#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3in7 n LYS 56 N 0.00 -5.08 -2.10 3.17 0.00 -1.26 -4.97 118.16 107.92 3in7 n LYS 56 Ca 0.00 3.69 -0.35 0.00 0.00 0.00 0.00 58.31 61.65 3in7 n LYS 56 Cb 0.00 -4.54 0.02 0.00 0.00 0.00 0.00 35.03 30.51 3in7 n LYS 56 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3in7 s PRO 57 N -0.68 3.12 0.09 1.64 0.04 -1.26 -4.96 135.00 133.00 3in7 s PRO 57 Ca 0.00 1.68 -0.31 0.00 0.04 0.00 0.00 61.00 62.41 3in7 s PRO 57 Cb 0.00 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 3in7 s PRO 57 CO 0.00 -1.05 1.56 -1.01 0.04 0.00 0.00 177.00 176.54 3in7 s HIS 58 N -1.75 2.75 -2.00 0.56 3.76 -1.26 -4.91 115.29 112.44 3in7 s HIS 58 Ca 0.74 0.55 0.06 0.00 -0.15 0.00 0.00 55.06 56.25 3in7 s HIS 58 Cb -0.26 -3.88 0.34 0.00 1.11 0.00 0.00 32.58 29.88 3in7 s HIS 58 CO 0.31 -3.38 1.05 -0.35 -0.85 0.00 0.00 174.74 171.52 3in7 n PRO 59 N 4.93 0.81 0.00 8.40 -0.04 -1.26 -3.69 135.00 144.15 3in7 n PRO 59 Ca 0.14 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.67 3in7 n PRO 59 Cb 0.41 -1.11 -0.02 0.00 -0.04 0.00 0.00 33.50 32.74 3in7 n PRO 59 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3in7 n TRP 60 N -0.61 0.00 -3.36 0.54 4.27 -1.26 -4.70 117.44 112.32 3in7 n TRP 60 Ca 0.04 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.24 3in7 n TRP 60 Cb 0.02 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 29.88 3in7 n TRP 60 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3in7 s PHE 61 N -1.72 3.20 -1.72 -2.67 5.36 -1.24 -0.10 117.98 119.09 3in7 s PHE 61 Ca 0.09 0.05 0.14 0.00 -0.96 0.00 0.00 56.93 56.25 3in7 s PHE 61 Cb 0.10 -2.73 0.11 0.00 -0.34 0.00 0.00 43.02 40.16 3in7 s PHE 61 CO 0.36 -0.45 0.94 1.19 -1.46 0.00 0.00 175.22 175.80 3in7 n PHE 62 N 5.47 0.00 -4.79 10.12 3.01 -0.60 -4.99 117.46 125.69 3in7 n PHE 62 Ca -0.08 -0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 3in7 n PHE 62 Cb 0.49 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.96 3in7 n PHE 62 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3in7 n GLY 63 N 0.78 2.10 3.48 1.37 0.00 -1.26 -4.29 105.19 107.37 3in7 n GLY 63 Ca 0.08 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 45.14 3in7 n GLY 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3in7 s LYS 64 N 0.00 3.87 0.03 1.61 2.20 -1.26 -0.45 119.74 125.74 3in7 s LYS 64 Ca 0.00 -2.14 0.07 0.00 -0.36 0.00 0.00 55.97 53.55 3in7 s LYS 64 Cb 0.00 -5.08 -0.03 0.00 -1.51 0.00 0.00 37.83 31.22 3in7 s LYS 64 CO 0.00 -1.84 -0.20 0.96 -0.36 0.00 0.00 175.35 173.90 3in7 s ILE 65 N 2.45 2.60 0.71 5.43 -4.36 -1.26 -4.99 121.20 121.78 3in7 s ILE 65 Ca 0.40 -1.17 -0.15 0.00 -0.26 0.00 0.00 60.65 59.47 3in7 s ILE 65 Cb -0.03 -2.05 0.03 0.00 1.25 0.00 0.00 42.46 41.66 3in7 s ILE 65 CO -0.03 0.40 1.21 -2.84 0.24 0.00 0.00 174.94 173.91 3in7 s PRO 66 N -1.23 2.24 0.30 0.37 0.02 -1.26 -4.80 135.00 130.64 3in7 s PRO 66 Ca 0.13 1.77 0.02 0.00 0.02 0.00 0.00 61.00 62.94 3in7 s PRO 66 Cb -0.10 -1.84 0.58 0.00 0.02 0.00 0.00 34.50 33.15 3in7 s PRO 66 CO 0.03 -1.76 1.88 -0.09 -0.33 0.00 0.00 177.00 176.74 3in7 h ARG 67 N -0.16 0.94 -0.24 5.54 2.43 -2.00 -1.66 114.38 119.24 3in7 h ARG 67 Ca -0.48 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 58.56 3in7 h ARG 67 Cb 1.30 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 3in7 h ARG 67 CO 0.50 0.62 -0.19 0.00 -1.51 0.00 0.00 179.97 179.40 3in7 h ALA 68 N 1.53 1.24 -0.07 2.80 0.00 -1.99 -2.32 119.26 120.45 3in7 h ALA 68 Ca 0.43 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 3in7 h ALA 68 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3in7 h ALA 68 CO -0.19 0.50 -0.68 -0.22 0.00 0.00 0.00 179.25 178.65 3in7 h LYS 69 N 0.39 0.30 -0.33 0.00 1.63 -1.67 -1.66 116.57 115.22 3in7 h LYS 69 Ca 0.07 -0.24 -0.12 0.00 -0.85 0.00 0.00 60.65 59.52 3in7 h LYS 69 Cb 0.55 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.21 3in7 h LYS 69 CO 0.04 0.87 -0.27 0.00 -3.45 0.00 0.00 179.45 176.64 3in7 h ALA 70 N 1.06 0.91 -0.47 5.00 0.00 -1.20 -2.03 119.26 122.54 3in7 h ALA 70 Ca -0.02 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 3in7 h ALA 70 Cb 1.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3in7 h ALA 70 CO 0.11 0.62 -0.25 0.93 0.00 0.00 0.00 179.25 180.66 3in7 h GLU 71 N 0.59 0.99 -0.08 0.00 5.08 -1.23 -1.67 114.58 118.26 3in7 h GLU 71 Ca 0.08 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3in7 h GLU 71 Cb 0.76 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 3in7 h GLU 71 CO 0.06 1.12 0.04 1.49 -1.00 0.00 0.00 179.01 180.72 3in7 h GLU 72 N 0.85 0.12 -0.13 2.33 4.81 -1.05 -2.79 114.58 118.72 3in7 h GLU 72 Ca 0.10 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3in7 h GLU 72 Cb 0.83 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.19 3in7 h GLU 72 CO 0.07 0.20 -0.09 0.52 -0.73 0.00 0.00 179.01 178.99 3in7 h MET 73 N 0.01 0.28 0.00 1.92 2.86 -1.35 -3.30 114.93 115.35 3in7 h MET 73 Ca 0.03 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 3in7 h MET 73 Cb 0.12 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3in7 h MET 73 CO -0.00 0.65 -0.38 -0.07 1.06 0.00 0.00 176.91 178.17 3in7 h LEU 74 N -0.09 0.00 -1.45 1.22 3.38 -1.36 -2.54 115.31 114.48 3in7 h LEU 74 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3in7 h LEU 74 Cb 0.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3in7 h LEU 74 CO 0.02 0.38 -0.08 0.77 0.09 0.00 0.00 178.44 179.62 3in7 h SER 75 N 0.00 0.00 0.38 -0.43 4.64 -1.58 -1.97 113.55 114.59 3in7 h SER 75 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3in7 h SER 75 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3in7 h SER 75 CO 0.05 0.08 -0.18 0.29 -0.87 0.00 0.00 176.83 176.20 3in7 n LYS 76 N -3.24 0.62 -2.78 4.77 5.02 -0.96 -4.87 118.16 116.72 3in7 n LYS 76 Ca 0.00 -0.27 -0.37 0.00 -2.02 0.00 0.00 58.31 55.65 3in7 n LYS 76 Cb 0.33 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.78 3in7 n LYS 76 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3in7 s GLN 77 N -2.57 4.60 0.37 1.97 -1.52 -0.74 -5.00 119.66 116.78 3in7 s GLN 77 Ca 0.25 1.34 0.20 0.00 -1.95 0.00 0.00 55.36 55.20 3in7 s GLN 77 Cb 0.19 -2.84 0.22 0.00 -0.22 0.00 0.00 33.01 30.37 3in7 s GLN 77 CO 0.51 0.30 1.52 0.00 -0.25 0.00 0.00 175.29 177.37 3in7 h ARG 78 N 3.25 0.00 -6.29 2.91 2.47 -1.89 -3.47 114.38 111.36 3in7 h ARG 78 Ca -0.47 0.00 -0.68 0.00 -1.26 0.00 0.00 59.98 57.57 3in7 h ARG 78 Cb 1.19 0.00 -0.20 0.00 -1.65 0.00 0.00 29.97 29.31 3in7 h ARG 78 CO 0.65 0.19 -0.73 -1.01 0.56 0.00 0.00 179.97 179.63 3in7 s HIS 79 N -3.12 2.81 0.19 3.04 3.76 -1.26 -5.10 115.29 115.62 3in7 s HIS 79 Ca 0.06 -0.08 -0.30 0.00 -0.15 0.00 0.00 55.06 54.59 3in7 s HIS 79 Cb 0.06 -1.63 -0.08 0.00 1.11 0.00 0.00 32.58 32.04 3in7 s HIS 79 CO 0.70 0.30 1.24 -0.51 -0.85 0.00 0.00 174.74 175.63 3in7 s ASP 80 N -1.07 7.00 0.00 1.40 -0.00 -1.26 -2.60 116.67 120.14 3in7 s ASP 80 Ca 0.14 2.30 0.00 0.00 -0.00 0.00 0.00 52.55 54.99 3in7 s ASP 80 Cb -0.11 -2.61 0.00 0.00 -0.00 0.00 0.00 42.92 40.20 3in7 s ASP 80 CO 0.04 -0.44 0.00 0.61 -0.00 0.00 0.00 175.17 175.38 3in7 n GLY 81 N 2.25 0.36 3.70 0.21 0.00 0.00 -4.81 105.19 106.91 3in7 n GLY 81 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3in7 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3in7 s ALA 82 N -2.00 3.76 0.33 4.61 0.00 -1.07 -1.13 121.76 126.26 3in7 s ALA 82 Ca 0.00 1.34 0.06 0.00 0.00 0.00 0.00 51.96 53.36 3in7 s ALA 82 Cb 0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 3in7 s ALA 82 CO 0.00 -0.96 0.32 1.97 0.00 0.00 0.00 175.76 177.08 3in7 n PHE 83 N 4.77 -0.91 -3.49 0.00 1.16 -1.20 -0.73 117.46 117.05 3in7 n PHE 83 Ca 0.15 -2.71 -0.13 0.00 -1.87 0.00 0.00 57.45 52.90 3in7 n PHE 83 Cb 0.39 0.34 -0.04 0.00 -1.61 0.00 0.00 39.48 38.56 3in7 n PHE 83 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 3in7 s LEU 84 N 0.00 -0.53 -0.13 5.98 0.05 -0.94 -4.42 118.68 118.70 3in7 s LEU 84 Ca 0.38 0.28 0.00 0.00 0.05 0.00 0.00 54.13 54.85 3in7 s LEU 84 Cb 0.01 2.35 -0.01 0.00 -2.05 0.00 0.00 46.19 46.50 3in7 s LEU 84 CO 0.27 -0.69 -0.15 -0.63 -0.55 0.00 0.00 176.35 174.60 3in7 s ILE 85 N -2.43 2.90 0.15 1.48 -1.09 0.85 -1.96 121.20 121.09 3in7 s ILE 85 Ca -0.02 -0.72 0.06 0.00 -2.23 0.00 0.00 60.65 57.74 3in7 s ILE 85 Cb -0.01 -2.20 -0.04 0.00 -1.58 0.00 0.00 42.46 38.63 3in7 s ILE 85 CO -0.03 0.53 -0.13 0.00 -1.23 0.00 0.00 174.94 174.08 3in7 s ARG 86 N 0.35 1.09 -0.29 2.79 1.70 -0.20 -1.56 118.95 122.84 3in7 s ARG 86 Ca -0.12 -1.38 -0.22 0.00 -0.47 0.00 0.00 55.73 53.53 3in7 s ARG 86 Cb -0.16 -0.84 -0.00 0.00 -0.57 0.00 0.00 34.95 33.37 3in7 s ARG 86 CO 0.06 0.14 0.74 -1.21 -1.08 0.00 0.00 175.30 173.95 3in7 s GLU 87 N -3.24 4.00 0.19 3.89 2.02 0.41 -0.03 118.70 125.94 3in7 s GLU 87 Ca 0.14 0.56 -0.33 0.00 0.02 0.00 0.00 54.97 55.37 3in7 s GLU 87 Cb -0.01 -3.71 -0.14 0.00 0.10 0.00 0.00 34.13 30.37 3in7 s GLU 87 CO 0.03 -0.60 1.48 0.45 0.02 0.00 0.00 175.26 176.64 3in7 n SER 88 N 6.04 2.81 -0.02 -0.19 2.88 -0.39 -4.40 113.62 120.36 3in7 n SER 88 Ca 0.02 1.11 -0.12 0.00 -1.33 0.00 0.00 58.87 58.55 3in7 n SER 88 Cb 0.48 -1.41 -0.14 0.00 -0.75 0.00 0.00 64.21 62.40 3in7 n SER 88 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3in7 n GLU 89 N 2.75 0.67 0.12 -1.46 1.02 -1.26 -3.67 120.64 118.81 3in7 n GLU 89 Ca 0.15 0.26 -0.02 0.00 -0.02 0.00 0.00 57.16 57.54 3in7 n GLU 89 Cb 0.29 -1.75 0.09 0.00 -0.02 0.00 0.00 31.44 30.05 3in7 n GLU 89 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3in7 h SER 90 N 0.02 0.00 -2.72 1.62 4.64 -1.99 -3.36 113.55 111.77 3in7 h SER 90 Ca -0.35 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.37 3in7 h SER 90 Cb 2.03 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 63.72 3in7 h SER 90 CO 0.07 0.69 -0.77 0.00 -0.87 0.00 0.00 176.83 175.95 3in7 n ALA 91 N -2.35 3.15 -1.67 5.18 0.00 -1.26 -5.12 120.51 118.44 3in7 n ALA 91 Ca -0.00 -3.83 -0.46 0.00 0.00 0.00 0.00 53.44 49.15 3in7 n ALA 91 Cb 0.72 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 19.24 3in7 n ALA 91 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3in7 n PRO 92 N 2.37 2.16 0.00 0.00 -0.02 -1.24 -2.22 135.00 136.05 3in7 n PRO 92 Ca 0.25 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 3in7 n PRO 92 Cb 0.41 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3in7 n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3in7 n GLY 93 N 3.26 1.95 3.90 -1.23 0.00 -1.26 -5.06 105.19 106.75 3in7 n GLY 93 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 3in7 n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3in7 s ASP 94 N -1.48 5.45 0.23 1.61 1.01 -0.94 -5.03 116.67 117.52 3in7 s ASP 94 Ca 0.00 -0.44 0.08 0.00 0.71 0.00 0.00 52.55 52.90 3in7 s ASP 94 Cb 0.00 -0.99 -0.04 0.00 1.01 0.00 0.00 42.92 42.90 3in7 s ASP 94 CO 0.00 -0.41 0.06 -0.36 0.21 0.00 0.00 175.17 174.67 3in7 s PHE 95 N -2.29 2.88 -0.01 4.23 0.40 -1.26 -1.26 117.98 120.68 3in7 s PHE 95 Ca 0.43 -0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.63 3in7 s PHE 95 Cb -0.07 -1.32 -0.01 0.00 0.51 0.00 0.00 43.02 42.13 3in7 s PHE 95 CO 0.28 0.56 -0.08 -1.12 0.70 0.00 0.00 175.22 175.56 3in7 s SER 96 N -3.49 0.93 -0.21 1.36 0.01 0.96 -1.93 113.70 111.34 3in7 s SER 96 Ca 0.31 -0.15 -0.06 0.00 1.31 0.00 0.00 55.95 57.36 3in7 s SER 96 Cb -0.08 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.02 3in7 s SER 96 CO 0.21 0.10 0.03 -0.22 0.41 0.00 0.00 173.24 173.77 3in7 s LEU 97 N -0.20 3.38 -0.10 2.44 2.96 0.49 -1.03 118.68 126.62 3in7 s LEU 97 Ca 0.03 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 3in7 s LEU 97 Cb -0.03 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 3in7 s LEU 97 CO -0.00 0.05 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.47 3in7 s SER 98 N 1.11 3.80 -0.00 3.68 0.01 -0.83 0.07 113.70 121.54 3in7 s SER 98 Ca 0.03 -0.34 0.01 0.00 1.31 0.00 0.00 55.95 56.96 3in7 s SER 98 Cb -0.14 -1.32 -0.00 0.00 0.21 0.00 0.00 66.02 64.77 3in7 s SER 98 CO 0.02 0.22 -0.03 -0.69 0.41 0.00 0.00 173.24 173.17 3in7 s VAL 99 N 0.03 0.27 0.11 3.43 1.01 0.15 -2.21 120.40 123.20 3in7 s VAL 99 Ca -0.06 -0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 3in7 s VAL 99 Cb -0.15 -0.24 -0.07 0.00 0.00 0.00 0.00 36.38 35.92 3in7 s VAL 99 CO 0.05 0.08 0.84 -0.75 0.00 0.00 0.00 175.10 175.32 3in7 s LYS 100 N -0.01 4.61 -0.26 2.72 2.20 0.09 -0.28 119.74 128.81 3in7 s LYS 100 Ca 0.01 1.24 -0.02 0.00 -0.36 0.00 0.00 55.97 56.83 3in7 s LYS 100 Cb -0.02 -3.33 0.15 0.00 -1.51 0.00 0.00 37.83 33.12 3in7 s LYS 100 CO -0.00 0.36 0.45 0.12 -0.36 0.00 0.00 175.35 175.92 3in7 s PHE 101 N -0.44 -1.09 0.00 4.03 2.19 -0.60 -0.82 117.98 121.24 3in7 s PHE 101 Ca 0.40 1.10 0.00 0.00 0.33 0.00 0.00 56.93 58.76 3in7 s PHE 101 Cb -0.22 0.19 0.00 0.00 -1.31 0.00 0.00 43.02 41.68 3in7 s PHE 101 CO 0.27 -0.78 0.00 0.41 1.83 0.00 0.00 175.22 176.94 3in7 n GLY 102 N 5.39 3.43 1.19 13.12 0.00 -1.26 -1.53 105.19 125.52 3in7 n GLY 102 Ca -0.03 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.00 3in7 n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3in7 n ASN 103 N 8.05 3.62 -4.65 1.61 5.15 -1.26 -4.95 115.26 122.82 3in7 n ASN 103 Ca 0.00 -1.98 -0.25 0.00 -0.60 0.00 0.00 54.58 51.74 3in7 n ASN 103 Cb 0.00 -0.35 -0.09 0.00 -0.53 0.00 0.00 39.78 38.81 3in7 n ASN 103 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3in7 s ASP 104 N -1.21 4.17 -0.19 1.20 2.15 -0.58 -5.08 116.67 117.13 3in7 s ASP 104 Ca 0.42 -1.09 -0.01 0.00 0.43 0.00 0.00 52.55 52.30 3in7 s ASP 104 Cb 0.23 -0.49 0.05 0.00 -0.30 0.00 0.00 42.92 42.41 3in7 s ASP 104 CO 0.31 -0.35 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.24 3in7 s VAL 105 N -2.58 1.05 0.18 1.11 1.01 -1.26 -1.56 120.40 118.36 3in7 s VAL 105 Ca 0.36 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 3in7 s VAL 105 Cb 0.03 -1.33 -0.07 0.00 0.00 0.00 0.00 36.38 35.00 3in7 s VAL 105 CO 0.20 -0.01 0.56 -1.10 0.00 0.00 0.00 175.10 174.74 3in7 s GLN 106 N 1.64 3.91 -0.07 2.72 -0.21 0.62 -4.88 119.66 123.39 3in7 s GLN 106 Ca -0.01 0.41 0.05 0.00 0.02 0.00 0.00 55.36 55.84 3in7 s GLN 106 Cb -0.17 -2.80 -0.01 0.00 1.00 0.00 0.00 33.01 31.03 3in7 s GLN 106 CO -0.07 0.40 -0.24 -1.01 -2.12 0.00 0.00 175.29 172.25 3in7 s HIS 107 N -1.62 2.49 0.02 0.91 3.76 -1.26 -0.68 115.29 118.91 3in7 s HIS 107 Ca 0.42 -0.78 0.07 0.00 -0.15 0.00 0.00 55.06 54.62 3in7 s HIS 107 Cb -0.13 -1.63 -0.02 0.00 1.11 0.00 0.00 32.58 31.90 3in7 s HIS 107 CO 0.20 -0.25 -0.21 -0.06 -0.85 0.00 0.00 174.74 173.57 3in7 s PHE 108 N -0.05 1.82 -0.15 1.40 0.40 0.11 -5.00 117.98 116.51 3in7 s PHE 108 Ca -0.07 -0.36 -0.18 0.00 -0.60 0.00 0.00 56.93 55.72 3in7 s PHE 108 Cb -0.15 -1.11 -0.04 0.00 0.51 0.00 0.00 43.02 42.23 3in7 s PHE 108 CO 0.05 0.05 0.48 0.21 0.70 0.00 0.00 175.22 176.71 3in7 s LYS 109 N -0.95 4.28 -0.45 0.44 2.20 -1.26 -0.38 119.74 123.61 3in7 s LYS 109 Ca 0.08 0.41 -0.23 0.00 -0.36 0.00 0.00 55.97 55.87 3in7 s LYS 109 Cb -0.08 -3.49 0.03 0.00 -1.51 0.00 0.00 37.83 32.78 3in7 s LYS 109 CO 0.01 0.04 0.78 0.08 -0.36 0.00 0.00 175.35 175.90 3in7 s VAL 110 N 1.02 4.65 0.20 4.02 1.01 -0.81 -4.70 120.40 125.78 3in7 s VAL 110 Ca 0.25 0.41 -0.11 0.00 0.00 0.00 0.00 61.98 62.52 3in7 s VAL 110 Cb -0.15 -4.33 -0.07 0.00 0.00 0.00 0.00 36.38 31.83 3in7 s VAL 110 CO 0.10 -0.73 0.55 -0.76 0.00 0.00 0.00 175.10 174.25 3in7 s LEU 111 N 3.29 4.23 -0.06 3.92 1.43 -0.10 -4.31 118.68 127.08 3in7 s LEU 111 Ca 0.30 0.97 0.02 0.00 -1.03 0.00 0.00 54.13 54.38 3in7 s LEU 111 Cb -0.12 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.59 3in7 s LEU 111 CO 0.22 -0.01 -0.10 -0.60 0.23 0.00 0.00 176.35 176.10 3in7 s ARG 112 N -2.50 1.45 0.00 1.70 3.52 -1.26 -0.31 118.95 121.54 3in7 s ARG 112 Ca 0.44 -0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.72 3in7 s ARG 112 Cb -0.12 -1.26 0.00 0.00 -1.56 0.00 0.00 34.95 32.01 3in7 s ARG 112 CO 0.20 -0.02 0.00 -0.40 -0.81 0.00 0.00 175.30 174.27 3in7 n ASP 113 N 3.94 0.00 0.13 -2.12 5.68 -0.77 -4.94 116.55 118.47 3in7 n ASP 113 Ca -0.23 -0.80 0.13 0.00 -0.50 0.00 0.00 54.79 53.39 3in7 n ASP 113 Cb 0.51 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.92 3in7 n ASP 113 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3in7 h GLY 114 N 0.00 0.00 -0.00 6.12 0.00 -2.02 -2.85 103.07 104.32 3in7 h GLY 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3in7 h GLY 114 CO 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 176.54 176.23 3in7 n ALA 115 N -1.81 3.19 -0.69 3.60 0.00 -1.26 -4.95 120.51 118.60 3in7 n ALA 115 Ca 0.04 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3in7 n ALA 115 Cb 0.37 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3in7 n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3in7 n GLY 116 N 1.36 0.67 3.77 0.00 0.00 -1.07 -5.05 105.19 104.87 3in7 n GLY 116 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3in7 n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3in7 s LYS 117 N -0.31 4.45 0.25 1.61 1.02 -1.26 -4.81 119.74 120.68 3in7 s LYS 117 Ca 0.00 1.01 -0.17 0.00 0.02 0.00 0.00 55.97 56.83 3in7 s LYS 117 Cb 0.00 -3.29 -0.08 0.00 -0.52 0.00 0.00 37.83 33.94 3in7 s LYS 117 CO 0.00 0.50 0.69 0.71 -0.92 0.00 0.00 175.35 176.33 3in7 s TYR 118 N -0.80 3.53 0.14 3.18 1.51 0.11 -1.85 117.35 123.19 3in7 s TYR 118 Ca 0.35 1.25 -0.24 0.00 -1.01 0.00 0.00 57.07 57.42 3in7 s TYR 118 Cb -0.21 -2.53 0.07 0.00 -0.11 0.00 0.00 41.96 39.17 3in7 s TYR 118 CO 0.23 0.26 0.65 -0.59 -1.11 0.00 0.00 175.55 174.99 3in7 s PHE 119 N -1.69 -0.49 -0.11 2.71 -0.12 0.57 -0.34 117.98 118.51 3in7 s PHE 119 Ca 0.46 0.28 -0.03 0.00 -0.05 0.00 0.00 56.93 57.59 3in7 s PHE 119 Cb -0.14 0.57 -0.06 0.00 -0.63 0.00 0.00 43.02 42.76 3in7 s PHE 119 CO 0.19 -0.83 -0.12 1.28 -0.05 0.00 0.00 175.22 175.69 3in7 n LEU 120 N -0.37 1.63 0.00 -1.99 4.77 -1.26 -0.92 117.00 118.86 3in7 n LEU 120 Ca -0.15 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3in7 n LEU 120 Cb 0.64 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3in7 n LEU 120 CO 0.12 0.40 0.00 0.79 -1.33 0.00 0.00 177.39 177.37 3in7 n TRP 121 N -3.23 0.00 0.00 -1.77 7.02 -1.26 -4.91 117.44 113.28 3in7 n TRP 121 Ca -0.21 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.27 3in7 n TRP 121 Cb 0.67 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.56 3in7 n TRP 121 CO 0.00 0.00 0.00 1.33 -2.02 0.00 0.00 177.69 177.00 3in7 n VAL 122 N -0.36 0.00 -1.96 -0.99 0.24 -1.26 -5.04 118.33 108.95 3in7 n VAL 122 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 3in7 n VAL 122 Cb 0.00 -0.72 -0.03 0.00 -1.47 0.00 0.00 33.84 31.62 3in7 n VAL 122 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3in7 s VAL 123 N -1.91 2.99 -0.03 3.34 1.01 -1.26 -5.01 120.40 119.52 3in7 s VAL 123 Ca 0.00 0.54 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 3in7 s VAL 123 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3in7 s VAL 123 CO 0.00 0.01 0.10 -0.54 0.00 0.00 0.00 175.10 174.67 3in7 s LYS 124 N 2.15 3.19 0.06 2.72 1.02 -1.26 -4.44 119.74 123.18 3in7 s LYS 124 Ca 0.72 -0.39 0.06 0.00 0.02 0.00 0.00 55.97 56.38 3in7 s LYS 124 Cb -0.40 -2.95 -0.03 0.00 -0.52 0.00 0.00 37.83 33.93 3in7 s LYS 124 CO 0.31 0.68 -0.17 -0.06 -0.92 0.00 0.00 175.35 175.20 3in7 s PHE 125 N -1.16 1.47 -0.35 3.18 0.40 0.54 -4.96 117.98 117.09 3in7 s PHE 125 Ca 0.21 -0.40 0.25 0.00 -0.60 0.00 0.00 56.93 56.40 3in7 s PHE 125 Cb -0.12 -0.84 0.58 0.00 0.51 0.00 0.00 43.02 43.14 3in7 s PHE 125 CO 0.12 0.09 1.69 -0.91 0.70 0.00 0.00 175.22 176.91 3in7 h ASN 126 N 4.58 0.00 -5.28 1.36 2.35 -1.93 0.33 115.58 116.99 3in7 h ASN 126 Ca -0.41 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.22 3in7 h ASN 126 Cb 1.18 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 39.42 3in7 h ASN 126 CO 0.42 0.00 -0.41 -0.94 -1.65 0.00 0.00 177.43 174.85 3in7 s SER 127 N -5.97 0.12 0.28 5.81 1.04 -1.26 -4.81 113.70 108.91 3in7 s SER 127 Ca 0.06 -0.91 0.09 0.00 0.48 0.00 0.00 55.95 55.67 3in7 s SER 127 Cb 0.06 0.38 0.38 0.00 0.10 0.00 0.00 66.02 66.95 3in7 s SER 127 CO 0.64 -0.82 1.63 -0.07 0.98 0.00 0.00 173.24 175.59 3in7 h LEU 128 N 2.67 0.08 -0.61 2.42 3.38 -1.97 -2.52 115.31 118.76 3in7 h LEU 128 Ca -0.33 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.55 3in7 h LEU 128 Cb 1.21 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 3in7 h LEU 128 CO 0.52 0.64 0.21 -1.13 0.09 0.00 0.00 178.44 178.77 3in7 h ASN 129 N 0.06 0.86 0.33 -0.43 -0.00 -1.99 -0.82 115.58 113.58 3in7 h ASN 129 Ca -0.00 -0.19 -0.11 0.00 -0.00 0.00 0.00 56.30 55.99 3in7 h ASN 129 Cb 1.03 -0.22 -0.01 0.00 -0.00 0.00 0.00 38.32 39.11 3in7 h ASN 129 CO 0.08 0.82 -0.47 -0.33 -0.00 0.00 0.00 177.43 177.53 3in7 h GLU 130 N 0.85 0.17 -0.08 6.67 5.08 -1.92 -1.12 114.58 124.23 3in7 h GLU 130 Ca 0.20 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3in7 h GLU 130 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3in7 h GLU 130 CO -0.01 0.61 -0.06 1.25 -1.00 0.00 0.00 179.01 179.80 3in7 h LEU 131 N 0.14 0.19 -0.00 1.33 6.46 -1.01 -2.53 115.31 119.88 3in7 h LEU 131 Ca 0.01 -0.46 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 3in7 h LEU 131 Cb 0.89 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.76 3in7 h LEU 131 CO 0.07 0.60 -0.01 0.58 -0.62 0.00 0.00 178.44 179.06 3in7 h VAL 132 N -0.23 0.97 -0.79 1.05 2.07 -1.04 -2.31 116.25 115.97 3in7 h VAL 132 Ca 0.01 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 3in7 h VAL 132 Cb 0.55 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3in7 h VAL 132 CO 0.02 0.00 0.30 0.44 0.02 0.00 0.00 177.57 178.35 3in7 h ASP 133 N -0.02 1.10 -0.61 0.57 3.32 -1.26 -2.67 116.42 116.84 3in7 h ASP 133 Ca 0.01 -0.18 -0.09 0.00 0.02 0.00 0.00 57.03 56.79 3in7 h ASP 133 Cb 0.03 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3in7 h ASP 133 CO -0.02 0.98 0.06 0.22 -1.72 0.00 0.00 179.24 178.76 3in7 h TYR 134 N 1.15 1.14 0.00 4.55 3.20 -1.42 -2.87 116.97 122.72 3in7 h TYR 134 Ca 0.26 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3in7 h TYR 134 Cb 0.23 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.20 3in7 h TYR 134 CO 0.02 0.98 0.00 0.72 -1.64 0.00 0.00 178.16 178.24 3in7 n HIS 135 N -4.20 0.00 0.00 -3.82 8.25 -0.87 -2.16 115.22 112.42 3in7 n HIS 135 Ca 0.04 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.45 3in7 n HIS 135 Cb 0.31 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 31.30 3in7 n HIS 135 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3in7 n ARG 136 N -0.46 0.63 -0.00 -0.41 1.74 -1.08 -1.38 116.66 115.69 3in7 n ARG 136 Ca 0.00 0.27 0.06 0.00 -0.77 0.00 0.00 57.85 57.40 3in7 n ARG 136 Cb 0.02 -1.80 -0.07 0.00 -1.02 0.00 0.00 32.46 29.58 3in7 n ARG 136 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3in7 n SER 137 N -2.98 1.09 -4.04 0.55 3.41 -1.09 -4.42 113.62 106.15 3in7 n SER 137 Ca -0.13 -0.53 -0.23 0.00 -0.26 0.00 0.00 58.87 57.72 3in7 n SER 137 Cb 0.95 1.17 -0.16 0.00 -0.26 0.00 0.00 64.21 65.91 3in7 n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3in7 s THR 138 N -2.30 1.04 0.37 6.66 2.01 -0.92 -5.09 115.64 117.40 3in7 s THR 138 Ca 0.02 -0.48 -0.28 0.00 0.31 0.00 0.00 61.69 61.26 3in7 s THR 138 Cb 0.08 -0.92 -0.11 0.00 0.01 0.00 0.00 72.50 71.56 3in7 s THR 138 CO 0.47 0.32 1.42 -0.24 -0.69 0.00 0.00 174.62 175.90 3in7 n SER 139 N 3.42 3.43 0.15 3.53 2.88 -1.26 -4.26 113.62 121.53 3in7 n SER 139 Ca -0.20 1.22 0.09 0.00 -1.33 0.00 0.00 58.87 58.65 3in7 n SER 139 Cb 0.53 -1.57 0.07 0.00 -0.75 0.00 0.00 64.21 62.49 3in7 n SER 139 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 3in7 h VAL 140 N 2.79 0.24 -2.67 2.46 -1.51 -1.73 -3.46 116.25 112.37 3in7 h VAL 140 Ca -0.49 -1.36 -0.67 0.00 -1.23 0.00 0.00 66.70 62.94 3in7 h VAL 140 Cb 1.26 1.97 -0.07 0.00 -2.13 0.00 0.00 31.29 32.31 3in7 h VAL 140 CO 0.63 0.13 -0.49 -0.55 -1.23 0.00 0.00 177.57 176.07 3in7 s SER 141 N -6.00 6.34 0.00 4.19 0.15 -1.26 -4.98 113.70 112.14 3in7 s SER 141 Ca 0.03 0.46 0.26 0.00 0.70 0.00 0.00 55.95 57.40 3in7 s SER 141 Cb 0.07 -2.05 0.67 0.00 -1.71 0.00 0.00 66.02 63.01 3in7 s SER 141 CO 0.73 0.41 1.52 0.54 1.20 0.00 0.00 173.24 177.64 3in7 n ARG 142 N 1.99 0.41 -0.08 5.44 1.74 -1.26 -4.33 116.66 120.57 3in7 n ARG 142 Ca -0.20 -0.23 -0.07 0.00 -0.77 0.00 0.00 57.85 56.57 3in7 n ARG 142 Cb 0.55 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.47 3in7 n ARG 142 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3in7 n ASN 143 N -1.09 1.81 -4.81 0.55 4.13 -1.26 -5.06 115.26 109.53 3in7 n ASN 143 Ca 0.09 0.42 -0.27 0.00 1.68 0.00 0.00 54.58 56.50 3in7 n ASN 143 Cb 0.34 -0.77 -0.05 0.00 -1.54 0.00 0.00 39.78 37.76 3in7 n ASN 143 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3in7 s GLN 144 N -2.60 2.24 -0.80 3.52 1.11 -1.26 -5.09 119.66 116.78 3in7 s GLN 144 Ca -0.23 -2.04 -0.14 0.00 0.01 0.00 0.00 55.36 52.96 3in7 s GLN 144 Cb 0.03 -1.93 0.21 0.00 -1.01 0.00 0.00 33.01 30.31 3in7 s GLN 144 CO 0.34 -0.38 0.74 -0.65 0.01 0.00 0.00 175.29 175.35 3in7 s GLN 145 N -4.06 3.53 -0.25 2.91 -1.52 -1.26 -4.29 119.66 114.72 3in7 s GLN 145 Ca 0.30 -2.36 -0.02 0.00 -1.95 0.00 0.00 55.36 51.32 3in7 s GLN 145 Cb 0.01 -4.42 0.02 0.00 -0.22 0.00 0.00 33.01 28.40 3in7 s GLN 145 CO 0.18 -1.30 -0.05 0.42 -0.25 0.00 0.00 175.29 174.28 3in7 s ILE 146 N 0.37 3.03 -0.15 1.08 1.01 -1.26 -5.05 121.20 120.23 3in7 s ILE 146 Ca 0.16 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 3in7 s ILE 146 Cb -0.12 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 3in7 s ILE 146 CO -0.08 0.22 0.00 -0.36 0.00 0.00 0.00 174.94 174.73 3in7 s PHE 147 N 1.36 3.12 0.10 3.97 0.40 -1.26 -2.23 117.98 123.43 3in7 s PHE 147 Ca 0.01 -0.10 -0.31 0.00 -0.60 0.00 0.00 56.93 55.93 3in7 s PHE 147 Cb -0.16 -1.97 -0.07 0.00 0.51 0.00 0.00 43.02 41.32 3in7 s PHE 147 CO -0.04 0.11 1.38 -0.51 0.70 0.00 0.00 175.22 176.86 3in7 s LEU 148 N 0.16 4.36 0.00 -0.37 1.43 -0.48 -4.28 118.68 119.51 3in7 s LEU 148 Ca 0.01 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 3in7 s LEU 148 Cb -0.13 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.50 3in7 s LEU 148 CO 0.02 -0.65 -0.02 0.00 0.23 0.00 0.00 176.35 175.93 3in7 s ARG 149 N 1.30 0.14 0.45 1.70 1.70 -0.28 -4.40 118.95 119.55 3in7 s ARG 149 Ca 0.64 -0.14 -0.25 0.00 -0.47 0.00 0.00 55.73 55.51 3in7 s ARG 149 Cb -0.36 -0.07 -0.09 0.00 -0.57 0.00 0.00 34.95 33.86 3in7 s ARG 149 CO 0.30 0.02 1.31 -0.25 -1.08 0.00 0.00 175.30 175.59 3in7 n ASP 150 N 2.80 2.69 -4.70 -2.89 8.00 -1.26 -3.22 116.55 117.98 3in7 n ASP 150 Ca -0.14 1.09 -0.31 0.00 0.71 0.00 0.00 54.79 56.14 3in7 n ASP 150 Cb 0.59 -1.53 0.14 0.00 -0.02 0.00 0.00 41.12 40.30 3in7 n ASP 150 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3in7 s ILE 151 N -1.22 2.58 -0.06 0.53 -4.36 -1.26 -4.86 121.20 112.55 3in7 s ILE 151 Ca 0.63 0.19 0.03 0.00 -0.26 0.00 0.00 60.65 61.24 3in7 s ILE 151 Cb -0.48 -2.44 -0.02 0.00 1.25 0.00 0.00 42.46 40.77 3in7 s ILE 151 CO 0.56 -0.25 -0.14 -1.61 0.24 0.00 0.00 174.94 173.75 3in7 s GLU 152 N -4.76 2.64 0.31 0.37 2.02 -1.26 -5.08 118.70 112.93 3in7 s GLU 152 Ca 0.64 -0.69 0.03 0.00 0.02 0.00 0.00 54.97 54.98 3in7 s GLU 152 Cb -0.20 -2.42 -0.01 0.00 0.10 0.00 0.00 34.13 31.59 3in7 s GLU 152 CO 0.58 0.57 0.12 1.04 0.02 0.00 0.00 175.26 177.58 3in7 n GLN 153 N 2.48 0.63 0.00 1.61 6.02 -1.26 -5.05 117.38 121.81 3in7 n GLN 153 Ca -0.17 -2.63 0.00 0.00 -0.01 0.00 0.00 57.00 54.19 3in7 n GLN 153 Cb 0.52 1.50 0.00 0.00 1.02 0.00 0.00 30.24 33.28 3in7 n GLN 153 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60