#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 -0.47 1.43 0.00 -1.26 -4.97 118.16 112.89 1ncu n LYS -5 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.32 1ncu n LYS -5 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.05 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 -0.63 0.21 -2.57 0.58 -2.24 -1.26 -5.09 114.28 103.28 1ncu n THR -4 Ca 0.00 -0.26 -0.03 0.00 -2.27 0.00 0.00 64.05 61.48 1ncu n THR -4 Cb 0.00 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 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 -0.15-10.85 -3.62 4.28 -1.04 -1.26 -5.03 114.28 96.62 1ncu n THR -3 Ca 0.02 2.40 -0.24 0.00 -2.04 0.00 0.00 64.05 64.19 1ncu n THR -3 Cb 0.70 -5.65 0.01 0.00 -1.82 0.00 0.00 70.33 63.58 1ncu n THR -3 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1ncu s LEU -2 N -0.53 2.88 0.00 -4.42 0.20 0.26 -4.88 118.68 112.20 1ncu s LEU -2 Ca -0.17 -1.08 0.00 0.00 0.69 0.00 0.00 54.13 53.57 1ncu s LEU -2 Cb 0.01 -1.40 0.00 0.00 -0.43 0.00 0.00 46.19 44.37 1ncu s LEU -2 CO 0.45 -1.12 0.00 0.00 -0.29 0.00 0.00 176.35 175.39 1ncu n ALA -1 N -1.88 0.00 -3.74 5.97 0.00 -1.26 -3.81 120.51 115.79 1ncu n ALA -1 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 1ncu n ALA -1 Cb 0.63 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.94 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 -3.74 -0.27 0.01 0.00 0.00 -1.26 -3.97 121.76 112.52 1ncu s ALA 0 Ca 0.00 0.69 -0.12 0.00 0.00 0.00 0.00 51.96 52.53 1ncu s ALA 0 Cb 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.63 1ncu s ALA 0 CO 0.00 -0.20 0.26 -0.98 0.00 0.00 0.00 175.76 174.84 1ncu s ARG 1 N 1.29 0.68 -0.21 0.00 1.04 -1.13 -3.72 118.95 116.89 1ncu s ARG 1 Ca -0.08 -0.39 -0.20 0.00 -1.04 0.00 0.00 55.73 54.02 1ncu s ARG 1 Cb -0.12 0.29 -0.02 0.00 -2.04 0.00 0.00 34.95 33.06 1ncu s ARG 1 CO -0.06 -0.19 0.62 0.42 -0.04 0.00 0.00 175.30 176.04 1ncu s ILE 2 N -1.86 5.02 -0.05 4.99 1.01 -1.26 -2.11 121.20 126.94 1ncu s ILE 2 Ca -0.10 1.15 0.03 0.00 0.00 0.00 0.00 60.65 61.72 1ncu s ILE 2 Cb -0.04 -3.93 -0.25 0.00 0.01 0.00 0.00 42.46 38.25 1ncu s ILE 2 CO 0.01 0.10 0.65 0.25 0.00 0.00 0.00 174.94 175.95 1ncu h LEU 3 N 8.35 0.21 -5.66 2.97 6.46 -1.31 -3.44 115.31 122.90 1ncu h LEU 3 Ca -0.30 -0.40 -0.37 0.00 -0.12 0.00 0.00 57.88 56.68 1ncu h LEU 3 Cb 1.14 -0.07 -0.27 0.00 -0.73 0.00 0.00 40.66 40.73 1ncu h LEU 3 CO 0.77 1.36 -0.74 0.41 -0.62 0.00 0.00 178.44 179.62 1ncu n THR 4 N -3.28 -0.59 -0.57 1.05 -1.04 -0.91 -4.95 114.28 103.99 1ncu n THR 4 Ca -0.20 -2.23 -0.21 0.00 -2.04 0.00 0.00 64.05 59.37 1ncu n THR 4 Cb 1.04 -0.30 0.14 0.00 -1.82 0.00 0.00 70.33 69.40 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 2.80 -2.03 -2.39 -2.82 2.85 -1.26 -1.53 118.16 113.79 1ncu n LYS 5 Ca 0.23 -0.60 -0.27 0.00 -1.05 0.00 0.00 58.31 56.63 1ncu n LYS 5 Cb 0.52 -1.47 0.03 0.00 -0.65 0.00 0.00 35.03 33.46 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 -3.36 2.95 0.00 -1.58 0.04 -1.25 -4.52 135.00 127.28 1ncu s PRO 6 Ca 0.38 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.44 1ncu s PRO 6 Cb -0.06 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1ncu s PRO 6 CO 0.39 -0.69 0.00 2.89 0.04 0.00 0.00 177.00 179.64 1ncu n ARG 7 N -2.58 3.41 -4.37 4.56 1.85 -1.26 -4.81 116.66 113.45 1ncu n ARG 7 Ca 0.04 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.69 1ncu n ARG 7 Cb 0.57 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.90 1ncu n ARG 7 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1ncu s SER 8 N -1.00 1.90 0.00 2.89 1.04 -1.26 -4.47 113.70 112.81 1ncu s SER 8 Ca 0.00 -1.64 -0.30 0.00 0.48 0.00 0.00 55.95 54.49 1ncu s SER 8 Cb 0.00 0.47 0.11 0.00 0.10 0.00 0.00 66.02 66.70 1ncu s SER 8 CO 0.00 -0.95 1.26 -0.32 0.98 0.00 0.00 173.24 174.21 1ncu s MET 9 N -3.69 0.47 -0.18 4.02 1.75 -0.91 -4.99 119.30 115.77 1ncu s MET 9 Ca 0.34 -0.27 -0.12 0.00 -1.25 0.00 0.00 55.69 54.40 1ncu s MET 9 Cb 0.04 0.16 0.06 0.00 2.84 0.00 0.00 34.83 37.92 1ncu s MET 9 CO 0.19 -0.22 0.45 0.99 -0.65 0.00 0.00 175.02 175.78 1ncu s THR 10 N -2.45 -0.02 0.00 10.11 2.01 -1.26 -2.65 115.64 121.38 1ncu s THR 10 Ca 0.15 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.21 1ncu s THR 10 Cb 0.04 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.90 1ncu s THR 10 CO -0.03 0.02 0.00 1.33 -0.69 0.00 0.00 174.62 175.25 1ncu n VAL 11 N 3.90 0.00 -0.04 3.82 0.24 -0.71 -4.91 118.33 120.63 1ncu n VAL 11 Ca -0.20 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 61.97 1ncu n VAL 11 Cb 0.56 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.79 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 0.82 0.00 6.34 9.36 -1.26 -2.56 117.16 129.86 1ncu n TYR 12 Ca 0.00 0.26 0.00 0.00 3.32 0.00 0.00 57.90 61.48 1ncu n TYR 12 Cb 0.00 -1.14 0.00 0.00 -0.63 0.00 0.00 39.34 37.57 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 -3.10 0.00 -2.13 2.98 0.28 -1.26 -1.38 120.64 116.03 1ncu n GLU 13 Ca -0.25 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.36 1ncu n GLU 13 Cb 1.07 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.94 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 5.42 0.00 -1.84 0.00 -1.25 -4.79 105.19 102.72 1ncu n GLY 14 Ca 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.80 1ncu n GLY 14 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ncu n GLU 15 N 0.92 0.00 0.00 1.61 0.00 -1.26 -4.23 120.64 117.68 1ncu n GLU 15 Ca 0.56 0.46 0.00 0.00 0.00 0.00 0.00 57.16 58.18 1ncu n GLU 15 Cb 0.29 -1.37 0.00 0.00 0.00 0.00 0.00 31.44 30.36 1ncu n GLU 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1ncu n SER 16 N -1.76 0.00 -4.58 4.31 3.41 -1.25 -4.88 113.62 108.86 1ncu n SER 16 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1ncu n SER 16 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.00 3.48 0.06 7.33 0.00 -1.23 -4.95 121.76 126.45 1ncu s ALA 17 Ca 0.00 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.18 1ncu s ALA 17 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 1ncu s ALA 17 CO 0.00 -1.24 0.07 0.50 0.00 0.00 0.00 175.76 175.09 1ncu s ARG 18 N 2.64 2.89 0.08 0.00 3.52 -1.26 -1.77 118.95 125.04 1ncu s ARG 18 Ca 0.24 -0.66 0.01 0.00 -0.13 0.00 0.00 55.73 55.18 1ncu s ARG 18 Cb -0.15 -2.73 -0.04 0.00 -1.56 0.00 0.00 34.95 30.47 1ncu s ARG 18 CO 0.14 0.58 -0.05 -0.06 -0.81 0.00 0.00 175.30 175.10 1ncu s PHE 19 N -1.34 0.72 -0.19 5.12 0.08 0.15 -4.93 117.98 117.60 1ncu s PHE 19 Ca 0.28 -0.97 -0.07 0.00 0.12 0.00 0.00 56.93 56.29 1ncu s PHE 19 Cb -0.12 -0.46 0.08 0.00 -0.57 0.00 0.00 43.02 41.95 1ncu s PHE 19 CO 0.20 -0.25 0.40 -1.54 -0.10 0.00 0.00 175.22 173.93 1ncu s SER 20 N -2.96 -0.22 -0.17 1.36 1.04 -1.26 -0.97 113.70 110.52 1ncu s SER 20 Ca 0.09 0.93 0.01 0.00 0.48 0.00 0.00 55.95 57.46 1ncu s SER 20 Cb 0.06 1.18 0.02 0.00 0.10 0.00 0.00 66.02 67.38 1ncu s SER 20 CO -0.07 -0.23 -0.20 0.00 0.98 0.00 0.00 173.24 173.72 1ncu s ASP 22 N 1.18 6.98 -0.03 0.00 1.01 -0.58 -1.69 116.67 123.53 1ncu s ASP 22 Ca 0.02 1.20 -0.02 0.00 0.71 0.00 0.00 52.55 54.46 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 -0.10 0.22 0.07 0.42 0.21 0.00 0.00 175.17 175.98 1ncu s THR 23 N -1.23 -0.02 0.28 -1.27 -4.23 -0.29 -0.78 115.64 108.11 1ncu s THR 23 Ca 0.32 0.06 0.08 0.00 -1.18 0.00 0.00 61.69 60.97 1ncu s THR 23 Cb -0.18 -0.12 -0.03 0.00 1.34 0.00 0.00 72.50 73.51 1ncu s THR 23 CO 0.19 0.02 0.19 -0.62 -0.54 0.00 0.00 174.62 173.87 1ncu s ASP 24 N 0.36 5.27 0.00 3.99 2.15 -0.90 -4.35 116.67 123.19 1ncu s ASP 24 Ca -0.03 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 52.54 1ncu s ASP 24 Cb -0.04 -1.16 0.00 0.00 -0.30 0.00 0.00 42.92 41.42 1ncu s ASP 24 CO -0.01 -0.14 0.00 0.61 -0.17 0.00 0.00 175.17 175.46 1ncu n GLY 25 N -1.19 4.19 3.28 2.66 0.00 -1.26 -2.85 105.19 110.01 1ncu n GLY 25 Ca -0.06 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 1ncu n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ncu s GLU 26 N -2.52 2.45 0.00 1.61 0.41 -1.25 -3.67 118.70 115.73 1ncu s GLU 26 Ca 0.00 -0.91 0.00 0.00 -0.41 0.00 0.00 54.97 53.65 1ncu s GLU 26 Cb 0.00 -2.13 0.00 0.00 -1.78 0.00 0.00 34.13 30.22 1ncu s GLU 26 CO 0.00 0.42 0.00 -0.35 -0.49 0.00 0.00 175.26 174.84 1ncu n PRO 27 N 2.84 -0.26 -1.45 0.39 -0.04 -1.26 -0.57 135.00 134.64 1ncu n PRO 27 Ca -0.17 0.00 -0.56 0.00 -0.04 0.00 0.00 63.50 62.73 1ncu n PRO 27 Cb 0.52 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.91 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 -1.78 0.42 -1.35 0.52 0.31 -1.25 -4.81 118.33 110.39 1ncu n VAL 28 Ca 0.00 -0.11 -0.30 0.00 -0.01 0.00 0.00 64.34 63.92 1ncu n VAL 28 Cb 0.00 0.00 0.24 0.00 -0.91 0.00 0.00 33.84 33.17 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 -0.21 -0.90 0.21 5.55 0.04 -1.24 -4.80 135.00 133.64 1ncu s PRO 29 Ca 0.84 -0.29 0.03 0.00 0.04 0.00 0.00 61.00 61.62 1ncu s PRO 29 Cb -1.18 -1.65 -0.05 0.00 0.04 0.00 0.00 34.50 31.66 1ncu s PRO 29 CO 0.56 -3.46 -0.02 0.99 0.04 0.00 0.00 177.00 175.11 1ncu s THR 30 N -3.32 1.01 0.01 1.26 2.01 -0.36 -4.91 115.64 111.34 1ncu s THR 30 Ca 0.73 -2.03 0.00 0.00 0.31 0.00 0.00 61.69 60.70 1ncu s THR 30 Cb -0.06 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 1ncu s THR 30 CO 0.55 -0.41 -0.03 0.54 -0.69 0.00 0.00 174.62 174.58 1ncu s VAL 31 N -3.43 0.13 -0.20 3.82 0.11 -1.26 -2.92 120.40 116.65 1ncu s VAL 31 Ca 0.26 -0.57 -0.04 0.00 -2.93 0.00 0.00 61.98 58.70 1ncu s VAL 31 Cb 0.05 -0.21 0.09 0.00 -1.53 0.00 0.00 36.38 34.77 1ncu s VAL 31 CO 0.07 -0.28 0.20 -0.89 -3.33 0.00 0.00 175.10 170.87 1ncu s THR 32 N -0.86 -0.29 -0.23 5.04 2.01 -1.16 -4.98 115.64 115.17 1ncu s THR 32 Ca -0.09 -0.12 -0.22 0.00 0.31 0.00 0.00 61.69 61.57 1ncu s THR 32 Cb -0.06 -0.66 -0.02 0.00 0.01 0.00 0.00 72.50 71.78 1ncu s THR 32 CO -0.00 -0.21 0.71 0.26 -0.69 0.00 0.00 174.62 174.69 1ncu s TRP 33 N 2.30 3.32 0.04 4.92 0.52 -1.26 -0.41 118.94 128.37 1ncu s TRP 33 Ca 0.06 0.99 -0.16 0.00 0.02 0.00 0.00 56.10 57.01 1ncu s TRP 33 Cb -0.16 -2.92 0.03 0.00 -1.15 0.00 0.00 33.47 29.27 1ncu s TRP 33 CO -0.12 -0.31 0.36 -0.48 0.02 0.00 0.00 176.95 176.42 1ncu s LEU 34 N 2.45 0.64 0.00 2.99 2.34 -0.34 -2.93 118.68 123.84 1ncu s LEU 34 Ca 0.31 -0.09 0.00 0.00 0.06 0.00 0.00 54.13 54.41 1ncu s LEU 34 Cb -0.16 1.54 0.00 0.00 -0.56 0.00 0.00 46.19 47.02 1ncu s LEU 34 CO 0.09 -0.64 0.63 -1.14 -1.06 0.00 0.00 176.35 174.23 1ncu n ARG 35 N 0.56 0.00 -0.85 1.48 0.00 -1.26 -2.42 116.66 114.16 1ncu n ARG 35 Ca -0.19 -0.33 0.00 0.00 -0.00 0.00 0.00 57.85 57.34 1ncu n ARG 35 Cb 0.60 0.17 0.00 0.00 0.00 0.00 0.00 32.46 33.23 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 0.00 -0.07 -0.08 -0.14 0.00 -1.26 -4.83 118.16 111.78 1ncu n LYS 36 Ca -0.09 0.02 -0.13 0.00 0.00 0.00 0.00 58.31 58.11 1ncu n LYS 36 Cb 0.54 -3.24 -0.09 0.00 0.00 0.00 0.00 35.03 32.23 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 0.00 -4.13 3.14 0.00 -1.94 -3.46 103.07 96.69 1ncu h GLY 37 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1ncu h GLY 37 CO 0.00 0.00 0.15 -0.18 0.00 0.00 0.00 176.54 176.51 1ncu n GLN 38 N -4.58 0.04 -1.83 4.80 -0.06 -1.26 -4.96 117.38 109.53 1ncu n GLN 38 Ca -0.15 -0.31 0.00 0.00 -2.00 0.00 0.00 57.00 54.54 1ncu n GLN 38 Cb 0.43 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.62 1ncu n GLN 38 CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 1ncu n VAL 39 N -0.30 0.00 0.00 1.69 0.24 -1.26 -4.43 118.33 114.27 1ncu n VAL 39 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1ncu n VAL 39 Cb 0.57 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 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 -1.78 0.00 -2.32 1.34 4.32 -1.15 -4.37 117.00 113.03 1ncu n LEU 40 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.94 1ncu n LEU 40 Cb 0.30 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.09 1ncu n LEU 40 CO 0.00 0.00 -0.02 -1.54 -1.22 0.00 0.00 177.39 174.61 1ncu n SER 41 N 2.49 -0.87 -3.44 -1.43 3.41 -1.25 -1.79 113.62 110.74 1ncu n SER 41 Ca 0.00 0.19 -0.26 0.00 -0.26 0.00 0.00 58.87 58.53 1ncu n SER 41 Cb 0.00 -0.84 -0.05 0.00 -0.26 0.00 0.00 64.21 63.06 1ncu n SER 41 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1ncu n THR 42 N -2.13 0.00 -0.06 6.66 5.66 -1.26 -4.67 114.28 118.48 1ncu n THR 42 Ca 0.01 0.00 0.25 0.00 -3.05 0.00 0.00 64.05 61.26 1ncu n THR 42 Cb 0.38 -0.31 0.65 0.00 -1.55 0.00 0.00 70.33 69.50 1ncu n THR 42 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1ncu h SER 43 N -0.54 0.00 0.00 1.09 4.64 -1.59 -3.40 113.55 113.75 1ncu h SER 43 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1ncu h SER 43 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1ncu h SER 43 CO 0.55 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.51 1ncu n ALA 44 N -2.35 0.00 -0.02 5.18 0.00 -1.26 -4.97 120.51 117.09 1ncu n ALA 44 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.63 1ncu n ALA 44 Cb 1.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.35 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 0.69 -3.25 0.00 1.74 -1.26 -4.89 116.66 109.69 1ncu n ARG 45 Ca 0.00 -0.09 -0.20 0.00 -0.77 0.00 0.00 57.85 56.78 1ncu n ARG 45 Cb 0.00 -1.30 0.03 0.00 -1.02 0.00 0.00 32.46 30.17 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 -2.76 1.85 -0.42 -1.55 0.09 -1.26 -0.71 115.29 110.54 1ncu s HIS 46 Ca -0.05 -0.66 0.04 0.00 -0.00 0.00 0.00 55.06 54.39 1ncu s HIS 46 Cb 0.07 -2.18 0.17 0.00 -0.00 0.00 0.00 32.58 30.64 1ncu s HIS 46 CO 0.51 -0.78 0.37 -1.14 -0.00 0.00 0.00 174.74 173.70 1ncu s GLN 47 N -4.48 0.88 0.30 1.40 2.00 -0.94 -4.10 119.66 114.73 1ncu s GLN 47 Ca 0.54 -1.88 0.06 0.00 -2.00 0.00 0.00 55.36 52.08 1ncu s GLN 47 Cb -0.06 -1.22 -0.02 0.00 0.80 0.00 0.00 33.01 32.51 1ncu s GLN 47 CO 0.33 -1.36 0.38 0.54 -0.50 0.00 0.00 175.29 174.68 1ncu s VAL 48 N 0.29 4.29 0.21 1.34 0.11 -1.26 -1.97 120.40 123.40 1ncu s VAL 48 Ca 0.31 -1.11 -0.14 0.00 -2.93 0.00 0.00 61.98 58.11 1ncu s VAL 48 Cb 0.01 -3.47 0.01 0.00 -1.53 0.00 0.00 36.38 31.39 1ncu s VAL 48 CO -0.16 -0.22 0.45 0.28 -3.33 0.00 0.00 175.10 172.12 1ncu s THR 49 N -2.15 0.03 0.12 5.04 -1.32 -0.40 -4.85 115.64 112.09 1ncu s THR 49 Ca 0.40 -1.16 0.02 0.00 -1.21 0.00 0.00 61.69 59.75 1ncu s THR 49 Cb -0.09 -1.87 -0.04 0.00 -1.51 0.00 0.00 72.50 68.99 1ncu s THR 49 CO 0.29 -0.12 -0.07 0.42 -2.21 0.00 0.00 174.62 172.93 1ncu s THR 50 N -3.95 0.80 0.00 5.08 -4.23 -1.26 -2.07 115.64 110.01 1ncu s THR 50 Ca 0.16 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 1ncu s THR 50 Cb 0.00 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 72.07 1ncu s THR 50 CO 0.02 -0.80 0.00 0.41 -0.54 0.00 0.00 174.62 173.71 1ncu n THR 51 N -0.10 0.00 0.00 3.99 -1.04 0.76 -4.94 114.28 112.95 1ncu n THR 51 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1ncu n THR 51 Cb 0.61 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.12 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 4.76 -1.26 -3.96 118.16 114.33 1ncu n LYS 52 Ca 0.00 0.29 0.04 0.00 -2.87 0.00 0.00 58.31 55.77 1ncu n LYS 52 Cb 0.00 -1.04 0.20 0.00 -1.84 0.00 0.00 35.03 32.35 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 -0.90 0.42 -3.74 2.13 4.02 -1.26 -4.03 117.16 113.80 1ncu n TYR 53 Ca 0.00 -1.37 -0.13 0.00 -0.01 0.00 0.00 57.90 56.39 1ncu n TYR 53 Cb 0.00 -0.31 -0.10 0.00 -0.02 0.00 0.00 39.34 38.91 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 -3.13 0.44 0.45 -0.72 -2.85 -1.25 -1.13 119.74 111.54 1ncu s LYS 54 Ca 0.39 0.53 0.06 0.00 -1.00 0.00 0.00 55.97 55.95 1ncu s LYS 54 Cb 0.36 0.21 -0.03 0.00 -2.06 0.00 0.00 37.83 36.31 1ncu s LYS 54 CO -0.01 -0.05 0.22 0.45 0.10 0.00 0.00 175.35 176.05 1ncu s SER 55 N 0.21 4.49 -0.16 0.03 0.15 -0.68 -0.17 113.70 117.56 1ncu s SER 55 Ca -0.00 -1.14 -0.11 0.00 0.70 0.00 0.00 55.95 55.39 1ncu s SER 55 Cb -0.03 -0.21 0.05 0.00 -1.71 0.00 0.00 66.02 64.12 1ncu s SER 55 CO 0.00 -0.70 0.41 0.42 1.20 0.00 0.00 173.24 174.58 1ncu s THR 56 N -2.65 -0.02 -0.12 6.45 -4.23 -0.88 -1.47 115.64 112.72 1ncu s THR 56 Ca 0.37 0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.95 1ncu s THR 56 Cb 0.02 -0.60 0.01 0.00 1.34 0.00 0.00 72.50 73.28 1ncu s THR 56 CO 0.21 0.02 -0.17 0.12 -0.54 0.00 0.00 174.62 174.27 1ncu s PHE 57 N 0.95 2.17 0.01 3.99 5.36 -0.15 -1.28 117.98 129.03 1ncu s PHE 57 Ca -0.06 -1.08 0.05 0.00 -0.96 0.00 0.00 56.93 54.89 1ncu s PHE 57 Cb -0.06 -1.55 -0.02 0.00 -0.34 0.00 0.00 43.02 41.05 1ncu s PHE 57 CO -0.08 -0.54 -0.16 -1.83 -1.46 0.00 0.00 175.22 171.15 1ncu s GLU 58 N 1.03 1.22 -0.16 10.12 4.04 -0.83 0.29 118.70 134.41 1ncu s GLU 58 Ca -0.05 -0.69 -0.00 0.00 0.04 0.00 0.00 54.97 54.27 1ncu s GLU 58 Cb -0.15 -1.22 -0.00 0.00 0.02 0.00 0.00 34.13 32.78 1ncu s GLU 58 CO -0.03 0.32 -0.14 0.42 -1.84 0.00 0.00 175.26 173.99 1ncu s ILE 59 N -0.58 2.76 0.00 1.83 1.01 -0.73 -2.21 121.20 123.28 1ncu s ILE 59 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1ncu s ILE 59 Cb -0.07 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.23 1ncu s ILE 59 CO 0.00 0.51 0.31 -1.20 0.00 0.00 0.00 174.94 174.56 1ncu n SER 60 N 4.08 0.00 0.00 3.58 7.64 -1.26 -3.56 113.62 124.10 1ncu n SER 60 Ca -0.19 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.61 1ncu n SER 60 Cb 0.52 -0.02 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 0.16 -4.59 6.43 2.88 -1.12 -4.59 113.62 112.80 1ncu n SER 61 Ca 0.00 -0.49 -0.52 0.00 -1.33 0.00 0.00 58.87 56.53 1ncu n SER 61 Cb 0.52 0.37 -0.06 0.00 -0.75 0.00 0.00 64.21 64.28 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 -0.37 0.08 0.00 2.46 3.14 0.11 -4.72 118.33 119.04 1ncu n VAL 62 Ca 0.00 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 1ncu n VAL 62 Cb 0.04 -0.81 0.00 0.00 -1.06 0.00 0.00 33.84 32.00 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 2.44 0.00 -1.06 1.45 6.02 -1.26 -3.96 117.38 121.01 1ncu n GLN 63 Ca 0.18 0.06 -0.06 0.00 -0.01 0.00 0.00 57.00 57.17 1ncu n GLN 63 Cb 0.19 -0.74 -0.06 0.00 1.02 0.00 0.00 30.24 30.66 1ncu n GLN 63 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ncu n ALA 64 N -0.67 3.62 -3.16 -1.58 0.00 -1.26 -4.87 120.51 112.59 1ncu n ALA 64 Ca 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 53.44 52.60 1ncu n ALA 64 Cb 0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 19.45 19.07 1ncu n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ncu s SER 65 N -1.11 -1.57 0.00 0.00 0.15 -1.26 -4.72 113.70 105.19 1ncu s SER 65 Ca 0.04 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1ncu s SER 65 Cb 0.04 2.00 0.00 0.00 -1.71 0.00 0.00 66.02 66.36 1ncu s SER 65 CO -0.02 -0.28 0.68 0.47 1.20 0.00 0.00 173.24 175.29 1ncu n ASP 66 N 5.26 0.00 -0.57 5.45 9.92 -1.26 -5.09 116.55 130.26 1ncu n ASP 66 Ca 0.06 -1.45 0.00 0.00 -0.53 0.00 0.00 54.79 52.87 1ncu n ASP 66 Cb 0.54 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 1ncu n ASP 66 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ncu n GLU 67 N 0.00 0.00 -0.02 -1.24 4.71 -1.26 -4.65 120.64 118.17 1ncu n GLU 67 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 1ncu n GLU 67 Cb 0.59 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.98 1ncu n GLU 67 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ncu n GLY 68 N 0.00 -0.24 3.89 0.62 0.00 -1.19 -3.65 105.19 104.63 1ncu n GLY 68 Ca 0.00 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.42 6.31 0.09 1.61 2.47 -1.24 0.30 114.94 121.06 1ncu s ASN 69 Ca -0.02 0.36 -0.14 0.00 0.42 0.00 0.00 52.86 53.48 1ncu s ASN 69 Cb 0.02 -1.98 0.02 0.00 -1.45 0.00 0.00 41.25 37.86 1ncu s ASN 69 CO 0.20 0.30 0.32 -0.31 -3.72 0.00 0.00 177.10 173.89 1ncu s TYR 70 N -1.25 -0.09 0.11 0.43 2.02 -0.70 -4.59 117.35 113.28 1ncu s TYR 70 Ca 0.24 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 1ncu s TYR 70 Cb -0.12 0.14 -0.00 0.00 -0.40 0.00 0.00 41.96 41.57 1ncu s TYR 70 CO 0.15 -0.61 0.14 0.43 -1.57 0.00 0.00 175.55 174.09 1ncu n SER 71 N 0.04 -0.38 -3.39 2.29 7.64 -1.02 -1.93 113.62 116.86 1ncu n SER 71 Ca -0.16 -1.62 -0.09 0.00 1.01 0.00 0.00 58.87 58.00 1ncu n SER 71 Cb 0.62 0.74 -0.08 0.00 -1.01 0.00 0.00 64.21 64.48 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 -0.59 -0.60 0.44 0.11 -0.78 -1.20 120.40 115.25 1ncu s VAL 72 Ca 0.10 -0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 58.90 1ncu s VAL 72 Cb -0.00 -0.78 0.07 0.00 -1.53 0.00 0.00 36.38 34.14 1ncu s VAL 72 CO 0.07 -0.10 0.86 0.68 -3.33 0.00 0.00 175.10 173.28 1ncu s VAL 73 N 2.54 4.52 -0.15 2.04 -7.23 0.45 -1.11 120.40 121.45 1ncu s VAL 73 Ca 0.11 -0.39 -0.21 0.00 -1.81 0.00 0.00 61.98 59.68 1ncu s VAL 73 Cb -0.15 -4.56 -0.03 0.00 0.56 0.00 0.00 36.38 32.20 1ncu s VAL 73 CO -0.15 -1.23 0.62 0.54 -0.31 0.00 0.00 175.10 174.57 1ncu s VAL 74 N 3.56 5.06 0.28 1.32 0.11 0.21 -2.96 120.40 127.98 1ncu s VAL 74 Ca 0.20 1.22 0.03 0.00 -2.93 0.00 0.00 61.98 60.50 1ncu s VAL 74 Cb -0.18 -3.95 -0.04 0.00 -1.53 0.00 0.00 36.38 30.69 1ncu s VAL 74 CO 0.11 0.19 0.18 -1.83 -3.33 0.00 0.00 175.10 170.42 1ncu s GLU 75 N 1.37 1.52 0.00 1.54 -1.05 -1.15 -0.43 118.70 120.51 1ncu s GLU 75 Ca 0.31 -1.86 0.00 0.00 -0.15 0.00 0.00 54.97 53.27 1ncu s GLU 75 Cb -0.16 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.66 1ncu s GLU 75 CO 0.12 -0.49 0.00 0.27 0.95 0.00 0.00 175.26 176.12 1ncu n ASN 76 N -0.90 0.00 0.22 0.83 6.94 -0.88 -1.22 115.26 120.25 1ncu n ASN 76 Ca 0.03 -0.08 0.14 0.00 -0.02 0.00 0.00 54.58 54.65 1ncu n ASN 76 Cb 0.64 0.00 0.56 0.00 -2.36 0.00 0.00 39.78 38.62 1ncu n ASN 76 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1ncu h SER 77 N 0.00 0.00 0.00 0.53 4.64 -1.85 -3.20 113.55 113.68 1ncu h SER 77 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ncu h SER 77 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ncu h SER 77 CO 0.00 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.12 1ncu n GLU 78 N -3.01 0.00 -4.51 4.77 0.00 -1.26 -5.08 120.64 111.55 1ncu n GLU 78 Ca 0.03 -0.03 -0.31 0.00 0.00 0.00 0.00 57.16 56.85 1ncu n GLU 78 Cb 0.72 -0.03 -0.05 0.00 0.00 0.00 0.00 31.44 32.08 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 2.87 -0.32 -1.84 0.00 -1.21 -4.57 107.32 102.25 1ncu s GLY 79 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.26 1ncu s GLY 79 CO 0.00 -2.13 1.09 0.58 0.00 0.00 0.00 173.10 172.64 1ncu n LYS 80 N -1.45 0.26 -2.39 2.90 -0.00 -1.24 -2.07 118.16 114.17 1ncu n LYS 80 Ca -0.15 -0.78 -0.24 0.00 -0.00 0.00 0.00 58.31 57.13 1ncu n LYS 80 Cb 0.66 -0.02 0.07 0.00 -0.00 0.00 0.00 35.03 35.75 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 0.04 2.14 0.29 -1.58 0.74 0.43 -4.81 119.66 116.91 1ncu s GLN 81 Ca 0.05 -0.58 0.01 0.00 0.05 0.00 0.00 55.36 54.90 1ncu s GLN 81 Cb 0.09 -2.28 -0.00 0.00 1.10 0.00 0.00 33.01 31.92 1ncu s GLN 81 CO -0.03 -1.17 0.34 -0.85 -0.55 0.00 0.00 175.29 173.04 1ncu n GLU 82 N -2.77 0.49 -4.08 1.67 0.28 -1.26 0.68 120.64 115.66 1ncu n GLU 82 Ca 0.10 -2.50 -0.10 0.00 -0.16 0.00 0.00 57.16 54.50 1ncu n GLU 82 Cb 0.60 2.26 -0.11 0.00 1.43 0.00 0.00 31.44 35.63 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 -2.78 0.54 -0.06 -1.84 0.00 -0.27 -4.85 121.76 112.50 1ncu s ALA 83 Ca 0.28 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 1ncu s ALA 83 Cb 0.00 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.32 1ncu s ALA 83 CO 0.20 -0.21 0.02 -1.21 0.00 0.00 0.00 175.76 174.55 1ncu s GLU 84 N -2.81 0.36 0.00 0.00 0.41 -1.26 -1.87 118.70 113.52 1ncu s GLU 84 Ca -0.01 0.20 0.00 0.00 -0.41 0.00 0.00 54.97 54.75 1ncu s GLU 84 Cb -0.01 -0.78 0.00 0.00 -1.78 0.00 0.00 34.13 31.56 1ncu s GLU 84 CO -0.04 -0.30 0.00 1.97 -0.49 0.00 0.00 175.26 176.40 1ncu n PHE 85 N 5.13 0.00 -3.71 1.61 -1.74 -0.82 -5.03 117.46 112.90 1ncu n PHE 85 Ca -0.07 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.71 1ncu n PHE 85 Cb 0.50 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.39 1ncu n PHE 85 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1ncu s THR 86 N -1.05 -0.02 -0.08 1.97 -4.23 -1.26 -1.73 115.64 109.24 1ncu s THR 86 Ca 0.00 0.09 0.05 0.00 -1.18 0.00 0.00 61.69 60.65 1ncu s THR 86 Cb 0.00 -0.53 -0.01 0.00 1.34 0.00 0.00 72.50 73.30 1ncu s THR 86 CO 0.00 0.04 -0.23 -0.76 -0.54 0.00 0.00 174.62 173.12 1ncu s LEU 87 N 1.13 2.14 0.37 4.79 2.01 0.86 -2.14 118.68 127.84 1ncu s LEU 87 Ca -0.08 -0.51 0.04 0.00 0.01 0.00 0.00 54.13 53.59 1ncu s LEU 87 Cb -0.08 -1.41 -0.05 0.00 0.01 0.00 0.00 46.19 44.66 1ncu s LEU 87 CO -0.09 0.21 0.07 -0.89 1.01 0.00 0.00 176.35 176.65 1ncu s THR 88 N 0.07 1.09 0.03 5.49 2.01 -1.08 -3.15 115.64 120.11 1ncu s THR 88 Ca -0.10 -2.00 -0.13 0.00 0.31 0.00 0.00 61.69 59.77 1ncu s THR 88 Cb -0.16 -2.65 0.02 0.00 0.01 0.00 0.00 72.50 69.72 1ncu s THR 88 CO 0.06 0.00 0.29 0.27 -0.69 0.00 0.00 174.62 174.55 1ncu s ILE 89 N -3.21 0.08 -0.43 1.82 -5.25 -1.24 -1.73 121.20 111.24 1ncu s ILE 89 Ca 0.31 -0.69 0.10 0.00 -0.99 0.00 0.00 60.65 59.38 1ncu s ILE 89 Cb 0.07 -0.88 0.35 0.00 2.95 0.00 0.00 42.46 44.95 1ncu s ILE 89 CO 0.14 -0.38 0.81 0.00 -1.79 0.00 0.00 174.94 173.73 1ncu n GLN 90 N 0.70 1.71 0.00 0.37 1.13 -0.48 -4.92 117.38 115.89 1ncu n GLN 90 Ca -0.19 -3.85 0.00 0.00 -1.94 0.00 0.00 57.00 51.02 1ncu n GLN 90 Cb 0.59 -1.86 0.00 0.00 0.11 0.00 0.00 30.24 29.07 1ncu n GLN 90 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79