#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4t n SER 2 N 0.00 -4.90 -4.16 1.61 2.88 -1.26 -4.99 113.62 102.79 1x4t n SER 2 Ca 0.00 -0.65 -0.26 0.00 -1.33 0.00 0.00 58.87 56.63 1x4t n SER 2 Cb 0.00 -4.62 -0.16 0.00 -0.75 0.00 0.00 64.21 58.69 1x4t n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4t s SER 3 N -3.54 2.23 0.46 -3.46 0.15 -1.26 -5.15 113.70 103.14 1x4t s SER 3 Ca 0.48 -0.36 0.02 0.00 0.70 0.00 0.00 55.95 56.80 1x4t s SER 3 Cb -0.23 -0.49 -0.02 0.00 -1.71 0.00 0.00 66.02 63.57 1x4t s SER 3 CO 0.77 0.19 0.05 -0.83 1.20 0.00 0.00 173.24 174.61 1x4t s GLY 4 N -0.15 2.83 -0.24 9.45 0.00 -1.26 -5.16 107.32 112.79 1x4t s GLY 4 Ca 0.00 -0.83 -0.28 0.00 0.00 0.00 0.00 44.72 43.61 1x4t s GLY 4 CO 0.01 -2.06 1.15 -1.35 0.00 0.00 0.00 173.10 170.86 1x4t s SER 5 N -3.76 -0.27 -0.30 1.64 1.04 -1.26 -5.17 113.70 105.62 1x4t s SER 5 Ca 0.14 0.40 -0.12 0.00 0.48 0.00 0.00 55.95 56.86 1x4t s SER 5 Cb 0.03 0.37 0.14 0.00 0.10 0.00 0.00 66.02 66.65 1x4t s SER 5 CO 0.08 -0.18 0.75 -0.55 0.98 0.00 0.00 173.24 174.32 1x4t s SER 6 N -0.55 -0.97 0.00 7.02 0.15 -1.26 -5.13 113.70 112.96 1x4t s SER 6 Ca 0.03 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.03 1x4t s SER 6 Cb -0.03 2.05 0.00 0.00 -1.71 0.00 0.00 66.02 66.33 1x4t s SER 6 CO -0.05 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1x4t n GLY 7 N 5.20 -0.53 2.90 9.45 0.00 -1.26 -5.04 105.19 115.90 1x4t n GLY 7 Ca -0.12 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1x4t n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x4t s LYS 8 N -0.40 2.04 0.39 1.61 2.47 -1.26 -5.10 119.74 119.50 1x4t s LYS 8 Ca 0.00 -2.79 -0.23 0.00 -1.56 0.00 0.00 55.97 51.39 1x4t s LYS 8 Cb 0.00 -3.21 -0.14 0.00 -1.46 0.00 0.00 37.83 33.03 1x4t s LYS 8 CO 0.00 -1.18 0.48 1.33 0.16 0.00 0.00 175.35 176.14 1x4t n VAL 9 N 2.77 1.59 -3.52 4.02 0.24 -1.26 -4.99 118.33 117.18 1x4t n VAL 9 Ca 0.11 -0.50 -0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1x4t n VAL 9 Cb 0.34 -0.42 -0.05 0.00 -1.47 0.00 0.00 33.84 32.24 1x4t n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1x4t s LYS 10 N -1.42 0.38 0.09 7.34 2.20 -1.26 -5.18 119.74 121.89 1x4t s LYS 10 Ca 0.62 0.83 0.00 0.00 -0.36 0.00 0.00 55.97 57.07 1x4t s LYS 10 Cb -0.64 0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 36.01 1x4t s LYS 10 CO 0.59 -0.11 -0.02 -2.00 -0.36 0.00 0.00 175.35 173.45 1x4t s GLU 11 N 2.14 0.79 -0.18 4.03 2.56 -1.26 -5.15 118.70 121.63 1x4t s GLU 11 Ca -0.05 -1.33 -0.07 0.00 0.00 0.00 0.00 54.97 53.51 1x4t s GLU 11 Cb -0.06 0.03 -0.04 0.00 2.00 0.00 0.00 34.13 36.06 1x4t s GLU 11 CO -0.17 -0.11 0.06 0.50 -0.56 0.00 0.00 175.26 174.98 1x4t s ARG 12 N -3.92 3.92 0.33 4.30 3.00 -1.26 -5.08 118.95 120.24 1x4t s ARG 12 Ca 0.13 -0.33 -0.29 0.00 -1.00 0.00 0.00 55.73 54.24 1x4t s ARG 12 Cb 0.07 -3.20 -0.10 0.00 0.00 0.00 0.00 34.95 31.72 1x4t s ARG 12 CO -0.05 0.32 1.32 0.50 0.00 0.00 0.00 175.30 177.39 1x4t s ARG 13 N 0.25 4.34 0.00 5.12 3.52 -1.26 -5.03 118.95 125.89 1x4t s ARG 13 Ca 0.04 2.23 0.00 0.00 -0.13 0.00 0.00 55.73 57.87 1x4t s ARG 13 Cb -0.12 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 1x4t s ARG 13 CO 0.00 -0.21 0.00 -0.35 -0.81 0.00 0.00 175.30 173.93 1x4t n PRO 14 N 0.91 0.27 0.00 5.12 -0.04 -1.26 -5.03 135.00 134.97 1x4t n PRO 14 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1x4t n PRO 14 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 1x4t n PRO 14 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1x4t n PHE 15 N -1.23 0.00 -4.02 0.54 7.35 -1.26 -4.99 117.46 113.85 1x4t n PHE 15 Ca 0.00 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.35 1x4t n PHE 15 Cb 0.00 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.68 1x4t n PHE 15 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1x4t s LEU 16 N -2.79 2.68 0.53 -2.13 1.43 -1.26 -4.98 118.68 112.15 1x4t s LEU 16 Ca 0.00 -0.69 0.22 0.00 -1.03 0.00 0.00 54.13 52.63 1x4t s LEU 16 Cb 0.00 -1.60 1.43 0.00 0.03 0.00 0.00 46.19 46.05 1x4t s LEU 16 CO 0.00 -0.05 2.13 0.00 0.23 0.00 0.00 176.35 178.66 1x4t h ALA 17 N 7.99 1.63 -0.03 4.21 0.00 -1.94 -1.55 119.26 129.58 1x4t h ALA 17 Ca -0.40 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 1x4t h ALA 17 Cb 1.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1x4t h ALA 17 CO 0.60 0.08 -0.55 1.03 0.00 0.00 0.00 179.25 180.42 1x4t h SER 18 N 0.00 0.10 -0.52 0.00 0.87 -1.95 -3.04 113.55 109.01 1x4t h SER 18 Ca -0.00 -0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.45 1x4t h SER 18 Cb 0.14 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 1x4t h SER 18 CO 0.01 0.63 0.12 -0.33 -0.53 0.00 0.00 176.83 176.72 1x4t h GLU 19 N 0.07 0.89 -6.21 2.24 4.39 -1.70 -3.38 114.58 110.88 1x4t h GLU 19 Ca -0.00 -0.20 -0.56 0.00 0.34 0.00 0.00 59.36 58.94 1x4t h GLU 19 Cb 0.99 -0.13 -0.09 0.00 -0.10 0.00 0.00 28.75 29.42 1x4t h GLU 19 CO 0.08 0.82 1.06 0.00 -1.16 0.00 0.00 179.01 179.81 1x4t n THR 21 N 6.39 1.52 -3.82 0.00 -2.24 -1.26 -4.83 114.28 110.04 1x4t n THR 21 Ca 0.07 -0.76 -0.36 0.00 -2.27 0.00 0.00 64.05 60.72 1x4t n THR 21 Cb 0.49 -0.41 -0.12 0.00 -2.10 0.00 0.00 70.33 68.19 1x4t n THR 21 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x4t s GLU 22 N -1.92 3.66 0.05 -0.78 2.02 -1.26 -5.00 118.70 115.46 1x4t s GLU 22 Ca 0.29 -0.48 -0.24 0.00 0.02 0.00 0.00 54.97 54.56 1x4t s GLU 22 Cb 0.22 -3.27 -0.17 0.00 0.10 0.00 0.00 34.13 31.01 1x4t s GLU 22 CO 0.08 -0.13 1.56 1.25 0.02 0.00 0.00 175.26 178.04 1x4t h LEU 23 N 8.03 -0.02 0.00 1.80 5.85 -1.92 -2.40 115.31 126.65 1x4t h LEU 23 Ca -0.38 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1x4t h LEU 23 Cb 1.17 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1x4t h LEU 23 CO 0.59 0.16 0.00 -0.81 -0.34 0.00 0.00 178.44 178.04 1x4t n PRO 24 N -5.02 0.12 -0.01 5.25 -0.04 -1.26 -2.83 135.00 131.21 1x4t n PRO 24 Ca -0.08 0.19 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 1x4t n PRO 24 Cb 0.12 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.94 1x4t n PRO 24 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1x4t h LYS 25 N 0.00 0.22 0.00 0.54 1.79 -1.87 -3.32 116.57 113.93 1x4t h LYS 25 Ca 0.00 -0.37 -0.07 0.00 -2.18 0.00 0.00 60.65 58.04 1x4t h LYS 25 Cb 0.18 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 1x4t h LYS 25 CO 0.00 1.18 -0.32 0.00 -1.08 0.00 0.00 179.45 179.23 1x4t h ALA 26 N -0.07 1.27 -0.01 3.86 0.00 -1.28 -1.92 119.26 121.10 1x4t h ALA 26 Ca -0.38 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.13 1x4t h ALA 26 Cb 1.83 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 1x4t h ALA 26 CO 0.02 0.40 -0.52 0.93 0.00 0.00 0.00 179.25 180.09 1x4t h GLU 27 N 0.00 0.04 0.01 0.00 5.08 -1.68 0.10 114.58 118.13 1x4t h GLU 27 Ca -0.00 -0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 58.08 1x4t h GLU 27 Cb 0.65 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1x4t h GLU 27 CO 0.04 0.55 -1.33 1.57 -1.00 0.00 0.00 179.01 178.84 1x4t h LYS 28 N 0.03 0.03 0.00 2.33 2.10 -1.56 -3.19 116.57 116.30 1x4t h LYS 28 Ca -0.00 -0.04 -0.18 0.00 -2.00 0.00 0.00 60.65 58.42 1x4t h LYS 28 Cb 0.93 0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 32.24 1x4t h LYS 28 CO 0.07 0.82 -0.97 -1.49 -2.00 0.00 0.00 179.45 175.88 1x4t h TRP 29 N 0.01 0.00 -0.24 0.07 -0.00 -1.25 -2.90 115.95 111.64 1x4t h TRP 29 Ca -0.14 0.00 -0.11 0.00 -0.00 0.00 0.00 58.89 58.65 1x4t h TRP 29 Cb 1.89 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 31.05 1x4t h TRP 29 CO 0.01 0.80 -0.26 -0.09 -0.00 0.00 0.00 178.44 178.90 1x4t h ARG 30 N 0.00 0.60 -0.11 0.49 1.12 -0.90 -2.89 114.38 112.69 1x4t h ARG 30 Ca -0.05 -0.33 -0.15 0.00 -1.11 0.00 0.00 59.98 58.34 1x4t h ARG 30 Cb 1.66 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.63 1x4t h ARG 30 CO 0.10 0.92 -0.58 0.07 -3.11 0.00 0.00 179.97 177.37 1x4t h ARG 31 N 0.30 0.35 -0.97 0.20 0.11 -1.66 -3.04 114.38 109.67 1x4t h ARG 31 Ca 0.03 -0.23 0.01 0.00 0.10 0.00 0.00 59.98 59.89 1x4t h ARG 31 Cb 0.83 0.03 -0.05 0.00 1.11 0.00 0.00 29.97 31.89 1x4t h ARG 31 CO 0.06 0.83 0.64 0.37 0.10 0.00 0.00 179.97 181.97 1x4t h GLN 32 N 0.26 1.28 -0.27 0.08 5.75 -1.48 -2.17 115.11 118.56 1x4t h GLN 32 Ca -0.00 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.37 1x4t h GLN 32 Cb 1.10 -0.29 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 1x4t h GLN 32 CO 0.10 0.85 -0.00 0.82 -2.65 0.00 0.00 178.83 177.94 1x4t h ILE 33 N 1.31 1.26 -0.79 2.39 2.04 -1.45 -2.88 117.51 119.40 1x4t h ILE 33 Ca 0.35 -0.92 0.08 0.00 1.00 0.00 0.00 64.86 65.37 1x4t h ILE 33 Cb -0.14 1.34 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 1x4t h ILE 33 CO -0.08 0.29 0.45 0.40 0.00 0.00 0.00 178.15 179.21 1x4t h ILE 34 N 0.25 0.93 -0.13 -0.67 2.04 -1.37 -0.75 117.51 117.81 1x4t h ILE 34 Ca 0.08 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1x4t h ILE 34 Cb 0.43 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1x4t h ILE 34 CO 0.01 0.14 -0.08 1.23 0.00 0.00 0.00 178.15 179.46 1x4t h GLY 35 N 0.77 0.21 0.61 5.37 0.00 -1.30 -2.75 103.07 105.98 1x4t h GLY 35 Ca 0.37 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.52 1x4t h GLY 35 CO -0.23 0.11 -0.21 0.83 0.00 0.00 0.00 176.54 177.04 1x4t h GLU 36 N 0.19 0.25 -0.30 4.80 5.08 -0.96 -3.03 114.58 120.61 1x4t h GLU 36 Ca 0.04 -0.19 0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1x4t h GLU 36 Cb 0.26 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.48 1x4t h GLU 36 CO 0.01 0.82 -0.15 0.82 -1.00 0.00 0.00 179.01 179.51 1x4t h ILE 37 N -0.26 0.54 0.30 3.13 2.04 -1.12 -2.28 117.51 119.85 1x4t h ILE 37 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1x4t h ILE 37 Cb 0.84 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1x4t h ILE 37 CO 0.04 0.00 -0.46 -1.28 0.00 0.00 0.00 178.15 176.46 1x4t h SER 38 N -0.11 -1.31 -1.38 1.72 0.87 -1.57 0.25 113.55 112.02 1x4t h SER 38 Ca 0.16 0.12 0.40 0.00 -1.23 0.00 0.00 61.79 61.24 1x4t h SER 38 Cb 0.35 0.46 -0.06 0.00 -0.44 0.00 0.00 62.40 62.71 1x4t h SER 38 CO -0.37 -0.57 0.98 0.11 -0.53 0.00 0.00 176.83 176.45 1x4t h LYS 39 N -0.82 0.02 0.04 2.24 1.79 -1.35 0.92 116.57 119.42 1x4t h LYS 39 Ca -0.02 -0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.17 1x4t h LYS 39 Cb 0.77 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.38 1x4t h LYS 39 CO -0.16 0.02 -1.46 0.87 -1.08 0.00 0.00 179.45 177.64 1x4t h LYS 40 N 0.02 0.09 -0.74 3.15 1.57 -0.57 -3.33 116.57 116.76 1x4t h LYS 40 Ca 0.67 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 59.27 1x4t h LYS 40 Cb 2.61 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 34.94 1x4t h LYS 40 CO -0.04 0.86 0.32 0.28 -0.57 0.00 0.00 179.45 180.30 1x4t h VAL 41 N 0.02 1.24 0.49 0.50 2.07 0.42 -2.91 116.25 118.08 1x4t h VAL 41 Ca -0.20 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1x4t h VAL 41 Cb 1.94 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1x4t h VAL 41 CO 0.12 0.30 -0.24 0.00 0.02 0.00 0.00 177.57 177.77 1x4t h ALA 42 N 1.29 -0.67 -0.98 1.67 0.00 -1.41 -0.51 119.26 118.65 1x4t h ALA 42 Ca 0.25 -0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.26 1x4t h ALA 42 Cb 0.16 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1x4t h ALA 42 CO -0.03 -0.88 0.66 1.96 0.00 0.00 0.00 179.25 180.96 1x4t h GLN 43 N -0.67 0.30 0.07 0.00 4.20 -1.65 -1.19 115.11 116.17 1x4t h GLN 43 Ca -0.07 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1x4t h GLN 43 Cb 0.52 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1x4t h GLN 43 CO 0.11 0.20 -0.03 0.82 -0.67 0.00 0.00 178.83 179.25 1x4t h ILE 44 N 0.31 1.20 -0.95 2.54 1.08 -1.24 -3.22 117.51 117.23 1x4t h ILE 44 Ca 0.52 -1.39 0.23 0.00 -0.39 0.00 0.00 64.86 63.82 1x4t h ILE 44 Cb 1.48 2.05 -0.07 0.00 -3.07 0.00 0.00 36.82 37.20 1x4t h ILE 44 CO -0.18 0.32 0.63 1.56 -0.69 0.00 0.00 178.15 179.79 1x4t h GLN 45 N -0.78 0.38 -0.10 2.37 1.08 0.01 -0.54 115.11 117.55 1x4t h GLN 45 Ca -0.01 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1x4t h GLN 45 Cb 0.60 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1x4t h GLN 45 CO 0.02 0.25 0.06 -0.91 -0.95 0.00 0.00 178.83 177.30 1x4t h ASN 46 N 0.39 0.11 -4.59 1.46 2.35 -1.30 -3.47 115.58 110.54 1x4t h ASN 46 Ca 0.51 -0.02 -0.36 0.00 -0.55 0.00 0.00 56.30 55.88 1x4t h ASN 46 Cb 1.30 -0.03 0.09 0.00 0.05 0.00 0.00 38.32 39.73 1x4t h ASN 46 CO -0.20 0.10 -0.56 0.00 -1.65 0.00 0.00 177.43 175.11 1x4t n ALA 47 N -2.13 -1.00 -2.40 -0.83 0.00 -0.21 -4.91 120.51 109.04 1x4t n ALA 47 Ca -0.05 0.31 -0.00 0.00 0.00 0.00 0.00 53.44 53.69 1x4t n ALA 47 Cb 0.04 -4.19 0.06 0.00 0.00 0.00 0.00 19.45 15.36 1x4t n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4t n GLY 48 N -1.63 2.60 0.00 0.00 0.00 -1.26 -4.77 105.19 100.13 1x4t n GLY 48 Ca -0.05 -1.22 0.01 0.00 0.00 0.00 0.00 46.02 44.76 1x4t n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4t n LEU 49 N -0.26 0.00 0.00 0.99 4.77 -1.26 -5.12 117.00 116.12 1x4t n LEU 49 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1x4t n LEU 49 Cb 0.94 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.03 1x4t n LEU 49 CO 0.05 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1x4t n GLY 50 N 2.40 2.80 0.13 -0.72 0.00 -1.26 -4.61 105.19 103.94 1x4t n GLY 50 Ca -0.00 -1.51 -0.03 0.00 0.00 0.00 0.00 46.02 44.47 1x4t n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x4t n GLU 51 N 1.15 -0.14 -0.24 1.61 1.02 -1.26 0.64 120.64 123.42 1x4t n GLU 51 Ca 0.00 1.01 0.14 0.00 -0.02 0.00 0.00 57.16 58.29 1x4t n GLU 51 Cb 0.00 -1.51 0.27 0.00 -0.02 0.00 0.00 31.44 30.18 1x4t n GLU 51 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1x4t n PHE 52 N -3.67 0.55 0.21 -0.32 -1.74 -1.26 -0.23 117.46 111.01 1x4t n PHE 52 Ca 0.01 0.86 -0.09 0.00 -0.56 0.00 0.00 57.45 57.66 1x4t n PHE 52 Cb 0.08 -1.10 -0.04 0.00 1.52 0.00 0.00 39.48 39.94 1x4t n PHE 52 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1x4t h ARG 53 N 0.00 -0.56 -1.14 3.97 2.47 -0.05 -2.35 114.38 116.71 1x4t h ARG 53 Ca 0.48 0.04 0.40 0.00 -1.26 0.00 0.00 59.98 59.63 1x4t h ARG 53 Cb 1.08 0.13 -0.15 0.00 -1.65 0.00 0.00 29.97 29.38 1x4t h ARG 53 CO -0.64 -0.38 0.69 0.82 0.56 0.00 0.00 179.97 181.02 1x4t h ILE 54 N -1.09 0.15 -0.13 2.04 5.03 0.93 0.59 117.51 125.03 1x4t h ILE 54 Ca -0.06 -0.05 -0.08 0.00 -0.12 0.00 0.00 64.86 64.55 1x4t h ILE 54 Cb 0.45 -0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.24 1x4t h ILE 54 CO 0.10 0.02 -0.24 0.03 -0.68 0.00 0.00 178.15 177.38 1x4t h ARG 55 N 0.14 0.38 -0.68 2.37 2.47 -0.88 -2.13 114.38 116.05 1x4t h ARG 55 Ca 0.80 -0.25 -0.00 0.00 -1.26 0.00 0.00 59.98 59.27 1x4t h ARG 55 Cb 2.22 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 30.53 1x4t h ARG 55 CO -0.56 0.84 0.40 -0.44 0.56 0.00 0.00 179.97 180.78 1x4t h ASP 56 N -0.03 0.81 0.52 7.04 5.19 0.62 -1.08 116.42 129.49 1x4t h ASP 56 Ca 0.01 -0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.34 1x4t h ASP 56 Cb 0.83 -0.21 0.01 0.00 0.18 0.00 0.00 39.33 40.14 1x4t h ASP 56 CO 0.05 0.63 -0.25 -0.07 -3.12 0.00 0.00 179.24 176.48 1x4t h LEU 57 N 0.94 -0.59 -1.17 1.55 3.38 -0.81 -3.18 115.31 115.43 1x4t h LEU 57 Ca 0.24 0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.46 1x4t h LEU 57 Cb -0.03 0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.77 1x4t h LEU 57 CO -0.05 -0.23 0.62 0.78 0.09 0.00 0.00 178.44 179.65 1x4t h ASN 58 N -1.08 0.63 -0.77 -0.43 2.35 -1.34 0.31 115.58 115.25 1x4t h ASN 58 Ca -0.07 0.09 0.15 0.00 -0.55 0.00 0.00 56.30 55.92 1x4t h ASN 58 Cb 0.53 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.84 1x4t h ASN 58 CO 0.12 0.18 0.51 -0.78 -1.65 0.00 0.00 177.43 175.81 1x4t h ASP 59 N 0.59 0.42 0.19 5.81 3.58 -1.20 -1.83 116.42 123.98 1x4t h ASP 59 Ca 0.58 0.02 -0.32 0.00 0.42 0.00 0.00 57.03 57.74 1x4t h ASP 59 Cb 1.15 -0.06 0.02 0.00 1.72 0.00 0.00 39.33 42.16 1x4t h ASP 59 CO -0.35 0.22 -1.51 -0.33 -2.88 0.00 0.00 179.24 174.39 1x4t h GLU 60 N 0.45 0.41 -0.74 0.28 4.39 -0.40 -3.31 114.58 115.66 1x4t h GLU 60 Ca 0.38 -0.70 0.13 0.00 0.34 0.00 0.00 59.36 59.52 1x4t h GLU 60 Cb 0.83 0.26 -0.14 0.00 -0.10 0.00 0.00 28.75 29.60 1x4t h GLU 60 CO -0.13 1.33 -0.29 0.82 -1.16 0.00 0.00 179.01 179.58 1x4t h ILE 61 N -0.00 0.16 0.62 3.13 1.08 -0.45 -0.06 117.51 121.98 1x4t h ILE 61 Ca -0.29 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.15 1x4t h ILE 61 Cb 2.02 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 35.92 1x4t h ILE 61 CO 0.19 0.00 -0.38 0.78 -0.69 0.00 0.00 178.15 178.04 1x4t h ASN 62 N -0.07 -0.96 -1.11 1.72 2.35 -1.64 -1.35 115.58 114.52 1x4t h ASN 62 Ca 0.31 0.05 0.33 0.00 -0.55 0.00 0.00 56.30 56.44 1x4t h ASN 62 Cb 0.57 0.28 -0.12 0.00 0.05 0.00 0.00 38.32 39.11 1x4t h ASN 62 CO -0.79 -0.59 0.70 0.11 -1.65 0.00 0.00 177.43 175.21 1x4t h LYS 63 N -0.94 0.29 -0.23 0.81 1.79 -1.36 0.36 116.57 117.29 1x4t h LYS 63 Ca -0.08 -0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.26 1x4t h LYS 63 Cb 0.77 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.35 1x4t h LYS 63 CO 0.08 0.19 -0.30 -0.07 -1.08 0.00 0.00 179.45 178.27 1x4t h LEU 64 N 0.30 0.66 0.02 2.94 3.38 -0.50 -3.03 115.31 119.08 1x4t h LEU 64 Ca 0.69 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1x4t h LEU 64 Cb 1.84 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 1x4t h LEU 64 CO -0.40 1.03 -0.06 0.25 0.09 0.00 0.00 178.44 179.35 1x4t h LEU 65 N 0.30 -0.17 -0.70 1.67 5.85 0.78 -2.11 115.31 120.94 1x4t h LEU 65 Ca 0.03 0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.91 1x4t h LEU 65 Cb 0.88 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.88 1x4t h LEU 65 CO 0.07 -0.09 0.20 0.03 -0.34 0.00 0.00 178.44 178.31 1x4t h ARG 66 N -0.12 0.32 -0.33 1.25 3.08 -1.25 0.18 114.38 117.51 1x4t h ARG 66 Ca 0.02 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1x4t h ARG 66 Cb 0.14 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1x4t h ARG 66 CO -0.05 0.21 0.11 1.49 -1.07 0.00 0.00 179.97 180.66 1x4t h GLU 67 N 0.33 0.47 -0.46 0.04 4.57 -1.34 -2.40 114.58 115.79 1x4t h GLU 67 Ca 0.38 -0.06 -0.14 0.00 -1.18 0.00 0.00 59.36 58.36 1x4t h GLU 67 Cb 0.60 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1x4t h GLU 67 CO -0.44 0.41 -0.25 -0.22 -1.18 0.00 0.00 179.01 177.33 1x4t h LYS 68 N 0.47 0.98 -0.05 1.92 3.64 -0.03 -1.88 116.57 121.62 1x4t h LYS 68 Ca 0.11 -0.44 0.02 0.00 -1.27 0.00 0.00 60.65 59.07 1x4t h LYS 68 Cb 0.13 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1x4t h LYS 68 CO -0.01 1.11 0.10 0.78 -2.27 0.00 0.00 179.45 179.16 1x4t h GLY 69 N 0.83 0.00 0.25 5.01 0.00 -0.70 -0.28 103.07 108.18 1x4t h GLY 69 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.09 1x4t h GLY 69 CO 0.07 0.00 -1.87 1.42 0.00 0.00 0.00 176.54 176.16 1x4t n HIS 70 N -3.48 0.88 0.00 5.60 8.25 -1.07 -4.05 115.22 121.35 1x4t n HIS 70 Ca -0.02 0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 1x4t n HIS 70 Cb 0.18 -1.10 0.00 0.00 1.12 0.00 0.00 29.99 30.19 1x4t n HIS 70 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1x4t n TRP 71 N -3.88 0.00 -0.60 4.41 7.02 -0.73 0.64 117.44 124.30 1x4t n TRP 71 Ca -0.36 0.00 0.47 0.00 -1.02 0.00 0.00 57.50 56.59 1x4t n TRP 71 Cb 0.90 -0.50 0.73 0.00 -2.42 0.00 0.00 31.31 30.02 1x4t n TRP 71 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1x4t n GLU 72 N -1.99 0.00 -0.01 -0.99 1.02 -0.15 0.23 120.64 118.75 1x4t n GLU 72 Ca 0.00 1.04 -0.15 0.00 -0.02 0.00 0.00 57.16 58.03 1x4t n GLU 72 Cb 0.00 -2.44 -0.14 0.00 -0.02 0.00 0.00 31.44 28.84 1x4t n GLU 72 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1x4t n VAL 73 N -3.73 1.71 0.28 2.62 0.31 -1.17 -3.40 118.33 114.94 1x4t n VAL 73 Ca 0.40 -0.72 0.16 0.00 -0.01 0.00 0.00 64.34 64.16 1x4t n VAL 73 Cb 1.88 -1.41 0.81 0.00 -0.91 0.00 0.00 33.84 34.21 1x4t n VAL 73 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1x4t h ARG 74 N 0.04 0.00 -0.28 5.55 9.65 0.86 -2.33 114.38 127.87 1x4t h ARG 74 Ca -0.36 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.41 1x4t h ARG 74 Cb 2.03 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.59 1x4t h ARG 74 CO 0.09 0.07 -0.30 0.82 2.80 0.00 0.00 179.97 183.44 1x4t h ILE 75 N 0.00 1.28 -0.00 1.20 2.04 -1.20 -2.94 117.51 117.89 1x4t h ILE 75 Ca -0.00 -1.40 -0.07 0.00 1.00 0.00 0.00 64.86 64.39 1x4t h ILE 75 Cb 0.32 1.40 0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1x4t h ILE 75 CO 0.01 0.45 -0.27 0.50 0.00 0.00 0.00 178.15 178.83 1x4t h LYS 76 N 0.49 0.19 0.00 2.37 3.64 -1.49 0.40 116.57 122.17 1x4t h LYS 76 Ca 0.06 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1x4t h LYS 76 Cb 0.77 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1x4t h LYS 76 CO 0.06 0.93 0.10 0.39 -2.27 0.00 0.00 179.45 178.66 1x4t n GLU 77 N -4.49 0.11 0.00 1.90 1.02 -1.08 -0.07 120.64 118.04 1x4t n GLU 77 Ca -0.10 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1x4t n GLU 77 Cb 0.51 -1.97 -0.11 0.00 -0.02 0.00 0.00 31.44 29.86 1x4t n GLU 77 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1x4t n LEU 78 N -2.11 0.57 0.00 -4.62 4.77 -1.11 -4.97 117.00 109.53 1x4t n LEU 78 Ca -0.01 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1x4t n LEU 78 Cb 0.13 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1x4t n LEU 78 CO 0.07 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1x4t n GLY 79 N 1.43 1.34 0.00 -0.72 0.00 0.90 -4.95 105.19 103.19 1x4t n GLY 79 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1x4t n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4t n GLY 80 N 0.00 3.03 3.77 -0.02 0.00 0.12 -5.00 105.19 107.09 1x4t n GLY 80 Ca 0.00 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 1x4t n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4t s PRO 81 N 2.69 4.05 -0.60 1.61 0.04 -1.26 -4.40 135.00 137.14 1x4t s PRO 81 Ca 0.00 1.89 -0.19 0.00 0.04 0.00 0.00 61.00 62.74 1x4t s PRO 81 Cb 0.00 -2.70 0.10 0.00 0.04 0.00 0.00 34.50 31.94 1x4t s PRO 81 CO 0.00 -0.34 0.72 0.16 0.04 0.00 0.00 177.00 177.58 1x4t s ASP 82 N -1.06 6.19 0.01 6.66 1.47 -1.26 -3.62 116.67 125.05 1x4t s ASP 82 Ca 0.57 -1.43 0.08 0.00 1.18 0.00 0.00 52.55 52.95 1x4t s ASP 82 Cb -0.32 -2.31 -0.23 0.00 -0.34 0.00 0.00 42.92 39.72 1x4t s ASP 82 CO 0.40 -1.13 0.87 1.88 0.68 0.00 0.00 175.17 177.87 1x4t h TYR 83 N 9.20 0.07 -0.21 2.11 0.05 -1.94 -3.35 116.97 122.90 1x4t h TYR 83 Ca -0.29 -0.05 -0.07 0.00 0.05 0.00 0.00 58.73 58.37 1x4t h TYR 83 Cb 1.09 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.82 1x4t h TYR 83 CO 0.84 1.07 -0.15 0.78 -1.05 0.00 0.00 178.16 179.65 1x4t h GLY 84 N 3.06 0.52 0.27 3.88 0.00 -1.89 -3.19 103.07 105.71 1x4t h GLY 84 Ca -0.20 -0.50 0.12 0.00 0.00 0.00 0.00 47.33 46.74 1x4t h GLY 84 CO 0.10 0.46 0.25 1.70 0.00 0.00 0.00 176.54 179.05 1x4t h LYS 85 N 0.17 0.40 -0.69 4.80 3.64 -1.92 -1.56 116.57 121.42 1x4t h LYS 85 Ca 0.04 -0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.55 1x4t h LYS 85 Cb 0.67 -0.09 -0.12 0.00 -0.41 0.00 0.00 32.23 32.28 1x4t h LYS 85 CO 0.04 0.27 -0.01 0.28 -2.27 0.00 0.00 179.45 177.76 1x4t h VAL 86 N 0.41 0.41 -3.10 2.00 2.07 -1.68 -3.39 116.25 112.99 1x4t h VAL 86 Ca 0.35 -0.04 -0.54 0.00 0.82 0.00 0.00 66.70 67.30 1x4t h VAL 86 Cb 0.49 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1x4t h VAL 86 CO -0.36 0.02 0.67 -0.44 0.02 0.00 0.00 177.57 177.48 1x4t s SER 87 N -5.22 7.02 0.00 0.57 0.01 -0.59 -4.76 113.70 110.74 1x4t s SER 87 Ca -0.14 1.96 0.00 0.00 1.31 0.00 0.00 55.95 59.08 1x4t s SER 87 Cb 0.21 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1x4t s SER 87 CO 0.75 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 174.44 1x4t n GLY 88 N 3.36 -0.82 0.00 3.44 0.00 -1.26 -4.95 105.19 104.96 1x4t n GLY 88 Ca 0.11 -0.23 0.06 0.00 0.00 0.00 0.00 46.02 45.95 1x4t n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4t n PRO 89 N 0.00 0.49 -3.77 1.61 -0.04 -1.26 -4.44 135.00 127.59 1x4t n PRO 89 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 1x4t n PRO 89 Cb 0.00 -1.37 -0.12 0.00 -0.04 0.00 0.00 33.50 31.98 1x4t n PRO 89 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x4t s SER 90 N -1.87 5.26 -0.36 3.54 1.04 -1.26 -5.05 113.70 115.00 1x4t s SER 90 Ca 0.17 -1.79 -0.30 0.00 0.48 0.00 0.00 55.95 54.51 1x4t s SER 90 Cb 0.08 -1.84 -0.08 0.00 0.10 0.00 0.00 66.02 64.28 1x4t s SER 90 CO 0.13 -0.49 2.29 -1.54 0.98 0.00 0.00 173.24 174.61 1x4t n SER 91 N 4.66 2.57 0.00 7.02 3.41 -1.26 -4.87 113.62 125.15 1x4t n SER 91 Ca -0.06 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1x4t n SER 91 Cb 0.42 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 1x4t n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49