#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ncu s LYS -5 N 0.00 -1.19 -0.39 -1.46 0.00 -1.26 -5.03 119.74 110.41 1ncu s LYS -5 Ca 0.00 0.52 0.04 0.00 0.00 0.00 0.00 55.97 56.54 1ncu s LYS -5 Cb 0.00 -1.55 0.16 0.00 0.00 0.00 0.00 37.83 36.44 1ncu s LYS -5 CO 0.00 -3.82 0.44 0.99 0.00 0.00 0.00 175.35 172.96 1ncu s THR -4 N -2.57 -0.47 0.51 3.79 2.01 -1.26 -4.77 115.64 112.88 1ncu s THR -4 Ca 0.68 -0.83 0.26 0.00 0.31 0.00 0.00 61.69 62.11 1ncu s THR -4 Cb -0.20 -0.52 0.43 0.00 0.01 0.00 0.00 72.50 72.22 1ncu s THR -4 CO 0.61 -0.47 1.92 0.74 -0.69 0.00 0.00 174.62 176.74 1ncu h THR -3 N 5.00 0.65 -1.27 -0.82 2.02 -1.96 -3.45 112.91 113.08 1ncu h THR -3 Ca 0.06 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1ncu h THR -3 Cb 1.08 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 1ncu h THR -3 CO 0.17 0.02 0.00 0.00 0.37 0.00 0.00 175.52 176.08 1ncu n LEU -2 N -4.36 0.00 0.00 2.58 -0.00 -1.26 -5.09 117.00 108.87 1ncu n LEU -2 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.17 1ncu n LEU -2 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.19 1ncu n LEU -2 CO 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.75 1ncu n ALA -1 N -3.00 0.04 -3.67 1.47 0.00 -1.26 -4.38 120.51 109.71 1ncu n ALA -1 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1ncu n ALA -1 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1ncu n ALA -1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ncu s ALA 0 N -2.97 -0.71 0.00 0.00 0.00 -1.26 -3.39 121.76 113.43 1ncu s ALA 0 Ca 0.00 1.09 -0.00 0.00 0.00 0.00 0.00 51.96 53.05 1ncu s ALA 0 Cb 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.08 1ncu s ALA 0 CO 0.00 -0.60 0.00 -0.98 0.00 0.00 0.00 175.76 174.18 1ncu s ARG 1 N 2.29 0.08 -0.15 0.00 1.70 -1.04 -4.03 118.95 117.80 1ncu s ARG 1 Ca -0.01 -0.12 -0.21 0.00 -0.47 0.00 0.00 55.73 54.92 1ncu s ARG 1 Cb -0.12 0.03 -0.03 0.00 -0.57 0.00 0.00 34.95 34.26 1ncu s ARG 1 CO -0.10 -0.01 0.62 0.42 -1.08 0.00 0.00 175.30 175.15 1ncu s ILE 2 N -0.30 5.06 -0.10 4.99 1.01 -1.26 -1.60 121.20 128.98 1ncu s ILE 2 Ca -0.03 1.21 0.16 0.00 0.00 0.00 0.00 60.65 61.98 1ncu s ILE 2 Cb -0.02 -3.95 -0.13 0.00 0.01 0.00 0.00 42.46 38.37 1ncu s ILE 2 CO -0.00 0.18 0.89 0.25 0.00 0.00 0.00 174.94 176.26 1ncu h LEU 3 N 7.59 0.00 -7.44 2.97 6.46 -1.40 -3.48 115.31 120.02 1ncu h LEU 3 Ca -0.35 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.29 1ncu h LEU 3 Cb 1.16 0.00 -0.21 0.00 -0.73 0.00 0.00 40.66 40.88 1ncu h LEU 3 CO 0.77 0.65 -0.25 -0.89 -0.62 0.00 0.00 178.44 178.09 1ncu s THR 4 N -2.87 0.04 0.43 1.05 2.01 -0.90 -4.90 115.64 110.50 1ncu s THR 4 Ca -0.02 -0.31 0.07 0.00 0.31 0.00 0.00 61.69 61.74 1ncu s THR 4 Cb 0.08 -0.61 -0.02 0.00 0.01 0.00 0.00 72.50 71.97 1ncu s THR 4 CO 0.81 -0.17 0.36 -1.59 -0.69 0.00 0.00 174.62 173.33 1ncu s LYS 5 N -0.88 2.46 0.80 4.92 -2.85 -1.26 -0.27 119.74 122.65 1ncu s LYS 5 Ca -0.10 -1.63 -0.11 0.00 -1.00 0.00 0.00 55.97 53.14 1ncu s LYS 5 Cb -0.04 -2.30 0.07 0.00 -2.06 0.00 0.00 37.83 33.50 1ncu s LYS 5 CO 0.03 -0.23 1.09 -1.25 0.10 0.00 0.00 175.35 175.09 1ncu s PRO 6 N -4.12 2.04 0.00 1.78 0.04 -1.17 -4.43 135.00 129.14 1ncu s PRO 6 Ca 0.46 0.91 0.22 0.00 0.04 0.00 0.00 61.00 62.64 1ncu s PRO 6 Cb -0.02 -1.89 0.85 0.00 0.04 0.00 0.00 34.50 33.48 1ncu s PRO 6 CO 0.27 -1.72 1.61 2.89 0.04 0.00 0.00 177.00 180.08 1ncu n ARG 7 N -3.54 1.67 -1.01 4.56 1.85 -1.26 -4.89 116.66 114.04 1ncu n ARG 7 Ca 0.08 -1.00 0.12 0.00 -1.00 0.00 0.00 57.85 56.05 1ncu n ARG 7 Cb 0.54 -1.41 -0.04 0.00 -1.05 0.00 0.00 32.46 30.51 1ncu n ARG 7 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1ncu n SER 8 N 0.22 -5.40 -3.88 2.89 7.64 -1.26 -5.01 113.62 108.82 1ncu n SER 8 Ca 0.17 0.51 0.05 0.00 1.01 0.00 0.00 58.87 60.61 1ncu n SER 8 Cb 0.32 -3.24 0.01 0.00 -1.01 0.00 0.00 64.21 60.29 1ncu n SER 8 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1ncu s MET 9 N -2.52 0.00 -0.17 1.43 1.75 -1.09 -5.01 119.30 113.68 1ncu s MET 9 Ca 0.00 -0.00 -0.12 0.00 -1.25 0.00 0.00 55.69 54.32 1ncu s MET 9 Cb 0.00 0.00 0.05 0.00 2.84 0.00 0.00 34.83 37.72 1ncu s MET 9 CO 0.00 -0.00 0.43 0.99 -0.65 0.00 0.00 175.02 175.79 1ncu s THR 10 N -2.00 -0.01 0.13 10.11 2.01 -1.26 -2.96 115.64 121.66 1ncu s THR 10 Ca 0.27 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.31 1ncu s THR 10 Cb 0.03 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.91 1ncu s THR 10 CO -0.04 0.02 0.18 1.33 -0.69 0.00 0.00 174.62 175.42 1ncu n VAL 11 N 3.70 0.00 1.09 3.82 0.24 -0.58 -4.86 118.33 121.75 1ncu n VAL 11 Ca -0.19 -0.66 0.12 0.00 -2.04 0.00 0.00 64.34 61.57 1ncu n VAL 11 Cb 0.56 0.40 0.16 0.00 -1.47 0.00 0.00 33.84 33.50 1ncu n VAL 11 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1ncu n TYR 12 N -0.21 0.00 0.00 6.34 4.02 -1.26 0.17 117.16 126.22 1ncu n TYR 12 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1ncu n TYR 12 Cb 0.22 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 1ncu n TYR 12 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1ncu n GLU 13 N -0.67 0.00 -0.84 -0.72 0.28 -1.20 -4.13 120.64 113.36 1ncu n GLU 13 Ca 0.09 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.93 1ncu n GLU 13 Cb 0.39 0.00 0.12 0.00 1.43 0.00 0.00 31.44 33.38 1ncu n GLU 13 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ncu n GLY 14 N 0.00 3.72 0.17 -1.84 0.00 -1.26 -4.15 105.19 101.84 1ncu n GLY 14 Ca 0.00 -0.76 0.14 0.00 0.00 0.00 0.00 46.02 45.40 1ncu n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ncu n GLU 15 N -0.62 0.74 0.00 1.61 -0.58 -1.26 -4.30 120.64 116.23 1ncu n GLU 15 Ca 0.41 -0.34 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1ncu n GLU 15 Cb 1.29 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.67 1ncu n GLU 15 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1ncu n SER 16 N -0.83 -0.07 0.00 1.62 3.41 -1.26 -4.99 113.62 111.49 1ncu n SER 16 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1ncu n SER 16 Cb 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1ncu n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ncu n ALA 17 N -3.00 0.00 -2.71 7.33 0.00 -1.26 -4.95 120.51 115.92 1ncu n ALA 17 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1ncu n ALA 17 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1ncu n ALA 17 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1ncu s ARG 18 N 2.41 2.77 0.17 0.00 3.03 -1.26 -3.40 118.95 122.67 1ncu s ARG 18 Ca 0.00 -1.18 0.04 0.00 2.03 0.00 0.00 55.73 56.62 1ncu s ARG 18 Cb 0.00 -2.47 -0.05 0.00 -1.03 0.00 0.00 34.95 31.40 1ncu s ARG 18 CO 0.00 0.31 -0.07 -0.06 -1.13 0.00 0.00 175.30 174.35 1ncu s PHE 19 N -2.21 1.36 -0.17 5.89 0.08 0.89 -4.84 117.98 118.99 1ncu s PHE 19 Ca 0.35 -0.80 -0.08 0.00 0.12 0.00 0.00 56.93 56.51 1ncu s PHE 19 Cb -0.07 -0.72 0.07 0.00 -0.57 0.00 0.00 43.02 41.72 1ncu s PHE 19 CO 0.24 0.05 0.38 0.45 -0.10 0.00 0.00 175.22 176.25 1ncu s SER 20 N -3.21 -0.34 -0.19 1.36 0.15 -1.26 -0.95 113.70 109.25 1ncu s SER 20 Ca 0.20 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.70 1ncu s SER 20 Cb 0.03 0.87 0.02 0.00 -1.71 0.00 0.00 66.02 65.23 1ncu s SER 20 CO 0.03 -0.20 -0.18 0.00 1.20 0.00 0.00 173.24 174.09 1ncu s ASP 22 N 1.31 6.64 -0.14 0.00 1.01 0.62 -1.66 116.67 124.46 1ncu s ASP 22 Ca 0.05 0.98 -0.10 0.00 0.71 0.00 0.00 52.55 54.19 1ncu s ASP 22 Cb -0.13 -2.25 0.04 0.00 1.01 0.00 0.00 42.92 41.59 1ncu s ASP 22 CO -0.11 -0.11 0.35 0.42 0.21 0.00 0.00 175.17 175.93 1ncu s THR 23 N -1.87 -0.02 0.10 -1.27 -4.23 -0.04 -0.99 115.64 107.33 1ncu s THR 23 Ca 0.49 0.06 0.06 0.00 -1.18 0.00 0.00 61.69 61.11 1ncu s THR 23 Cb -0.11 -0.51 -0.04 0.00 1.34 0.00 0.00 72.50 73.18 1ncu s THR 23 CO 0.21 0.02 -0.04 -1.81 -0.54 0.00 0.00 174.62 172.46 1ncu s ASP 24 N 0.76 4.76 0.00 3.99 1.01 -0.63 -4.33 116.67 122.23 1ncu s ASP 24 Ca -0.05 -0.28 0.00 0.00 0.71 0.00 0.00 52.55 52.93 1ncu s ASP 24 Cb -0.06 -1.04 0.00 0.00 1.01 0.00 0.00 42.92 42.83 1ncu s ASP 24 CO -0.05 0.17 0.00 0.61 0.21 0.00 0.00 175.17 176.10 1ncu n GLY 25 N 0.55 -1.30 3.56 0.21 0.00 -1.26 -2.49 105.19 104.45 1ncu n GLY 25 Ca -0.12 -0.92 -0.01 0.00 0.00 0.00 0.00 46.02 44.97 1ncu n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ncu s GLU 26 N -0.62 0.40 0.00 1.61 2.12 -1.22 -4.57 118.70 116.43 1ncu s GLU 26 Ca 0.00 0.84 0.00 0.00 0.36 0.00 0.00 54.97 56.17 1ncu s GLU 26 Cb 0.00 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.70 1ncu s GLU 26 CO 0.00 -0.11 0.00 -0.35 -0.54 0.00 0.00 175.26 174.26 1ncu n PRO 27 N 4.43 -0.83 -1.41 4.30 -0.04 -1.26 -4.68 135.00 135.51 1ncu n PRO 27 Ca -0.15 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.84 1ncu n PRO 27 Cb 0.55 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.98 1ncu n PRO 27 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ncu n VAL 28 N -2.30 1.90 -2.39 0.52 0.31 -1.26 -4.78 118.33 110.31 1ncu n VAL 28 Ca 0.00 -0.50 -0.24 0.00 -0.01 0.00 0.00 64.34 63.59 1ncu n VAL 28 Cb 0.00 -0.10 0.09 0.00 -0.91 0.00 0.00 33.84 32.92 1ncu n VAL 28 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1ncu s PRO 29 N -1.06 1.92 0.40 5.55 0.04 -1.26 -4.76 135.00 135.83 1ncu s PRO 29 Ca 0.63 -0.68 0.02 0.00 0.04 0.00 0.00 61.00 61.01 1ncu s PRO 29 Cb -0.88 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 1ncu s PRO 29 CO 0.57 -1.33 0.06 -2.37 0.04 0.00 0.00 177.00 173.97 1ncu n THR 30 N -2.86 0.00 -3.87 1.26 5.66 -0.75 -4.87 114.28 108.85 1ncu n THR 30 Ca 0.11 -2.09 -0.11 0.00 -3.05 0.00 0.00 64.05 58.91 1ncu n THR 30 Cb 0.60 0.57 -0.12 0.00 -1.55 0.00 0.00 70.33 69.83 1ncu n THR 30 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1ncu s VAL 31 N -2.74 0.03 -0.21 1.08 0.11 -1.26 -3.69 120.40 113.73 1ncu s VAL 31 Ca 0.09 -0.28 -0.05 0.00 -2.93 0.00 0.00 61.98 58.80 1ncu s VAL 31 Cb 0.00 -0.20 0.07 0.00 -1.53 0.00 0.00 36.38 34.73 1ncu s VAL 31 CO 0.06 -0.16 0.10 -0.89 -3.33 0.00 0.00 175.10 170.89 1ncu s THR 32 N -0.48 -0.08 -0.45 5.04 2.01 -1.15 -4.98 115.64 115.55 1ncu s THR 32 Ca -0.05 -0.36 -0.23 0.00 0.31 0.00 0.00 61.69 61.35 1ncu s THR 32 Cb -0.03 -0.71 0.03 0.00 0.01 0.00 0.00 72.50 71.79 1ncu s THR 32 CO 0.00 -0.43 0.81 0.26 -0.69 0.00 0.00 174.62 174.57 1ncu s TRP 33 N 2.12 2.99 0.17 4.92 0.52 -1.26 -0.32 118.94 128.08 1ncu s TRP 33 Ca 0.04 0.22 -0.17 0.00 0.02 0.00 0.00 56.10 56.20 1ncu s TRP 33 Cb -0.16 -3.70 0.03 0.00 -1.15 0.00 0.00 33.47 28.49 1ncu s TRP 33 CO -0.18 -1.00 0.49 -0.48 0.02 0.00 0.00 176.95 175.80 1ncu s LEU 34 N 3.36 0.13 0.00 2.99 2.34 0.31 -2.54 118.68 125.27 1ncu s LEU 34 Ca 0.31 -0.38 0.00 0.00 0.06 0.00 0.00 54.13 54.12 1ncu s LEU 34 Cb -0.12 2.07 0.00 0.00 -0.56 0.00 0.00 46.19 47.59 1ncu s LEU 34 CO 0.23 -0.97 0.00 -1.14 -1.06 0.00 0.00 176.35 173.41 1ncu n ARG 35 N -0.30 0.00 0.00 1.48 3.00 -1.26 -2.07 116.66 117.50 1ncu n ARG 35 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.72 1ncu n ARG 35 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.09 1ncu n ARG 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1ncu n LYS 36 N -2.04 0.00 0.10 -0.14 0.00 -1.26 -4.96 118.16 109.86 1ncu n LYS 36 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.18 1ncu n LYS 36 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1ncu n LYS 36 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1ncu h GLY 37 N 0.00 -0.65 0.00 3.14 0.00 -1.88 -3.48 103.07 100.21 1ncu h GLY 37 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1ncu h GLY 37 CO 0.00 -0.25 0.00 -0.18 0.00 0.00 0.00 176.54 176.11 1ncu n GLN 38 N -5.43 0.00 -0.20 4.80 7.27 -1.26 -5.00 117.38 117.56 1ncu n GLN 38 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.01 1ncu n GLN 38 Cb 0.34 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.99 1ncu n GLN 38 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 1ncu n VAL 39 N 0.00 0.00 0.00 1.69 0.24 -1.26 -4.30 118.33 114.70 1ncu n VAL 39 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ncu n VAL 39 Cb 0.00 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 1ncu n VAL 39 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ncu n LEU 40 N 0.00 0.00 -1.57 1.34 4.32 -1.05 -4.18 117.00 115.86 1ncu n LEU 40 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.96 1ncu n LEU 40 Cb 0.56 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 1ncu n LEU 40 CO 0.00 0.00 -0.16 -1.54 -1.22 0.00 0.00 177.39 174.47 1ncu n SER 41 N 6.96 -2.26 -2.53 -1.43 3.41 -1.26 -1.03 113.62 115.48 1ncu n SER 41 Ca 0.00 0.10 -0.11 0.00 -0.26 0.00 0.00 58.87 58.60 1ncu n SER 41 Cb 0.00 -0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 63.36 1ncu n SER 41 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ncu n THR 42 N 0.59 -0.08 -0.21 6.66 -2.24 -1.26 -4.71 114.28 113.03 1ncu n THR 42 Ca -0.01 -0.04 -0.01 0.00 -2.27 0.00 0.00 64.05 61.72 1ncu n THR 42 Cb 0.20 -0.18 0.20 0.00 -2.10 0.00 0.00 70.33 68.45 1ncu n THR 42 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1ncu h SER 43 N -0.10 0.88 0.00 3.42 0.02 -1.29 -3.45 113.55 113.02 1ncu h SER 43 Ca -0.17 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1ncu h SER 43 Cb 0.38 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1ncu h SER 43 CO 0.23 0.72 0.00 0.00 -1.14 0.00 0.00 176.83 176.64 1ncu n ALA 44 N -2.43 0.00 0.00 3.77 0.00 -1.26 -4.96 120.51 115.62 1ncu n ALA 44 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1ncu n ALA 44 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1ncu n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ncu n ARG 45 N 0.00 4.36 -3.13 0.00 1.74 -1.26 -4.99 116.66 113.38 1ncu n ARG 45 Ca 0.00 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 1ncu n ARG 45 Cb 0.00 -0.67 0.04 0.00 -1.02 0.00 0.00 32.46 30.81 1ncu n ARG 45 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1ncu s HIS 46 N -1.33 1.77 -0.30 -1.55 0.09 -1.26 -2.80 115.29 109.91 1ncu s HIS 46 Ca 0.00 -0.66 0.01 0.00 -0.00 0.00 0.00 55.06 54.41 1ncu s HIS 46 Cb 0.00 -2.21 0.15 0.00 -0.00 0.00 0.00 32.58 30.52 1ncu s HIS 46 CO 0.00 -0.90 0.37 -1.14 -0.00 0.00 0.00 174.74 173.07 1ncu s GLN 47 N -4.54 0.40 0.34 1.40 2.00 -1.01 -4.05 119.66 114.20 1ncu s GLN 47 Ca 0.57 -0.03 0.07 0.00 -2.00 0.00 0.00 55.36 53.98 1ncu s GLN 47 Cb -0.06 -0.44 -0.03 0.00 0.80 0.00 0.00 33.01 33.28 1ncu s GLN 47 CO 0.36 -1.05 0.29 0.54 -0.50 0.00 0.00 175.29 174.93 1ncu s VAL 48 N 2.41 3.50 0.13 1.34 0.11 -1.26 -2.02 120.40 124.60 1ncu s VAL 48 Ca 0.10 -1.37 -0.14 0.00 -2.93 0.00 0.00 61.98 57.63 1ncu s VAL 48 Cb -0.13 -3.18 0.03 0.00 -1.53 0.00 0.00 36.38 31.57 1ncu s VAL 48 CO -0.29 -0.17 0.36 0.28 -3.33 0.00 0.00 175.10 171.95 1ncu s THR 49 N -2.31 0.08 -0.11 5.04 -1.32 -0.46 -4.76 115.64 111.79 1ncu s THR 49 Ca 0.41 -0.75 -0.14 0.00 -1.21 0.00 0.00 61.69 59.99 1ncu s THR 49 Cb -0.06 -1.27 0.04 0.00 -1.51 0.00 0.00 72.50 69.70 1ncu s THR 49 CO 0.27 -0.36 0.38 -0.89 -2.21 0.00 0.00 174.62 171.80 1ncu s THR 50 N -3.83 0.01 0.00 5.08 2.01 -1.26 -1.90 115.64 115.75 1ncu s THR 50 Ca 0.05 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1ncu s THR 50 Cb 0.02 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.96 1ncu s THR 50 CO -0.10 -0.06 0.00 1.07 -0.69 0.00 0.00 174.62 174.83 1ncu n THR 51 N 2.43 0.00 0.00 -0.82 5.66 -0.80 -5.01 114.28 115.74 1ncu n THR 51 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1ncu n THR 51 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 1ncu n THR 51 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1ncu n LYS 52 N 0.00 0.00 -0.28 1.09 4.76 -1.26 -4.39 118.16 118.08 1ncu n LYS 52 Ca 0.00 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.52 1ncu n LYS 52 Cb 0.00 -0.21 0.18 0.00 -1.84 0.00 0.00 35.03 33.16 1ncu n LYS 52 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1ncu n TYR 53 N 0.00 0.32 -4.35 2.13 4.01 -1.26 -4.45 117.16 113.57 1ncu n TYR 53 Ca 0.00 -1.06 -0.18 0.00 -0.16 0.00 0.00 57.90 56.49 1ncu n TYR 53 Cb 0.00 -0.23 -0.15 0.00 -0.31 0.00 0.00 39.34 38.66 1ncu n TYR 53 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1ncu s LYS 54 N -2.93 0.71 0.45 -0.72 -2.85 -1.26 -0.86 119.74 112.28 1ncu s LYS 54 Ca 0.36 -0.34 0.05 0.00 -1.00 0.00 0.00 55.97 55.04 1ncu s LYS 54 Cb 0.31 -0.68 -0.05 0.00 -2.06 0.00 0.00 37.83 35.35 1ncu s LYS 54 CO 0.03 0.19 0.04 0.45 0.10 0.00 0.00 175.35 176.16 1ncu s SER 55 N -0.27 4.06 -0.16 0.03 0.15 -0.66 -1.90 113.70 114.95 1ncu s SER 55 Ca 0.03 -1.43 -0.11 0.00 0.70 0.00 0.00 55.95 55.14 1ncu s SER 55 Cb -0.04 -0.05 0.05 0.00 -1.71 0.00 0.00 66.02 64.27 1ncu s SER 55 CO -0.00 -0.63 0.40 0.42 1.20 0.00 0.00 173.24 174.63 1ncu s THR 56 N -2.76 -0.02 -0.13 6.45 -4.23 -0.80 -1.54 115.64 112.62 1ncu s THR 56 Ca 0.25 0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.84 1ncu s THR 56 Cb 0.06 -0.58 0.01 0.00 1.34 0.00 0.00 72.50 73.33 1ncu s THR 56 CO 0.13 0.03 -0.17 0.12 -0.54 0.00 0.00 174.62 174.18 1ncu s PHE 57 N 0.97 2.25 -0.03 3.99 5.36 -0.13 -1.36 117.98 129.03 1ncu s PHE 57 Ca -0.06 -1.13 0.04 0.00 -0.96 0.00 0.00 56.93 54.82 1ncu s PHE 57 Cb -0.06 -1.59 -0.01 0.00 -0.34 0.00 0.00 43.02 41.02 1ncu s PHE 57 CO -0.08 -0.56 -0.16 -1.83 -1.46 0.00 0.00 175.22 171.13 1ncu s GLU 58 N 1.01 1.51 -0.13 10.12 4.04 -0.86 -0.08 118.70 134.31 1ncu s GLU 58 Ca -0.05 -0.56 0.01 0.00 0.04 0.00 0.00 54.97 54.41 1ncu s GLU 58 Cb -0.15 -1.37 -0.01 0.00 0.02 0.00 0.00 34.13 32.63 1ncu s GLU 58 CO -0.03 0.27 -0.17 0.42 -1.84 0.00 0.00 175.26 173.91 1ncu s ILE 59 N -0.11 2.62 0.00 1.83 1.01 -1.22 -2.41 121.20 122.92 1ncu s ILE 59 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1ncu s ILE 59 Cb -0.09 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.30 1ncu s ILE 59 CO 0.01 0.53 0.38 -1.20 0.00 0.00 0.00 174.94 174.66 1ncu n SER 60 N 3.71 0.00 0.00 3.58 7.64 -1.26 -4.20 113.62 123.09 1ncu n SER 60 Ca -0.19 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.55 1ncu n SER 60 Cb 0.52 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1ncu n SER 60 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ncu n SER 61 N 0.00 0.20 -4.51 6.43 2.88 -1.15 -4.51 113.62 112.97 1ncu n SER 61 Ca 0.00 -0.53 -0.50 0.00 -1.33 0.00 0.00 58.87 56.51 1ncu n SER 61 Cb 0.53 0.36 -0.04 0.00 -0.75 0.00 0.00 64.21 64.31 1ncu n SER 61 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1ncu n VAL 62 N -0.36 1.31 0.00 2.46 3.14 -1.12 -4.85 118.33 118.91 1ncu n VAL 62 Ca 0.00 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 1ncu n VAL 62 Cb 0.04 -0.44 0.00 0.00 -1.06 0.00 0.00 33.84 32.38 1ncu n VAL 62 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ncu n GLN 63 N 1.28 0.00 -2.09 1.45 1.13 -1.26 -4.17 117.38 113.72 1ncu n GLN 63 Ca 0.16 0.18 -0.02 0.00 -1.94 0.00 0.00 57.00 55.38 1ncu n GLN 63 Cb 0.23 -0.74 0.01 0.00 0.11 0.00 0.00 30.24 29.85 1ncu n GLN 63 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ncu n ALA 64 N -1.04 -1.51 -2.69 -1.58 0.00 -1.26 -4.88 120.51 107.55 1ncu n ALA 64 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 53.44 53.11 1ncu n ALA 64 Cb 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 19.45 18.74 1ncu n ALA 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ncu n SER 65 N -0.38 -1.83 0.00 0.00 3.41 -1.26 -5.08 113.62 108.47 1ncu n SER 65 Ca -0.12 -1.33 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 1ncu n SER 65 Cb 0.60 0.93 0.00 0.00 -0.26 0.00 0.00 64.21 65.48 1ncu n SER 65 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ncu n ASP 66 N 2.63 0.00 0.00 4.04 9.92 -1.26 -5.18 116.55 126.70 1ncu n ASP 66 Ca 0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.39 1ncu n ASP 66 Cb 0.63 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 1ncu n ASP 66 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1ncu n GLU 67 N -1.14 -0.74 -0.10 -1.24 2.13 -1.26 -4.82 120.64 113.47 1ncu n GLU 67 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 1ncu n GLU 67 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 1ncu n GLU 67 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ncu n GLY 68 N -0.55 -0.64 3.73 8.31 0.00 -1.25 -3.71 105.19 111.08 1ncu n GLY 68 Ca 0.00 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1ncu n GLY 68 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ncu s ASN 69 N -5.66 6.19 0.10 1.61 -0.87 -1.26 0.30 114.94 115.35 1ncu s ASN 69 Ca -0.19 0.24 -0.02 0.00 -1.57 0.00 0.00 52.86 51.32 1ncu s ASN 69 Cb 0.07 -2.08 -0.04 0.00 -0.02 0.00 0.00 41.25 39.18 1ncu s ASN 69 CO 0.65 0.19 0.04 -0.31 -2.57 0.00 0.00 177.10 175.10 1ncu s TYR 70 N 0.28 0.70 0.10 2.20 2.02 -0.54 -4.67 117.35 117.43 1ncu s TYR 70 Ca 0.08 -1.14 -0.00 0.00 -0.37 0.00 0.00 57.07 55.64 1ncu s TYR 70 Cb -0.11 -0.42 0.00 0.00 -0.40 0.00 0.00 41.96 41.03 1ncu s TYR 70 CO -0.02 -0.48 0.13 0.43 -1.57 0.00 0.00 175.55 174.04 1ncu n SER 71 N -0.03 -0.36 -3.37 2.29 7.64 -0.88 -2.03 113.62 116.89 1ncu n SER 71 Ca -0.09 -1.52 -0.12 0.00 1.01 0.00 0.00 58.87 58.15 1ncu n SER 71 Cb 0.63 0.68 -0.08 0.00 -1.01 0.00 0.00 64.21 64.42 1ncu n SER 71 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ncu s VAL 72 N -2.52 -0.53 -0.63 0.44 0.11 -0.89 -0.53 120.40 115.84 1ncu s VAL 72 Ca 0.08 -0.22 -0.22 0.00 -2.93 0.00 0.00 61.98 58.69 1ncu s VAL 72 Cb -0.00 -0.88 0.07 0.00 -1.53 0.00 0.00 36.38 34.05 1ncu s VAL 72 CO 0.06 -0.25 0.90 0.68 -3.33 0.00 0.00 175.10 173.16 1ncu s VAL 73 N 2.48 4.45 -0.22 2.04 -7.23 0.57 -1.03 120.40 121.45 1ncu s VAL 73 Ca 0.10 -0.44 -0.22 0.00 -1.81 0.00 0.00 61.98 59.61 1ncu s VAL 73 Cb -0.14 -4.62 -0.02 0.00 0.56 0.00 0.00 36.38 32.16 1ncu s VAL 73 CO -0.22 -1.34 0.68 -0.69 -0.31 0.00 0.00 175.10 173.21 1ncu s VAL 74 N 3.73 4.97 0.33 1.32 1.01 0.14 -2.95 120.40 128.96 1ncu s VAL 74 Ca 0.20 1.28 0.03 0.00 0.00 0.00 0.00 61.98 63.49 1ncu s VAL 74 Cb -0.18 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1ncu s VAL 74 CO 0.10 0.05 0.08 -0.70 0.00 0.00 0.00 175.10 174.63 1ncu s GLU 75 N 2.22 1.68 0.00 2.72 2.12 -1.24 -1.52 118.70 124.68 1ncu s GLU 75 Ca 0.30 -1.95 0.00 0.00 0.36 0.00 0.00 54.97 53.68 1ncu s GLU 75 Cb -0.16 -0.74 0.00 0.00 0.26 0.00 0.00 34.13 33.49 1ncu s GLU 75 CO 0.10 -0.26 0.00 0.27 -0.54 0.00 0.00 175.26 174.83 1ncu n ASN 76 N -0.78 0.00 -0.16 -1.70 6.94 -0.43 -1.81 115.26 117.32 1ncu n ASN 76 Ca -0.03 -0.50 0.25 0.00 -0.02 0.00 0.00 54.58 54.28 1ncu n ASN 76 Cb 0.66 0.00 0.39 0.00 -2.36 0.00 0.00 39.78 38.47 1ncu n ASN 76 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1ncu n SER 77 N -0.58 0.00 0.00 0.53 3.41 -1.26 -3.44 113.62 112.29 1ncu n SER 77 Ca 0.00 0.73 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 1ncu n SER 77 Cb 0.00 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1ncu n SER 77 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1ncu n GLU 78 N -3.16 0.00 -4.24 4.33 0.00 -1.26 -5.10 120.64 111.21 1ncu n GLU 78 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 57.08 1ncu n GLU 78 Cb 1.48 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 32.82 1ncu n GLU 78 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1ncu s GLY 79 N 0.00 1.77 -0.43 -1.84 0.00 -1.22 -4.67 107.32 100.93 1ncu s GLY 79 Ca 0.00 -1.31 0.06 0.00 0.00 0.00 0.00 44.72 43.46 1ncu s GLY 79 CO 0.00 -1.31 0.49 0.58 0.00 0.00 0.00 173.10 172.86 1ncu n LYS 80 N 0.47 0.42 -3.67 2.90 -0.00 -1.26 -1.32 118.16 115.70 1ncu n LYS 80 Ca -0.13 -2.89 -0.23 0.00 -0.00 0.00 0.00 58.31 55.06 1ncu n LYS 80 Cb 0.53 -1.50 -0.02 0.00 -0.00 0.00 0.00 35.03 34.04 1ncu n LYS 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1ncu s GLN 81 N -0.09 2.38 0.21 -1.58 0.74 -0.57 -4.94 119.66 115.81 1ncu s GLN 81 Ca 0.33 -1.75 -0.02 0.00 0.05 0.00 0.00 55.36 53.97 1ncu s GLN 81 Cb 0.08 -2.27 0.01 0.00 1.10 0.00 0.00 33.01 31.93 1ncu s GLN 81 CO -0.16 -0.41 0.32 -0.85 -0.55 0.00 0.00 175.29 173.63 1ncu n GLU 82 N -1.68 0.46 -3.50 1.67 -0.00 -1.26 0.27 120.64 116.60 1ncu n GLU 82 Ca 0.02 -1.60 -0.20 0.00 -0.00 0.00 0.00 57.16 55.38 1ncu n GLU 82 Cb 0.63 1.60 -0.13 0.00 -0.00 0.00 0.00 31.44 33.54 1ncu n GLU 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ncu s ALA 83 N -2.18 -0.15 0.06 -1.84 0.00 -0.20 -4.89 121.76 112.56 1ncu s ALA 83 Ca 0.16 0.06 -0.20 0.00 0.00 0.00 0.00 51.96 51.98 1ncu s ALA 83 Cb -0.01 -1.33 -0.06 0.00 0.00 0.00 0.00 23.12 21.72 1ncu s ALA 83 CO 0.11 -1.27 0.57 -1.21 0.00 0.00 0.00 175.76 173.97 1ncu s GLU 84 N 2.29 4.23 0.07 0.00 0.41 -1.26 -2.10 118.70 122.34 1ncu s GLU 84 Ca 0.07 0.74 -0.02 0.00 -0.41 0.00 0.00 54.97 55.34 1ncu s GLU 84 Cb -0.16 -3.26 0.01 0.00 -1.78 0.00 0.00 34.13 28.94 1ncu s GLU 84 CO -0.15 0.58 0.13 1.97 -0.49 0.00 0.00 175.26 177.30 1ncu n PHE 85 N 1.93 -1.04 -3.71 1.61 1.16 -0.86 -4.99 117.46 111.56 1ncu n PHE 85 Ca -0.10 -0.37 -0.15 0.00 -1.87 0.00 0.00 57.45 54.97 1ncu n PHE 85 Cb 0.51 0.15 -0.15 0.00 -1.61 0.00 0.00 39.48 38.38 1ncu n PHE 85 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1ncu s THR 86 N -2.73 -0.15 -0.30 1.97 -4.23 -1.26 -1.47 115.64 107.47 1ncu s THR 86 Ca 0.04 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 1ncu s THR 86 Cb -0.01 -0.29 0.07 0.00 1.34 0.00 0.00 72.50 73.61 1ncu s THR 86 CO 0.03 0.10 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.44 1ncu s LEU 87 N 1.67 4.00 0.41 4.79 1.02 0.88 -2.68 118.68 128.78 1ncu s LEU 87 Ca -0.04 -1.51 0.08 0.00 0.02 0.00 0.00 54.13 52.68 1ncu s LEU 87 Cb -0.12 -1.66 -0.02 0.00 0.02 0.00 0.00 46.19 44.42 1ncu s LEU 87 CO -0.06 -0.28 0.40 -0.89 0.02 0.00 0.00 176.35 175.53 1ncu s THR 88 N 1.14 2.79 -0.08 5.49 2.01 -1.15 -3.74 115.64 122.10 1ncu s THR 88 Ca -0.03 -1.29 0.23 0.00 0.31 0.00 0.00 61.69 60.91 1ncu s THR 88 Cb -0.20 -3.02 0.44 0.00 0.01 0.00 0.00 72.50 69.73 1ncu s THR 88 CO -0.04 -0.02 1.17 2.30 -0.69 0.00 0.00 174.62 177.34 1ncu n ILE 89 N -1.58 0.58 -3.57 1.82 -0.00 -0.92 -1.52 119.36 114.18 1ncu n ILE 89 Ca 0.04 -1.72 -0.08 0.00 -0.00 0.00 0.00 62.75 60.98 1ncu n ILE 89 Cb 0.61 0.84 -0.04 0.00 -0.00 0.00 0.00 39.64 41.05 1ncu n ILE 89 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.55 174.97 1ncu s GLN 90 N -1.19 0.56 0.00 6.28 2.00 0.45 -3.24 119.66 124.51 1ncu s GLN 90 Ca 0.34 -0.03 0.00 0.00 -2.00 0.00 0.00 55.36 53.66 1ncu s GLN 90 Cb 0.38 0.26 0.00 0.00 0.80 0.00 0.00 33.01 34.45 1ncu s GLN 90 CO -0.13 -0.21 0.17 1.17 -0.50 0.00 0.00 175.29 175.79