#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 -0.04 -0.04 1.61 0.15 -1.26 -5.16 113.70 108.95 1x4k s SER 2 Ca 0.00 -0.38 -0.01 0.00 0.70 0.00 0.00 55.95 56.26 1x4k s SER 2 Cb 0.00 0.36 0.03 0.00 -1.71 0.00 0.00 66.02 64.70 1x4k s SER 2 CO 0.00 -0.68 0.02 -0.44 1.20 0.00 0.00 173.24 173.34 1x4k s SER 3 N -2.44 0.90 0.00 5.45 0.01 -1.26 -4.97 113.70 111.40 1x4k s SER 3 Ca -0.01 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1x4k s SER 3 Cb 0.01 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1x4k s SER 3 CO -0.07 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1x4k n GLY 4 N 4.77 -0.00 3.48 3.44 0.00 -1.26 -5.10 105.19 110.52 1x4k n GLY 4 Ca -0.14 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 1x4k n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4k s SER 5 N 0.00 6.23 0.00 1.61 1.04 -1.26 -4.80 113.70 116.51 1x4k s SER 5 Ca 0.00 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1x4k s SER 5 Cb 0.00 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1x4k s SER 5 CO 0.00 -1.40 0.00 -0.24 0.98 0.00 0.00 173.24 172.58 1x4k n SER 6 N 7.74 0.00 -1.36 7.02 2.88 -1.26 -5.15 113.62 123.49 1x4k n SER 6 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1x4k n SER 6 Cb 0.46 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1x4k n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4k n GLY 7 N 3.53 -4.61 3.36 0.46 0.00 -1.26 -4.81 105.19 101.86 1x4k n GLY 7 Ca 0.00 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.55 1.24 0.00 0.00 1.13 0.05 -3.61 117.38 114.64 1x4k n GLN 9 Ca 0.05 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 1x4k n GLN 9 Cb 0.56 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.59 1x4k n GLN 9 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1x4k n GLU 10 N -2.70 0.00 0.11 -1.09 4.07 -1.26 -3.92 120.64 115.85 1x4k n GLU 10 Ca -0.24 0.45 0.12 0.00 -0.06 0.00 0.00 57.16 57.43 1x4k n GLU 10 Cb 0.86 -1.34 0.23 0.00 -0.06 0.00 0.00 31.44 31.13 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 -2.40 -5.05 -4.61 0.00 4.76 -1.24 -5.02 118.16 104.61 1x4k n LYS 12 Ca 0.04 0.57 -0.34 0.00 -2.87 0.00 0.00 58.31 55.71 1x4k n LYS 12 Cb 0.47 -4.80 -0.12 0.00 -1.84 0.00 0.00 35.03 28.74 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 -5.79 3.04 -0.35 1.97 -0.14 -1.26 -4.78 119.74 112.42 1x4k s LYS 13 Ca 0.37 -0.57 -0.34 0.00 -1.36 0.00 0.00 55.97 54.06 1x4k s LYS 13 Cb -0.16 -2.66 -0.11 0.00 -1.68 0.00 0.00 37.83 33.22 1x4k s LYS 13 CO 0.45 0.50 2.21 2.41 -0.76 0.00 0.00 175.35 180.16 1x4k n THR 14 N 2.71 0.19 -2.40 2.17 -1.04 -1.26 -1.76 114.28 112.89 1x4k n THR 14 Ca -0.18 -0.28 -0.43 0.00 -2.04 0.00 0.00 64.05 61.12 1x4k n THR 14 Cb 0.53 -1.71 -0.02 0.00 -1.82 0.00 0.00 70.33 67.31 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 7.53 4.19 0.68 12.58 1.01 -1.26 -4.90 121.20 141.03 1x4k s ILE 15 Ca 1.09 1.40 -0.15 0.00 0.00 0.00 0.00 60.65 62.99 1x4k s ILE 15 Cb -0.82 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 37.64 1x4k s ILE 15 CO 0.48 -0.26 1.16 -0.04 0.00 0.00 0.00 174.94 176.27 1x4k s MET 16 N 3.81 2.53 0.00 2.79 -1.94 -1.26 -4.79 119.30 120.44 1x4k s MET 16 Ca 0.56 1.60 0.15 0.00 -1.71 0.00 0.00 55.69 56.30 1x4k s MET 16 Cb -0.20 -1.90 0.84 0.00 2.01 0.00 0.00 34.83 35.58 1x4k s MET 16 CO 0.19 -1.50 1.37 -0.35 -0.01 0.00 0.00 175.02 174.72 1x4k n PRO 17 N -2.45 0.35 -0.01 2.03 -0.04 -1.26 -3.71 135.00 129.92 1x4k n PRO 17 Ca 0.12 0.07 -0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1x4k n PRO 17 Cb 0.51 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 2.43 0.00 -2.11 0.55 0.00 -2.02 -3.47 103.07 98.44 1x4k h GLY 18 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1x4k h GLY 18 CO 0.00 0.00 -0.11 -0.37 0.00 0.00 0.00 176.54 176.06 1x4k n THR 19 N -2.64 1.77 -3.10 4.70 5.66 -1.24 -4.93 114.28 114.50 1x4k n THR 19 Ca -0.01 -0.30 -0.43 0.00 -3.05 0.00 0.00 64.05 60.26 1x4k n THR 19 Cb 0.03 -0.93 -0.07 0.00 -1.55 0.00 0.00 70.33 67.81 1x4k n THR 19 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x4k s ARG 20 N -3.43 3.26 0.57 1.09 1.70 -1.26 -4.90 118.95 115.99 1x4k s ARG 20 Ca 0.68 -0.42 0.01 0.00 -0.47 0.00 0.00 55.73 55.52 1x4k s ARG 20 Cb -0.31 -3.97 0.04 0.00 -0.57 0.00 0.00 34.95 30.14 1x4k s ARG 20 CO 0.56 -1.06 0.80 -1.59 -1.08 0.00 0.00 175.30 172.93 1x4k s LYS 21 N 2.86 2.48 -0.30 3.89 -2.85 -1.26 -2.92 119.74 121.64 1x4k s LYS 21 Ca 0.22 -0.77 0.01 0.00 -1.00 0.00 0.00 55.97 54.43 1x4k s LYS 21 Cb -0.15 -2.46 0.06 0.00 -2.06 0.00 0.00 37.83 33.23 1x4k s LYS 21 CO 0.18 -0.78 -0.03 -1.64 0.10 0.00 0.00 175.35 173.19 1x4k s MET 22 N -4.81 2.21 -0.33 1.78 -1.94 0.08 -4.88 119.30 111.41 1x4k s MET 22 Ca 0.58 -1.41 -0.23 0.00 -1.71 0.00 0.00 55.69 52.92 1x4k s MET 22 Cb -0.10 -3.09 0.00 0.00 2.01 0.00 0.00 34.83 33.65 1x4k s MET 22 CO 0.39 -0.67 0.76 -1.21 -0.01 0.00 0.00 175.02 174.29 1x4k s GLU 23 N 1.14 3.87 -0.06 2.03 2.02 -1.26 -1.59 118.70 124.85 1x4k s GLU 23 Ca -0.04 0.44 -0.02 0.00 0.02 0.00 0.00 54.97 55.36 1x4k s GLU 23 Cb -0.20 -3.76 0.03 0.00 0.10 0.00 0.00 34.13 30.30 1x4k s GLU 23 CO -0.04 -0.73 0.06 -0.47 0.02 0.00 0.00 175.26 174.11 1x4k s TYR 24 N 2.96 0.07 -1.44 1.61 6.14 0.36 -4.84 117.35 122.22 1x4k s TYR 24 Ca 0.31 0.19 -0.05 0.00 0.64 0.00 0.00 57.07 58.17 1x4k s TYR 24 Cb -0.14 -0.50 0.01 0.00 0.42 0.00 0.00 41.96 41.74 1x4k s TYR 24 CO 0.14 -0.23 0.63 1.63 0.64 0.00 0.00 175.55 178.36 1x4k n LYS 25 N 5.30 -4.92 0.00 4.97 5.02 -1.26 -1.98 118.16 125.28 1x4k n LYS 25 Ca -0.03 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 1x4k n LYS 25 Cb 0.50 -5.61 0.00 0.00 -0.02 0.00 0.00 35.03 29.90 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 -1.53 2.28 3.83 0.72 0.00 -1.26 -4.99 105.19 104.24 1x4k n GLY 26 Ca -0.10 -0.11 -0.31 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 0.20 5.69 0.15 1.61 0.01 -0.84 -5.04 113.70 115.48 1x4k s SER 27 Ca 0.00 1.59 0.10 0.00 1.31 0.00 0.00 55.95 58.95 1x4k s SER 27 Cb 0.00 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.70 1x4k s SER 27 CO 0.00 -1.23 -0.23 -0.94 0.41 0.00 0.00 173.24 171.25 1x4k s SER 28 N -3.75 3.04 -0.06 2.44 1.04 -1.26 -0.48 113.70 114.66 1x4k s SER 28 Ca 0.58 -0.79 -0.03 0.00 0.48 0.00 0.00 55.95 56.20 1x4k s SER 28 Cb -0.13 -0.20 0.04 0.00 0.10 0.00 0.00 66.02 65.83 1x4k s SER 28 CO 0.52 0.09 0.13 0.26 0.98 0.00 0.00 173.24 175.22 1x4k s TRP 29 N -1.43 -0.12 0.49 5.02 0.51 -0.62 -0.77 118.94 122.01 1x4k s TRP 29 Ca 0.14 0.47 -0.21 0.00 -2.12 0.00 0.00 56.10 54.39 1x4k s TRP 29 Cb -0.09 -0.21 -0.11 0.00 -0.81 0.00 0.00 33.47 32.26 1x4k s TRP 29 CO 0.07 -0.20 0.58 0.72 -0.51 0.00 0.00 176.95 177.61 1x4k n HIS 30 N 4.75 -0.41 0.11 -1.98 8.25 -1.26 -0.74 115.22 123.94 1x4k n HIS 30 Ca -0.16 0.52 0.15 0.00 -0.26 0.00 0.00 57.72 57.98 1x4k n HIS 30 Cb 0.51 -2.00 0.37 0.00 1.12 0.00 0.00 29.99 29.99 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 0.63 0.00 0.00 -0.41 4.11 -1.87 -1.39 114.58 115.65 1x4k h GLU 31 Ca -0.43 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.81 1x4k h GLU 31 Cb 1.39 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 1x4k h GLU 31 CO 0.50 0.00 -1.50 0.25 0.07 0.00 0.00 179.01 178.33 1x4k n THR 32 N -2.98 1.27 0.06 -1.06 -2.24 -1.26 -4.47 114.28 103.60 1x4k n THR 32 Ca 0.09 -0.06 0.16 0.00 -2.27 0.00 0.00 64.05 61.97 1x4k n THR 32 Cb 1.05 -1.95 0.31 0.00 -2.10 0.00 0.00 70.33 67.64 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 -2.96 0.25 -0.36 0.00 7.35 -0.62 -4.84 117.46 116.28 1x4k n PHE 34 Ca 0.11 -0.32 -0.29 0.00 -0.76 0.00 0.00 57.45 56.20 1x4k n PHE 34 Cb 1.18 -0.22 0.28 0.00 0.35 0.00 0.00 39.48 41.07 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 0.18 0.00 -1.82 -2.13 -6.64 0.36 -4.21 119.36 105.10 1x4k n ILE 35 Ca 0.04 -0.27 -0.30 0.00 -1.77 0.00 0.00 62.75 60.45 1x4k n ILE 35 Cb 0.46 -0.98 0.06 0.00 -1.44 0.00 0.00 39.64 37.74 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 -3.12 0.03 -0.02 0.00 8.25 -0.58 -3.20 115.22 116.59 1x4k n HIS 37 Ca 0.07 0.01 -0.03 0.00 -0.26 0.00 0.00 57.72 57.51 1x4k n HIS 37 Cb 0.57 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.54 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 0.19 0.00 -0.41 0.63 -1.26 -4.68 116.66 109.55 1x4k n ARG 38 Ca 0.04 0.08 0.14 0.00 -0.92 0.00 0.00 57.85 57.18 1x4k n ARG 38 Cb 0.35 -0.76 0.57 0.00 0.45 0.00 0.00 32.46 33.08 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 -1.45 -4.92 -4.58 0.00 3.00 -1.20 -4.91 117.38 103.32 1x4k n GLN 40 Ca 0.08 0.57 -0.29 0.00 -0.01 0.00 0.00 57.00 57.35 1x4k n GLN 40 Cb 0.33 -5.23 -0.14 0.00 0.00 0.00 0.00 30.24 25.20 1x4k n GLN 40 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1x4k s GLN 41 N -6.37 1.53 -1.03 -1.09 -1.52 -1.26 -4.62 119.66 105.31 1x4k s GLN 41 Ca 0.32 -1.24 -0.24 0.00 -1.95 0.00 0.00 55.36 52.25 1x4k s GLN 41 Cb -0.16 -1.89 -0.06 0.00 -0.22 0.00 0.00 33.01 30.67 1x4k s GLN 41 CO 0.83 0.46 1.94 -1.25 -0.25 0.00 0.00 175.29 177.03 1x4k s PRO 42 N -1.73 2.54 0.01 2.91 0.04 -1.26 0.50 135.00 138.00 1x4k s PRO 42 Ca 0.13 -0.68 -0.02 0.00 0.04 0.00 0.00 61.00 60.46 1x4k s PRO 42 Cb -0.10 -5.14 -0.01 0.00 0.04 0.00 0.00 34.50 29.29 1x4k s PRO 42 CO 0.04 -3.64 1.04 0.82 0.04 0.00 0.00 177.00 175.31 1x4k h ILE 43 N 6.78 0.00 0.00 0.56 2.04 -1.88 -3.46 117.51 121.54 1x4k h ILE 43 Ca 0.15 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.01 1x4k h ILE 43 Cb 0.98 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 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 -1.02 1.14 0.00 5.37 0.00 -1.26 -4.16 105.19 105.26 1x4k n GLY 44 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 -1.03 2.61 -2.24 -1.26 -5.07 114.28 107.28 1x4k n THR 45 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1x4k n THR 45 Cb 0.00 -0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 67.69 1x4k n THR 45 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1x4k n LYS 46 N -1.72 0.00 -1.47 -0.78 5.02 -1.26 -4.58 118.16 113.37 1x4k n LYS 46 Ca 0.00 0.00 -0.53 0.00 -2.02 0.00 0.00 58.31 55.76 1x4k n LYS 46 Cb 0.31 -1.01 -0.08 0.00 -0.02 0.00 0.00 35.03 34.23 1x4k n LYS 46 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x4k n SER 47 N 1.25 2.00 -4.41 4.39 7.64 -1.26 -4.93 113.62 118.30 1x4k n SER 47 Ca 0.15 0.59 -0.21 0.00 1.01 0.00 0.00 58.87 60.41 1x4k n SER 47 Cb 0.04 -1.19 -0.10 0.00 -1.01 0.00 0.00 64.21 61.95 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 6.33 1.95 -0.43 1.43 -0.71 -1.26 -3.86 117.98 121.42 1x4k s PHE 48 Ca 1.09 -0.57 -0.13 0.00 -1.04 0.00 0.00 56.93 56.28 1x4k s PHE 48 Cb -0.99 -0.98 0.06 0.00 -1.21 0.00 0.00 43.02 39.90 1x4k s PHE 48 CO 0.55 0.41 0.31 0.42 -1.34 0.00 0.00 175.22 175.57 1x4k s ILE 49 N -2.88 4.80 -0.15 -4.49 1.09 0.15 -4.94 121.20 114.78 1x4k s ILE 49 Ca 0.27 -1.11 -0.29 0.00 -1.10 0.00 0.00 60.65 58.41 1x4k s ILE 49 Cb 0.00 -3.84 -0.03 0.00 -1.06 0.00 0.00 42.46 37.52 1x4k s ILE 49 CO 0.11 -0.48 1.56 -2.16 -0.10 0.00 0.00 174.94 173.86 1x4k s PRO 50 N 1.56 4.02 0.40 2.79 0.04 -1.26 -2.15 135.00 140.40 1x4k s PRO 50 Ca 0.03 1.86 -0.10 0.00 0.04 0.00 0.00 61.00 62.83 1x4k s PRO 50 Cb -0.23 -3.96 -0.06 0.00 0.04 0.00 0.00 34.50 30.29 1x4k s PRO 50 CO 0.05 -1.01 0.76 0.21 0.04 0.00 0.00 177.00 177.05 1x4k s LYS 51 N 4.21 3.78 0.03 4.56 2.47 0.33 -4.96 119.74 130.16 1x4k s LYS 51 Ca 0.69 0.46 -0.07 0.00 -1.56 0.00 0.00 55.97 55.49 1x4k s LYS 51 Cb -0.27 -2.40 -0.02 0.00 -1.46 0.00 0.00 37.83 33.68 1x4k s LYS 51 CO 0.26 -0.02 0.74 -0.25 0.16 0.00 0.00 175.35 176.25 1x4k n ASP 52 N -1.25 -0.23 -0.53 1.43 9.92 -1.26 -1.85 116.55 122.78 1x4k n ASP 52 Ca 0.02 0.80 0.07 0.00 -0.53 0.00 0.00 54.79 55.15 1x4k n ASP 52 Cb 0.54 -0.26 0.19 0.00 -0.64 0.00 0.00 41.12 40.95 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 -3.37 1.79 -2.93 -2.24 5.15 -1.26 -5.04 115.26 107.36 1x4k n ASN 53 Ca 0.00 -3.64 -0.12 0.00 -0.60 0.00 0.00 54.58 50.22 1x4k n ASN 53 Cb 0.06 -0.50 -0.00 0.00 -0.53 0.00 0.00 39.78 38.81 1x4k n ASN 53 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x4k n GLN 54 N -1.11 0.91 -3.84 1.20 6.02 -0.77 -5.18 117.38 114.61 1x4k n GLN 54 Ca 0.18 -2.59 -0.13 0.00 -0.01 0.00 0.00 57.00 54.45 1x4k n GLN 54 Cb 0.70 2.78 -0.14 0.00 1.02 0.00 0.00 30.24 34.59 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 -3.16 -0.01 -0.06 1.08 -0.87 -1.26 0.12 114.94 110.78 1x4k s ASN 55 Ca 0.24 0.06 -0.06 0.00 -1.57 0.00 0.00 52.86 51.52 1x4k s ASN 55 Cb -0.03 0.04 0.02 0.00 -0.02 0.00 0.00 41.25 41.26 1x4k s ASN 55 CO 0.17 -0.03 0.18 -0.36 -2.57 0.00 0.00 177.10 174.48 1x4k s PHE 56 N 0.24 -0.17 0.91 2.20 0.08 -0.91 -1.52 117.98 118.80 1x4k s PHE 56 Ca -0.02 0.42 -0.15 0.00 0.12 0.00 0.00 56.93 57.30 1x4k s PHE 56 Cb -0.03 0.06 0.22 0.00 -0.57 0.00 0.00 43.02 42.70 1x4k s PHE 56 CO -0.01 -0.12 0.86 0.00 -0.10 0.00 0.00 175.22 175.85 1x4k h VAL 58 N -2.32 1.27 0.00 0.00 2.07 -1.93 0.29 116.25 115.63 1x4k h VAL 58 Ca -0.32 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1x4k h VAL 58 Cb 0.95 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1x4k h VAL 58 CO 0.21 0.21 0.00 -0.81 0.02 0.00 0.00 177.57 177.20 1x4k n PRO 59 N -4.90 0.15 -0.07 1.57 -0.04 -1.26 -2.86 135.00 127.58 1x4k n PRO 59 Ca -0.08 0.39 -0.07 0.00 -0.04 0.00 0.00 63.50 63.70 1x4k n PRO 59 Cb 0.19 -1.79 -0.02 0.00 -0.04 0.00 0.00 33.50 31.83 1x4k n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x4k h TYR 61 N -0.87 0.51 -0.71 0.00 3.20 -0.51 0.67 116.97 119.26 1x4k h TYR 61 Ca 0.00 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.92 1x4k h TYR 61 Cb 0.78 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 1x4k h TYR 61 CO -0.33 -0.13 0.45 0.93 -1.64 0.00 0.00 178.16 177.44 1x4k h GLU 62 N 0.15 0.85 0.23 1.82 5.08 -1.73 -2.67 114.58 118.30 1x4k h GLU 62 Ca 0.76 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 59.08 1x4k h GLU 62 Cb 2.35 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 31.38 1x4k h GLU 62 CO -0.35 0.56 -0.31 0.87 -1.00 0.00 0.00 179.01 178.77 1x4k h LYS 63 N 0.88 -0.58 -0.63 2.33 6.56 0.18 -0.00 116.57 125.30 1x4k h LYS 63 Ca 0.28 0.04 0.13 0.00 -1.06 0.00 0.00 60.65 60.04 1x4k h LYS 63 Cb 0.01 0.13 -0.11 0.00 -0.57 0.00 0.00 32.23 31.69 1x4k h LYS 63 CO -0.11 -0.39 -0.05 1.96 -2.06 0.00 0.00 179.45 178.81 1x4k h GLN 64 N -0.60 0.07 -1.06 3.15 4.20 -1.45 0.75 115.11 120.17 1x4k h GLN 64 Ca 0.01 -0.00 -0.64 0.00 0.06 0.00 0.00 58.65 58.07 1x4k h GLN 64 Cb 0.58 -0.02 -0.27 0.00 0.30 0.00 0.00 27.48 28.07 1x4k h GLN 64 CO -0.12 0.05 0.82 0.72 -0.67 0.00 0.00 178.83 179.63 1x4k n HIS 65 N -5.34 3.03 -0.12 2.96 8.25 -0.98 -4.44 115.22 118.59 1x4k n HIS 65 Ca 0.09 -2.90 -0.26 0.00 -0.26 0.00 0.00 57.72 54.39 1x4k n HIS 65 Cb 0.36 -1.40 -0.10 0.00 1.12 0.00 0.00 29.99 29.97 1x4k n HIS 65 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x4k n ALA 66 N -0.77 1.04 -3.06 -1.41 0.00 0.26 -4.89 120.51 111.68 1x4k n ALA 66 Ca 0.59 -0.88 -0.37 0.00 0.00 0.00 0.00 53.44 52.77 1x4k n ALA 66 Cb 0.66 -0.09 -0.12 0.00 0.00 0.00 0.00 19.45 19.89 1x4k n ALA 66 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1x4k s SER 67 N -7.19 5.24 0.00 0.00 1.04 -1.26 -5.01 113.70 106.52 1x4k s SER 67 Ca -0.35 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1x4k s SER 67 Cb 0.11 -1.93 0.00 0.00 0.10 0.00 0.00 66.02 64.31 1x4k s SER 67 CO 0.51 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.20 1x4k n GLY 68 N 4.92 0.17 3.77 7.32 0.00 -1.26 -4.83 105.19 115.28 1x4k n GLY 68 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.03 2.88 -1.46 1.61 0.04 -1.26 -3.60 135.00 133.18 1x4k s PRO 69 Ca 0.00 1.42 -0.10 0.00 0.04 0.00 0.00 61.00 62.36 1x4k s PRO 69 Cb 0.00 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.64 1x4k s PRO 69 CO 0.00 -1.19 0.93 0.43 0.04 0.00 0.00 177.00 177.21 1x4k n SER 70 N -2.26 -4.02 -3.59 6.66 7.64 -1.26 -4.96 113.62 111.83 1x4k n SER 70 Ca 0.11 -0.77 -0.13 0.00 1.01 0.00 0.00 58.87 59.09 1x4k n SER 70 Cb 0.52 -4.03 -0.06 0.00 -1.01 0.00 0.00 64.21 59.62 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 -3.58 -0.54 0.00 6.43 0.15 -1.24 -5.15 113.70 109.77 1x4k s SER 71 Ca 0.49 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.96 1x4k s SER 71 Cb -0.24 0.76 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1x4k s SER 71 CO 0.82 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.53