#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 2.00 -1.21 4.33 2.85 -1.26 -4.87 118.16 120.00 1ncu n LYS -5 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 1ncu n LYS -5 Cb 0.00 0.00 0.14 0.00 -0.65 0.00 0.00 35.03 34.52 1ncu n LYS -5 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1ncu n THR -4 N -0.10 2.96 -3.35 0.58 -1.04 -1.26 -4.81 114.28 107.26 1ncu n THR -4 Ca 0.00 -2.81 -0.15 0.00 -2.04 0.00 0.00 64.05 59.05 1ncu n THR -4 Cb 0.00 -0.66 -0.07 0.00 -1.82 0.00 0.00 70.33 67.77 1ncu n THR -4 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1ncu s THR -3 N -3.82 -0.43 0.46 12.58 2.01 -1.26 -4.53 115.64 120.65 1ncu s THR -3 Ca 0.53 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.79 1ncu s THR -3 Cb 0.45 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 1ncu s THR -3 CO 0.03 -0.49 0.05 -0.22 -0.69 0.00 0.00 174.62 173.30 1ncu s LEU -2 N 1.71 2.23 0.00 4.42 0.20 -0.81 -5.01 118.68 121.42 1ncu s LEU -2 Ca 0.15 -1.62 0.00 0.00 0.69 0.00 0.00 54.13 53.35 1ncu s LEU -2 Cb -0.14 -0.50 0.00 0.00 -0.43 0.00 0.00 46.19 45.12 1ncu s LEU -2 CO -0.11 -0.84 0.00 0.00 -0.29 0.00 0.00 176.35 175.12 1ncu n ALA -1 N -1.08 0.00 -3.68 5.97 0.00 -1.26 -3.54 120.51 116.93 1ncu n ALA -1 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.22 1ncu n ALA -1 Cb 0.66 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 -3.48 -1.01 -0.03 0.00 0.00 -1.26 -3.88 121.76 112.11 1ncu s ALA 0 Ca 0.00 1.41 -0.08 0.00 0.00 0.00 0.00 51.96 53.30 1ncu s ALA 0 Cb 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 22.03 1ncu s ALA 0 CO 0.00 -0.53 0.17 -0.98 0.00 0.00 0.00 175.76 174.42 1ncu s ARG 1 N 2.07 0.39 -0.13 0.00 1.70 -1.12 -4.00 118.95 117.86 1ncu s ARG 1 Ca -0.05 -0.10 -0.20 0.00 -0.47 0.00 0.00 55.73 54.91 1ncu s ARG 1 Cb -0.11 0.17 -0.03 0.00 -0.57 0.00 0.00 34.95 34.41 1ncu s ARG 1 CO -0.12 -0.08 0.59 0.42 -1.08 0.00 0.00 175.30 175.02 1ncu s ILE 2 N -0.75 5.10 -0.06 4.99 1.01 -1.26 -1.76 121.20 128.46 1ncu s ILE 2 Ca -0.08 1.16 0.13 0.00 0.00 0.00 0.00 60.65 61.86 1ncu s ILE 2 Cb -0.05 -3.92 -0.18 0.00 0.01 0.00 0.00 42.46 38.33 1ncu s ILE 2 CO 0.01 0.23 0.84 0.25 0.00 0.00 0.00 174.94 176.27 1ncu h LEU 3 N 7.24 0.00 -7.40 2.97 6.46 -1.39 -3.47 115.31 119.71 1ncu h LEU 3 Ca -0.38 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.26 1ncu h LEU 3 Cb 1.17 0.00 -0.23 0.00 -0.73 0.00 0.00 40.66 40.87 1ncu h LEU 3 CO 0.76 0.83 -0.28 -0.89 -0.62 0.00 0.00 178.44 178.24 1ncu s THR 4 N -2.74 0.02 0.46 1.05 2.01 -0.84 -4.90 115.64 110.70 1ncu s THR 4 Ca -0.03 -0.14 0.06 0.00 0.31 0.00 0.00 61.69 61.89 1ncu s THR 4 Cb 0.08 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 72.02 1ncu s THR 4 CO 0.82 -0.08 0.22 -1.59 -0.69 0.00 0.00 174.62 173.30 1ncu s LYS 5 N -0.28 2.24 0.25 4.92 -2.85 -1.26 0.14 119.74 122.90 1ncu s LYS 5 Ca -0.04 -1.96 -0.12 0.00 -1.00 0.00 0.00 55.97 52.86 1ncu s LYS 5 Cb -0.03 -1.97 -0.08 0.00 -2.06 0.00 0.00 37.83 33.70 1ncu s LYS 5 CO 0.02 -0.29 0.60 -1.25 0.10 0.00 0.00 175.35 174.53 1ncu s PRO 6 N -4.01 3.87 0.50 1.78 0.04 -1.23 -4.47 135.00 131.48 1ncu s PRO 6 Ca 0.34 0.40 -0.03 0.00 0.04 0.00 0.00 61.00 61.76 1ncu s PRO 6 Cb 0.02 -2.61 -0.00 0.00 0.04 0.00 0.00 34.50 31.94 1ncu s PRO 6 CO 0.20 0.28 0.77 -0.98 0.04 0.00 0.00 177.00 177.31 1ncu s ARG 7 N -2.79 3.08 0.01 4.56 1.70 -1.26 -4.80 118.95 119.45 1ncu s ARG 7 Ca 0.49 -0.22 -0.00 0.00 -0.47 0.00 0.00 55.73 55.53 1ncu s ARG 7 Cb -0.11 -2.43 0.00 0.00 -0.57 0.00 0.00 34.95 31.84 1ncu s ARG 7 CO 0.20 -0.41 0.01 0.43 -1.08 0.00 0.00 175.30 174.46 1ncu n SER 8 N -2.28 0.01 -3.65 -2.89 7.64 -1.26 -4.81 113.62 106.38 1ncu n SER 8 Ca 0.02 -1.01 -0.00 0.00 1.01 0.00 0.00 58.87 58.89 1ncu n SER 8 Cb 0.57 -0.01 -0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 -2.67 0.69 -0.18 1.43 1.75 -0.89 -4.95 119.30 114.47 1ncu s MET 9 Ca 0.01 -0.40 -0.11 0.00 -1.25 0.00 0.00 55.69 53.94 1ncu s MET 9 Cb -0.00 0.22 0.06 0.00 2.84 0.00 0.00 34.83 37.95 1ncu s MET 9 CO 0.01 -0.32 0.45 0.99 -0.65 0.00 0.00 175.02 175.50 1ncu s THR 10 N -2.56 -0.02 0.00 10.11 2.01 -1.26 -2.06 115.64 121.86 1ncu s THR 10 Ca 0.16 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.23 1ncu s THR 10 Cb 0.02 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.87 1ncu s THR 10 CO -0.01 0.03 0.00 1.33 -0.69 0.00 0.00 174.62 175.28 1ncu n VAL 11 N 4.04 0.00 0.02 3.82 0.24 -0.67 -4.85 118.33 120.93 1ncu n VAL 11 Ca -0.21 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.07 1ncu n VAL 11 Cb 0.56 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.83 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 0.99 0.00 6.34 9.36 -1.26 -1.71 117.16 130.88 1ncu n TYR 12 Ca 0.00 0.34 0.00 0.00 3.32 0.00 0.00 57.90 61.56 1ncu n TYR 12 Cb 0.00 -1.11 0.00 0.00 -0.63 0.00 0.00 39.34 37.60 1ncu n TYR 12 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1ncu n GLU 13 N -2.92 0.00 -1.13 2.98 0.28 -1.26 -1.59 120.64 117.00 1ncu n GLU 13 Ca -0.11 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.63 1ncu n GLU 13 Cb 0.88 0.00 0.09 0.00 1.43 0.00 0.00 31.44 33.84 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 4.90 0.88 -1.84 0.00 0.20 -4.31 105.19 105.02 1ncu n GLY 14 Ca 0.00 -1.59 0.06 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.59 2.21 0.00 1.61 -0.58 -1.25 -3.61 120.64 118.43 1ncu n GLU 15 Ca 0.51 -1.57 0.00 0.00 -0.42 0.00 0.00 57.16 55.68 1ncu n GLU 15 Cb 0.88 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.31 1ncu n GLU 15 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1ncu n SER 16 N 0.67 0.00 -1.91 1.62 3.41 -1.26 -4.95 113.62 111.20 1ncu n SER 16 Ca 0.14 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1ncu n SER 16 Cb 0.44 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 -3.00 0.00 -2.21 7.33 0.00 -1.26 -4.95 120.51 116.42 1ncu n ALA 17 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 1ncu n ALA 17 Cb 0.00 0.01 0.02 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.01 2.91 0.07 0.00 1.70 -1.26 -3.92 118.95 116.44 1ncu s ARG 18 Ca 0.00 -0.57 0.02 0.00 -0.47 0.00 0.00 55.73 54.71 1ncu s ARG 18 Cb 0.00 -2.53 -0.03 0.00 -0.57 0.00 0.00 34.95 31.81 1ncu s ARG 18 CO 0.00 -0.41 -0.07 -0.06 -1.08 0.00 0.00 175.30 173.68 1ncu s PHE 19 N -2.63 0.79 -0.18 5.89 0.08 0.19 -4.87 117.98 117.26 1ncu s PHE 19 Ca 0.51 -0.73 -0.07 0.00 0.12 0.00 0.00 56.93 56.76 1ncu s PHE 19 Cb -0.10 -0.46 0.08 0.00 -0.57 0.00 0.00 43.02 41.96 1ncu s PHE 19 CO 0.38 -0.12 0.39 -1.54 -0.10 0.00 0.00 175.22 174.23 1ncu s SER 20 N -2.38 -0.24 -0.16 1.36 1.04 -1.26 -0.80 113.70 111.25 1ncu s SER 20 Ca 0.02 0.91 0.01 0.00 0.48 0.00 0.00 55.95 57.37 1ncu s SER 20 Cb -0.02 1.11 0.02 0.00 0.10 0.00 0.00 66.02 67.24 1ncu s SER 20 CO -0.02 -0.22 -0.19 0.00 0.98 0.00 0.00 173.24 173.78 1ncu s ASP 22 N 1.21 6.62 -0.16 0.00 1.01 0.12 -1.83 116.67 123.65 1ncu s ASP 22 Ca 0.02 0.97 -0.13 0.00 0.71 0.00 0.00 52.55 54.12 1ncu s ASP 22 Cb -0.14 -2.25 0.04 0.00 1.01 0.00 0.00 42.92 41.59 1ncu s ASP 22 CO -0.09 -0.13 0.41 0.42 0.21 0.00 0.00 175.17 175.99 1ncu s THR 23 N -1.91 -0.01 0.15 -1.27 -4.23 -0.25 -0.97 115.64 107.15 1ncu s THR 23 Ca 0.48 0.02 0.07 0.00 -1.18 0.00 0.00 61.69 61.08 1ncu s THR 23 Cb -0.11 -0.58 -0.04 0.00 1.34 0.00 0.00 72.50 73.11 1ncu s THR 23 CO 0.22 0.01 -0.01 -1.81 -0.54 0.00 0.00 174.62 172.49 1ncu s ASP 24 N 0.51 4.80 -0.04 3.99 1.11 -0.72 -4.43 116.67 121.89 1ncu s ASP 24 Ca -0.02 -0.34 -0.15 0.00 0.18 0.00 0.00 52.55 52.22 1ncu s ASP 24 Cb -0.04 -1.04 0.05 0.00 1.07 0.00 0.00 42.92 42.95 1ncu s ASP 24 CO -0.03 0.12 0.66 0.61 1.18 0.00 0.00 175.17 177.71 1ncu n GLY 25 N 0.12 0.26 3.46 0.21 0.00 -1.26 -2.78 105.19 105.20 1ncu n GLY 25 Ca -0.10 -0.91 -0.01 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.00 0.55 0.25 1.61 2.56 -1.25 -4.27 118.70 116.15 1ncu s GLU 26 Ca 0.16 1.27 -0.04 0.00 0.00 0.00 0.00 54.97 56.36 1ncu s GLU 26 Cb -0.00 0.70 0.06 0.00 2.00 0.00 0.00 34.13 36.89 1ncu s GLU 26 CO -0.01 -0.33 0.18 -0.35 -0.56 0.00 0.00 175.26 174.19 1ncu n PRO 27 N 5.44 -1.96 -1.50 4.30 -0.04 -1.26 -1.93 135.00 138.05 1ncu n PRO 27 Ca -0.08 -0.30 -0.47 0.00 -0.04 0.00 0.00 63.50 62.61 1ncu n PRO 27 Cb 0.50 -0.33 -0.03 0.00 -0.04 0.00 0.00 33.50 33.60 1ncu n PRO 27 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1ncu n VAL 28 N -3.23 1.80 -1.46 0.52 3.14 -1.26 -4.70 118.33 113.14 1ncu n VAL 28 Ca 0.03 -0.45 -0.30 0.00 -2.96 0.00 0.00 64.34 60.66 1ncu n VAL 28 Cb 0.11 -0.48 0.11 0.00 -1.06 0.00 0.00 33.84 32.52 1ncu n VAL 28 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1ncu s PRO 29 N -1.12 1.65 0.30 1.45 0.04 -1.26 -4.85 135.00 131.22 1ncu s PRO 29 Ca 0.64 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1ncu s PRO 29 Cb -0.85 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1ncu s PRO 29 CO 0.57 -1.91 0.01 -2.37 0.04 0.00 0.00 177.00 173.34 1ncu n THR 30 N -3.62 0.00 -3.71 1.26 5.66 -0.96 -4.73 114.28 108.17 1ncu n THR 30 Ca 0.07 -1.40 -0.11 0.00 -3.05 0.00 0.00 64.05 59.55 1ncu n THR 30 Cb 0.57 0.26 -0.11 0.00 -1.55 0.00 0.00 70.33 69.50 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 -2.06 -0.02 -0.18 1.08 0.11 -1.26 -3.79 120.40 114.28 1ncu s VAL 31 Ca 0.01 0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 59.11 1ncu s VAL 31 Cb -0.00 -0.56 0.05 0.00 -1.53 0.00 0.00 36.38 34.34 1ncu s VAL 31 CO 0.00 0.03 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.90 1ncu s THR 32 N 1.00 0.92 -0.46 5.04 2.01 -1.19 -4.99 115.64 117.97 1ncu s THR 32 Ca -0.06 -0.66 -0.23 0.00 0.31 0.00 0.00 61.69 61.04 1ncu s THR 32 Cb -0.07 -1.23 0.03 0.00 0.01 0.00 0.00 72.50 71.24 1ncu s THR 32 CO -0.08 -0.03 0.81 0.26 -0.69 0.00 0.00 174.62 174.89 1ncu s TRP 33 N 1.70 2.96 0.10 4.92 0.52 -1.26 -0.52 118.94 127.36 1ncu s TRP 33 Ca -0.01 0.14 -0.17 0.00 0.02 0.00 0.00 56.10 56.09 1ncu s TRP 33 Cb -0.16 -3.74 0.03 0.00 -1.15 0.00 0.00 33.47 28.45 1ncu s TRP 33 CO -0.07 -1.04 0.40 -0.48 0.02 0.00 0.00 176.95 175.78 1ncu s LEU 34 N 3.39 0.42 0.00 2.99 2.34 0.44 0.71 118.68 128.96 1ncu s LEU 34 Ca 0.30 -0.23 0.00 0.00 0.06 0.00 0.00 54.13 54.26 1ncu s LEU 34 Cb -0.12 1.80 0.00 0.00 -0.56 0.00 0.00 46.19 47.30 1ncu s LEU 34 CO 0.22 -0.79 0.00 -1.14 -1.06 0.00 0.00 176.35 173.58 1ncu n ARG 35 N -0.01 0.00 0.00 1.48 3.00 -1.26 -2.34 116.66 117.53 1ncu n ARG 35 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.68 1ncu n ARG 35 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.09 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 -1.59 0.00 -0.80 -0.14 4.81 -1.26 -4.99 118.16 114.18 1ncu n LYS 36 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1ncu n LYS 36 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1ncu n LYS 36 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ncu n GLY 37 N 0.00 3.24 2.96 3.14 0.00 -1.26 -4.80 105.19 108.48 1ncu n GLY 37 Ca 0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 1ncu n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ncu n GLN 38 N 1.28 -2.11 -0.04 1.61 0.00 -1.26 -4.75 117.38 112.11 1ncu n GLN 38 Ca 0.21 1.91 0.01 0.00 -0.00 0.00 0.00 57.00 59.13 1ncu n GLN 38 Cb 0.60 -5.36 -0.00 0.00 0.00 0.00 0.00 30.24 25.48 1ncu n GLN 38 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1ncu n VAL 39 N -0.66 0.00 0.00 1.69 0.24 -1.26 -4.83 118.33 113.51 1ncu n VAL 39 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1ncu n VAL 39 Cb 0.49 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 1ncu n VAL 39 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ncu n LEU 40 N 0.00 1.14 -4.16 1.34 4.32 0.22 -4.79 117.00 115.07 1ncu n LEU 40 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.75 1ncu n LEU 40 Cb 0.02 0.00 -0.20 0.00 -1.62 0.00 0.00 43.42 41.62 1ncu n LEU 40 CO 0.00 0.17 1.96 -1.54 -1.22 0.00 0.00 177.39 176.76 1ncu n SER 41 N -1.97 -1.06 -3.88 -1.43 3.41 -1.25 -2.01 113.62 105.43 1ncu n SER 41 Ca 0.00 -0.38 -0.30 0.00 -0.26 0.00 0.00 58.87 57.93 1ncu n SER 41 Cb 0.20 -0.56 -0.07 0.00 -0.26 0.00 0.00 64.21 63.53 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 5.44 -0.28 0.07 6.66 -2.24 -1.26 -4.73 114.28 117.95 1ncu n THR 42 Ca 0.63 -0.14 0.19 0.00 -2.27 0.00 0.00 64.05 62.46 1ncu n THR 42 Cb 0.11 -0.53 0.73 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.86 0.00 0.00 3.42 0.87 -1.67 -3.42 113.55 111.89 1ncu h SER 43 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1ncu h SER 43 Cb 1.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1ncu h SER 43 CO 0.64 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.94 1ncu n ALA 44 N -2.50 0.00 -0.94 6.23 0.00 -1.26 -4.96 120.51 117.08 1ncu n ALA 44 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1ncu n ALA 44 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.35 0.08 -2.67 0.00 1.85 -1.26 -5.09 116.66 109.22 1ncu n ARG 45 Ca 0.00 -0.34 -0.23 0.00 -1.00 0.00 0.00 57.85 56.28 1ncu n ARG 45 Cb 0.00 -0.53 0.10 0.00 -1.05 0.00 0.00 32.46 30.98 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 -0.04 1.60 -0.35 2.89 3.76 -1.26 -3.89 115.29 118.00 1ncu s HIS 46 Ca 0.00 -0.35 0.03 0.00 -0.15 0.00 0.00 55.06 54.59 1ncu s HIS 46 Cb 0.00 -2.84 0.15 0.00 1.11 0.00 0.00 32.58 31.00 1ncu s HIS 46 CO 0.00 -1.58 0.38 -1.14 -0.85 0.00 0.00 174.74 171.55 1ncu s GLN 47 N -5.04 0.58 0.29 1.40 -0.44 -1.10 -4.05 119.66 111.30 1ncu s GLN 47 Ca 0.65 -0.64 0.07 0.00 -2.50 0.00 0.00 55.36 52.94 1ncu s GLN 47 Cb -0.06 -0.64 -0.03 0.00 -1.64 0.00 0.00 33.01 30.64 1ncu s GLN 47 CO 0.43 -1.16 0.24 0.54 0.50 0.00 0.00 175.29 175.85 1ncu s VAL 48 N 1.69 3.98 -0.22 1.34 0.11 -1.26 -1.94 120.40 124.10 1ncu s VAL 48 Ca 0.15 -1.39 -0.05 0.00 -2.93 0.00 0.00 61.98 57.76 1ncu s VAL 48 Cb -0.14 -3.29 0.11 0.00 -1.53 0.00 0.00 36.38 31.53 1ncu s VAL 48 CO -0.10 -0.26 0.41 0.28 -3.33 0.00 0.00 175.10 172.09 1ncu s THR 49 N -2.22 -0.64 -0.09 5.04 -1.32 -0.45 -4.82 115.64 111.13 1ncu s THR 49 Ca 0.37 0.06 -0.03 0.00 -1.21 0.00 0.00 61.69 60.88 1ncu s THR 49 Cb -0.07 -0.74 -0.04 0.00 -1.51 0.00 0.00 72.50 70.15 1ncu s THR 49 CO 0.26 -0.02 0.04 -0.89 -2.21 0.00 0.00 174.62 171.81 1ncu s THR 50 N 2.59 4.67 0.00 5.08 2.01 -1.26 -1.50 115.64 127.23 1ncu s THR 50 Ca 0.06 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1ncu s THR 50 Cb -0.14 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.38 1ncu s THR 50 CO -0.14 0.60 0.00 1.07 -0.69 0.00 0.00 174.62 175.45 1ncu n THR 51 N 2.05 0.00 0.00 -0.82 5.66 -0.71 -5.00 114.28 115.46 1ncu n THR 51 Ca -0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1ncu n THR 51 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 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 -0.64 1.09 5.02 -1.26 -4.45 118.16 117.93 1ncu n LYS 52 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1ncu n LYS 52 Cb 0.00 -0.50 0.26 0.00 -0.02 0.00 0.00 35.03 34.77 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 -0.03 1.27 -3.77 2.13 4.02 -1.26 -4.36 117.16 115.16 1ncu n TYR 53 Ca 0.00 -1.09 -0.13 0.00 -0.01 0.00 0.00 57.90 56.67 1ncu n TYR 53 Cb 0.00 -0.43 -0.11 0.00 -0.02 0.00 0.00 39.34 38.79 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 -2.95 0.40 0.41 -0.72 -2.85 -1.26 -1.09 119.74 111.68 1ncu s LYS 54 Ca 0.45 0.33 0.07 0.00 -1.00 0.00 0.00 55.97 55.82 1ncu s LYS 54 Cb 0.38 0.19 -0.07 0.00 -2.06 0.00 0.00 37.83 36.27 1ncu s LYS 54 CO 0.08 -0.06 0.09 0.45 0.10 0.00 0.00 175.35 176.00 1ncu s SER 55 N -0.06 4.12 -0.16 0.03 0.15 -0.76 -1.73 113.70 115.29 1ncu s SER 55 Ca -0.02 -1.24 -0.09 0.00 0.70 0.00 0.00 55.95 55.30 1ncu s SER 55 Cb -0.03 -0.42 0.06 0.00 -1.71 0.00 0.00 66.02 63.91 1ncu s SER 55 CO 0.01 -0.50 0.38 0.42 1.20 0.00 0.00 173.24 174.76 1ncu s THR 56 N -2.66 -0.03 -0.12 6.45 -4.23 -0.56 -1.55 115.64 112.93 1ncu s THR 56 Ca 0.37 0.09 0.02 0.00 -1.18 0.00 0.00 61.69 61.00 1ncu s THR 56 Cb 0.07 -0.57 0.01 0.00 1.34 0.00 0.00 72.50 73.35 1ncu s THR 56 CO 0.20 0.04 -0.20 0.12 -0.54 0.00 0.00 174.62 174.24 1ncu s PHE 57 N 1.30 2.40 -0.05 3.99 5.36 0.02 -1.35 117.98 129.65 1ncu s PHE 57 Ca -0.09 -1.14 0.02 0.00 -0.96 0.00 0.00 56.93 54.76 1ncu s PHE 57 Cb -0.08 -1.65 0.01 0.00 -0.34 0.00 0.00 43.02 40.95 1ncu s PHE 57 CO -0.11 -0.53 -0.09 -1.83 -1.46 0.00 0.00 175.22 171.19 1ncu s GLU 58 N 0.78 1.24 0.13 10.12 1.03 -0.82 0.54 118.70 131.74 1ncu s GLU 58 Ca -0.09 -0.31 -0.05 0.00 0.03 0.00 0.00 54.97 54.55 1ncu s GLU 58 Cb -0.16 -1.10 -0.05 0.00 -0.80 0.00 0.00 34.13 32.02 1ncu s GLU 58 CO 0.00 0.04 0.36 0.42 -1.33 0.00 0.00 175.26 174.76 1ncu s ILE 59 N 0.53 5.18 -0.14 1.83 1.01 -1.25 -2.71 121.20 125.65 1ncu s ILE 59 Ca -0.10 0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.52 1ncu s ILE 59 Cb -0.13 -3.62 -0.07 0.00 0.01 0.00 0.00 42.46 38.65 1ncu s ILE 59 CO 0.02 0.06 -0.17 -1.54 0.00 0.00 0.00 174.94 173.30 1ncu n SER 60 N 0.14 1.31 0.00 3.58 3.41 -1.24 -4.58 113.62 116.25 1ncu n SER 60 Ca -0.03 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1ncu n SER 60 Cb 0.52 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1ncu n SER 60 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ncu n SER 61 N -3.52 0.19 -4.29 4.04 7.64 -1.25 -3.66 113.62 112.77 1ncu n SER 61 Ca -0.28 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.25 1ncu n SER 61 Cb 0.71 0.01 -0.08 0.00 -1.01 0.00 0.00 64.21 63.83 1ncu n SER 61 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1ncu n VAL 62 N -1.32 -0.43 0.00 0.44 3.14 -1.25 0.59 118.33 119.49 1ncu n VAL 62 Ca 0.00 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 1ncu n VAL 62 Cb 0.02 -0.69 0.00 0.00 -1.06 0.00 0.00 33.84 32.12 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 -4.08 2.40 -1.65 1.45 6.02 -1.26 -4.11 117.38 116.15 1ncu n GLN 63 Ca -0.08 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.78 1ncu n GLN 63 Cb 0.53 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.75 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 -3.00 -0.34 -2.20 -1.58 0.00 -1.26 -4.06 120.51 108.06 1ncu n ALA 64 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1ncu n ALA 64 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1ncu n ALA 64 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ncu n SER 65 N -0.79 -9.31 -2.71 0.00 2.88 -1.26 -4.98 113.62 97.45 1ncu n SER 65 Ca -0.13 1.59 0.00 0.00 -1.33 0.00 0.00 58.87 59.00 1ncu n SER 65 Cb 0.47 -5.18 0.05 0.00 -0.75 0.00 0.00 64.21 58.80 1ncu n SER 65 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ncu n ASP 66 N 1.90 1.22 0.00 -3.46 -0.08 -1.26 -5.13 116.55 109.74 1ncu n ASP 66 Ca 0.00 -2.04 0.00 0.00 -1.51 0.00 0.00 54.79 51.24 1ncu n ASP 66 Cb 0.00 -0.35 0.00 0.00 2.34 0.00 0.00 41.12 43.11 1ncu n ASP 66 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1ncu n GLU 67 N -0.60 0.00 0.00 -0.67 0.00 -1.26 -4.66 120.64 113.44 1ncu n GLU 67 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.20 1ncu n GLU 67 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.27 1ncu n GLU 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ncu n GLY 68 N 0.00 0.76 3.63 -1.84 0.00 -1.25 -3.92 105.19 102.57 1ncu n GLY 68 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.74 6.66 0.03 1.61 -0.87 -1.26 0.29 114.94 120.66 1ncu s ASN 69 Ca 0.00 0.80 -0.01 0.00 -1.57 0.00 0.00 52.86 52.08 1ncu s ASN 69 Cb 0.00 -2.37 -0.03 0.00 -0.02 0.00 0.00 41.25 38.83 1ncu s ASN 69 CO 0.00 -0.44 -0.02 -0.31 -2.57 0.00 0.00 177.10 173.76 1ncu s TYR 70 N 2.65 0.36 0.08 2.20 2.02 -0.75 -4.63 117.35 119.29 1ncu s TYR 70 Ca 0.29 -0.75 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 1ncu s TYR 70 Cb -0.15 -0.27 -0.00 0.00 -0.40 0.00 0.00 41.96 41.14 1ncu s TYR 70 CO 0.08 -0.28 0.09 0.43 -1.57 0.00 0.00 175.55 174.30 1ncu n SER 71 N 0.90 -0.25 -3.38 2.29 7.64 -0.99 -2.39 113.62 117.45 1ncu n SER 71 Ca -0.19 -1.44 -0.13 0.00 1.01 0.00 0.00 58.87 58.11 1ncu n SER 71 Cb 0.58 0.49 -0.09 0.00 -1.01 0.00 0.00 64.21 64.18 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 -2.43 -0.51 -0.74 0.44 0.11 -0.92 -0.42 120.40 115.92 1ncu s VAL 72 Ca 0.07 -0.22 -0.21 0.00 -2.93 0.00 0.00 61.98 58.70 1ncu s VAL 72 Cb 0.00 -0.86 0.09 0.00 -1.53 0.00 0.00 36.38 34.08 1ncu s VAL 72 CO 0.05 -0.25 1.00 0.68 -3.33 0.00 0.00 175.10 173.26 1ncu s VAL 73 N 2.46 4.48 -0.18 2.04 -7.23 0.32 -1.01 120.40 121.27 1ncu s VAL 73 Ca 0.10 -0.80 -0.21 0.00 -1.81 0.00 0.00 61.98 59.26 1ncu s VAL 73 Cb -0.15 -4.71 -0.02 0.00 0.56 0.00 0.00 36.38 32.06 1ncu s VAL 73 CO -0.21 -1.46 0.66 -0.69 -0.31 0.00 0.00 175.10 173.08 1ncu s VAL 74 N 3.54 5.01 0.35 1.32 1.01 0.23 -3.15 120.40 128.72 1ncu s VAL 74 Ca 0.25 1.25 -0.01 0.00 0.00 0.00 0.00 61.98 63.47 1ncu s VAL 74 Cb -0.13 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1ncu s VAL 74 CO 0.03 0.11 0.47 -1.83 0.00 0.00 0.00 175.10 173.88 1ncu s GLU 75 N 1.84 1.94 0.00 2.72 1.03 -1.25 -1.02 118.70 123.96 1ncu s GLU 75 Ca 0.30 -1.81 0.00 0.00 0.03 0.00 0.00 54.97 53.50 1ncu s GLU 75 Cb -0.16 0.44 0.00 0.00 -0.80 0.00 0.00 34.13 33.61 1ncu s GLU 75 CO 0.11 -0.80 0.00 -1.71 -1.33 0.00 0.00 175.26 171.53 1ncu n ASN 76 N -1.50 1.13 0.00 0.83 5.15 -0.78 -2.26 115.26 117.84 1ncu n ASN 76 Ca 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 1ncu n ASN 76 Cb 0.61 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.86 1ncu n ASN 76 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1ncu n SER 77 N 0.00 0.00 -0.42 1.20 3.41 -1.26 -3.41 113.62 113.14 1ncu n SER 77 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ncu n SER 77 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -3.84 0.00 -4.27 4.33 0.28 -1.23 -5.03 120.64 110.88 1ncu n GLU 78 Ca 0.00 -0.01 -0.27 0.00 -0.16 0.00 0.00 57.16 56.72 1ncu n GLU 78 Cb 0.00 -0.01 -0.09 0.00 1.43 0.00 0.00 31.44 32.77 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 -0.01 1.73 -0.43 -1.84 0.00 -1.22 -4.66 107.32 100.89 1ncu s GLY 79 Ca 0.00 -1.45 0.04 0.00 0.00 0.00 0.00 44.72 43.31 1ncu s GLY 79 CO 0.00 -1.47 0.42 1.25 0.00 0.00 0.00 173.10 173.30 1ncu s LYS 80 N -2.87 0.90 0.44 2.90 2.36 -1.26 -1.86 119.74 120.36 1ncu s LYS 80 Ca 0.26 -1.77 0.07 0.00 -2.55 0.00 0.00 55.97 51.97 1ncu s LYS 80 Cb -0.09 -1.08 -0.02 0.00 -1.05 0.00 0.00 37.83 35.59 1ncu s LYS 80 CO 0.16 -1.36 0.31 -1.14 1.55 0.00 0.00 175.35 174.88 1ncu s GLN 81 N 0.37 2.36 0.17 4.03 0.74 -0.19 -4.96 119.66 122.18 1ncu s GLN 81 Ca 0.31 -1.75 -0.02 0.00 0.05 0.00 0.00 55.36 53.94 1ncu s GLN 81 Cb 0.01 -2.17 0.01 0.00 1.10 0.00 0.00 33.01 31.95 1ncu s GLN 81 CO -0.15 -0.26 0.25 -0.85 -0.55 0.00 0.00 175.29 173.74 1ncu n GLU 82 N -1.48 0.36 -3.42 1.67 -0.00 -1.26 0.78 120.64 117.29 1ncu n GLU 82 Ca 0.01 -1.29 -0.12 0.00 -0.00 0.00 0.00 57.16 55.76 1ncu n GLU 82 Cb 0.63 1.28 -0.10 0.00 -0.00 0.00 0.00 31.44 33.26 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 -2.05 -0.80 0.22 -1.84 0.00 -0.18 -4.86 121.76 112.25 1ncu s ALA 83 Ca 0.13 0.71 -0.12 0.00 0.00 0.00 0.00 51.96 52.68 1ncu s ALA 83 Cb -0.01 -1.52 -0.07 0.00 0.00 0.00 0.00 23.12 21.52 1ncu s ALA 83 CO 0.09 -1.21 0.58 -1.21 0.00 0.00 0.00 175.76 174.01 1ncu s GLU 84 N 2.47 3.88 0.24 0.00 0.41 -1.26 -2.17 118.70 122.26 1ncu s GLU 84 Ca 0.10 0.40 -0.21 0.00 -0.41 0.00 0.00 54.97 54.85 1ncu s GLU 84 Cb -0.15 -2.69 0.07 0.00 -1.78 0.00 0.00 34.13 29.58 1ncu s GLU 84 CO -0.14 0.33 0.96 -0.59 -0.49 0.00 0.00 175.26 175.33 1ncu s PHE 85 N -1.75 0.05 -0.11 1.61 -0.12 -1.00 -4.94 117.98 111.72 1ncu s PHE 85 Ca 0.46 -0.51 -0.04 0.00 -0.05 0.00 0.00 56.93 56.78 1ncu s PHE 85 Cb -0.12 0.73 0.06 0.00 -0.63 0.00 0.00 43.02 43.06 1ncu s PHE 85 CO 0.20 -1.09 0.22 0.95 -0.05 0.00 0.00 175.22 175.46 1ncu s THR 86 N -2.40 -0.32 -0.62 -4.49 -4.23 -1.25 -1.80 115.64 100.53 1ncu s THR 86 Ca 0.19 0.29 -0.09 0.00 -1.18 0.00 0.00 61.69 60.89 1ncu s THR 86 Cb -0.03 -0.38 0.16 0.00 1.34 0.00 0.00 72.50 73.59 1ncu s THR 86 CO 0.07 0.12 0.50 -0.76 -0.54 0.00 0.00 174.62 174.01 1ncu s LEU 87 N 2.21 5.93 0.60 4.79 1.02 0.82 -2.10 118.68 131.96 1ncu s LEU 87 Ca 0.00 -2.37 -0.04 0.00 0.02 0.00 0.00 54.13 51.75 1ncu s LEU 87 Cb -0.12 -2.04 0.03 0.00 0.02 0.00 0.00 46.19 44.08 1ncu s LEU 87 CO -0.08 -0.59 0.88 -0.89 0.02 0.00 0.00 176.35 175.70 1ncu s THR 88 N 0.67 2.97 0.00 5.49 2.01 -0.87 -3.96 115.64 121.95 1ncu s THR 88 Ca 0.12 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.80 1ncu s THR 88 Cb -0.20 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.12 1ncu s THR 88 CO -0.03 -0.17 0.00 2.30 -0.69 0.00 0.00 174.62 176.02 1ncu n ILE 89 N -2.59 0.00 0.00 1.82 -0.00 -1.24 -1.66 119.36 115.69 1ncu n ILE 89 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.81 1ncu n ILE 89 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.23 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 -0.62 -4.61 117.38 118.37 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