#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d20 s GLN 2 N 0.00 3.32 -0.24 0.54 0.74 -1.26 -5.09 119.66 117.67 3d20 s GLN 2 Ca 0.00 -0.66 -0.03 0.00 0.05 0.00 0.00 55.36 54.72 3d20 s GLN 2 Cb 0.00 -2.92 0.01 0.00 1.10 0.00 0.00 33.01 31.20 3d20 s GLN 2 CO 0.00 -0.18 -0.04 0.42 -0.55 0.00 0.00 175.29 174.95 3d20 s ILE 3 N 1.38 3.23 0.96 -2.34 1.01 -1.26 -5.11 121.20 119.08 3d20 s ILE 3 Ca 0.05 -0.71 -0.14 0.00 0.00 0.00 0.00 60.65 59.84 3d20 s ILE 3 Cb -0.14 -2.55 0.17 0.00 0.01 0.00 0.00 42.46 39.95 3d20 s ILE 3 CO -0.04 0.31 1.17 0.42 0.00 0.00 0.00 174.94 176.79 3d20 s THR 4 N 1.42 1.94 -0.12 2.92 -4.23 -1.26 -5.00 115.64 111.31 3d20 s THR 4 Ca 0.04 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 60.72 3d20 s THR 4 Cb -0.15 -2.76 0.27 0.00 1.34 0.00 0.00 72.50 71.20 3d20 s THR 4 CO -0.03 0.00 1.14 0.18 -0.54 0.00 0.00 174.62 175.37 3d20 n LEU 5 N -3.90 2.20 0.00 4.79 4.77 -1.26 -4.61 117.00 118.99 3d20 n LEU 5 Ca 0.09 -2.95 0.03 0.00 -0.03 0.00 0.00 56.01 53.14 3d20 n LEU 5 Cb 0.59 -0.40 0.38 0.00 -2.33 0.00 0.00 43.42 41.66 3d20 n LEU 5 CO 0.53 0.68 1.08 -0.50 -1.33 0.00 0.00 177.39 177.86 3d20 h TRP 6 N 0.00 0.52 -2.60 -1.77 4.06 -2.06 -3.44 115.95 110.66 3d20 h TRP 6 Ca 0.00 -0.01 -0.50 0.00 2.06 0.00 0.00 58.89 60.44 3d20 h TRP 6 Cb 1.03 -0.17 -0.14 0.00 -1.00 0.00 0.00 29.16 28.88 3d20 h TRP 6 CO 0.01 0.40 -0.62 -1.59 -3.56 0.00 0.00 178.44 173.08 3d20 s LYS 7 N -5.31 1.69 0.24 0.49 -2.85 -1.26 -5.11 119.74 107.63 3d20 s LYS 7 Ca -0.08 -1.93 -0.31 0.00 -1.00 0.00 0.00 55.97 52.65 3d20 s LYS 7 Cb 0.17 -1.05 -0.13 0.00 -2.06 0.00 0.00 37.83 34.76 3d20 s LYS 7 CO 0.74 -0.13 1.53 0.54 0.10 0.00 0.00 175.35 178.13 3d20 n ARG 8 N -0.72 2.34 -2.68 1.78 1.74 -1.26 -4.87 116.66 113.00 3d20 n ARG 8 Ca -0.03 0.84 -0.43 0.00 -0.77 0.00 0.00 57.85 57.45 3d20 n ARG 8 Cb 0.66 -2.57 -0.00 0.00 -1.02 0.00 0.00 32.46 29.52 3d20 n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3d20 s PRO 9 N -0.05 3.97 -0.01 5.56 0.04 -1.26 -4.96 135.00 138.29 3d20 s PRO 9 Ca 0.69 -2.06 -0.17 0.00 0.04 0.00 0.00 61.00 59.50 3d20 s PRO 9 Cb -0.59 -5.39 -0.06 0.00 0.04 0.00 0.00 34.50 28.51 3d20 s PRO 9 CO 0.45 -2.12 0.46 -0.51 0.04 0.00 0.00 177.00 175.33 3d20 s LEU 10 N 3.59 4.43 0.18 -3.56 1.43 -1.26 -0.95 118.68 122.54 3d20 s LEU 10 Ca 0.50 0.99 0.01 0.00 -1.03 0.00 0.00 54.13 54.60 3d20 s LEU 10 Cb 0.02 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 3d20 s LEU 10 CO 0.04 0.23 0.03 0.68 0.23 0.00 0.00 176.35 177.55 3d20 s VAL 11 N -0.63 0.55 0.03 -1.59 -7.23 0.14 -4.94 120.40 106.72 3d20 s VAL 11 Ca 0.25 -1.97 -0.23 0.00 -1.81 0.00 0.00 61.98 58.22 3d20 s VAL 11 Cb -0.17 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 3d20 s VAL 11 CO 0.14 -0.40 0.69 -0.89 -0.31 0.00 0.00 175.10 174.33 3d20 s THR 12 N -3.75 4.80 0.21 5.32 2.01 -1.26 -0.73 115.64 122.24 3d20 s THR 12 Ca 0.26 1.46 0.10 0.00 0.31 0.00 0.00 61.69 63.82 3d20 s THR 12 Cb 0.07 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 3d20 s THR 12 CO 0.05 0.39 -0.19 0.27 -0.69 0.00 0.00 174.62 174.45 3d20 s ILE 13 N -0.15 2.10 -0.16 1.82 -4.36 0.39 -1.30 121.20 119.56 3d20 s ILE 13 Ca 0.35 -2.14 0.02 0.00 -0.26 0.00 0.00 60.65 58.62 3d20 s ILE 13 Cb -0.20 -2.07 0.01 0.00 1.25 0.00 0.00 42.46 41.46 3d20 s ILE 13 CO 0.20 -0.35 -0.21 -0.75 0.24 0.00 0.00 174.94 174.08 3d20 s LYS 14 N -3.13 3.03 -0.12 0.37 2.20 0.04 -1.10 119.74 121.03 3d20 s LYS 14 Ca 0.22 -0.84 -0.07 0.00 -0.36 0.00 0.00 55.97 54.92 3d20 s LYS 14 Cb -0.05 -2.50 0.04 0.00 -1.51 0.00 0.00 37.83 33.81 3d20 s LYS 14 CO 0.10 -0.08 0.29 -1.50 -0.36 0.00 0.00 175.35 173.80 3d20 s ILE 15 N 0.99 -0.03 -1.60 5.43 2.07 -0.29 -1.58 121.20 126.20 3d20 s ILE 15 Ca -0.03 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.31 3d20 s ILE 15 Cb -0.15 -0.44 0.00 0.00 0.13 0.00 0.00 42.46 42.01 3d20 s ILE 15 CO -0.06 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 3d20 n GLY 16 N 3.86 -0.26 2.39 1.50 0.00 -1.26 -0.92 105.19 110.50 3d20 n GLY 16 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3d20 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d20 n GLY 17 N -0.88 0.80 3.42 -0.02 0.00 -1.26 -5.03 105.19 102.22 3d20 n GLY 17 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 3d20 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d20 s GLN 18 N -0.09 2.23 -0.03 1.61 -0.21 -0.10 -5.12 119.66 117.96 3d20 s GLN 18 Ca 0.00 -0.87 -0.21 0.00 0.02 0.00 0.00 55.36 54.30 3d20 s GLN 18 Cb 0.00 -2.21 -0.05 0.00 1.00 0.00 0.00 33.01 31.75 3d20 s GLN 18 CO 0.00 0.58 0.62 -0.51 -2.12 0.00 0.00 175.29 173.86 3d20 s LEU 19 N -0.96 4.38 0.05 2.90 1.43 -1.26 -1.13 118.68 124.09 3d20 s LEU 19 Ca 0.12 1.16 -0.00 0.00 -1.03 0.00 0.00 54.13 54.37 3d20 s LEU 19 Cb -0.10 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 3d20 s LEU 19 CO 0.02 0.03 -0.03 -0.54 0.23 0.00 0.00 176.35 176.06 3d20 s LYS 20 N 0.13 0.58 -0.05 1.70 1.02 -0.26 -4.98 119.74 117.88 3d20 s LYS 20 Ca 0.33 -1.11 -0.13 0.00 0.02 0.00 0.00 55.97 55.08 3d20 s LYS 20 Cb -0.18 0.14 -0.05 0.00 -0.52 0.00 0.00 37.83 37.22 3d20 s LYS 20 CO 0.17 -0.09 0.33 -1.21 -0.92 0.00 0.00 175.35 173.63 3d20 s GLU 21 N -3.42 3.85 0.05 1.68 2.02 -1.26 -0.46 118.70 121.15 3d20 s GLU 21 Ca 0.03 0.23 -0.05 0.00 0.02 0.00 0.00 54.97 55.20 3d20 s GLU 21 Cb 0.04 -3.24 -0.01 0.00 0.10 0.00 0.00 34.13 31.01 3d20 s GLU 21 CO -0.08 0.64 0.09 0.00 0.02 0.00 0.00 175.26 175.93 3d20 s ALA 22 N -0.82 0.01 -0.16 5.21 0.00 0.09 -4.46 121.76 121.62 3d20 s ALA 22 Ca 0.21 -0.67 -0.18 0.00 0.00 0.00 0.00 51.96 51.32 3d20 s ALA 22 Cb -0.15 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 3d20 s ALA 22 CO 0.10 -0.35 0.48 -1.17 0.00 0.00 0.00 175.76 174.82 3d20 s LEU 23 N -2.34 4.21 -0.47 0.00 2.96 0.10 -0.69 118.68 122.45 3d20 s LEU 23 Ca -0.02 0.72 -0.29 0.00 -0.22 0.00 0.00 54.13 54.32 3d20 s LEU 23 Cb 0.01 -2.67 0.02 0.00 0.50 0.00 0.00 46.19 44.05 3d20 s LEU 23 CO -0.06 -0.08 1.30 -0.76 -1.32 0.00 0.00 176.35 175.43 3d20 s LEU 24 N 1.11 3.56 -0.37 -0.68 1.43 -0.13 -0.76 118.68 122.85 3d20 s LEU 24 Ca 0.24 0.56 0.03 0.00 -1.03 0.00 0.00 54.13 53.94 3d20 s LEU 24 Cb -0.15 -3.44 0.11 0.00 0.03 0.00 0.00 46.19 42.73 3d20 s LEU 24 CO 0.10 -1.42 0.09 -0.62 0.23 0.00 0.00 176.35 174.73 3d20 s ASP 25 N 3.44 4.55 0.51 2.29 -1.08 -0.31 -4.79 116.67 121.28 3d20 s ASP 25 Ca 0.54 -2.23 0.33 0.00 -0.52 0.00 0.00 52.55 50.68 3d20 s ASP 25 Cb -0.10 -1.50 1.46 0.00 -1.46 0.00 0.00 42.92 41.32 3d20 s ASP 25 CO 0.31 -0.36 1.99 0.71 0.52 0.00 0.00 175.17 178.33 3d20 h THR 26 N 6.38 0.00 -0.01 1.71 1.35 -1.94 -2.37 112.91 118.04 3d20 h THR 26 Ca -0.06 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3d20 h THR 26 Cb 1.00 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 3d20 h THR 26 CO 0.54 0.00 -0.06 0.61 -0.25 0.00 0.00 175.52 176.35 3d20 n GLY 27 N -0.19 -0.77 3.57 5.82 0.00 -1.26 -4.81 105.19 107.55 3d20 n GLY 27 Ca 0.00 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 3d20 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d20 s ALA 28 N -2.27 3.38 0.19 4.61 0.00 -0.89 -4.98 121.76 121.81 3d20 s ALA 28 Ca 0.35 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 51.27 3d20 s ALA 28 Cb 0.21 -2.14 0.11 0.00 0.00 0.00 0.00 23.12 21.30 3d20 s ALA 28 CO 0.42 -0.22 1.72 -0.44 0.00 0.00 0.00 175.76 177.24 3d20 h ASP 29 N 7.62 1.04 -4.31 0.00 3.32 -1.87 0.37 116.42 122.59 3d20 h ASP 29 Ca -0.37 -0.22 -0.38 0.00 0.02 0.00 0.00 57.03 56.08 3d20 h ASP 29 Cb 1.17 -0.27 -0.14 0.00 0.22 0.00 0.00 39.33 40.31 3d20 h ASP 29 CO 0.63 0.99 -0.61 -1.81 -1.72 0.00 0.00 179.24 176.72 3d20 s ASP 30 N -6.39 1.42 -0.07 6.45 -0.00 -1.26 -2.41 116.67 114.41 3d20 s ASP 30 Ca -0.12 -1.41 -0.25 0.00 -0.00 0.00 0.00 52.55 50.77 3d20 s ASP 30 Cb 0.14 0.16 -0.03 0.00 -0.00 0.00 0.00 42.92 43.19 3d20 s ASP 30 CO 0.84 -0.74 0.78 -0.89 -0.00 0.00 0.00 175.17 175.16 3d20 s THR 31 N -3.67 4.99 -0.06 -1.27 2.01 -1.26 -3.73 115.64 112.65 3d20 s THR 31 Ca 0.37 1.59 0.00 0.00 0.31 0.00 0.00 61.69 63.96 3d20 s THR 31 Cb 0.08 -4.11 0.02 0.00 0.01 0.00 0.00 72.50 68.50 3d20 s THR 31 CO 0.14 0.20 -0.03 0.54 -0.69 0.00 0.00 174.62 174.78 3d20 s VAL 32 N 1.07 0.54 0.09 3.82 0.11 -0.31 -1.18 120.40 124.53 3d20 s VAL 32 Ca 0.40 -0.06 0.10 0.00 -2.93 0.00 0.00 61.98 59.50 3d20 s VAL 32 Cb -0.18 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 3d20 s VAL 32 CO 0.19 0.25 -0.26 0.27 -3.33 0.00 0.00 175.10 172.23 3d20 s ILE 33 N 1.37 2.28 0.99 7.04 -4.36 0.25 -0.63 121.20 128.14 3d20 s ILE 33 Ca -0.04 -1.57 -0.11 0.00 -0.26 0.00 0.00 60.65 58.68 3d20 s ILE 33 Cb -0.13 -1.96 0.19 0.00 1.25 0.00 0.00 42.46 41.80 3d20 s ILE 33 CO -0.03 0.21 1.11 -1.61 0.24 0.00 0.00 174.94 174.87 3d20 s GLU 34 N -1.71 0.46 0.09 0.37 2.02 -1.26 -1.30 118.70 117.37 3d20 s GLU 34 Ca 0.13 1.37 -0.36 0.00 0.02 0.00 0.00 54.97 56.14 3d20 s GLU 34 Cb -0.10 -1.68 -0.15 0.00 0.10 0.00 0.00 34.13 32.30 3d20 s GLU 34 CO 0.05 -2.96 1.48 0.39 0.02 0.00 0.00 175.26 174.24 3d20 n GLU 35 N -4.44 1.62 -3.52 1.61 -0.58 -1.23 -4.57 120.64 109.52 3d20 n GLU 35 Ca 0.09 0.59 -0.10 0.00 -0.42 0.00 0.00 57.16 57.32 3d20 n GLU 35 Cb 0.53 -2.29 -0.02 0.00 -0.57 0.00 0.00 31.44 29.08 3d20 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3d20 s MET 36 N 0.97 1.24 0.12 3.49 0.23 -1.26 -5.04 119.30 119.05 3d20 s MET 36 Ca 0.83 -0.52 -0.21 0.00 -1.03 0.00 0.00 55.69 54.77 3d20 s MET 36 Cb -0.83 0.53 -0.07 0.00 -1.53 0.00 0.00 34.83 32.93 3d20 s MET 36 CO 0.44 -0.55 0.64 -1.12 -2.03 0.00 0.00 175.02 172.41 3d20 s SER 37 N -2.72 7.14 0.05 -1.18 0.01 -1.26 -5.03 113.70 110.71 3d20 s SER 37 Ca 0.04 1.38 0.03 0.00 1.31 0.00 0.00 55.95 58.71 3d20 s SER 37 Cb -0.02 -2.40 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 3d20 s SER 37 CO -0.08 0.22 -0.10 -0.76 0.41 0.00 0.00 173.24 172.92 3d20 s LEU 38 N -1.28 2.26 0.69 2.44 1.43 -1.26 -4.91 118.68 118.05 3d20 s LEU 38 Ca 0.33 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 3d20 s LEU 38 Cb -0.20 -0.31 0.01 0.00 0.03 0.00 0.00 46.19 45.72 3d20 s LEU 38 CO 0.21 -0.14 1.06 -2.16 0.23 0.00 0.00 176.35 175.55 3d20 s PRO 39 N -1.60 2.97 0.82 1.29 0.04 -1.26 -4.95 135.00 132.31 3d20 s PRO 39 Ca -0.06 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.79 3d20 s PRO 39 Cb -0.10 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3d20 s PRO 39 CO 0.01 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.42 3d20 n GLY 40 N -2.28 -1.84 3.83 0.56 0.00 -1.26 -4.98 105.19 99.22 3d20 n GLY 40 Ca 0.07 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 3d20 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d20 s ARG 41 N 0.00 3.65 0.15 1.61 0.52 -1.26 -5.07 118.95 118.54 3d20 s ARG 41 Ca 0.00 0.99 -0.11 0.00 -0.52 0.00 0.00 55.73 56.09 3d20 s ARG 41 Cb 0.00 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.39 3d20 s ARG 41 CO 0.00 -0.53 0.32 1.67 0.02 0.00 0.00 175.30 176.78 3d20 s TRP 42 N -2.70 0.20 0.03 -0.53 1.48 -1.26 -4.37 118.94 111.79 3d20 s TRP 42 Ca 0.59 -0.56 -0.01 0.00 -1.06 0.00 0.00 56.10 55.06 3d20 s TRP 42 Cb -0.12 0.06 -0.03 0.00 -1.16 0.00 0.00 33.47 32.22 3d20 s TRP 42 CO 0.38 -0.72 -0.02 -1.59 -4.06 0.00 0.00 176.95 170.94 3d20 s LYS 43 N -3.91 0.43 0.50 3.25 -2.85 -0.84 -4.93 119.74 111.39 3d20 s LYS 43 Ca 0.12 -0.82 -0.19 0.00 -1.00 0.00 0.00 55.97 54.08 3d20 s LYS 43 Cb 0.03 0.15 -0.08 0.00 -2.06 0.00 0.00 37.83 35.87 3d20 s LYS 43 CO -0.04 -0.08 1.03 -1.25 0.10 0.00 0.00 175.35 175.11 3d20 s PRO 44 N -2.36 3.75 0.00 1.78 0.04 -1.26 -0.38 135.00 136.57 3d20 s PRO 44 Ca -0.07 1.27 -0.14 0.00 0.04 0.00 0.00 61.00 62.10 3d20 s PRO 44 Cb -0.03 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.44 3d20 s PRO 44 CO -0.04 -0.46 0.30 0.21 0.04 0.00 0.00 177.00 177.05 3d20 s LYS 45 N -3.46 0.70 -0.13 4.56 2.20 -0.46 -4.85 119.74 118.29 3d20 s LYS 45 Ca 0.65 -0.28 -0.02 0.00 -0.36 0.00 0.00 55.97 55.97 3d20 s LYS 45 Cb -0.15 0.31 -0.02 0.00 -1.51 0.00 0.00 37.83 36.45 3d20 s LYS 45 CO 0.24 -0.20 -0.08 -1.64 -0.36 0.00 0.00 175.35 173.30 3d20 s MET 46 N -1.65 3.44 0.08 4.03 -1.94 -1.26 -0.59 119.30 121.42 3d20 s MET 46 Ca -0.11 -0.59 0.09 0.00 -1.71 0.00 0.00 55.69 53.36 3d20 s MET 46 Cb -0.04 -2.76 -0.03 0.00 2.01 0.00 0.00 34.83 34.01 3d20 s MET 46 CO 0.02 0.28 -0.23 0.96 -0.01 0.00 0.00 175.02 176.05 3d20 s ILE 47 N 0.22 1.86 0.12 2.53 -4.36 -0.57 -4.96 121.20 116.04 3d20 s ILE 47 Ca -0.05 -1.47 0.05 0.00 -0.26 0.00 0.00 60.65 58.93 3d20 s ILE 47 Cb -0.14 -1.64 -0.04 0.00 1.25 0.00 0.00 42.46 41.88 3d20 s ILE 47 CO 0.04 0.10 -0.13 -0.83 0.24 0.00 0.00 174.94 174.36 3d20 s GLY 48 N -1.64 1.02 0.00 6.27 0.00 -1.26 -0.90 107.32 110.81 3d20 s GLY 48 Ca 0.09 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.54 3d20 s GLY 48 CO 0.04 -1.33 0.00 0.61 0.00 0.00 0.00 173.10 172.42 3d20 n GLY 49 N 0.54 3.23 0.34 0.20 0.00 -0.59 -4.96 105.19 103.95 3d20 n GLY 49 Ca -0.16 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 3d20 n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3d20 h ILE 50 N 0.00 0.27 -1.07 -0.61 2.04 -2.04 -1.29 117.51 114.80 3d20 h ILE 50 Ca 0.00 0.00 -0.69 0.00 1.00 0.00 0.00 64.86 65.17 3d20 h ILE 50 Cb 0.00 0.27 -0.29 0.00 -0.74 0.00 0.00 36.82 36.06 3d20 h ILE 50 CO 0.00 0.00 0.88 0.61 0.00 0.00 0.00 178.15 179.64 3d20 n GLY 51 N -1.41 5.86 0.00 5.37 0.00 -1.26 -4.99 105.19 108.75 3d20 n GLY 51 Ca -0.03 -2.33 0.00 0.00 0.00 0.00 0.00 46.02 43.66 3d20 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d20 n GLY 52 N -0.89 -1.29 3.88 -0.02 0.00 -0.49 -5.04 105.19 101.35 3d20 n GLY 52 Ca 0.62 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 3d20 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d20 s PHE 53 N 0.00 3.43 0.07 1.61 0.40 -1.26 -1.55 117.98 120.69 3d20 s PHE 53 Ca 0.00 0.19 0.05 0.00 -0.60 0.00 0.00 56.93 56.56 3d20 s PHE 53 Cb 0.00 -1.71 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 3d20 s PHE 53 CO 0.00 0.56 -0.13 0.14 0.70 0.00 0.00 175.22 176.49 3d20 s VAL 54 N -1.52 1.07 -0.04 -0.44 -7.23 -0.08 -4.97 120.40 107.20 3d20 s VAL 54 Ca 0.33 -1.34 -0.21 0.00 -1.81 0.00 0.00 61.98 58.95 3d20 s VAL 54 Cb -0.12 -1.09 -0.05 0.00 0.56 0.00 0.00 36.38 35.68 3d20 s VAL 54 CO 0.27 -0.27 0.62 -0.75 -0.31 0.00 0.00 175.10 174.66 3d20 s LYS 55 N -1.86 4.38 0.23 4.82 2.20 -1.26 -1.51 119.74 126.74 3d20 s LYS 55 Ca -0.01 0.76 0.03 0.00 -0.36 0.00 0.00 55.97 56.39 3d20 s LYS 55 Cb -0.09 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 3d20 s LYS 55 CO 0.02 0.22 0.01 0.14 -0.36 0.00 0.00 175.35 175.37 3d20 s VAL 56 N 0.32 0.99 -0.19 4.02 -7.23 0.24 -4.47 120.40 114.07 3d20 s VAL 56 Ca 0.33 -2.03 -0.09 0.00 -1.81 0.00 0.00 61.98 58.38 3d20 s VAL 56 Cb -0.18 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 3d20 s VAL 56 CO 0.17 -0.30 0.12 -0.13 -0.31 0.00 0.00 175.10 174.65 3d20 s ARG 57 N -3.88 4.05 -0.33 4.82 0.52 -0.07 -1.36 118.95 122.70 3d20 s ARG 57 Ca 0.29 -0.22 -0.13 0.00 -0.52 0.00 0.00 55.73 55.15 3d20 s ARG 57 Cb 0.06 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 32.15 3d20 s ARG 57 CO 0.09 0.37 0.27 -1.14 0.02 0.00 0.00 175.30 174.91 3d20 s GLN 58 N 0.15 3.58 -0.16 3.54 0.74 0.48 -0.87 119.66 127.12 3d20 s GLN 58 Ca 0.09 -0.52 -0.04 0.00 0.05 0.00 0.00 55.36 54.93 3d20 s GLN 58 Cb -0.11 -3.79 -0.02 0.00 1.10 0.00 0.00 33.01 30.19 3d20 s GLN 58 CO -0.01 -0.43 -0.04 0.71 -0.55 0.00 0.00 175.29 174.97 3d20 s TYR 59 N 1.82 3.01 0.21 1.67 1.51 -0.51 -1.99 117.35 123.06 3d20 s TYR 59 Ca 0.08 -0.39 0.04 0.00 -1.01 0.00 0.00 57.07 55.80 3d20 s TYR 59 Cb -0.17 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 3d20 s TYR 59 CO 0.11 -0.11 0.32 -0.51 -1.11 0.00 0.00 175.55 174.24 3d20 s ASP 60 N 0.53 6.23 -1.21 2.29 1.01 -1.26 -0.97 116.67 123.30 3d20 s ASP 60 Ca -0.03 0.07 -0.01 0.00 0.71 0.00 0.00 52.55 53.29 3d20 s ASP 60 Cb -0.14 -1.82 -0.01 0.00 1.01 0.00 0.00 42.92 41.96 3d20 s ASP 60 CO 0.03 -0.03 0.93 0.00 0.21 0.00 0.00 175.17 176.31 3d20 n GLN 61 N -1.10 -5.84 -4.17 8.23 3.00 -1.17 -4.92 117.38 111.43 3d20 n GLN 61 Ca -0.08 0.80 -0.34 0.00 -0.01 0.00 0.00 57.00 57.37 3d20 n GLN 61 Cb 0.56 -5.72 -0.10 0.00 0.00 0.00 0.00 30.24 24.98 3d20 n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3d20 s ILE 62 N -3.42 4.45 0.03 5.09 -1.09 -0.20 -4.84 121.20 121.22 3d20 s ILE 62 Ca 0.05 -0.16 -0.23 0.00 -2.23 0.00 0.00 60.65 58.08 3d20 s ILE 62 Cb -0.01 -2.98 -0.05 0.00 -1.58 0.00 0.00 42.46 37.84 3d20 s ILE 62 CO 0.75 0.48 0.68 -0.63 -1.23 0.00 0.00 174.94 174.99 3d20 s ILE 63 N 0.28 4.80 0.03 2.92 1.01 -1.26 -1.53 121.20 127.45 3d20 s ILE 63 Ca 0.01 1.45 0.03 0.00 0.00 0.00 0.00 60.65 62.14 3d20 s ILE 63 Cb -0.13 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.29 3d20 s ILE 63 CO 0.01 0.40 -0.10 -0.63 0.00 0.00 0.00 174.94 174.62 3d20 s ILE 64 N -0.17 0.73 -0.21 2.92 1.01 -0.24 -4.52 121.20 120.72 3d20 s ILE 64 Ca 0.35 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 3d20 s ILE 64 Cb -0.19 -0.71 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 3d20 s ILE 64 CO 0.20 -0.14 -0.04 -0.70 0.00 0.00 0.00 174.94 174.26 3d20 s GLU 65 N -1.14 3.45 -0.25 2.79 2.12 -0.61 -0.94 118.70 124.12 3d20 s GLU 65 Ca -0.03 -0.60 0.02 0.00 0.36 0.00 0.00 54.97 54.72 3d20 s GLU 65 Cb -0.08 -3.00 0.05 0.00 0.26 0.00 0.00 34.13 31.36 3d20 s GLU 65 CO 0.01 -0.10 -0.11 0.42 -0.54 0.00 0.00 175.26 174.94 3d20 s ILE 66 N 1.25 2.31 -1.62 -3.70 1.01 0.12 -0.78 121.20 119.80 3d20 s ILE 66 Ca 0.03 -1.43 -0.16 0.00 0.00 0.00 0.00 60.65 59.09 3d20 s ILE 66 Cb -0.14 -2.28 0.12 0.00 0.01 0.00 0.00 42.46 40.17 3d20 s ILE 66 CO -0.01 0.08 0.84 0.00 0.00 0.00 0.00 174.94 175.85 3d20 n ALA 67 N 4.51 -1.32 -0.16 9.38 0.00 -0.42 -0.98 120.51 131.52 3d20 n ALA 67 Ca -0.15 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3d20 n ALA 67 Cb 0.44 -3.73 0.00 0.00 0.00 0.00 0.00 19.45 16.16 3d20 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d20 n GLY 68 N -1.54 1.22 3.38 0.00 0.00 -1.26 -5.03 105.19 101.95 3d20 n GLY 68 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3d20 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3d20 s HIS 69 N -2.65 3.00 0.33 1.61 4.02 -0.15 -5.07 115.29 116.38 3d20 s HIS 69 Ca 0.00 -0.68 -0.26 0.00 1.02 0.00 0.00 55.06 55.14 3d20 s HIS 69 Cb 0.00 -2.12 -0.10 0.00 -1.02 0.00 0.00 32.58 29.34 3d20 s HIS 69 CO 0.00 -0.41 0.95 0.15 1.02 0.00 0.00 174.74 176.45 3d20 s LYS 70 N 1.34 4.57 0.16 1.40 1.02 -1.26 -0.70 119.74 126.27 3d20 s LYS 70 Ca 0.04 1.34 -0.14 0.00 0.02 0.00 0.00 55.97 57.23 3d20 s LYS 70 Cb -0.15 -2.79 0.02 0.00 -0.52 0.00 0.00 37.83 34.39 3d20 s LYS 70 CO -0.00 0.26 0.40 0.00 -0.92 0.00 0.00 175.35 175.09 3d20 s ALA 71 N -1.62 -0.59 0.01 5.17 0.00 -0.11 -4.82 121.76 119.80 3d20 s ALA 71 Ca 0.50 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.07 3d20 s ALA 71 Cb -0.19 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 3d20 s ALA 71 CO 0.24 -0.70 -0.10 -1.50 0.00 0.00 0.00 175.76 173.70 3d20 s ILE 72 N -3.89 0.76 -0.83 0.00 2.07 -1.26 -1.08 121.20 116.97 3d20 s ILE 72 Ca 0.10 -0.57 0.00 0.00 -1.41 0.00 0.00 60.65 58.77 3d20 s ILE 72 Cb 0.01 -0.67 0.00 0.00 0.13 0.00 0.00 42.46 41.94 3d20 s ILE 72 CO -0.04 0.10 0.00 0.61 -1.91 0.00 0.00 174.94 173.70 3d20 n GLY 73 N 2.53 -1.05 3.76 1.50 0.00 -0.58 -4.92 105.19 106.43 3d20 n GLY 73 Ca -0.15 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 3d20 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d20 s THR 74 N -3.00 3.84 -0.08 2.61 2.01 -1.26 -1.04 115.64 118.71 3d20 s THR 74 Ca 0.00 1.78 0.02 0.00 0.31 0.00 0.00 61.69 63.80 3d20 s THR 74 Cb 0.00 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.41 3d20 s THR 74 CO 0.00 0.38 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.48 3d20 s VAL 75 N -1.25 1.30 -0.04 3.82 1.01 -0.14 -4.50 120.40 120.59 3d20 s VAL 75 Ca 0.44 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 3d20 s VAL 75 Cb -0.27 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 3d20 s VAL 75 CO 0.34 0.40 0.34 -0.76 0.00 0.00 0.00 175.10 175.42 3d20 s LEU 76 N 0.83 4.43 -0.11 3.92 1.43 -0.33 -1.43 118.68 127.43 3d20 s LEU 76 Ca -0.11 0.81 0.02 0.00 -1.03 0.00 0.00 54.13 53.82 3d20 s LEU 76 Cb -0.15 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.62 3d20 s LEU 76 CO 0.02 0.31 -0.17 -0.69 0.23 0.00 0.00 176.35 176.05 3d20 s VAL 77 N -0.88 1.58 -1.05 -1.59 1.01 -0.05 -0.58 120.40 118.84 3d20 s VAL 77 Ca 0.21 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3d20 s VAL 77 Cb -0.15 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.80 3d20 s VAL 77 CO 0.10 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3d20 n GLY 78 N 4.06 -1.02 2.53 4.51 0.00 -0.42 -0.90 105.19 113.96 3d20 n GLY 78 Ca -0.20 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 3d20 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3d20 n PRO 79 N 0.00 3.74 -2.90 1.61 -0.04 -1.26 -3.52 135.00 132.63 3d20 n PRO 79 Ca 0.00 -2.82 -0.40 0.00 -0.04 0.00 0.00 63.50 60.24 3d20 n PRO 79 Cb 0.00 -2.88 -0.06 0.00 -0.04 0.00 0.00 33.50 30.52 3d20 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3d20 s THR 80 N 1.24 4.27 0.19 0.52 -1.32 -1.26 -4.97 115.64 114.31 3d20 s THR 80 Ca 0.56 1.84 0.32 0.00 -1.21 0.00 0.00 61.69 63.20 3d20 s THR 80 Cb 0.16 -4.21 0.36 0.00 -1.51 0.00 0.00 72.50 67.30 3d20 s THR 80 CO -0.06 0.51 2.00 1.55 -2.21 0.00 0.00 174.62 176.41 3d20 h PRO 81 N 4.29 0.00 -3.65 7.08 0.13 -1.99 -3.44 132.00 134.43 3d20 h PRO 81 Ca -0.46 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.49 3d20 h PRO 81 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 3d20 h PRO 81 CO 0.67 0.05 -0.61 0.08 -0.23 0.00 0.00 178.00 177.96 3d20 s VAL 82 N -3.76 0.05 0.13 1.56 1.01 -1.26 -5.10 120.40 113.03 3d20 s VAL 82 Ca 0.00 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 3d20 s VAL 82 Cb 0.10 -0.24 -0.07 0.00 0.00 0.00 0.00 36.38 36.16 3d20 s VAL 82 CO 0.55 -0.24 1.25 0.20 0.00 0.00 0.00 175.10 176.87 3d20 s ASN 83 N -0.75 7.00 -0.08 3.32 0.01 -1.26 -4.78 114.94 118.40 3d20 s ASN 83 Ca -0.08 2.21 0.02 0.00 -0.71 0.00 0.00 52.86 54.30 3d20 s ASN 83 Cb -0.05 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.03 3d20 s ASN 83 CO 0.00 -0.48 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.34 3d20 s ILE 84 N 0.55 1.34 -0.40 0.60 1.01 0.20 -0.73 121.20 123.78 3d20 s ILE 84 Ca 0.58 -0.59 -0.17 0.00 0.00 0.00 0.00 60.65 60.47 3d20 s ILE 84 Cb -0.33 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 40.94 3d20 s ILE 84 CO 0.33 0.40 0.44 -0.63 0.00 0.00 0.00 174.94 175.48 3d20 s ILE 85 N 0.71 5.08 0.46 2.92 -1.09 0.07 -1.17 121.20 128.18 3d20 s ILE 85 Ca -0.13 -0.19 0.05 0.00 -2.23 0.00 0.00 60.65 58.15 3d20 s ILE 85 Cb -0.16 -4.00 0.08 0.00 -1.58 0.00 0.00 42.46 36.80 3d20 s ILE 85 CO 0.03 -0.35 0.63 0.61 -1.23 0.00 0.00 174.94 174.63 3d20 n GLY 86 N 5.05 1.61 0.32 6.18 0.00 -1.24 -1.16 105.19 115.95 3d20 n GLY 86 Ca -0.07 -2.15 0.11 0.00 0.00 0.00 0.00 46.02 43.91 3d20 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3d20 h ARG 87 N 0.00 0.21 -0.13 1.61 3.08 -0.88 -1.03 114.38 117.24 3d20 h ARG 87 Ca -0.21 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.86 3d20 h ARG 87 Cb 0.92 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 3d20 h ARG 87 CO 0.28 0.14 0.10 -2.95 -1.07 0.00 0.00 179.97 176.46 3d20 h ASN 88 N 0.21 0.00 0.00 7.04 -0.00 -1.73 -1.78 115.58 119.32 3d20 h ASN 88 Ca 0.15 0.00 -0.25 0.00 -0.00 0.00 0.00 56.30 56.20 3d20 h ASN 88 Cb 0.34 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.61 3d20 h ASN 88 CO -0.03 0.00 -2.07 0.18 -0.00 0.00 0.00 177.43 175.52 3d20 n LEU 89 N -4.43 0.00 -0.18 6.14 4.77 -0.72 -4.48 117.00 118.10 3d20 n LEU 89 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 3d20 n LEU 89 Cb 0.22 0.34 0.29 0.00 -2.33 0.00 0.00 43.42 41.94 3d20 n LEU 89 CO 0.34 0.34 1.23 -0.07 -1.33 0.00 0.00 177.39 177.89 3d20 h LEU 90 N 0.00 0.77 -1.25 2.23 3.38 -0.91 -1.63 115.31 117.90 3d20 h LEU 90 Ca -0.37 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.59 3d20 h LEU 90 Cb 1.81 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 42.34 3d20 h LEU 90 CO 0.02 0.54 0.48 0.71 0.09 0.00 0.00 178.44 180.29 3d20 h THR 91 N 0.90 1.19 0.00 0.22 1.35 -1.56 -1.94 112.91 113.08 3d20 h THR 91 Ca 0.27 -0.37 -0.08 0.00 -0.55 0.00 0.00 66.41 65.68 3d20 h THR 91 Cb -0.02 0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 66.49 3d20 h THR 91 CO -0.07 0.19 -0.37 1.56 -0.25 0.00 0.00 175.52 176.58 3d20 h GLN 92 N 1.01 0.00 -0.28 4.72 1.08 -1.52 -2.03 115.11 118.09 3d20 h GLN 92 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 3d20 h GLN 92 Cb -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 3d20 h GLN 92 CO -0.06 0.37 0.00 0.44 -0.95 0.00 0.00 178.83 178.64 3d20 n ILE 93 N -3.53 0.36 -1.85 2.54 -5.35 -1.11 -4.95 119.36 105.47 3d20 n ILE 93 Ca -0.00 -0.56 -0.04 0.00 -0.27 0.00 0.00 62.75 61.88 3d20 n ILE 93 Cb 0.51 0.70 -0.01 0.00 -1.74 0.00 0.00 39.64 39.10 3d20 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3d20 n GLY 94 N 1.33 0.32 3.74 3.28 0.00 -0.76 -5.01 105.19 108.09 3d20 n GLY 94 Ca 0.18 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 3d20 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d20 s ALA 95 N -2.21 3.43 0.11 4.61 0.00 -0.75 -5.04 121.76 121.91 3d20 s ALA 95 Ca 0.00 0.94 0.03 0.00 0.00 0.00 0.00 51.96 52.94 3d20 s ALA 95 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 3d20 s ALA 95 CO 0.00 -0.33 -0.09 0.95 0.00 0.00 0.00 175.76 176.28 3d20 s THR 96 N -0.30 0.93 -0.20 0.00 -4.23 -1.26 -4.73 115.64 105.86 3d20 s THR 96 Ca 0.51 -1.76 -0.10 0.00 -1.18 0.00 0.00 61.69 59.16 3d20 s THR 96 Cb -0.33 -1.49 -0.05 0.00 1.34 0.00 0.00 72.50 71.98 3d20 s THR 96 CO 0.38 -0.64 0.14 -0.22 -0.54 0.00 0.00 174.62 173.74 3d20 s LEU 97 N -2.66 4.21 -0.02 4.79 2.96 -1.26 -5.09 118.68 121.61 3d20 s LEU 97 Ca 0.08 0.25 0.05 0.00 -0.22 0.00 0.00 54.13 54.29 3d20 s LEU 97 Cb -0.01 -2.11 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 3d20 s LEU 97 CO -0.01 0.17 -0.16 0.20 -1.32 0.00 0.00 176.35 175.24 3d20 s ASN 98 N 0.37 1.89 0.00 3.68 0.01 -1.26 -5.30 114.94 114.34 3d20 s ASN 98 Ca 0.09 -0.30 0.00 0.00 -0.71 0.00 0.00 52.86 51.94 3d20 s ASN 98 Cb -0.11 -0.32 0.00 0.00 0.41 0.00 0.00 41.25 41.22 3d20 s ASN 98 CO -0.02 0.17 0.00 2.22 -1.51 0.00 0.00 177.10 177.97