#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 2.90 -0.97 -1.46 3.00 -1.26 -4.48 118.16 115.89 1ncu n LYS -5 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1ncu n LYS -5 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1ncu n LYS -5 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1ncu n THR -4 N 0.00 0.00 -2.62 3.15 -1.04 -1.26 -4.33 114.28 108.18 1ncu n THR -4 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1ncu n THR -4 Cb 0.00 -0.58 -0.03 0.00 -1.82 0.00 0.00 70.33 67.90 1ncu n THR -4 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1ncu n THR -3 N -2.35-10.58 -4.66 12.58 -1.04 -1.26 -5.04 114.28 101.94 1ncu n THR -3 Ca 0.00 2.30 -0.30 0.00 -2.04 0.00 0.00 64.05 64.01 1ncu n THR -3 Cb 0.27 -5.62 -0.09 0.00 -1.82 0.00 0.00 70.33 63.06 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 -0.52 2.64 0.00 -4.42 0.20 -0.65 -4.98 118.68 110.95 1ncu s LEU -2 Ca -0.19 -1.48 0.00 0.00 0.69 0.00 0.00 54.13 53.15 1ncu s LEU -2 Cb 0.01 -0.85 0.00 0.00 -0.43 0.00 0.00 46.19 44.92 1ncu s LEU -2 CO 0.51 -0.63 0.00 0.00 -0.29 0.00 0.00 176.35 175.94 1ncu n ALA -1 N -1.11 0.00 -3.69 5.97 0.00 -1.26 -3.94 120.51 116.48 1ncu n ALA -1 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1ncu n ALA -1 Cb 0.67 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.01 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 -3.63 -1.04 -0.07 0.00 0.00 -1.26 -3.27 121.76 112.48 1ncu s ALA 0 Ca 0.00 1.49 -0.14 0.00 0.00 0.00 0.00 51.96 53.31 1ncu s ALA 0 Cb 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 23.12 22.16 1ncu s ALA 0 CO 0.00 -0.36 0.35 -0.98 0.00 0.00 0.00 175.76 174.77 1ncu s ARG 1 N 1.64 0.57 -0.17 0.00 3.03 -1.07 -3.70 118.95 119.26 1ncu s ARG 1 Ca -0.08 0.14 -0.22 0.00 2.03 0.00 0.00 55.73 57.60 1ncu s ARG 1 Cb -0.09 0.26 -0.02 0.00 -1.03 0.00 0.00 34.95 34.07 1ncu s ARG 1 CO -0.13 -0.13 0.68 0.42 -1.13 0.00 0.00 175.30 175.02 1ncu s ILE 2 N -0.63 4.99 -0.12 4.99 1.01 -1.26 -1.52 121.20 128.66 1ncu s ILE 2 Ca -0.07 1.32 -0.11 0.00 0.00 0.00 0.00 60.65 61.79 1ncu s ILE 2 Cb -0.04 -4.00 -0.26 0.00 0.01 0.00 0.00 42.46 38.17 1ncu s ILE 2 CO 0.03 0.11 0.41 0.25 0.00 0.00 0.00 174.94 175.74 1ncu h LEU 3 N 8.00 0.38 -8.15 2.97 6.46 -1.51 -3.47 115.31 119.99 1ncu h LEU 3 Ca -0.32 -0.88 -0.49 0.00 -0.12 0.00 0.00 57.88 56.07 1ncu h LEU 3 Cb 1.15 -0.12 -0.30 0.00 -0.73 0.00 0.00 40.66 40.65 1ncu h LEU 3 CO 0.79 1.77 -0.81 -0.89 -0.62 0.00 0.00 178.44 178.67 1ncu s THR 4 N -2.52 1.11 0.49 1.05 2.01 -0.71 -4.95 115.64 112.12 1ncu s THR 4 Ca -0.22 -0.57 0.07 0.00 0.31 0.00 0.00 61.69 61.28 1ncu s THR 4 Cb 0.06 -0.95 0.02 0.00 0.01 0.00 0.00 72.50 71.64 1ncu s THR 4 CO 0.75 0.32 0.46 -1.59 -0.69 0.00 0.00 174.62 173.88 1ncu s LYS 5 N -0.09 2.41 0.31 4.92 -2.85 -1.26 -0.16 119.74 123.02 1ncu s LYS 5 Ca 0.01 -1.70 -0.09 0.00 -1.00 0.00 0.00 55.97 53.19 1ncu s LYS 5 Cb -0.08 -2.34 -0.06 0.00 -2.06 0.00 0.00 37.83 33.28 1ncu s LYS 5 CO 0.00 -0.45 0.64 -1.25 0.10 0.00 0.00 175.35 174.39 1ncu s PRO 6 N -4.28 3.75 0.73 1.78 0.04 -1.18 -4.46 135.00 131.38 1ncu s PRO 6 Ca 0.46 0.27 -0.04 0.00 0.04 0.00 0.00 61.00 61.73 1ncu s PRO 6 Cb -0.03 -2.55 0.11 0.00 0.04 0.00 0.00 34.50 32.07 1ncu s PRO 6 CO 0.28 0.16 1.02 0.50 0.04 0.00 0.00 177.00 178.99 1ncu s ARG 7 N -3.42 1.73 0.32 4.56 3.52 -1.26 -4.88 118.95 119.51 1ncu s ARG 7 Ca 0.48 -0.80 0.07 0.00 -0.13 0.00 0.00 55.73 55.35 1ncu s ARG 7 Cb -0.11 -2.25 -0.03 0.00 -1.56 0.00 0.00 34.95 31.01 1ncu s ARG 7 CO 0.27 -1.46 0.25 -1.12 -0.81 0.00 0.00 175.30 172.44 1ncu s SER 8 N -4.68 5.26 0.15 -2.12 0.01 -1.26 -4.79 113.70 106.27 1ncu s SER 8 Ca 0.65 -0.48 -0.05 0.00 1.31 0.00 0.00 55.95 57.38 1ncu s SER 8 Cb -0.07 -1.02 -0.02 0.00 0.21 0.00 0.00 66.02 65.11 1ncu s SER 8 CO 0.45 -0.28 0.18 -0.04 0.41 0.00 0.00 173.24 173.95 1ncu s MET 9 N -3.95 1.06 -0.17 12.44 -1.94 -1.22 -5.02 119.30 120.50 1ncu s MET 9 Ca 0.39 -1.31 -0.07 0.00 -1.71 0.00 0.00 55.69 52.99 1ncu s MET 9 Cb -0.06 0.31 0.07 0.00 2.01 0.00 0.00 34.83 37.17 1ncu s MET 9 CO 0.26 -0.35 0.37 0.99 -0.01 0.00 0.00 175.02 176.28 1ncu s THR 10 N -4.01 -0.36 0.12 2.05 2.01 -1.26 -3.07 115.64 111.11 1ncu s THR 10 Ca 0.21 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.40 1ncu s THR 10 Cb 0.05 -0.58 -0.01 0.00 0.01 0.00 0.00 72.50 71.97 1ncu s THR 10 CO 0.01 0.07 0.09 1.33 -0.69 0.00 0.00 174.62 175.43 1ncu n VAL 11 N 4.95 0.00 -0.02 3.82 0.24 -0.71 -4.94 118.33 121.67 1ncu n VAL 11 Ca -0.14 -0.83 0.08 0.00 -2.04 0.00 0.00 64.34 61.41 1ncu n VAL 11 Cb 0.51 0.40 -0.17 0.00 -1.47 0.00 0.00 33.84 33.12 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 -0.23 0.00 0.00 6.34 4.19 -1.26 0.16 117.16 126.36 1ncu n TYR 12 Ca 0.02 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.23 1ncu n TYR 12 Cb 0.21 -0.54 0.00 0.00 0.49 0.00 0.00 39.34 39.49 1ncu n TYR 12 CO 0.00 0.00 0.00 -0.85 0.91 0.00 0.00 176.86 176.92 1ncu n GLU 13 N -2.30 0.00 -0.92 2.98 0.28 -1.25 -4.19 120.64 115.23 1ncu n GLU 13 Ca -0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.92 1ncu n GLU 13 Cb 0.62 0.00 0.32 0.00 1.43 0.00 0.00 31.44 33.82 1ncu n GLU 13 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ncu n GLY 14 N 0.00 3.27 0.02 -1.84 0.00 -1.26 -4.30 105.19 101.09 1ncu n GLY 14 Ca 0.00 -0.90 0.14 0.00 0.00 0.00 0.00 46.02 45.26 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 0.15 1.03 -1.46 1.61 -0.58 -1.26 -4.27 120.64 115.86 1ncu n GLU 15 Ca 0.34 -0.04 -0.39 0.00 -0.42 0.00 0.00 57.16 56.64 1ncu n GLU 15 Cb 1.26 -1.44 0.03 0.00 -0.57 0.00 0.00 31.44 30.71 1ncu n GLU 15 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1ncu n SER 16 N -0.89 -0.99 -1.48 1.62 2.88 -1.23 -4.92 113.62 108.61 1ncu n SER 16 Ca 0.21 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1ncu n SER 16 Cb 0.11 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 1ncu n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ncu n ALA 17 N -1.37 0.00 -2.53 -1.46 0.00 -1.26 -4.57 120.51 109.32 1ncu n ALA 17 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.31 1ncu n ALA 17 Cb 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.76 1ncu n ALA 17 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1ncu s ARG 18 N 1.83 1.26 0.32 0.00 1.70 -1.26 -3.39 118.95 119.40 1ncu s ARG 18 Ca 0.00 -0.88 0.08 0.00 -0.47 0.00 0.00 55.73 54.46 1ncu s ARG 18 Cb 0.00 -1.34 -0.06 0.00 -0.57 0.00 0.00 34.95 32.98 1ncu s ARG 18 CO 0.00 0.34 -0.07 -0.06 -1.08 0.00 0.00 175.30 174.44 1ncu s PHE 19 N -0.80 2.18 -0.16 5.89 0.08 -0.65 -4.89 117.98 119.64 1ncu s PHE 19 Ca 0.06 -0.62 -0.10 0.00 0.12 0.00 0.00 56.93 56.38 1ncu s PHE 19 Cb -0.08 -1.27 0.05 0.00 -0.57 0.00 0.00 43.02 41.14 1ncu s PHE 19 CO 0.02 0.41 0.39 0.45 -0.10 0.00 0.00 175.22 176.38 1ncu s SER 20 N -3.53 -0.46 -0.15 1.36 0.15 -1.26 -1.43 113.70 108.38 1ncu s SER 20 Ca 0.31 0.82 0.02 0.00 0.70 0.00 0.00 55.95 57.81 1ncu s SER 20 Cb 0.04 0.75 0.01 0.00 -1.71 0.00 0.00 66.02 65.11 1ncu s SER 20 CO 0.14 -0.17 -0.21 0.00 1.20 0.00 0.00 173.24 174.20 1ncu s ASP 22 N 0.95 6.20 -0.13 0.00 1.01 0.77 -1.26 116.67 124.21 1ncu s ASP 22 Ca -0.04 -1.18 -0.04 0.00 0.71 0.00 0.00 52.55 52.00 1ncu s ASP 22 Cb -0.15 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 1ncu s ASP 22 CO -0.05 -1.01 0.04 0.42 0.21 0.00 0.00 175.17 174.78 1ncu s THR 23 N 2.67 4.58 0.43 -1.27 -4.23 0.15 -1.23 115.64 116.75 1ncu s THR 23 Ca 0.13 -0.13 0.08 0.00 -1.18 0.00 0.00 61.69 60.59 1ncu s THR 23 Cb -0.22 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 70.64 1ncu s THR 23 CO 0.09 0.55 0.53 -0.62 -0.54 0.00 0.00 174.62 174.63 1ncu s ASP 24 N -0.38 5.45 0.00 3.99 -1.08 -0.58 -4.13 116.67 119.93 1ncu s ASP 24 Ca 0.08 -0.55 0.00 0.00 -0.52 0.00 0.00 52.55 51.57 1ncu s ASP 24 Cb -0.12 -0.55 0.00 0.00 -1.46 0.00 0.00 42.92 40.79 1ncu s ASP 24 CO 0.02 -0.78 0.00 0.61 0.52 0.00 0.00 175.17 175.54 1ncu n GLY 25 N -1.80 0.82 3.48 2.66 0.00 -1.26 -2.59 105.19 106.50 1ncu n GLY 25 Ca 0.07 -1.38 -0.07 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.87 0.53 0.00 1.61 2.56 -1.20 -4.13 118.70 116.19 1ncu s GLU 26 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 54.97 56.10 1ncu s GLU 26 Cb 0.00 0.30 0.00 0.00 2.00 0.00 0.00 34.13 36.43 1ncu s GLU 26 CO 0.00 -0.18 0.00 -0.35 -0.56 0.00 0.00 175.26 174.17 1ncu n PRO 27 N 4.77 -0.48 -1.47 4.30 -0.04 -1.26 -1.64 135.00 139.18 1ncu n PRO 27 Ca -0.17 0.00 -0.53 0.00 -0.04 0.00 0.00 63.50 62.76 1ncu n PRO 27 Cb 0.54 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.95 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 -1.95 0.94 -1.19 0.52 0.31 -1.26 -4.81 118.33 110.89 1ncu n VAL 28 Ca 0.00 -0.24 -0.29 0.00 -0.01 0.00 0.00 64.34 63.80 1ncu n VAL 28 Cb 0.00 -0.14 0.21 0.00 -0.91 0.00 0.00 33.84 33.00 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 -0.47 -0.40 0.09 5.55 0.04 -1.25 -4.81 135.00 133.76 1ncu s PRO 29 Ca 0.77 0.13 0.07 0.00 0.04 0.00 0.00 61.00 62.01 1ncu s PRO 29 Cb -1.07 -1.67 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 1ncu s PRO 29 CO 0.56 -3.20 -0.18 0.99 0.04 0.00 0.00 177.00 175.20 1ncu s THR 30 N -3.07 1.48 0.03 1.26 2.01 -0.02 -4.91 115.64 112.41 1ncu s THR 30 Ca 0.69 -1.42 0.07 0.00 0.31 0.00 0.00 61.69 61.33 1ncu s THR 30 Cb -0.13 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 1ncu s THR 30 CO 0.56 -0.10 -0.20 0.54 -0.69 0.00 0.00 174.62 174.73 1ncu s VAL 31 N -1.17 1.57 -0.21 3.82 0.11 -1.26 -1.80 120.40 121.46 1ncu s VAL 31 Ca 0.03 -1.09 -0.04 0.00 -2.93 0.00 0.00 61.98 57.96 1ncu s VAL 31 Cb -0.10 -1.36 0.10 0.00 -1.53 0.00 0.00 36.38 33.50 1ncu s VAL 31 CO 0.03 0.23 0.25 -0.89 -3.33 0.00 0.00 175.10 171.39 1ncu s THR 32 N -0.72 -0.37 -0.36 5.04 2.01 -1.18 -4.99 115.64 115.07 1ncu s THR 32 Ca 0.07 -0.12 -0.24 0.00 0.31 0.00 0.00 61.69 61.71 1ncu s THR 32 Cb -0.08 -0.71 0.01 0.00 0.01 0.00 0.00 72.50 71.73 1ncu s THR 32 CO 0.01 -0.20 0.83 0.26 -0.69 0.00 0.00 174.62 174.83 1ncu s TRP 33 N 2.36 3.10 0.11 4.92 0.52 -1.26 -0.65 118.94 128.05 1ncu s TRP 33 Ca 0.08 0.63 -0.17 0.00 0.02 0.00 0.00 56.10 56.65 1ncu s TRP 33 Cb -0.16 -3.47 0.04 0.00 -1.15 0.00 0.00 33.47 28.73 1ncu s TRP 33 CO -0.13 -0.76 0.43 -0.48 0.02 0.00 0.00 176.95 176.03 1ncu s LEU 34 N 3.21 0.27 0.05 2.99 2.34 0.24 -0.81 118.68 126.96 1ncu s LEU 34 Ca 0.33 -0.20 0.00 0.00 0.06 0.00 0.00 54.13 54.32 1ncu s LEU 34 Cb -0.13 1.92 0.00 0.00 -0.56 0.00 0.00 46.19 47.43 1ncu s LEU 34 CO 0.17 -0.83 0.00 -1.14 -1.06 0.00 0.00 176.35 173.49 1ncu n ARG 35 N -0.09 0.00 -0.65 1.48 0.00 -1.26 -2.35 116.66 113.79 1ncu n ARG 35 Ca -0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.67 1ncu n ARG 35 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.08 1ncu n ARG 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1ncu n LYS 36 N -2.57 0.01 -1.18 -0.14 0.00 -1.26 -4.99 118.16 108.03 1ncu n LYS 36 Ca 0.00 -0.14 0.04 0.00 0.00 0.00 0.00 58.31 58.21 1ncu n LYS 36 Cb 0.00 0.47 0.10 0.00 0.00 0.00 0.00 35.03 35.60 1ncu n LYS 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ncu n GLY 37 N -0.02 2.94 3.14 3.14 0.00 -1.26 -5.02 105.19 108.12 1ncu n GLY 37 Ca -0.04 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.26 -1.89 -1.45 1.61 -0.06 -1.26 -4.67 117.38 109.40 1ncu n GLN 38 Ca 0.13 1.65 0.00 0.00 -2.00 0.00 0.00 57.00 56.78 1ncu n GLN 38 Cb 0.94 -4.66 0.00 0.00 -4.06 0.00 0.00 30.24 22.46 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 -1.01 -2.01 0.03 1.69 0.24 -1.26 -4.82 118.33 111.20 1ncu n VAL 39 Ca -0.01 0.93 -0.12 0.00 -2.04 0.00 0.00 64.34 63.10 1ncu n VAL 39 Cb 0.54 -1.24 -0.14 0.00 -1.47 0.00 0.00 33.84 31.54 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 1.83 0.17 -8.04 1.34 4.07 -1.25 -3.38 115.31 110.06 1ncu h LEU 40 Ca 0.00 -0.26 -0.36 0.00 0.08 0.00 0.00 57.88 57.34 1ncu h LEU 40 Cb 0.00 -0.06 -0.10 0.00 1.08 0.00 0.00 40.66 41.58 1ncu h LEU 40 CO 0.00 1.22 1.81 -1.54 -1.08 0.00 0.00 178.44 178.86 1ncu n SER 41 N -3.30 -0.82 -3.29 -0.43 3.41 -1.26 -2.62 113.62 105.30 1ncu n SER 41 Ca -0.13 -0.50 -0.25 0.00 -0.26 0.00 0.00 58.87 57.72 1ncu n SER 41 Cb 1.02 -0.71 -0.05 0.00 -0.26 0.00 0.00 64.21 64.21 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 6.17 0.00 -0.04 6.66 -2.24 -1.26 -4.68 114.28 118.90 1ncu n THR 42 Ca 0.65 0.00 0.24 0.00 -2.27 0.00 0.00 64.05 62.68 1ncu n THR 42 Cb 0.15 -0.29 0.68 0.00 -2.10 0.00 0.00 70.33 68.78 1ncu n THR 42 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1ncu h SER 43 N -0.51 0.00 0.00 3.42 0.87 -1.69 -3.41 113.55 112.24 1ncu h SER 43 Ca -0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1ncu h SER 43 Cb 0.85 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1ncu h SER 43 CO 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.82 1ncu n ALA 44 N -2.39 0.00 -0.51 6.23 0.00 -1.26 -4.96 120.51 117.62 1ncu n ALA 44 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1ncu n ALA 44 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.36 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 -0.96 0.22 -1.91 0.00 1.85 -1.26 -5.08 116.66 109.52 1ncu n ARG 45 Ca 0.00 -0.14 -0.29 0.00 -1.00 0.00 0.00 57.85 56.41 1ncu n ARG 45 Cb 0.00 -0.58 0.14 0.00 -1.05 0.00 0.00 32.46 30.97 1ncu n ARG 45 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1ncu s HIS 46 N -0.07 2.22 -0.36 2.89 3.76 -1.26 -4.03 115.29 118.44 1ncu s HIS 46 Ca 0.00 0.52 0.03 0.00 -0.15 0.00 0.00 55.06 55.46 1ncu s HIS 46 Cb 0.00 -3.82 0.15 0.00 1.11 0.00 0.00 32.58 30.02 1ncu s HIS 46 CO 0.00 -2.26 0.36 -1.14 -0.85 0.00 0.00 174.74 170.85 1ncu s GLN 47 N -5.74 0.60 0.27 1.40 2.00 -0.97 -4.02 119.66 113.20 1ncu s GLN 47 Ca 0.68 -0.80 0.07 0.00 -2.00 0.00 0.00 55.36 53.32 1ncu s GLN 47 Cb -0.07 -0.74 -0.03 0.00 0.80 0.00 0.00 33.01 32.96 1ncu s GLN 47 CO 0.51 -1.18 0.20 0.54 -0.50 0.00 0.00 175.29 174.86 1ncu s VAL 48 N 1.52 4.11 0.12 1.34 0.11 -1.26 -2.08 120.40 124.26 1ncu s VAL 48 Ca 0.16 -1.46 -0.14 0.00 -2.93 0.00 0.00 61.98 57.61 1ncu s VAL 48 Cb -0.15 -3.29 0.03 0.00 -1.53 0.00 0.00 36.38 31.43 1ncu s VAL 48 CO -0.07 -0.31 0.36 0.28 -3.33 0.00 0.00 175.10 172.03 1ncu s THR 49 N -2.20 0.08 -0.15 5.04 -1.32 -0.53 -4.88 115.64 111.69 1ncu s THR 49 Ca 0.35 -0.73 -0.12 0.00 -1.21 0.00 0.00 61.69 59.98 1ncu s THR 49 Cb -0.07 -1.23 0.05 0.00 -1.51 0.00 0.00 72.50 69.74 1ncu s THR 49 CO 0.25 -0.38 0.39 -0.89 -2.21 0.00 0.00 174.62 171.78 1ncu s THR 50 N -3.82 -0.01 0.00 5.08 2.01 -1.26 -1.76 115.64 115.88 1ncu s THR 50 Ca 0.04 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1ncu s THR 50 Cb 0.02 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.97 1ncu s THR 50 CO -0.11 0.01 0.00 0.41 -0.69 0.00 0.00 174.62 174.24 1ncu n THR 51 N 3.36 0.00 -0.00 -0.82 -1.04 -0.88 -5.00 114.28 109.90 1ncu n THR 51 Ca -0.17 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1ncu n THR 51 Cb 0.56 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.07 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 0.02 -0.50 -2.82 4.76 -1.26 -4.78 118.16 113.59 1ncu n LYS 52 Ca 0.00 0.01 0.05 0.00 -2.87 0.00 0.00 58.31 55.49 1ncu n LYS 52 Cb 0.00 -0.46 0.22 0.00 -1.84 0.00 0.00 35.03 32.95 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 -2.59 0.77 -3.66 2.13 4.02 -1.26 -3.76 117.16 112.81 1ncu n TYR 53 Ca -0.01 -1.16 -0.09 0.00 -0.01 0.00 0.00 57.90 56.63 1ncu n TYR 53 Cb 0.02 -0.34 -0.10 0.00 -0.02 0.00 0.00 39.34 38.90 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 -2.99 0.29 0.44 -0.72 -2.85 -1.26 0.30 119.74 112.95 1ncu s LYS 54 Ca 0.41 0.98 0.08 0.00 -1.00 0.00 0.00 55.97 56.43 1ncu s LYS 54 Cb 0.35 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 36.38 1ncu s LYS 54 CO 0.04 -0.25 0.48 0.45 0.10 0.00 0.00 175.35 176.16 1ncu s SER 55 N 2.54 5.21 -0.17 0.03 0.15 -0.39 -2.06 113.70 119.01 1ncu s SER 55 Ca -0.01 -0.69 -0.12 0.00 0.70 0.00 0.00 55.95 55.82 1ncu s SER 55 Cb -0.12 -0.45 0.05 0.00 -1.71 0.00 0.00 66.02 63.80 1ncu s SER 55 CO -0.12 -0.78 0.43 0.42 1.20 0.00 0.00 173.24 174.39 1ncu s THR 56 N -2.48 -0.01 -0.09 6.45 -4.23 -0.72 -1.47 115.64 113.09 1ncu s THR 56 Ca 0.50 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 1ncu s THR 56 Cb -0.05 -0.62 0.02 0.00 1.34 0.00 0.00 72.50 73.19 1ncu s THR 56 CO 0.30 0.02 -0.08 0.12 -0.54 0.00 0.00 174.62 174.44 1ncu s PHE 57 N 0.84 1.35 0.14 3.99 5.36 -0.51 -1.45 117.98 127.69 1ncu s PHE 57 Ca -0.05 -0.59 0.08 0.00 -0.96 0.00 0.00 56.93 55.41 1ncu s PHE 57 Cb -0.06 -1.10 -0.04 0.00 -0.34 0.00 0.00 43.02 41.49 1ncu s PHE 57 CO -0.06 -0.40 -0.19 -1.83 -1.46 0.00 0.00 175.22 171.28 1ncu s GLU 58 N 1.35 1.20 -0.08 10.12 4.04 -0.88 -1.64 118.70 132.81 1ncu s GLU 58 Ca -0.02 -1.31 0.03 0.00 0.04 0.00 0.00 54.97 53.71 1ncu s GLU 58 Cb -0.14 -1.30 0.01 0.00 0.02 0.00 0.00 34.13 32.72 1ncu s GLU 58 CO -0.04 0.28 -0.17 0.42 -1.84 0.00 0.00 175.26 173.91 1ncu s ILE 59 N -1.77 1.47 0.18 1.83 1.01 -1.22 -2.30 121.20 120.40 1ncu s ILE 59 Ca 0.12 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 59.94 1ncu s ILE 59 Cb -0.07 -1.30 0.02 0.00 0.01 0.00 0.00 42.46 41.11 1ncu s ILE 59 CO 0.05 0.43 0.43 -0.44 0.00 0.00 0.00 174.94 175.41 1ncu s SER 60 N 0.50 -0.15 0.00 3.58 0.01 -1.26 -3.51 113.70 112.88 1ncu s SER 60 Ca -0.15 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.51 1ncu s SER 60 Cb -0.16 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1ncu s SER 60 CO 0.05 -0.98 0.00 -0.24 0.41 0.00 0.00 173.24 172.49 1ncu n SER 61 N -0.28 -5.07 -4.02 2.44 2.88 -1.26 -4.52 113.62 103.78 1ncu n SER 61 Ca -0.10 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.14 1ncu n SER 61 Cb 0.63 -3.00 0.11 0.00 -0.75 0.00 0.00 64.21 61.19 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 -2.12 0.00 0.00 2.46 3.14 -1.26 -4.88 118.33 115.66 1ncu n VAL 62 Ca 0.00 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 1ncu n VAL 62 Cb 0.39 -0.33 0.00 0.00 -1.06 0.00 0.00 33.84 32.84 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 -0.17 0.00 -1.61 1.45 1.13 -1.26 -4.74 117.38 112.18 1ncu n GLN 63 Ca 0.01 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1ncu n GLN 63 Cb 0.58 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.94 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 -1.56 -1.50 -2.68 -1.58 0.00 -1.26 -5.00 120.51 106.92 1ncu n ALA 64 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 1ncu n ALA 64 Cb 0.00 -0.53 0.09 0.00 0.00 0.00 0.00 19.45 19.01 1ncu n ALA 64 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ncu n SER 65 N -0.16 -1.57 -0.02 0.00 7.64 -1.26 -5.00 113.62 113.25 1ncu n SER 65 Ca -0.02 -2.17 0.02 0.00 1.01 0.00 0.00 58.87 57.71 1ncu n SER 65 Cb 0.54 1.11 0.03 0.00 -1.01 0.00 0.00 64.21 64.88 1ncu n SER 65 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ncu n ASP 66 N 1.10 2.02 -1.38 6.43 8.00 -1.26 -5.11 116.55 126.35 1ncu n ASP 66 Ca 0.01 -2.22 0.18 0.00 0.71 0.00 0.00 54.79 53.46 1ncu n ASP 66 Cb 0.71 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.67 1ncu n ASP 66 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ncu n GLU 67 N -0.70 -2.71 -0.03 -1.24 1.02 -1.26 -4.69 120.64 111.03 1ncu n GLU 67 Ca 0.04 1.79 0.02 0.00 -0.02 0.00 0.00 57.16 58.98 1ncu n GLU 67 Cb 0.35 -3.31 -0.11 0.00 -0.02 0.00 0.00 31.44 28.35 1ncu n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ncu n GLY 68 N -3.99 -0.66 3.86 0.62 0.00 -1.18 -3.89 105.19 99.95 1ncu n GLY 68 Ca 0.01 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 1ncu n GLY 68 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ncu s ASN 69 N -4.07 6.28 0.11 1.61 -0.87 -1.24 0.34 114.94 117.09 1ncu s ASN 69 Ca -0.06 0.43 -0.14 0.00 -1.57 0.00 0.00 52.86 51.52 1ncu s ASN 69 Cb 0.07 -2.01 0.02 0.00 -0.02 0.00 0.00 41.25 39.32 1ncu s ASN 69 CO 0.58 0.39 0.34 -0.31 -2.57 0.00 0.00 177.10 175.53 1ncu s TYR 70 N -1.04 -0.10 0.07 2.20 2.02 -0.72 -4.58 117.35 115.19 1ncu s TYR 70 Ca 0.16 -0.22 -0.00 0.00 -0.37 0.00 0.00 57.07 56.64 1ncu s TYR 70 Cb -0.12 0.16 0.00 0.00 -0.40 0.00 0.00 41.96 41.60 1ncu s TYR 70 CO 0.05 -0.64 0.10 -1.13 -1.57 0.00 0.00 175.55 172.36 1ncu n SER 71 N -0.09 -0.27 -3.41 2.29 3.41 -0.99 -2.23 113.62 112.34 1ncu n SER 71 Ca -0.16 -1.42 -0.14 0.00 -0.26 0.00 0.00 58.87 56.90 1ncu n SER 71 Cb 0.63 0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 64.99 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 -2.47 -0.47 -0.66 -3.33 0.11 -0.82 -0.59 120.40 112.16 1ncu s VAL 72 Ca 0.07 -0.15 -0.21 0.00 -2.93 0.00 0.00 61.98 58.75 1ncu s VAL 72 Cb -0.00 -0.79 0.08 0.00 -1.53 0.00 0.00 36.38 34.14 1ncu s VAL 72 CO 0.05 -0.21 0.90 0.68 -3.33 0.00 0.00 175.10 173.19 1ncu s VAL 73 N 2.44 4.50 -0.22 2.04 -7.23 0.18 -1.07 120.40 121.04 1ncu s VAL 73 Ca 0.10 -0.64 -0.21 0.00 -1.81 0.00 0.00 61.98 59.42 1ncu s VAL 73 Cb -0.15 -4.64 -0.02 0.00 0.56 0.00 0.00 36.38 32.13 1ncu s VAL 73 CO -0.17 -1.37 0.63 0.54 -0.31 0.00 0.00 175.10 174.42 1ncu s VAL 74 N 3.56 5.01 0.20 1.32 0.11 0.20 -3.08 120.40 127.72 1ncu s VAL 74 Ca 0.20 1.17 -0.04 0.00 -2.93 0.00 0.00 61.98 60.38 1ncu s VAL 74 Cb -0.18 -3.94 -0.03 0.00 -1.53 0.00 0.00 36.38 30.70 1ncu s VAL 74 CO 0.08 0.08 0.21 -1.83 -3.33 0.00 0.00 175.10 170.30 1ncu s GLU 75 N 2.13 1.26 0.00 1.54 1.03 -0.74 -0.79 118.70 123.12 1ncu s GLU 75 Ca 0.28 -1.51 0.00 0.00 0.03 0.00 0.00 54.97 53.77 1ncu s GLU 75 Cb -0.16 0.32 0.00 0.00 -0.80 0.00 0.00 34.13 33.49 1ncu s GLU 75 CO 0.10 -0.44 0.00 -1.71 -1.33 0.00 0.00 175.26 171.88 1ncu n ASN 76 N -0.28 4.11 -0.24 0.83 5.15 -0.75 -0.84 115.26 123.24 1ncu n ASN 76 Ca 0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.95 1ncu n ASN 76 Cb 0.65 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.88 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 -0.51 -0.64 1.20 3.41 -1.26 -3.55 113.62 112.27 1ncu n SER 77 Ca 0.00 1.05 -0.01 0.00 -0.26 0.00 0.00 58.87 59.66 1ncu n SER 77 Cb 0.00 -0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 63.75 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 -4.81 0.00 -4.14 4.33 0.00 -1.26 -5.08 120.64 109.67 1ncu n GLU 78 Ca 0.04 -0.52 -0.22 0.00 0.00 0.00 0.00 57.16 56.46 1ncu n GLU 78 Cb 0.20 -0.05 -0.05 0.00 0.00 0.00 0.00 31.44 31.54 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 -0.52 1.53 -0.42 -1.84 0.00 -1.23 -4.68 107.32 100.16 1ncu s GLY 79 Ca 0.02 -1.52 0.09 0.00 0.00 0.00 0.00 44.72 43.31 1ncu s GLY 79 CO -0.01 -1.55 1.20 0.58 0.00 0.00 0.00 173.10 173.32 1ncu n LYS 80 N -1.11 1.11 -2.48 2.90 -0.00 -1.24 -1.81 118.16 115.53 1ncu n LYS 80 Ca -0.07 -2.05 -0.24 0.00 -0.00 0.00 0.00 58.31 55.95 1ncu n LYS 80 Cb 0.58 -0.61 0.04 0.00 -0.00 0.00 0.00 35.03 35.04 1ncu n LYS 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1ncu s GLN 81 N -0.14 2.64 0.18 -1.58 0.74 0.03 -4.86 119.66 116.67 1ncu s GLN 81 Ca 0.23 -0.33 -0.02 0.00 0.05 0.00 0.00 55.36 55.29 1ncu s GLN 81 Cb 0.36 -2.34 0.01 0.00 1.10 0.00 0.00 33.01 32.14 1ncu s GLN 81 CO -0.06 -0.80 0.27 -0.85 -0.55 0.00 0.00 175.29 173.30 1ncu n GLU 82 N -2.55 0.40 -3.95 1.67 -0.00 -1.26 0.58 120.64 115.52 1ncu n GLU 82 Ca 0.06 -1.33 -0.09 0.00 -0.00 0.00 0.00 57.16 55.80 1ncu n GLU 82 Cb 0.59 1.35 -0.09 0.00 -0.00 0.00 0.00 31.44 33.28 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 -2.03 0.04 -0.03 -1.84 0.00 -0.23 -4.88 121.76 112.79 1ncu s ALA 83 Ca 0.13 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.42 1ncu s ALA 83 Cb -0.01 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.40 1ncu s ALA 83 CO 0.09 -0.34 -0.05 -1.21 0.00 0.00 0.00 175.76 174.26 1ncu s GLU 84 N -2.90 0.72 0.00 0.00 0.41 -1.26 -1.95 118.70 113.72 1ncu s GLU 84 Ca -0.03 -0.13 0.00 0.00 -0.41 0.00 0.00 54.97 54.41 1ncu s GLU 84 Cb 0.01 -0.73 0.00 0.00 -1.78 0.00 0.00 34.13 31.63 1ncu s GLU 84 CO -0.06 -0.03 0.00 1.97 -0.49 0.00 0.00 175.26 176.65 1ncu n PHE 85 N 3.76 -0.46 -3.75 1.61 1.16 -0.95 -5.04 117.46 113.80 1ncu n PHE 85 Ca -0.23 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.22 1ncu n PHE 85 Cb 0.52 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.26 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 -2.48 -0.04 -0.12 1.97 -4.23 -1.26 -1.75 115.64 107.73 1ncu s THR 86 Ca 0.00 0.15 0.02 0.00 -1.18 0.00 0.00 61.69 60.68 1ncu s THR 86 Cb 0.00 -0.30 -0.01 0.00 1.34 0.00 0.00 72.50 73.54 1ncu s THR 86 CO 0.00 0.06 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.19 1ncu s LEU 87 N 1.12 2.37 0.34 4.79 2.01 1.04 -3.44 118.68 126.91 1ncu s LEU 87 Ca -0.08 -0.46 0.06 0.00 0.01 0.00 0.00 54.13 53.65 1ncu s LEU 87 Cb -0.10 -1.51 -0.07 0.00 0.01 0.00 0.00 46.19 44.53 1ncu s LEU 87 CO -0.06 0.15 0.01 -0.89 1.01 0.00 0.00 176.35 176.56 1ncu s THR 88 N 0.42 1.59 -0.10 5.49 2.01 -1.18 -3.12 115.64 120.75 1ncu s THR 88 Ca -0.14 -2.04 0.20 0.00 0.31 0.00 0.00 61.69 60.02 1ncu s THR 88 Cb -0.17 -2.76 0.44 0.00 0.01 0.00 0.00 72.50 70.02 1ncu s THR 88 CO 0.06 -0.09 1.18 2.30 -0.69 0.00 0.00 174.62 177.39 1ncu n ILE 89 N -0.75 0.93 -3.50 1.82 -0.00 -1.03 -1.74 119.36 115.09 1ncu n ILE 89 Ca -0.04 -2.03 -0.16 0.00 -0.00 0.00 0.00 62.75 60.52 1ncu n ILE 89 Cb 0.66 0.54 -0.05 0.00 -0.00 0.00 0.00 39.64 40.79 1ncu n ILE 89 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.55 174.97 1ncu s GLN 90 N -1.53 1.11 0.00 6.28 2.00 0.41 -3.91 119.66 124.03 1ncu s GLN 90 Ca 0.35 -0.02 0.00 0.00 -2.00 0.00 0.00 55.36 53.69 1ncu s GLN 90 Cb 0.38 0.52 0.00 0.00 0.80 0.00 0.00 33.01 34.71 1ncu s GLN 90 CO -0.12 -0.40 0.22 1.17 -0.50 0.00 0.00 175.29 175.67