#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 -0.97 -0.90 -1.46 4.76 -1.26 -4.16 118.16 114.17 1ncu n LYS -5 Ca 0.00 -0.27 0.04 0.00 -2.87 0.00 0.00 58.31 55.21 1ncu n LYS -5 Cb 0.00 -1.53 0.37 0.00 -1.84 0.00 0.00 35.03 32.03 1ncu n LYS -5 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1ncu n THR -4 N -3.98 2.72 -0.02 -0.18 5.66 -1.26 -3.17 114.28 114.05 1ncu n THR -4 Ca 0.01 -1.40 -0.02 0.00 -3.05 0.00 0.00 64.05 59.59 1ncu n THR -4 Cb 0.63 -0.31 -0.01 0.00 -1.55 0.00 0.00 70.33 69.09 1ncu n THR -4 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1ncu h THR -3 N 3.59 0.00 -0.00 1.09 1.35 -1.89 -3.42 112.91 113.63 1ncu h THR -3 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 1ncu h THR -3 Cb 2.03 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1ncu h THR -3 CO 0.54 0.00 0.00 -0.11 -0.25 0.00 0.00 175.52 175.70 1ncu n LEU -2 N -3.06 0.00 0.00 3.87 0.00 -1.26 -4.87 117.00 111.67 1ncu n LEU -2 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1ncu n LEU -2 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.47 1ncu n LEU -2 CO 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 177.39 177.30 1ncu n ALA -1 N -3.00 0.00 -3.67 1.96 0.00 -1.26 -4.17 120.51 110.37 1ncu n ALA -1 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1ncu n ALA -1 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -1.00 -1.20 -0.06 0.00 0.00 -1.25 -3.05 121.76 115.20 1ncu s ALA 0 Ca 0.00 1.60 -0.13 0.00 0.00 0.00 0.00 51.96 53.43 1ncu s ALA 0 Cb 0.00 -1.23 0.03 0.00 0.00 0.00 0.00 23.12 21.91 1ncu s ALA 0 CO 0.00 -0.60 0.31 -0.98 0.00 0.00 0.00 175.76 174.49 1ncu s ARG 1 N 2.22 0.53 -0.19 0.00 1.70 -0.65 -4.27 118.95 118.29 1ncu s ARG 1 Ca -0.05 0.08 -0.20 0.00 -0.47 0.00 0.00 55.73 55.09 1ncu s ARG 1 Cb -0.11 0.24 -0.03 0.00 -0.57 0.00 0.00 34.95 34.49 1ncu s ARG 1 CO -0.13 -0.12 0.61 0.42 -1.08 0.00 0.00 175.30 174.99 1ncu s ILE 2 N -0.66 5.05 -0.19 4.99 -1.09 -1.26 -1.56 121.20 126.47 1ncu s ILE 2 Ca -0.08 1.15 -0.07 0.00 -2.23 0.00 0.00 60.65 59.42 1ncu s ILE 2 Cb -0.04 -3.93 -0.09 0.00 -1.58 0.00 0.00 42.46 36.82 1ncu s ILE 2 CO 0.02 0.14 -0.23 -0.11 -1.23 0.00 0.00 174.94 173.54 1ncu n LEU 3 N 4.85 1.66 -3.24 2.97 0.00 -0.53 -4.82 117.00 117.89 1ncu n LEU 3 Ca -0.02 0.17 -0.25 0.00 0.00 0.00 0.00 56.01 55.91 1ncu n LEU 3 Cb 0.50 -0.57 -0.07 0.00 0.00 0.00 0.00 43.42 43.28 1ncu n LEU 3 CO 0.44 0.48 -0.12 0.41 0.00 0.00 0.00 177.39 178.60 1ncu n THR 4 N -3.70 0.80 -0.83 1.96 -1.04 -1.18 -4.94 114.28 105.35 1ncu n THR 4 Ca -0.37 -4.66 -0.33 0.00 -2.04 0.00 0.00 64.05 56.66 1ncu n THR 4 Cb 0.78 -1.74 0.09 0.00 -1.82 0.00 0.00 70.33 67.64 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 0.91 -0.79 -3.20 -2.82 0.00 -1.26 -2.80 118.16 108.20 1ncu n LYS 5 Ca 0.26 -0.22 -0.32 0.00 -0.00 0.00 0.00 58.31 58.02 1ncu n LYS 5 Cb 0.49 -1.30 -0.06 0.00 -0.00 0.00 0.00 35.03 34.16 1ncu n LYS 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1ncu s PRO 6 N -2.65 3.96 0.76 -1.58 0.04 -1.25 -4.59 135.00 129.69 1ncu s PRO 6 Ca 0.42 0.58 -0.04 0.00 0.04 0.00 0.00 61.00 62.00 1ncu s PRO 6 Cb 0.01 -2.48 0.14 0.00 0.04 0.00 0.00 34.50 32.20 1ncu s PRO 6 CO 0.60 0.19 1.05 1.03 0.04 0.00 0.00 177.00 179.92 1ncu s ARG 7 N -2.94 1.52 0.14 4.56 0.52 -1.26 -4.75 118.95 116.74 1ncu s ARG 7 Ca 0.53 -0.94 0.01 0.00 -0.52 0.00 0.00 55.73 54.81 1ncu s ARG 7 Cb -0.10 -2.24 0.03 0.00 0.52 0.00 0.00 34.95 33.15 1ncu s ARG 7 CO 0.18 -1.60 0.19 0.43 0.02 0.00 0.00 175.30 174.52 1ncu n SER 8 N -3.00 0.35 -3.64 0.23 7.64 -1.26 -4.72 113.62 109.22 1ncu n SER 8 Ca 0.15 -1.28 0.02 0.00 1.01 0.00 0.00 58.87 58.77 1ncu n SER 8 Cb 0.60 -0.11 -0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 -2.76 0.30 -0.17 1.43 1.75 -0.87 -4.94 119.30 114.04 1ncu s MET 9 Ca 0.13 -0.17 -0.14 0.00 -1.25 0.00 0.00 55.69 54.26 1ncu s MET 9 Cb -0.01 0.10 0.05 0.00 2.84 0.00 0.00 34.83 37.81 1ncu s MET 9 CO 0.09 -0.14 0.45 -0.08 -0.65 0.00 0.00 175.02 174.68 1ncu s THR 10 N -2.26 -0.01 0.34 10.11 -1.32 -1.26 -2.43 115.64 118.82 1ncu s THR 10 Ca 0.17 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 1ncu s THR 10 Cb 0.05 -0.64 -0.00 0.00 -1.51 0.00 0.00 72.50 70.40 1ncu s THR 10 CO -0.04 0.01 0.43 0.68 -2.21 0.00 0.00 174.62 173.49 1ncu s VAL 11 N 0.65 0.00 -0.38 5.08 -7.23 -0.67 -4.90 120.40 112.96 1ncu s VAL 11 Ca -0.03 -1.69 0.23 0.00 -1.81 0.00 0.00 61.98 58.67 1ncu s VAL 11 Cb -0.05 -2.62 0.04 0.00 0.56 0.00 0.00 36.38 34.31 1ncu s VAL 11 CO -0.04 0.00 1.17 0.22 -0.31 0.00 0.00 175.10 176.13 1ncu h TYR 12 N 2.11 0.00 0.00 2.82 3.20 -1.84 -1.15 116.97 122.11 1ncu h TYR 12 Ca -0.27 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.60 1ncu h TYR 12 Cb 1.24 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.51 1ncu h TYR 12 CO 1.59 0.00 0.00 -0.85 -1.64 0.00 0.00 178.16 177.26 1ncu n GLU 13 N -2.53 0.00 -1.02 1.82 0.28 -1.26 -3.61 120.64 114.32 1ncu n GLU 13 Ca 0.01 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.79 1ncu n GLU 13 Cb 0.51 0.00 0.08 0.00 1.43 0.00 0.00 31.44 33.46 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 4.55 0.93 -1.84 0.00 -1.25 -4.19 105.19 103.39 1ncu n GLY 14 Ca 0.00 -1.37 0.11 0.00 0.00 0.00 0.00 46.02 44.76 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 2.22 -0.87 1.61 1.02 -1.26 -3.10 120.64 119.88 1ncu n GLU 15 Ca 0.44 -1.83 -0.34 0.00 -0.02 0.00 0.00 57.16 55.41 1ncu n GLU 15 Cb 0.85 -1.47 0.09 0.00 -0.02 0.00 0.00 31.44 30.89 1ncu n GLU 15 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ncu n SER 16 N 1.06 -3.65 -1.52 1.62 2.88 -1.24 -4.94 113.62 107.82 1ncu n SER 16 Ca 0.18 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1ncu n SER 16 Cb 0.50 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 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 -3.20 0.00 -2.74 -1.46 0.00 -1.26 -4.58 120.51 107.26 1ncu n ALA 17 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.24 1ncu n ALA 17 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 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 1.50 2.66 0.11 0.00 1.70 -1.26 -3.39 118.95 120.27 1ncu s ARG 18 Ca 0.00 -1.16 0.04 0.00 -0.47 0.00 0.00 55.73 54.14 1ncu s ARG 18 Cb 0.00 -2.42 -0.04 0.00 -0.57 0.00 0.00 34.95 31.93 1ncu s ARG 18 CO 0.00 0.40 -0.10 -0.06 -1.08 0.00 0.00 175.30 174.46 1ncu s PHE 19 N -2.11 1.13 -0.20 5.89 0.08 0.95 -4.92 117.98 118.80 1ncu s PHE 19 Ca 0.32 -0.68 -0.06 0.00 0.12 0.00 0.00 56.93 56.62 1ncu s PHE 19 Cb -0.08 -0.61 0.09 0.00 -0.57 0.00 0.00 43.02 41.86 1ncu s PHE 19 CO 0.22 0.02 0.41 -1.54 -0.10 0.00 0.00 175.22 174.23 1ncu s SER 20 N -2.62 -0.18 -0.19 1.36 1.04 -1.26 -0.95 113.70 110.90 1ncu s SER 20 Ca 0.08 0.91 -0.02 0.00 0.48 0.00 0.00 55.95 57.40 1ncu s SER 20 Cb -0.02 1.29 -0.01 0.00 0.10 0.00 0.00 66.02 67.39 1ncu s SER 20 CO 0.00 -0.24 -0.08 0.00 0.98 0.00 0.00 173.24 173.90 1ncu s ASP 22 N 1.17 6.20 -0.16 0.00 1.01 -1.12 -0.99 116.67 122.79 1ncu s ASP 22 Ca 0.02 -1.14 -0.06 0.00 0.71 0.00 0.00 52.55 52.08 1ncu s ASP 22 Cb -0.14 -2.29 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 1ncu s ASP 22 CO -0.03 -0.96 0.06 0.42 0.21 0.00 0.00 175.17 174.88 1ncu s THR 23 N 2.58 4.79 0.41 -1.27 -4.23 0.21 -1.45 115.64 116.68 1ncu s THR 23 Ca 0.13 -0.04 0.07 0.00 -1.18 0.00 0.00 61.69 60.66 1ncu s THR 23 Cb -0.21 -3.13 0.01 0.00 1.34 0.00 0.00 72.50 70.51 1ncu s THR 23 CO 0.09 0.51 0.57 -0.62 -0.54 0.00 0.00 174.62 174.63 1ncu s ASP 24 N -0.03 5.71 0.00 3.99 2.15 -0.60 -4.18 116.67 123.70 1ncu s ASP 24 Ca 0.06 -0.30 0.00 0.00 0.43 0.00 0.00 52.55 52.74 1ncu s ASP 24 Cb -0.12 -0.85 0.00 0.00 -0.30 0.00 0.00 42.92 41.65 1ncu s ASP 24 CO 0.01 -0.71 0.00 0.61 -0.17 0.00 0.00 175.17 174.91 1ncu n GLY 25 N -1.85 3.05 3.07 2.66 0.00 -1.26 -1.64 105.19 109.22 1ncu n GLY 25 Ca 0.06 -1.21 -0.20 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.18 0.88 -0.03 1.61 8.01 -1.17 -4.10 118.70 121.72 1ncu s GLU 26 Ca 0.00 -0.49 -0.25 0.00 0.01 0.00 0.00 54.97 54.24 1ncu s GLU 26 Cb 0.00 -0.85 -0.20 0.00 -4.31 0.00 0.00 34.13 28.77 1ncu s GLU 26 CO 0.00 0.22 1.21 -1.00 0.01 0.00 0.00 175.26 175.70 1ncu h PRO 27 N 5.60 0.07 -3.47 0.39 0.13 -1.71 -3.37 132.00 129.64 1ncu h PRO 27 Ca -0.33 -0.04 -0.31 0.00 -0.87 0.00 0.00 66.00 64.45 1ncu h PRO 27 Cb 1.18 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.96 1ncu h PRO 27 CO 0.48 0.61 -0.72 0.08 -0.23 0.00 0.00 178.00 178.22 1ncu s VAL 28 N -3.96 -0.07 1.07 1.56 1.01 -1.26 -4.91 120.40 113.84 1ncu s VAL 28 Ca -0.16 0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 1ncu s VAL 28 Cb 0.02 -0.10 0.23 0.00 0.00 0.00 0.00 36.38 36.52 1ncu s VAL 28 CO 0.69 0.10 1.07 -2.16 0.00 0.00 0.00 175.10 174.81 1ncu s PRO 29 N 1.25 -0.13 0.01 2.72 0.04 -1.25 -4.74 135.00 132.90 1ncu s PRO 29 Ca -0.07 0.53 0.04 0.00 0.04 0.00 0.00 61.00 61.54 1ncu s PRO 29 Cb -0.13 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.73 1ncu s PRO 29 CO -0.03 -3.11 -0.12 0.99 0.04 0.00 0.00 177.00 174.77 1ncu s THR 30 N -2.83 0.92 0.05 1.26 2.01 -0.28 -4.83 115.64 111.93 1ncu s THR 30 Ca 0.67 -0.63 0.07 0.00 0.31 0.00 0.00 61.69 62.11 1ncu s THR 30 Cb -0.20 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 1ncu s THR 30 CO 0.59 0.16 -0.19 0.54 -0.69 0.00 0.00 174.62 175.04 1ncu s VAL 31 N -0.46 2.73 -0.21 3.82 0.11 -1.26 -0.80 120.40 124.32 1ncu s VAL 31 Ca 0.03 -1.23 -0.04 0.00 -2.93 0.00 0.00 61.98 57.81 1ncu s VAL 31 Cb -0.05 -2.15 0.10 0.00 -1.53 0.00 0.00 36.38 32.75 1ncu s VAL 31 CO 0.00 0.32 0.27 -0.89 -3.33 0.00 0.00 175.10 171.46 1ncu s THR 32 N -0.93 -0.40 -0.29 5.04 2.01 -1.13 -4.97 115.64 114.97 1ncu s THR 32 Ca 0.15 -0.10 -0.24 0.00 0.31 0.00 0.00 61.69 61.81 1ncu s THR 32 Cb -0.10 -0.72 -0.00 0.00 0.01 0.00 0.00 72.50 71.69 1ncu s THR 32 CO 0.05 -0.18 0.79 0.26 -0.69 0.00 0.00 174.62 174.85 1ncu s TRP 33 N 2.39 3.23 -0.06 4.92 0.52 -1.26 -0.52 118.94 128.16 1ncu s TRP 33 Ca 0.08 0.90 -0.23 0.00 0.02 0.00 0.00 56.10 56.87 1ncu s TRP 33 Cb -0.16 -3.16 0.05 0.00 -1.15 0.00 0.00 33.47 29.05 1ncu s TRP 33 CO -0.13 -0.51 0.53 -0.48 0.02 0.00 0.00 176.95 176.37 1ncu s LEU 34 N 2.91 -0.03 0.00 2.99 2.34 -0.18 -0.28 118.68 126.43 1ncu s LEU 34 Ca 0.33 0.55 0.00 0.00 0.06 0.00 0.00 54.13 55.07 1ncu s LEU 34 Cb -0.14 1.98 0.00 0.00 -0.56 0.00 0.00 46.19 47.47 1ncu s LEU 34 CO 0.11 -0.49 0.00 -1.14 -1.06 0.00 0.00 176.35 173.77 1ncu n ARG 35 N 1.32 0.00 0.00 1.48 3.00 -1.26 -3.06 116.66 118.13 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 0.56 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.02 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 -1.18 0.00 -0.59 -0.14 4.81 -1.26 -4.99 118.16 114.82 1ncu n LYS 36 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 1ncu n LYS 36 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 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 -0.01 2.96 2.86 3.14 0.00 -1.26 -4.88 105.19 108.00 1ncu n GLY 37 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 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 1.07 -2.70 -1.08 1.61 0.00 -1.26 -4.42 117.38 110.59 1ncu n GLN 38 Ca 0.09 2.26 0.00 0.00 -0.00 0.00 0.00 57.00 59.35 1ncu n GLN 38 Cb 0.54 -3.48 0.00 0.00 0.00 0.00 0.00 30.24 27.30 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 1.47 -0.34 -0.47 1.69 0.24 -1.26 -4.64 118.33 115.01 1ncu n VAL 39 Ca -0.12 0.00 0.40 0.00 -2.04 0.00 0.00 64.34 62.58 1ncu n VAL 39 Cb 0.30 -0.88 0.73 0.00 -1.47 0.00 0.00 33.84 32.52 1ncu n VAL 39 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1ncu h LEU 40 N 3.12 0.10 -8.03 1.34 4.07 -0.85 -3.33 115.31 111.72 1ncu h LEU 40 Ca 0.00 0.04 -0.37 0.00 0.08 0.00 0.00 57.88 57.63 1ncu h LEU 40 Cb 0.00 0.03 -0.10 0.00 1.08 0.00 0.00 40.66 41.66 1ncu h LEU 40 CO 0.00 -0.03 1.84 -1.54 -1.08 0.00 0.00 178.44 177.63 1ncu n SER 41 N -4.26 -0.82 -2.72 -0.43 3.41 -1.25 -3.09 113.62 104.47 1ncu n SER 41 Ca 0.34 -0.45 -0.11 0.00 -0.26 0.00 0.00 58.87 58.39 1ncu n SER 41 Cb 1.49 -0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 64.71 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 6.19 -0.15 0.05 6.66 -2.24 -1.26 -4.75 114.28 118.77 1ncu n THR 42 Ca 0.66 -0.08 -0.15 0.00 -2.27 0.00 0.00 64.05 62.22 1ncu n THR 42 Cb 0.14 -0.22 -0.08 0.00 -2.10 0.00 0.00 70.33 68.07 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 -0.02 -1.50 0.00 3.42 0.87 -1.65 -3.41 113.55 111.27 1ncu h SER 43 Ca -0.18 0.18 -0.08 0.00 -1.23 0.00 0.00 61.79 60.47 1ncu h SER 43 Cb 0.40 0.58 -0.08 0.00 -0.44 0.00 0.00 62.40 62.86 1ncu h SER 43 CO 0.23 -0.49 -0.19 0.00 -0.53 0.00 0.00 176.83 175.85 1ncu n ALA 44 N -2.94 2.00 0.00 6.23 0.00 -1.26 -4.96 120.51 119.58 1ncu n ALA 44 Ca -0.06 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1ncu n ALA 44 Cb 0.39 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 0.00 0.00 -1.44 0.00 1.85 -1.26 -5.00 116.66 110.82 1ncu n ARG 45 Ca -0.18 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.38 1ncu n ARG 45 Cb 0.54 0.00 0.16 0.00 -1.05 0.00 0.00 32.46 32.11 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 0.00 2.18 -0.35 2.89 3.76 -1.26 -4.13 115.29 118.38 1ncu s HIS 46 Ca 0.00 0.81 0.01 0.00 -0.15 0.00 0.00 55.06 55.73 1ncu s HIS 46 Cb 0.00 -3.41 0.14 0.00 1.11 0.00 0.00 32.58 30.42 1ncu s HIS 46 CO 0.00 -2.65 0.30 -1.14 -0.85 0.00 0.00 174.74 170.40 1ncu s GLN 47 N -5.26 0.53 0.29 1.40 2.00 -0.98 -4.14 119.66 113.50 1ncu s GLN 47 Ca 0.65 -0.85 0.08 0.00 -2.00 0.00 0.00 55.36 53.24 1ncu s GLN 47 Cb -0.14 -0.90 -0.03 0.00 0.80 0.00 0.00 33.01 32.73 1ncu s GLN 47 CO 0.54 -1.16 0.19 0.54 -0.50 0.00 0.00 175.29 174.91 1ncu s VAL 48 N 1.53 3.91 0.26 1.34 0.11 -1.26 -2.00 120.40 124.30 1ncu s VAL 48 Ca 0.15 -1.49 -0.12 0.00 -2.93 0.00 0.00 61.98 57.59 1ncu s VAL 48 Cb -0.17 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.45 1ncu s VAL 48 CO -0.09 -0.29 0.50 0.28 -3.33 0.00 0.00 175.10 172.17 1ncu s THR 49 N -2.24 0.00 0.15 5.04 -1.32 -0.48 -4.84 115.64 111.95 1ncu s THR 49 Ca 0.35 -1.39 0.00 0.00 -1.21 0.00 0.00 61.69 59.45 1ncu s THR 49 Cb -0.07 -2.27 -0.04 0.00 -1.51 0.00 0.00 72.50 68.61 1ncu s THR 49 CO 0.25 0.00 0.03 0.42 -2.21 0.00 0.00 174.62 173.10 1ncu s THR 50 N -3.83 0.39 -0.34 5.08 -4.23 -1.26 -2.02 115.64 109.43 1ncu s THR 50 Ca 0.22 -1.94 0.16 0.00 -1.18 0.00 0.00 61.69 58.95 1ncu s THR 50 Cb -0.01 -2.08 0.44 0.00 1.34 0.00 0.00 72.50 72.19 1ncu s THR 50 CO 0.10 -0.48 1.12 0.41 -0.54 0.00 0.00 174.62 175.24 1ncu n THR 51 N -0.17 0.68 0.00 3.99 -1.04 -0.20 -4.92 114.28 112.62 1ncu n THR 51 Ca -0.06 -2.47 0.00 0.00 -2.04 0.00 0.00 64.05 59.48 1ncu n THR 51 Cb 0.63 0.85 0.00 0.00 -1.82 0.00 0.00 70.33 70.00 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 -0.36 0.00 -0.39 -2.82 5.02 -1.26 -3.10 118.16 115.25 1ncu n LYS 52 Ca 0.04 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.42 1ncu n LYS 52 Cb 0.83 0.00 0.28 0.00 -0.02 0.00 0.00 35.03 36.12 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 0.98 -3.50 2.13 4.01 -1.26 -3.87 117.16 115.65 1ncu n TYR 53 Ca 0.00 -0.56 -0.08 0.00 -0.16 0.00 0.00 57.90 57.11 1ncu n TYR 53 Cb 0.00 -0.10 -0.08 0.00 -0.31 0.00 0.00 39.34 38.85 1ncu n TYR 53 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1ncu s LYS 54 N -1.36 0.35 0.55 -0.72 -2.85 -1.18 0.63 119.74 115.16 1ncu s LYS 54 Ca 0.42 0.84 0.04 0.00 -1.00 0.00 0.00 55.97 56.28 1ncu s LYS 54 Cb 0.25 0.03 0.05 0.00 -2.06 0.00 0.00 37.83 36.10 1ncu s LYS 54 CO 0.25 -0.43 0.76 0.45 0.10 0.00 0.00 175.35 176.47 1ncu s SER 55 N 2.61 5.20 -0.17 0.03 0.15 -0.16 -1.03 113.70 120.33 1ncu s SER 55 Ca 0.05 -0.33 -0.09 0.00 0.70 0.00 0.00 55.95 56.28 1ncu s SER 55 Cb -0.14 -0.47 0.06 0.00 -1.71 0.00 0.00 66.02 63.76 1ncu s SER 55 CO -0.15 -1.19 0.41 0.42 1.20 0.00 0.00 173.24 173.93 1ncu s THR 56 N -2.69 -0.02 -0.12 6.45 -4.23 -0.86 -1.29 115.64 112.87 1ncu s THR 56 Ca 0.59 0.09 0.02 0.00 -1.18 0.00 0.00 61.69 61.21 1ncu s THR 56 Cb -0.09 -0.60 0.01 0.00 1.34 0.00 0.00 72.50 73.16 1ncu s THR 56 CO 0.38 0.04 -0.17 0.12 -0.54 0.00 0.00 174.62 174.45 1ncu s PHE 57 N 1.36 2.18 0.00 3.99 5.36 -0.13 -1.39 117.98 129.36 1ncu s PHE 57 Ca -0.09 -1.08 0.05 0.00 -0.96 0.00 0.00 56.93 54.85 1ncu s PHE 57 Cb -0.08 -1.55 -0.02 0.00 -0.34 0.00 0.00 43.02 41.03 1ncu s PHE 57 CO -0.12 -0.55 -0.17 -1.83 -1.46 0.00 0.00 175.22 171.09 1ncu s GLU 58 N 1.04 1.29 -0.10 10.12 4.04 -0.85 -0.04 118.70 134.19 1ncu s GLU 58 Ca -0.05 -0.66 -0.01 0.00 0.04 0.00 0.00 54.97 54.29 1ncu s GLU 58 Cb -0.15 -1.27 -0.03 0.00 0.02 0.00 0.00 34.13 32.70 1ncu s GLU 58 CO -0.03 0.34 -0.06 0.42 -1.84 0.00 0.00 175.26 174.09 1ncu s ILE 59 N -0.51 3.76 -0.10 1.83 1.01 -1.22 -2.32 121.20 123.65 1ncu s ILE 59 Ca 0.06 -0.44 -0.16 0.00 0.00 0.00 0.00 60.65 60.12 1ncu s ILE 59 Cb -0.07 -2.58 0.04 0.00 0.01 0.00 0.00 42.46 39.86 1ncu s ILE 59 CO -0.00 0.56 0.40 -0.44 0.00 0.00 0.00 174.94 175.45 1ncu s SER 60 N -0.32 -0.37 0.00 3.58 0.01 -1.26 -3.68 113.70 111.67 1ncu s SER 60 Ca 0.05 0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.90 1ncu s SER 60 Cb -0.13 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1ncu s SER 60 CO 0.02 -0.27 0.00 -0.24 0.41 0.00 0.00 173.24 173.17 1ncu n SER 61 N 2.24 -0.62 -4.36 2.44 2.88 -1.18 -4.63 113.62 110.38 1ncu n SER 61 Ca -0.16 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.02 1ncu n SER 61 Cb 0.57 -1.54 0.07 0.00 -0.75 0.00 0.00 64.21 62.56 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 -2.06 0.89 -1.25 2.46 3.14 -1.26 -4.73 118.33 115.52 1ncu n VAL 62 Ca 0.00 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 61.01 1ncu n VAL 62 Cb 0.04 -0.52 0.00 0.00 -1.06 0.00 0.00 33.84 32.29 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 -0.26 2.61 -1.03 1.45 10.64 -1.26 -3.80 117.38 125.73 1ncu n GLN 63 Ca 0.07 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 55.03 1ncu n GLN 63 Cb 0.51 0.00 0.14 0.00 -0.86 0.00 0.00 30.24 30.03 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 5.16 -2.67 2.61 0.00 -1.26 -4.37 120.51 116.98 1ncu n ALA 64 Ca 0.00 -2.43 -0.09 0.00 0.00 0.00 0.00 53.44 50.92 1ncu n ALA 64 Cb 0.00 -1.40 0.03 0.00 0.00 0.00 0.00 19.45 18.08 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 1.82 -0.37 0.00 2.88 -1.26 -4.84 113.62 111.05 1ncu n SER 65 Ca 0.49 -2.67 0.07 0.00 -1.33 0.00 0.00 58.87 55.44 1ncu n SER 65 Cb 1.35 -0.51 0.14 0.00 -0.75 0.00 0.00 64.21 64.44 1ncu n SER 65 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1ncu n ASP 66 N -0.23 1.82 0.00 -3.46 9.92 -1.26 -5.01 116.55 118.34 1ncu n ASP 66 Ca 0.12 -3.18 0.00 0.00 -0.53 0.00 0.00 54.79 51.20 1ncu n ASP 66 Cb 0.81 -0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.86 1ncu n ASP 66 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1ncu n GLU 67 N -1.07 0.00 0.00 -1.24 0.00 -1.26 -4.68 120.64 112.39 1ncu n GLU 67 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.31 1ncu n GLU 67 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.13 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 0.00 3.73 -1.84 0.00 -1.24 -3.10 105.19 102.74 1ncu n GLY 68 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.25 6.86 0.04 1.61 3.84 -1.26 0.30 114.94 124.08 1ncu s ASN 69 Ca 0.00 1.03 -0.09 0.00 0.21 0.00 0.00 52.86 54.01 1ncu s ASN 69 Cb 0.00 -2.35 0.00 0.00 -0.55 0.00 0.00 41.25 38.35 1ncu s ASN 69 CO 0.00 -0.04 0.19 -0.31 -2.79 0.00 0.00 177.10 174.16 1ncu s TYR 70 N 0.58 0.05 0.15 0.43 2.02 -0.70 -4.70 117.35 115.18 1ncu s TYR 70 Ca 0.32 -0.25 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 1ncu s TYR 70 Cb -0.17 -0.03 -0.00 0.00 -0.40 0.00 0.00 41.96 41.36 1ncu s TYR 70 CO 0.15 -0.42 0.18 -1.13 -1.57 0.00 0.00 175.55 172.76 1ncu n SER 71 N 0.76 -0.49 -3.40 2.29 3.41 -1.17 -2.36 113.62 112.65 1ncu n SER 71 Ca -0.19 -1.85 -0.12 0.00 -0.26 0.00 0.00 58.87 56.44 1ncu n SER 71 Cb 0.59 0.97 -0.10 0.00 -0.26 0.00 0.00 64.21 65.40 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 -2.59 -0.50 -0.60 -3.33 0.11 -0.62 -1.01 120.40 111.86 1ncu s VAL 72 Ca 0.14 -0.09 -0.22 0.00 -2.93 0.00 0.00 61.98 58.88 1ncu s VAL 72 Cb -0.00 -0.77 0.07 0.00 -1.53 0.00 0.00 36.38 34.15 1ncu s VAL 72 CO 0.10 -0.16 0.87 0.68 -3.33 0.00 0.00 175.10 173.26 1ncu s VAL 73 N 2.47 4.49 -0.34 2.04 -7.23 0.32 -1.15 120.40 121.00 1ncu s VAL 73 Ca 0.11 -0.31 -0.22 0.00 -1.81 0.00 0.00 61.98 59.74 1ncu s VAL 73 Cb -0.15 -4.56 0.00 0.00 0.56 0.00 0.00 36.38 32.23 1ncu s VAL 73 CO -0.15 -1.23 0.74 0.54 -0.31 0.00 0.00 175.10 174.70 1ncu s VAL 74 N 3.62 4.80 0.14 1.32 0.11 0.13 -2.84 120.40 127.68 1ncu s VAL 74 Ca 0.22 0.90 0.05 0.00 -2.93 0.00 0.00 61.98 60.21 1ncu s VAL 74 Cb -0.17 -4.15 -0.04 0.00 -1.53 0.00 0.00 36.38 30.49 1ncu s VAL 74 CO 0.12 -0.33 -0.11 -1.61 -3.33 0.00 0.00 175.10 169.84 1ncu s GLU 75 N 2.94 1.05 0.00 1.54 2.02 0.02 -1.92 118.70 124.35 1ncu s GLU 75 Ca 0.30 -1.38 0.00 0.00 0.02 0.00 0.00 54.97 53.90 1ncu s GLU 75 Cb -0.14 -0.71 0.00 0.00 0.10 0.00 0.00 34.13 33.38 1ncu s GLU 75 CO 0.15 0.11 0.00 -1.71 0.02 0.00 0.00 175.26 173.82 1ncu n ASN 76 N 0.03 0.00 -0.24 -0.19 5.15 -0.56 -1.13 115.26 118.31 1ncu n ASN 76 Ca -0.12 -0.16 0.24 0.00 -0.60 0.00 0.00 54.58 53.94 1ncu n ASN 76 Cb 0.59 0.00 0.43 0.00 -0.53 0.00 0.00 39.78 40.28 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 -0.22 0.24 -0.45 1.20 3.41 -1.26 -3.34 113.62 113.20 1ncu n SER 77 Ca 0.00 1.19 -0.00 0.00 -0.26 0.00 0.00 58.87 59.80 1ncu n SER 77 Cb 0.00 -0.58 -0.00 0.00 -0.26 0.00 0.00 64.21 63.37 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 -4.60 0.00 -4.03 4.33 0.28 -1.26 -5.09 120.64 110.27 1ncu n GLU 78 Ca 0.28 -0.03 -0.34 0.00 -0.16 0.00 0.00 57.16 56.91 1ncu n GLU 78 Cb 0.96 0.01 -0.15 0.00 1.43 0.00 0.00 31.44 33.69 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 -0.03 1.49 -0.47 -1.84 0.00 -1.21 -4.70 107.32 100.56 1ncu s GLY 79 Ca 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 44.72 43.53 1ncu s GLY 79 CO 0.00 0.35 0.21 1.25 0.00 0.00 0.00 173.10 174.92 1ncu s LYS 80 N 1.36 1.90 0.24 2.90 2.36 -1.26 -1.50 119.74 125.74 1ncu s LYS 80 Ca 0.05 -2.35 0.01 0.00 -2.55 0.00 0.00 55.97 51.13 1ncu s LYS 80 Cb -0.14 -3.35 -0.05 0.00 -1.05 0.00 0.00 37.83 33.25 1ncu s LYS 80 CO -0.09 -1.06 0.12 -1.14 1.55 0.00 0.00 175.35 174.73 1ncu s GLN 81 N 0.17 1.36 0.15 4.03 0.74 -0.81 -5.03 119.66 120.28 1ncu s GLN 81 Ca 0.15 -1.74 -0.01 0.00 0.05 0.00 0.00 55.36 53.81 1ncu s GLN 81 Cb -0.23 -0.05 0.01 0.00 1.10 0.00 0.00 33.01 33.84 1ncu s GLN 81 CO -0.03 -0.35 0.22 -0.85 -0.55 0.00 0.00 175.29 173.73 1ncu n GLU 82 N -0.41 0.31 -3.82 1.67 -0.00 -1.26 0.17 120.64 117.30 1ncu n GLU 82 Ca 0.01 -1.12 -0.13 0.00 -0.00 0.00 0.00 57.16 55.92 1ncu n GLU 82 Cb 0.66 1.11 -0.14 0.00 -0.00 0.00 0.00 31.44 33.07 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 -1.98 -0.10 -0.06 -1.84 0.00 -0.30 -4.86 121.76 112.62 1ncu s ALA 83 Ca 0.11 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.36 1ncu s ALA 83 Cb -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 1ncu s ALA 83 CO 0.08 -0.06 -0.15 -1.21 0.00 0.00 0.00 175.76 174.42 1ncu s GLU 84 N 0.43 2.66 0.32 0.00 0.41 -1.26 -1.58 118.70 119.67 1ncu s GLU 84 Ca -0.03 -0.72 -0.08 0.00 -0.41 0.00 0.00 54.97 53.73 1ncu s GLU 84 Cb -0.05 -2.40 0.03 0.00 -1.78 0.00 0.00 34.13 29.93 1ncu s GLU 84 CO -0.02 0.53 0.56 1.97 -0.49 0.00 0.00 175.26 177.81 1ncu n PHE 85 N 2.58 -1.80 -3.69 1.61 1.16 -1.00 -4.93 117.46 111.40 1ncu n PHE 85 Ca -0.17 -1.73 -0.12 0.00 -1.87 0.00 0.00 57.45 53.55 1ncu n PHE 85 Cb 0.52 0.65 -0.13 0.00 -1.61 0.00 0.00 39.48 38.91 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 -2.46 -0.27 -0.28 1.97 -4.23 -1.26 -1.71 115.64 107.40 1ncu s THR 86 Ca 0.18 0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 60.88 1ncu s THR 86 Cb -0.03 -0.45 0.04 0.00 1.34 0.00 0.00 72.50 73.40 1ncu s THR 86 CO 0.13 0.09 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.53 1ncu s LEU 87 N 1.95 3.65 0.38 4.79 2.01 0.89 -2.05 118.68 130.30 1ncu s LEU 87 Ca -0.04 -1.06 0.02 0.00 0.01 0.00 0.00 54.13 53.07 1ncu s LEU 87 Cb -0.11 -1.72 -0.02 0.00 0.01 0.00 0.00 46.19 44.35 1ncu s LEU 87 CO -0.09 -0.21 0.56 -0.89 1.01 0.00 0.00 176.35 176.73 1ncu s THR 88 N 1.31 4.45 -0.44 5.49 2.01 -1.02 -3.68 115.64 123.76 1ncu s THR 88 Ca -0.02 -0.64 0.05 0.00 0.31 0.00 0.00 61.69 61.39 1ncu s THR 88 Cb -0.18 -3.61 0.19 0.00 0.01 0.00 0.00 72.50 68.91 1ncu s THR 88 CO -0.02 -0.36 0.49 2.30 -0.69 0.00 0.00 174.62 176.35 1ncu n ILE 89 N -1.84 -0.78 0.00 1.82 -6.64 -1.18 -1.67 119.36 109.07 1ncu n ILE 89 Ca -0.02 -2.75 0.00 0.00 -1.77 0.00 0.00 62.75 58.22 1ncu n ILE 89 Cb 0.57 -0.82 0.00 0.00 -1.44 0.00 0.00 39.64 37.95 1ncu n ILE 89 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1ncu n GLN 90 N 2.64 0.08 -0.32 6.28 1.13 -0.43 -4.67 117.38 122.08 1ncu n GLN 90 Ca 0.25 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.31 1ncu n GLN 90 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.86 1ncu n GLN 90 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79