#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 0.23 -1.46 0.00 -1.26 -4.94 118.16 110.73 1ncu n LYS -5 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 58.31 58.38 1ncu n LYS -5 Cb 0.00 0.00 0.56 0.00 0.00 0.00 0.00 35.03 35.59 1ncu n LYS -5 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1ncu h THR -4 N 0.00 1.02 0.00 3.15 1.35 -2.06 -3.40 112.91 112.97 1ncu h THR -4 Ca 0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1ncu h THR -4 Cb 0.00 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1ncu h THR -4 CO 0.00 0.15 0.00 0.35 -0.25 0.00 0.00 175.52 175.77 1ncu n THR -3 N -4.22 0.00 -3.75 6.82 -2.24 -1.26 -5.16 114.28 104.46 1ncu n THR -3 Ca -0.02 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1ncu n THR -3 Cb 0.23 -0.32 0.01 0.00 -2.10 0.00 0.00 70.33 68.14 1ncu n THR -3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ncu n LEU -2 N -0.25 0.00 0.00 3.22 -0.00 -1.26 -5.04 117.00 113.67 1ncu n LEU -2 Ca 0.00 -0.43 0.00 0.00 -0.00 0.00 0.00 56.01 55.58 1ncu n LEU -2 Cb 0.00 1.03 0.00 0.00 -0.00 0.00 0.00 43.42 44.45 1ncu n LEU -2 CO 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 177.39 177.25 1ncu n ALA -1 N -2.08 0.00 -3.54 1.47 0.00 -1.26 -3.66 120.51 111.44 1ncu n ALA -1 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 1ncu n ALA -1 Cb 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.61 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 -1.12 0.17 0.00 0.00 -1.26 -3.04 121.76 112.51 1ncu s ALA 0 Ca 0.00 1.27 -0.02 0.00 0.00 0.00 0.00 51.96 53.22 1ncu s ALA 0 Cb 0.00 -1.44 0.01 0.00 0.00 0.00 0.00 23.12 21.68 1ncu s ALA 0 CO 0.00 -0.93 0.26 2.89 0.00 0.00 0.00 175.76 177.97 1ncu n ARG 1 N 5.38 0.37 -4.40 0.00 1.85 -0.89 -2.50 116.66 116.46 1ncu n ARG 1 Ca -0.07 -1.32 -0.28 0.00 -1.00 0.00 0.00 57.85 55.19 1ncu n ARG 1 Cb 0.50 1.31 -0.12 0.00 -1.05 0.00 0.00 32.46 33.09 1ncu n ARG 1 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1ncu s ILE 2 N -2.61 2.28 0.00 8.89 1.01 -1.26 -2.35 121.20 127.15 1ncu s ILE 2 Ca 0.13 -1.89 0.00 0.00 0.00 0.00 0.00 60.65 58.89 1ncu s ILE 2 Cb -0.01 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.42 1ncu s ILE 2 CO 0.09 -0.02 0.00 0.18 0.00 0.00 0.00 174.94 175.19 1ncu n LEU 3 N 0.59 2.86 -3.34 2.97 7.99 -0.67 -4.89 117.00 122.52 1ncu n LEU 3 Ca -0.15 0.00 -0.26 0.00 -0.01 0.00 0.00 56.01 55.59 1ncu n LEU 3 Cb 0.55 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.77 1ncu n LEU 3 CO 0.26 0.48 -0.19 0.41 -1.51 0.00 0.00 177.39 176.84 1ncu n THR 4 N -2.51 0.19 -0.72 -5.08 -1.04 -1.18 -4.97 114.28 98.96 1ncu n THR 4 Ca 0.00 -4.29 -0.29 0.00 -2.04 0.00 0.00 64.05 57.43 1ncu n THR 4 Cb 0.50 -1.96 0.12 0.00 -1.82 0.00 0.00 70.33 67.16 1ncu n THR 4 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1ncu n LYS 5 N 1.54 -1.30 -0.08 -2.82 2.85 -1.26 -2.07 118.16 115.02 1ncu n LYS 5 Ca 0.25 -0.38 0.00 0.00 -1.05 0.00 0.00 58.31 57.13 1ncu n LYS 5 Cb 0.48 -1.43 0.00 0.00 -0.65 0.00 0.00 35.03 33.42 1ncu n LYS 5 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1ncu n PRO 6 N -0.66 0.66 -3.96 -1.58 -0.04 -1.25 -4.60 135.00 123.57 1ncu n PRO 6 Ca 0.01 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.29 1ncu n PRO 6 Cb 0.56 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.96 1ncu n PRO 6 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1ncu n ARG 7 N -0.55 0.45 -3.50 0.54 1.85 -1.26 -4.93 116.66 109.27 1ncu n ARG 7 Ca 0.00 -2.88 -0.22 0.00 -1.00 0.00 0.00 57.85 53.75 1ncu n ARG 7 Cb 0.00 2.05 -0.00 0.00 -1.05 0.00 0.00 32.46 33.46 1ncu n ARG 7 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1ncu s SER 8 N -3.05 5.00 0.21 2.89 0.01 -1.26 -4.68 113.70 112.82 1ncu s SER 8 Ca 0.28 -0.87 -0.08 0.00 1.31 0.00 0.00 55.95 56.59 1ncu s SER 8 Cb 0.01 -0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.12 1ncu s SER 8 CO 0.20 -0.91 0.44 0.80 0.41 0.00 0.00 173.24 174.18 1ncu n MET 9 N -1.76 0.60 -3.69 12.44 1.56 -0.94 -4.97 117.12 120.36 1ncu n MET 9 Ca 0.05 -1.19 -0.10 0.00 -0.27 0.00 0.00 57.70 56.19 1ncu n MET 9 Cb 0.62 1.49 -0.11 0.00 2.15 0.00 0.00 33.22 37.37 1ncu n MET 9 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1ncu s THR 10 N -2.49 -0.18 0.00 1.12 2.01 -1.26 -3.06 115.64 111.77 1ncu s THR 10 Ca 0.09 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.21 1ncu s THR 10 Cb -0.03 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.87 1ncu s THR 10 CO 0.06 0.05 0.00 1.33 -0.69 0.00 0.00 174.62 175.37 1ncu n VAL 11 N 4.56 0.00 -0.07 3.82 0.24 -0.66 -4.96 118.33 121.25 1ncu n VAL 11 Ca -0.19 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.05 1ncu n VAL 11 Cb 0.54 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.76 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 0.00 0.00 0.00 6.34 9.36 -1.26 -1.40 117.16 130.20 1ncu n TYR 12 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1ncu n TYR 12 Cb 0.00 -0.83 0.00 0.00 -0.63 0.00 0.00 39.34 37.88 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 -2.59 0.00 -1.92 2.98 0.28 -1.26 -3.49 120.64 114.64 1ncu n GLU 13 Ca -0.25 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.36 1ncu n GLU 13 Cb 0.99 0.00 0.04 0.00 1.43 0.00 0.00 31.44 33.90 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 5.54 0.27 -1.84 0.00 -1.25 -4.74 105.19 103.17 1ncu n GLY 14 Ca 0.00 -2.48 -0.12 0.00 0.00 0.00 0.00 46.02 43.42 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 2.97 -0.38 0.00 1.61 4.22 -1.87 -3.34 114.58 117.79 1ncu h GLU 15 Ca 0.57 0.03 -0.11 0.00 0.08 0.00 0.00 59.36 59.93 1ncu h GLU 15 Cb 0.05 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.29 1ncu h GLU 15 CO 1.43 -0.26 0.08 -1.13 -2.18 0.00 0.00 179.01 176.95 1ncu n SER 16 N -5.36 -1.24 -4.24 1.04 3.41 -1.26 -5.00 113.62 100.97 1ncu n SER 16 Ca -0.05 -1.87 -0.43 0.00 -0.26 0.00 0.00 58.87 56.25 1ncu n SER 16 Cb 0.28 1.14 0.00 0.00 -0.26 0.00 0.00 64.21 65.37 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 0.24 4.44 -2.30 7.33 0.00 -1.26 -4.98 120.51 123.98 1ncu n ALA 17 Ca -0.10 -4.26 -0.37 0.00 0.00 0.00 0.00 53.44 48.71 1ncu n ALA 17 Cb 0.73 -3.05 -0.06 0.00 0.00 0.00 0.00 19.45 17.08 1ncu n ALA 17 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ncu s ARG 18 N 1.21 4.09 0.08 0.00 0.52 -1.26 -2.31 118.95 121.29 1ncu s ARG 18 Ca 0.42 0.62 -0.05 0.00 -0.52 0.00 0.00 55.73 56.20 1ncu s ARG 18 Cb 0.02 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.42 1ncu s ARG 18 CO 0.00 0.54 0.09 -0.06 0.02 0.00 0.00 175.30 175.90 1ncu s PHE 19 N -1.32 0.41 -0.20 -0.53 0.08 0.14 -4.93 117.98 111.63 1ncu s PHE 19 Ca 0.34 -0.87 -0.07 0.00 0.12 0.00 0.00 56.93 56.45 1ncu s PHE 19 Cb -0.17 -0.24 0.09 0.00 -0.57 0.00 0.00 43.02 42.13 1ncu s PHE 19 CO 0.19 -0.49 0.43 -1.54 -0.10 0.00 0.00 175.22 173.71 1ncu s SER 20 N -2.92 -0.31 -0.16 1.36 1.04 -1.26 -1.00 113.70 110.45 1ncu s SER 20 Ca 0.09 1.01 0.01 0.00 0.48 0.00 0.00 55.95 57.54 1ncu s SER 20 Cb 0.06 1.32 0.01 0.00 0.10 0.00 0.00 66.02 67.51 1ncu s SER 20 CO -0.08 -0.23 -0.18 0.00 0.98 0.00 0.00 173.24 173.73 1ncu s ASP 22 N 0.93 6.98 -0.04 0.00 1.01 -0.88 -1.64 116.67 123.04 1ncu s ASP 22 Ca -0.04 1.16 -0.00 0.00 0.71 0.00 0.00 52.55 54.38 1ncu s ASP 22 Cb -0.15 -2.34 0.03 0.00 1.01 0.00 0.00 42.92 41.46 1ncu s ASP 22 CO -0.03 0.20 0.02 0.42 0.21 0.00 0.00 175.17 175.98 1ncu s THR 23 N -0.65 0.11 0.18 -1.27 -4.23 -0.36 -1.67 115.64 107.76 1ncu s THR 23 Ca 0.29 0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 60.87 1ncu s THR 23 Cb -0.18 -0.25 -0.07 0.00 1.34 0.00 0.00 72.50 73.34 1ncu s THR 23 CO 0.17 0.16 0.52 -1.81 -0.54 0.00 0.00 174.62 173.12 1ncu s ASP 24 N 1.37 6.66 -0.30 3.99 1.01 -0.99 -4.34 116.67 124.07 1ncu s ASP 24 Ca -0.05 0.91 -0.36 0.00 0.71 0.00 0.00 52.55 53.77 1ncu s ASP 24 Cb -0.13 -2.22 0.17 0.00 1.01 0.00 0.00 42.92 41.75 1ncu s ASP 24 CO -0.03 0.01 1.40 -0.83 0.21 0.00 0.00 175.17 175.93 1ncu s GLY 25 N -2.14 -0.09 -0.06 0.21 0.00 -1.26 -2.10 107.32 101.87 1ncu s GLY 25 Ca 0.43 2.25 0.06 0.00 0.00 0.00 0.00 44.72 47.46 1ncu s GLY 25 CO 0.21 0.79 -0.24 -1.83 0.00 0.00 0.00 173.10 172.03 1ncu s GLU 26 N -1.69 2.56 0.08 2.90 4.04 -1.17 -3.54 118.70 121.88 1ncu s GLU 26 Ca 0.11 -0.89 -0.13 0.00 0.04 0.00 0.00 54.97 54.11 1ncu s GLU 26 Cb -0.01 -2.19 -0.22 0.00 0.02 0.00 0.00 34.13 31.73 1ncu s GLU 26 CO -0.04 0.40 1.20 -1.00 -1.84 0.00 0.00 175.26 173.98 1ncu h PRO 27 N 6.02 0.69 -3.57 -4.83 0.13 -1.93 -3.34 132.00 125.17 1ncu h PRO 27 Ca -0.33 -0.74 -0.32 0.00 -0.87 0.00 0.00 66.00 63.74 1ncu h PRO 27 Cb 1.17 0.21 -0.35 0.00 0.13 0.00 0.00 31.00 32.17 1ncu h PRO 27 CO 0.48 1.31 -0.74 0.08 -0.23 0.00 0.00 178.00 178.90 1ncu s VAL 28 N -3.33 0.02 0.85 1.56 1.01 -1.23 -5.00 120.40 114.27 1ncu s VAL 28 Ca -0.10 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 1ncu s VAL 28 Cb 0.07 -0.16 0.10 0.00 0.00 0.00 0.00 36.38 36.40 1ncu s VAL 28 CO 0.92 0.12 1.12 -2.16 0.00 0.00 0.00 175.10 175.10 1ncu s PRO 29 N 1.18 1.66 0.35 2.72 0.04 -1.26 -4.84 135.00 134.85 1ncu s PRO 29 Ca -0.08 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.42 1ncu s PRO 29 Cb -0.13 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 1ncu s PRO 29 CO -0.03 -1.88 0.00 -2.37 0.04 0.00 0.00 177.00 172.77 1ncu n THR 30 N -3.57 0.00 -3.80 1.26 5.66 -0.75 -4.80 114.28 108.28 1ncu n THR 30 Ca 0.07 -1.65 -0.12 0.00 -3.05 0.00 0.00 64.05 59.30 1ncu n THR 30 Cb 0.58 0.33 -0.11 0.00 -1.55 0.00 0.00 70.33 69.59 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 -2.27 0.03 -0.22 1.08 0.11 -1.26 -3.68 120.40 114.19 1ncu s VAL 31 Ca 0.00 -0.23 -0.03 0.00 -2.93 0.00 0.00 61.98 58.79 1ncu s VAL 31 Cb 0.00 -0.41 0.10 0.00 -1.53 0.00 0.00 36.38 34.54 1ncu s VAL 31 CO 0.00 -0.13 0.23 -0.89 -3.33 0.00 0.00 175.10 170.98 1ncu s THR 32 N -0.44 -0.32 -0.38 5.04 2.01 -1.16 -4.98 115.64 115.41 1ncu s THR 32 Ca -0.05 -0.21 -0.23 0.00 0.31 0.00 0.00 61.69 61.50 1ncu s THR 32 Cb -0.04 -0.74 0.01 0.00 0.01 0.00 0.00 72.50 71.74 1ncu s THR 32 CO 0.01 -0.28 0.78 0.26 -0.69 0.00 0.00 174.62 174.71 1ncu s TRP 33 N 2.32 3.08 0.07 4.92 0.52 -1.26 -0.72 118.94 127.87 1ncu s TRP 33 Ca 0.07 0.46 -0.19 0.00 0.02 0.00 0.00 56.10 56.47 1ncu s TRP 33 Cb -0.15 -3.46 0.04 0.00 -1.15 0.00 0.00 33.47 28.74 1ncu s TRP 33 CO -0.17 -0.79 0.44 -0.48 0.02 0.00 0.00 176.95 175.97 1ncu s LEU 34 N 3.14 0.25 0.00 2.99 2.34 0.03 0.33 118.68 127.76 1ncu s LEU 34 Ca 0.31 -0.04 0.00 0.00 0.06 0.00 0.00 54.13 54.46 1ncu s LEU 34 Cb -0.13 1.90 0.00 0.00 -0.56 0.00 0.00 46.19 47.40 1ncu s LEU 34 CO 0.18 -0.74 0.00 -1.14 -1.06 0.00 0.00 176.35 173.59 1ncu n ARG 35 N 0.26 0.00 0.00 1.48 0.00 -1.26 -2.72 116.66 114.41 1ncu n ARG 35 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.67 1ncu n ARG 35 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.07 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 -1.78 0.00 -0.78 -0.14 4.81 -1.26 -4.99 118.16 114.03 1ncu n LYS 36 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 1ncu n LYS 36 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 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 0.00 3.20 3.04 3.14 0.00 -1.26 -4.77 105.19 108.53 1ncu n GLY 37 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.35 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 1.27 -1.40 -0.09 1.61 0.00 -1.26 -4.77 117.38 112.75 1ncu n GLN 38 Ca 0.20 1.55 0.01 0.00 -0.00 0.00 0.00 57.00 58.75 1ncu n GLN 38 Cb 0.59 -5.74 -0.00 0.00 0.00 0.00 0.00 30.24 25.09 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 -1.65 0.00 0.00 1.69 0.24 -1.26 -4.84 118.33 112.51 1ncu n VAL 39 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1ncu n VAL 39 Cb 0.50 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 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 0.10 -4.52 1.34 4.32 0.15 -4.83 117.00 113.56 1ncu n LEU 40 Ca 0.00 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.76 1ncu n LEU 40 Cb 0.04 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 41.69 1ncu n LEU 40 CO 0.00 0.02 1.83 -1.20 -1.22 0.00 0.00 177.39 176.81 1ncu n SER 41 N -1.19 0.18 -3.69 -1.43 7.64 -1.25 -3.24 113.62 110.64 1ncu n SER 41 Ca 0.00 -0.75 -0.22 0.00 1.01 0.00 0.00 58.87 58.91 1ncu n SER 41 Cb 0.21 -1.05 -0.06 0.00 -1.01 0.00 0.00 64.21 62.30 1ncu n SER 41 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ncu n THR 42 N 7.07 -0.54 -0.18 0.44 -2.24 -1.25 -4.80 114.28 112.79 1ncu n THR 42 Ca 0.58 -0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 62.00 1ncu n THR 42 Cb 0.26 -0.61 0.01 0.00 -2.10 0.00 0.00 70.33 67.89 1ncu n THR 42 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ncu h SER 43 N -0.82 0.79 0.00 3.42 4.64 -1.72 -3.46 113.55 116.40 1ncu h SER 43 Ca -0.44 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 1ncu h SER 43 Cb 0.94 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1ncu h SER 43 CO 0.50 0.82 0.00 0.00 -0.87 0.00 0.00 176.83 177.28 1ncu n ALA 44 N -2.39 0.00 -0.00 5.18 0.00 -1.26 -4.98 120.51 117.05 1ncu n ALA 44 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ncu n ALA 44 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 0.00 6.01 -4.53 0.00 1.85 -1.26 -4.98 116.66 113.75 1ncu n ARG 45 Ca 0.00 -0.05 -0.25 0.00 -1.00 0.00 0.00 57.85 56.55 1ncu n ARG 45 Cb 0.00 -0.53 -0.10 0.00 -1.05 0.00 0.00 32.46 30.78 1ncu n ARG 45 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 1ncu s HIS 46 N -0.87 2.02 -0.06 2.89 -3.43 -1.26 -1.76 115.29 112.82 1ncu s HIS 46 Ca 0.00 -0.97 -0.03 0.00 -0.80 0.00 0.00 55.06 53.27 1ncu s HIS 46 Cb 0.00 -1.39 0.04 0.00 -1.43 0.00 0.00 32.58 29.80 1ncu s HIS 46 CO 0.00 0.06 0.11 -1.14 -2.00 0.00 0.00 174.74 171.77 1ncu s GLN 47 N -3.82 -0.01 0.35 -0.38 -0.44 -1.04 -3.78 119.66 110.53 1ncu s GLN 47 Ca 0.30 0.45 0.08 0.00 -2.50 0.00 0.00 55.36 53.70 1ncu s GLN 47 Cb 0.07 -0.35 -0.05 0.00 -1.64 0.00 0.00 33.01 31.04 1ncu s GLN 47 CO 0.14 -0.29 0.12 0.54 0.50 0.00 0.00 175.29 176.30 1ncu s VAL 48 N 2.07 2.80 0.14 1.34 0.11 -1.26 -1.87 120.40 123.72 1ncu s VAL 48 Ca 0.02 -1.76 -0.13 0.00 -2.93 0.00 0.00 61.98 57.18 1ncu s VAL 48 Cb -0.12 -2.94 0.02 0.00 -1.53 0.00 0.00 36.38 31.81 1ncu s VAL 48 CO -0.05 -0.15 0.35 0.28 -3.33 0.00 0.00 175.10 172.20 1ncu s THR 49 N -2.48 0.08 -0.06 5.04 -1.32 -0.54 -4.77 115.64 111.59 1ncu s THR 49 Ca 0.38 -0.91 -0.15 0.00 -1.21 0.00 0.00 61.69 59.79 1ncu s THR 49 Cb -0.01 -1.41 0.03 0.00 -1.51 0.00 0.00 72.50 69.60 1ncu s THR 49 CO 0.22 -0.36 0.35 -0.89 -2.21 0.00 0.00 174.62 171.73 1ncu s THR 50 N -3.86 0.03 0.00 5.08 2.01 -1.26 -1.88 115.64 115.76 1ncu s THR 50 Ca 0.07 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.78 1ncu s THR 50 Cb 0.02 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.93 1ncu s THR 50 CO -0.08 -0.16 0.00 1.07 -0.69 0.00 0.00 174.62 174.76 1ncu n THR 51 N 1.79 0.00 0.00 -0.82 5.66 -0.75 -5.01 114.28 115.14 1ncu n THR 51 Ca -0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1ncu n THR 51 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 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 -0.21 1.09 5.02 -1.26 -4.44 118.16 118.36 1ncu n LYS 52 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 1ncu n LYS 52 Cb 0.00 -0.21 0.15 0.00 -0.02 0.00 0.00 35.03 34.95 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 0.00 0.46 -4.50 2.13 4.01 -1.26 -4.48 117.16 113.52 1ncu n TYR 53 Ca 0.00 -0.65 -0.23 0.00 -0.16 0.00 0.00 57.90 56.86 1ncu n TYR 53 Cb 0.00 -0.12 -0.14 0.00 -0.31 0.00 0.00 39.34 38.77 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 -1.69 1.17 0.44 -0.72 -2.85 -1.26 -1.22 119.74 113.61 1ncu s LYS 54 Ca 0.25 -0.85 0.04 0.00 -1.00 0.00 0.00 55.97 54.41 1ncu s LYS 54 Cb 0.18 -1.24 -0.05 0.00 -2.06 0.00 0.00 37.83 34.66 1ncu s LYS 54 CO 0.10 0.31 0.02 0.45 0.10 0.00 0.00 175.35 176.33 1ncu s SER 55 N -1.16 3.75 -0.15 0.03 0.15 -0.65 -1.81 113.70 113.85 1ncu s SER 55 Ca 0.05 -1.52 -0.12 0.00 0.70 0.00 0.00 55.95 55.06 1ncu s SER 55 Cb -0.08 0.09 0.04 0.00 -1.71 0.00 0.00 66.02 64.36 1ncu s SER 55 CO 0.02 -0.67 0.40 0.42 1.20 0.00 0.00 173.24 174.60 1ncu s THR 56 N -2.88 -0.01 -0.16 6.45 -4.23 -0.79 -1.42 115.64 112.61 1ncu s THR 56 Ca 0.22 0.03 0.02 0.00 -1.18 0.00 0.00 61.69 60.77 1ncu s THR 56 Cb 0.06 -0.56 0.02 0.00 1.34 0.00 0.00 72.50 73.35 1ncu s THR 56 CO 0.11 0.01 -0.20 0.12 -0.54 0.00 0.00 174.62 174.13 1ncu s PHE 57 N 0.55 2.61 -0.11 3.99 5.36 -0.17 -1.47 117.98 128.74 1ncu s PHE 57 Ca -0.03 -1.44 -0.00 0.00 -0.96 0.00 0.00 56.93 54.51 1ncu s PHE 57 Cb -0.04 -1.81 0.02 0.00 -0.34 0.00 0.00 43.02 40.85 1ncu s PHE 57 CO -0.03 -0.70 -0.08 -1.83 -1.46 0.00 0.00 175.22 171.12 1ncu s GLU 58 N 1.11 1.51 0.43 10.12 4.04 -0.78 0.29 118.70 135.41 1ncu s GLU 58 Ca -0.00 -0.26 -0.04 0.00 0.04 0.00 0.00 54.97 54.71 1ncu s GLU 58 Cb -0.14 -1.55 -0.04 0.00 0.02 0.00 0.00 34.13 32.43 1ncu s GLU 58 CO -0.08 -0.24 0.70 0.42 -1.84 0.00 0.00 175.26 174.22 1ncu s ILE 59 N 1.61 4.97 0.00 1.83 1.01 -0.98 -2.51 121.20 127.13 1ncu s ILE 59 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1ncu s ILE 59 Cb -0.13 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.49 1ncu s ILE 59 CO -0.07 -0.72 0.51 -1.20 0.00 0.00 0.00 174.94 173.46 1ncu n SER 60 N -2.02 0.00 0.00 3.58 7.64 -1.25 -4.06 113.62 117.51 1ncu n SER 60 Ca -0.01 -1.26 0.00 0.00 1.01 0.00 0.00 58.87 58.61 1ncu n SER 60 Cb 0.55 -0.05 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 -1.54 -3.01 0.00 0.00 175.04 170.49 1ncu n SER 61 N 0.00 0.00 -0.33 6.43 3.41 -1.17 -4.42 113.62 117.54 1ncu n SER 61 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 1ncu n SER 61 Cb 0.55 0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.59 1ncu n SER 61 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1ncu n VAL 62 N -1.48 0.00 -4.21 -3.33 3.14 -0.72 -3.83 118.33 107.89 1ncu n VAL 62 Ca 0.00 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.25 1ncu n VAL 62 Cb 0.00 -0.08 -0.05 0.00 -1.06 0.00 0.00 33.84 32.66 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 -1.10 0.40 -0.80 1.45 10.64 -1.26 -4.90 117.38 121.82 1ncu n GLN 63 Ca 0.00 -2.03 -0.16 0.00 -1.83 0.00 0.00 57.00 52.98 1ncu n GLN 63 Cb 0.10 1.47 0.11 0.00 -0.86 0.00 0.00 30.24 31.06 1ncu n GLN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ncu n ALA 64 N -1.69 4.56 -1.99 2.61 0.00 -1.26 -3.93 120.51 118.80 1ncu n ALA 64 Ca -0.08 -1.85 0.00 0.00 0.00 0.00 0.00 53.44 51.51 1ncu n ALA 64 Cb 0.37 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.48 0.00 -0.08 0.00 3.41 -1.26 -4.88 113.62 110.33 1ncu n SER 65 Ca 0.38 -1.42 0.03 0.00 -0.26 0.00 0.00 58.87 57.61 1ncu n SER 65 Cb 1.17 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 65.02 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 0.00 0.67 0.00 4.04 9.92 -1.25 -4.99 116.55 124.94 1ncu n ASP 66 Ca 0.00 -0.84 0.00 0.00 -0.53 0.00 0.00 54.79 53.42 1ncu n ASP 66 Cb 0.58 0.73 0.00 0.00 -0.64 0.00 0.00 41.12 41.79 1ncu n ASP 66 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1ncu n GLU 67 N -0.73 0.00 -3.40 -1.24 0.28 -1.26 -4.31 120.64 109.98 1ncu n GLU 67 Ca 0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.80 1ncu n GLU 67 Cb 0.13 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.90 1ncu n GLU 67 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1ncu s GLY 68 N 0.00 0.40 -0.29 -1.84 0.00 -1.21 -4.23 107.32 100.16 1ncu s GLY 68 Ca 0.00 -1.44 0.03 0.00 0.00 0.00 0.00 44.72 43.30 1ncu s GLY 68 CO 0.00 2.44 0.57 0.21 0.00 0.00 0.00 173.10 176.32 1ncu s ASN 69 N 1.18 -1.32 0.12 1.64 3.84 -1.26 -3.40 114.94 115.75 1ncu s ASN 69 Ca 0.19 0.40 0.00 0.00 0.21 0.00 0.00 52.86 53.65 1ncu s ASN 69 Cb -0.17 1.98 -0.04 0.00 -0.55 0.00 0.00 41.25 42.46 1ncu s ASN 69 CO -0.02 -0.29 0.01 -0.31 -2.79 0.00 0.00 177.10 173.70 1ncu s TYR 70 N 2.81 0.91 0.33 0.43 2.02 -0.83 -4.57 117.35 118.44 1ncu s TYR 70 Ca 0.14 -1.10 -0.01 0.00 -0.37 0.00 0.00 57.07 55.74 1ncu s TYR 70 Cb -0.12 -0.53 0.00 0.00 -0.40 0.00 0.00 41.96 40.91 1ncu s TYR 70 CO -0.24 -0.35 0.43 0.43 -1.57 0.00 0.00 175.55 174.25 1ncu n SER 71 N -0.10 -1.20 -3.47 2.29 7.64 -1.10 -1.50 113.62 116.17 1ncu n SER 71 Ca -0.08 -2.80 -0.17 0.00 1.01 0.00 0.00 58.87 56.83 1ncu n SER 71 Cb 0.63 2.28 -0.12 0.00 -1.01 0.00 0.00 64.21 65.98 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 -2.84 -0.36 -0.65 0.44 0.11 -0.78 -0.79 120.40 115.53 1ncu s VAL 72 Ca 0.28 -0.11 -0.20 0.00 -2.93 0.00 0.00 61.98 59.01 1ncu s VAL 72 Cb -0.01 -0.70 0.09 0.00 -1.53 0.00 0.00 36.38 34.24 1ncu s VAL 72 CO 0.20 -0.20 0.84 0.68 -3.33 0.00 0.00 175.10 173.30 1ncu s VAL 73 N 2.36 4.62 -0.17 2.04 -7.23 0.10 -1.06 120.40 121.06 1ncu s VAL 73 Ca 0.08 -0.79 -0.14 0.00 -1.81 0.00 0.00 61.98 59.32 1ncu s VAL 73 Cb -0.16 -4.59 -0.05 0.00 0.56 0.00 0.00 36.38 32.15 1ncu s VAL 73 CO -0.13 -1.29 0.28 -0.69 -0.31 0.00 0.00 175.10 172.97 1ncu s VAL 74 N 3.22 5.31 0.35 1.32 1.01 0.10 -2.96 120.40 128.75 1ncu s VAL 74 Ca 0.17 0.52 -0.02 0.00 0.00 0.00 0.00 61.98 62.65 1ncu s VAL 74 Cb -0.20 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.57 1ncu s VAL 74 CO 0.07 0.38 0.49 -1.83 0.00 0.00 0.00 175.10 174.20 1ncu s GLU 75 N 0.55 1.95 0.00 2.72 4.04 -1.24 -1.54 118.70 125.19 1ncu s GLU 75 Ca 0.16 -1.78 0.00 0.00 0.04 0.00 0.00 54.97 53.39 1ncu s GLU 75 Cb -0.13 0.45 0.00 0.00 0.02 0.00 0.00 34.13 34.47 1ncu s GLU 75 CO 0.04 -0.81 0.00 -1.71 -1.84 0.00 0.00 175.26 170.93 1ncu n ASN 76 N -1.48 0.93 -0.02 0.83 5.15 -0.79 -1.80 115.26 118.07 1ncu n ASN 76 Ca 0.01 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1ncu n ASN 76 Cb 0.61 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.86 1ncu n ASN 76 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1ncu n SER 77 N 0.00 -0.04 -0.23 1.20 3.41 -1.26 -3.39 113.62 113.32 1ncu n SER 77 Ca 0.00 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1ncu n SER 77 Cb 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 -4.06 0.00 -4.07 4.33 0.00 -1.26 -5.03 120.64 110.55 1ncu n GLU 78 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 57.16 56.90 1ncu n GLU 78 Cb 0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 31.44 31.37 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 -0.02 2.12 -0.45 -1.84 0.00 -1.22 -4.72 107.32 101.19 1ncu s GLY 79 Ca 0.00 -1.95 0.06 0.00 0.00 0.00 0.00 44.72 42.83 1ncu s GLY 79 CO 0.00 -1.82 1.12 0.58 0.00 0.00 0.00 173.10 172.98 1ncu n LYS 80 N -1.21 0.94 -2.99 2.90 -0.00 -1.04 -1.89 118.16 114.87 1ncu n LYS 80 Ca -0.02 -1.83 -0.28 0.00 -0.00 0.00 0.00 58.31 56.19 1ncu n LYS 80 Cb 0.63 -1.00 -0.02 0.00 -0.00 0.00 0.00 35.03 34.64 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 0.29 3.62 0.00 -1.58 0.74 -0.59 -4.82 119.66 117.32 1ncu s GLN 81 Ca 0.23 0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.78 1ncu s GLN 81 Cb 0.29 -2.50 0.00 0.00 1.10 0.00 0.00 33.01 31.90 1ncu s GLN 81 CO -0.08 0.01 0.00 -0.85 -0.55 0.00 0.00 175.29 173.82 1ncu n GLU 82 N -1.57 0.34 -4.01 1.67 -0.00 -1.26 -0.72 120.64 115.10 1ncu n GLU 82 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.16 57.06 1ncu n GLU 82 Cb 0.55 0.00 -0.07 0.00 -0.00 0.00 0.00 31.44 31.91 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 -2.00 0.13 -0.14 -1.84 0.00 -0.22 -4.91 121.76 112.78 1ncu s ALA 83 Ca 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 1ncu s ALA 83 Cb 0.00 0.97 0.07 0.00 0.00 0.00 0.00 23.12 24.16 1ncu s ALA 83 CO 0.00 -0.68 0.17 -1.21 0.00 0.00 0.00 175.76 174.04 1ncu s GLU 84 N -4.01 0.09 -0.02 0.00 0.41 -1.26 -1.87 118.70 112.04 1ncu s GLU 84 Ca 0.21 0.33 -0.01 0.00 -0.41 0.00 0.00 54.97 55.09 1ncu s GLU 84 Cb 0.03 -0.86 0.01 0.00 -1.78 0.00 0.00 34.13 31.53 1ncu s GLU 84 CO 0.04 -0.49 0.05 -0.59 -0.49 0.00 0.00 175.26 173.77 1ncu s PHE 85 N 2.28 -0.05 0.19 1.61 -0.71 -0.57 -4.91 117.98 115.82 1ncu s PHE 85 Ca 0.04 0.13 0.05 0.00 -1.04 0.00 0.00 56.93 56.12 1ncu s PHE 85 Cb -0.14 -0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.63 1ncu s PHE 85 CO -0.09 -0.03 0.20 0.95 -1.34 0.00 0.00 175.22 174.91 1ncu s THR 86 N 0.16 4.70 -0.21 -4.49 -4.23 -1.26 -1.97 115.64 108.34 1ncu s THR 86 Ca -0.01 -1.07 -0.04 0.00 -1.18 0.00 0.00 61.69 59.38 1ncu s THR 86 Cb -0.02 -3.45 0.07 0.00 1.34 0.00 0.00 72.50 70.44 1ncu s THR 86 CO -0.00 -0.18 0.09 -0.76 -0.54 0.00 0.00 174.62 173.22 1ncu s LEU 87 N -3.38 0.63 0.50 4.79 2.01 -1.22 -2.21 118.68 119.80 1ncu s LEU 87 Ca 0.32 -0.85 -0.06 0.00 0.01 0.00 0.00 54.13 53.56 1ncu s LEU 87 Cb -0.10 -0.36 -0.03 0.00 0.01 0.00 0.00 46.19 45.71 1ncu s LEU 87 CO 0.25 -0.36 0.82 -0.89 1.01 0.00 0.00 176.35 177.18 1ncu s THR 88 N 2.05 4.77 -0.45 5.49 2.01 -1.17 -3.28 115.64 125.05 1ncu s THR 88 Ca 0.03 0.24 0.05 0.00 0.31 0.00 0.00 61.69 62.32 1ncu s THR 88 Cb -0.16 -3.82 0.18 0.00 0.01 0.00 0.00 72.50 68.70 1ncu s THR 88 CO -0.16 -0.84 0.50 0.27 -0.69 0.00 0.00 174.62 173.71 1ncu s ILE 89 N -2.80 -0.26 0.00 1.82 -0.00 -1.23 -1.66 121.20 117.07 1ncu s ILE 89 Ca 0.49 -1.87 0.00 0.00 -0.00 0.00 0.00 60.65 59.27 1ncu s ILE 89 Cb -0.10 -0.70 0.00 0.00 -0.00 0.00 0.00 42.46 41.66 1ncu s ILE 89 CO 0.46 -0.69 0.00 0.00 -0.00 0.00 0.00 174.94 174.71 1ncu n GLN 90 N 2.96 -0.59 0.00 0.37 1.13 -0.49 -4.64 117.38 116.12 1ncu n GLN 90 Ca 0.24 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 1ncu n GLN 90 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.86 1ncu n GLN 90 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98