#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 0.10 -4.58 1.61 3.41 -1.26 -4.75 113.62 108.14 1x4k n SER 2 Ca 0.00 -1.04 -0.42 0.00 -0.26 0.00 0.00 58.87 57.16 1x4k n SER 2 Cb 0.00 -1.30 -0.03 0.00 -0.26 0.00 0.00 64.21 62.62 1x4k n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x4k s SER 3 N -3.74 5.77 0.14 4.04 0.01 -1.26 -4.97 113.70 113.69 1x4k s SER 3 Ca 0.21 0.94 0.02 0.00 1.31 0.00 0.00 55.95 58.43 1x4k s SER 3 Cb -0.12 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.60 1x4k s SER 3 CO 0.82 -1.87 0.17 0.61 0.41 0.00 0.00 173.24 173.38 1x4k n GLY 4 N 5.45 2.28 0.34 3.44 0.00 -1.26 -5.08 105.19 110.36 1x4k n GLY 4 Ca 0.21 -2.17 -0.20 0.00 0.00 0.00 0.00 46.02 43.86 1x4k n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4k n SER 5 N -2.55 1.53 -4.79 1.61 2.88 -1.26 -5.02 113.62 106.02 1x4k n SER 5 Ca 0.03 0.26 -0.31 0.00 -1.33 0.00 0.00 58.87 57.52 1x4k n SER 5 Cb 0.15 -0.63 0.06 0.00 -0.75 0.00 0.00 64.21 63.05 1x4k n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4k s SER 6 N -6.72 5.04 -0.14 -3.46 1.04 -1.26 -4.99 113.70 103.20 1x4k s SER 6 Ca -0.28 1.74 -0.08 0.00 0.48 0.00 0.00 55.95 57.81 1x4k s SER 6 Cb 0.10 -2.51 0.05 0.00 0.10 0.00 0.00 66.02 63.76 1x4k s SER 6 CO 0.36 -1.68 0.33 -0.83 0.98 0.00 0.00 173.24 172.41 1x4k s GLY 7 N -3.46 -0.24 0.89 7.32 0.00 -1.26 -2.37 107.32 108.20 1x4k s GLY 7 Ca 0.60 1.24 -0.11 0.00 0.00 0.00 0.00 44.72 46.45 1x4k s GLY 7 CO 0.53 1.40 1.10 0.00 0.00 0.00 0.00 173.10 176.13 1x4k n GLN 9 N -3.99 1.06 0.00 0.00 1.13 -0.67 -3.64 117.38 111.28 1x4k n GLN 9 Ca 0.09 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 1x4k n GLN 9 Cb 0.53 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.55 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 -2.76 0.00 0.02 -1.09 0.00 -1.26 -3.72 120.64 111.83 1x4k n GLU 10 Ca -0.26 0.36 0.13 0.00 0.00 0.00 0.00 57.16 57.39 1x4k n GLU 10 Cb 0.86 -1.31 0.44 0.00 0.00 0.00 0.00 31.44 31.44 1x4k n GLU 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x4k n LYS 12 N -1.69 -6.92 -5.18 0.00 4.76 -1.24 -5.01 118.16 102.89 1x4k n LYS 12 Ca 0.06 0.82 -0.32 0.00 -2.87 0.00 0.00 58.31 56.01 1x4k n LYS 12 Cb 0.36 -5.80 -0.16 0.00 -1.84 0.00 0.00 35.03 27.60 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 -5.64 2.70 -0.39 1.97 -0.14 -1.26 -4.84 119.74 112.15 1x4k s LYS 13 Ca 0.19 -0.86 -0.39 0.00 -1.36 0.00 0.00 55.97 53.55 1x4k s LYS 13 Cb -0.08 -2.25 -0.14 0.00 -1.68 0.00 0.00 37.83 33.67 1x4k s LYS 13 CO 0.71 0.36 2.10 2.41 -0.76 0.00 0.00 175.35 180.18 1x4k n THR 14 N 3.03 0.14 -2.41 2.17 -1.04 -1.26 -1.77 114.28 113.13 1x4k n THR 14 Ca -0.18 -0.15 -0.43 0.00 -2.04 0.00 0.00 64.05 61.26 1x4k n THR 14 Cb 0.52 -1.21 -0.02 0.00 -1.82 0.00 0.00 70.33 67.80 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 6.32 4.25 0.54 12.58 1.01 -1.00 -4.86 121.20 140.04 1x4k s ILE 15 Ca 1.11 1.52 -0.18 0.00 0.00 0.00 0.00 60.65 63.11 1x4k s ILE 15 Cb -1.10 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 37.33 1x4k s ILE 15 CO 0.57 -0.11 1.04 -0.04 0.00 0.00 0.00 174.94 176.39 1x4k s MET 16 N 3.32 3.60 0.07 2.79 -1.94 -1.26 -4.41 119.30 121.47 1x4k s MET 16 Ca 0.55 1.22 0.17 0.00 -1.71 0.00 0.00 55.69 55.92 1x4k s MET 16 Cb -0.23 -2.07 0.70 0.00 2.01 0.00 0.00 34.83 35.24 1x4k s MET 16 CO 0.16 -0.58 1.52 -0.35 -0.01 0.00 0.00 175.02 175.76 1x4k n PRO 17 N -1.56 0.05 -0.80 2.03 -0.04 -1.26 -3.36 135.00 130.07 1x4k n PRO 17 Ca 0.09 0.30 -0.13 0.00 -0.04 0.00 0.00 63.50 63.72 1x4k n PRO 17 Cb 0.53 -1.60 0.03 0.00 -0.04 0.00 0.00 33.50 32.42 1x4k n PRO 17 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x4k n GLY 18 N -0.04 3.75 3.56 0.55 0.00 -1.26 -4.83 105.19 106.92 1x4k n GLY 18 Ca 0.03 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 1x4k n GLY 18 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x4k s THR 19 N -1.83 0.00 -0.24 2.61 -1.32 -1.21 -5.14 115.64 108.50 1x4k s THR 19 Ca 0.25 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.51 1x4k s THR 19 Cb 0.20 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.17 1x4k s THR 19 CO -0.00 0.00 0.72 0.00 -2.21 0.00 0.00 174.62 173.13 1x4k s ARG 20 N -1.40 4.16 0.29 7.08 1.70 -1.26 -4.95 118.95 124.57 1x4k s ARG 20 Ca -0.02 0.75 0.08 0.00 -0.47 0.00 0.00 55.73 56.07 1x4k s ARG 20 Cb -0.00 -3.63 -0.03 0.00 -0.57 0.00 0.00 34.95 30.71 1x4k s ARG 20 CO 0.01 -0.43 0.20 -1.59 -1.08 0.00 0.00 175.30 172.40 1x4k s LYS 21 N 2.55 2.71 -0.44 3.89 -2.85 -1.26 -2.78 119.74 121.56 1x4k s LYS 21 Ca 0.31 -1.24 -0.12 0.00 -1.00 0.00 0.00 55.97 53.91 1x4k s LYS 21 Cb -0.15 -2.43 0.08 0.00 -2.06 0.00 0.00 37.83 33.26 1x4k s LYS 21 CO 0.08 0.26 0.32 -1.64 0.10 0.00 0.00 175.35 174.48 1x4k s MET 22 N -3.87 2.79 -0.38 1.78 -1.94 -0.07 -4.88 119.30 112.72 1x4k s MET 22 Ca 0.36 -1.40 -0.25 0.00 -1.71 0.00 0.00 55.69 52.69 1x4k s MET 22 Cb -0.06 -3.95 0.02 0.00 2.01 0.00 0.00 34.83 32.84 1x4k s MET 22 CO 0.25 -0.99 0.87 -1.21 -0.01 0.00 0.00 175.02 173.93 1x4k s GLU 23 N 1.53 3.75 -0.11 2.03 2.02 -1.26 -1.57 118.70 125.10 1x4k s GLU 23 Ca 0.03 0.40 -0.03 0.00 0.02 0.00 0.00 54.97 55.40 1x4k s GLU 23 Cb -0.24 -3.83 0.04 0.00 0.10 0.00 0.00 34.13 30.21 1x4k s GLU 23 CO 0.04 -0.96 0.07 -0.47 0.02 0.00 0.00 175.26 173.96 1x4k s TYR 24 N 3.39 0.23 -1.12 1.61 6.14 0.11 -4.84 117.35 122.86 1x4k s TYR 24 Ca 0.35 -0.09 -0.07 0.00 0.64 0.00 0.00 57.07 57.91 1x4k s TYR 24 Cb -0.12 -0.63 0.01 0.00 0.42 0.00 0.00 41.96 41.64 1x4k s TYR 24 CO 0.19 -0.36 0.92 1.63 0.64 0.00 0.00 175.55 178.57 1x4k n LYS 25 N 5.26 -6.26 0.00 4.97 5.02 -1.26 -2.24 118.16 123.66 1x4k n LYS 25 Ca -0.05 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1x4k n LYS 25 Cb 0.49 -5.25 0.00 0.00 -0.02 0.00 0.00 35.03 30.25 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 -1.70 2.56 3.89 0.72 0.00 -1.26 -4.98 105.19 104.41 1x4k n GLY 26 Ca -0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.16 5.87 0.15 1.61 0.01 -0.95 -5.04 113.70 115.50 1x4k s SER 27 Ca 0.00 1.16 0.07 0.00 1.31 0.00 0.00 55.95 58.48 1x4k s SER 27 Cb 0.00 -2.14 -0.04 0.00 0.21 0.00 0.00 66.02 64.05 1x4k s SER 27 CO 0.00 -1.03 -0.15 -0.44 0.41 0.00 0.00 173.24 172.04 1x4k s SER 28 N -4.25 2.21 -0.06 2.44 0.01 -1.26 0.04 113.70 112.83 1x4k s SER 28 Ca 0.55 -0.88 -0.02 0.00 1.31 0.00 0.00 55.95 56.91 1x4k s SER 28 Cb -0.11 -0.09 0.04 0.00 0.21 0.00 0.00 66.02 66.07 1x4k s SER 28 CO 0.51 -0.15 0.12 0.26 0.41 0.00 0.00 173.24 174.39 1x4k s TRP 29 N -2.38 -0.11 0.31 2.43 0.51 -0.61 -1.67 118.94 117.42 1x4k s TRP 29 Ca 0.13 0.44 -0.26 0.00 -2.12 0.00 0.00 56.10 54.29 1x4k s TRP 29 Cb -0.04 -0.20 -0.14 0.00 -0.81 0.00 0.00 33.47 32.28 1x4k s TRP 29 CO 0.04 -0.18 0.75 0.72 -0.51 0.00 0.00 176.95 177.77 1x4k n HIS 30 N 4.62 0.31 -0.33 -1.98 8.25 -1.26 -0.89 115.22 123.94 1x4k n HIS 30 Ca -0.18 0.74 0.33 0.00 -0.26 0.00 0.00 57.72 58.34 1x4k n HIS 30 Cb 0.51 -2.10 0.51 0.00 1.12 0.00 0.00 29.99 30.02 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 0.74 0.01 -0.09 -0.41 0.28 -1.12 -1.21 120.64 118.84 1x4k n GLU 31 Ca 0.12 0.99 -0.10 0.00 -0.16 0.00 0.00 57.16 58.01 1x4k n GLU 31 Cb 0.33 -2.42 -0.03 0.00 1.43 0.00 0.00 31.44 30.74 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 -3.33 1.49 -0.07 3.84 -2.24 -1.26 -4.07 114.28 108.64 1x4k n THR 32 Ca 0.28 0.10 0.20 0.00 -2.27 0.00 0.00 64.05 62.36 1x4k n THR 32 Cb 1.59 -2.31 0.31 0.00 -2.10 0.00 0.00 70.33 67.82 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 -3.03 0.15 -0.42 0.00 7.35 -0.42 -4.86 117.46 116.23 1x4k n PHE 34 Ca 0.17 -0.25 -0.12 0.00 -0.76 0.00 0.00 57.45 56.49 1x4k n PHE 34 Cb 1.39 -0.19 0.12 0.00 0.35 0.00 0.00 39.48 41.14 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 0.17 0.00 -2.45 -2.13 -6.64 0.45 -4.23 119.36 104.53 1x4k n ILE 35 Ca 0.02 0.00 -0.25 0.00 -1.77 0.00 0.00 62.75 60.75 1x4k n ILE 35 Cb 0.41 -0.39 0.04 0.00 -1.44 0.00 0.00 39.64 38.26 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 -2.57 0.00 -0.03 0.00 8.25 -0.29 -3.14 115.22 117.45 1x4k n HIS 37 Ca 0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.44 1x4k n HIS 37 Cb 0.58 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.74 0.21 0.00 -0.41 0.63 -1.26 -4.72 116.66 110.36 1x4k n ARG 38 Ca 0.07 0.09 0.12 0.00 -0.92 0.00 0.00 57.85 57.20 1x4k n ARG 38 Cb 0.40 -0.86 0.21 0.00 0.45 0.00 0.00 32.46 32.66 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 -0.17 -3.91 -4.40 0.00 1.13 -1.19 -4.88 117.38 103.96 1x4k n GLN 40 Ca 0.12 0.45 -0.31 0.00 -1.94 0.00 0.00 57.00 55.32 1x4k n GLN 40 Cb 0.42 -5.03 -0.11 0.00 0.11 0.00 0.00 30.24 25.63 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 -6.68 2.29 -1.08 -1.09 -0.21 -1.26 -4.54 119.66 107.09 1x4k s GLN 41 Ca 0.45 -0.89 -0.23 0.00 0.02 0.00 0.00 55.36 54.70 1x4k s GLN 41 Cb -0.24 -2.36 -0.07 0.00 1.00 0.00 0.00 33.01 31.34 1x4k s GLN 41 CO 0.88 0.55 1.94 -1.25 -2.12 0.00 0.00 175.29 175.30 1x4k s PRO 42 N -1.75 2.51 0.14 2.91 0.04 -1.26 0.47 135.00 138.07 1x4k s PRO 42 Ca 0.18 -0.86 -0.30 0.00 0.04 0.00 0.00 61.00 60.07 1x4k s PRO 42 Cb -0.11 -5.18 -0.05 0.00 0.04 0.00 0.00 34.50 29.20 1x4k s PRO 42 CO 0.10 -3.78 1.56 0.82 0.04 0.00 0.00 177.00 175.74 1x4k h ILE 43 N 6.56 0.06 0.00 0.56 2.04 -1.82 -3.47 117.51 121.44 1x4k h ILE 43 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.03 1x4k h ILE 43 Cb 0.96 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 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 -1.40 1.29 2.55 5.37 0.00 -1.26 -4.08 105.19 107.66 1x4k n GLY 44 Ca -0.02 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 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 1.68 -3.83 2.61 -2.24 -1.26 -4.97 114.28 106.27 1x4k n THR 45 Ca 0.00 -3.45 -0.23 0.00 -2.27 0.00 0.00 64.05 58.10 1x4k n THR 45 Cb 0.00 0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 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 -3.65 2.37 -0.45 -0.78 -2.85 -1.26 -5.02 119.74 108.10 1x4k s LYS 46 Ca 0.35 -1.75 -0.33 0.00 -1.00 0.00 0.00 55.97 53.24 1x4k s LYS 46 Cb 0.37 -2.18 -0.12 0.00 -2.06 0.00 0.00 37.83 33.84 1x4k s LYS 46 CO -0.02 -0.25 2.29 0.43 0.10 0.00 0.00 175.35 177.90 1x4k n SER 47 N -1.48 1.95 -3.81 0.03 7.64 -1.26 -4.90 113.62 111.78 1x4k n SER 47 Ca 0.01 0.24 -0.12 0.00 1.01 0.00 0.00 58.87 60.00 1x4k n SER 47 Cb 0.63 -1.27 -0.11 0.00 -1.01 0.00 0.00 64.21 62.45 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 8.29 -0.15 -0.52 1.43 -0.71 -1.26 -3.84 117.98 121.21 1x4k s PHE 48 Ca 1.11 0.35 -0.18 0.00 -1.04 0.00 0.00 56.93 57.17 1x4k s PHE 48 Cb -0.79 0.05 0.08 0.00 -1.21 0.00 0.00 43.02 41.14 1x4k s PHE 48 CO 0.45 -0.19 0.57 0.42 -1.34 0.00 0.00 175.22 175.13 1x4k s ILE 49 N -0.46 4.98 -0.13 -4.49 1.09 0.15 -4.94 121.20 117.40 1x4k s ILE 49 Ca -0.06 -0.81 -0.29 0.00 -1.10 0.00 0.00 60.65 58.39 1x4k s ILE 49 Cb -0.04 -4.29 -0.04 0.00 -1.06 0.00 0.00 42.46 37.03 1x4k s ILE 49 CO 0.01 -0.81 1.55 -2.16 -0.10 0.00 0.00 174.94 173.42 1x4k s PRO 50 N 2.31 4.08 0.44 2.79 0.04 -1.26 -2.23 135.00 141.17 1x4k s PRO 50 Ca 0.11 1.90 -0.13 0.00 0.04 0.00 0.00 61.00 62.92 1x4k s PRO 50 Cb -0.22 -3.95 -0.07 0.00 0.04 0.00 0.00 34.50 30.30 1x4k s PRO 50 CO 0.09 -0.95 0.85 0.21 0.04 0.00 0.00 177.00 177.24 1x4k s LYS 51 N 4.10 3.86 0.03 4.56 2.47 0.21 -4.95 119.74 130.02 1x4k s LYS 51 Ca 0.68 0.67 -0.06 0.00 -1.56 0.00 0.00 55.97 55.70 1x4k s LYS 51 Cb -0.28 -2.29 -0.01 0.00 -1.46 0.00 0.00 37.83 33.78 1x4k s LYS 51 CO 0.26 -0.12 0.78 -0.25 0.16 0.00 0.00 175.35 176.18 1x4k n ASP 52 N -1.36 -0.21 -0.53 1.43 8.00 -1.26 -1.86 116.55 120.76 1x4k n ASP 52 Ca 0.04 0.83 0.06 0.00 0.71 0.00 0.00 54.79 56.43 1x4k n ASP 52 Cb 0.54 -0.28 0.19 0.00 -0.02 0.00 0.00 41.12 41.55 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 -3.32 1.97 -2.71 -2.24 5.15 -1.26 -5.04 115.26 107.81 1x4k n ASN 53 Ca 0.00 -3.69 -0.11 0.00 -0.60 0.00 0.00 54.58 50.18 1x4k n ASN 53 Cb 0.05 -0.52 -0.01 0.00 -0.53 0.00 0.00 39.78 38.77 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 -1.18 0.74 -3.71 1.20 6.02 -0.78 -5.17 117.38 114.50 1x4k n GLN 54 Ca 0.20 -2.33 -0.17 0.00 -0.01 0.00 0.00 57.00 54.68 1x4k n GLN 54 Cb 0.71 2.41 -0.16 0.00 1.02 0.00 0.00 30.24 34.22 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 -2.90 0.54 -0.03 1.08 -0.87 -1.26 0.64 114.94 112.15 1x4k s ASN 55 Ca 0.22 0.15 0.02 0.00 -1.57 0.00 0.00 52.86 51.68 1x4k s ASN 55 Cb -0.02 0.01 0.01 0.00 -0.02 0.00 0.00 41.25 41.23 1x4k s ASN 55 CO 0.16 -0.20 -0.08 -0.36 -2.57 0.00 0.00 177.10 174.06 1x4k s PHE 56 N 1.70 0.85 0.85 2.20 0.08 -0.95 -1.14 117.98 121.59 1x4k s PHE 56 Ca -0.02 -0.21 -0.14 0.00 0.12 0.00 0.00 56.93 56.68 1x4k s PHE 56 Cb -0.12 -0.63 0.22 0.00 -0.57 0.00 0.00 43.02 41.92 1x4k s PHE 56 CO -0.04 -0.11 0.61 0.00 -0.10 0.00 0.00 175.22 175.58 1x4k h VAL 58 N -2.69 0.95 0.00 0.00 2.07 -1.93 0.28 116.25 114.93 1x4k h VAL 58 Ca -0.25 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1x4k h VAL 58 Cb 0.81 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1x4k h VAL 58 CO 0.16 0.16 0.00 1.55 0.02 0.00 0.00 177.57 179.46 1x4k h PRO 59 N -0.59 0.00 0.01 1.57 0.13 -1.93 -2.62 132.00 128.57 1x4k h PRO 59 Ca -0.02 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.83 1x4k h PRO 59 Cb 0.44 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 -1.52 0.00 -0.23 0.00 0.00 178.00 176.28 1x4k h TYR 61 N -0.89 0.28 -0.30 0.00 3.20 -0.45 -0.89 116.97 117.91 1x4k h TYR 61 Ca -0.41 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.53 1x4k h TYR 61 Cb 1.42 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.58 1x4k h TYR 61 CO 0.07 0.16 0.21 0.93 -1.64 0.00 0.00 178.16 177.89 1x4k h GLU 62 N 0.29 0.10 0.72 1.82 5.08 -1.64 0.40 114.58 121.34 1x4k h GLU 62 Ca 0.14 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1x4k h GLU 62 Cb 0.19 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.42 1x4k h GLU 62 CO -0.03 0.07 -0.34 0.87 -1.00 0.00 0.00 179.01 178.57 1x4k h LYS 63 N 0.10 -0.93 0.32 2.33 6.56 -1.34 -2.27 116.57 121.35 1x4k h LYS 63 Ca 0.14 0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.78 1x4k h LYS 63 Cb 0.43 0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.30 1x4k h LYS 63 CO -0.02 -0.62 -0.16 -0.56 -2.06 0.00 0.00 179.45 176.04 1x4k h GLN 64 N -1.22 -0.42 -0.73 3.15 3.07 -1.56 -3.30 115.11 114.10 1x4k h GLN 64 Ca -0.10 0.03 0.07 0.00 0.09 0.00 0.00 58.65 58.74 1x4k h GLN 64 Cb 0.74 0.10 -0.10 0.00 0.08 0.00 0.00 27.48 28.29 1x4k h GLN 64 CO 0.16 -0.09 -0.56 1.25 0.09 0.00 0.00 178.83 179.68 1x4k h HIS 65 N -0.83 -1.76 -3.39 0.06 2.76 -0.34 -3.38 115.15 108.26 1x4k h HIS 65 Ca -0.04 0.11 -0.55 0.00 -2.20 0.00 0.00 60.37 57.68 1x4k h HIS 65 Cb 0.52 0.86 -0.04 0.00 1.55 0.00 0.00 27.41 30.30 1x4k h HIS 65 CO 0.03 -0.41 0.13 0.00 -1.30 0.00 0.00 177.93 176.38 1x4k s ALA 66 N -5.50 3.36 0.32 5.26 0.00 -0.85 -5.06 121.76 119.28 1x4k s ALA 66 Ca -0.13 0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.10 1x4k s ALA 66 Cb 0.10 -2.98 -0.06 0.00 0.00 0.00 0.00 23.12 20.17 1x4k s ALA 66 CO 0.60 0.01 0.06 -1.12 0.00 0.00 0.00 175.76 175.30 1x4k s SER 67 N 0.25 2.35 -0.23 0.00 0.01 -1.26 -4.66 113.70 110.15 1x4k s SER 67 Ca 0.38 -1.38 -0.27 0.00 1.31 0.00 0.00 55.95 56.00 1x4k s SER 67 Cb -0.19 -0.08 0.12 0.00 0.21 0.00 0.00 66.02 66.08 1x4k s SER 67 CO 0.21 -0.61 0.99 -0.83 0.41 0.00 0.00 173.24 173.41 1x4k s GLY 68 N -3.48 -0.23 0.10 3.44 0.00 -1.26 -5.02 107.32 100.87 1x4k s GLY 68 Ca 0.37 2.38 0.18 0.00 0.00 0.00 0.00 44.72 47.65 1x4k s GLY 68 CO 0.16 1.55 1.55 -1.55 0.00 0.00 0.00 173.10 174.81 1x4k n PRO 69 N 1.74 0.07 -1.92 2.90 -0.04 -1.26 -4.76 135.00 131.74 1x4k n PRO 69 Ca -0.12 0.32 -0.29 0.00 -0.04 0.00 0.00 63.50 63.37 1x4k n PRO 69 Cb 0.56 -1.64 0.11 0.00 -0.04 0.00 0.00 33.50 32.49 1x4k n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4k s SER 70 N -3.48 4.21 -1.53 3.54 0.15 -1.26 -4.01 113.70 111.32 1x4k s SER 70 Ca 0.06 0.66 -0.15 0.00 0.70 0.00 0.00 55.95 57.21 1x4k s SER 70 Cb 0.09 -1.05 0.15 0.00 -1.71 0.00 0.00 66.02 63.50 1x4k s SER 70 CO 0.31 -2.08 0.38 -1.54 1.20 0.00 0.00 173.24 171.51 1x4k n SER 71 N -3.41 -0.98 0.00 5.45 3.41 -1.26 -5.21 113.62 111.63 1x4k n SER 71 Ca 0.10 -1.06 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 1x4k n SER 71 Cb 0.61 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 1x4k n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49