#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 -2.45 -1.46 5.02 -1.26 -3.93 118.16 114.08 1ncu n LYS -5 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1ncu n LYS -5 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.08 1ncu n LYS -5 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1ncu n THR -4 N 0.00 0.44 -1.06 -0.18 5.66 -1.26 -4.55 114.28 113.34 1ncu n THR -4 Ca 0.00 -1.56 0.10 0.00 -3.05 0.00 0.00 64.05 59.54 1ncu n THR -4 Cb 0.00 1.05 0.16 0.00 -1.55 0.00 0.00 70.33 70.00 1ncu n THR -4 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1ncu n THR -3 N -0.89 1.96 -3.95 1.09 5.66 -1.25 -4.36 114.28 112.55 1ncu n THR -3 Ca -0.08 -2.20 -0.25 0.00 -3.05 0.00 0.00 64.05 58.46 1ncu n THR -3 Cb 0.85 -0.24 -0.03 0.00 -1.55 0.00 0.00 70.33 69.36 1ncu n THR -3 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1ncu s LEU -2 N -2.87 2.88 0.00 1.09 0.20 -1.22 -5.03 118.68 113.73 1ncu s LEU -2 Ca 0.34 -1.16 0.00 0.00 0.69 0.00 0.00 54.13 54.00 1ncu s LEU -2 Cb 0.29 -1.36 0.00 0.00 -0.43 0.00 0.00 46.19 44.70 1ncu s LEU -2 CO 0.04 -0.88 0.00 0.00 -0.29 0.00 0.00 176.35 175.22 1ncu n ALA -1 N -1.57 0.00 -3.76 5.97 0.00 -1.26 -4.09 120.51 115.80 1ncu n ALA -1 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 1ncu n ALA -1 Cb 0.64 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.93 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 -3.16 0.12 0.00 0.00 0.00 -1.26 -2.51 121.76 114.94 1ncu s ALA 0 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1ncu s ALA 0 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.84 1ncu s ALA 0 CO 0.00 -0.13 0.00 2.89 0.00 0.00 0.00 175.76 178.52 1ncu n ARG 1 N 4.25 1.06 -3.90 0.00 1.85 -0.88 -3.34 116.66 115.69 1ncu n ARG 1 Ca -0.26 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.37 1ncu n ARG 1 Cb 0.50 0.00 -0.17 0.00 -1.05 0.00 0.00 32.46 31.74 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 -1.10 0.41 -0.08 8.89 1.01 -1.26 -3.45 121.20 125.61 1ncu s ILE 2 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.65 1ncu s ILE 2 Cb 0.00 -0.52 -0.27 0.00 0.01 0.00 0.00 42.46 41.68 1ncu s ILE 2 CO 0.00 0.24 0.51 0.25 0.00 0.00 0.00 174.94 175.94 1ncu h LEU 3 N 7.90 0.40 -7.74 2.97 6.46 -1.50 -3.47 115.31 120.33 1ncu h LEU 3 Ca -0.27 -0.79 -0.25 0.00 -0.12 0.00 0.00 57.88 56.44 1ncu h LEU 3 Cb 1.13 -0.13 -0.29 0.00 -0.73 0.00 0.00 40.66 40.65 1ncu h LEU 3 CO 0.34 1.70 -0.73 -0.89 -0.62 0.00 0.00 178.44 178.24 1ncu s THR 4 N -2.57 0.07 0.44 1.05 2.01 -0.82 -4.95 115.64 110.87 1ncu s THR 4 Ca -0.18 -0.02 0.07 0.00 0.31 0.00 0.00 61.69 61.88 1ncu s THR 4 Cb 0.07 -0.08 -0.01 0.00 0.01 0.00 0.00 72.50 72.48 1ncu s THR 4 CO 0.80 0.03 0.38 -0.54 -0.69 0.00 0.00 174.62 174.60 1ncu s LYS 5 N 0.09 2.47 0.27 4.92 1.02 -1.26 -0.31 119.74 126.94 1ncu s LYS 5 Ca -0.01 -1.62 -0.19 0.00 0.02 0.00 0.00 55.97 54.17 1ncu s LYS 5 Cb -0.02 -2.32 -0.09 0.00 -0.52 0.00 0.00 37.83 34.89 1ncu s LYS 5 CO -0.00 -0.25 0.77 -1.25 -0.92 0.00 0.00 175.35 173.69 1ncu s PRO 6 N -4.14 4.23 0.55 -1.68 0.04 -1.26 -4.59 135.00 128.15 1ncu s PRO 6 Ca 0.46 0.89 -0.03 0.00 0.04 0.00 0.00 61.00 62.36 1ncu s PRO 6 Cb -0.02 -2.72 0.01 0.00 0.04 0.00 0.00 34.50 31.81 1ncu s PRO 6 CO 0.27 0.30 0.82 -0.98 0.04 0.00 0.00 177.00 177.44 1ncu s ARG 7 N -2.30 2.87 0.64 4.56 1.70 -1.26 -4.80 118.95 120.35 1ncu s ARG 7 Ca 0.48 -0.27 0.05 0.00 -0.47 0.00 0.00 55.73 55.51 1ncu s ARG 7 Cb -0.15 -2.39 0.11 0.00 -0.57 0.00 0.00 34.95 31.95 1ncu s ARG 7 CO 0.20 -0.60 0.88 -1.12 -1.08 0.00 0.00 175.30 173.58 1ncu s SER 8 N -4.30 4.75 0.23 -2.89 0.01 -1.26 -4.88 113.70 105.36 1ncu s SER 8 Ca 0.53 -0.63 -0.21 0.00 1.31 0.00 0.00 55.95 56.95 1ncu s SER 8 Cb -0.10 0.16 0.07 0.00 0.21 0.00 0.00 66.02 66.36 1ncu s SER 8 CO 0.42 -1.58 0.97 -0.32 0.41 0.00 0.00 173.24 173.13 1ncu s MET 9 N -4.88 1.53 -0.18 12.44 1.75 -1.16 -4.99 119.30 123.81 1ncu s MET 9 Ca 0.64 -0.97 -0.09 0.00 -1.25 0.00 0.00 55.69 54.01 1ncu s MET 9 Cb -0.05 0.44 0.06 0.00 2.84 0.00 0.00 34.83 38.12 1ncu s MET 9 CO 0.41 -0.72 0.42 0.99 -0.65 0.00 0.00 175.02 175.48 1ncu s THR 10 N -2.33 -0.11 0.00 10.11 2.01 -1.26 -2.81 115.64 121.25 1ncu s THR 10 Ca 0.19 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.29 1ncu s THR 10 Cb -0.03 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.85 1ncu s THR 10 CO 0.07 0.04 0.00 1.33 -0.69 0.00 0.00 174.62 175.37 1ncu n VAL 11 N 4.42 0.00 -0.06 3.82 0.24 -0.69 -4.95 118.33 121.11 1ncu n VAL 11 Ca -0.21 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 61.98 1ncu n VAL 11 Cb 0.55 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.77 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 0.57 0.00 6.34 9.36 -1.26 -2.17 117.16 130.00 1ncu n TYR 12 Ca 0.00 0.19 0.00 0.00 3.32 0.00 0.00 57.90 61.41 1ncu n TYR 12 Cb 0.00 -1.10 0.00 0.00 -0.63 0.00 0.00 39.34 37.61 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 -3.00 0.00 -2.52 2.98 0.28 -1.26 -2.26 120.64 114.86 1ncu n GLU 13 Ca -0.27 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.51 1ncu n GLU 13 Cb 1.09 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.96 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 4.79 0.00 -1.84 0.00 -1.16 -4.76 105.19 102.21 1ncu n GLY 14 Ca 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.37 0.00 -1.37 1.61 1.02 -1.26 -3.58 120.64 116.69 1ncu n GLU 15 Ca 0.31 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 57.12 1ncu n GLU 15 Cb 0.71 -0.58 0.09 0.00 -0.02 0.00 0.00 31.44 31.64 1ncu n GLU 15 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ncu n SER 16 N -0.18 7.02 -4.01 1.62 3.41 -1.26 -4.83 113.62 115.39 1ncu n SER 16 Ca 0.00 -3.77 -0.43 0.00 -0.26 0.00 0.00 58.87 54.41 1ncu n SER 16 Cb 0.00 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 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 -0.93 5.00 -2.77 7.33 0.00 -1.26 -4.97 120.51 122.91 1ncu n ALA 17 Ca 0.61 -4.29 -0.36 0.00 0.00 0.00 0.00 53.44 49.40 1ncu n ALA 17 Cb 0.79 -3.01 -0.08 0.00 0.00 0.00 0.00 19.45 17.15 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 0.71 3.22 0.03 0.00 0.52 -1.26 -1.89 118.95 120.29 1ncu s ARG 18 Ca 0.40 -0.30 -0.00 0.00 -0.52 0.00 0.00 55.73 55.31 1ncu s ARG 18 Cb 0.07 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.54 1ncu s ARG 18 CO 0.00 0.70 -0.03 -0.06 0.02 0.00 0.00 175.30 175.93 1ncu s PHE 19 N -0.84 0.36 -0.22 -0.53 0.08 0.46 -4.82 117.98 112.47 1ncu s PHE 19 Ca 0.13 -0.73 -0.05 0.00 0.12 0.00 0.00 56.93 56.41 1ncu s PHE 19 Cb -0.12 -0.27 0.11 0.00 -0.57 0.00 0.00 43.02 42.18 1ncu s PHE 19 CO 0.03 -0.26 0.41 -1.12 -0.10 0.00 0.00 175.22 174.18 1ncu s SER 20 N -2.00 -0.12 -0.21 1.36 0.01 -1.26 -0.79 113.70 110.69 1ncu s SER 20 Ca -0.07 0.68 -0.05 0.00 1.31 0.00 0.00 55.95 57.82 1ncu s SER 20 Cb -0.03 1.30 -0.02 0.00 0.21 0.00 0.00 66.02 67.48 1ncu s SER 20 CO -0.04 -0.26 0.00 0.00 0.41 0.00 0.00 173.24 173.35 1ncu s ASP 22 N 1.18 6.95 -0.02 0.00 1.01 0.57 -1.67 116.67 124.69 1ncu s ASP 22 Ca 0.03 1.13 0.01 0.00 0.71 0.00 0.00 52.55 54.43 1ncu s ASP 22 Cb -0.14 -2.33 0.01 0.00 1.01 0.00 0.00 42.92 41.47 1ncu s ASP 22 CO 0.01 0.22 -0.02 0.42 0.21 0.00 0.00 175.17 176.01 1ncu s THR 23 N -0.72 0.27 0.14 -1.27 -4.23 -0.28 -1.19 115.64 108.37 1ncu s THR 23 Ca 0.28 -0.06 0.05 0.00 -1.18 0.00 0.00 61.69 60.78 1ncu s THR 23 Cb -0.18 -0.30 -0.04 0.00 1.34 0.00 0.00 72.50 73.32 1ncu s THR 23 CO 0.16 0.12 0.11 -1.81 -0.54 0.00 0.00 174.62 172.67 1ncu s ASP 24 N 0.47 5.47 0.00 3.99 1.11 -1.22 -4.31 116.67 122.17 1ncu s ASP 24 Ca -0.05 -0.11 0.00 0.00 0.18 0.00 0.00 52.55 52.57 1ncu s ASP 24 Cb -0.08 -1.42 0.00 0.00 1.07 0.00 0.00 42.92 42.49 1ncu s ASP 24 CO -0.01 0.10 0.00 0.61 1.18 0.00 0.00 175.17 177.05 1ncu n GLY 25 N -0.09 2.71 2.97 0.21 0.00 -1.26 -2.08 105.19 107.65 1ncu n GLY 25 Ca -0.09 -1.26 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.08 0.19 0.00 1.61 0.41 -1.05 -4.43 118.70 113.36 1ncu s GLU 26 Ca 0.00 -0.19 0.00 0.00 -0.41 0.00 0.00 54.97 54.37 1ncu s GLU 26 Cb 0.00 0.08 0.00 0.00 -1.78 0.00 0.00 34.13 32.43 1ncu s GLU 26 CO 0.00 -0.03 0.00 -0.35 -0.49 0.00 0.00 175.26 174.39 1ncu n PRO 27 N 2.41 -0.26 -1.51 0.39 -0.04 -1.26 -3.39 135.00 131.35 1ncu n PRO 27 Ca -0.17 0.00 -0.60 0.00 -0.04 0.00 0.00 63.50 62.69 1ncu n PRO 27 Cb 0.58 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.94 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 -1.89 0.09 -1.11 0.52 0.31 -1.26 -4.81 118.33 110.19 1ncu n VAL 28 Ca 0.00 -0.05 -0.29 0.00 -0.01 0.00 0.00 64.34 63.98 1ncu n VAL 28 Cb 0.00 -0.84 0.21 0.00 -0.91 0.00 0.00 33.84 32.30 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 4.75 -0.37 0.40 5.55 0.04 -1.26 -4.90 135.00 139.21 1ncu s PRO 29 Ca 1.10 0.25 0.01 0.00 0.04 0.00 0.00 61.00 62.40 1ncu s PRO 29 Cb -1.31 -1.67 -0.00 0.00 0.04 0.00 0.00 34.50 31.56 1ncu s PRO 29 CO 0.67 -3.21 0.04 -2.37 0.04 0.00 0.00 177.00 172.17 1ncu n THR 30 N -4.47 0.00 -3.96 1.26 5.66 -0.86 -4.83 114.28 107.08 1ncu n THR 30 Ca 0.08 -2.01 -0.09 0.00 -3.05 0.00 0.00 64.05 58.98 1ncu n THR 30 Cb 0.58 0.51 -0.11 0.00 -1.55 0.00 0.00 70.33 69.76 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 -2.64 0.11 -0.22 1.08 0.11 -1.26 -3.64 120.40 113.94 1ncu s VAL 31 Ca 0.06 -0.91 -0.03 0.00 -2.93 0.00 0.00 61.98 58.16 1ncu s VAL 31 Cb 0.00 -0.36 0.10 0.00 -1.53 0.00 0.00 36.38 34.60 1ncu s VAL 31 CO 0.04 -0.50 0.23 -0.89 -3.33 0.00 0.00 175.10 170.65 1ncu s THR 32 N -1.58 -0.33 -0.30 5.04 2.01 -1.17 -4.97 115.64 114.34 1ncu s THR 32 Ca -0.15 -0.21 -0.22 0.00 0.31 0.00 0.00 61.69 61.43 1ncu s THR 32 Cb -0.09 -0.75 -0.00 0.00 0.01 0.00 0.00 72.50 71.67 1ncu s THR 32 CO -0.01 -0.27 0.71 0.26 -0.69 0.00 0.00 174.62 174.62 1ncu s TRP 33 N 2.33 3.22 0.02 4.92 0.52 -1.26 -0.53 118.94 128.15 1ncu s TRP 33 Ca 0.08 0.73 -0.19 0.00 0.02 0.00 0.00 56.10 56.73 1ncu s TRP 33 Cb -0.15 -3.09 0.04 0.00 -1.15 0.00 0.00 33.47 29.11 1ncu s TRP 33 CO -0.17 -0.51 0.43 -0.48 0.02 0.00 0.00 176.95 176.25 1ncu s LEU 34 N 2.78 0.33 0.00 2.99 2.34 0.32 -2.52 118.68 124.91 1ncu s LEU 34 Ca 0.29 0.14 0.00 0.00 0.06 0.00 0.00 54.13 54.62 1ncu s LEU 34 Cb -0.15 1.76 0.00 0.00 -0.56 0.00 0.00 46.19 47.25 1ncu s LEU 34 CO 0.12 -0.60 0.00 -1.14 -1.06 0.00 0.00 176.35 173.66 1ncu n ARG 35 N 0.75 0.00 0.00 1.48 0.00 -1.26 -2.65 116.66 114.98 1ncu n ARG 35 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.66 1ncu n ARG 35 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 32.46 32.98 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 -1.97 0.00 -1.52 -0.14 4.81 -1.26 -4.99 118.16 113.09 1ncu n LYS 36 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 1ncu n LYS 36 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 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 4.35 0.38 3.14 0.00 -1.26 -4.90 105.19 106.89 1ncu n GLY 37 Ca 0.00 -1.73 0.03 0.00 0.00 0.00 0.00 46.02 44.33 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 2.03 -0.91 0.00 1.61 -0.06 -1.26 -4.31 117.38 114.47 1ncu n GLN 38 Ca 0.58 0.74 0.00 0.00 -2.00 0.00 0.00 57.00 56.32 1ncu n GLN 38 Cb 0.46 -1.02 0.00 0.00 -4.06 0.00 0.00 30.24 25.62 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 -2.41 0.55 0.00 1.69 0.24 -1.26 -4.13 118.33 113.00 1ncu n VAL 39 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1ncu n VAL 39 Cb 0.17 -0.75 0.00 0.00 -1.47 0.00 0.00 33.84 31.79 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 0.56 0.00 -3.08 1.34 4.32 -1.05 -4.12 117.00 114.97 1ncu n LEU 40 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.80 1ncu n LEU 40 Cb 0.31 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.10 1ncu n LEU 40 CO 0.00 0.00 -0.07 -1.20 -1.22 0.00 0.00 177.39 174.90 1ncu n SER 41 N 6.31 -3.49 -2.49 -1.43 7.64 -1.26 -3.81 113.62 115.10 1ncu n SER 41 Ca 0.00 -0.19 -0.02 0.00 1.01 0.00 0.00 58.87 59.67 1ncu n SER 41 Cb 0.00 -2.93 -0.02 0.00 -1.01 0.00 0.00 64.21 60.25 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 -3.68-11.24 0.00 0.44 -2.24 -1.26 -4.91 114.28 91.39 1ncu n THR 42 Ca -0.04 2.54 0.00 0.00 -2.27 0.00 0.00 64.05 64.28 1ncu n THR 42 Cb 0.55 -5.64 0.00 0.00 -2.10 0.00 0.00 70.33 63.14 1ncu n THR 42 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ncu n SER 43 N 1.87 2.94 0.00 3.42 2.88 -1.25 -5.02 113.62 118.47 1ncu n SER 43 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1ncu n SER 43 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1ncu n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ncu n ALA 44 N -2.60 0.00 -0.02 -1.46 0.00 -1.26 -4.97 120.51 110.20 1ncu n ALA 44 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1ncu n ALA 44 Cb 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.81 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 -4.52 0.00 1.74 -1.26 -4.84 116.66 108.51 1ncu n ARG 45 Ca 0.00 -0.12 -0.25 0.00 -0.77 0.00 0.00 57.85 56.71 1ncu n ARG 45 Cb 0.00 -1.38 -0.10 0.00 -1.02 0.00 0.00 32.46 29.95 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 -2.95 2.35 -0.11 -1.55 -3.43 -1.26 0.13 115.29 108.48 1ncu s HIS 46 Ca -0.06 -0.48 -0.03 0.00 -0.80 0.00 0.00 55.06 53.69 1ncu s HIS 46 Cb 0.09 -1.28 0.04 0.00 -1.43 0.00 0.00 32.58 30.00 1ncu s HIS 46 CO 0.66 0.59 0.06 -1.14 -2.00 0.00 0.00 174.74 172.91 1ncu s GLN 47 N -3.60 0.18 0.36 -0.38 2.00 -1.00 -3.95 119.66 113.27 1ncu s GLN 47 Ca 0.32 0.09 0.08 0.00 -2.00 0.00 0.00 55.36 53.85 1ncu s GLN 47 Cb 0.01 -1.21 -0.05 0.00 0.80 0.00 0.00 33.01 32.56 1ncu s GLN 47 CO 0.16 -0.47 0.11 0.54 -0.50 0.00 0.00 175.29 175.12 1ncu s VAL 48 N 2.09 2.69 0.16 1.34 0.11 -1.26 -1.77 120.40 123.75 1ncu s VAL 48 Ca 0.03 -1.79 -0.13 0.00 -2.93 0.00 0.00 61.98 57.16 1ncu s VAL 48 Cb -0.14 -2.92 0.01 0.00 -1.53 0.00 0.00 36.38 31.80 1ncu s VAL 48 CO -0.06 -0.14 0.38 0.28 -3.33 0.00 0.00 175.10 172.23 1ncu s THR 49 N -2.51 0.06 -0.01 5.04 -1.32 -0.50 -4.84 115.64 111.56 1ncu s THR 49 Ca 0.38 -1.00 -0.15 0.00 -1.21 0.00 0.00 61.69 59.71 1ncu s THR 49 Cb 0.00 -1.56 0.02 0.00 -1.51 0.00 0.00 72.50 69.45 1ncu s THR 49 CO 0.21 -0.28 0.30 -0.89 -2.21 0.00 0.00 174.62 171.76 1ncu s THR 50 N -3.89 0.06 0.00 5.08 2.01 -1.26 -2.02 115.64 115.61 1ncu s THR 50 Ca 0.10 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.62 1ncu s THR 50 Cb 0.02 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.92 1ncu s THR 50 CO -0.05 -0.26 0.00 1.07 -0.69 0.00 0.00 174.62 174.69 1ncu n THR 51 N 1.29 0.00 0.00 -0.82 5.66 -0.70 -5.01 114.28 114.69 1ncu n THR 51 Ca -0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 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 -0.12 1.09 5.02 -1.26 -4.39 118.16 118.50 1ncu n LYS 52 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.36 1ncu n LYS 52 Cb 0.00 -0.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.64 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 0.19 -4.18 2.13 4.02 -1.26 -4.14 117.16 113.91 1ncu n TYR 53 Ca 0.00 -0.81 -0.17 0.00 -0.01 0.00 0.00 57.90 56.91 1ncu n TYR 53 Cb 0.00 -0.14 -0.12 0.00 -0.02 0.00 0.00 39.34 39.06 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 -2.24 0.73 0.36 -0.72 -2.85 -1.26 -1.12 119.74 112.64 1ncu s LYS 54 Ca 0.25 -0.80 0.05 0.00 -1.00 0.00 0.00 55.97 54.47 1ncu s LYS 54 Cb 0.20 -0.66 -0.07 0.00 -2.06 0.00 0.00 37.83 35.24 1ncu s LYS 54 CO 0.04 0.15 0.04 0.45 0.10 0.00 0.00 175.35 176.13 1ncu s SER 55 N -1.44 2.94 -0.14 0.03 0.15 -0.67 -1.73 113.70 112.83 1ncu s SER 55 Ca -0.03 -1.39 -0.08 0.00 0.70 0.00 0.00 55.95 55.14 1ncu s SER 55 Cb -0.09 -0.15 0.05 0.00 -1.71 0.00 0.00 66.02 64.12 1ncu s SER 55 CO 0.01 -0.57 0.35 0.42 1.20 0.00 0.00 173.24 174.65 1ncu s THR 56 N -3.09 -0.03 -0.19 6.45 -4.23 -0.86 -1.16 115.64 112.53 1ncu s THR 56 Ca 0.35 0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 60.94 1ncu s THR 56 Cb 0.09 -0.52 -0.00 0.00 1.34 0.00 0.00 72.50 73.41 1ncu s THR 56 CO 0.16 0.04 -0.10 0.12 -0.54 0.00 0.00 174.62 174.30 1ncu s PHE 57 N 1.21 2.88 -0.11 3.99 5.36 0.03 -1.40 117.98 129.93 1ncu s PHE 57 Ca -0.08 -1.07 0.01 0.00 -0.96 0.00 0.00 56.93 54.83 1ncu s PHE 57 Cb -0.08 -2.00 0.02 0.00 -0.34 0.00 0.00 43.02 40.61 1ncu s PHE 57 CO -0.10 -0.55 -0.13 -1.83 -1.46 0.00 0.00 175.22 171.15 1ncu s GLU 58 N 1.21 1.98 -0.03 10.12 4.04 -0.73 -0.40 118.70 134.89 1ncu s GLU 58 Ca 0.02 -0.47 -0.03 0.00 0.04 0.00 0.00 54.97 54.54 1ncu s GLU 58 Cb -0.14 -1.77 -0.04 0.00 0.02 0.00 0.00 34.13 32.20 1ncu s GLU 58 CO -0.04 -0.12 0.14 0.42 -1.84 0.00 0.00 175.26 173.82 1ncu s ILE 59 N 1.16 5.20 0.23 1.83 1.01 -0.79 -2.37 121.20 127.47 1ncu s ILE 59 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.46 1ncu s ILE 59 Cb -0.14 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 38.95 1ncu s ILE 59 CO -0.03 0.41 0.00 -1.20 0.00 0.00 0.00 174.94 174.11 1ncu n SER 60 N 1.28 -1.43 0.22 3.58 7.64 -1.23 -4.12 113.62 119.55 1ncu n SER 60 Ca -0.14 0.42 0.15 0.00 1.01 0.00 0.00 58.87 60.31 1ncu n SER 60 Cb 0.53 1.51 0.78 0.00 -1.01 0.00 0.00 64.21 66.02 1ncu n SER 60 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1ncu h SER 61 N 0.00 0.00 -2.45 6.43 0.87 -1.82 -3.08 113.55 113.50 1ncu h SER 61 Ca 0.00 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.97 1ncu h SER 61 Cb 0.00 0.00 0.17 0.00 -0.44 0.00 0.00 62.40 62.13 1ncu h SER 61 CO 0.00 0.00 -0.72 0.55 -0.53 0.00 0.00 176.83 176.13 1ncu n VAL 62 N -2.52 1.24 -1.24 2.23 3.14 0.35 -4.84 118.33 116.69 1ncu n VAL 62 Ca -0.02 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 1ncu n VAL 62 Cb 0.07 -0.36 0.00 0.00 -1.06 0.00 0.00 33.84 32.48 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 0.70 3.64 -0.44 1.45 10.64 -1.26 -4.19 117.38 127.91 1ncu n GLN 63 Ca 0.10 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.31 1ncu n GLN 63 Cb 0.46 0.00 0.20 0.00 -0.86 0.00 0.00 30.24 30.04 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 -3.00 3.18 -2.33 2.61 0.00 -1.26 -4.15 120.51 115.55 1ncu n ALA 64 Ca 0.00 -0.94 -0.20 0.00 0.00 0.00 0.00 53.44 52.31 1ncu n ALA 64 Cb 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 19.45 18.41 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 0.31 4.03 -0.01 0.00 3.41 -1.26 -4.72 113.62 115.39 1ncu n SER 65 Ca 0.14 -3.38 0.01 0.00 -0.26 0.00 0.00 58.87 55.38 1ncu n SER 65 Cb 0.71 -0.41 0.02 0.00 -0.26 0.00 0.00 64.21 64.27 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 -0.57 2.04 -1.01 4.04 9.92 -1.26 -5.11 116.55 124.60 1ncu n ASP 66 Ca 0.34 -2.12 0.02 0.00 -0.53 0.00 0.00 54.79 52.50 1ncu n ASP 66 Cb 0.84 -0.05 -0.01 0.00 -0.64 0.00 0.00 41.12 41.27 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 -0.61 -0.36 -0.01 -1.24 1.02 -1.26 -4.63 120.64 113.55 1ncu n GLU 67 Ca 0.02 0.23 0.04 0.00 -0.02 0.00 0.00 57.16 57.43 1ncu n GLU 67 Cb 0.30 -0.43 -0.06 0.00 -0.02 0.00 0.00 31.44 31.22 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 -0.52 -0.38 3.69 0.62 0.00 -1.19 -3.84 105.19 103.57 1ncu n GLY 68 Ca 0.00 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.02 5.36 -0.09 1.61 -0.87 -1.23 0.32 114.94 117.03 1ncu s ASN 69 Ca -0.03 0.16 -0.15 0.00 -1.57 0.00 0.00 52.86 51.26 1ncu s ASN 69 Cb 0.05 -1.59 0.03 0.00 -0.02 0.00 0.00 41.25 39.73 1ncu s ASN 69 CO 0.34 0.36 0.38 -0.31 -2.57 0.00 0.00 177.10 175.30 1ncu s TYR 70 N -0.74 -0.34 0.00 2.20 2.02 -0.78 -4.61 117.35 115.09 1ncu s TYR 70 Ca 0.12 0.73 0.00 0.00 -0.37 0.00 0.00 57.07 57.55 1ncu s TYR 70 Cb -0.12 0.14 0.00 0.00 -0.40 0.00 0.00 41.96 41.59 1ncu s TYR 70 CO 0.02 -0.31 0.00 -1.13 -1.57 0.00 0.00 175.55 172.56 1ncu n SER 71 N 2.07 0.00 -3.91 2.29 3.41 -1.09 -3.09 113.62 113.30 1ncu n SER 71 Ca -0.17 -0.76 -0.09 0.00 -0.26 0.00 0.00 58.87 57.59 1ncu n SER 71 Cb 0.57 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.45 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 -2.10 0.10 -0.29 -3.33 0.11 -0.86 -0.52 120.40 113.51 1ncu s VAL 72 Ca 0.00 -1.28 0.01 0.00 -2.93 0.00 0.00 61.98 57.78 1ncu s VAL 72 Cb 0.00 -1.62 0.15 0.00 -1.53 0.00 0.00 36.38 33.38 1ncu s VAL 72 CO 0.00 -0.44 0.35 0.68 -3.33 0.00 0.00 175.10 172.36 1ncu s VAL 73 N -3.92 -0.51 -0.08 2.04 -7.23 0.31 -1.82 120.40 109.19 1ncu s VAL 73 Ca 0.12 -0.41 -0.21 0.00 -1.81 0.00 0.00 61.98 59.67 1ncu s VAL 73 Cb 0.04 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.95 1ncu s VAL 73 CO -0.05 -0.39 0.59 -0.69 -0.31 0.00 0.00 175.10 174.25 1ncu s VAL 74 N 2.43 5.08 0.31 1.32 1.01 0.32 -3.05 120.40 127.83 1ncu s VAL 74 Ca 0.10 1.20 0.05 0.00 0.00 0.00 0.00 61.98 63.33 1ncu s VAL 74 Cb -0.13 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1ncu s VAL 74 CO -0.31 0.32 0.27 -1.83 0.00 0.00 0.00 175.10 173.54 1ncu s GLU 75 N 0.53 1.69 0.00 2.72 -1.05 -1.24 0.82 118.70 122.18 1ncu s GLU 75 Ca 0.31 -1.95 0.00 0.00 -0.15 0.00 0.00 54.97 53.19 1ncu s GLU 75 Cb -0.17 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 1ncu s GLU 75 CO 0.15 -0.62 0.00 0.27 0.95 0.00 0.00 175.26 176.00 1ncu n ASN 76 N -1.36 0.00 0.22 0.83 6.94 -0.95 -2.03 115.26 118.91 1ncu n ASN 76 Ca 0.06 0.00 0.15 0.00 -0.02 0.00 0.00 54.58 54.78 1ncu n ASN 76 Cb 0.63 0.00 0.64 0.00 -2.36 0.00 0.00 39.78 38.69 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 -1.87 -3.19 113.55 113.66 1ncu h SER 77 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1ncu h SER 77 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1ncu h SER 77 CO 0.00 0.00 -0.07 -1.84 -0.87 0.00 0.00 176.83 174.05 1ncu n GLU 78 N -3.08 0.00 -4.72 4.77 0.00 -1.26 -5.10 120.64 111.24 1ncu n GLU 78 Ca 0.03 -0.23 -0.32 0.00 0.00 0.00 0.00 57.16 56.65 1ncu n GLU 78 Cb 0.65 0.15 -0.08 0.00 0.00 0.00 0.00 31.44 32.15 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 -0.23 2.90 -0.33 -1.84 0.00 -1.21 -4.51 107.32 102.11 1ncu s GLY 79 Ca 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 43.90 1ncu s GLY 79 CO 0.00 -2.17 1.18 1.17 0.00 0.00 0.00 173.10 173.28 1ncu n LYS 80 N -1.19 0.24 -2.44 2.90 0.00 -1.21 -2.23 118.16 114.24 1ncu n LYS 80 Ca -0.16 -0.79 -0.24 0.00 0.00 0.00 0.00 58.31 57.12 1ncu n LYS 80 Cb 0.67 -0.08 0.09 0.00 0.00 0.00 0.00 35.03 35.70 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 0.05 1.96 0.01 1.64 0.74 0.24 -4.83 119.66 119.46 1ncu s GLN 81 Ca 0.10 -0.73 -0.00 0.00 0.05 0.00 0.00 55.36 54.78 1ncu s GLN 81 Cb 0.16 -2.29 0.00 0.00 1.10 0.00 0.00 33.01 31.98 1ncu s GLN 81 CO -0.08 -1.28 0.01 -0.85 -0.55 0.00 0.00 175.29 172.54 1ncu n GLU 82 N -2.81 0.02 -3.71 1.67 0.00 -1.26 0.12 120.64 114.67 1ncu n GLU 82 Ca 0.11 -0.05 -0.14 0.00 0.00 0.00 0.00 57.16 57.08 1ncu n GLU 82 Cb 0.60 0.05 -0.08 0.00 0.00 0.00 0.00 31.44 32.02 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 -1.42 -0.99 0.08 -1.84 0.00 -0.76 -4.87 121.76 111.97 1ncu s ALA 83 Ca 0.01 0.52 0.07 0.00 0.00 0.00 0.00 51.96 52.56 1ncu s ALA 83 Cb -0.00 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1ncu s ALA 83 CO 0.00 -0.30 -0.19 -1.21 0.00 0.00 0.00 175.76 174.07 1ncu s GLU 84 N -1.38 1.04 0.05 0.00 0.41 -1.26 -2.03 118.70 115.54 1ncu s GLU 84 Ca -0.12 -1.06 -0.27 0.00 -0.41 0.00 0.00 54.97 53.10 1ncu s GLU 84 Cb -0.04 -1.21 0.09 0.00 -1.78 0.00 0.00 34.13 31.20 1ncu s GLU 84 CO 0.05 0.28 1.19 -0.59 -0.49 0.00 0.00 175.26 175.70 1ncu s PHE 85 N -1.15 0.00 -0.02 1.61 -0.12 -1.18 -4.94 117.98 112.19 1ncu s PHE 85 Ca 0.04 -0.21 0.00 0.00 -0.05 0.00 0.00 56.93 56.71 1ncu s PHE 85 Cb -0.10 0.60 0.03 0.00 -0.63 0.00 0.00 43.02 42.92 1ncu s PHE 85 CO 0.03 -0.50 0.01 0.95 -0.05 0.00 0.00 175.22 175.67 1ncu s THR 86 N -2.29 0.05 -0.11 -4.49 -4.23 -1.25 -1.87 115.64 101.44 1ncu s THR 86 Ca 0.21 0.15 0.02 0.00 -1.18 0.00 0.00 61.69 60.90 1ncu s THR 86 Cb 0.00 -0.16 -0.01 0.00 1.34 0.00 0.00 72.50 73.67 1ncu s THR 86 CO 0.00 0.11 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.25 1ncu s LEU 87 N 0.99 2.41 0.40 4.79 2.01 0.97 -2.99 118.68 127.26 1ncu s LEU 87 Ca -0.09 -0.43 0.04 0.00 0.01 0.00 0.00 54.13 53.66 1ncu s LEU 87 Cb -0.13 -1.51 -0.05 0.00 0.01 0.00 0.00 46.19 44.52 1ncu s LEU 87 CO -0.02 0.18 0.05 -0.89 1.01 0.00 0.00 176.35 176.68 1ncu s THR 88 N 0.23 1.26 0.00 5.49 2.01 -1.12 -3.15 115.64 120.35 1ncu s THR 88 Ca -0.12 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 59.88 1ncu s THR 88 Cb -0.16 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.72 1ncu s THR 88 CO 0.07 0.00 0.00 2.30 -0.69 0.00 0.00 174.62 176.30 1ncu n ILE 89 N -0.91 0.00 0.00 1.82 -0.00 -1.22 -1.71 119.36 117.33 1ncu n ILE 89 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.68 1ncu n ILE 89 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.30 1ncu n ILE 89 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.55 178.22 1ncu n GLN 90 N 0.00 0.00 0.00 6.28 -0.06 -0.92 -4.59 117.38 118.08 1ncu n GLN 90 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1ncu n GLN 90 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1ncu n GLN 90 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03