#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ncu n LYS -5 N 0.00 0.00 0.00 1.43 0.00 -1.26 -4.94 118.16 113.39 1ncu n LYS -5 Ca 0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 58.31 57.80 1ncu n LYS -5 Cb 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 35.03 34.72 1ncu n LYS -5 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1ncu n THR -4 N 0.00 0.00 0.00 0.58 5.66 -1.26 -5.07 114.28 114.19 1ncu n THR -4 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ncu n THR -4 Cb 0.58 -0.02 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 1ncu n THR -4 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1ncu n THR -3 N -1.63 0.00 -3.79 1.09 -1.04 -1.26 -5.17 114.28 102.48 1ncu n THR -3 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ncu n THR -3 Cb 0.00 -0.55 0.01 0.00 -1.82 0.00 0.00 70.33 67.97 1ncu n THR -3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ncu n LEU -2 N -1.24 0.00 0.00 -4.42 -0.00 -1.26 -4.79 117.00 105.29 1ncu n LEU -2 Ca 0.00 -0.62 0.00 0.00 -0.00 0.00 0.00 56.01 55.39 1ncu n LEU -2 Cb 0.00 1.43 0.00 0.00 -0.00 0.00 0.00 43.42 44.85 1ncu n LEU -2 CO 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 177.39 177.18 1ncu n ALA -1 N -1.74 0.00 -3.63 1.47 0.00 -1.26 -3.28 120.51 112.07 1ncu n ALA -1 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 1ncu n ALA -1 Cb 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.68 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 -4.00 -0.91 0.22 0.00 0.00 -1.26 -2.79 121.76 113.01 1ncu s ALA 0 Ca 0.00 1.32 -0.12 0.00 0.00 0.00 0.00 51.96 53.16 1ncu s ALA 0 Cb 0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 1ncu s ALA 0 CO 0.00 -0.23 0.42 -0.98 0.00 0.00 0.00 175.76 174.97 1ncu s ARG 1 N 1.17 1.41 -0.22 0.00 1.70 -0.89 -4.17 118.95 117.94 1ncu s ARG 1 Ca -0.08 -1.18 -0.02 0.00 -0.47 0.00 0.00 55.73 53.98 1ncu s ARG 1 Cb -0.08 0.45 0.01 0.00 -0.57 0.00 0.00 34.95 34.76 1ncu s ARG 1 CO -0.10 -0.57 -0.08 0.42 -1.08 0.00 0.00 175.30 173.89 1ncu s ILE 2 N -3.99 2.89 -0.14 4.99 1.01 -1.26 -1.53 121.20 123.18 1ncu s ILE 2 Ca 0.20 -0.80 0.17 0.00 0.00 0.00 0.00 60.65 60.22 1ncu s ILE 2 Cb 0.01 -2.36 -0.10 0.00 0.01 0.00 0.00 42.46 40.01 1ncu s ILE 2 CO 0.05 0.36 0.89 0.17 0.00 0.00 0.00 174.94 176.41 1ncu h LEU 3 N 8.04 0.00 -7.46 2.97 -0.00 -1.50 -3.47 115.31 113.89 1ncu h LEU 3 Ca -0.39 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.31 1ncu h LEU 3 Cb 1.13 0.00 -0.27 0.00 -0.00 0.00 0.00 40.66 41.53 1ncu h LEU 3 CO 0.60 0.50 -0.46 -0.89 -0.00 0.00 0.00 178.44 178.18 1ncu s THR 4 N -2.98 -0.01 0.44 0.15 2.01 -0.78 -4.95 115.64 109.52 1ncu s THR 4 Ca -0.02 0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.09 1ncu s THR 4 Cb 0.09 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 1ncu s THR 4 CO 0.80 0.02 0.25 -1.59 -0.69 0.00 0.00 174.62 173.42 1ncu s LYS 5 N 0.45 2.29 0.25 4.92 0.00 -1.26 -0.15 119.74 126.23 1ncu s LYS 5 Ca -0.03 -1.84 -0.16 0.00 0.00 0.00 0.00 55.97 53.94 1ncu s LYS 5 Cb -0.04 -2.06 -0.08 0.00 0.00 0.00 0.00 37.83 35.64 1ncu s LYS 5 CO -0.02 -0.24 0.68 -1.25 0.00 0.00 0.00 175.35 174.52 1ncu s PRO 6 N -4.02 4.06 0.61 1.78 0.04 -1.24 -4.58 135.00 131.65 1ncu s PRO 6 Ca 0.39 0.66 -0.02 0.00 0.04 0.00 0.00 61.00 62.07 1ncu s PRO 6 Cb 0.01 -2.69 0.04 0.00 0.04 0.00 0.00 34.50 31.91 1ncu s PRO 6 CO 0.22 0.31 0.88 1.03 0.04 0.00 0.00 177.00 179.48 1ncu s ARG 7 N -2.46 2.42 0.50 4.56 0.52 -1.26 -4.75 118.95 118.49 1ncu s ARG 7 Ca 0.47 -0.53 -0.00 0.00 -0.52 0.00 0.00 55.73 55.15 1ncu s ARG 7 Cb -0.13 -2.35 0.10 0.00 0.52 0.00 0.00 34.95 33.09 1ncu s ARG 7 CO 0.19 -0.93 0.69 0.43 0.02 0.00 0.00 175.30 175.71 1ncu n SER 8 N -2.59 0.93 -3.56 0.23 7.64 -1.26 -4.76 113.62 110.24 1ncu n SER 8 Ca 0.08 -1.78 -0.01 0.00 1.01 0.00 0.00 58.87 58.16 1ncu n SER 8 Cb 0.60 -0.45 0.01 0.00 -1.01 0.00 0.00 64.21 63.36 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 -4.27 0.97 -0.21 1.43 1.75 -0.88 -4.95 119.30 113.13 1ncu s MET 9 Ca 0.46 -0.60 -0.05 0.00 -1.25 0.00 0.00 55.69 54.25 1ncu s MET 9 Cb -0.03 0.29 0.11 0.00 2.84 0.00 0.00 34.83 38.04 1ncu s MET 9 CO 0.30 -0.45 0.40 0.99 -0.65 0.00 0.00 175.02 175.62 1ncu s THR 10 N -2.39 -0.63 0.02 10.11 2.01 -1.26 -2.83 115.64 120.68 1ncu s THR 10 Ca 0.20 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.30 1ncu s THR 10 Cb -0.01 -0.71 -0.00 0.00 0.01 0.00 0.00 72.50 71.79 1ncu s THR 10 CO 0.02 0.01 0.01 1.33 -0.69 0.00 0.00 174.62 175.30 1ncu n VAL 11 N 5.38 0.00 -0.01 3.82 0.24 -0.74 -4.93 118.33 122.09 1ncu n VAL 11 Ca -0.07 -0.15 0.06 0.00 -2.04 0.00 0.00 64.34 62.14 1ncu n VAL 11 Cb 0.50 0.06 -0.15 0.00 -1.47 0.00 0.00 33.84 32.78 1ncu n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ncu n TYR 12 N -0.05 0.16 0.00 6.34 9.36 -1.26 0.16 117.16 131.87 1ncu n TYR 12 Ca -0.00 0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.27 1ncu n TYR 12 Cb 0.04 -0.68 0.00 0.00 -0.63 0.00 0.00 39.34 38.07 1ncu n TYR 12 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1ncu n GLU 13 N -2.44 0.00 -2.19 2.98 0.28 -1.26 -4.11 120.64 113.91 1ncu n GLU 13 Ca -0.10 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.52 1ncu n GLU 13 Cb 0.70 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.58 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 5.59 0.37 -1.84 0.00 -1.20 -4.77 105.19 103.34 1ncu n GLY 14 Ca 0.00 -2.37 -0.14 0.00 0.00 0.00 0.00 46.02 43.51 1ncu n GLY 14 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ncu h GLU 15 N 3.83 -0.82 0.00 1.61 4.22 -1.85 -3.43 114.58 118.15 1ncu h GLU 15 Ca 0.56 0.06 -0.09 0.00 0.08 0.00 0.00 59.36 59.97 1ncu h GLU 15 Cb 0.29 0.19 -0.10 0.00 0.50 0.00 0.00 28.75 29.63 1ncu h GLU 15 CO 1.27 -0.55 0.16 -1.13 -2.18 0.00 0.00 179.01 176.58 1ncu n SER 16 N -4.58 -1.14 -4.55 1.04 3.41 -1.26 -5.07 113.62 101.48 1ncu n SER 16 Ca -0.10 -1.69 -0.43 0.00 -0.26 0.00 0.00 58.87 56.39 1ncu n SER 16 Cb 0.36 1.06 -0.06 0.00 -0.26 0.00 0.00 64.21 65.30 1ncu n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ncu s ALA 17 N 0.03 3.36 -0.01 7.33 0.00 -1.26 -5.03 121.76 126.18 1ncu s ALA 17 Ca 0.11 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 51.18 1ncu s ALA 17 Cb 0.17 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 1ncu s ALA 17 CO -0.11 -1.69 -0.23 1.03 0.00 0.00 0.00 175.76 174.76 1ncu s ARG 18 N 3.02 2.15 0.06 0.00 1.81 -1.26 -2.07 118.95 122.65 1ncu s ARG 18 Ca 0.27 -0.91 0.01 0.00 -1.72 0.00 0.00 55.73 53.38 1ncu s ARG 18 Cb -0.13 -2.11 -0.03 0.00 -0.45 0.00 0.00 34.95 32.22 1ncu s ARG 18 CO 0.19 0.57 -0.05 -0.06 -0.68 0.00 0.00 175.30 175.27 1ncu s PHE 19 N -0.68 0.62 -0.18 -0.53 0.08 0.31 -4.89 117.98 112.71 1ncu s PHE 19 Ca 0.11 -0.84 -0.07 0.00 0.12 0.00 0.00 56.93 56.25 1ncu s PHE 19 Cb -0.10 -0.40 0.08 0.00 -0.57 0.00 0.00 43.02 42.03 1ncu s PHE 19 CO 0.00 -0.23 0.40 -1.54 -0.10 0.00 0.00 175.22 173.75 1ncu s SER 20 N -2.50 -0.22 -0.19 1.36 1.04 -1.26 -1.07 113.70 110.85 1ncu s SER 20 Ca 0.02 0.92 -0.01 0.00 0.48 0.00 0.00 55.95 57.36 1ncu s SER 20 Cb 0.01 1.16 0.01 0.00 0.10 0.00 0.00 66.02 67.30 1ncu s SER 20 CO -0.05 -0.23 -0.15 0.00 0.98 0.00 0.00 173.24 173.80 1ncu s ASP 22 N 1.31 6.51 -0.14 0.00 1.01 0.78 -1.31 116.67 124.84 1ncu s ASP 22 Ca 0.04 0.44 0.02 0.00 0.71 0.00 0.00 52.55 53.77 1ncu s ASP 22 Cb -0.14 -2.34 0.01 0.00 1.01 0.00 0.00 42.92 41.47 1ncu s ASP 22 CO -0.09 -0.50 -0.20 0.42 0.21 0.00 0.00 175.17 175.02 1ncu s THR 23 N 2.66 1.88 0.51 -1.27 -4.23 0.57 -1.15 115.64 114.60 1ncu s THR 23 Ca 0.26 -0.87 -0.04 0.00 -1.18 0.00 0.00 61.69 59.86 1ncu s THR 23 Cb -0.15 -1.69 -0.01 0.00 1.34 0.00 0.00 72.50 71.99 1ncu s THR 23 CO 0.12 0.52 0.79 -0.62 -0.54 0.00 0.00 174.62 174.88 1ncu s ASP 24 N 0.95 5.94 0.00 3.99 2.15 -0.58 -4.14 116.67 124.97 1ncu s ASP 24 Ca -0.05 0.69 0.00 0.00 0.43 0.00 0.00 52.55 53.62 1ncu s ASP 24 Cb -0.15 -1.90 0.00 0.00 -0.30 0.00 0.00 42.92 40.58 1ncu s ASP 24 CO -0.03 -0.76 0.00 0.61 -0.17 0.00 0.00 175.17 174.82 1ncu n GLY 25 N -2.31 2.96 2.86 2.66 0.00 -1.26 -2.10 105.19 108.01 1ncu n GLY 25 Ca 0.02 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.00 0.57 0.00 1.61 -6.30 -1.12 -4.05 118.70 107.41 1ncu s GLU 26 Ca 0.00 -0.03 0.00 0.00 -2.50 0.00 0.00 54.97 52.44 1ncu s GLU 26 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 34.13 33.48 1ncu s GLU 26 CO 0.00 -0.10 0.00 -0.35 0.02 0.00 0.00 175.26 174.83 1ncu n PRO 27 N 4.03 0.37 -1.54 4.30 -0.04 -1.26 -4.29 135.00 136.57 1ncu n PRO 27 Ca -0.26 0.00 -0.60 0.00 -0.04 0.00 0.00 63.50 62.60 1ncu n PRO 27 Cb 0.51 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.88 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 -1.10 0.00 -1.22 0.52 0.31 -1.26 -4.75 118.33 110.84 1ncu n VAL 28 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1ncu n VAL 28 Cb 0.00 -0.27 0.21 0.00 -0.91 0.00 0.00 33.84 32.86 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 1.64 -0.37 0.23 5.55 0.04 -1.24 -4.89 135.00 135.96 1ncu s PRO 29 Ca 0.93 0.10 0.01 0.00 0.04 0.00 0.00 61.00 62.08 1ncu s PRO 29 Cb -1.32 -1.68 -0.00 0.00 0.04 0.00 0.00 34.50 31.54 1ncu s PRO 29 CO 0.67 -3.18 0.04 -2.37 0.04 0.00 0.00 177.00 172.20 1ncu n THR 30 N -4.42 0.00 -3.81 1.26 5.66 -0.73 -4.85 114.28 107.38 1ncu n THR 30 Ca 0.10 -1.21 -0.12 0.00 -3.05 0.00 0.00 64.05 59.77 1ncu n THR 30 Cb 0.59 0.35 -0.09 0.00 -1.55 0.00 0.00 70.33 69.63 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 -2.15 0.07 -0.25 1.08 0.11 -1.26 -3.68 120.40 114.31 1ncu s VAL 31 Ca 0.06 -0.59 -0.02 0.00 -2.93 0.00 0.00 61.98 58.51 1ncu s VAL 31 Cb 0.00 -0.54 0.13 0.00 -1.53 0.00 0.00 36.38 34.45 1ncu s VAL 31 CO 0.04 -0.32 0.33 -0.89 -3.33 0.00 0.00 175.10 170.94 1ncu s THR 32 N -1.39 -0.51 -0.10 5.04 2.01 -1.16 -4.99 115.64 114.54 1ncu s THR 32 Ca -0.14 -0.21 -0.24 0.00 0.31 0.00 0.00 61.69 61.41 1ncu s THR 32 Cb -0.06 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 1ncu s THR 32 CO 0.03 -0.24 0.75 0.26 -0.69 0.00 0.00 174.62 174.73 1ncu s TRP 33 N 2.46 3.52 -0.20 4.92 0.52 -1.26 -0.71 118.94 128.19 1ncu s TRP 33 Ca 0.10 1.25 -0.17 0.00 0.02 0.00 0.00 56.10 57.31 1ncu s TRP 33 Cb -0.15 -2.88 0.06 0.00 -1.15 0.00 0.00 33.47 29.35 1ncu s TRP 33 CO -0.21 -0.03 0.53 -0.48 0.02 0.00 0.00 176.95 176.78 1ncu s LEU 34 N 1.28 -0.15 -0.47 2.99 2.34 -0.43 -0.81 118.68 123.43 1ncu s LEU 34 Ca 0.38 1.10 0.06 0.00 0.06 0.00 0.00 54.13 55.72 1ncu s LEU 34 Cb -0.17 1.82 0.27 0.00 -0.56 0.00 0.00 46.19 47.54 1ncu s LEU 34 CO 0.17 -0.19 0.99 -1.14 -1.06 0.00 0.00 176.35 175.11 1ncu n ARG 35 N 3.19 0.83 -1.53 1.48 0.00 -1.26 -3.30 116.66 116.07 1ncu n ARG 35 Ca -0.16 -1.75 -0.18 0.00 -0.00 0.00 0.00 57.85 55.76 1ncu n ARG 35 Cb 0.56 -1.26 -0.08 0.00 0.00 0.00 0.00 32.46 31.68 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 1.19 -1.44 -0.55 -0.14 4.81 -1.26 -4.79 118.16 115.99 1ncu n LYS 36 Ca 0.08 1.10 0.04 0.00 -0.87 0.00 0.00 58.31 58.65 1ncu n LYS 36 Cb 0.66 -5.45 0.22 0.00 0.02 0.00 0.00 35.03 30.48 1ncu n LYS 36 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ncu n GLY 37 N -0.31 4.48 3.10 3.14 0.00 -1.26 -5.00 105.19 109.33 1ncu n GLY 37 Ca -0.18 -1.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.53 1ncu n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ncu n GLN 38 N -0.86 -2.15 -2.62 1.61 0.00 -1.26 -4.28 117.38 107.82 1ncu n GLN 38 Ca 0.25 1.83 0.00 0.00 -0.00 0.00 0.00 57.00 59.08 1ncu n GLN 38 Cb 0.92 -4.47 0.00 0.00 0.00 0.00 0.00 30.24 26.69 1ncu n GLN 38 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1ncu n VAL 39 N -0.44 -1.02 -0.33 1.69 0.24 -1.26 -4.69 118.33 112.51 1ncu n VAL 39 Ca 0.03 0.09 0.30 0.00 -2.04 0.00 0.00 64.34 62.73 1ncu n VAL 39 Cb 0.54 -2.19 0.64 0.00 -1.47 0.00 0.00 33.84 31.37 1ncu n VAL 39 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1ncu h LEU 40 N 4.26 0.20 -5.24 1.34 4.07 -1.15 -3.36 115.31 115.43 1ncu h LEU 40 Ca 0.00 0.04 -0.25 0.00 0.08 0.00 0.00 57.88 57.76 1ncu h LEU 40 Cb 0.19 0.01 -0.08 0.00 1.08 0.00 0.00 40.66 41.86 1ncu h LEU 40 CO 0.00 0.02 1.31 -1.54 -1.08 0.00 0.00 178.44 177.16 1ncu n SER 41 N -4.40 -0.83 -3.10 -0.43 3.41 -1.26 -1.98 113.62 105.02 1ncu n SER 41 Ca 0.26 -0.30 -0.19 0.00 -0.26 0.00 0.00 58.87 58.38 1ncu n SER 41 Cb 1.11 -0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 64.64 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 3.76 -0.17 0.00 6.66 -2.24 -1.26 -4.80 114.28 116.23 1ncu n THR 42 Ca 0.44 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 1ncu n THR 42 Cb 0.08 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 1ncu n THR 42 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ncu n SER 43 N -0.92 0.00 0.00 3.42 7.64 -0.84 -4.58 113.62 118.34 1ncu n SER 43 Ca -0.02 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.56 1ncu n SER 43 Cb 0.26 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1ncu n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ncu n ALA 44 N -1.57 0.84 -1.89 -0.43 0.00 -1.26 -4.91 120.51 111.29 1ncu n ALA 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ncu n ALA 44 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ncu n ALA 44 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1ncu n ARG 45 N -0.59 0.00 -2.96 0.00 0.00 -1.26 -5.02 116.66 106.83 1ncu n ARG 45 Ca 0.00 -0.18 -0.20 0.00 -0.00 0.00 0.00 57.85 57.46 1ncu n ARG 45 Cb 0.00 -0.12 0.07 0.00 -0.00 0.00 0.00 32.46 32.42 1ncu n ARG 45 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1ncu s HIS 46 N 0.00 1.31 -0.42 2.89 3.76 -1.26 -2.48 115.29 119.09 1ncu s HIS 46 Ca 0.00 -0.68 0.05 0.00 -0.15 0.00 0.00 55.06 54.28 1ncu s HIS 46 Cb 0.00 -2.34 0.17 0.00 1.11 0.00 0.00 32.58 31.52 1ncu s HIS 46 CO 0.00 -1.32 0.48 -1.14 -0.85 0.00 0.00 174.74 171.91 1ncu s GLN 47 N -4.78 0.83 0.29 1.40 2.00 -0.81 -4.45 119.66 114.13 1ncu s GLN 47 Ca 0.63 -1.16 0.06 0.00 -2.00 0.00 0.00 55.36 52.89 1ncu s GLN 47 Cb -0.05 -0.65 -0.02 0.00 0.80 0.00 0.00 33.01 33.09 1ncu s GLN 47 CO 0.40 -1.28 0.37 0.54 -0.50 0.00 0.00 175.29 174.83 1ncu s VAL 48 N 0.99 4.53 0.15 1.34 0.11 -1.26 -1.79 120.40 124.47 1ncu s VAL 48 Ca 0.24 -1.09 -0.14 0.00 -2.93 0.00 0.00 61.98 58.06 1ncu s VAL 48 Cb -0.06 -3.56 0.02 0.00 -1.53 0.00 0.00 36.38 31.25 1ncu s VAL 48 CO -0.08 -0.25 0.37 0.28 -3.33 0.00 0.00 175.10 172.09 1ncu s THR 49 N -2.11 0.07 0.01 5.04 -1.32 -0.51 -4.86 115.64 111.95 1ncu s THR 49 Ca 0.39 -0.92 0.01 0.00 -1.21 0.00 0.00 61.69 59.95 1ncu s THR 49 Cb -0.09 -1.47 -0.01 0.00 -1.51 0.00 0.00 72.50 69.43 1ncu s THR 49 CO 0.29 -0.31 -0.04 0.42 -2.21 0.00 0.00 174.62 172.77 1ncu s THR 50 N -3.87 0.28 0.00 5.08 -4.23 -1.26 -2.04 115.64 109.59 1ncu s THR 50 Ca 0.08 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 1ncu s THR 50 Cb 0.02 -0.28 0.00 0.00 1.34 0.00 0.00 72.50 73.58 1ncu s THR 50 CO -0.06 -0.04 0.00 0.41 -0.54 0.00 0.00 174.62 174.39 1ncu n THR 51 N 2.68 0.00 0.00 3.99 -1.04 -0.58 -5.00 114.28 114.33 1ncu n THR 51 Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1ncu n THR 51 Cb 0.58 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 1ncu n THR 51 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1ncu n LYS 52 N 0.00 0.00 -0.54 -2.82 5.02 -1.26 -4.55 118.16 114.00 1ncu n LYS 52 Ca 0.00 0.40 0.07 0.00 -2.02 0.00 0.00 58.31 56.76 1ncu n LYS 52 Cb 0.00 -1.04 0.17 0.00 -0.02 0.00 0.00 35.03 34.14 1ncu n LYS 52 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ncu n TYR 53 N -1.70 0.00 -3.70 2.13 4.02 -1.26 -3.61 117.16 113.03 1ncu n TYR 53 Ca 0.00 -1.26 -0.11 0.00 -0.01 0.00 0.00 57.90 56.52 1ncu n TYR 53 Cb 0.00 -0.21 -0.11 0.00 -0.02 0.00 0.00 39.34 39.00 1ncu n TYR 53 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 1ncu s LYS 54 N -2.81 0.39 0.45 -0.72 -2.85 -1.26 -0.32 119.74 112.62 1ncu s LYS 54 Ca 0.35 0.76 0.07 0.00 -1.00 0.00 0.00 55.97 56.15 1ncu s LYS 54 Cb 0.34 -0.01 -0.01 0.00 -2.06 0.00 0.00 37.83 36.09 1ncu s LYS 54 CO -0.05 -0.15 0.35 0.45 0.10 0.00 0.00 175.35 176.05 1ncu s SER 55 N 1.30 4.80 -0.16 0.03 0.15 -0.43 -1.53 113.70 117.87 1ncu s SER 55 Ca -0.09 -0.95 -0.10 0.00 0.70 0.00 0.00 55.95 55.51 1ncu s SER 55 Cb -0.08 -0.27 0.05 0.00 -1.71 0.00 0.00 66.02 64.01 1ncu s SER 55 CO -0.12 -0.76 0.39 0.42 1.20 0.00 0.00 173.24 174.37 1ncu s THR 56 N -2.58 -0.02 -0.18 6.45 -4.23 -0.87 -1.40 115.64 112.81 1ncu s THR 56 Ca 0.43 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 1ncu s THR 56 Cb -0.01 -0.57 0.01 0.00 1.34 0.00 0.00 72.50 73.27 1ncu s THR 56 CO 0.25 0.03 -0.16 0.12 -0.54 0.00 0.00 174.62 174.32 1ncu s PHE 57 N 1.05 2.80 0.03 3.99 5.36 -0.23 -1.43 117.98 129.55 1ncu s PHE 57 Ca -0.07 -1.31 0.07 0.00 -0.96 0.00 0.00 56.93 54.66 1ncu s PHE 57 Cb -0.07 -1.93 -0.02 0.00 -0.34 0.00 0.00 43.02 40.65 1ncu s PHE 57 CO -0.09 -0.64 -0.21 -1.83 -1.46 0.00 0.00 175.22 170.99 1ncu s GLU 58 N 1.13 1.47 0.07 10.12 -1.05 -0.74 -0.53 118.70 129.18 1ncu s GLU 58 Ca 0.01 -0.91 0.10 0.00 -0.15 0.00 0.00 54.97 54.02 1ncu s GLU 58 Cb -0.14 -1.56 -0.03 0.00 -0.44 0.00 0.00 34.13 31.96 1ncu s GLU 58 CO -0.06 0.40 -0.26 0.42 0.95 0.00 0.00 175.26 176.71 1ncu s ILE 59 N -0.73 2.13 0.17 1.83 1.01 -0.88 -1.93 121.20 122.79 1ncu s ILE 59 Ca 0.08 -1.49 0.00 0.00 0.00 0.00 0.00 60.65 59.24 1ncu s ILE 59 Cb -0.09 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.54 1ncu s ILE 59 CO 0.01 0.26 0.00 -1.54 0.00 0.00 0.00 174.94 173.67 1ncu n SER 60 N 1.51 -1.04 0.00 3.58 3.41 -1.26 -4.16 113.62 115.66 1ncu n SER 60 Ca -0.17 0.31 0.13 0.00 -0.26 0.00 0.00 58.87 58.87 1ncu n SER 60 Cb 0.52 1.17 0.76 0.00 -0.26 0.00 0.00 64.21 66.40 1ncu n SER 60 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ncu n SER 61 N -2.90 0.00 -3.90 4.04 2.88 -1.08 -3.24 113.62 109.41 1ncu n SER 61 Ca 0.00 -0.74 -0.44 0.00 -1.33 0.00 0.00 58.87 56.36 1ncu n SER 61 Cb 0.00 -0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 63.40 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 -1.03 1.54 0.00 2.46 3.14 -1.04 -4.81 118.33 118.60 1ncu n VAL 62 Ca 0.19 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1ncu n VAL 62 Cb 0.10 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.88 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 0.94 0.00 0.00 1.45 3.00 -1.26 -4.47 117.38 117.04 1ncu n GLN 63 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1ncu n GLN 63 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.44 1ncu n GLN 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ncu n ALA 64 N -3.00 0.42 -2.16 -1.58 0.00 -1.26 -4.86 120.51 108.06 1ncu n ALA 64 Ca 0.00 -0.20 -0.31 0.00 0.00 0.00 0.00 53.44 52.92 1ncu n ALA 64 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1ncu n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ncu n SER 65 N 0.00 5.86 0.00 0.00 2.88 -1.26 -4.56 113.62 116.54 1ncu n SER 65 Ca 0.00 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 53.77 1ncu n SER 65 Cb 0.35 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 1ncu n SER 65 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1ncu n ASP 66 N -0.56 3.70 -0.07 -3.46 5.75 -1.26 -4.99 116.55 115.65 1ncu n ASP 66 Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.24 1ncu n ASP 66 Cb 0.56 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 1ncu n ASP 66 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1ncu n GLU 67 N -2.19 0.00 -0.05 0.11 2.13 -1.26 -4.63 120.64 114.74 1ncu n GLU 67 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 1ncu n GLU 67 Cb 0.43 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.05 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 0.00 -0.54 3.76 8.31 0.00 -1.22 -3.74 105.19 111.76 1ncu n GLY 68 Ca 0.00 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 1ncu n GLY 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ncu s ASN 69 N -4.33 6.70 -0.07 1.61 3.84 -1.26 0.33 114.94 121.76 1ncu s ASN 69 Ca -0.05 0.83 -0.12 0.00 0.21 0.00 0.00 52.86 53.72 1ncu s ASN 69 Cb 0.03 -2.26 0.02 0.00 -0.55 0.00 0.00 41.25 38.50 1ncu s ASN 69 CO 0.45 0.14 0.30 -0.31 -2.79 0.00 0.00 177.10 174.88 1ncu s TYR 70 N -0.03 -0.24 0.12 0.43 2.02 -0.57 -4.74 117.35 114.34 1ncu s TYR 70 Ca 0.24 0.52 0.02 0.00 -0.37 0.00 0.00 57.07 57.48 1ncu s TYR 70 Cb -0.15 0.09 -0.01 0.00 -0.40 0.00 0.00 41.96 41.49 1ncu s TYR 70 CO 0.10 -0.27 0.08 -1.13 -1.57 0.00 0.00 175.55 172.77 1ncu n SER 71 N 2.12 0.18 -3.66 2.29 3.41 -1.21 -1.96 113.62 114.79 1ncu n SER 71 Ca -0.17 -1.76 -0.10 0.00 -0.26 0.00 0.00 58.87 56.57 1ncu n SER 71 Cb 0.57 0.51 -0.11 0.00 -0.26 0.00 0.00 64.21 64.92 1ncu n SER 71 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ncu s VAL 72 N -2.34 -0.52 -0.48 -3.33 0.11 -0.84 -1.32 120.40 111.70 1ncu s VAL 72 Ca 0.12 0.21 -0.12 0.00 -2.93 0.00 0.00 61.98 59.25 1ncu s VAL 72 Cb 0.01 -0.57 0.10 0.00 -1.53 0.00 0.00 36.38 34.38 1ncu s VAL 72 CO 0.08 0.09 0.37 0.68 -3.33 0.00 0.00 175.10 172.99 1ncu s VAL 73 N 2.45 4.66 0.19 2.04 -7.23 0.11 -0.49 120.40 122.12 1ncu s VAL 73 Ca -0.01 -1.48 -0.14 0.00 -1.81 0.00 0.00 61.98 58.54 1ncu s VAL 73 Cb -0.12 -3.94 -0.07 0.00 0.56 0.00 0.00 36.38 32.81 1ncu s VAL 73 CO -0.11 -0.69 0.59 0.54 -0.31 0.00 0.00 175.10 175.12 1ncu s VAL 74 N 1.49 4.81 0.25 1.32 0.11 0.15 -3.00 120.40 125.53 1ncu s VAL 74 Ca 0.04 0.83 -0.14 0.00 -2.93 0.00 0.00 61.98 59.78 1ncu s VAL 74 Cb -0.26 -3.72 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 1ncu s VAL 74 CO 0.02 0.13 0.52 -0.70 -3.33 0.00 0.00 175.10 171.74 1ncu s GLU 75 N -2.24 1.56 0.00 1.54 2.12 -1.24 -1.02 118.70 119.42 1ncu s GLU 75 Ca 0.42 -1.18 0.00 0.00 0.36 0.00 0.00 54.97 54.58 1ncu s GLU 75 Cb -0.14 0.50 0.00 0.00 0.26 0.00 0.00 34.13 34.75 1ncu s GLU 75 CO 0.20 -0.66 0.00 0.27 -0.54 0.00 0.00 175.26 174.52 1ncu n ASN 76 N -0.39 0.00 -0.49 -1.70 6.94 -0.31 -1.78 115.26 117.52 1ncu n ASN 76 Ca -0.03 -0.19 0.37 0.00 -0.02 0.00 0.00 54.58 54.71 1ncu n ASN 76 Cb 0.61 0.00 0.57 0.00 -2.36 0.00 0.00 39.78 38.61 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 -0.24 0.00 0.00 0.53 3.41 -1.26 -3.45 113.62 112.61 1ncu n SER 77 Ca 0.00 0.70 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 1ncu n SER 77 Cb 0.00 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 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 -3.33 0.00 -5.00 4.33 0.28 -1.26 -5.06 120.64 110.60 1ncu n GLU 78 Ca 0.31 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.99 1ncu n GLU 78 Cb 1.42 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 34.14 1ncu n GLU 78 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1ncu s GLY 79 N 0.00 1.44 -0.38 -1.84 0.00 -1.22 -4.69 107.32 100.63 1ncu s GLY 79 Ca 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 43.77 1ncu s GLY 79 CO 0.00 -0.47 0.15 1.25 0.00 0.00 0.00 173.10 174.03 1ncu s LYS 80 N -0.04 1.17 0.45 2.90 2.36 -1.26 -1.17 119.74 124.15 1ncu s LYS 80 Ca -0.05 -1.68 0.05 0.00 -2.55 0.00 0.00 55.97 51.74 1ncu s LYS 80 Cb -0.14 -2.46 -0.05 0.00 -1.05 0.00 0.00 37.83 34.12 1ncu s LYS 80 CO 0.04 -1.05 0.01 -1.14 1.55 0.00 0.00 175.35 174.76 1ncu s GLN 81 N 0.89 2.06 0.00 4.03 0.74 -0.19 -4.98 119.66 122.21 1ncu s GLN 81 Ca 0.13 -2.23 0.00 0.00 0.05 0.00 0.00 55.36 53.31 1ncu s GLN 81 Cb -0.21 -1.59 0.00 0.00 1.10 0.00 0.00 33.01 32.31 1ncu s GLN 81 CO -0.11 -0.18 0.00 -0.85 -0.55 0.00 0.00 175.29 173.60 1ncu n GLU 82 N -1.09 0.00 -3.71 1.67 0.28 -1.26 0.33 120.64 116.85 1ncu n GLU 82 Ca -0.11 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.79 1ncu n GLU 82 Cb 0.67 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.50 1ncu n GLU 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ncu s ALA 83 N -1.42 -0.83 -0.01 -1.84 0.00 0.35 -4.89 121.76 113.12 1ncu s ALA 83 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.75 1ncu s ALA 83 Cb 0.00 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.91 1ncu s ALA 83 CO 0.00 -0.71 -0.02 -1.21 0.00 0.00 0.00 175.76 173.82 1ncu s GLU 84 N -3.85 0.22 0.15 0.00 0.41 -1.26 -1.98 118.70 112.38 1ncu s GLU 84 Ca 0.07 -0.03 -0.04 0.00 -0.41 0.00 0.00 54.97 54.56 1ncu s GLU 84 Cb 0.01 -0.27 0.02 0.00 -1.78 0.00 0.00 34.13 32.10 1ncu s GLU 84 CO -0.07 -0.00 0.27 1.97 -0.49 0.00 0.00 175.26 176.94 1ncu n PHE 85 N 3.36 -1.32 -3.69 1.61 1.16 -0.83 -4.94 117.46 112.82 1ncu n PHE 85 Ca -0.17 -0.77 -0.11 0.00 -1.87 0.00 0.00 57.45 54.54 1ncu n PHE 85 Cb 0.56 0.31 -0.11 0.00 -1.61 0.00 0.00 39.48 38.63 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 -2.64 -0.24 -0.21 1.97 -4.23 -1.26 -1.51 115.64 107.53 1ncu s THR 86 Ca 0.08 0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 60.73 1ncu s THR 86 Cb -0.01 -0.56 0.02 0.00 1.34 0.00 0.00 72.50 73.28 1ncu s THR 86 CO 0.06 0.06 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.31 1ncu s LEU 87 N 1.83 2.64 0.45 4.79 2.01 1.01 -2.06 118.68 129.35 1ncu s LEU 87 Ca -0.06 -0.67 0.08 0.00 0.01 0.00 0.00 54.13 53.49 1ncu s LEU 87 Cb -0.10 -1.59 0.01 0.00 0.01 0.00 0.00 46.19 44.52 1ncu s LEU 87 CO -0.11 -0.04 0.53 -0.89 1.01 0.00 0.00 176.35 176.84 1ncu s THR 88 N 1.34 2.68 -0.25 5.49 2.01 -1.13 -3.39 115.64 122.39 1ncu s THR 88 Ca 0.03 -1.15 0.21 0.00 0.31 0.00 0.00 61.69 61.10 1ncu s THR 88 Cb -0.15 -2.82 0.50 0.00 0.01 0.00 0.00 72.50 70.04 1ncu s THR 88 CO -0.08 0.00 1.12 2.30 -0.69 0.00 0.00 174.62 177.27 1ncu n ILE 89 N -1.80 1.33 0.00 1.82 -0.00 -1.08 -1.79 119.36 117.85 1ncu n ILE 89 Ca 0.07 -2.95 0.00 0.00 -0.00 0.00 0.00 62.75 59.87 1ncu n ILE 89 Cb 0.61 1.03 0.00 0.00 -0.00 0.00 0.00 39.64 41.27 1ncu n ILE 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1ncu n GLN 90 N -0.55 0.00 0.00 6.28 1.13 0.43 -4.02 117.38 120.65 1ncu n GLN 90 Ca 0.11 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 1ncu n GLN 90 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.19 1ncu n GLN 90 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79