#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 2.43 0.13 4.33 -0.00 -1.26 -4.82 118.16 118.96 1ncu n LYS -5 Ca 0.00 -2.37 0.00 0.00 -0.00 0.00 0.00 58.31 55.94 1ncu n LYS -5 Cb 0.00 -1.48 0.00 0.00 -0.00 0.00 0.00 35.03 33.55 1ncu n LYS -5 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1ncu n THR -4 N -0.60 0.00 0.00 0.58 -2.24 -1.26 -5.06 114.28 105.70 1ncu n THR -4 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1ncu n THR -4 Cb 0.61 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1ncu n THR -4 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ncu n THR -3 N -3.27 0.00 -3.29 4.28 -1.04 -1.26 -5.16 114.28 104.54 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 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 67.91 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 -2.45 0.00 0.00 -4.42 -0.00 -1.26 -4.68 117.00 104.19 1ncu n LEU -2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1ncu n LEU -2 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 1ncu n LEU -2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 1ncu n ALA -1 N -3.00 0.03 -3.69 1.47 0.00 -1.26 -4.10 120.51 109.95 1ncu n ALA -1 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1ncu n ALA -1 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 -3.66 -0.96 -0.10 0.00 0.00 -1.26 -3.77 121.76 112.02 1ncu s ALA 0 Ca 0.00 1.40 -0.13 0.00 0.00 0.00 0.00 51.96 53.23 1ncu s ALA 0 Cb 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.17 1ncu s ALA 0 CO 0.00 -0.39 0.33 -0.98 0.00 0.00 0.00 175.76 174.72 1ncu s ARG 1 N 1.72 0.47 -0.08 0.00 1.70 -1.13 -4.43 118.95 117.20 1ncu s ARG 1 Ca -0.07 0.29 -0.20 0.00 -0.47 0.00 0.00 55.73 55.27 1ncu s ARG 1 Cb -0.10 0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 34.46 1ncu s ARG 1 CO -0.12 -0.09 0.57 0.42 -1.08 0.00 0.00 175.30 175.01 1ncu s ILE 2 N -0.24 5.08 -0.20 4.99 1.01 -1.26 -2.11 121.20 128.46 1ncu s ILE 2 Ca -0.04 1.16 -0.22 0.00 0.00 0.00 0.00 60.65 61.56 1ncu s ILE 2 Cb -0.03 -3.91 -0.19 0.00 0.01 0.00 0.00 42.46 38.34 1ncu s ILE 2 CO 0.02 0.33 0.22 0.25 0.00 0.00 0.00 174.94 175.76 1ncu h LEU 3 N 6.46 0.00 -7.74 2.97 6.46 -1.56 -3.48 115.31 118.42 1ncu h LEU 3 Ca -0.42 -0.51 -0.29 0.00 -0.12 0.00 0.00 57.88 56.54 1ncu h LEU 3 Cb 1.19 0.00 -0.30 0.00 -0.73 0.00 0.00 40.66 40.82 1ncu h LEU 3 CO 0.74 1.46 -0.74 -0.89 -0.62 0.00 0.00 178.44 178.39 1ncu s THR 4 N -2.35 0.16 0.16 1.05 2.01 -0.71 -4.97 115.64 110.98 1ncu s THR 4 Ca -0.28 -0.04 0.03 0.00 0.31 0.00 0.00 61.69 61.71 1ncu s THR 4 Cb 0.05 -0.18 0.03 0.00 0.01 0.00 0.00 72.50 72.41 1ncu s THR 4 CO 0.58 0.07 0.22 2.29 -0.69 0.00 0.00 174.62 177.09 1ncu n LYS 5 N 3.35 0.88 -2.81 4.92 2.85 -1.26 0.41 118.16 126.50 1ncu n LYS 5 Ca -0.17 -0.83 -0.33 0.00 -1.05 0.00 0.00 58.31 55.93 1ncu n LYS 5 Cb 0.57 -0.07 -0.06 0.00 -0.65 0.00 0.00 35.03 34.82 1ncu n LYS 5 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1ncu s PRO 6 N -2.71 4.13 -0.13 -1.58 0.04 -1.21 -4.32 135.00 129.22 1ncu s PRO 6 Ca 0.16 0.99 0.07 0.00 0.04 0.00 0.00 61.00 62.26 1ncu s PRO 6 Cb -0.01 -2.22 0.41 0.00 0.04 0.00 0.00 34.50 32.71 1ncu s PRO 6 CO 0.10 -0.04 1.14 2.89 0.04 0.00 0.00 177.00 181.14 1ncu n ARG 7 N -0.77 2.88 0.00 4.56 0.00 -1.26 -4.91 116.66 117.15 1ncu n ARG 7 Ca 0.06 -1.57 0.00 0.00 -0.00 0.00 0.00 57.85 56.34 1ncu n ARG 7 Cb 0.54 -1.87 0.00 0.00 -0.00 0.00 0.00 32.46 31.13 1ncu n ARG 7 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1ncu n SER 8 N 0.27 -2.08 -3.86 2.89 7.64 -1.26 -4.99 113.62 112.23 1ncu n SER 8 Ca 0.15 0.00 0.04 0.00 1.01 0.00 0.00 58.87 60.07 1ncu n SER 8 Cb 0.75 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.95 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 0.00 0.10 -0.15 1.43 1.75 -1.17 -4.92 119.30 116.34 1ncu s MET 9 Ca 0.00 -0.06 -0.06 0.00 -1.25 0.00 0.00 55.69 54.31 1ncu s MET 9 Cb 0.00 0.03 0.07 0.00 2.84 0.00 0.00 34.83 37.76 1ncu s MET 9 CO 0.00 -0.05 0.33 -0.08 -0.65 0.00 0.00 175.02 174.57 1ncu s THR 10 N -2.03 -0.30 0.32 10.11 -1.32 -1.26 -2.75 115.64 118.40 1ncu s THR 10 Ca 0.27 0.18 0.04 0.00 -1.21 0.00 0.00 61.69 60.97 1ncu s THR 10 Cb 0.02 -0.52 -0.02 0.00 -1.51 0.00 0.00 72.50 70.48 1ncu s THR 10 CO -0.04 0.08 0.16 1.33 -2.21 0.00 0.00 174.62 173.94 1ncu n VAL 11 N 4.88 0.00 1.05 5.08 0.24 -0.61 -4.96 118.33 124.00 1ncu n VAL 11 Ca -0.15 -1.98 0.11 0.00 -2.04 0.00 0.00 64.34 60.29 1ncu n VAL 11 Cb 0.52 0.80 0.12 0.00 -1.47 0.00 0.00 33.84 33.81 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 -0.69 0.00 0.00 6.34 9.36 -1.26 0.20 117.16 131.12 1ncu n TYR 12 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 1ncu n TYR 12 Cb 0.50 -0.11 0.00 0.00 -0.63 0.00 0.00 39.34 39.11 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 -1.07 0.00 -2.67 2.98 0.28 -1.09 -3.95 120.64 115.12 1ncu n GLU 13 Ca 0.07 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.69 1ncu n GLU 13 Cb 0.36 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.24 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 6.04 0.00 -1.84 0.00 -1.26 -4.72 105.19 103.41 1ncu n GLY 14 Ca 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.11 0.00 -2.65 1.61 1.02 -1.26 -3.68 120.64 115.56 1ncu n GLU 15 Ca 0.44 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.55 1ncu n GLU 15 Cb 0.28 -0.49 0.09 0.00 -0.02 0.00 0.00 31.44 31.30 1ncu n GLU 15 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ncu n SER 16 N -0.13 -1.05 -4.65 1.62 2.88 -1.22 -4.41 113.62 106.66 1ncu n SER 16 Ca 0.00 -1.55 -0.40 0.00 -1.33 0.00 0.00 58.87 55.58 1ncu n SER 16 Cb 0.00 0.64 -0.06 0.00 -0.75 0.00 0.00 64.21 64.04 1ncu n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ncu s ALA 17 N 0.02 3.57 -0.22 -1.46 0.00 -1.17 -4.93 121.76 117.57 1ncu s ALA 17 Ca 0.24 -0.32 -0.08 0.00 0.00 0.00 0.00 51.96 51.80 1ncu s ALA 17 Cb 0.22 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 1ncu s ALA 17 CO -0.09 -0.66 0.10 1.03 0.00 0.00 0.00 175.76 176.14 1ncu s ARG 18 N 2.16 3.89 0.21 0.00 0.52 -1.26 -3.20 118.95 121.27 1ncu s ARG 18 Ca 0.28 -0.37 0.08 0.00 -0.52 0.00 0.00 55.73 55.21 1ncu s ARG 18 Cb -0.16 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 1ncu s ARG 18 CO 0.10 0.05 -0.01 -0.06 0.02 0.00 0.00 175.30 175.39 1ncu s PHE 19 N 1.01 2.76 -0.17 -0.53 0.40 -0.45 -4.93 117.98 116.07 1ncu s PHE 19 Ca 0.05 -0.18 -0.09 0.00 -0.60 0.00 0.00 56.93 56.11 1ncu s PHE 19 Cb -0.14 -1.30 0.06 0.00 0.51 0.00 0.00 43.02 42.15 1ncu s PHE 19 CO 0.03 0.55 0.41 -1.54 0.70 0.00 0.00 175.22 175.37 1ncu s SER 20 N -3.20 -0.51 -0.12 1.36 1.04 -1.26 -1.68 113.70 109.33 1ncu s SER 20 Ca 0.28 0.89 0.01 0.00 0.48 0.00 0.00 55.95 57.61 1ncu s SER 20 Cb -0.08 0.77 0.02 0.00 0.10 0.00 0.00 66.02 66.83 1ncu s SER 20 CO 0.19 -0.19 -0.13 0.00 0.98 0.00 0.00 173.24 174.08 1ncu s ASP 22 N 1.28 6.54 0.01 0.00 1.11 0.17 -1.34 116.67 124.44 1ncu s ASP 22 Ca -0.01 0.55 0.07 0.00 0.18 0.00 0.00 52.55 53.34 1ncu s ASP 22 Cb -0.14 -2.34 -0.03 0.00 1.07 0.00 0.00 42.92 41.48 1ncu s ASP 22 CO -0.06 -0.46 -0.21 0.42 1.18 0.00 0.00 175.17 176.05 1ncu s THR 23 N 2.61 2.55 0.29 -1.27 -4.23 0.53 -1.33 115.64 114.80 1ncu s THR 23 Ca 0.26 -1.10 0.10 0.00 -1.18 0.00 0.00 61.69 59.77 1ncu s THR 23 Cb -0.15 -2.00 -0.05 0.00 1.34 0.00 0.00 72.50 71.65 1ncu s THR 23 CO 0.11 0.46 -0.02 -1.81 -0.54 0.00 0.00 174.62 172.82 1ncu s ASP 24 N -1.03 4.31 0.00 3.99 1.01 -0.90 -4.12 116.67 119.93 1ncu s ASP 24 Ca 0.12 -0.80 0.00 0.00 0.71 0.00 0.00 52.55 52.58 1ncu s ASP 24 Cb -0.10 -0.67 0.00 0.00 1.01 0.00 0.00 42.92 43.16 1ncu s ASP 24 CO 0.02 -0.07 0.00 0.61 0.21 0.00 0.00 175.17 175.94 1ncu n GLY 25 N -0.88 -1.65 2.97 0.21 0.00 -1.26 -2.85 105.19 101.72 1ncu n GLY 25 Ca -0.05 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 1ncu n GLY 25 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ncu s GLU 26 N -1.76 0.17 0.27 1.61 4.04 -1.25 -4.20 118.70 117.59 1ncu s GLU 26 Ca 0.00 -0.07 0.12 0.00 0.04 0.00 0.00 54.97 55.05 1ncu s GLU 26 Cb 0.00 0.07 0.32 0.00 0.02 0.00 0.00 34.13 34.54 1ncu s GLU 26 CO 0.00 -0.03 1.58 -1.00 -1.84 0.00 0.00 175.26 173.97 1ncu h PRO 27 N 5.59 0.00 -2.48 -4.83 0.13 -1.94 -3.19 132.00 125.29 1ncu h PRO 27 Ca -0.26 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.78 1ncu h PRO 27 Cb 1.20 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.09 1ncu h PRO 27 CO 0.45 0.62 -0.19 0.08 -0.23 0.00 0.00 178.00 178.73 1ncu s VAL 28 N -3.45 -0.01 0.91 1.56 1.01 -1.26 -5.07 120.40 114.09 1ncu s VAL 28 Ca -0.00 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 1ncu s VAL 28 Cb 0.12 -0.71 0.14 0.00 0.00 0.00 0.00 36.38 35.92 1ncu s VAL 28 CO 0.76 0.02 1.09 -2.16 0.00 0.00 0.00 175.10 174.81 1ncu s PRO 29 N 1.22 1.15 0.17 2.72 0.04 -1.25 -4.76 135.00 134.29 1ncu s PRO 29 Ca -0.08 1.01 0.08 0.00 0.04 0.00 0.00 61.00 62.06 1ncu s PRO 29 Cb -0.07 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1ncu s PRO 29 CO -0.12 -2.37 -0.17 0.99 0.04 0.00 0.00 177.00 175.37 1ncu s THR 30 N -2.83 1.79 -0.04 1.26 2.01 -0.16 -4.89 115.64 112.79 1ncu s THR 30 Ca 0.64 -1.96 0.01 0.00 0.31 0.00 0.00 61.69 60.69 1ncu s THR 30 Cb -0.19 -1.86 0.02 0.00 0.01 0.00 0.00 72.50 70.47 1ncu s THR 30 CO 0.58 -0.37 -0.04 0.54 -0.69 0.00 0.00 174.62 174.64 1ncu s VAL 31 N -2.21 0.50 -0.18 3.82 0.11 -1.26 -2.12 120.40 119.06 1ncu s VAL 31 Ca 0.17 -0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 59.10 1ncu s VAL 31 Cb -0.05 -0.53 0.05 0.00 -1.53 0.00 0.00 36.38 34.32 1ncu s VAL 31 CO 0.07 0.21 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.12 1ncu s THR 32 N 0.87 1.08 -0.21 5.04 2.01 -1.08 -4.99 115.64 118.35 1ncu s THR 32 Ca -0.11 -0.72 -0.23 0.00 0.31 0.00 0.00 61.69 60.93 1ncu s THR 32 Cb -0.14 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 1ncu s THR 32 CO 0.00 0.02 0.74 0.26 -0.69 0.00 0.00 174.62 174.96 1ncu s TRP 33 N 1.63 3.36 0.01 4.92 0.52 -1.26 -0.78 118.94 127.34 1ncu s TRP 33 Ca -0.01 1.06 -0.15 0.00 0.02 0.00 0.00 56.10 57.02 1ncu s TRP 33 Cb -0.16 -2.93 0.02 0.00 -1.15 0.00 0.00 33.47 29.25 1ncu s TRP 33 CO -0.07 -0.28 0.33 -0.48 0.02 0.00 0.00 176.95 176.47 1ncu s LEU 34 N 2.31 0.77 0.27 2.99 2.34 -0.40 -0.50 118.68 126.45 1ncu s LEU 34 Ca 0.33 -0.01 -0.21 0.00 0.06 0.00 0.00 54.13 54.30 1ncu s LEU 34 Cb -0.16 1.39 0.04 0.00 -0.56 0.00 0.00 46.19 46.90 1ncu s LEU 34 CO 0.10 -0.54 0.79 -0.60 -1.06 0.00 0.00 176.35 175.04 1ncu s ARG 35 N -1.89 1.71 0.64 1.48 6.06 -1.26 -2.41 118.95 123.27 1ncu s ARG 35 Ca -0.09 -0.98 0.23 0.00 -2.50 0.00 0.00 55.73 52.38 1ncu s ARG 35 Cb -0.03 0.56 1.14 0.00 0.06 0.00 0.00 34.95 36.68 1ncu s ARG 35 CO 0.01 -0.79 1.62 -0.22 -2.50 0.00 0.00 175.30 173.43 1ncu h LYS 36 N 2.00 0.00 0.00 5.12 3.64 -1.99 -3.26 116.57 122.07 1ncu h LYS 36 Ca -0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1ncu h LYS 36 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1ncu h LYS 36 CO 0.26 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.85 1ncu n GLY 37 N -1.43 -2.05 2.85 5.01 0.00 -1.26 -4.94 105.19 103.37 1ncu n GLY 37 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 1ncu n GLY 37 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ncu s GLN 38 N 0.00 0.85 0.00 1.61 2.00 -1.23 -5.08 119.66 117.81 1ncu s GLN 38 Ca 0.00 -0.72 0.00 0.00 -2.00 0.00 0.00 55.36 52.64 1ncu s GLN 38 Cb 0.00 -0.01 0.00 0.00 0.80 0.00 0.00 33.01 33.80 1ncu s GLN 38 CO 0.00 -1.09 0.00 1.33 -0.50 0.00 0.00 175.29 175.03 1ncu n VAL 39 N 3.26 -0.28 -0.11 1.34 0.24 -1.26 -4.65 118.33 116.88 1ncu n VAL 39 Ca 0.15 0.00 0.27 0.00 -2.04 0.00 0.00 64.34 62.72 1ncu n VAL 39 Cb 0.58 -0.84 0.71 0.00 -1.47 0.00 0.00 33.84 32.82 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 3.20 0.00 -8.17 1.34 4.07 -1.14 -3.31 115.31 111.32 1ncu h LEU 40 Ca 0.00 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.70 1ncu h LEU 40 Cb 0.00 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.67 1ncu h LEU 40 CO 0.00 0.00 1.28 -1.20 -1.08 0.00 0.00 178.44 177.44 1ncu n SER 41 N -3.90 0.15 -3.12 -0.43 7.64 -1.17 -3.50 113.62 109.30 1ncu n SER 41 Ca 0.16 -0.79 -0.10 0.00 1.01 0.00 0.00 58.87 59.15 1ncu n SER 41 Cb 0.96 -1.05 -0.03 0.00 -1.01 0.00 0.00 64.21 63.08 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 7.06 -0.34 -0.05 0.44 -2.24 -1.25 -4.77 114.28 113.13 1ncu n THR 42 Ca 0.58 -0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 62.11 1ncu n THR 42 Cb 0.26 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.13 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 0.17 0.17 0.00 3.42 4.64 -1.64 -3.46 113.55 116.84 1ncu h SER 43 Ca -0.21 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1ncu h SER 43 Cb 0.45 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1ncu h SER 43 CO 0.22 0.13 0.00 0.00 -0.87 0.00 0.00 176.83 176.31 1ncu n ALA 44 N -2.20 0.00 0.25 5.18 0.00 -1.26 -4.96 120.51 117.52 1ncu n ALA 44 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.50 1ncu n ALA 44 Cb 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.37 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 0.73 -4.39 0.00 1.74 -1.26 -5.01 116.66 108.47 1ncu n ARG 45 Ca 0.00 -0.12 -0.20 0.00 -0.77 0.00 0.00 57.85 56.76 1ncu n ARG 45 Cb 0.00 -1.41 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 1ncu n ARG 45 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 1ncu s HIS 46 N -3.09 1.70 -0.02 -1.55 -3.43 -1.26 -2.98 115.29 104.65 1ncu s HIS 46 Ca -0.03 -1.21 0.00 0.00 -0.80 0.00 0.00 55.06 53.03 1ncu s HIS 46 Cb 0.12 -1.02 0.02 0.00 -1.43 0.00 0.00 32.58 30.27 1ncu s HIS 46 CO 0.75 -0.31 0.01 -1.14 -2.00 0.00 0.00 174.74 172.05 1ncu s GLN 47 N -3.88 0.14 0.36 -0.38 -0.44 -0.89 -3.94 119.66 110.63 1ncu s GLN 47 Ca 0.34 0.07 0.09 0.00 -2.50 0.00 0.00 55.36 53.37 1ncu s GLN 47 Cb 0.06 -0.30 -0.07 0.00 -1.64 0.00 0.00 33.01 31.06 1ncu s GLN 47 CO 0.15 -0.10 -0.07 0.54 0.50 0.00 0.00 175.29 176.32 1ncu s VAL 48 N 0.73 2.23 0.21 1.34 0.11 -1.26 -1.69 120.40 122.07 1ncu s VAL 48 Ca -0.07 -2.15 -0.13 0.00 -2.93 0.00 0.00 61.98 56.71 1ncu s VAL 48 Cb -0.10 -2.72 0.00 0.00 -1.53 0.00 0.00 36.38 32.03 1ncu s VAL 48 CO -0.02 -0.16 0.43 0.28 -3.33 0.00 0.00 175.10 172.29 1ncu s THR 49 N -2.62 0.03 -0.15 5.04 -1.32 -0.43 -4.82 115.64 111.37 1ncu s THR 49 Ca 0.33 -1.25 -0.09 0.00 -1.21 0.00 0.00 61.69 59.47 1ncu s THR 49 Cb 0.04 -1.94 0.05 0.00 -1.51 0.00 0.00 72.50 69.14 1ncu s THR 49 CO 0.17 -0.12 0.36 -0.89 -2.21 0.00 0.00 174.62 171.93 1ncu s THR 50 N -3.97 -0.02 0.00 5.08 2.01 -1.26 -1.99 115.64 115.48 1ncu s THR 50 Ca 0.18 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.26 1ncu s THR 50 Cb 0.01 -0.54 0.00 0.00 0.01 0.00 0.00 72.50 71.98 1ncu s THR 50 CO 0.03 0.04 0.00 0.41 -0.69 0.00 0.00 174.62 174.41 1ncu n THR 51 N 3.99 0.00 0.10 -0.82 -1.04 -0.73 -4.98 114.28 110.80 1ncu n THR 51 Ca -0.22 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.75 1ncu n THR 51 Cb 0.55 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.04 1ncu n THR 51 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1ncu h LYS 52 N 0.00 -0.27 0.00 -2.82 1.57 -1.98 -3.40 116.57 109.67 1ncu h LYS 52 Ca 0.00 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1ncu h LYS 52 Cb 0.00 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 32.26 1ncu h LYS 52 CO 0.00 -0.18 -0.60 0.66 -0.57 0.00 0.00 179.45 178.77 1ncu n TYR 53 N -3.28 0.00 -3.55 -1.35 4.02 -1.26 -3.85 117.16 107.89 1ncu n TYR 53 Ca -0.03 -1.10 -0.09 0.00 -0.01 0.00 0.00 57.90 56.67 1ncu n TYR 53 Cb 0.11 -0.20 -0.09 0.00 -0.02 0.00 0.00 39.34 39.13 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 -2.15 0.31 0.44 -0.72 -2.85 -1.26 -0.35 119.74 113.17 1ncu s LYS 54 Ca 0.34 0.84 0.02 0.00 -1.00 0.00 0.00 55.97 56.18 1ncu s LYS 54 Cb 0.35 0.03 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 1ncu s LYS 54 CO -0.08 -0.38 0.64 0.45 0.10 0.00 0.00 175.35 176.07 1ncu s SER 55 N 2.57 5.76 -0.13 0.03 0.15 -0.45 -1.77 113.70 119.87 1ncu s SER 55 Ca 0.03 0.10 -0.14 0.00 0.70 0.00 0.00 55.95 56.65 1ncu s SER 55 Cb -0.13 -1.32 0.04 0.00 -1.71 0.00 0.00 66.02 62.90 1ncu s SER 55 CO -0.13 -0.72 0.39 0.42 1.20 0.00 0.00 173.24 174.40 1ncu s THR 56 N -2.50 0.01 0.13 6.45 -4.23 -0.84 -1.65 115.64 113.01 1ncu s THR 56 Ca 0.49 -0.05 0.10 0.00 -1.18 0.00 0.00 61.69 61.05 1ncu s THR 56 Cb -0.10 -0.56 -0.04 0.00 1.34 0.00 0.00 72.50 73.14 1ncu s THR 56 CO 0.36 -0.03 -0.25 0.12 -0.54 0.00 0.00 174.62 174.29 1ncu s PHE 57 N 0.01 2.14 -0.09 3.99 5.36 -0.67 -1.31 117.98 127.41 1ncu s PHE 57 Ca -0.02 -0.39 -0.05 0.00 -0.96 0.00 0.00 56.93 55.51 1ncu s PHE 57 Cb -0.03 -1.15 0.04 0.00 -0.34 0.00 0.00 43.02 41.54 1ncu s PHE 57 CO 0.01 0.32 0.21 -2.00 -1.46 0.00 0.00 175.22 172.30 1ncu s GLU 58 N -2.12 0.18 -0.07 10.12 2.56 -0.68 -1.34 118.70 127.34 1ncu s GLU 58 Ca 0.13 0.42 0.03 0.00 0.00 0.00 0.00 54.97 55.55 1ncu s GLU 58 Cb -0.10 -0.08 0.01 0.00 2.00 0.00 0.00 34.13 35.96 1ncu s GLU 58 CO 0.06 -0.13 -0.14 0.42 -0.56 0.00 0.00 175.26 174.91 1ncu s ILE 59 N 0.95 1.26 0.00 -3.70 1.01 -1.19 -2.10 121.20 117.43 1ncu s ILE 59 Ca -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1ncu s ILE 59 Cb -0.08 -1.14 0.00 0.00 0.01 0.00 0.00 42.46 41.25 1ncu s ILE 59 CO -0.06 0.38 0.49 -1.20 0.00 0.00 0.00 174.94 174.55 1ncu n SER 60 N 3.76 0.00 0.00 3.58 7.64 -1.26 -3.02 113.62 124.32 1ncu n SER 60 Ca -0.22 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 58.42 1ncu n SER 60 Cb 0.52 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 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 0.35 -4.33 6.43 2.88 -1.21 -4.51 113.62 113.23 1ncu n SER 61 Ca 0.00 -0.91 -0.40 0.00 -1.33 0.00 0.00 58.87 56.23 1ncu n SER 61 Cb 0.55 0.05 0.01 0.00 -0.75 0.00 0.00 64.21 64.07 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 -0.05 0.87 0.00 2.46 3.14 -1.16 -4.84 118.33 118.75 1ncu n VAL 62 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1ncu n VAL 62 Cb 0.13 -0.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.69 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 1.00 0.00 -1.00 1.45 1.13 -1.26 -4.04 117.38 114.65 1ncu n GLN 63 Ca 0.10 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.15 1ncu n GLN 63 Cb 0.45 -0.17 0.00 0.00 0.11 0.00 0.00 30.24 30.63 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 -1.74 -1.26 -2.10 -1.58 0.00 -1.26 -4.81 120.51 107.76 1ncu n ALA 64 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 1ncu n ALA 64 Cb 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.06 -0.11 -0.74 0.00 2.88 -1.26 -4.88 113.62 109.44 1ncu n SER 65 Ca -0.02 -1.70 0.07 0.00 -1.33 0.00 0.00 58.87 55.89 1ncu n SER 65 Cb 0.40 -0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.05 1ncu n SER 65 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1ncu n ASP 66 N 0.10 3.31 0.00 -3.46 9.92 -1.26 -5.08 116.55 120.08 1ncu n ASP 66 Ca -0.08 -2.42 0.00 0.00 -0.53 0.00 0.00 54.79 51.76 1ncu n ASP 66 Cb 0.73 -0.36 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 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 0.08 0.00 -3.41 -1.24 0.00 -1.26 -4.61 120.64 110.20 1ncu n GLU 67 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 57.10 1ncu n GLU 67 Cb 0.62 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.96 1ncu n GLU 67 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1ncu s GLY 68 N 0.00 0.24 -0.40 -1.84 0.00 -1.09 -4.28 107.32 99.95 1ncu s GLY 68 Ca 0.00 -1.10 0.07 0.00 0.00 0.00 0.00 44.72 43.69 1ncu s GLY 68 CO 0.00 2.49 1.26 0.70 0.00 0.00 0.00 173.10 177.55 1ncu n ASN 69 N 4.48 -1.87 -4.51 1.64 3.02 -1.26 -3.32 115.26 113.44 1ncu n ASN 69 Ca 0.07 -2.62 -0.25 0.00 -0.03 0.00 0.00 54.58 51.75 1ncu n ASN 69 Cb 0.43 1.25 0.13 0.00 -0.61 0.00 0.00 39.78 40.99 1ncu n ASN 69 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1ncu s TYR 70 N 0.18 1.38 0.36 3.10 2.02 -0.12 -4.79 117.35 119.49 1ncu s TYR 70 Ca 0.19 -0.22 -0.02 0.00 -0.37 0.00 0.00 57.07 56.66 1ncu s TYR 70 Cb 0.32 -3.25 0.01 0.00 -0.40 0.00 0.00 41.96 38.64 1ncu s TYR 70 CO -0.08 -2.02 0.51 0.43 -1.57 0.00 0.00 175.55 172.82 1ncu n SER 71 N -3.08 -1.41 -3.37 2.29 7.64 -1.01 -1.41 113.62 113.26 1ncu n SER 71 Ca 0.16 -2.94 -0.11 0.00 1.01 0.00 0.00 58.87 57.00 1ncu n SER 71 Cb 0.60 2.63 -0.09 0.00 -1.01 0.00 0.00 64.21 66.35 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 -2.81 -0.56 -0.61 0.44 0.11 -0.50 -1.28 120.40 115.19 1ncu s VAL 72 Ca 0.29 -0.09 -0.22 0.00 -2.93 0.00 0.00 61.98 59.03 1ncu s VAL 72 Cb -0.01 -0.80 0.06 0.00 -1.53 0.00 0.00 36.38 34.10 1ncu s VAL 72 CO 0.21 -0.15 0.90 0.68 -3.33 0.00 0.00 175.10 173.41 1ncu s VAL 73 N 2.51 4.45 -0.34 2.04 -7.23 0.04 -0.35 120.40 121.52 1ncu s VAL 73 Ca 0.12 -0.27 -0.21 0.00 -1.81 0.00 0.00 61.98 59.81 1ncu s VAL 73 Cb -0.15 -4.59 0.00 0.00 0.56 0.00 0.00 36.38 32.20 1ncu s VAL 73 CO -0.16 -1.27 0.69 0.54 -0.31 0.00 0.00 175.10 174.59 1ncu s VAL 74 N 3.75 4.85 0.20 1.32 0.11 0.22 -2.64 120.40 128.22 1ncu s VAL 74 Ca 0.22 0.79 0.08 0.00 -2.93 0.00 0.00 61.98 60.15 1ncu s VAL 74 Cb -0.17 -4.10 -0.05 0.00 -1.53 0.00 0.00 36.38 30.54 1ncu s VAL 74 CO 0.12 -0.30 -0.15 -0.70 -3.33 0.00 0.00 175.10 170.75 1ncu s GLU 75 N 2.81 1.34 0.00 1.54 2.12 -0.90 -1.61 118.70 124.00 1ncu s GLU 75 Ca 0.27 -1.58 0.00 0.00 0.36 0.00 0.00 54.97 54.02 1ncu s GLU 75 Cb -0.14 -1.17 0.00 0.00 0.26 0.00 0.00 34.13 33.08 1ncu s GLU 75 CO 0.14 0.20 0.00 -1.71 -0.54 0.00 0.00 175.26 173.35 1ncu n ASN 76 N -0.33 3.29 -0.00 -1.70 4.05 -0.72 -0.98 115.26 118.86 1ncu n ASN 76 Ca -0.08 0.00 -0.00 0.00 0.45 0.00 0.00 54.58 54.95 1ncu n ASN 76 Cb 0.60 0.00 -0.00 0.00 1.23 0.00 0.00 39.78 41.61 1ncu n ASN 76 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1ncu n SER 77 N 0.00 -0.01 -0.63 1.20 2.88 -1.21 -3.54 113.62 112.31 1ncu n SER 77 Ca 0.00 0.02 -0.03 0.00 -1.33 0.00 0.00 58.87 57.53 1ncu n SER 77 Cb 0.00 -0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1ncu n SER 77 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1ncu n GLU 78 N -4.01 0.00 -5.12 -1.46 0.28 -1.26 -5.03 120.64 104.04 1ncu n GLU 78 Ca 0.00 -0.40 -0.31 0.00 -0.16 0.00 0.00 57.16 56.29 1ncu n GLU 78 Cb 0.00 0.29 -0.17 0.00 1.43 0.00 0.00 31.44 33.00 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 -0.40 1.23 -0.68 -1.84 0.00 -1.23 -4.71 107.32 99.69 1ncu s GLY 79 Ca 0.00 -0.89 0.05 0.00 0.00 0.00 0.00 44.72 43.88 1ncu s GLY 79 CO 0.00 -0.32 0.46 1.25 0.00 0.00 0.00 173.10 174.49 1ncu s LYS 80 N 0.28 2.38 0.52 2.90 2.36 -1.26 -1.76 119.74 125.17 1ncu s LYS 80 Ca -0.15 -3.24 0.08 0.00 -2.55 0.00 0.00 55.97 50.12 1ncu s LYS 80 Cb -0.17 -3.39 0.05 0.00 -1.05 0.00 0.00 37.83 33.28 1ncu s LYS 80 CO 0.07 -1.26 0.64 -1.14 1.55 0.00 0.00 175.35 175.20 1ncu s GLN 81 N -1.28 2.42 0.01 4.03 0.74 -0.63 -4.93 119.66 120.01 1ncu s GLN 81 Ca 0.24 -1.63 -0.00 0.00 0.05 0.00 0.00 55.36 54.02 1ncu s GLN 81 Cb -0.07 -2.54 0.00 0.00 1.10 0.00 0.00 33.01 31.50 1ncu s GLN 81 CO -0.14 -0.64 0.01 -0.85 -0.55 0.00 0.00 175.29 173.12 1ncu n GLU 82 N -2.01 0.01 -3.27 1.67 -0.00 -1.26 0.73 120.64 116.52 1ncu n GLU 82 Ca 0.10 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.16 57.19 1ncu n GLU 82 Cb 0.62 0.05 -0.04 0.00 -0.00 0.00 0.00 31.44 32.06 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 -1.49 -1.75 0.22 -1.84 0.00 0.53 -4.83 121.76 112.59 1ncu s ALA 83 Ca 0.00 1.49 -0.12 0.00 0.00 0.00 0.00 51.96 53.33 1ncu s ALA 83 Cb -0.00 -1.93 -0.07 0.00 0.00 0.00 0.00 23.12 21.12 1ncu s ALA 83 CO 0.00 -1.27 0.58 -1.21 0.00 0.00 0.00 175.76 173.87 1ncu s GLU 84 N 2.73 3.90 0.33 0.00 2.02 -1.26 -1.41 118.70 125.01 1ncu s GLU 84 Ca 0.16 0.42 -0.18 0.00 0.02 0.00 0.00 54.97 55.38 1ncu s GLU 84 Cb -0.15 -2.71 0.04 0.00 0.10 0.00 0.00 34.13 31.41 1ncu s GLU 84 CO -0.19 0.35 0.78 -0.59 0.02 0.00 0.00 175.26 175.64 1ncu s PHE 85 N -1.72 -0.01 0.01 1.61 -0.71 -0.50 -4.94 117.98 111.73 1ncu s PHE 85 Ca 0.45 -0.57 0.03 0.00 -1.04 0.00 0.00 56.93 55.81 1ncu s PHE 85 Cb -0.12 0.78 -0.01 0.00 -1.21 0.00 0.00 43.02 42.45 1ncu s PHE 85 CO 0.20 -1.39 -0.11 0.95 -1.34 0.00 0.00 175.22 173.53 1ncu s THR 86 N -2.93 0.82 -0.32 -4.49 -4.23 -1.26 -0.94 115.64 102.30 1ncu s THR 86 Ca 0.14 -0.66 0.01 0.00 -1.18 0.00 0.00 61.69 60.01 1ncu s THR 86 Cb -0.05 -0.73 0.10 0.00 1.34 0.00 0.00 72.50 73.15 1ncu s THR 86 CO 0.09 0.08 0.07 -0.76 -0.54 0.00 0.00 174.62 173.56 1ncu s LEU 87 N -0.65 3.34 0.56 4.79 1.02 -1.21 -3.06 118.68 123.47 1ncu s LEU 87 Ca 0.01 -1.83 -0.06 0.00 0.02 0.00 0.00 54.13 52.28 1ncu s LEU 87 Cb -0.06 -1.21 -0.00 0.00 0.02 0.00 0.00 46.19 44.94 1ncu s LEU 87 CO 0.00 -0.39 0.87 0.42 0.02 0.00 0.00 176.35 177.27 1ncu s THR 88 N 1.30 3.97 -0.22 5.49 -4.23 -1.11 -2.67 115.64 118.17 1ncu s THR 88 Ca 0.09 0.04 0.23 0.00 -1.18 0.00 0.00 61.69 60.88 1ncu s THR 88 Cb -0.18 -3.55 0.49 0.00 1.34 0.00 0.00 72.50 70.60 1ncu s THR 88 CO -0.17 -0.56 1.13 2.30 -0.54 0.00 0.00 174.62 176.78 1ncu n ILE 89 N -2.49 1.04 -3.61 2.99 -0.00 -1.10 -1.58 119.36 114.60 1ncu n ILE 89 Ca 0.04 -2.56 -0.03 0.00 -0.00 0.00 0.00 62.75 60.20 1ncu n ILE 89 Cb 0.57 1.25 -0.02 0.00 -0.00 0.00 0.00 39.64 41.44 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 -3.11 0.22 0.00 6.28 2.00 0.55 -2.67 119.66 122.92 1ncu s GLN 90 Ca 0.27 -0.09 0.00 0.00 -2.00 0.00 0.00 55.36 53.55 1ncu s GLN 90 Cb 0.33 0.10 0.00 0.00 0.80 0.00 0.00 33.01 34.24 1ncu s GLN 90 CO -0.06 -0.10 0.28 1.17 -0.50 0.00 0.00 175.29 176.08