#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mui s GLN 2 N 0.00 4.39 -0.21 0.54 0.74 -1.26 -5.04 119.66 118.82 1mui s GLN 2 Ca 0.00 1.01 -0.02 0.00 0.05 0.00 0.00 55.36 56.41 1mui s GLN 2 Cb 0.00 -3.51 0.00 0.00 1.10 0.00 0.00 33.01 30.61 1mui s GLN 2 CO 0.00 -0.13 -0.10 0.42 -0.55 0.00 0.00 175.29 174.93 1mui s ILE 3 N 1.43 2.85 0.85 -2.34 1.01 -1.26 -5.12 121.20 118.63 1mui s ILE 3 Ca 0.40 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 60.23 1mui s ILE 3 Cb -0.18 -2.28 0.13 0.00 0.01 0.00 0.00 42.46 40.14 1mui s ILE 3 CO 0.17 0.45 1.20 0.42 0.00 0.00 0.00 174.94 177.18 1mui s THR 4 N 1.40 2.05 -0.19 2.92 -4.23 -1.26 -5.02 115.64 111.30 1mui s THR 4 Ca 0.05 -0.07 0.15 0.00 -1.18 0.00 0.00 61.69 60.64 1mui s THR 4 Cb -0.14 -2.98 0.42 0.00 1.34 0.00 0.00 72.50 71.15 1mui s THR 4 CO -0.07 0.00 1.30 0.18 -0.54 0.00 0.00 174.62 175.49 1mui n LEU 5 N -3.41 3.19 0.26 4.79 4.77 -1.26 -4.64 117.00 120.70 1mui n LEU 5 Ca 0.11 -3.36 0.17 0.00 -0.03 0.00 0.00 56.01 52.91 1mui n LEU 5 Cb 0.60 -0.52 0.81 0.00 -2.33 0.00 0.00 43.42 41.98 1mui n LEU 5 CO 0.51 0.94 1.01 -0.50 -1.33 0.00 0.00 177.39 178.02 1mui h TRP 6 N 0.86 0.00 -4.19 -1.77 4.06 -2.06 -3.43 115.95 109.42 1mui h TRP 6 Ca 0.05 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.87 1mui h TRP 6 Cb 1.26 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 29.26 1mui h TRP 6 CO 0.48 0.00 -0.68 -0.65 -3.56 0.00 0.00 178.44 174.03 1mui s GLN 7 N -3.74 0.57 0.03 0.49 -0.21 -1.26 -5.11 119.66 110.42 1mui s GLN 7 Ca -0.01 -1.12 -0.33 0.00 0.02 0.00 0.00 55.36 53.92 1mui s GLN 7 Cb 0.10 0.18 -0.12 0.00 1.00 0.00 0.00 33.01 34.17 1mui s GLN 7 CO 0.44 -0.10 1.79 0.54 -2.12 0.00 0.00 175.29 175.84 1mui n ARG 8 N 0.35 2.33 -1.96 2.91 1.74 -1.26 -4.82 116.66 115.95 1mui n ARG 8 Ca -0.16 0.85 -0.25 0.00 -0.77 0.00 0.00 57.85 57.52 1mui n ARG 8 Cb 0.60 -2.69 -0.07 0.00 -1.02 0.00 0.00 32.46 29.28 1mui n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1mui s PRO 9 N 2.96 2.22 0.03 5.56 0.04 -1.26 -4.93 135.00 139.62 1mui s PRO 9 Ca 0.87 -0.86 -0.21 0.00 0.04 0.00 0.00 61.00 60.83 1mui s PRO 9 Cb -0.63 -5.16 -0.06 0.00 0.04 0.00 0.00 34.50 28.70 1mui s PRO 9 CO 0.44 -4.21 0.63 -0.51 0.04 0.00 0.00 177.00 173.39 1mui s LEU 10 N 12.16 4.45 0.09 -3.56 1.02 -1.26 -1.87 118.68 129.71 1mui s LEU 10 Ca 0.72 1.25 0.07 0.00 0.02 0.00 0.00 54.13 56.19 1mui s LEU 10 Cb -0.03 -2.99 -0.03 0.00 0.02 0.00 0.00 46.19 43.16 1mui s LEU 10 CO 0.12 0.12 -0.19 0.54 0.02 0.00 0.00 176.35 176.96 1mui s VAL 11 N -0.36 1.52 -0.32 -1.59 0.11 0.14 -4.93 120.40 114.96 1mui s VAL 11 Ca 0.32 -1.42 -0.21 0.00 -2.93 0.00 0.00 61.98 57.75 1mui s VAL 11 Cb -0.19 -1.39 -0.00 0.00 -1.53 0.00 0.00 36.38 33.26 1mui s VAL 11 CO 0.19 -0.07 0.65 0.28 -3.33 0.00 0.00 175.10 172.82 1mui s THR 12 N -1.14 4.90 0.27 5.04 -1.32 -1.26 0.39 115.64 122.53 1mui s THR 12 Ca 0.04 0.80 0.09 0.00 -1.21 0.00 0.00 61.69 61.41 1mui s THR 12 Cb -0.10 -4.04 -0.04 0.00 -1.51 0.00 0.00 72.50 66.81 1mui s THR 12 CO 0.03 -0.21 0.08 0.27 -2.21 0.00 0.00 174.62 172.58 1mui s ILE 13 N 2.69 3.71 -0.20 5.08 -4.36 0.12 -2.14 121.20 126.09 1mui s ILE 13 Ca 0.26 -1.72 -0.01 0.00 -0.26 0.00 0.00 60.65 58.91 1mui s ILE 13 Cb -0.15 -3.04 0.06 0.00 1.25 0.00 0.00 42.46 40.59 1mui s ILE 13 CO 0.13 -0.34 -0.00 -0.75 0.24 0.00 0.00 174.94 174.21 1mui s LYS 14 N -3.75 1.05 0.01 0.37 2.20 -1.06 -0.83 119.74 117.73 1mui s LYS 14 Ca 0.33 -0.62 0.03 0.00 -0.36 0.00 0.00 55.97 55.34 1mui s LYS 14 Cb -0.06 -2.26 -0.01 0.00 -1.51 0.00 0.00 37.83 33.98 1mui s LYS 14 CO 0.22 -0.61 -0.08 0.96 -0.36 0.00 0.00 175.35 175.48 1mui s ILE 15 N 1.68 0.65 -1.57 5.43 -5.25 -0.05 -2.12 121.20 119.97 1mui s ILE 15 Ca -0.03 -0.62 -0.14 0.00 -0.99 0.00 0.00 60.65 58.87 1mui s ILE 15 Cb -0.18 -0.60 0.10 0.00 2.95 0.00 0.00 42.46 44.74 1mui s ILE 15 CO -0.07 -0.01 0.89 0.61 -1.79 0.00 0.00 174.94 174.57 1mui n GLY 16 N 2.36 -0.46 2.52 6.27 0.00 -1.26 -0.00 105.19 114.61 1mui n GLY 16 Ca -0.16 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1mui n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mui n GLY 17 N -1.62 1.12 3.34 -0.02 0.00 -1.26 -4.98 105.19 101.77 1mui n GLY 17 Ca 0.02 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 1mui n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mui s GLN 18 N -2.71 1.38 -0.18 1.61 -0.21 1.00 -5.13 119.66 115.41 1mui s GLN 18 Ca 0.00 -1.22 -0.08 0.00 0.02 0.00 0.00 55.36 54.08 1mui s GLN 18 Cb 0.00 -1.73 -0.04 0.00 1.00 0.00 0.00 33.01 32.24 1mui s GLN 18 CO 0.00 0.42 0.10 -0.51 -2.12 0.00 0.00 175.29 173.18 1mui s LEU 19 N -1.80 4.04 0.27 2.90 1.02 -1.26 -0.87 118.68 122.98 1mui s LEU 19 Ca 0.11 0.19 -0.06 0.00 0.02 0.00 0.00 54.13 54.38 1mui s LEU 19 Cb -0.10 -2.03 -0.01 0.00 0.02 0.00 0.00 46.19 44.07 1mui s LEU 19 CO 0.04 0.21 0.38 -0.54 0.02 0.00 0.00 176.35 176.47 1mui s LYS 20 N 0.19 1.57 -0.14 1.70 1.02 -0.01 -5.01 119.74 119.06 1mui s LYS 20 Ca 0.07 -1.51 0.01 0.00 0.02 0.00 0.00 55.97 54.56 1mui s LYS 20 Cb -0.12 0.41 -0.00 0.00 -0.52 0.00 0.00 37.83 37.60 1mui s LYS 20 CO -0.00 -0.62 -0.18 -1.21 -0.92 0.00 0.00 175.35 172.41 1mui s GLU 21 N -3.76 3.17 0.10 1.68 2.02 -1.26 0.12 118.70 120.77 1mui s GLU 21 Ca 0.29 -0.78 0.08 0.00 0.02 0.00 0.00 54.97 54.58 1mui s GLU 21 Cb 0.01 -2.54 -0.03 0.00 0.10 0.00 0.00 34.13 31.67 1mui s GLU 21 CO 0.14 0.06 -0.21 0.00 0.02 0.00 0.00 175.26 175.26 1mui s ALA 22 N 0.68 1.85 -0.02 5.21 0.00 0.16 -4.47 121.76 125.16 1mui s ALA 22 Ca -0.09 -1.25 -0.20 0.00 0.00 0.00 0.00 51.96 50.43 1mui s ALA 22 Cb -0.16 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 1mui s ALA 22 CO 0.02 0.38 0.58 -1.17 0.00 0.00 0.00 175.76 175.56 1mui s LEU 23 N -1.86 4.39 -0.96 0.00 2.96 -0.35 0.25 118.68 123.11 1mui s LEU 23 Ca 0.07 1.11 -0.22 0.00 -0.22 0.00 0.00 54.13 54.87 1mui s LEU 23 Cb -0.10 -2.89 0.08 0.00 0.50 0.00 0.00 46.19 43.78 1mui s LEU 23 CO 0.04 0.08 1.31 -0.76 -1.32 0.00 0.00 176.35 175.71 1mui s LEU 24 N -0.04 4.01 -0.41 -0.68 1.02 -0.78 -1.20 118.68 120.60 1mui s LEU 24 Ca 0.31 -1.55 -0.17 0.00 0.02 0.00 0.00 54.13 52.74 1mui s LEU 24 Cb -0.18 -2.51 0.02 0.00 0.02 0.00 0.00 46.19 43.54 1mui s LEU 24 CO 0.16 -1.39 0.43 -0.62 0.02 0.00 0.00 176.35 174.95 1mui s ASP 25 N 4.41 6.20 0.00 2.29 2.15 -0.96 -4.88 116.67 125.88 1mui s ASP 25 Ca 0.40 -0.58 0.30 0.00 0.43 0.00 0.00 52.55 53.10 1mui s ASP 25 Cb -0.03 -2.22 1.46 0.00 -0.30 0.00 0.00 42.92 41.83 1mui s ASP 25 CO -0.07 -0.54 2.00 0.35 -0.17 0.00 0.00 175.17 176.73 1mui n THR 26 N 5.41 0.00 -1.12 1.71 -2.24 -1.26 -3.16 114.28 113.62 1mui n THR 26 Ca -0.07 -0.03 -0.01 0.00 -2.27 0.00 0.00 64.05 61.66 1mui n THR 26 Cb 0.48 -0.30 0.27 0.00 -2.10 0.00 0.00 70.33 68.67 1mui n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mui n GLY 27 N 1.23 4.07 2.92 3.38 0.00 -1.26 -4.89 105.19 110.64 1mui n GLY 27 Ca 0.16 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 1mui n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mui s ALA 28 N -3.00 1.58 0.22 4.61 0.00 -1.19 -5.00 121.76 118.97 1mui s ALA 28 Ca 0.49 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 51.55 1mui s ALA 28 Cb 0.40 -1.11 0.19 0.00 0.00 0.00 0.00 23.12 22.61 1mui s ALA 28 CO 0.09 -0.69 1.64 -0.44 0.00 0.00 0.00 175.76 176.37 1mui h ASP 29 N 8.10 0.81 -0.83 0.00 3.32 -1.90 0.63 116.42 126.55 1mui h ASP 29 Ca -0.27 -0.28 -0.63 0.00 0.02 0.00 0.00 57.03 55.87 1mui h ASP 29 Cb 1.11 -0.22 -0.10 0.00 0.22 0.00 0.00 39.33 40.34 1mui h ASP 29 CO 0.43 0.98 -0.47 -1.81 -1.72 0.00 0.00 179.24 176.65 1mui s ASP 30 N -6.73 4.27 -0.22 6.45 1.01 -1.26 -1.70 116.67 118.50 1mui s ASP 30 Ca -0.09 -1.41 -0.05 0.00 0.71 0.00 0.00 52.55 51.71 1mui s ASP 30 Cb 0.13 0.18 -0.02 0.00 1.01 0.00 0.00 42.92 44.22 1mui s ASP 30 CO 0.84 -0.80 -0.01 -0.89 0.21 0.00 0.00 175.17 174.51 1mui s THR 31 N -2.78 3.69 -0.12 -1.27 2.01 -1.26 -2.98 115.64 112.94 1mui s THR 31 Ca 0.23 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.85 1mui s THR 31 Cb 0.02 -2.68 0.02 0.00 0.01 0.00 0.00 72.50 69.87 1mui s THR 31 CO 0.13 0.41 -0.15 0.54 -0.69 0.00 0.00 174.62 174.87 1mui s VAL 32 N 1.31 1.48 0.18 3.82 0.11 -0.74 -0.91 120.40 125.64 1mui s VAL 32 Ca 0.04 -0.62 0.06 0.00 -2.93 0.00 0.00 61.98 58.53 1mui s VAL 32 Cb -0.14 -1.37 -0.04 0.00 -1.53 0.00 0.00 36.38 33.30 1mui s VAL 32 CO -0.00 0.44 0.08 -0.76 -3.33 0.00 0.00 175.10 171.53 1mui s LEU 33 N 1.12 3.59 1.29 2.54 1.43 0.33 -1.02 118.68 127.96 1mui s LEU 33 Ca -0.04 -0.26 -0.17 0.00 -1.03 0.00 0.00 54.13 52.63 1mui s LEU 33 Cb -0.14 -2.21 0.32 0.00 0.03 0.00 0.00 46.19 44.18 1mui s LEU 33 CO -0.04 0.07 0.86 -0.62 0.23 0.00 0.00 176.35 176.85 1mui n GLU 34 N -0.31 -3.37 -1.94 1.70 1.02 -1.26 -2.65 120.64 113.83 1mui n GLU 34 Ca -0.09 -0.98 -0.42 0.00 -0.02 0.00 0.00 57.16 55.65 1mui n GLU 34 Cb 0.55 -2.01 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 1mui n GLU 34 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1mui s GLU 35 N -4.51 4.19 0.29 3.49 2.56 -1.25 -4.51 118.70 118.97 1mui s GLU 35 Ca 0.66 2.31 -0.16 0.00 0.00 0.00 0.00 54.97 57.78 1mui s GLU 35 Cb -0.19 -3.72 0.02 0.00 2.00 0.00 0.00 34.13 32.23 1mui s GLU 35 CO 0.62 -0.77 0.63 0.00 -0.56 0.00 0.00 175.26 175.18 1mui s MET 36 N 3.06 1.78 -0.04 4.30 0.23 -1.26 -5.08 119.30 122.29 1mui s MET 36 Ca 0.74 -1.19 -0.08 0.00 -1.03 0.00 0.00 55.69 54.13 1mui s MET 36 Cb -0.38 0.55 -0.05 0.00 -1.53 0.00 0.00 34.83 33.43 1mui s MET 36 CO 0.32 -0.79 0.24 -1.54 -2.03 0.00 0.00 175.02 171.22 1mui s SER 37 N -3.00 6.50 0.03 -1.18 1.04 -1.26 -5.10 113.70 110.74 1mui s SER 37 Ca 0.17 0.57 -0.01 0.00 0.48 0.00 0.00 55.95 57.16 1mui s SER 37 Cb -0.04 -2.10 -0.03 0.00 0.10 0.00 0.00 66.02 63.96 1mui s SER 37 CO 0.09 0.31 -0.02 -0.76 0.98 0.00 0.00 173.24 173.85 1mui s LEU 38 N -1.44 2.28 0.00 2.42 1.43 -1.26 -4.96 118.68 117.15 1mui s LEU 38 Ca 0.23 -0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1mui s LEU 38 Cb -0.13 0.17 -0.01 0.00 0.03 0.00 0.00 46.19 46.25 1mui s LEU 38 CO 0.12 -0.41 0.70 -0.65 0.23 0.00 0.00 176.35 176.35 1mui h PRO 39 N 4.12 -0.06 -6.08 1.29 0.11 -1.99 -3.47 132.00 125.92 1mui h PRO 39 Ca -0.33 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.46 1mui h PRO 39 Cb 1.19 0.01 0.17 0.00 0.11 0.00 0.00 31.00 32.49 1mui h PRO 39 CO 0.49 -0.04 -1.09 0.41 -0.21 0.00 0.00 178.00 177.56 1mui n GLY 40 N -0.06 -2.43 4.01 -0.55 0.00 -1.26 -5.01 105.19 99.88 1mui n GLY 40 Ca -0.01 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 1mui n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1mui s ARG 41 N -2.91 1.72 0.13 1.61 1.70 -1.26 -5.12 118.95 114.82 1mui s ARG 41 Ca 0.37 -1.29 0.03 0.00 -0.47 0.00 0.00 55.73 54.37 1mui s ARG 41 Cb -0.03 -2.39 -0.01 0.00 -0.57 0.00 0.00 34.95 31.95 1mui s ARG 41 CO 0.47 -1.40 0.12 -2.67 -1.08 0.00 0.00 175.30 170.73 1mui n TRP 42 N -2.75 -0.36 -3.67 5.89 4.27 -1.26 -4.62 117.44 114.94 1mui n TRP 42 Ca 0.16 -1.12 -0.11 0.00 -3.89 0.00 0.00 57.50 52.54 1mui n TRP 42 Cb 0.61 0.12 -0.11 0.00 -1.36 0.00 0.00 31.31 30.57 1mui n TRP 42 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1mui s LYS 43 N -2.53 0.26 0.13 -2.67 1.02 -1.12 -4.88 119.74 109.95 1mui s LYS 43 Ca 0.16 0.85 -0.35 0.00 0.02 0.00 0.00 55.97 56.64 1mui s LYS 43 Cb 0.01 0.10 -0.16 0.00 -0.52 0.00 0.00 37.83 37.26 1mui s LYS 43 CO 0.11 -0.24 1.36 -0.35 -0.92 0.00 0.00 175.35 175.31 1mui n PRO 44 N 5.09 1.42 -3.68 -1.68 -0.04 -1.26 -2.10 135.00 132.74 1mui n PRO 44 Ca -0.12 0.51 -0.14 0.00 -0.04 0.00 0.00 63.50 63.71 1mui n PRO 44 Cb 0.51 -2.15 -0.08 0.00 -0.04 0.00 0.00 33.50 31.73 1mui n PRO 44 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1mui s LYS 45 N 0.33 0.69 0.05 0.54 2.20 -0.03 -4.91 119.74 118.62 1mui s LYS 45 Ca 0.80 0.49 0.07 0.00 -0.36 0.00 0.00 55.97 56.97 1mui s LYS 45 Cb -0.86 0.33 -0.03 0.00 -1.51 0.00 0.00 37.83 35.76 1mui s LYS 45 CO 0.46 -0.13 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.50 1mui s MET 46 N -0.24 2.02 -0.01 4.03 -1.94 -1.26 0.92 119.30 122.82 1mui s MET 46 Ca -0.04 -1.02 0.04 0.00 -1.71 0.00 0.00 55.69 52.96 1mui s MET 46 Cb -0.03 -2.17 -0.01 0.00 2.01 0.00 0.00 34.83 34.62 1mui s MET 46 CO 0.03 0.53 -0.14 0.96 -0.01 0.00 0.00 175.02 176.39 1mui s ILE 47 N -0.96 1.10 0.04 2.53 -4.36 -1.06 -4.99 121.20 113.52 1mui s ILE 47 Ca 0.15 -0.63 -0.27 0.00 -0.26 0.00 0.00 60.65 59.65 1mui s ILE 47 Cb -0.10 -0.93 -0.05 0.00 1.25 0.00 0.00 42.46 42.63 1mui s ILE 47 CO 0.06 0.29 0.83 -0.83 0.24 0.00 0.00 174.94 175.53 1mui s GLY 48 N -0.39 2.84 0.00 6.27 0.00 -1.26 -3.12 107.32 111.65 1mui s GLY 48 Ca 0.05 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.14 1mui s GLY 48 CO -0.00 1.25 0.00 0.61 0.00 0.00 0.00 173.10 174.96 1mui n GLY 49 N 2.48 5.61 0.11 0.20 0.00 -0.28 -5.02 105.19 108.30 1mui n GLY 49 Ca -0.00 -1.82 -0.15 0.00 0.00 0.00 0.00 46.02 44.05 1mui n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1mui h ILE 50 N 0.00 0.84 -0.31 -0.61 -0.00 -2.04 -3.38 117.51 112.02 1mui h ILE 50 Ca 0.00 -2.60 0.00 0.00 -0.00 0.00 0.00 64.86 62.26 1mui h ILE 50 Cb 0.00 2.52 0.00 0.00 -0.00 0.00 0.00 36.82 39.34 1mui h ILE 50 CO 0.00 0.71 0.00 0.61 -0.00 0.00 0.00 178.15 179.47 1mui n GLY 51 N 1.73 1.71 0.00 8.18 0.00 -1.26 -5.08 105.19 110.48 1mui n GLY 51 Ca -0.22 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1mui n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mui n GLY 52 N 0.88 0.49 3.47 -0.02 0.00 -1.26 -5.11 105.19 103.64 1mui n GLY 52 Ca 0.13 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 1mui n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mui s PHE 53 N -2.72 2.74 0.17 1.61 -0.71 -1.26 -1.12 117.98 116.69 1mui s PHE 53 Ca 0.00 -0.21 0.11 0.00 -1.04 0.00 0.00 56.93 55.79 1mui s PHE 53 Cb 0.00 -1.67 -0.04 0.00 -1.21 0.00 0.00 43.02 40.10 1mui s PHE 53 CO 0.00 0.15 -0.21 0.96 -1.34 0.00 0.00 175.22 174.77 1mui s ILE 54 N -0.59 2.54 -0.22 -4.49 -4.36 -1.18 -4.98 121.20 107.93 1mui s ILE 54 Ca 0.08 -1.87 -0.12 0.00 -0.26 0.00 0.00 60.65 58.48 1mui s ILE 54 Cb -0.11 -2.21 -0.05 0.00 1.25 0.00 0.00 42.46 41.34 1mui s ILE 54 CO 0.01 -0.06 0.23 -0.54 0.24 0.00 0.00 174.94 174.82 1mui s LYS 55 N -2.56 4.13 0.24 0.37 1.02 -1.26 -2.55 119.74 119.13 1mui s LYS 55 Ca 0.20 -0.11 0.06 0.00 0.02 0.00 0.00 55.97 56.15 1mui s LYS 55 Cb -0.09 -3.51 -0.05 0.00 -0.52 0.00 0.00 37.83 33.66 1mui s LYS 55 CO 0.10 0.08 -0.07 0.14 -0.92 0.00 0.00 175.35 174.68 1mui s VAL 56 N 0.99 1.50 -0.13 3.17 -7.23 0.26 -4.48 120.40 114.48 1mui s VAL 56 Ca 0.11 -2.12 -0.10 0.00 -1.81 0.00 0.00 61.98 58.07 1mui s VAL 56 Cb -0.13 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 1mui s VAL 56 CO 0.05 -0.40 0.19 -0.13 -0.31 0.00 0.00 175.10 174.50 1mui s ARG 57 N -3.74 3.81 0.07 4.82 3.00 -0.44 -0.85 118.95 125.62 1mui s ARG 57 Ca 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 55.73 55.94 1mui s ARG 57 Cb 0.03 -3.29 -0.04 0.00 0.00 0.00 0.00 34.95 31.65 1mui s ARG 57 CO 0.09 0.57 0.23 -1.14 0.00 0.00 0.00 175.30 175.05 1mui s GLN 58 N -0.46 3.47 -0.05 3.54 0.74 -0.89 -1.78 119.66 124.22 1mui s GLN 58 Ca 0.14 -0.38 -0.03 0.00 0.05 0.00 0.00 55.36 55.14 1mui s GLN 58 Cb -0.12 -3.02 0.03 0.00 1.10 0.00 0.00 33.01 31.00 1mui s GLN 58 CO 0.04 0.59 0.12 0.71 -0.55 0.00 0.00 175.29 176.19 1mui s TYR 59 N -1.52 -0.12 0.28 1.67 1.51 -0.49 -2.78 117.35 115.89 1mui s TYR 59 Ca 0.36 0.36 0.08 0.00 -1.01 0.00 0.00 57.07 56.86 1mui s TYR 59 Cb -0.13 -0.06 -0.04 0.00 -0.11 0.00 0.00 41.96 41.63 1mui s TYR 59 CO 0.27 -0.12 0.16 -0.51 -1.11 0.00 0.00 175.55 174.24 1mui s ASP 60 N 0.75 5.18 -1.40 2.29 1.01 -1.26 -1.03 116.67 122.22 1mui s ASP 60 Ca -0.06 -0.43 -0.05 0.00 0.71 0.00 0.00 52.55 52.73 1mui s ASP 60 Cb -0.08 -1.15 0.03 0.00 1.01 0.00 0.00 42.92 42.73 1mui s ASP 60 CO -0.03 -0.10 0.77 0.00 0.21 0.00 0.00 175.17 176.01 1mui n GLN 61 N -1.14 -4.92 -3.54 8.23 1.13 -1.22 -4.93 117.38 110.99 1mui n GLN 61 Ca -0.06 0.59 -0.40 0.00 -1.94 0.00 0.00 57.00 55.18 1mui n GLN 61 Cb 0.59 -5.21 -0.11 0.00 0.11 0.00 0.00 30.24 25.62 1mui n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mui s ILE 62 N -3.57 5.16 0.20 5.09 -1.09 -0.82 -4.86 121.20 121.30 1mui s ILE 62 Ca 0.24 -0.33 -0.30 0.00 -2.23 0.00 0.00 60.65 58.02 1mui s ILE 62 Cb -0.12 -3.69 -0.09 0.00 -1.58 0.00 0.00 42.46 36.98 1mui s ILE 62 CO 0.83 -0.05 1.42 -0.22 -1.23 0.00 0.00 174.94 175.68 1mui s LEU 63 N 1.69 4.39 -0.04 2.97 2.96 -1.26 -2.80 118.68 126.58 1mui s LEU 63 Ca 0.06 2.53 -0.02 0.00 -0.22 0.00 0.00 54.13 56.48 1mui s LEU 63 Cb -0.18 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 42.94 1mui s LEU 63 CO 0.10 -0.67 0.07 -0.63 -1.32 0.00 0.00 176.35 173.90 1mui s ILE 64 N 0.37 -0.11 -0.84 6.68 1.01 0.53 -4.51 121.20 124.34 1mui s ILE 64 Ca 0.61 0.33 -0.12 0.00 0.00 0.00 0.00 60.65 61.47 1mui s ILE 64 Cb -0.40 -0.16 0.22 0.00 0.01 0.00 0.00 42.46 42.14 1mui s ILE 64 CO 0.38 0.14 0.78 -1.61 0.00 0.00 0.00 174.94 174.62 1mui s GLU 65 N 1.75 3.57 -0.57 2.79 2.02 -0.90 0.22 118.70 127.58 1mui s GLU 65 Ca -0.01 -2.56 -0.28 0.00 0.02 0.00 0.00 54.97 52.14 1mui s GLU 65 Cb -0.12 -4.37 0.03 0.00 0.10 0.00 0.00 34.13 29.76 1mui s GLU 65 CO -0.04 -1.27 1.17 0.42 0.02 0.00 0.00 175.26 175.55 1mui s ILE 66 N -0.03 4.06 -0.99 -1.63 1.01 0.28 -2.57 121.20 121.33 1mui s ILE 66 Ca 0.19 0.86 -0.14 0.00 0.00 0.00 0.00 60.65 61.56 1mui s ILE 66 Cb -0.11 -4.70 0.01 0.00 0.01 0.00 0.00 42.46 37.66 1mui s ILE 66 CO -0.08 -1.31 0.69 0.00 0.00 0.00 0.00 174.94 174.24 1mui n GLY 68 N -1.77 0.37 3.00 0.00 0.00 -1.26 -4.99 105.19 100.54 1mui n GLY 68 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1mui n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mui s HIS 69 N -1.84 2.11 -0.09 1.61 4.02 -0.50 -5.11 115.29 115.48 1mui s HIS 69 Ca 0.00 -1.19 -0.25 0.00 1.02 0.00 0.00 55.06 54.64 1mui s HIS 69 Cb 0.00 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.58 29.97 1mui s HIS 69 CO 0.00 -0.66 0.77 0.15 1.02 0.00 0.00 174.74 176.03 1mui s LYS 70 N 1.51 4.41 0.08 1.40 1.02 -1.26 0.10 119.74 126.99 1mui s LYS 70 Ca 0.05 0.98 -0.00 0.00 0.02 0.00 0.00 55.97 57.01 1mui s LYS 70 Cb -0.13 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.65 1mui s LYS 70 CO -0.10 -0.07 -0.01 0.00 -0.92 0.00 0.00 175.35 174.24 1mui s ALA 71 N 1.25 0.70 -0.02 5.17 0.00 0.13 -4.95 121.76 124.04 1mui s ALA 71 Ca 0.39 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1mui s ALA 71 Cb -0.18 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1mui s ALA 71 CO 0.18 -0.37 -0.03 0.42 0.00 0.00 0.00 175.76 175.95 1mui s ILE 72 N -3.89 0.30 0.00 0.00 1.01 -1.26 -0.34 121.20 117.01 1mui s ILE 72 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1mui s ILE 72 Cb 0.07 -0.31 0.00 0.00 0.01 0.00 0.00 42.46 42.23 1mui s ILE 72 CO -0.06 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.62 1mui n GLY 73 N 3.52 1.14 3.68 6.18 0.00 -1.12 -4.89 105.19 113.71 1mui n GLY 73 Ca -0.19 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1mui n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mui s THR 74 N -2.34 4.86 0.10 2.61 2.01 -1.26 -1.94 115.64 119.69 1mui s THR 74 Ca 0.00 1.79 0.07 0.00 0.31 0.00 0.00 61.69 63.87 1mui s THR 74 Cb 0.00 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 1mui s THR 74 CO 0.00 0.05 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.16 1mui s VAL 75 N 1.92 3.21 -0.01 3.82 1.01 -0.19 -4.44 120.40 125.70 1mui s VAL 75 Ca 0.43 -1.32 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1mui s VAL 75 Cb -0.17 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1mui s VAL 75 CO 0.16 0.13 -0.17 -0.76 0.00 0.00 0.00 175.10 174.45 1mui s LEU 76 N -2.13 2.04 -0.07 3.92 1.43 -0.09 -1.40 118.68 122.38 1mui s LEU 76 Ca 0.20 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 1mui s LEU 76 Cb -0.11 -0.90 0.01 0.00 0.03 0.00 0.00 46.19 45.22 1mui s LEU 76 CO 0.12 0.21 -0.16 -0.69 0.23 0.00 0.00 176.35 176.06 1mui s VAL 77 N -0.42 1.44 0.00 -1.59 1.01 -0.74 0.12 120.40 120.24 1mui s VAL 77 Ca 0.07 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1mui s VAL 77 Cb -0.07 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1mui s VAL 77 CO -0.01 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1mui n GLY 78 N 3.60 1.16 2.46 4.51 0.00 -1.08 -1.32 105.19 114.51 1mui n GLY 78 Ca -0.21 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 44.92 1mui n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mui n PRO 79 N 0.00 1.80 -3.63 1.61 -0.04 -1.26 -3.78 135.00 129.70 1mui n PRO 79 Ca 0.00 -1.17 -0.37 0.00 -0.04 0.00 0.00 63.50 61.92 1mui n PRO 79 Cb 0.00 -2.23 -0.06 0.00 -0.04 0.00 0.00 33.50 31.17 1mui n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1mui s THR 80 N 2.82 5.27 0.11 0.52 -1.32 -1.26 -5.01 115.64 116.78 1mui s THR 80 Ca 0.40 0.54 -0.17 0.00 -1.21 0.00 0.00 61.69 61.25 1mui s THR 80 Cb 0.13 -3.59 -0.04 0.00 -1.51 0.00 0.00 72.50 67.50 1mui s THR 80 CO -0.02 0.53 1.59 -0.65 -2.21 0.00 0.00 174.62 173.85 1mui h PRO 81 N 5.48 0.56 -6.05 7.08 0.11 -1.98 -3.43 132.00 133.76 1mui h PRO 81 Ca -0.49 -0.15 -0.60 0.00 0.11 0.00 0.00 66.00 64.87 1mui h PRO 81 Cb 1.20 -0.06 -0.12 0.00 0.11 0.00 0.00 31.00 32.13 1mui h PRO 81 CO 0.65 0.64 -0.67 0.14 -0.21 0.00 0.00 178.00 178.55 1mui s VAL 82 N -5.18 2.55 0.13 3.15 -7.23 -1.26 -5.01 120.40 107.56 1mui s VAL 82 Ca -0.13 -2.13 -0.28 0.00 -1.81 0.00 0.00 61.98 57.63 1mui s VAL 82 Cb 0.09 -2.65 -0.07 0.00 0.56 0.00 0.00 36.38 34.32 1mui s VAL 82 CO 0.76 -0.26 0.86 0.20 -0.31 0.00 0.00 175.10 176.35 1mui s ASN 83 N -3.63 7.43 -0.09 4.85 0.01 -1.26 -4.62 114.94 117.62 1mui s ASN 83 Ca 0.33 1.70 0.01 0.00 -0.71 0.00 0.00 52.86 54.18 1mui s ASN 83 Cb -0.01 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 39.13 1mui s ASN 83 CO 0.18 0.06 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.10 1mui s ILE 84 N -0.50 1.10 -0.45 0.60 1.01 -0.19 -1.21 121.20 121.56 1mui s ILE 84 Ca 0.41 -0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.53 1mui s ILE 84 Cb -0.23 -1.06 0.07 0.00 0.01 0.00 0.00 42.46 41.25 1mui s ILE 84 CO 0.28 0.37 0.35 -0.63 0.00 0.00 0.00 174.94 175.31 1mui s ILE 85 N 1.21 5.04 0.00 2.92 -1.09 -0.34 -1.80 121.20 127.14 1mui s ILE 85 Ca -0.04 -1.07 0.00 0.00 -2.23 0.00 0.00 60.65 57.31 1mui s ILE 85 Cb -0.14 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1mui s ILE 85 CO -0.03 -0.52 0.00 0.61 -1.23 0.00 0.00 174.94 173.77 1mui n GLY 86 N 5.14 -0.26 0.22 6.18 0.00 -1.16 -2.25 105.19 113.06 1mui n GLY 86 Ca -0.12 -1.79 0.11 0.00 0.00 0.00 0.00 46.02 44.21 1mui n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mui h ARG 87 N 0.00 0.00 0.00 1.61 3.08 0.29 -1.40 114.38 117.96 1mui h ARG 87 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mui h ARG 87 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1mui h ARG 87 CO 0.00 0.19 0.03 -2.95 -1.07 0.00 0.00 179.97 176.18 1mui h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.56 -2.97 115.58 117.02 1mui h ASN 88 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.25 1mui h ASN 88 Cb 0.82 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.04 1mui h ASN 88 CO 0.03 0.00 -1.46 0.18 0.07 0.00 0.00 177.43 176.24 1mui n LEU 89 N -2.83 2.84 -0.33 6.14 4.77 -1.09 -4.65 117.00 121.85 1mui n LEU 89 Ca -0.02 -0.04 0.21 0.00 -0.03 0.00 0.00 56.01 56.13 1mui n LEU 89 Cb 0.09 -0.26 0.47 0.00 -2.33 0.00 0.00 43.42 41.39 1mui n LEU 89 CO 0.16 0.61 1.20 -0.07 -1.33 0.00 0.00 177.39 177.97 1mui h LEU 90 N 0.00 0.52 -0.82 2.23 3.38 -1.11 0.30 115.31 119.80 1mui h LEU 90 Ca -0.18 0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1mui h LEU 90 Cb 1.29 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1mui h LEU 90 CO -0.03 0.09 -0.28 0.71 0.09 0.00 0.00 178.44 179.02 1mui h THR 91 N 0.45 1.28 0.00 0.22 1.35 -1.81 -1.20 112.91 113.19 1mui h THR 91 Ca 0.62 -1.35 -0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1mui h THR 91 Cb 1.44 1.37 -0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1mui h THR 91 CO -0.36 0.43 -0.01 1.56 -0.25 0.00 0.00 175.52 176.90 1mui h GLN 92 N 0.49 0.00 -0.41 4.72 4.20 -0.67 -0.99 115.11 122.45 1mui h GLN 92 Ca 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1mui h GLN 92 Cb 0.74 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1mui h GLN 92 CO 0.06 0.01 0.01 0.44 -0.67 0.00 0.00 178.83 178.68 1mui n ILE 93 N -4.07 2.52 -3.42 2.54 -5.35 -1.10 -4.96 119.36 105.53 1mui n ILE 93 Ca -0.03 -1.70 -0.25 0.00 -0.27 0.00 0.00 62.75 60.50 1mui n ILE 93 Cb 0.09 -0.27 0.02 0.00 -1.74 0.00 0.00 39.64 37.74 1mui n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mui n GLY 94 N -0.05 -0.50 3.71 3.28 0.00 -0.38 -4.93 105.19 106.32 1mui n GLY 94 Ca 0.25 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 1mui n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mui s THR 96 N 0.91 1.44 0.02 0.00 -4.23 -1.26 -4.68 115.64 107.84 1mui s THR 96 Ca 0.54 -0.94 -0.21 0.00 -1.18 0.00 0.00 61.69 59.90 1mui s THR 96 Cb -0.25 -1.23 -0.06 0.00 1.34 0.00 0.00 72.50 72.30 1mui s THR 96 CO 0.29 0.28 0.63 -0.22 -0.54 0.00 0.00 174.62 175.05 1mui s LEU 97 N -0.77 4.44 -0.06 4.79 2.96 -1.26 -5.06 118.68 123.72 1mui s LEU 97 Ca 0.06 1.24 -0.10 0.00 -0.22 0.00 0.00 54.13 55.11 1mui s LEU 97 Cb -0.08 -2.99 0.02 0.00 0.50 0.00 0.00 46.19 43.65 1mui s LEU 97 CO 0.00 0.11 0.25 0.21 -1.32 0.00 0.00 176.35 175.60 1mui s ASN 98 N -0.29 -0.20 0.00 3.68 3.04 -1.26 -5.29 114.94 114.62 1mui s ASN 98 Ca 0.32 0.31 0.00 0.00 0.04 0.00 0.00 52.86 53.53 1mui s ASN 98 Cb -0.19 0.43 0.00 0.00 -1.54 0.00 0.00 41.25 39.95 1mui s ASN 98 CO 0.19 -0.22 0.00 2.22 -3.04 0.00 0.00 177.10 176.25