#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j6y s MET 2 N 0.00 1.94 1.01 1.57 1.00 -1.26 -5.14 119.30 118.43 1j6y s MET 2 Ca 0.00 -0.49 -0.17 0.00 0.00 0.00 0.00 55.69 55.03 1j6y s MET 2 Cb 0.00 -1.60 0.25 0.00 0.00 0.00 0.00 34.83 33.49 1j6y s MET 2 CO 0.00 0.02 0.86 0.00 0.00 0.00 0.00 175.02 175.90 1j6y n ALA 3 N 3.88 -2.94 -1.78 3.03 0.00 -1.26 -4.96 120.51 116.49 1j6y n ALA 3 Ca -0.21 -1.30 -0.40 0.00 0.00 0.00 0.00 53.44 51.52 1j6y n ALA 3 Cb 0.52 -0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 1j6y n ALA 3 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1j6y s SER 4 N -3.75 7.24 0.00 0.00 1.04 -1.26 -5.03 113.70 111.93 1j6y s SER 4 Ca 0.57 2.28 0.00 0.00 0.48 0.00 0.00 55.95 59.28 1j6y s SER 4 Cb -0.06 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1j6y s SER 4 CO 0.44 -0.17 0.00 0.54 0.98 0.00 0.00 173.24 175.03 1j6y n ARG 5 N 1.26 0.00 0.00 4.02 1.74 -1.26 -5.09 116.66 117.33 1j6y n ARG 5 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1j6y n ARG 5 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 1j6y n ARG 5 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1j6y n ASP 6 N 0.00 0.00 -1.14 0.55 -0.08 -1.26 -5.15 116.55 109.47 1j6y n ASP 6 Ca 0.00 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.40 1j6y n ASP 6 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 1j6y n ASP 6 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1j6y n GLN 7 N 0.00 -2.13 -3.15 -0.67 7.27 -1.26 -4.95 117.38 112.49 1j6y n GLN 7 Ca 0.00 1.64 0.04 0.00 0.07 0.00 0.00 57.00 58.75 1j6y n GLN 7 Cb 0.00 -2.70 -0.01 0.00 2.41 0.00 0.00 30.24 29.94 1j6y n GLN 7 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1j6y s VAL 8 N -3.62 -1.00 0.67 1.69 0.11 0.54 -4.88 120.40 113.92 1j6y s VAL 8 Ca 0.00 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.95 1j6y s VAL 8 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 1j6y s VAL 8 CO 0.00 0.00 1.03 -0.54 -3.33 0.00 0.00 175.10 172.26 1j6y s LYS 9 N 2.85 2.89 0.00 1.54 1.02 -1.25 -2.27 119.74 124.51 1j6y s LYS 9 Ca 0.18 0.32 0.00 0.00 0.02 0.00 0.00 55.97 56.49 1j6y s LYS 9 Cb -0.14 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 1j6y s LYS 9 CO -0.22 -0.92 0.00 0.00 -0.92 0.00 0.00 175.35 173.28 1j6y n ALA 10 N -2.87 0.00 -2.62 5.17 0.00 -1.11 -4.82 120.51 114.26 1j6y n ALA 10 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 1j6y n ALA 10 Cb 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.97 1j6y n ALA 10 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1j6y s SER 11 N 0.00 4.32 0.05 0.00 1.04 -0.98 -0.75 113.70 117.38 1j6y s SER 11 Ca 0.00 -1.48 -0.28 0.00 0.48 0.00 0.00 55.95 54.66 1j6y s SER 11 Cb 0.00 0.44 0.10 0.00 0.10 0.00 0.00 66.02 66.66 1j6y s SER 11 CO 0.00 -0.93 1.11 -1.38 0.98 0.00 0.00 173.24 173.02 1j6y s HIS 12 N -2.83 -0.11 0.26 5.02 -3.43 -1.20 -2.89 115.29 110.11 1j6y s HIS 12 Ca 0.17 -0.08 -0.03 0.00 -0.80 0.00 0.00 55.06 54.32 1j6y s HIS 12 Cb 0.00 0.58 -0.02 0.00 -1.43 0.00 0.00 32.58 31.72 1j6y s HIS 12 CO 0.10 -0.53 0.31 0.42 -2.00 0.00 0.00 174.74 173.04 1j6y s ILE 13 N -2.84 0.00 -0.09 -5.38 1.01 -0.88 -4.59 121.20 108.43 1j6y s ILE 13 Ca 0.12 -1.77 -0.04 0.00 0.00 0.00 0.00 60.65 58.97 1j6y s ILE 13 Cb 0.01 -2.45 0.05 0.00 0.01 0.00 0.00 42.46 40.08 1j6y s ILE 13 CO -0.02 0.00 0.18 -0.22 0.00 0.00 0.00 174.94 174.88 1j6y s LEU 14 N -3.16 -0.01 0.00 2.97 2.96 -1.24 -2.63 118.68 117.56 1j6y s LEU 14 Ca 0.33 0.38 0.25 0.00 -0.22 0.00 0.00 54.13 54.87 1j6y s LEU 14 Cb 0.03 0.36 0.74 0.00 0.50 0.00 0.00 46.19 47.82 1j6y s LEU 14 CO 0.15 -0.23 1.56 0.00 -1.32 0.00 0.00 176.35 176.51 1j6y n ILE 15 N 5.17 0.10 -1.36 6.68 3.06 -0.84 -3.34 119.36 128.84 1j6y n ILE 15 Ca -0.08 -0.38 0.18 0.00 -2.50 0.00 0.00 62.75 59.97 1j6y n ILE 15 Cb 0.50 0.72 -0.06 0.00 0.54 0.00 0.00 39.64 41.34 1j6y n ILE 15 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1j6y n LYS 16 N 0.59 -2.92 0.00 9.51 4.01 -1.26 -4.71 118.16 123.38 1j6y n LYS 16 Ca 0.17 2.17 0.00 0.00 -0.51 0.00 0.00 58.31 60.14 1j6y n LYS 16 Cb 0.43 -3.50 0.00 0.00 -0.51 0.00 0.00 35.03 31.45 1j6y n LYS 16 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 1j6y n HIS 17 N -4.19 0.00 0.00 2.13 1.44 -1.26 -4.33 115.22 109.01 1j6y n HIS 17 Ca -0.03 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.68 1j6y n HIS 17 Cb 0.63 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.74 1j6y n HIS 17 CO 0.00 0.00 0.00 0.37 -2.81 0.00 0.00 176.34 173.90 1j6y h GLN 18 N 0.00 -0.00 0.00 -1.40 -0.00 -1.83 -3.38 115.11 108.50 1j6y h GLN 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1j6y h GLN 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 1j6y h GLN 18 CO 0.00 -0.00 0.00 0.41 0.00 0.00 0.00 178.83 179.24 1j6y n GLY 19 N -0.31 3.31 0.01 2.39 0.00 -1.26 -4.56 105.19 104.76 1j6y n GLY 19 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1j6y n GLY 19 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j6y n SER 20 N 4.26 0.00 -4.90 1.61 2.88 -1.26 -5.09 113.62 111.12 1j6y n SER 20 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1j6y n SER 20 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 1j6y n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j6y s ARG 21 N -1.01 2.14 0.63 -1.46 3.03 -1.26 -4.98 118.95 116.04 1j6y s ARG 21 Ca 0.00 0.13 -0.17 0.00 2.03 0.00 0.00 55.73 57.71 1j6y s ARG 21 Cb 0.00 -1.99 -0.09 0.00 -1.03 0.00 0.00 34.95 31.84 1j6y s ARG 21 CO 0.00 -1.46 0.30 -2.13 -1.13 0.00 0.00 175.30 170.88 1j6y n ARG 22 N -3.22 0.30 0.42 3.89 3.00 -1.26 -4.90 116.66 114.89 1j6y n ARG 22 Ca 0.08 0.12 -0.16 0.00 -0.00 0.00 0.00 57.85 57.89 1j6y n ARG 22 Cb 0.60 -1.55 -0.08 0.00 0.00 0.00 0.00 32.46 31.44 1j6y n ARG 22 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1j6y h LYS 23 N -0.09 -1.04 0.01 -0.14 3.64 -1.92 -3.35 116.57 113.68 1j6y h LYS 23 Ca -0.44 0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1j6y h LYS 23 Cb 1.39 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 1j6y h LYS 23 CO 0.43 -0.69 -0.00 0.00 -2.27 0.00 0.00 179.45 176.91 1j6y h ALA 24 N -1.46 -0.01 -4.91 5.00 0.00 -1.90 -3.45 119.26 112.53 1j6y h ALA 24 Ca -0.11 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1j6y h ALA 24 Cb 0.82 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1j6y h ALA 24 CO 0.18 -0.01 -0.95 0.43 0.00 0.00 0.00 179.25 178.90 1j6y n SER 25 N -4.68 -4.77 0.00 0.00 7.64 -1.26 -4.41 113.62 106.15 1j6y n SER 25 Ca -0.06 1.46 0.00 0.00 1.01 0.00 0.00 58.87 61.28 1j6y n SER 25 Cb 0.30 -4.28 0.00 0.00 -1.01 0.00 0.00 64.21 59.22 1j6y n SER 25 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1j6y n TRP 26 N 1.92 0.00 0.00 1.43 -0.00 -1.26 -4.78 117.44 114.75 1j6y n TRP 26 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.35 1j6y n TRP 26 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.55 1j6y n TRP 26 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1j6y n LYS 27 N 0.00 -0.24 -0.11 5.87 5.02 -1.26 -4.79 118.16 122.65 1j6y n LYS 27 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1j6y n LYS 27 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 1j6y n LYS 27 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1j6y h ASP 28 N -1.54 -0.48 -2.84 4.39 3.32 -2.07 -3.39 116.42 113.82 1j6y h ASP 28 Ca 0.00 0.13 -0.56 0.00 0.02 0.00 0.00 57.03 56.62 1j6y h ASP 28 Cb 0.00 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1j6y h ASP 28 CO 0.00 -0.17 0.93 -2.16 -1.72 0.00 0.00 179.24 176.12 1j6y s PRO 29 N -6.19 4.23 0.00 3.56 0.04 -1.26 -4.99 135.00 130.40 1j6y s PRO 29 Ca -0.14 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1j6y s PRO 29 Cb 0.14 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1j6y s PRO 29 CO 0.70 -0.71 0.00 -0.85 0.04 0.00 0.00 177.00 176.19 1j6y n GLU 30 N 6.44 2.39 -1.83 4.56 0.28 -1.26 -4.74 120.64 126.49 1j6y n GLU 30 Ca 0.14 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.14 1j6y n GLU 30 Cb 0.44 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.31 1j6y n GLU 30 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1j6y n GLY 31 N 2.99 3.64 0.00 -1.84 0.00 -1.26 -5.12 105.19 103.60 1j6y n GLY 31 Ca 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.82 1j6y n GLY 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j6y n LYS 32 N -0.28 0.00 -3.15 1.61 5.02 -1.26 -5.07 118.16 115.03 1j6y n LYS 32 Ca -0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1j6y n LYS 32 Cb 0.02 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.02 1j6y n LYS 32 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1j6y s ILE 33 N 0.26 -0.76 0.24 -0.18 2.07 -1.26 -5.07 121.20 116.50 1j6y s ILE 33 Ca 0.00 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1j6y s ILE 33 Cb 0.00 -0.92 -0.00 0.00 0.13 0.00 0.00 42.46 41.67 1j6y s ILE 33 CO 0.00 0.00 0.01 2.30 -1.91 0.00 0.00 174.94 175.34 1j6y n ILE 34 N 5.41 0.00 -0.63 2.00 -5.35 -1.26 -5.13 119.36 114.40 1j6y n ILE 34 Ca -0.00 -1.17 -0.29 0.00 -0.27 0.00 0.00 62.75 61.02 1j6y n ILE 34 Cb 0.53 0.26 0.26 0.00 -1.74 0.00 0.00 39.64 38.95 1j6y n ILE 34 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 1j6y s LEU 35 N 0.00 0.07 0.00 7.28 2.34 -1.26 -5.06 118.68 122.04 1j6y s LEU 35 Ca 0.02 1.06 -0.06 0.00 0.06 0.00 0.00 54.13 55.21 1j6y s LEU 35 Cb 0.00 -2.76 0.02 0.00 -0.56 0.00 0.00 46.19 42.89 1j6y s LEU 35 CO 0.01 -4.58 0.47 0.35 -1.06 0.00 0.00 176.35 171.54 1j6y n THR 36 N -5.13 0.00 0.65 5.48 -2.24 -1.26 -5.01 114.28 106.77 1j6y n THR 36 Ca 0.08 -1.03 0.12 0.00 -2.27 0.00 0.00 64.05 60.95 1j6y n THR 36 Cb 0.58 0.77 0.46 0.00 -2.10 0.00 0.00 70.33 70.04 1j6y n THR 36 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1j6y n THR 37 N -0.41 0.55 -0.94 4.28 -1.04 -1.26 -4.92 114.28 110.54 1j6y n THR 37 Ca -0.03 -0.06 0.09 0.00 -2.04 0.00 0.00 64.05 62.01 1j6y n THR 37 Cb 0.43 -0.73 -0.03 0.00 -1.82 0.00 0.00 70.33 68.18 1j6y n THR 37 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1j6y n THR 38 N -2.02 0.00 0.00 12.58 -2.24 -1.26 -0.79 114.28 120.56 1j6y n THR 38 Ca 0.05 0.21 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1j6y n THR 38 Cb 0.34 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1j6y n THR 38 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1j6y n ARG 39 N -3.04 0.00 -0.31 -0.78 1.85 -1.26 -0.99 116.66 112.14 1j6y n ARG 39 Ca -0.02 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.92 1j6y n ARG 39 Cb 0.59 -0.53 0.21 0.00 -1.05 0.00 0.00 32.46 31.68 1j6y n ARG 39 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1j6y h GLU 40 N 0.00 0.05 -0.72 2.89 4.81 -2.02 2.15 114.58 121.74 1j6y h GLU 40 Ca 0.00 -0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.35 1j6y h GLU 40 Cb 0.00 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 1j6y h GLU 40 CO 0.00 0.03 0.48 0.00 -0.73 0.00 0.00 179.01 178.79 1j6y h ALA 41 N 1.87 1.99 0.10 2.92 0.00 -1.69 -2.07 119.26 122.37 1j6y h ALA 41 Ca 0.50 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.43 1j6y h ALA 41 Cb 0.93 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1j6y h ALA 41 CO -0.83 -0.16 -0.40 0.00 0.00 0.00 0.00 179.25 177.86 1j6y h ALA 42 N 1.65 -0.69 -1.03 0.00 0.00 0.57 1.23 119.26 120.99 1j6y h ALA 42 Ca 0.34 -0.06 0.26 0.00 0.00 0.00 0.00 54.91 55.45 1j6y h ALA 42 Cb 0.65 0.67 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 1j6y h ALA 42 CO -0.11 -0.95 0.65 -0.24 0.00 0.00 0.00 179.25 178.59 1j6y h VAL 43 N -0.62 0.54 0.04 0.00 3.04 -1.27 1.69 116.25 119.68 1j6y h VAL 43 Ca 0.03 -0.15 -0.00 0.00 -1.01 0.00 0.00 66.70 65.56 1j6y h VAL 43 Cb 0.66 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.99 1j6y h VAL 43 CO -0.24 0.08 -0.02 -0.08 -1.01 0.00 0.00 177.57 176.30 1j6y h GLU 44 N 0.45 -0.05 -0.45 4.17 4.81 -0.61 0.47 114.58 123.37 1j6y h GLU 44 Ca 0.60 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.84 1j6y h GLU 44 Cb 1.42 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.79 1j6y h GLU 44 CO -0.33 0.54 0.28 1.96 -0.73 0.00 0.00 179.01 180.73 1j6y h GLN 45 N -0.69 0.59 0.06 1.92 1.08 0.37 -1.35 115.11 117.08 1j6y h GLN 45 Ca -0.01 -0.04 -0.24 0.00 -1.45 0.00 0.00 58.65 56.92 1j6y h GLN 45 Cb 0.61 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1j6y h GLN 45 CO 0.01 0.40 -1.06 1.25 -0.95 0.00 0.00 178.83 178.48 1j6y h LEU 46 N 0.61 0.35 -1.14 1.46 6.46 0.25 -2.91 115.31 120.38 1j6y h LEU 46 Ca 0.16 -0.33 0.28 0.00 -0.12 0.00 0.00 57.88 57.86 1j6y h LEU 46 Cb -0.05 -0.11 -0.12 0.00 -0.73 0.00 0.00 40.66 39.65 1j6y h LEU 46 CO -0.03 1.20 0.63 0.50 -0.62 0.00 0.00 178.44 180.12 1j6y h LYS 47 N 0.10 0.44 0.16 1.25 3.64 0.11 0.52 116.57 122.80 1j6y h LYS 47 Ca -0.09 -0.03 -0.30 0.00 -1.27 0.00 0.00 60.65 58.96 1j6y h LYS 47 Cb 1.76 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 33.49 1j6y h LYS 47 CO 0.17 0.29 -1.41 0.66 -2.27 0.00 0.00 179.45 176.89 1j6y h SER 48 N 0.45 0.54 0.15 4.20 4.64 -1.51 -2.44 113.55 119.58 1j6y h SER 48 Ca 0.66 -0.62 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1j6y h SER 48 Cb 1.47 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1j6y h SER 48 CO -0.44 1.50 -0.07 -0.29 -0.87 0.00 0.00 176.83 176.66 1j6y h ILE 49 N 0.09 0.96 -0.00 0.95 -0.00 -0.29 1.65 117.51 120.87 1j6y h ILE 49 Ca -0.21 -0.47 -0.03 0.00 -0.00 0.00 0.00 64.86 64.15 1j6y h ILE 49 Cb 2.04 1.26 -0.00 0.00 -0.00 0.00 0.00 36.82 40.11 1j6y h ILE 49 CO 0.21 0.11 -0.13 0.08 -0.00 0.00 0.00 178.15 178.42 1j6y h ARG 50 N -0.42 0.01 0.37 2.19 -0.00 -0.28 0.56 114.38 116.81 1j6y h ARG 50 Ca -0.02 -0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.94 1j6y h ARG 50 Cb 0.33 -0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.31 1j6y h ARG 50 CO 0.03 0.14 -0.18 1.49 -0.00 0.00 0.00 179.97 181.45 1j6y h GLU 51 N 0.01 -0.48 -0.49 0.08 4.57 -0.89 0.27 114.58 117.64 1j6y h GLU 51 Ca -0.00 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.31 1j6y h GLU 51 Cb 0.24 0.11 -0.10 0.00 -0.16 0.00 0.00 28.75 28.84 1j6y h GLU 51 CO 0.02 -0.29 -0.19 -0.44 -1.18 0.00 0.00 179.01 176.93 1j6y h ASP 52 N -1.11 -0.67 0.10 1.04 3.32 0.27 2.15 116.42 121.51 1j6y h ASP 52 Ca -0.05 0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1j6y h ASP 52 Cb 0.42 0.38 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 1j6y h ASP 52 CO 0.08 -0.22 -0.01 0.40 -1.72 0.00 0.00 179.24 177.77 1j6y h ILE 53 N -0.08 0.17 0.00 0.35 1.08 0.12 2.23 117.51 121.38 1j6y h ILE 53 Ca 0.23 -0.08 -0.05 0.00 -0.39 0.00 0.00 64.86 64.58 1j6y h ILE 53 Cb 0.44 1.06 -0.01 0.00 -3.07 0.00 0.00 36.82 35.25 1j6y h ILE 53 CO -0.55 0.01 -0.35 0.58 -0.69 0.00 0.00 178.15 177.16 1j6y h VAL 54 N 0.00 0.80 0.05 1.67 2.07 0.67 -3.36 116.25 118.16 1j6y h VAL 54 Ca -0.00 -1.70 -0.37 0.00 0.82 0.00 0.00 66.70 65.45 1j6y h VAL 54 Cb 0.06 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1j6y h VAL 54 CO 0.00 0.27 -2.17 -0.24 0.02 0.00 0.00 177.57 175.45 1j6y n SER 55 N -4.62 2.03 -4.00 0.57 2.88 0.30 -4.54 113.62 106.24 1j6y n SER 55 Ca -0.11 0.10 -0.42 0.00 -1.33 0.00 0.00 58.87 57.11 1j6y n SER 55 Cb 0.35 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 1j6y n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j6y n GLY 56 N 1.99 5.01 2.71 0.46 0.00 0.75 -4.91 105.19 111.20 1j6y n GLY 56 Ca -0.39 -2.67 -0.05 0.00 0.00 0.00 0.00 46.02 42.91 1j6y n GLY 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1j6y n LYS 57 N 1.47 0.53 0.00 1.61 4.81 -1.02 -3.81 118.16 121.74 1j6y n LYS 57 Ca 0.26 -0.57 0.00 0.00 -0.87 0.00 0.00 58.31 57.13 1j6y n LYS 57 Cb 0.34 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.46 1j6y n LYS 57 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1j6y n ALA 58 N 4.09 0.00 -1.00 3.14 0.00 -1.26 -4.98 120.51 120.50 1j6y n ALA 58 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1j6y n ALA 58 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1j6y n ALA 58 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1j6y n ASN 59 N -0.06 0.00 0.00 0.00 4.13 -1.26 -5.02 115.26 113.05 1j6y n ASN 59 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1j6y n ASN 59 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1j6y n ASN 59 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1j6y n PHE 60 N -0.24 0.00 0.00 3.10 -0.00 -1.26 -4.97 117.46 114.09 1j6y n PHE 60 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1j6y n PHE 60 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1j6y n PHE 60 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1j6y n GLU 61 N -0.40 0.00 -0.44 -4.13 1.02 -1.26 -1.16 120.64 114.26 1j6y n GLU 61 Ca 0.00 0.00 0.36 0.00 -0.02 0.00 0.00 57.16 57.50 1j6y n GLU 61 Cb 0.00 -0.68 0.65 0.00 -0.02 0.00 0.00 31.44 31.39 1j6y n GLU 61 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1j6y h GLU 62 N 0.00 0.11 -0.25 3.49 4.81 -1.97 0.99 114.58 121.75 1j6y h GLU 62 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1j6y h GLU 62 Cb 0.00 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1j6y h GLU 62 CO 0.00 0.07 0.12 0.28 -0.73 0.00 0.00 179.01 178.75 1j6y h VAL 63 N 0.11 1.14 -0.16 0.32 2.07 -1.94 -2.22 116.25 115.58 1j6y h VAL 63 Ca 0.79 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.91 1j6y h VAL 63 Cb 2.52 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 1j6y h VAL 63 CO -0.37 0.14 0.10 0.00 0.02 0.00 0.00 177.57 177.46 1j6y h ALA 64 N 0.99 0.20 -0.89 1.67 0.00 0.25 2.08 119.26 123.57 1j6y h ALA 64 Ca 0.09 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1j6y h ALA 64 Cb 0.11 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 1j6y h ALA 64 CO -0.01 -0.29 0.53 1.79 0.00 0.00 0.00 179.25 181.26 1j6y h THR 65 N 0.20 0.91 0.01 0.00 1.35 -1.19 -3.03 112.91 111.16 1j6y h THR 65 Ca 0.06 -0.30 -0.34 0.00 -0.55 0.00 0.00 66.41 65.28 1j6y h THR 65 Cb 0.01 -0.03 -0.06 0.00 -1.73 0.00 0.00 68.15 66.34 1j6y h THR 65 CO -0.01 0.16 -2.11 -1.14 -0.25 0.00 0.00 175.52 172.17 1j6y n ARG 66 N -4.70 0.67 -1.18 4.72 0.63 -0.85 -4.03 116.66 111.92 1j6y n ARG 66 Ca 0.16 0.14 -0.21 0.00 -0.92 0.00 0.00 57.85 57.01 1j6y n ARG 66 Cb 0.31 -1.64 -0.02 0.00 0.45 0.00 0.00 32.46 31.55 1j6y n ARG 66 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1j6y n VAL 67 N -2.95 3.04 -3.07 5.15 3.14 0.70 -4.88 118.33 119.46 1j6y n VAL 67 Ca -0.28 -2.26 0.00 0.00 -2.96 0.00 0.00 64.34 58.85 1j6y n VAL 67 Cb 1.10 -1.51 0.00 0.00 -1.06 0.00 0.00 33.84 32.36 1j6y n VAL 67 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1j6y n SER 68 N 0.79 1.56 -0.10 6.55 3.41 -1.20 -3.64 113.62 121.00 1j6y n SER 68 Ca 0.39 -0.07 -0.23 0.00 -0.26 0.00 0.00 58.87 58.70 1j6y n SER 68 Cb 0.59 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.42 1j6y n SER 68 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1j6y n ASP 69 N -0.10 1.98 0.00 4.04 -0.08 -1.26 -4.80 116.55 116.32 1j6y n ASP 69 Ca 0.00 0.19 0.00 0.00 -1.51 0.00 0.00 54.79 53.47 1j6y n ASP 69 Cb 0.00 -0.74 0.00 0.00 2.34 0.00 0.00 41.12 42.72 1j6y n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j6y h SER 71 N 0.00 -1.65 -1.10 0.00 0.87 -1.93 0.57 113.55 110.31 1j6y h SER 71 Ca 0.00 0.19 0.31 0.00 -1.23 0.00 0.00 61.79 61.06 1j6y h SER 71 Cb 0.00 0.63 -0.05 0.00 -0.44 0.00 0.00 62.40 62.54 1j6y h SER 71 CO 0.00 -0.51 0.78 0.77 -0.53 0.00 0.00 176.83 177.34 1j6y h SER 72 N -0.65 0.07 -0.69 6.23 4.64 -1.93 1.73 113.55 122.94 1j6y h SER 72 Ca 0.01 0.01 0.10 0.00 -0.47 0.00 0.00 61.79 61.45 1j6y h SER 72 Cb 0.71 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.76 1j6y h SER 72 CO -0.37 0.01 0.46 0.00 -0.87 0.00 0.00 176.83 176.06 1j6y h ALA 73 N 1.47 1.94 0.00 5.18 0.00 0.01 2.33 119.26 130.20 1j6y h ALA 73 Ca 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1j6y h ALA 73 Cb 2.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1j6y h ALA 73 CO -0.05 -0.10 -0.36 -0.22 0.00 0.00 0.00 179.25 178.52 1j6y h LYS 74 N 0.52 0.00 -1.18 0.00 3.64 0.28 -3.34 116.57 116.49 1j6y h LYS 74 Ca 0.32 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 59.21 1j6y h LYS 74 Cb 0.56 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.96 1j6y h LYS 74 CO -0.10 0.00 -0.90 -2.13 -2.27 0.00 0.00 179.45 174.05 1j6y n ARG 75 N -2.94 2.73 0.11 1.90 0.63 0.24 -4.83 116.66 114.50 1j6y n ARG 75 Ca 0.03 -4.05 -0.02 0.00 -0.92 0.00 0.00 57.85 52.89 1j6y n ARG 75 Cb 0.54 -1.94 0.00 0.00 0.45 0.00 0.00 32.46 31.51 1j6y n ARG 75 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1j6y h GLY 76 N 2.63 0.00 0.00 5.14 0.00 0.34 -3.41 103.07 107.77 1j6y h GLY 76 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1j6y h GLY 76 CO 0.69 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.84 1j6y n GLY 77 N 1.09 -1.89 3.12 4.60 0.00 -1.26 -4.42 105.19 106.43 1j6y n GLY 77 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1j6y n GLY 77 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j6y s ASP 78 N -1.95 0.37 -0.01 1.61 -4.77 -1.26 -3.21 116.67 107.45 1j6y s ASP 78 Ca 0.00 -0.88 -0.01 0.00 -3.30 0.00 0.00 52.55 48.36 1j6y s ASP 78 Cb 0.00 0.24 -0.01 0.00 -1.09 0.00 0.00 42.92 42.06 1j6y s ASP 78 CO 0.00 -0.63 0.30 -0.07 0.70 0.00 0.00 175.17 175.47 1j6y h LEU 79 N 3.07 -0.03 0.00 2.11 4.07 -1.25 -3.48 115.31 119.80 1j6y h LEU 79 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.62 1j6y h LEU 79 Cb 1.16 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.91 1j6y h LEU 79 CO 0.62 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 178.61 1j6y n GLY 80 N 1.11 1.10 3.29 0.83 0.00 -1.15 -4.97 105.19 105.40 1j6y n GLY 80 Ca -0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 1j6y n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j6y s SER 81 N -4.00 -0.35 0.00 1.61 1.04 -1.26 -2.75 113.70 107.99 1j6y s SER 81 Ca 0.00 0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.97 1j6y s SER 81 Cb 0.00 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1j6y s SER 81 CO 0.00 -0.28 0.00 2.22 0.98 0.00 0.00 173.24 176.16 1j6y n PHE 82 N 2.17 0.00 0.00 5.02 -1.74 -0.96 -4.91 117.46 117.04 1j6y n PHE 82 Ca -0.17 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.72 1j6y n PHE 82 Cb 0.57 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.57 1j6y n PHE 82 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1j6y n GLY 83 N 0.00 -0.28 3.39 4.97 0.00 -1.26 0.20 105.19 112.21 1j6y n GLY 83 Ca 0.00 0.13 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 1j6y n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j6y s ARG 84 N 0.00 3.05 0.00 1.61 3.00 -1.26 -4.30 118.95 121.05 1j6y s ARG 84 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 55.73 54.47 1j6y s ARG 84 Cb 0.00 -4.21 0.00 0.00 0.00 0.00 0.00 34.95 30.74 1j6y s ARG 84 CO 0.00 -1.35 0.00 0.41 0.00 0.00 0.00 175.30 174.36 1j6y n GLY 85 N 5.24 4.03 4.00 -3.53 0.00 -1.26 -5.11 105.19 108.55 1j6y n GLY 85 Ca -0.10 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 1j6y n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j6y s GLN 86 N 0.00 1.59 0.00 1.61 -1.52 -1.26 -4.30 119.66 115.77 1j6y s GLN 86 Ca 0.00 -1.20 0.00 0.00 -1.95 0.00 0.00 55.36 52.21 1j6y s GLN 86 Cb 0.00 -2.33 0.00 0.00 -0.22 0.00 0.00 33.01 30.46 1j6y s GLN 86 CO 0.00 -1.52 0.00 -1.33 -0.25 0.00 0.00 175.29 172.19 1j6y n MET 87 N -2.87 -2.57 0.00 2.91 2.81 -1.26 -4.57 117.12 111.58 1j6y n MET 87 Ca 0.16 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1j6y n MET 87 Cb 0.61 -3.69 0.00 0.00 -0.71 0.00 0.00 33.22 29.43 1j6y n MET 87 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1j6y n GLN 88 N -2.01 0.00 -0.00 0.03 0.00 -1.26 -3.53 117.38 110.61 1j6y n GLN 88 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.00 57.07 1j6y n GLN 88 Cb 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.53 1j6y n GLN 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1j6y n LYS 89 N 12.17 1.08 0.04 3.69 3.00 -1.26 -4.51 118.16 132.37 1j6y n LYS 89 Ca 0.00 -0.09 -0.02 0.00 -0.00 0.00 0.00 58.31 58.20 1j6y n LYS 89 Cb 0.00 -1.28 -0.01 0.00 0.00 0.00 0.00 35.03 33.74 1j6y n LYS 89 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1j6y h PRO 90 N 0.00 -0.15 -0.25 1.64 0.13 -1.95 -3.09 132.00 128.33 1j6y h PRO 90 Ca 0.00 0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.19 1j6y h PRO 90 Cb 0.55 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 31.64 1j6y h PRO 90 CO 0.00 -0.10 -0.47 0.35 -0.23 0.00 0.00 178.00 177.55 1j6y h PHE 91 N -0.67 -1.38 -0.57 1.56 3.04 -1.85 -2.01 116.94 115.06 1j6y h PHE 91 Ca -0.02 0.06 0.09 0.00 3.98 0.00 0.00 57.97 62.09 1j6y h PHE 91 Cb 0.12 0.64 -0.11 0.00 2.56 0.00 0.00 35.95 39.16 1j6y h PHE 91 CO 0.02 -0.49 -0.41 1.05 -2.02 0.00 0.00 178.31 176.46 1j6y h GLU 92 N -0.45 -0.21 -0.29 1.11 -0.00 -1.73 1.80 114.58 114.81 1j6y h GLU 92 Ca 0.08 0.01 0.08 0.00 -0.00 0.00 0.00 59.36 59.54 1j6y h GLU 92 Cb 0.63 0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 29.41 1j6y h GLU 92 CO -0.49 -0.14 0.59 1.49 -0.00 0.00 0.00 179.01 180.46 1j6y h GLU 93 N -0.22 0.00 0.31 1.06 4.57 -1.29 1.06 114.58 120.06 1j6y h GLU 93 Ca 0.19 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.35 1j6y h GLU 93 Cb 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1j6y h GLU 93 CO -0.68 0.00 -0.15 0.00 -1.18 0.00 0.00 179.01 177.00 1j6y h ALA 94 N 1.09 -0.43 0.00 2.92 0.00 0.32 -0.34 119.26 122.82 1j6y h ALA 94 Ca 0.14 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1j6y h ALA 94 Cb 1.31 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1j6y h ALA 94 CO -0.00 -0.40 -0.30 1.15 0.00 0.00 0.00 179.25 179.70 1j6y h THR 95 N -1.05 0.89 0.00 0.00 2.02 -0.65 -0.38 112.91 113.74 1j6y h THR 95 Ca -0.04 -1.16 -0.04 0.00 0.77 0.00 0.00 66.41 65.94 1j6y h THR 95 Cb 0.32 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1j6y h THR 95 CO 0.07 0.29 -0.17 1.88 0.37 0.00 0.00 175.52 177.96 1j6y h TYR 96 N 0.00 0.00 0.00 3.16 0.05 0.10 -3.33 116.97 116.95 1j6y h TYR 96 Ca -0.00 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 1j6y h TYR 96 Cb 0.67 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.39 1j6y h TYR 96 CO 0.00 0.17 -0.65 0.00 -1.05 0.00 0.00 178.16 176.63 1j6y h ALA 97 N 1.83 0.09 -2.32 3.88 0.00 -0.09 -3.48 119.26 119.18 1j6y h ALA 97 Ca -0.00 -0.69 -0.49 0.00 0.00 0.00 0.00 54.91 53.73 1j6y h ALA 97 Cb 0.95 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1j6y h ALA 97 CO 0.02 0.45 -0.33 -1.17 0.00 0.00 0.00 179.25 178.22 1j6y s LEU 98 N -8.14 4.20 0.00 0.00 0.20 -0.24 -5.08 118.68 109.61 1j6y s LEU 98 Ca -0.18 0.29 0.00 0.00 0.69 0.00 0.00 54.13 54.93 1j6y s LEU 98 Cb 0.03 -3.09 0.00 0.00 -0.43 0.00 0.00 46.19 42.69 1j6y s LEU 98 CO 0.37 -0.12 0.00 2.29 -0.29 0.00 0.00 176.35 178.60 1j6y n LYS 99 N -1.26 0.00 0.00 1.98 2.85 -1.26 -4.61 118.16 115.86 1j6y n LYS 99 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1j6y n LYS 99 Cb 0.56 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.94 1j6y n LYS 99 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1j6y n VAL 100 N 0.00 0.03 1.07 0.58 0.24 -1.26 -4.50 118.33 114.50 1j6y n VAL 100 Ca 0.00 -0.03 0.13 0.00 -2.04 0.00 0.00 64.34 62.40 1j6y n VAL 100 Cb 0.00 1.03 0.47 0.00 -1.47 0.00 0.00 33.84 33.87 1j6y n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1j6y n GLY 101 N -0.02 -1.30 0.00 7.63 0.00 -1.26 -4.00 105.19 106.25 1j6y n GLY 101 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1j6y n GLY 101 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j6y n ASP 102 N -1.40 1.60 -2.54 1.61 8.00 -1.26 -5.06 116.55 117.50 1j6y n ASP 102 Ca 0.08 -0.11 -0.03 0.00 0.71 0.00 0.00 54.79 55.43 1j6y n ASP 102 Cb 0.33 0.55 0.01 0.00 -0.02 0.00 0.00 41.12 41.99 1j6y n ASP 102 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1j6y n ILE 103 N -0.71 -6.72 -2.48 0.53 5.41 -1.26 -4.79 119.36 109.35 1j6y n ILE 103 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.38 1j6y n ILE 103 Cb 0.00 -5.58 -0.00 0.00 -0.71 0.00 0.00 39.64 33.35 1j6y n ILE 103 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1j6y n SER 104 N -1.84 -3.00 -3.33 4.38 2.88 -1.23 -4.59 113.62 106.89 1j6y n SER 104 Ca -0.01 0.01 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1j6y n SER 104 Cb 0.52 -0.02 -0.08 0.00 -0.75 0.00 0.00 64.21 63.88 1j6y n SER 104 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1j6y s ASP 105 N -4.00 1.28 -0.65 -3.46 1.47 -1.26 -4.98 116.67 105.07 1j6y s ASP 105 Ca 0.00 -1.99 -0.14 0.00 1.18 0.00 0.00 52.55 51.60 1j6y s ASP 105 Cb 0.00 0.33 0.02 0.00 -0.34 0.00 0.00 42.92 42.93 1j6y s ASP 105 CO 0.00 -0.23 0.64 -0.38 0.68 0.00 0.00 175.17 175.88 1j6y n ILE 106 N 3.82 -5.61 -2.80 2.11 5.41 -1.26 -4.88 119.36 116.15 1j6y n ILE 106 Ca 0.16 0.09 -0.41 0.00 1.00 0.00 0.00 62.75 63.59 1j6y n ILE 106 Cb 0.45 -4.32 -0.04 0.00 -0.71 0.00 0.00 39.64 35.01 1j6y n ILE 106 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1j6y s VAL 107 N -2.47 4.61 -0.09 1.39 1.01 -0.92 -4.93 120.40 118.99 1j6y s VAL 107 Ca 0.15 1.93 -0.00 0.00 0.00 0.00 0.00 61.98 64.07 1j6y s VAL 107 Cb -0.02 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.12 1j6y s VAL 107 CO 0.85 0.32 -0.06 -1.81 0.00 0.00 0.00 175.10 174.40 1j6y s ASP 108 N 0.08 1.85 0.00 3.32 1.01 -1.26 0.15 116.67 121.82 1j6y s ASP 108 Ca 0.45 -0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.48 1j6y s ASP 108 Cb -0.22 -0.70 0.00 0.00 1.01 0.00 0.00 42.92 43.01 1j6y s ASP 108 CO 0.28 -0.11 0.00 0.35 0.21 0.00 0.00 175.17 175.89 1j6y n THR 109 N 4.76 0.00 0.00 -1.27 -2.24 0.51 -4.90 114.28 111.13 1j6y n THR 109 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1j6y n THR 109 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1j6y n THR 109 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1j6y n ASP 110 N -2.79 0.00 -0.43 3.42 8.00 -1.26 -0.03 116.55 123.46 1j6y n ASP 110 Ca 0.00 0.96 0.38 0.00 0.71 0.00 0.00 54.79 56.83 1j6y n ASP 110 Cb 0.00 -0.46 0.65 0.00 -0.02 0.00 0.00 41.12 41.29 1j6y n ASP 110 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1j6y h SER 111 N 0.00 0.24 0.00 -2.24 0.02 -2.03 -3.46 113.55 106.08 1j6y h SER 111 Ca 0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1j6y h SER 111 Cb 0.00 0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1j6y h SER 111 CO 0.00 -0.30 0.00 0.61 -1.14 0.00 0.00 176.83 176.00 1j6y n GLY 112 N -1.45 0.26 3.73 -3.77 0.00 0.95 -4.71 105.19 100.20 1j6y n GLY 112 Ca 0.39 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1j6y n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j6y s VAL 113 N 0.00 4.46 0.33 1.61 1.01 -1.26 0.19 120.40 126.74 1j6y s VAL 113 Ca 0.00 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.63 1j6y s VAL 113 Cb 0.00 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1j6y s VAL 113 CO 0.00 0.44 0.32 -1.00 0.00 0.00 0.00 175.10 174.86 1j6y s HIS 114 N -1.07 1.58 -0.12 5.22 3.76 0.41 -1.98 115.29 123.09 1j6y s HIS 114 Ca 0.19 -1.57 -0.05 0.00 -0.15 0.00 0.00 55.06 53.48 1j6y s HIS 114 Cb -0.12 -0.56 0.05 0.00 1.11 0.00 0.00 32.58 33.07 1j6y s HIS 114 CO 0.09 -0.93 0.26 0.96 -0.85 0.00 0.00 174.74 174.26 1j6y s ILE 115 N -3.35 -0.20 0.33 0.60 -4.36 -1.08 -2.17 121.20 110.97 1j6y s ILE 115 Ca 0.38 0.20 0.08 0.00 -0.26 0.00 0.00 60.65 61.06 1j6y s ILE 115 Cb 0.02 -0.41 -0.04 0.00 1.25 0.00 0.00 42.46 43.28 1j6y s ILE 115 CO 0.26 0.08 0.19 -0.63 0.24 0.00 0.00 174.94 175.08 1j6y s ILE 116 N 1.76 3.26 -0.30 8.37 1.01 -1.26 -2.06 121.20 131.99 1j6y s ILE 116 Ca -0.05 -1.58 -0.15 0.00 0.00 0.00 0.00 60.65 58.87 1j6y s ILE 116 Cb -0.11 -3.06 0.15 0.00 0.01 0.00 0.00 42.46 39.46 1j6y s ILE 116 CO -0.09 -0.19 0.97 -1.59 0.00 0.00 0.00 174.94 174.04 1j6y s LYS 117 N -3.89 0.34 0.00 2.79 -2.85 -1.14 -3.49 119.74 111.50 1j6y s LYS 117 Ca 0.38 0.72 0.00 0.00 -1.00 0.00 0.00 55.97 56.07 1j6y s LYS 117 Cb -0.04 0.28 0.00 0.00 -2.06 0.00 0.00 37.83 36.01 1j6y s LYS 117 CO 0.24 -0.09 0.00 -2.13 0.10 0.00 0.00 175.35 173.47 1j6y n ARG 118 N 4.39 0.00 -0.05 1.78 0.63 -1.26 -2.31 116.66 119.84 1j6y n ARG 118 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 1j6y n ARG 118 Cb 0.55 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.46 1j6y n ARG 118 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1j6y n THR 119 N 0.00 0.00 0.00 5.15 -1.04 -1.26 -4.93 114.28 112.20 1j6y n THR 119 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1j6y n THR 119 Cb 0.00 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 66.70 1j6y n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43