#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1msn s GLN 2 N 0.00 3.08 -0.23 -0.52 0.74 -1.26 -5.11 119.66 116.37 1msn s GLN 2 Ca 0.00 -0.82 -0.04 0.00 0.05 0.00 0.00 55.36 54.55 1msn s GLN 2 Cb 0.00 -2.49 -0.01 0.00 1.10 0.00 0.00 33.01 31.61 1msn s GLN 2 CO 0.00 -0.00 -0.03 0.42 -0.55 0.00 0.00 175.29 175.12 1msn s ILE 3 N 0.81 3.41 0.70 -2.34 -1.09 -1.26 -5.11 121.20 116.32 1msn s ILE 3 Ca -0.07 -0.52 -0.09 0.00 -2.23 0.00 0.00 60.65 57.75 1msn s ILE 3 Cb -0.15 -2.57 0.04 0.00 -1.58 0.00 0.00 42.46 38.20 1msn s ILE 3 CO -0.01 0.39 1.05 0.42 -1.23 0.00 0.00 174.94 175.55 1msn s THR 4 N 1.48 2.80 -0.22 2.92 -4.23 -1.26 -5.02 115.64 112.10 1msn s THR 4 Ca 0.05 0.02 0.13 0.00 -1.18 0.00 0.00 61.69 60.72 1msn s THR 4 Cb -0.15 -3.21 0.49 0.00 1.34 0.00 0.00 72.50 70.97 1msn s THR 4 CO -0.03 -0.25 1.41 0.18 -0.54 0.00 0.00 174.62 175.39 1msn n LEU 5 N -2.95 3.79 0.22 4.79 4.77 -1.26 -4.58 117.00 121.76 1msn n LEU 5 Ca 0.07 -3.38 0.07 0.00 -0.03 0.00 0.00 56.01 52.74 1msn n LEU 5 Cb 0.59 -0.57 0.49 0.00 -2.33 0.00 0.00 43.42 41.60 1msn n LEU 5 CO 0.55 0.95 0.81 -0.50 -1.33 0.00 0.00 177.39 177.87 1msn h TRP 6 N 1.22 0.00 -2.58 -1.77 4.06 -2.06 -3.43 115.95 111.38 1msn h TRP 6 Ca 0.10 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.54 1msn h TRP 6 Cb 1.48 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.50 1msn h TRP 6 CO 0.68 0.27 -0.67 0.15 -3.56 0.00 0.00 178.44 175.31 1msn s LYS 7 N -4.10 1.59 0.30 0.49 1.02 -1.26 -5.10 119.74 112.67 1msn s LYS 7 Ca -0.02 -1.82 -0.30 0.00 0.02 0.00 0.00 55.97 53.85 1msn s LYS 7 Cb 0.13 -1.18 -0.12 0.00 -0.52 0.00 0.00 37.83 36.14 1msn s LYS 7 CO 0.67 0.02 1.52 0.54 -0.92 0.00 0.00 175.35 177.17 1msn n ARG 8 N -0.62 2.51 -1.50 1.68 1.74 -1.26 -4.84 116.66 114.37 1msn n ARG 8 Ca -0.05 0.89 -0.40 0.00 -0.77 0.00 0.00 57.85 57.52 1msn n ARG 8 Cb 0.64 -2.62 -0.02 0.00 -1.02 0.00 0.00 32.46 29.44 1msn n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1msn n PRO 9 N 1.76 2.92 -3.11 5.56 -0.04 -1.26 -4.92 135.00 135.92 1msn n PRO 9 Ca 0.08 -2.35 -0.40 0.00 -0.04 0.00 0.00 63.50 60.79 1msn n PRO 9 Cb 0.36 -3.07 -0.05 0.00 -0.04 0.00 0.00 33.50 30.70 1msn n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1msn s LEU 10 N 1.40 4.21 0.39 1.53 1.43 -1.26 -1.66 118.68 124.71 1msn s LEU 10 Ca 0.54 0.95 0.04 0.00 -1.03 0.00 0.00 54.13 54.63 1msn s LEU 10 Cb 0.15 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 1msn s LEU 10 CO -0.06 -0.21 0.06 0.68 0.23 0.00 0.00 176.35 177.06 1msn s VAL 11 N 1.50 1.12 -0.18 -1.59 -7.23 0.63 -4.93 120.40 109.72 1msn s VAL 11 Ca 0.31 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.39 1msn s VAL 11 Cb -0.16 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.13 1msn s VAL 11 CO 0.12 0.00 0.13 -0.89 -0.31 0.00 0.00 175.10 174.16 1msn s THR 12 N -3.14 5.43 0.34 5.32 2.01 -1.26 -0.63 115.64 123.72 1msn s THR 12 Ca 0.28 0.20 0.08 0.00 0.31 0.00 0.00 61.69 62.55 1msn s THR 12 Cb 0.06 -3.45 -0.07 0.00 0.01 0.00 0.00 72.50 69.05 1msn s THR 12 CO 0.14 0.48 -0.04 0.27 -0.69 0.00 0.00 174.62 174.78 1msn s ILE 13 N 0.02 1.91 -0.08 1.82 -4.36 0.14 -2.20 121.20 118.46 1msn s ILE 13 Ca 0.10 -2.11 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 1msn s ILE 13 Cb -0.11 -2.71 0.02 0.00 1.25 0.00 0.00 42.46 40.91 1msn s ILE 13 CO -0.01 -0.15 -0.06 -0.75 0.24 0.00 0.00 174.94 174.21 1msn s LYS 14 N -3.70 1.22 -0.05 0.37 2.20 0.52 -1.15 119.74 119.15 1msn s LYS 14 Ca 0.33 -0.17 0.01 0.00 -0.36 0.00 0.00 55.97 55.78 1msn s LYS 14 Cb 0.05 -1.26 0.02 0.00 -1.51 0.00 0.00 37.83 35.13 1msn s LYS 14 CO 0.16 -0.18 -0.05 0.42 -0.36 0.00 0.00 175.35 175.33 1msn s ILE 15 N 1.40 0.60 -1.77 5.43 1.01 -0.45 -1.27 121.20 126.17 1msn s ILE 15 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1msn s ILE 15 Cb -0.13 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.72 1msn s ILE 15 CO -0.04 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.76 1msn n GLY 16 N 4.06 -0.21 2.92 6.18 0.00 -1.26 -0.98 105.19 115.91 1msn n GLY 16 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1msn n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1msn n GLY 17 N -0.92 0.84 3.65 -0.02 0.00 -1.26 -5.01 105.19 102.47 1msn n GLY 17 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1msn n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1msn s GLN 18 N -0.10 3.36 0.24 1.61 -1.52 -0.15 -5.09 119.66 118.02 1msn s GLN 18 Ca 0.00 -0.40 -0.29 0.00 -1.95 0.00 0.00 55.36 52.73 1msn s GLN 18 Cb 0.00 -2.93 -0.09 0.00 -0.22 0.00 0.00 33.01 29.77 1msn s GLN 18 CO 0.00 0.53 0.91 -0.51 -0.25 0.00 0.00 175.29 175.97 1msn s LEU 19 N -0.38 4.59 0.10 2.90 1.02 -1.26 -1.34 118.68 124.32 1msn s LEU 19 Ca 0.08 1.88 -0.12 0.00 0.02 0.00 0.00 54.13 55.99 1msn s LEU 19 Cb -0.12 -3.62 0.01 0.00 0.02 0.00 0.00 46.19 42.48 1msn s LEU 19 CO 0.02 0.13 0.28 -0.54 0.02 0.00 0.00 176.35 176.26 1msn s LYS 20 N -1.31 0.93 -0.12 1.70 1.02 -0.30 -4.98 119.74 116.68 1msn s LYS 20 Ca 0.42 -0.84 -0.10 0.00 0.02 0.00 0.00 55.97 55.47 1msn s LYS 20 Cb -0.24 0.39 -0.05 0.00 -0.52 0.00 0.00 37.83 37.41 1msn s LYS 20 CO 0.30 -0.32 0.21 -2.00 -0.92 0.00 0.00 175.35 172.61 1msn s GLU 21 N -3.76 3.74 0.14 1.68 2.12 -1.26 0.29 118.70 121.65 1msn s GLU 21 Ca 0.04 -0.02 -0.02 0.00 0.36 0.00 0.00 54.97 55.33 1msn s GLU 21 Cb 0.03 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 1msn s GLU 21 CO -0.11 0.62 0.10 0.00 -0.54 0.00 0.00 175.26 175.33 1msn s ALA 22 N -0.64 0.74 -0.15 6.30 0.00 0.20 -4.40 121.76 123.81 1msn s ALA 22 Ca 0.16 -1.39 -0.02 0.00 0.00 0.00 0.00 51.96 50.71 1msn s ALA 22 Cb -0.13 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 1msn s ALA 22 CO 0.05 -0.52 -0.09 -1.17 0.00 0.00 0.00 175.76 174.03 1msn s LEU 23 N -3.04 2.87 -0.47 0.00 2.96 0.65 -0.27 118.68 121.38 1msn s LEU 23 Ca 0.24 -0.29 -0.29 0.00 -0.22 0.00 0.00 54.13 53.57 1msn s LEU 23 Cb 0.07 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 45.10 1msn s LEU 23 CO 0.02 0.13 1.31 -0.76 -1.32 0.00 0.00 176.35 175.73 1msn s LEU 24 N 0.55 3.56 -0.42 -0.68 1.43 -0.66 -0.55 118.68 121.91 1msn s LEU 24 Ca -0.06 0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.59 1msn s LEU 24 Cb -0.15 -3.43 0.11 0.00 0.03 0.00 0.00 46.19 42.75 1msn s LEU 24 CO 0.03 -1.43 0.18 -0.62 0.23 0.00 0.00 176.35 174.75 1msn s ASP 25 N 3.47 5.01 0.18 2.29 -1.08 -0.45 -4.80 116.67 121.29 1msn s ASP 25 Ca 0.54 -2.25 0.21 0.00 -0.52 0.00 0.00 52.55 50.53 1msn s ASP 25 Cb -0.10 -1.75 0.88 0.00 -1.46 0.00 0.00 42.92 40.48 1msn s ASP 25 CO 0.31 -0.44 1.64 0.35 0.52 0.00 0.00 175.17 177.54 1msn n THR 26 N 4.23 0.87 1.37 1.71 -2.24 -1.26 -2.53 114.28 116.43 1msn n THR 26 Ca 0.02 0.23 0.13 0.00 -2.27 0.00 0.00 64.05 62.15 1msn n THR 26 Cb 0.40 -1.11 0.45 0.00 -2.10 0.00 0.00 70.33 67.98 1msn n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1msn n GLY 27 N 0.01 0.17 3.37 3.38 0.00 -1.26 -4.83 105.19 106.03 1msn n GLY 27 Ca 0.03 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 1msn n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1msn s ALA 28 N -1.92 2.69 0.23 4.61 0.00 -1.05 -5.00 121.76 121.31 1msn s ALA 28 Ca 0.36 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1msn s ALA 28 Cb 0.20 -1.33 0.23 0.00 0.00 0.00 0.00 23.12 22.22 1msn s ALA 28 CO 0.31 0.11 1.57 -0.44 0.00 0.00 0.00 175.76 177.32 1msn h ASP 29 N 6.97 0.45 -1.44 0.00 3.32 -1.88 -0.61 116.42 123.23 1msn h ASP 29 Ca -0.30 -0.22 -0.56 0.00 0.02 0.00 0.00 57.03 55.96 1msn h ASP 29 Cb 1.20 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 40.55 1msn h ASP 29 CO 0.58 0.88 -0.47 -1.81 -1.72 0.00 0.00 179.24 176.70 1msn s ASP 30 N -6.89 4.50 -0.27 6.45 1.01 -1.26 -2.18 116.67 118.02 1msn s ASP 30 Ca -0.06 -1.09 -0.09 0.00 0.71 0.00 0.00 52.55 52.03 1msn s ASP 30 Cb 0.12 -0.36 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 1msn s ASP 30 CO 0.81 -0.62 0.13 -0.89 0.21 0.00 0.00 175.17 174.81 1msn s THR 31 N -2.61 4.78 -0.14 -1.27 2.01 -1.26 -2.89 115.64 114.26 1msn s THR 31 Ca 0.40 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.36 1msn s THR 31 Cb 0.03 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 1msn s THR 31 CO 0.22 0.28 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.59 1msn s VAL 32 N 1.68 2.75 0.16 3.82 1.01 -0.43 -0.77 120.40 128.61 1msn s VAL 32 Ca 0.07 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.36 1msn s VAL 32 Cb -0.16 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1msn s VAL 32 CO 0.07 0.52 -0.15 0.27 0.00 0.00 0.00 175.10 175.82 1msn s ILE 33 N 0.57 1.53 0.91 2.22 -4.36 0.10 0.08 121.20 122.25 1msn s ILE 33 Ca -0.09 -1.93 -0.11 0.00 -0.26 0.00 0.00 60.65 58.26 1msn s ILE 33 Cb -0.16 -1.77 0.14 0.00 1.25 0.00 0.00 42.46 41.92 1msn s ILE 33 CO 0.04 -0.47 1.11 -1.83 0.24 0.00 0.00 174.94 174.02 1msn s GLU 34 N -3.06 1.09 0.09 0.37 -1.05 -1.26 -1.85 118.70 113.02 1msn s GLU 34 Ca 0.15 1.23 -0.36 0.00 -0.15 0.00 0.00 54.97 55.84 1msn s GLU 34 Cb -0.03 -1.76 -0.15 0.00 -0.44 0.00 0.00 34.13 31.75 1msn s GLU 34 CO 0.05 -2.48 1.50 -1.91 0.95 0.00 0.00 175.26 173.37 1msn n GLU 35 N -4.10 1.63 -3.67 -4.83 4.07 -1.26 -4.70 120.64 107.78 1msn n GLU 35 Ca 0.09 0.59 -0.06 0.00 -0.06 0.00 0.00 57.16 57.72 1msn n GLU 35 Cb 0.53 -2.30 -0.02 0.00 -0.06 0.00 0.00 31.44 29.59 1msn n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1msn s MET 36 N 1.05 1.16 -0.09 5.31 0.23 -1.26 -5.10 119.30 120.60 1msn s MET 36 Ca 0.83 -0.58 -0.20 0.00 -1.03 0.00 0.00 55.69 54.71 1msn s MET 36 Cb -0.83 0.43 -0.04 0.00 -1.53 0.00 0.00 34.83 32.86 1msn s MET 36 CO 0.44 -0.53 0.54 0.45 -2.03 0.00 0.00 175.02 173.90 1msn s SER 37 N -2.80 6.79 0.04 -1.18 0.15 -1.26 -5.07 113.70 110.37 1msn s SER 37 Ca 0.09 0.94 0.03 0.00 0.70 0.00 0.00 55.95 57.72 1msn s SER 37 Cb -0.02 -2.32 -0.02 0.00 -1.71 0.00 0.00 66.02 61.95 1msn s SER 37 CO -0.01 -0.02 -0.09 -0.76 1.20 0.00 0.00 173.24 173.56 1msn s LEU 38 N 0.57 2.21 0.79 3.45 1.43 -1.26 -4.97 118.68 120.90 1msn s LEU 38 Ca 0.29 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 1msn s LEU 38 Cb -0.16 -0.29 0.07 0.00 0.03 0.00 0.00 46.19 45.84 1msn s LEU 38 CO 0.13 -0.11 1.12 -2.84 0.23 0.00 0.00 176.35 174.88 1msn s PRO 39 N -1.30 2.00 0.58 1.29 0.02 -1.26 -4.96 135.00 131.38 1msn s PRO 39 Ca -0.05 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.32 1msn s PRO 39 Cb -0.08 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1msn s PRO 39 CO 0.01 -1.86 0.00 0.41 -0.33 0.00 0.00 177.00 175.22 1msn n GLY 40 N -0.60 -1.89 3.88 0.52 0.00 -1.26 -4.91 105.19 100.93 1msn n GLY 40 Ca 0.10 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 1msn n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1msn s ARG 41 N -1.18 3.64 0.20 1.61 0.52 -1.26 -5.10 118.95 117.38 1msn s ARG 41 Ca 0.00 0.53 0.08 0.00 -0.52 0.00 0.00 55.73 55.82 1msn s ARG 41 Cb 0.00 -2.24 -0.05 0.00 0.52 0.00 0.00 34.95 33.18 1msn s ARG 41 CO 0.00 -0.33 -0.15 1.67 0.02 0.00 0.00 175.30 176.51 1msn s TRP 42 N -2.84 1.75 0.24 -0.53 1.48 -1.26 -4.69 118.94 113.08 1msn s TRP 42 Ca 0.52 -0.54 0.08 0.00 -1.06 0.00 0.00 56.10 55.10 1msn s TRP 42 Cb -0.11 -0.82 -0.05 0.00 -1.16 0.00 0.00 33.47 31.33 1msn s TRP 42 CO 0.45 0.36 -0.12 -1.59 -4.06 0.00 0.00 176.95 171.99 1msn s LYS 43 N -3.44 1.46 0.40 3.25 -2.85 -0.46 -4.90 119.74 113.18 1msn s LYS 43 Ca 0.21 -1.68 -0.24 0.00 -1.00 0.00 0.00 55.97 53.26 1msn s LYS 43 Cb -0.02 -1.23 -0.09 0.00 -2.06 0.00 0.00 37.83 34.43 1msn s LYS 43 CO 0.07 0.16 1.03 -1.25 0.10 0.00 0.00 175.35 175.46 1msn s PRO 44 N -3.65 4.20 -0.19 1.78 0.04 -1.26 -0.82 135.00 135.09 1msn s PRO 44 Ca 0.26 1.45 -0.24 0.00 0.04 0.00 0.00 61.00 62.50 1msn s PRO 44 Cb 0.00 -2.51 0.06 0.00 0.04 0.00 0.00 34.50 32.09 1msn s PRO 44 CO 0.10 -0.10 0.64 0.21 0.04 0.00 0.00 177.00 177.89 1msn s LYS 45 N -2.55 0.83 -0.08 4.56 2.20 -1.15 -4.86 119.74 118.69 1msn s LYS 45 Ca 0.58 0.69 0.03 0.00 -0.36 0.00 0.00 55.97 56.91 1msn s LYS 45 Cb -0.20 0.40 -0.02 0.00 -1.51 0.00 0.00 37.83 36.50 1msn s LYS 45 CO 0.25 -0.15 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.27 1msn s MET 46 N -0.12 2.85 0.08 4.03 -1.94 -1.26 -1.04 119.30 121.90 1msn s MET 46 Ca -0.03 -0.77 0.07 0.00 -1.71 0.00 0.00 55.69 53.25 1msn s MET 46 Cb -0.03 -2.39 -0.03 0.00 2.01 0.00 0.00 34.83 34.39 1msn s MET 46 CO 0.03 0.38 -0.20 0.96 -0.01 0.00 0.00 175.02 176.19 1msn s ILE 47 N -0.12 1.60 -0.26 2.53 -4.36 -0.90 -4.96 121.20 114.73 1msn s ILE 47 Ca -0.03 -1.38 -0.09 0.00 -0.26 0.00 0.00 60.65 58.89 1msn s ILE 47 Cb -0.14 -1.44 -0.04 0.00 1.25 0.00 0.00 42.46 42.09 1msn s ILE 47 CO 0.04 0.00 0.11 -0.83 0.24 0.00 0.00 174.94 174.50 1msn s GLY 48 N -1.63 1.83 0.00 6.27 0.00 -1.26 -2.00 107.32 110.53 1msn s GLY 48 Ca 0.06 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1msn s GLY 48 CO 0.03 0.54 0.00 0.61 0.00 0.00 0.00 173.10 174.28 1msn n GLY 49 N 4.88 3.85 0.22 0.20 0.00 0.52 -4.97 105.19 109.89 1msn n GLY 49 Ca -0.15 -2.12 0.02 0.00 0.00 0.00 0.00 46.02 43.76 1msn n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1msn h ILE 50 N 0.35 1.22 -0.01 -0.61 2.10 -2.02 -3.02 117.51 115.51 1msn h ILE 50 Ca 0.00 -1.00 0.00 0.00 1.08 0.00 0.00 64.86 64.94 1msn h ILE 50 Cb 0.00 1.40 0.00 0.00 -1.09 0.00 0.00 36.82 37.13 1msn h ILE 50 CO 0.00 0.30 -0.47 0.61 -1.08 0.00 0.00 178.15 177.51 1msn n GLY 51 N -0.68 -0.33 0.00 8.18 0.00 -1.26 -5.07 105.19 106.03 1msn n GLY 51 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1msn n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1msn n GLY 52 N 1.41 0.93 3.90 -0.02 0.00 -1.14 -5.11 105.19 105.16 1msn n GLY 52 Ca 0.09 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 1msn n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1msn s PHE 53 N -2.28 3.47 0.06 1.61 0.40 -1.26 -0.35 117.98 119.62 1msn s PHE 53 Ca 0.00 0.55 -0.04 0.00 -0.60 0.00 0.00 56.93 56.85 1msn s PHE 53 Cb 0.00 -2.01 -0.02 0.00 0.51 0.00 0.00 43.02 41.50 1msn s PHE 53 CO 0.00 0.38 0.05 0.96 0.70 0.00 0.00 175.22 177.31 1msn s ILE 54 N -1.75 0.18 -0.05 0.64 -4.36 -0.85 -4.98 121.20 110.03 1msn s ILE 54 Ca 0.41 -1.49 -0.11 0.00 -0.26 0.00 0.00 60.65 59.21 1msn s ILE 54 Cb -0.12 -1.31 -0.05 0.00 1.25 0.00 0.00 42.46 42.23 1msn s ILE 54 CO 0.26 -0.82 0.28 -0.54 0.24 0.00 0.00 174.94 174.35 1msn s LYS 55 N -3.58 3.68 0.15 0.37 -0.14 -1.26 -2.11 119.74 116.85 1msn s LYS 55 Ca 0.03 0.14 0.00 0.00 -1.36 0.00 0.00 55.97 54.79 1msn s LYS 55 Cb 0.05 -3.20 -0.04 0.00 -1.68 0.00 0.00 37.83 32.96 1msn s LYS 55 CO -0.09 0.73 0.03 0.14 -0.76 0.00 0.00 175.35 175.40 1msn s VAL 56 N -1.07 0.40 -0.24 3.17 -7.23 -0.21 -4.70 120.40 110.53 1msn s VAL 56 Ca 0.20 -1.95 -0.10 0.00 -1.81 0.00 0.00 61.98 58.33 1msn s VAL 56 Cb -0.14 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 1msn s VAL 56 CO 0.09 -0.47 0.14 -0.13 -0.31 0.00 0.00 175.10 174.43 1msn s ARG 57 N -3.98 3.98 -0.26 4.82 0.52 0.20 -2.93 118.95 121.31 1msn s ARG 57 Ca 0.24 -0.32 -0.12 0.00 -0.52 0.00 0.00 55.73 55.01 1msn s ARG 57 Cb 0.07 -3.49 -0.05 0.00 0.52 0.00 0.00 34.95 32.00 1msn s ARG 57 CO 0.03 0.01 0.25 -1.14 0.02 0.00 0.00 175.30 174.47 1msn s GLN 58 N 1.18 4.01 -0.19 3.54 0.74 -0.00 -0.16 119.66 128.77 1msn s GLN 58 Ca 0.07 -0.17 -0.01 0.00 0.05 0.00 0.00 55.36 55.30 1msn s GLN 58 Cb -0.14 -3.63 0.00 0.00 1.10 0.00 0.00 33.01 30.35 1msn s GLN 58 CO 0.05 -0.15 -0.12 0.71 -0.55 0.00 0.00 175.29 175.23 1msn s TYR 59 N 1.68 2.86 0.41 1.67 1.51 -0.28 -1.36 117.35 123.83 1msn s TYR 59 Ca 0.10 -1.23 -0.01 0.00 -1.01 0.00 0.00 57.07 54.92 1msn s TYR 59 Cb -0.15 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 1msn s TYR 59 CO 0.09 -0.63 0.65 -0.51 -1.11 0.00 0.00 175.55 174.04 1msn s ASP 60 N 1.28 6.21 -1.39 2.29 1.01 -1.26 -1.06 116.67 123.74 1msn s ASP 60 Ca 0.03 0.59 -0.01 0.00 0.71 0.00 0.00 52.55 53.88 1msn s ASP 60 Cb -0.14 -2.03 0.00 0.00 1.01 0.00 0.00 42.92 41.76 1msn s ASP 60 CO -0.06 -0.45 0.49 0.00 0.21 0.00 0.00 175.17 175.35 1msn n GLN 61 N -1.99 -3.67 -3.59 8.23 6.02 -1.13 -4.88 117.38 116.36 1msn n GLN 61 Ca -0.02 0.45 -0.36 0.00 -0.01 0.00 0.00 57.00 57.06 1msn n GLN 61 Cb 0.56 -4.69 -0.07 0.00 1.02 0.00 0.00 30.24 27.06 1msn n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1msn s ILE 62 N -3.88 5.31 -0.16 5.09 -1.09 0.30 -4.73 121.20 122.05 1msn s ILE 62 Ca 0.02 0.50 -0.29 0.00 -2.23 0.00 0.00 60.65 58.65 1msn s ILE 62 Cb -0.01 -3.60 -0.00 0.00 -1.58 0.00 0.00 42.46 37.27 1msn s ILE 62 CO 0.87 0.44 1.06 -0.63 -1.23 0.00 0.00 174.94 175.45 1msn s ILE 63 N 0.14 4.65 -0.06 2.92 1.01 -1.26 -1.97 121.20 126.62 1msn s ILE 63 Ca 0.16 1.96 -0.03 0.00 0.00 0.00 0.00 60.65 62.74 1msn s ILE 63 Cb -0.13 -4.26 0.04 0.00 0.01 0.00 0.00 42.46 38.12 1msn s ILE 63 CO 0.04 -0.08 0.13 -0.51 0.00 0.00 0.00 174.94 174.52 1msn s ILE 64 N 2.64 -0.09 -0.19 2.92 2.07 0.08 -4.40 121.20 124.24 1msn s ILE 64 Ca 0.48 0.22 -0.11 0.00 -1.41 0.00 0.00 60.65 59.83 1msn s ILE 64 Cb -0.18 -0.23 -0.05 0.00 0.13 0.00 0.00 42.46 42.13 1msn s ILE 64 CO 0.13 0.09 0.17 -0.70 -1.91 0.00 0.00 174.94 172.73 1msn s GLU 65 N 1.39 4.19 -0.24 3.50 2.12 -0.39 -0.56 118.70 128.70 1msn s GLU 65 Ca -0.07 -0.14 0.02 0.00 0.36 0.00 0.00 54.97 55.15 1msn s GLU 65 Cb -0.12 -3.42 0.05 0.00 0.26 0.00 0.00 34.13 30.91 1msn s GLU 65 CO -0.06 0.30 -0.11 0.42 -0.54 0.00 0.00 175.26 175.27 1msn s ILE 66 N 0.35 2.01 -1.53 -3.70 1.01 0.14 -0.36 121.20 119.12 1msn s ILE 66 Ca 0.10 -1.44 -0.07 0.00 0.00 0.00 0.00 60.65 59.24 1msn s ILE 66 Cb -0.12 -2.10 0.06 0.00 0.01 0.00 0.00 42.46 40.31 1msn s ILE 66 CO -0.00 0.04 0.55 0.00 0.00 0.00 0.00 174.94 175.53 1msn n GLY 68 N -1.79 3.16 3.67 0.00 0.00 -1.26 -5.03 105.19 103.93 1msn n GLY 68 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1msn n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1msn s HIS 69 N -2.17 3.39 0.12 1.61 4.02 -0.01 -5.05 115.29 117.20 1msn s HIS 69 Ca 0.00 0.83 -0.24 0.00 1.02 0.00 0.00 55.06 56.67 1msn s HIS 69 Cb 0.00 -2.69 -0.07 0.00 -1.02 0.00 0.00 32.58 28.80 1msn s HIS 69 CO 0.00 -0.09 0.73 0.15 1.02 0.00 0.00 174.74 176.55 1msn s LYS 70 N 1.59 4.48 0.09 1.40 1.02 -1.26 0.26 119.74 127.33 1msn s LYS 70 Ca 0.25 1.06 0.02 0.00 0.02 0.00 0.00 55.97 57.32 1msn s LYS 70 Cb -0.16 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 1msn s LYS 70 CO 0.10 0.51 -0.07 0.00 -0.92 0.00 0.00 175.35 174.97 1msn s ALA 71 N -0.85 0.94 -0.21 5.17 0.00 0.27 -4.89 121.76 122.19 1msn s ALA 71 Ca 0.35 -1.25 -0.05 0.00 0.00 0.00 0.00 51.96 51.01 1msn s ALA 71 Cb -0.22 0.13 0.07 0.00 0.00 0.00 0.00 23.12 23.10 1msn s ALA 71 CO 0.24 -0.18 0.10 0.42 0.00 0.00 0.00 175.76 176.34 1msn s ILE 72 N -3.18 -0.09 0.00 0.00 1.01 -1.26 -0.74 121.20 116.95 1msn s ILE 72 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1msn s ILE 72 Cb 0.02 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.79 1msn s ILE 72 CO -0.03 -0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.09 1msn n GLY 73 N 5.27 2.40 3.72 6.18 0.00 -0.83 -4.76 105.19 117.17 1msn n GLY 73 Ca -0.07 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1msn n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1msn s THR 74 N -2.94 4.40 -0.03 2.61 2.01 -1.26 -0.54 115.64 119.89 1msn s THR 74 Ca 0.00 1.83 0.05 0.00 0.31 0.00 0.00 61.69 63.88 1msn s THR 74 Cb 0.00 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.33 1msn s THR 74 CO 0.00 0.20 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.27 1msn s VAL 75 N 0.59 1.36 -0.16 3.82 1.01 -0.23 -4.49 120.40 122.31 1msn s VAL 75 Ca 0.52 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 1msn s VAL 75 Cb -0.25 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1msn s VAL 75 CO 0.30 0.39 -0.05 -0.76 0.00 0.00 0.00 175.10 174.98 1msn s LEU 76 N -0.16 3.14 -0.20 3.92 1.43 0.05 -1.12 118.68 125.73 1msn s LEU 76 Ca 0.01 -0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 52.86 1msn s LEU 76 Cb -0.09 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1msn s LEU 76 CO 0.01 0.15 0.04 -0.69 0.23 0.00 0.00 176.35 176.09 1msn s VAL 77 N 0.46 4.42 0.00 -1.59 1.01 0.78 0.02 120.40 125.49 1msn s VAL 77 Ca -0.05 -0.16 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 1msn s VAL 77 Cb -0.15 -3.01 0.06 0.00 0.00 0.00 0.00 36.38 33.29 1msn s VAL 77 CO 0.03 0.42 0.85 0.61 0.00 0.00 0.00 175.10 177.01 1msn n GLY 78 N 4.03 0.40 3.56 4.51 0.00 -0.77 -0.63 105.19 116.29 1msn n GLY 78 Ca -0.17 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 1msn n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1msn s PRO 79 N -2.01 2.81 0.03 1.61 0.04 -1.26 -4.28 135.00 131.93 1msn s PRO 79 Ca 0.20 -0.68 0.08 0.00 0.04 0.00 0.00 61.00 60.64 1msn s PRO 79 Cb -0.01 -5.17 -0.03 0.00 0.04 0.00 0.00 34.50 29.33 1msn s PRO 79 CO 0.00 -3.20 -0.21 -0.08 0.04 0.00 0.00 177.00 173.55 1msn s THR 80 N 8.98 2.53 0.30 1.26 -1.32 -1.26 -5.03 115.64 121.10 1msn s THR 80 Ca 0.64 -1.21 -0.01 0.00 -1.21 0.00 0.00 61.69 59.91 1msn s THR 80 Cb -0.04 -2.02 0.22 0.00 -1.51 0.00 0.00 72.50 69.16 1msn s THR 80 CO 0.00 0.39 1.93 -0.65 -2.21 0.00 0.00 174.62 174.08 1msn h PRO 81 N 4.79 0.93 -4.29 7.08 0.11 -1.98 -3.45 132.00 135.19 1msn h PRO 81 Ca -0.47 -0.10 -0.13 0.00 0.11 0.00 0.00 66.00 65.41 1msn h PRO 81 Cb 1.15 -0.19 -0.15 0.00 0.11 0.00 0.00 31.00 31.92 1msn h PRO 81 CO 0.46 0.69 -0.68 -0.06 -0.21 0.00 0.00 178.00 178.20 1msn s PHE 82 N -5.62 0.57 -0.28 0.65 0.40 -1.26 -5.10 117.98 107.35 1msn s PHE 82 Ca -0.11 -1.04 -0.29 0.00 -0.60 0.00 0.00 56.93 54.89 1msn s PHE 82 Cb 0.17 -0.40 0.01 0.00 0.51 0.00 0.00 43.02 43.30 1msn s PHE 82 CO 0.79 -0.35 1.16 -0.80 0.70 0.00 0.00 175.22 176.72 1msn s ASN 83 N -2.92 6.89 -0.18 1.36 0.01 -1.26 -4.76 114.94 114.08 1msn s ASN 83 Ca 0.07 1.24 -0.04 0.00 -0.71 0.00 0.00 52.86 53.42 1msn s ASN 83 Cb 0.07 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.17 1msn s ASN 83 CO -0.09 -0.88 -0.02 -0.69 -1.51 0.00 0.00 177.10 173.90 1msn s VAL 84 N 3.75 3.91 -0.49 1.60 1.01 0.11 -0.25 120.40 130.04 1msn s VAL 84 Ca 0.50 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 61.95 1msn s VAL 84 Cb -0.15 -2.74 0.06 0.00 0.00 0.00 0.00 36.38 33.54 1msn s VAL 84 CO 0.16 0.46 0.56 -0.63 0.00 0.00 0.00 175.10 175.65 1msn s ILE 85 N 0.69 4.96 0.70 2.22 -1.09 0.29 -1.32 121.20 127.66 1msn s ILE 85 Ca -0.01 -0.58 -0.05 0.00 -2.23 0.00 0.00 60.65 57.78 1msn s ILE 85 Cb -0.14 -4.24 0.15 0.00 -1.58 0.00 0.00 42.46 36.64 1msn s ILE 85 CO 0.02 -0.72 0.95 0.61 -1.23 0.00 0.00 174.94 174.57 1msn n GLY 86 N 5.17 -0.00 0.36 6.18 0.00 -1.14 -1.35 105.19 114.40 1msn n GLY 86 Ca -0.08 -1.92 0.11 0.00 0.00 0.00 0.00 46.02 44.13 1msn n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1msn h ARG 87 N 0.00 0.49 -0.64 1.61 3.08 -1.09 -0.46 114.38 117.37 1msn h ARG 87 Ca -0.31 -0.03 0.13 0.00 0.07 0.00 0.00 59.98 59.84 1msn h ARG 87 Cb 1.04 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.95 1msn h ARG 87 CO 0.29 0.32 0.43 -2.95 -1.07 0.00 0.00 179.97 177.00 1msn h ASN 88 N 0.50 0.28 0.00 7.04 -1.07 -1.71 -1.23 115.58 119.39 1msn h ASN 88 Ca 0.30 0.01 -0.28 0.00 0.07 0.00 0.00 56.30 56.40 1msn h ASN 88 Cb 0.51 -0.04 -0.05 0.00 -2.07 0.00 0.00 38.32 36.66 1msn h ASN 88 CO -0.09 0.15 -2.19 0.18 0.07 0.00 0.00 177.43 175.55 1msn n LEU 89 N -4.45 0.00 -0.14 6.14 4.77 -0.72 -4.01 117.00 118.58 1msn n LEU 89 Ca 0.12 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.11 1msn n LEU 89 Cb 0.49 0.38 0.30 0.00 -2.33 0.00 0.00 43.42 42.27 1msn n LEU 89 CO 0.34 0.38 1.20 -0.07 -1.33 0.00 0.00 177.39 177.92 1msn h LEU 90 N 0.00 0.73 -0.69 2.23 3.38 -0.75 -1.02 115.31 119.20 1msn h LEU 90 Ca -0.42 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 1msn h LEU 90 Cb 1.94 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 1msn h LEU 90 CO 0.02 0.54 -0.09 0.71 0.09 0.00 0.00 178.44 179.72 1msn h THR 91 N 0.86 1.26 -0.10 0.22 1.35 -1.42 -0.01 112.91 115.07 1msn h THR 91 Ca 0.23 -1.20 -0.02 0.00 -0.55 0.00 0.00 66.41 64.87 1msn h THR 91 Cb -0.08 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 67.29 1msn h THR 91 CO -0.05 0.42 -0.03 1.56 -0.25 0.00 0.00 175.52 177.17 1msn h GLN 92 N 0.84 0.14 -0.59 4.72 4.20 -1.34 -1.21 115.11 121.87 1msn h GLN 92 Ca 0.14 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1msn h GLN 92 Cb 0.61 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1msn h GLN 92 CO 0.04 0.19 0.00 0.44 -0.67 0.00 0.00 178.83 178.83 1msn n ILE 93 N -4.42 0.83 -2.60 2.54 -5.35 -0.94 -4.94 119.36 104.49 1msn n ILE 93 Ca -0.01 -0.80 -0.15 0.00 -0.27 0.00 0.00 62.75 61.52 1msn n ILE 93 Cb 0.16 0.37 0.01 0.00 -1.74 0.00 0.00 39.64 38.44 1msn n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1msn n GLY 94 N 1.40 -0.15 3.74 3.28 0.00 -0.46 -4.99 105.19 108.00 1msn n GLY 94 Ca 0.20 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1msn n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1msn s THR 96 N -0.03 0.79 -0.09 0.00 -4.23 -1.26 -4.63 115.64 106.19 1msn s THR 96 Ca 0.41 -1.97 -0.10 0.00 -1.18 0.00 0.00 61.69 58.84 1msn s THR 96 Cb -0.21 -1.83 -0.05 0.00 1.34 0.00 0.00 72.50 71.75 1msn s THR 96 CO 0.25 -0.74 0.24 -0.76 -0.54 0.00 0.00 174.62 173.06 1msn s LEU 97 N -3.10 4.39 0.01 4.79 1.43 -1.26 -5.10 118.68 119.84 1msn s LEU 97 Ca 0.16 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 1msn s LEU 97 Cb 0.05 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 1msn s LEU 97 CO -0.01 0.34 -0.02 0.20 0.23 0.00 0.00 176.35 177.09 1msn s ASN 98 N -0.81 0.14 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.13 1msn s ASN 98 Ca 0.18 -0.20 0.00 0.00 -1.57 0.00 0.00 52.86 51.27 1msn s ASN 98 Cb -0.14 0.03 0.00 0.00 -0.02 0.00 0.00 41.25 41.13 1msn s ASN 98 CO 0.07 -0.11 0.00 2.22 -2.57 0.00 0.00 177.10 176.71