#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 6.61 0.06 1.61 1.04 -1.26 -4.99 113.70 116.77 1x4k s SER 2 Ca 0.00 1.52 -0.24 0.00 0.48 0.00 0.00 55.95 57.71 1x4k s SER 2 Cb 0.00 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.52 1x4k s SER 2 CO 0.00 -1.08 0.72 -0.94 0.98 0.00 0.00 173.24 172.91 1x4k s SER 3 N 3.23 7.19 0.92 7.02 1.04 -1.26 -5.03 113.70 126.81 1x4k s SER 3 Ca 0.63 1.41 -0.15 0.00 0.48 0.00 0.00 55.95 58.33 1x4k s SER 3 Cb -0.22 -2.44 -0.03 0.00 0.10 0.00 0.00 66.02 63.43 1x4k s SER 3 CO 0.24 0.09 0.06 0.61 0.98 0.00 0.00 173.24 175.22 1x4k n GLY 4 N 2.19 -2.75 2.85 7.32 0.00 -1.26 -5.02 105.19 108.52 1x4k n GLY 4 Ca -0.05 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.62 0.09 -0.21 1.61 1.04 -1.26 -5.13 113.70 108.21 1x4k s SER 5 Ca 0.53 0.00 0.01 0.00 0.48 0.00 0.00 55.95 56.97 1x4k s SER 5 Cb -0.23 -0.04 0.05 0.00 0.10 0.00 0.00 66.02 65.90 1x4k s SER 5 CO 0.71 -0.04 -0.07 -0.44 0.98 0.00 0.00 173.24 174.38 1x4k s SER 6 N 0.35 3.50 0.22 7.02 0.01 -1.26 -5.12 113.70 118.41 1x4k s SER 6 Ca -0.03 -0.97 0.10 0.00 1.31 0.00 0.00 55.95 56.35 1x4k s SER 6 Cb -0.05 -1.15 -0.04 0.00 0.21 0.00 0.00 66.02 64.99 1x4k s SER 6 CO -0.01 -0.19 -0.10 -0.83 0.41 0.00 0.00 173.24 172.52 1x4k s GLY 7 N 1.44 1.73 0.69 3.44 0.00 -1.26 -2.44 107.32 110.92 1x4k s GLY 7 Ca -0.03 -1.60 -0.11 0.00 0.00 0.00 0.00 44.72 42.98 1x4k s GLY 7 CO -0.07 -1.64 1.07 0.00 0.00 0.00 0.00 173.10 172.46 1x4k n GLN 9 N -3.02 1.22 0.24 0.00 3.00 -0.76 -3.58 117.38 114.48 1x4k n GLN 9 Ca 0.07 0.04 -0.09 0.00 -0.01 0.00 0.00 57.00 57.00 1x4k n GLN 9 Cb 0.55 -1.27 -0.04 0.00 0.00 0.00 0.00 30.24 29.48 1x4k n GLN 9 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1x4k h GLU 10 N 0.00 -0.59 -0.35 -1.09 4.57 -1.92 -3.24 114.58 111.96 1x4k h GLU 10 Ca -0.30 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1x4k h GLU 10 Cb 1.55 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.28 1x4k h GLU 10 CO -0.02 -0.39 0.00 0.00 -1.18 0.00 0.00 179.01 177.42 1x4k n LYS 12 N 1.18 -3.10 -4.61 0.00 4.01 -1.22 -4.96 118.16 109.46 1x4k n LYS 12 Ca 0.19 0.37 -0.30 0.00 -0.51 0.00 0.00 58.31 58.06 1x4k n LYS 12 Cb 0.53 -4.61 -0.13 0.00 -0.51 0.00 0.00 35.03 30.31 1x4k n LYS 12 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1x4k s LYS 13 N -6.72 1.80 -0.11 1.97 -0.14 -1.25 -4.83 119.74 110.46 1x4k s LYS 13 Ca 0.20 -1.13 -0.29 0.00 -1.36 0.00 0.00 55.97 53.39 1x4k s LYS 13 Cb -0.11 -2.05 -0.07 0.00 -1.68 0.00 0.00 37.83 33.92 1x4k s LYS 13 CO 0.91 0.50 2.09 0.99 -0.76 0.00 0.00 175.35 179.08 1x4k s THR 14 N -0.96 3.03 -0.81 2.17 2.01 -1.26 -0.10 115.64 119.72 1x4k s THR 14 Ca 0.14 0.04 -0.25 0.00 0.31 0.00 0.00 61.69 61.93 1x4k s THR 14 Cb -0.10 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1x4k s THR 14 CO 0.05 -0.02 1.63 -0.63 -0.69 0.00 0.00 174.62 174.97 1x4k s ILE 15 N 6.50 3.60 0.69 1.82 1.01 -1.02 -4.87 121.20 128.94 1x4k s ILE 15 Ca 0.94 -0.11 -0.17 0.00 0.00 0.00 0.00 60.65 61.32 1x4k s ILE 15 Cb -0.37 -4.47 -0.09 0.00 0.01 0.00 0.00 42.46 37.53 1x4k s ILE 15 CO 0.38 -1.41 0.12 0.23 0.00 0.00 0.00 174.94 174.26 1x4k n MET 16 N 9.09 0.17 -1.18 2.79 2.81 -1.26 -4.85 117.12 124.69 1x4k n MET 16 Ca 0.24 0.08 -0.29 0.00 -1.81 0.00 0.00 57.70 55.91 1x4k n MET 16 Cb 0.50 -1.44 0.16 0.00 -0.71 0.00 0.00 33.22 31.73 1x4k n MET 16 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1x4k s PRO 17 N -2.07 0.72 0.00 0.03 0.04 -1.26 -3.94 135.00 128.52 1x4k s PRO 17 Ca 0.59 0.63 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1x4k s PRO 17 Cb -0.37 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1x4k s PRO 17 CO 0.64 -2.56 0.00 0.41 0.04 0.00 0.00 177.00 175.53 1x4k n GLY 18 N -1.10 1.64 3.62 0.56 0.00 -1.26 -4.96 105.19 103.70 1x4k n GLY 18 Ca 0.06 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1x4k n GLY 18 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1x4k n THR 19 N 0.00 2.60 -3.12 2.61 5.66 -1.25 -4.95 114.28 115.82 1x4k n THR 19 Ca 0.00 -0.33 -0.40 0.00 -3.05 0.00 0.00 64.05 60.27 1x4k n THR 19 Cb 0.00 -1.11 -0.06 0.00 -1.55 0.00 0.00 70.33 67.61 1x4k n THR 19 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1x4k s ARG 20 N -3.50 4.25 0.40 1.09 0.52 -1.26 -5.04 118.95 115.41 1x4k s ARG 20 Ca 0.73 0.65 0.07 0.00 -0.52 0.00 0.00 55.73 56.66 1x4k s ARG 20 Cb -0.33 -3.55 -0.07 0.00 0.52 0.00 0.00 34.95 31.51 1x4k s ARG 20 CO 0.51 -0.18 0.02 -1.59 0.02 0.00 0.00 175.30 174.07 1x4k s LYS 21 N 1.71 1.97 -0.32 3.54 -2.85 -1.26 -3.23 119.74 119.30 1x4k s LYS 21 Ca 0.30 -2.05 -0.02 0.00 -1.00 0.00 0.00 55.97 53.19 1x4k s LYS 21 Cb -0.16 -1.69 0.06 0.00 -2.06 0.00 0.00 37.83 33.98 1x4k s LYS 21 CO 0.11 -0.03 0.04 -1.64 0.10 0.00 0.00 175.35 173.93 1x4k s MET 22 N -3.72 2.39 -0.37 1.78 -1.94 -0.45 -4.91 119.30 112.08 1x4k s MET 22 Ca 0.35 -1.33 -0.22 0.00 -1.71 0.00 0.00 55.69 52.79 1x4k s MET 22 Cb 0.08 -3.27 0.01 0.00 2.01 0.00 0.00 34.83 33.66 1x4k s MET 22 CO 0.18 -0.69 0.70 -1.21 -0.01 0.00 0.00 175.02 174.00 1x4k s GLU 23 N 1.26 3.68 -0.06 2.03 2.02 -1.26 -1.34 118.70 125.03 1x4k s GLU 23 Ca -0.03 0.14 -0.01 0.00 0.02 0.00 0.00 54.97 55.09 1x4k s GLU 23 Cb -0.20 -3.82 0.03 0.00 0.10 0.00 0.00 34.13 30.24 1x4k s GLU 23 CO -0.01 -0.81 0.01 -0.47 0.02 0.00 0.00 175.26 174.00 1x4k s TYR 24 N 2.90 0.50 -1.74 1.61 6.14 0.11 -4.81 117.35 122.06 1x4k s TYR 24 Ca 0.27 -0.06 -0.01 0.00 0.64 0.00 0.00 57.07 57.92 1x4k s TYR 24 Cb -0.14 -0.69 0.00 0.00 0.42 0.00 0.00 41.96 41.56 1x4k s TYR 24 CO 0.16 -0.27 0.10 1.63 0.64 0.00 0.00 175.55 177.81 1x4k n LYS 25 N 5.03 -2.21 0.00 4.97 5.02 -1.26 -1.82 118.16 127.89 1x4k n LYS 25 Ca -0.09 0.99 0.00 0.00 -2.02 0.00 0.00 58.31 57.19 1x4k n LYS 25 Cb 0.50 -5.69 0.00 0.00 -0.02 0.00 0.00 35.03 29.82 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 -1.09 2.53 3.83 0.72 0.00 -1.26 -5.02 105.19 104.91 1x4k n GLY 26 Ca -0.22 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 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 0.15 5.27 0.23 1.61 0.01 -0.75 -5.01 113.70 115.20 1x4k s SER 27 Ca 0.00 1.42 0.10 0.00 1.31 0.00 0.00 55.95 58.78 1x4k s SER 27 Cb 0.00 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.91 1x4k s SER 27 CO 0.00 -1.49 -0.17 -0.44 0.41 0.00 0.00 173.24 171.55 1x4k s SER 28 N -3.98 2.99 -0.06 2.44 0.01 -1.25 0.04 113.70 113.89 1x4k s SER 28 Ca 0.58 -0.99 -0.03 0.00 1.31 0.00 0.00 55.95 56.82 1x4k s SER 28 Cb -0.13 -0.20 0.04 0.00 0.21 0.00 0.00 66.02 65.93 1x4k s SER 28 CO 0.54 -0.06 0.13 0.26 0.41 0.00 0.00 173.24 174.52 1x4k s TRP 29 N -2.62 -0.14 0.55 2.43 0.51 -0.45 -1.82 118.94 117.41 1x4k s TRP 29 Ca 0.24 0.45 -0.19 0.00 -2.12 0.00 0.00 56.10 54.48 1x4k s TRP 29 Cb -0.03 -0.14 -0.08 0.00 -0.81 0.00 0.00 33.47 32.40 1x4k s TRP 29 CO 0.10 -0.17 0.66 0.72 -0.51 0.00 0.00 176.95 177.74 1x4k n HIS 30 N 4.40 -0.21 0.34 -1.98 8.25 -1.26 -1.35 115.22 123.41 1x4k n HIS 30 Ca -0.23 0.46 0.19 0.00 -0.26 0.00 0.00 57.72 57.88 1x4k n HIS 30 Cb 0.51 -2.02 1.00 0.00 1.12 0.00 0.00 29.99 30.61 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 0.43 0.00 0.00 -0.41 4.11 -1.92 0.27 114.58 117.06 1x4k h GLU 31 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 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 -1.21 0.25 0.07 0.00 0.00 179.01 178.61 1x4k n THR 32 N -2.98 0.00 0.05 -1.06 -2.24 -1.26 -4.36 114.28 102.42 1x4k n THR 32 Ca -0.02 -0.23 0.03 0.00 -2.27 0.00 0.00 64.05 61.56 1x4k n THR 32 Cb 0.24 0.63 -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 -2.81 0.14 -0.50 0.00 7.35 0.16 -4.86 117.46 116.94 1x4k n PHE 34 Ca -0.07 -0.05 -0.29 0.00 -0.76 0.00 0.00 57.45 56.28 1x4k n PHE 34 Cb 0.76 -0.11 0.25 0.00 0.35 0.00 0.00 39.48 40.73 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 -0.02 0.00 -1.41 -2.13 -6.64 -1.25 -4.40 119.36 103.51 1x4k n ILE 35 Ca 0.02 -0.45 -0.29 0.00 -1.77 0.00 0.00 62.75 60.26 1x4k n ILE 35 Cb 0.28 -0.93 0.13 0.00 -1.44 0.00 0.00 39.64 37.68 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 -3.78 0.00 -0.10 0.00 8.25 -0.34 -3.26 115.22 115.98 1x4k n HIS 37 Ca 0.06 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.37 1x4k n HIS 37 Cb 0.57 -0.35 -0.05 0.00 1.12 0.00 0.00 29.99 31.29 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 0.55 0.04 -0.41 0.63 -1.26 -4.59 116.66 109.59 1x4k n ARG 38 Ca -0.02 0.22 0.12 0.00 -0.92 0.00 0.00 57.85 57.26 1x4k n ARG 38 Cb 0.47 -1.45 0.21 0.00 0.45 0.00 0.00 32.46 32.14 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 -1.91 -6.24 -4.83 0.00 1.13 -1.20 -4.93 117.38 99.40 1x4k n GLN 40 Ca 0.04 0.72 -0.30 0.00 -1.94 0.00 0.00 57.00 55.52 1x4k n GLN 40 Cb 0.41 -5.59 -0.14 0.00 0.11 0.00 0.00 30.24 25.02 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 -6.09 1.77 -1.14 -1.09 -0.21 -1.26 -4.63 119.66 107.01 1x4k s GLN 41 Ca 0.32 -1.13 -0.23 0.00 0.02 0.00 0.00 55.36 54.34 1x4k s GLN 41 Cb -0.15 -1.99 -0.08 0.00 1.00 0.00 0.00 33.01 31.79 1x4k s GLN 41 CO 0.78 0.51 1.94 -1.25 -2.12 0.00 0.00 175.29 175.14 1x4k s PRO 42 N -1.35 2.50 0.03 2.91 0.04 -1.26 0.31 135.00 138.18 1x4k s PRO 42 Ca 0.12 -1.04 -0.06 0.00 0.04 0.00 0.00 61.00 60.06 1x4k s PRO 42 Cb -0.10 -5.22 -0.01 0.00 0.04 0.00 0.00 34.50 29.21 1x4k s PRO 42 CO 0.03 -3.90 0.99 -0.89 0.04 0.00 0.00 177.00 173.27 1x4k n ILE 43 N 7.82 -0.14 0.00 0.56 5.41 -1.26 -4.84 119.36 126.90 1x4k n ILE 43 Ca 0.44 1.51 0.00 0.00 1.00 0.00 0.00 62.75 65.70 1x4k n ILE 43 Cb 0.47 -1.96 0.00 0.00 -0.71 0.00 0.00 39.64 37.43 1x4k n ILE 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1x4k n GLY 44 N -1.05 1.11 0.00 7.39 0.00 -1.26 -4.21 105.19 107.16 1x4k n GLY 44 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.88 2.61 -2.24 -1.26 -5.08 114.28 107.43 1x4k n THR 45 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 1x4k n THR 45 Cb 0.00 -0.20 -0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1x4k n THR 45 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1x4k n LYS 46 N -1.90 0.00 -1.71 -0.78 2.85 -1.26 -4.53 118.16 110.83 1x4k n LYS 46 Ca 0.00 0.00 -0.63 0.00 -1.05 0.00 0.00 58.31 56.63 1x4k n LYS 46 Cb 0.20 -0.67 -0.09 0.00 -0.65 0.00 0.00 35.03 33.82 1x4k n LYS 46 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1x4k n SER 47 N 1.57 1.55 -3.77 -5.58 7.64 -1.26 -4.94 113.62 108.83 1x4k n SER 47 Ca 0.08 1.15 -0.13 0.00 1.01 0.00 0.00 58.87 60.97 1x4k n SER 47 Cb 0.27 -0.98 -0.11 0.00 -1.01 0.00 0.00 64.21 62.37 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 2.90 -0.31 -0.51 1.43 -0.71 -1.26 -3.75 117.98 115.77 1x4k s PHE 48 Ca 1.01 0.74 -0.18 0.00 -1.04 0.00 0.00 56.93 57.46 1x4k s PHE 48 Cb -1.32 0.11 0.08 0.00 -1.21 0.00 0.00 43.02 40.67 1x4k s PHE 48 CO 0.74 -0.17 0.55 0.42 -1.34 0.00 0.00 175.22 175.42 1x4k s ILE 49 N 0.05 5.01 -0.12 -4.49 1.09 0.53 -4.93 121.20 118.34 1x4k s ILE 49 Ca -0.01 -0.84 -0.29 0.00 -1.10 0.00 0.00 60.65 58.41 1x4k s ILE 49 Cb -0.02 -4.27 -0.04 0.00 -1.06 0.00 0.00 42.46 37.06 1x4k s ILE 49 CO 0.01 -0.78 1.54 -2.16 -0.10 0.00 0.00 174.94 173.44 1x4k s PRO 50 N 2.23 4.12 0.43 2.79 0.04 -1.26 -2.00 135.00 141.35 1x4k s PRO 50 Ca 0.10 1.94 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 1x4k s PRO 50 Cb -0.23 -3.93 -0.07 0.00 0.04 0.00 0.00 34.50 30.31 1x4k s PRO 50 CO 0.09 -0.89 0.82 0.21 0.04 0.00 0.00 177.00 177.26 1x4k s LYS 51 N 4.01 3.81 0.03 4.56 2.47 0.38 -4.95 119.74 130.05 1x4k s LYS 51 Ca 0.68 0.57 -0.06 0.00 -1.56 0.00 0.00 55.97 55.60 1x4k s LYS 51 Cb -0.28 -2.33 -0.01 0.00 -1.46 0.00 0.00 37.83 33.74 1x4k s LYS 51 CO 0.25 -0.10 0.76 -0.25 0.16 0.00 0.00 175.35 176.18 1x4k n ASP 52 N -1.39 -0.22 -0.50 1.43 8.00 -1.26 -1.82 116.55 120.79 1x4k n ASP 52 Ca 0.03 0.81 0.07 0.00 0.71 0.00 0.00 54.79 56.41 1x4k n ASP 52 Cb 0.54 -0.27 0.19 0.00 -0.02 0.00 0.00 41.12 41.56 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 -3.33 1.92 -3.12 -2.24 4.13 -1.26 -5.04 115.26 106.32 1x4k n ASN 53 Ca 0.00 -3.69 -0.12 0.00 1.68 0.00 0.00 54.58 52.45 1x4k n ASN 53 Cb 0.05 -0.51 -0.01 0.00 -1.54 0.00 0.00 39.78 37.77 1x4k n ASN 53 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1x4k s GLN 54 N -3.15 2.05 -0.04 3.52 -0.21 -0.76 -5.17 119.66 115.91 1x4k s GLN 54 Ca 0.37 -1.61 0.00 0.00 0.02 0.00 0.00 55.36 54.15 1x4k s GLN 54 Cb 0.35 0.53 0.03 0.00 1.00 0.00 0.00 33.01 34.91 1x4k s GLN 54 CO -0.04 -0.90 -0.01 -0.80 -2.12 0.00 0.00 175.29 171.41 1x4k s ASN 55 N -3.16 0.69 -0.03 5.90 -0.87 -1.26 0.14 114.94 116.35 1x4k s ASN 55 Ca 0.24 -0.06 0.00 0.00 -1.57 0.00 0.00 52.86 51.47 1x4k s ASN 55 Cb -0.03 -0.30 0.03 0.00 -0.02 0.00 0.00 41.25 40.93 1x4k s ASN 55 CO 0.16 -0.10 0.00 -0.36 -2.57 0.00 0.00 177.10 174.24 1x4k s PHE 56 N 1.09 0.32 0.95 2.20 0.08 -0.85 -1.20 117.98 120.57 1x4k s PHE 56 Ca -0.09 0.00 -0.16 0.00 0.12 0.00 0.00 56.93 56.81 1x4k s PHE 56 Cb -0.14 -0.43 0.24 0.00 -0.57 0.00 0.00 43.02 42.13 1x4k s PHE 56 CO -0.01 -0.14 0.63 0.00 -0.10 0.00 0.00 175.22 175.60 1x4k h VAL 58 N -2.90 1.03 0.00 0.00 2.07 -1.92 0.41 116.25 114.94 1x4k h VAL 58 Ca -0.27 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 1x4k h VAL 58 Cb 0.89 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1x4k h VAL 58 CO 0.17 0.14 -0.16 1.55 0.02 0.00 0.00 177.57 179.29 1x4k h PRO 59 N -0.44 0.00 0.00 1.57 0.13 -1.92 -2.54 132.00 128.80 1x4k h PRO 59 Ca -0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1x4k h PRO 59 Cb 0.36 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.49 1x4k h PRO 59 CO 0.03 0.16 -0.37 0.00 -0.23 0.00 0.00 178.00 177.59 1x4k h TYR 61 N -1.00 -1.07 -0.90 0.00 3.20 -0.27 -0.68 116.97 116.25 1x4k h TYR 61 Ca -0.00 0.05 0.25 0.00 3.14 0.00 0.00 58.73 62.17 1x4k h TYR 61 Cb 0.37 0.50 -0.15 0.00 1.54 0.00 0.00 36.73 39.00 1x4k h TYR 61 CO -0.16 -0.43 0.23 0.93 -1.64 0.00 0.00 178.16 177.09 1x4k h GLU 62 N -0.40 0.17 -0.03 1.82 4.39 -1.62 0.17 114.58 119.08 1x4k h GLU 62 Ca 0.11 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1x4k h GLU 62 Cb 0.58 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1x4k h GLU 62 CO -0.44 0.11 0.02 0.87 -1.16 0.00 0.00 179.01 178.41 1x4k h LYS 63 N 0.17 0.04 -0.05 2.33 1.57 -1.25 0.37 116.57 119.75 1x4k h LYS 63 Ca 0.58 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.39 1x4k h LYS 63 Cb 1.20 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.45 1x4k h LYS 63 CO -0.70 0.05 -0.30 1.96 -0.57 0.00 0.00 179.45 179.89 1x4k h GLN 64 N 0.02 -0.40 -0.46 3.15 1.08 -0.06 -1.54 115.11 116.90 1x4k h GLN 64 Ca 0.01 0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1x4k h GLN 64 Cb 0.02 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1x4k h GLN 64 CO -0.00 -0.27 0.29 1.25 -0.95 0.00 0.00 178.83 179.15 1x4k h HIS 65 N -0.42 0.54 -3.31 2.96 2.76 -1.20 -3.32 115.15 113.17 1x4k h HIS 65 Ca 0.08 0.01 -0.67 0.00 -2.20 0.00 0.00 60.37 57.59 1x4k h HIS 65 Cb 0.53 -0.18 -0.38 0.00 1.55 0.00 0.00 27.41 28.93 1x4k h HIS 65 CO -0.35 0.33 -0.35 0.00 -1.30 0.00 0.00 177.93 176.26 1x4k s ALA 66 N -6.15 3.88 -0.35 5.26 0.00 0.11 -5.06 121.76 119.45 1x4k s ALA 66 Ca -0.13 -3.66 -0.42 0.00 0.00 0.00 0.00 51.96 47.75 1x4k s ALA 66 Cb 0.12 -2.53 -0.18 0.00 0.00 0.00 0.00 23.12 20.52 1x4k s ALA 66 CO 0.73 -2.11 1.36 0.45 0.00 0.00 0.00 175.76 176.19 1x4k n SER 67 N 2.55 0.85 -0.06 0.00 2.88 -0.63 -4.51 113.62 114.69 1x4k n SER 67 Ca 0.16 1.09 -0.06 0.00 -1.33 0.00 0.00 58.87 58.74 1x4k n SER 67 Cb 0.36 -0.82 -0.04 0.00 -0.75 0.00 0.00 64.21 62.96 1x4k n SER 67 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1x4k h GLY 68 N 4.17 -1.58 -4.02 0.46 0.00 -1.93 -3.40 103.07 96.76 1x4k h GLY 68 Ca -0.42 0.79 -0.52 0.00 0.00 0.00 0.00 47.33 47.18 1x4k h GLY 68 CO 0.83 -0.49 0.61 2.56 0.00 0.00 0.00 176.54 180.04 1x4k s PRO 69 N -4.06 4.44 -0.16 4.80 0.04 -1.26 -4.97 135.00 133.82 1x4k s PRO 69 Ca -0.06 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.85 1x4k s PRO 69 Cb 0.03 -3.15 -0.23 0.00 0.04 0.00 0.00 34.50 31.19 1x4k s PRO 69 CO 0.25 -0.12 0.37 0.66 0.04 0.00 0.00 177.00 178.19 1x4k h SER 70 N 4.34 0.16 -4.09 6.66 4.64 -2.00 -3.48 113.55 119.78 1x4k h SER 70 Ca -0.47 -0.71 -0.45 0.00 -0.47 0.00 0.00 61.79 59.70 1x4k h SER 70 Cb 1.22 -0.05 0.16 0.00 -0.31 0.00 0.00 62.40 63.41 1x4k h SER 70 CO 0.71 1.55 0.42 -0.44 -0.87 0.00 0.00 176.83 178.20 1x4k s SER 71 N -6.88 3.28 0.00 4.97 0.01 -1.26 -5.17 113.70 108.65 1x4k s SER 71 Ca -0.25 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1x4k s SER 71 Cb 0.05 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.86 1x4k s SER 71 CO 0.67 -2.63 0.00 0.61 0.41 0.00 0.00 173.24 172.30