#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgq n THR 3 N 0.00 0.00 0.00 3.15 -1.04 -1.26 -5.01 114.28 110.12 2hgq n THR 3 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2hgq n THR 3 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2hgq n THR 3 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2hgq n TYR 4 N 0.00 0.00 -2.42 -1.42 4.02 -1.26 -5.12 117.16 110.96 2hgq n TYR 4 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.53 2hgq n TYR 4 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 2hgq n TYR 4 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2hgq s VAL 5 N -1.09 3.47 0.13 -0.72 -7.23 -1.26 -4.77 120.40 108.93 2hgq s VAL 5 Ca 0.00 1.08 -0.31 0.00 -1.81 0.00 0.00 61.98 60.94 2hgq s VAL 5 Cb 0.00 -3.53 -0.09 0.00 0.56 0.00 0.00 36.38 33.32 2hgq s VAL 5 CO 0.00 -0.04 1.52 -2.16 -0.31 0.00 0.00 175.10 174.11 2hgq s PRO 6 N -2.71 4.24 0.00 4.82 0.04 -1.26 -4.84 135.00 135.29 2hgq s PRO 6 Ca 0.62 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.92 2hgq s PRO 6 Cb -0.24 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.05 2hgq s PRO 6 CO 0.29 -0.57 0.00 0.36 0.04 0.00 0.00 177.00 177.12 2hgq n LYS 7 N 4.22 0.00 -3.57 4.56 -0.00 -1.26 -5.03 118.16 117.08 2hgq n LYS 7 Ca 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.36 2hgq n LYS 7 Cb 0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.39 2hgq n LYS 7 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2hgq s GLN 8 N 0.00 0.57 0.00 -1.58 -1.52 -1.26 -5.05 119.66 110.82 2hgq s GLN 8 Ca 0.00 0.01 0.00 0.00 -1.95 0.00 0.00 55.36 53.42 2hgq s GLN 8 Cb 0.00 0.27 0.00 0.00 -0.22 0.00 0.00 33.01 33.06 2hgq s GLN 8 CO 0.00 -0.20 0.00 1.33 -0.25 0.00 0.00 175.29 176.17 2hgq n VAL 9 N 0.41 0.00 -3.43 1.09 0.24 -1.26 -4.80 118.33 110.58 2hgq n VAL 9 Ca -0.08 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.78 2hgq n VAL 9 Cb 0.59 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.90 2hgq n VAL 9 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2hgq s GLU 10 N 0.00 2.95 -0.21 7.34 2.12 -1.26 -5.07 118.70 124.57 2hgq s GLU 10 Ca 0.00 -2.00 -0.16 0.00 0.36 0.00 0.00 54.97 53.17 2hgq s GLU 10 Cb 0.00 -4.17 -0.04 0.00 0.26 0.00 0.00 34.13 30.18 2hgq s GLU 10 CO 0.00 -1.27 0.41 -1.25 -0.54 0.00 0.00 175.26 172.61 2hgq s PRO 11 N 1.01 4.15 -0.04 4.30 0.04 -1.26 -4.90 135.00 138.29 2hgq s PRO 11 Ca 0.09 0.20 -0.02 0.00 0.04 0.00 0.00 61.00 61.32 2hgq s PRO 11 Cb -0.23 -3.56 0.03 0.00 0.04 0.00 0.00 34.50 30.78 2hgq s PRO 11 CO -0.02 -0.09 0.10 -0.98 0.04 0.00 0.00 177.00 176.05 2hgq s ARG 12 N 1.46 0.05 0.41 4.56 3.03 -1.26 -5.10 118.95 122.10 2hgq s ARG 12 Ca 0.19 0.27 0.07 0.00 2.03 0.00 0.00 55.73 58.29 2hgq s ARG 12 Cb -0.15 -0.17 -0.07 0.00 -1.03 0.00 0.00 34.95 33.54 2hgq s ARG 12 CO 0.08 -0.14 0.09 -1.58 -1.13 0.00 0.00 175.30 172.62 2hgq s TRP 13 N 0.95 2.56 -0.25 5.89 0.23 -1.25 -1.07 118.94 125.99 2hgq s TRP 13 Ca -0.08 -0.62 -0.26 0.00 -2.03 0.00 0.00 56.10 53.12 2hgq s TRP 13 Cb -0.10 -1.85 0.08 0.00 0.03 0.00 0.00 33.47 31.63 2hgq s TRP 13 CO -0.04 0.32 0.79 0.08 0.96 0.00 0.00 176.95 179.06 2hgq s VAL 14 N -2.65 0.00 -0.25 4.03 1.01 -0.35 -3.73 120.40 118.47 2hgq s VAL 14 Ca 0.38 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 62.16 2hgq s VAL 14 Cb 0.06 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 2hgq s VAL 14 CO 0.20 0.00 0.59 -0.76 0.00 0.00 0.00 175.10 175.13 2hgq s LEU 15 N 0.17 4.07 -0.08 3.92 1.43 0.52 -0.92 118.68 127.79 2hgq s LEU 15 Ca -0.00 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 2hgq s LEU 15 Cb -0.04 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.35 2hgq s LEU 15 CO 0.00 -0.33 -0.06 -0.63 0.23 0.00 0.00 176.35 175.57 2hgq s ILE 16 N 2.34 3.77 0.04 -0.59 1.09 -0.13 -1.51 121.20 126.20 2hgq s ILE 16 Ca 0.25 -0.45 -0.16 0.00 -1.10 0.00 0.00 60.65 59.19 2hgq s ILE 16 Cb -0.16 -2.55 -0.08 0.00 -1.06 0.00 0.00 42.46 38.61 2hgq s ILE 16 CO 0.09 0.59 1.24 -0.78 -0.10 0.00 0.00 174.94 175.98 2hgq h ASP 17 N 5.38 -0.59 0.00 3.58 1.82 -1.61 -1.57 116.42 123.43 2hgq h ASP 17 Ca -0.47 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 2hgq h ASP 17 Cb 1.18 0.19 0.00 0.00 0.68 0.00 0.00 39.33 41.38 2hgq h ASP 17 CO 0.53 -0.30 0.00 0.00 -1.61 0.00 0.00 179.24 177.86 2hgq n ALA 18 N -2.47 0.00 -0.62 -0.78 0.00 -1.26 -3.62 120.51 111.77 2hgq n ALA 18 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 2hgq n ALA 18 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.65 2hgq n ALA 18 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2hgq n GLU 19 N 0.00 0.00 0.00 0.00 2.13 -1.14 0.16 120.64 121.78 2hgq n GLU 19 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2hgq n GLU 19 Cb 0.00 -0.45 0.00 0.00 0.27 0.00 0.00 31.44 31.26 2hgq n GLU 19 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hgq n GLY 20 N 0.95 0.92 3.44 8.31 0.00 -0.35 -4.91 105.19 113.55 2hgq n GLY 20 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2hgq n GLY 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgq n LYS 21 N 0.00 -1.83 -4.30 1.61 5.02 0.12 -4.24 118.16 114.54 2hgq n LYS 21 Ca 0.00 -0.50 -0.33 0.00 -2.02 0.00 0.00 58.31 55.46 2hgq n LYS 21 Cb 0.00 -2.04 -0.09 0.00 -0.02 0.00 0.00 35.03 32.88 2hgq n LYS 21 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2hgq s THR 22 N -2.39 4.15 0.00 -0.18 -1.32 -1.26 -1.15 115.64 113.49 2hgq s THR 22 Ca 0.64 -0.57 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 2hgq s THR 22 Cb -0.21 -2.84 0.00 0.00 -1.51 0.00 0.00 72.50 67.94 2hgq s THR 22 CO 0.65 0.40 0.00 0.18 -2.21 0.00 0.00 174.62 173.64 2hgq n LEU 23 N 1.48 0.00 0.00 9.08 4.77 -0.42 -1.41 117.00 130.50 2hgq n LEU 23 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2hgq n LEU 23 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2hgq n LEU 23 CO 0.33 0.00 0.34 0.61 -1.33 0.00 0.00 177.39 177.34 2hgq n GLY 24 N 0.00 -3.42 0.30 -0.72 0.00 -1.26 -1.24 105.19 98.85 2hgq n GLY 24 Ca 0.00 0.64 0.01 0.00 0.00 0.00 0.00 46.02 46.67 2hgq n GLY 24 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2hgq n ARG 25 N -1.62 -0.15 -0.36 1.61 1.85 -1.26 0.29 116.66 117.02 2hgq n ARG 25 Ca 0.00 1.23 0.05 0.00 -1.00 0.00 0.00 57.85 58.13 2hgq n ARG 25 Cb 0.00 -1.82 0.21 0.00 -1.05 0.00 0.00 32.46 29.80 2hgq n ARG 25 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2hgq h LEU 26 N 0.00 0.97 0.08 2.89 5.85 -0.86 -0.41 115.31 123.84 2hgq h LEU 26 Ca 0.31 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 2hgq h LEU 26 Cb 0.51 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 2hgq h LEU 26 CO -0.80 0.56 -0.06 0.00 -0.34 0.00 0.00 178.44 177.81 2hgq h ALA 27 N 1.50 -0.86 -0.29 1.25 0.00 0.57 0.18 119.26 121.61 2hgq h ALA 27 Ca 0.47 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.41 2hgq h ALA 27 Cb 0.35 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2hgq h ALA 27 CO -0.23 -0.86 -0.08 0.25 0.00 0.00 0.00 179.25 178.34 2hgq n THR 28 N -2.60 -0.12 0.00 0.00 -2.24 -0.07 -0.11 114.28 109.14 2hgq n THR 28 Ca -0.02 0.67 0.00 0.00 -2.27 0.00 0.00 64.05 62.44 2hgq n THR 28 Cb 0.06 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.36 2hgq n THR 28 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2hgq n LYS 29 N -4.48 0.00 -0.12 -0.78 5.02 -0.50 -1.27 118.16 116.04 2hgq n LYS 29 Ca 0.05 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.39 2hgq n LYS 29 Cb 0.15 -0.84 0.11 0.00 -0.02 0.00 0.00 35.03 34.43 2hgq n LYS 29 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2hgq n ILE 30 N -0.37 -0.15 0.00 -0.18 5.41 0.84 -0.68 119.36 124.24 2hgq n ILE 30 Ca 0.00 0.76 0.00 0.00 1.00 0.00 0.00 62.75 64.51 2hgq n ILE 30 Cb 0.00 -1.12 0.00 0.00 -0.71 0.00 0.00 39.64 37.81 2hgq n ILE 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2hgq n ALA 31 N -3.41 0.00 -0.46 -1.39 0.00 0.71 -1.08 120.51 114.89 2hgq n ALA 31 Ca 0.09 0.00 0.37 0.00 0.00 0.00 0.00 53.44 53.90 2hgq n ALA 31 Cb 0.29 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.35 2hgq n ALA 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2hgq n THR 32 N 0.00 -0.15 -0.33 0.00 -1.04 0.15 0.20 114.28 113.11 2hgq n THR 32 Ca 0.00 1.44 -0.11 0.00 -2.04 0.00 0.00 64.05 63.33 2hgq n THR 32 Cb 0.00 -2.36 -0.09 0.00 -1.82 0.00 0.00 70.33 66.05 2hgq n THR 32 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2hgq h LEU 33 N 0.00 -2.04 -5.93 -4.42 7.12 -0.52 0.62 115.31 110.13 2hgq h LEU 33 Ca 0.76 0.30 -0.10 0.00 0.13 0.00 0.00 57.88 58.97 2hgq h LEU 33 Cb 2.64 0.89 0.01 0.00 -0.53 0.00 0.00 40.66 43.67 2hgq h LEU 33 CO -0.27 -0.28 1.33 0.18 -0.13 0.00 0.00 178.44 179.27 2hgq n LEU 34 N -5.30 1.02 0.00 2.25 4.32 0.54 -3.77 117.00 116.06 2hgq n LEU 34 Ca 0.01 -1.40 0.00 0.00 -0.02 0.00 0.00 56.01 54.60 2hgq n LEU 34 Cb 0.29 -0.62 0.00 0.00 -1.62 0.00 0.00 43.42 41.47 2hgq n LEU 34 CO -0.11 -0.91 0.00 0.54 -1.22 0.00 0.00 177.39 175.69 2hgq n ARG 35 N 4.98 2.95 0.00 3.23 1.74 0.22 -4.36 116.66 125.42 2hgq n ARG 35 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 2hgq n ARG 35 Cb 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.48 2hgq n ARG 35 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hgq n GLY 36 N 0.00 0.00 2.63 -0.13 0.00 -1.18 -3.09 105.19 103.42 2hgq n GLY 36 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2hgq n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgq s LYS 37 N 0.00 0.29 0.00 1.61 3.01 -1.26 0.33 119.74 123.72 2hgq s LYS 37 Ca 0.00 -0.45 0.00 0.00 -1.01 0.00 0.00 55.97 54.51 2hgq s LYS 37 Cb 0.00 -0.95 0.00 0.00 -1.01 0.00 0.00 37.83 35.87 2hgq s LYS 37 CO 0.00 -1.05 0.00 1.58 0.51 0.00 0.00 175.35 176.39 2hgq n HIS 38 N 5.14 0.00 -4.10 3.18 -0.00 -1.26 -5.03 115.22 113.14 2hgq n HIS 38 Ca -0.02 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.88 2hgq n HIS 38 Cb 0.44 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.24 2hgq n HIS 38 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 2hgq s ARG 39 N 0.00 2.74 0.68 1.57 3.52 -1.26 -5.06 118.95 121.14 2hgq s ARG 39 Ca 0.00 -0.87 -0.12 0.00 -0.13 0.00 0.00 55.73 54.61 2hgq s ARG 39 Cb 0.00 -2.59 -0.11 0.00 -1.56 0.00 0.00 34.95 30.69 2hgq s ARG 39 CO 0.00 0.51 -0.53 -0.35 -0.81 0.00 0.00 175.30 174.12 2hgq n PRO 40 N 0.03 0.00 -3.53 5.12 -0.04 -1.26 -2.94 135.00 132.39 2hgq n PRO 40 Ca -0.09 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.13 2hgq n PRO 40 Cb 0.54 -0.71 -0.02 0.00 -0.04 0.00 0.00 33.50 33.26 2hgq n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2hgq n ASP 41 N 2.42 -2.72 -4.58 3.54 8.00 -1.26 -4.85 116.55 117.10 2hgq n ASP 41 Ca -0.01 -0.46 -0.41 0.00 0.71 0.00 0.00 54.79 54.62 2hgq n ASP 41 Cb 0.39 -2.30 -0.03 0.00 -0.02 0.00 0.00 41.12 39.16 2hgq n ASP 41 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 2hgq s TRP 42 N -2.85 1.95 -1.19 1.24 -2.14 -1.15 -4.69 118.94 110.11 2hgq s TRP 42 Ca 0.45 0.65 0.00 0.00 2.66 0.00 0.00 56.10 59.86 2hgq s TRP 42 Cb -0.25 -4.20 0.00 0.00 -3.10 0.00 0.00 33.47 25.93 2hgq s TRP 42 CO 0.55 -2.43 0.00 0.25 -2.66 0.00 0.00 176.95 172.66 2hgq n THR 43 N 7.20 0.00 -0.03 0.66 -2.24 1.01 -4.58 114.28 116.31 2hgq n THR 43 Ca 0.19 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.96 2hgq n THR 43 Cb 0.49 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 2hgq n THR 43 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2hgq n PRO 44 N 0.00 -0.04 0.00 -0.78 -0.04 -1.26 -1.12 135.00 131.76 2hgq n PRO 44 Ca 0.00 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 2hgq n PRO 44 Cb 0.00 -1.07 0.02 0.00 -0.04 0.00 0.00 33.50 32.40 2hgq n PRO 44 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2hgq n ASN 45 N -2.94 0.00 0.00 3.54 4.13 -1.26 -4.91 115.26 113.82 2hgq n ASN 45 Ca 0.00 -0.33 0.00 0.00 1.68 0.00 0.00 54.58 55.93 2hgq n ASN 45 Cb 0.02 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.26 2hgq n ASN 45 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2hgq n VAL 46 N -0.55 0.00 0.00 2.41 0.31 -0.28 -5.13 118.33 115.09 2hgq n VAL 46 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2hgq n VAL 46 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2hgq n VAL 46 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hgq n ALA 47 N -1.00 0.00 0.00 3.52 0.00 -1.26 -1.63 120.51 120.14 2hgq n ALA 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgq n ALA 47 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgq n ALA 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2hgq n MET 48 N 1.78 0.00 0.00 0.00 2.81 -1.26 -3.11 117.12 117.34 2hgq n MET 48 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2hgq n MET 48 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 2hgq n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2hgq n GLY 49 N 0.00 3.08 1.80 3.03 0.00 -1.18 -4.49 105.19 107.44 2hgq n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgq n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hgq n ASP 50 N 0.17 -6.48 -4.55 1.61 8.00 -1.26 -3.34 116.55 110.69 2hgq n ASP 50 Ca 0.00 1.27 -0.40 0.00 0.71 0.00 0.00 54.79 56.37 2hgq n ASP 50 Cb 0.00 -4.03 -0.03 0.00 -0.02 0.00 0.00 41.12 37.04 2hgq n ASP 50 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2hgq s PHE 51 N -1.68 2.11 -0.10 1.24 0.40 -0.24 -4.68 117.98 115.03 2hgq s PHE 51 Ca 0.00 0.17 -0.02 0.00 -0.60 0.00 0.00 56.93 56.47 2hgq s PHE 51 Cb 0.00 -4.48 -0.03 0.00 0.51 0.00 0.00 43.02 39.02 2hgq s PHE 51 CO 0.00 -2.14 -0.00 0.54 0.70 0.00 0.00 175.22 174.32 2hgq s VAL 52 N 6.69 4.26 -0.02 -0.44 0.11 -0.27 -1.20 120.40 129.53 2hgq s VAL 52 Ca 0.45 -0.26 0.01 0.00 -2.93 0.00 0.00 61.98 59.25 2hgq s VAL 52 Cb -0.09 -2.81 0.01 0.00 -1.53 0.00 0.00 36.38 31.96 2hgq s VAL 52 CO 0.16 0.58 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.77 2hgq s VAL 53 N -0.64 0.48 0.03 2.04 1.01 -0.10 -1.02 120.40 122.20 2hgq s VAL 53 Ca 0.10 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 61.97 2hgq s VAL 53 Cb -0.12 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 2hgq s VAL 53 CO 0.02 0.17 -0.19 0.54 0.00 0.00 0.00 175.10 175.65 2hgq s VAL 54 N 0.38 1.50 0.03 2.92 0.11 -0.43 -0.96 120.40 123.94 2hgq s VAL 54 Ca -0.05 -1.05 0.00 0.00 -2.93 0.00 0.00 61.98 57.95 2hgq s VAL 54 Cb -0.08 -1.30 0.00 0.00 -1.53 0.00 0.00 36.38 33.47 2hgq s VAL 54 CO -0.00 0.21 0.00 0.55 -3.33 0.00 0.00 175.10 172.54 2hgq n VAL 55 N 2.05 0.00 -1.58 2.04 3.14 -0.59 -0.82 118.33 122.57 2hgq n VAL 55 Ca -0.17 -0.13 -0.09 0.00 -2.96 0.00 0.00 64.34 60.99 2hgq n VAL 55 Cb 0.54 -0.05 -0.03 0.00 -1.06 0.00 0.00 33.84 33.24 2hgq n VAL 55 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2hgq n ASN 56 N -1.17 -2.50 -0.35 6.55 3.02 -0.40 -3.53 115.26 116.88 2hgq n ASN 56 Ca -0.01 0.23 0.07 0.00 -0.03 0.00 0.00 54.58 54.84 2hgq n ASN 56 Cb 0.04 -2.40 0.15 0.00 -0.61 0.00 0.00 39.78 36.95 2hgq n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hgq n ALA 57 N -0.63 0.26 -1.00 5.41 0.00 -1.09 -2.90 120.51 120.57 2hgq n ALA 57 Ca -0.09 1.06 0.00 0.00 0.00 0.00 0.00 53.44 54.41 2hgq n ALA 57 Cb 0.37 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.17 2hgq n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2hgq n ASP 58 N -5.56 0.00 0.00 0.00 5.75 -1.26 -3.87 116.55 111.62 2hgq n ASP 58 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 2hgq n ASP 58 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 2hgq n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2hgq n LYS 59 N 0.00 0.00 -3.40 0.11 5.02 -1.23 -4.73 118.16 113.93 2hgq n LYS 59 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 2hgq n LYS 59 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 2hgq n LYS 59 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2hgq s ILE 60 N 0.00 5.10 -0.02 -0.18 1.01 -1.25 -1.21 121.20 124.65 2hgq s ILE 60 Ca 0.00 -0.33 -0.18 0.00 0.00 0.00 0.00 60.65 60.14 2hgq s ILE 60 Cb 0.00 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 2hgq s ILE 60 CO 0.00 -0.46 0.50 -0.60 0.00 0.00 0.00 174.94 174.38 2hgq s ARG 61 N -4.03 4.19 0.22 2.79 3.52 -0.30 -4.85 118.95 120.49 2hgq s ARG 61 Ca 0.41 0.56 -0.30 0.00 -0.13 0.00 0.00 55.73 56.26 2hgq s ARG 61 Cb -0.10 -3.32 -0.08 0.00 -1.56 0.00 0.00 34.95 29.89 2hgq s ARG 61 CO 0.34 0.44 1.05 0.08 -0.81 0.00 0.00 175.30 176.40 2hgq s VAL 62 N -0.35 3.83 -0.17 7.11 1.01 -1.26 -1.30 120.40 129.28 2hgq s VAL 62 Ca 0.27 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.97 2hgq s VAL 62 Cb -0.17 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2hgq s VAL 62 CO 0.14 0.36 0.11 0.35 0.00 0.00 0.00 175.10 176.06 2hgq n THR 63 N 1.80 0.10 -0.83 3.92 -2.24 -1.26 -4.51 114.28 111.26 2hgq n THR 63 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2hgq n THR 63 Cb 0.46 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 2hgq n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hgq n GLY 64 N 0.86 0.53 0.02 3.38 0.00 -1.26 -4.87 105.19 103.85 2hgq n GLY 64 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2hgq n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hgq h LYS 65 N 1.55 0.00 -3.64 1.61 6.56 -2.01 -3.51 116.57 117.13 2hgq h LYS 65 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2hgq h LYS 65 Cb 0.07 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 2hgq h LYS 65 CO 0.00 0.00 -0.32 0.36 -2.06 0.00 0.00 179.45 177.43 2hgq n LYS 66 N -3.07 -1.86 -1.81 3.15 2.85 -1.26 -4.81 118.16 111.35 2hgq n LYS 66 Ca -0.01 1.32 0.00 0.00 -1.05 0.00 0.00 58.31 58.57 2hgq n LYS 66 Cb 0.03 -1.80 0.00 0.00 -0.65 0.00 0.00 35.03 32.61 2hgq n LYS 66 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2hgq n LEU 67 N 1.72 -6.12 0.00 -5.58 -0.00 -1.26 -4.88 117.00 100.88 2hgq n LEU 67 Ca 0.00 3.08 0.00 0.00 -0.00 0.00 0.00 56.01 59.09 2hgq n LEU 67 Cb 0.00 -2.94 0.00 0.00 -0.00 0.00 0.00 43.42 40.48 2hgq n LEU 67 CO 0.00 -0.85 0.00 -0.62 -0.00 0.00 0.00 177.39 175.92 2hgq n GLU 68 N 0.78 0.00 -3.43 1.96 1.02 -1.26 -5.05 120.64 114.66 2hgq n GLU 68 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 2hgq n GLU 68 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 2hgq n GLU 68 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2hgq s GLN 69 N -0.05 0.37 -0.20 3.49 1.11 -1.26 -5.09 119.66 118.04 2hgq s GLN 69 Ca 0.00 -0.45 -0.02 0.00 0.01 0.00 0.00 55.36 54.89 2hgq s GLN 69 Cb 0.00 -0.83 -0.00 0.00 -1.01 0.00 0.00 33.01 31.17 2hgq s GLN 69 CO 0.00 -1.07 -0.09 0.15 0.01 0.00 0.00 175.29 174.29 2hgq s LYS 70 N 2.03 3.31 0.82 2.91 -0.14 -1.24 -1.36 119.74 126.07 2hgq s LYS 70 Ca 0.11 -0.67 -0.11 0.00 -1.36 0.00 0.00 55.97 53.94 2hgq s LYS 70 Cb -0.15 -2.87 0.10 0.00 -1.68 0.00 0.00 37.83 33.23 2hgq s LYS 70 CO -0.26 -0.13 1.17 0.42 -0.76 0.00 0.00 175.35 175.79 2hgq s ILE 71 N 1.26 2.06 0.08 2.17 -1.09 0.06 -4.67 121.20 121.07 2hgq s ILE 71 Ca 0.03 -0.07 0.02 0.00 -2.23 0.00 0.00 60.65 58.41 2hgq s ILE 71 Cb -0.14 -2.99 -0.04 0.00 -1.58 0.00 0.00 42.46 37.71 2hgq s ILE 71 CO -0.04 0.00 -0.08 -0.72 -1.23 0.00 0.00 174.94 172.88 2hgq s TYR 72 N -3.56 0.86 -0.41 3.97 -0.00 -1.26 -1.21 117.35 115.73 2hgq s TYR 72 Ca 0.64 -0.73 0.04 0.00 -0.00 0.00 0.00 57.07 57.02 2hgq s TYR 72 Cb -0.09 -0.49 0.17 0.00 -0.00 0.00 0.00 41.96 41.54 2hgq s TYR 72 CO 0.49 -0.10 0.42 0.95 -0.00 0.00 0.00 175.55 177.31 2hgq s THR 73 N -2.67 -0.20 -0.48 -3.49 -4.23 -0.60 -5.01 115.64 98.96 2hgq s THR 73 Ca 0.04 -1.61 -0.01 0.00 -1.18 0.00 0.00 61.69 58.92 2hgq s THR 73 Cb -0.01 -0.77 0.34 0.00 1.34 0.00 0.00 72.50 73.40 2hgq s THR 73 CO -0.02 -0.73 2.01 -1.14 -0.54 0.00 0.00 174.62 174.19 2hgq n ARG 74 N 3.50 2.21 -0.31 3.99 0.63 -1.26 -3.95 116.66 121.48 2hgq n ARG 74 Ca 0.19 -2.39 0.14 0.00 -0.92 0.00 0.00 57.85 54.87 2hgq n ARG 74 Cb 0.48 -1.94 0.28 0.00 0.45 0.00 0.00 32.46 31.72 2hgq n ARG 74 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2hgq n TYR 75 N -0.30 0.59 -0.77 -0.14 4.02 -1.26 -4.73 117.16 114.57 2hgq n TYR 75 Ca 0.46 1.07 0.00 0.00 -0.01 0.00 0.00 57.90 59.42 2hgq n TYR 75 Cb 0.67 -1.18 0.00 0.00 -0.02 0.00 0.00 39.34 38.80 2hgq n TYR 75 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2hgq n SER 76 N -5.28 0.00 -1.68 7.72 7.64 -1.26 -4.51 113.62 116.24 2hgq n SER 76 Ca 0.22 0.51 -0.06 0.00 1.01 0.00 0.00 58.87 60.55 2hgq n SER 76 Cb 0.71 -0.77 -0.02 0.00 -1.01 0.00 0.00 64.21 63.12 2hgq n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hgq n GLY 77 N 0.86 2.93 1.24 0.23 0.00 -1.26 -4.88 105.19 104.30 2hgq n GLY 77 Ca 0.00 -0.45 0.15 0.00 0.00 0.00 0.00 46.02 45.72 2hgq n GLY 77 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2hgq n TYR 78 N 1.42 -2.94 -3.67 1.61 4.01 -1.26 -4.54 117.16 111.79 2hgq n TYR 78 Ca 0.14 1.53 -0.11 0.00 -0.16 0.00 0.00 57.90 59.29 2hgq n TYR 78 Cb 0.58 -2.67 -0.00 0.00 -0.31 0.00 0.00 39.34 36.94 2hgq n TYR 78 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2hgq n PRO 79 N -3.76 -0.87 0.00 -0.72 -0.02 -1.26 -4.70 135.00 123.68 2hgq n PRO 79 Ca -0.03 -0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.14 2hgq n PRO 79 Cb 0.64 -0.09 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 2hgq n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hgq n GLY 80 N -1.26 3.62 2.96 -1.23 0.00 -1.26 -5.14 105.19 102.87 2hgq n GLY 80 Ca -0.04 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 2hgq n GLY 80 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hgq s GLY 81 N 0.00 0.21 -0.19 -0.02 0.00 -1.26 -4.97 107.32 101.09 2hgq s GLY 81 Ca 0.00 -0.42 0.14 0.00 0.00 0.00 0.00 44.72 44.44 2hgq s GLY 81 CO 0.00 -0.46 1.64 1.04 0.00 0.00 0.00 173.10 175.32 2hgq n LEU 82 N 2.10 5.15 -0.62 0.66 7.99 -1.26 -4.25 117.00 126.77 2hgq n LEU 82 Ca -0.20 -2.61 0.00 0.00 -0.01 0.00 0.00 56.01 53.19 2hgq n LEU 82 Cb 0.57 -0.64 0.00 0.00 -0.11 0.00 0.00 43.42 43.23 2hgq n LEU 82 CO 0.22 0.65 0.00 1.17 -1.51 0.00 0.00 177.39 177.93 2hgq n LYS 83 N 0.73 -0.21 -3.39 3.23 4.81 -1.25 -2.43 118.16 119.64 2hgq n LYS 83 Ca 0.25 0.20 -0.37 0.00 -0.87 0.00 0.00 58.31 57.52 2hgq n LYS 83 Cb 1.05 -0.16 -0.06 0.00 0.02 0.00 0.00 35.03 35.87 2hgq n LYS 83 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2hgq s LYS 84 N 0.00 4.30 0.00 1.64 1.02 -1.26 -1.55 119.74 123.89 2hgq s LYS 84 Ca 0.00 0.31 0.01 0.00 0.02 0.00 0.00 55.97 56.30 2hgq s LYS 84 Cb 0.00 -3.44 -0.00 0.00 -0.52 0.00 0.00 37.83 33.86 2hgq s LYS 84 CO 0.00 0.16 -0.02 0.42 -0.92 0.00 0.00 175.35 174.99 2hgq s ILE 85 N 0.66 0.17 0.01 2.17 1.09 -0.35 -4.96 121.20 120.00 2hgq s ILE 85 Ca 0.22 -0.23 -0.18 0.00 -1.10 0.00 0.00 60.65 59.36 2hgq s ILE 85 Cb -0.14 -0.18 -0.06 0.00 -1.06 0.00 0.00 42.46 41.02 2hgq s ILE 85 CO 0.08 -0.04 0.52 -2.84 -0.10 0.00 0.00 174.94 172.56 2hgq s PRO 86 N -0.29 4.17 0.17 2.79 0.02 -1.26 -0.76 135.00 139.84 2hgq s PRO 86 Ca -0.02 0.61 0.06 0.00 0.02 0.00 0.00 61.00 61.68 2hgq s PRO 86 Cb -0.02 -3.28 0.53 0.00 0.02 0.00 0.00 34.50 31.75 2hgq s PRO 86 CO -0.00 0.54 0.78 1.47 -0.33 0.00 0.00 177.00 179.46 2hgq n LEU 87 N 2.19 0.06 0.00 -5.54 -0.00 -0.46 -1.18 117.00 112.07 2hgq n LEU 87 Ca -0.10 0.84 0.00 0.00 -0.00 0.00 0.00 56.01 56.74 2hgq n LEU 87 Cb 0.51 -0.36 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 2hgq n LEU 87 CO 0.41 -0.89 0.25 -0.62 -0.00 0.00 0.00 177.39 176.53 2hgq n GLU 88 N -4.34 0.00 -0.21 1.47 4.71 -1.26 -1.14 120.64 119.87 2hgq n GLU 88 Ca 0.15 0.40 0.03 0.00 -0.01 0.00 0.00 57.16 57.74 2hgq n GLU 88 Cb 0.52 -0.99 0.29 0.00 -1.01 0.00 0.00 31.44 30.25 2hgq n GLU 88 CO 0.00 0.00 0.00 1.57 0.09 0.00 0.00 177.13 178.79 2hgq h LYS 89 N 0.00 0.88 0.00 3.49 -0.00 -1.94 0.02 116.57 119.02 2hgq h LYS 89 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 60.65 60.60 2hgq h LYS 89 Cb 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 32.23 32.03 2hgq h LYS 89 CO 0.00 0.58 0.00 -1.33 -0.00 0.00 0.00 179.45 178.70 2hgq n MET 90 N -4.46 0.00 0.13 0.07 2.81 -0.33 0.31 117.12 115.66 2hgq n MET 90 Ca 0.10 0.35 -0.14 0.00 -1.81 0.00 0.00 57.70 56.20 2hgq n MET 90 Cb 0.13 -0.57 -0.08 0.00 -0.71 0.00 0.00 33.22 31.99 2hgq n MET 90 CO 0.00 0.00 0.00 1.37 1.51 0.00 0.00 175.97 178.85 2hgq h LEU 91 N 0.00 -0.26 -0.07 4.03 -0.00 -0.81 0.53 115.31 118.74 2hgq h LEU 91 Ca 0.00 -0.11 0.02 0.00 -0.00 0.00 0.00 57.88 57.79 2hgq h LEU 91 Cb 0.00 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 2hgq h LEU 91 CO 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 178.44 178.39 2hgq n ALA 92 N -2.31 0.04 -0.05 0.17 0.00 0.15 0.32 120.51 118.82 2hgq n ALA 92 Ca -0.09 0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 2hgq n ALA 92 Cb 0.19 -0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 2hgq n ALA 92 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2hgq n THR 93 N -3.79 0.66 -3.06 0.00 -1.04 -0.22 -4.86 114.28 101.97 2hgq n THR 93 Ca 0.02 -0.33 -0.22 0.00 -2.04 0.00 0.00 64.05 61.48 2hgq n THR 93 Cb 0.05 -0.84 -0.03 0.00 -1.82 0.00 0.00 70.33 67.69 2hgq n THR 93 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2hgq n HIS 94 N -2.61 2.13 -0.01 -1.42 8.25 0.15 -4.93 115.22 116.78 2hgq n HIS 94 Ca -0.18 -3.91 -0.12 0.00 -0.26 0.00 0.00 57.72 53.25 2hgq n HIS 94 Cb 0.76 -0.45 -0.07 0.00 1.12 0.00 0.00 29.99 31.34 2hgq n HIS 94 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2hgq h PRO 95 N 2.99 0.10 -1.12 -0.41 0.13 -1.41 -1.01 132.00 131.26 2hgq h PRO 95 Ca 0.11 -0.03 0.31 0.00 -0.87 0.00 0.00 66.00 65.53 2hgq h PRO 95 Cb 0.74 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.75 2hgq h PRO 95 CO 0.66 0.31 0.72 1.05 -0.23 0.00 0.00 178.00 180.52 2hgq h GLU 96 N -0.14 0.28 0.20 0.86 9.09 -1.88 0.60 114.58 123.59 2hgq h GLU 96 Ca 0.02 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 2hgq h GLU 96 Cb 0.26 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.30 2hgq h GLU 96 CO 0.00 0.19 -0.10 0.00 0.05 0.00 0.00 179.01 179.15 2hgq h ARG 97 N 0.29 -0.26 -0.82 1.06 2.47 -1.73 -0.65 114.38 114.74 2hgq h ARG 97 Ca 0.65 0.02 0.14 0.00 -1.26 0.00 0.00 59.98 59.53 2hgq h ARG 97 Cb 1.82 0.06 -0.14 0.00 -1.65 0.00 0.00 29.97 30.06 2hgq h ARG 97 CO -0.32 0.10 -0.27 0.28 0.56 0.00 0.00 179.97 180.32 2hgq n VAL 98 N -4.96 -0.40 0.02 2.04 0.31 0.20 0.59 118.33 116.13 2hgq n VAL 98 Ca -0.07 1.91 -0.10 0.00 -0.01 0.00 0.00 64.34 66.06 2hgq n VAL 98 Cb 0.25 -2.56 -0.04 0.00 -0.91 0.00 0.00 33.84 30.58 2hgq n VAL 98 CO 0.00 0.00 0.00 0.17 -1.32 0.00 0.00 176.83 175.68 2hgq h LEU 99 N 0.00 -0.60 -0.42 7.52 8.10 -1.28 -0.94 115.31 127.69 2hgq h LEU 99 Ca 0.33 0.10 0.04 0.00 0.11 0.00 0.00 57.88 58.45 2hgq h LEU 99 Cb 0.53 0.27 -0.05 0.00 -0.44 0.00 0.00 40.66 40.97 2hgq h LEU 99 CO -0.83 -0.25 -0.25 -0.62 -4.11 0.00 0.00 178.44 172.38 2hgq n GLU 100 N -5.33 -0.18 -0.32 0.17 -0.58 2.47 0.25 120.64 117.11 2hgq n GLU 100 Ca -0.04 0.90 0.18 0.00 -0.42 0.00 0.00 57.16 57.78 2hgq n GLU 100 Cb 0.25 -1.33 0.43 0.00 -0.57 0.00 0.00 31.44 30.21 2hgq n GLU 100 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2hgq h HIS 101 N 0.00 0.83 0.44 -0.32 2.76 0.37 1.17 115.15 120.41 2hgq h HIS 101 Ca 0.07 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 2hgq h HIS 101 Cb 0.17 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 2hgq h HIS 101 CO -0.68 0.14 -0.36 0.00 -1.30 0.00 0.00 177.93 175.73 2hgq h ALA 102 N 1.64 -0.82 -0.19 5.26 0.00 0.42 0.13 119.26 125.70 2hgq h ALA 102 Ca 0.57 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.36 2hgq h ALA 102 Cb 1.20 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 2hgq h ALA 102 CO -0.33 -0.99 -0.25 -0.39 0.00 0.00 0.00 179.25 177.30 2hgq h VAL 103 N -0.79 0.00 -0.58 0.00 -1.51 0.29 1.42 116.25 115.08 2hgq h VAL 103 Ca -0.04 0.00 0.12 0.00 -1.23 0.00 0.00 66.70 65.55 2hgq h VAL 103 Cb 0.68 0.00 -0.10 0.00 -2.13 0.00 0.00 31.29 29.75 2hgq h VAL 103 CO -0.01 0.00 0.00 0.11 -1.23 0.00 0.00 177.57 176.44 2hgq h LYS 104 N -0.17 0.12 0.00 5.19 1.79 -1.00 0.83 116.57 123.32 2hgq h LYS 104 Ca 0.03 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2hgq h LYS 104 Cb 0.26 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 2hgq h LYS 104 CO -0.27 0.08 0.00 0.41 -1.08 0.00 0.00 179.45 178.58 2hgq n GLY 105 N -1.35 0.00 0.02 3.86 0.00 0.48 0.37 105.19 108.56 2hgq n GLY 105 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.18 2hgq n GLY 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2hgq n MET 106 N -2.71 0.63 -1.69 1.61 2.81 0.09 -4.96 117.12 112.90 2hgq n MET 106 Ca 0.00 -0.17 -0.44 0.00 -1.81 0.00 0.00 57.70 55.28 2hgq n MET 106 Cb 0.00 -1.47 -0.04 0.00 -0.71 0.00 0.00 33.22 31.01 2hgq n MET 106 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2hgq n LEU 107 N -2.22 3.55 0.00 4.03 0.00 1.17 -4.97 117.00 118.56 2hgq n LEU 107 Ca -0.06 1.06 -0.25 0.00 0.00 0.00 0.00 56.01 56.76 2hgq n LEU 107 Cb 0.56 -1.50 -0.03 0.00 0.00 0.00 0.00 43.42 42.45 2hgq n LEU 107 CO 0.41 -0.05 -0.08 -0.81 0.00 0.00 0.00 177.39 176.86 2hgq n PRO 108 N 3.92 0.88 -1.97 1.96 -0.04 -1.26 -4.82 135.00 133.68 2hgq n PRO 108 Ca 0.17 -3.05 0.00 0.00 -0.04 0.00 0.00 63.50 60.58 2hgq n PRO 108 Cb 0.32 0.60 0.00 0.00 -0.04 0.00 0.00 33.50 34.38 2hgq n PRO 108 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2hgq n LYS 109 N -1.32 -4.82 0.00 0.54 3.00 -1.26 -1.65 118.16 112.65 2hgq n LYS 109 Ca -0.11 3.50 0.00 0.00 -0.00 0.00 0.00 58.31 61.70 2hgq n LYS 109 Cb 0.54 -3.88 0.00 0.00 0.00 0.00 0.00 35.03 31.69 2hgq n LYS 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hgq n GLY 110 N 1.66 -1.02 0.28 3.14 0.00 -1.26 -0.69 105.19 107.29 2hgq n GLY 110 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2hgq n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hgq h PRO 111 N 0.00 0.02 0.00 1.61 0.13 -1.98 -0.81 132.00 130.97 2hgq h PRO 111 Ca 0.00 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2hgq h PRO 111 Cb 0.00 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2hgq h PRO 111 CO 0.00 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 179.06 2hgq n LEU 112 N -5.46 1.00 -0.18 1.56 4.77 -1.24 -0.97 117.00 116.48 2hgq n LEU 112 Ca 0.11 0.27 0.07 0.00 -0.03 0.00 0.00 56.01 56.43 2hgq n LEU 112 Cb 0.40 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.63 2hgq n LEU 112 CO 0.01 0.00 0.40 0.61 -1.33 0.00 0.00 177.39 177.07 2hgq n GLY 113 N 0.70 -0.75 0.00 -0.72 0.00 0.13 0.21 105.19 104.76 2hgq n GLY 113 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2hgq n GLY 113 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hgq n ARG 114 N -4.68 0.00 -0.33 1.61 3.00 -0.31 0.20 116.66 116.16 2hgq n ARG 114 Ca 0.11 0.46 0.31 0.00 -0.00 0.00 0.00 57.85 58.74 2hgq n ARG 114 Cb 0.36 -0.92 0.56 0.00 0.00 0.00 0.00 32.46 32.46 2hgq n ARG 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2hgq n ARG 115 N -0.99 -0.05 -0.08 -0.14 1.74 0.55 0.25 116.66 117.94 2hgq n ARG 115 Ca 0.00 1.22 -0.11 0.00 -0.77 0.00 0.00 57.85 58.19 2hgq n ARG 115 Cb 0.00 -2.24 -0.04 0.00 -1.02 0.00 0.00 32.46 29.16 2hgq n ARG 115 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2hgq h LEU 116 N 0.00 0.36 -1.15 0.55 6.46 0.43 0.21 115.31 122.17 2hgq h LEU 116 Ca 0.78 -0.21 0.18 0.00 -0.12 0.00 0.00 57.88 58.51 2hgq h LEU 116 Cb 2.20 -0.10 -0.09 0.00 -0.73 0.00 0.00 40.66 41.94 2hgq h LEU 116 CO -0.62 0.48 0.61 -0.26 -0.62 0.00 0.00 178.44 178.03 2hgq h PHE 117 N 0.23 0.94 -0.35 1.25 0.05 0.18 1.19 116.94 120.44 2hgq h PHE 117 Ca 0.08 0.03 0.08 0.00 3.82 0.00 0.00 57.97 61.97 2hgq h PHE 117 Cb 0.25 -0.29 -0.08 0.00 2.00 0.00 0.00 35.95 37.83 2hgq h PHE 117 CO 0.01 0.26 -0.21 0.87 -0.18 0.00 0.00 178.31 179.05 2hgq h LYS 118 N 0.71 -0.16 -0.95 1.51 1.57 0.52 1.31 116.57 121.09 2hgq h LYS 118 Ca 0.53 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.26 2hgq h LYS 118 Cb 0.89 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.19 2hgq h LYS 118 CO -0.30 -0.10 0.09 2.89 -0.57 0.00 0.00 179.45 181.45 2hgq n ARG 119 N -5.37 1.62 -3.84 3.15 1.85 0.35 -4.58 116.66 109.84 2hgq n ARG 119 Ca 0.01 -0.76 -0.30 0.00 -1.00 0.00 0.00 57.85 55.81 2hgq n ARG 119 Cb 0.29 -1.48 -0.15 0.00 -1.05 0.00 0.00 32.46 30.06 2hgq n ARG 119 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2hgq s LEU 120 N -0.75 2.56 0.03 2.89 2.96 0.45 -1.11 118.68 125.71 2hgq s LEU 120 Ca 0.14 -1.47 0.01 0.00 -0.22 0.00 0.00 54.13 52.59 2hgq s LEU 120 Cb 0.11 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.75 2hgq s LEU 120 CO 0.03 -0.34 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.13 2hgq s LYS 121 N 1.48 0.41 0.34 1.98 1.02 -0.18 -4.76 119.74 120.03 2hgq s LYS 121 Ca 0.04 -0.58 -0.15 0.00 0.02 0.00 0.00 55.97 55.30 2hgq s LYS 121 Cb -0.18 -0.16 0.03 0.00 -0.52 0.00 0.00 37.83 37.01 2hgq s LYS 121 CO -0.15 0.02 0.70 0.14 -0.92 0.00 0.00 175.35 175.15 2hgq s VAL 122 N -1.15 0.00 -0.22 3.17 -7.23 -1.26 -1.32 120.40 112.39 2hgq s VAL 122 Ca -0.10 -1.12 -0.11 0.00 -1.81 0.00 0.00 61.98 58.84 2hgq s VAL 122 Cb -0.08 -2.59 0.08 0.00 0.56 0.00 0.00 36.38 34.34 2hgq s VAL 122 CO -0.00 0.00 0.51 -0.31 -0.31 0.00 0.00 175.10 174.99 2hgq s TYR 123 N -2.92 -0.84 -2.00 2.82 2.02 -0.00 -4.87 117.35 111.56 2hgq s TYR 123 Ca 0.17 1.67 0.18 0.00 -0.37 0.00 0.00 57.07 58.72 2hgq s TYR 123 Cb -0.04 0.43 1.06 0.00 -0.40 0.00 0.00 41.96 43.01 2hgq s TYR 123 CO 0.11 -0.45 1.50 0.00 -1.57 0.00 0.00 175.55 175.15 2hgq n ALA 124 N 4.58 2.30 -0.46 3.71 0.00 -1.26 -2.66 120.51 126.71 2hgq n ALA 124 Ca -0.19 -0.11 -0.29 0.00 0.00 0.00 0.00 53.44 52.85 2hgq n ALA 124 Cb 0.55 -1.29 0.25 0.00 0.00 0.00 0.00 19.45 18.95 2hgq n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgq n GLY 125 N 0.35 -2.58 0.20 0.00 0.00 -1.26 -3.99 105.19 97.92 2hgq n GLY 125 Ca 0.13 -1.19 0.10 0.00 0.00 0.00 0.00 46.02 45.06 2hgq n GLY 125 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hgq h PRO 126 N -2.79 0.00 0.00 1.61 0.13 -1.96 -1.06 132.00 127.93 2hgq h PRO 126 Ca -0.55 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2hgq h PRO 126 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2hgq h PRO 126 CO 0.41 0.18 0.00 -0.40 -0.23 0.00 0.00 178.00 177.96 2hgq n ASP 127 N -3.17 0.00 -0.32 1.44 5.68 -1.26 -3.63 116.55 115.28 2hgq n ASP 127 Ca 0.02 0.00 0.23 0.00 -0.50 0.00 0.00 54.79 54.55 2hgq n ASP 127 Cb 0.55 0.00 0.44 0.00 -1.14 0.00 0.00 41.12 40.97 2hgq n ASP 127 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2hgq n HIS 128 N 0.00 0.89 -0.19 2.11 8.25 -1.26 0.29 115.22 125.31 2hgq n HIS 128 Ca 0.00 1.14 0.00 0.00 -0.26 0.00 0.00 57.72 58.61 2hgq n HIS 128 Cb 0.00 -1.40 0.10 0.00 1.12 0.00 0.00 29.99 29.81 2hgq n HIS 128 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2hgq h PRO 129 N 0.00 0.19 -0.82 -0.41 0.13 -1.91 1.49 132.00 130.66 2hgq h PRO 129 Ca 0.71 -0.01 0.09 0.00 -0.87 0.00 0.00 66.00 65.92 2hgq h PRO 129 Cb 1.73 -0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.75 2hgq h PRO 129 CO -0.81 0.12 0.47 0.45 -0.23 0.00 0.00 178.00 178.00 2hgq h HIS 130 N 0.19 0.85 -0.38 1.56 3.86 0.39 0.19 115.15 121.81 2hgq h HIS 130 Ca 0.30 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.62 2hgq h HIS 130 Cb 0.47 -0.26 -0.09 0.00 1.06 0.00 0.00 27.41 28.59 2hgq h HIS 130 CO -0.29 0.35 -0.29 0.37 0.86 0.00 0.00 177.93 178.93 2hgq h GLN 131 N 0.79 -0.22 -1.00 2.45 4.15 0.36 0.18 115.11 121.81 2hgq h GLN 131 Ca 0.39 0.02 0.25 0.00 0.77 0.00 0.00 58.65 60.08 2hgq h GLN 131 Cb 0.36 0.05 -0.13 0.00 0.21 0.00 0.00 27.48 27.97 2hgq h GLN 131 CO -0.25 -0.15 0.58 0.00 -1.93 0.00 0.00 178.83 177.09 2hgq h ALA 132 N 0.84 1.78 -0.80 3.38 0.00 0.14 -1.54 119.26 123.06 2hgq h ALA 132 Ca 0.17 0.13 -0.52 0.00 0.00 0.00 0.00 54.91 54.70 2hgq h ALA 132 Cb 0.51 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 2hgq h ALA 132 CO -0.51 -0.29 1.54 -0.65 0.00 0.00 0.00 179.25 179.34 2hgq s GLN 133 N -5.77 3.31 0.15 0.00 -1.52 0.62 -4.80 119.66 111.65 2hgq s GLN 133 Ca -0.11 -1.33 -0.21 0.00 -1.95 0.00 0.00 55.36 51.76 2hgq s GLN 133 Cb 0.27 -5.35 0.05 0.00 -0.22 0.00 0.00 33.01 27.76 2hgq s GLN 133 CO 0.80 -2.85 1.64 0.00 -0.25 0.00 0.00 175.29 174.63 2hgq h ARG 134 N 9.18 -0.17 -1.63 2.91 -0.00 -1.42 -3.46 114.38 119.78 2hgq h ARG 134 Ca 0.28 0.01 -0.06 0.00 -0.50 0.00 0.00 59.98 59.71 2hgq h ARG 134 Cb 0.94 0.04 0.03 0.00 0.00 0.00 0.00 29.97 30.98 2hgq h ARG 134 CO 1.36 -0.11 -0.34 -2.30 0.00 0.00 0.00 179.97 178.57 2hgq n PRO 135 N -5.36 0.00 -0.98 0.04 -0.02 -1.26 -4.85 135.00 122.57 2hgq n PRO 135 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.10 2hgq n PRO 135 Cb 0.27 -0.30 0.04 0.00 -0.02 0.00 0.00 33.50 33.49 2hgq n PRO 135 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2hgq n GLU 136 N 0.67 -0.10 -3.00 -0.52 -0.00 -1.26 -4.97 120.64 111.45 2hgq n GLU 136 Ca -0.00 -0.03 -0.14 0.00 -0.00 0.00 0.00 57.16 56.99 2hgq n GLU 136 Cb 0.10 -1.04 0.01 0.00 -0.00 0.00 0.00 31.44 30.50 2hgq n GLU 136 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2hgq n LYS 137 N 2.21 1.01 -0.80 3.44 5.02 -1.26 -4.88 118.16 122.89 2hgq n LYS 137 Ca -0.02 -2.90 -0.35 0.00 -2.02 0.00 0.00 58.31 53.03 2hgq n LYS 137 Cb 0.74 -1.42 0.12 0.00 -0.02 0.00 0.00 35.03 34.45 2hgq n LYS 137 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2hgq n LEU 138 N 0.25 -2.61 -3.55 -0.35 4.77 -1.24 -4.53 117.00 109.74 2hgq n LEU 138 Ca 0.17 -0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 2hgq n LEU 138 Cb 0.69 -0.79 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 2hgq n LEU 138 CO 0.15 -2.93 0.64 -0.70 -1.33 0.00 0.00 177.39 173.22 2hgq s GLU 139 N -2.90 0.79 0.00 3.23 -6.30 -1.26 -0.35 118.70 111.91 2hgq s GLU 139 Ca 0.48 0.15 0.00 0.00 -2.50 0.00 0.00 54.97 53.11 2hgq s GLU 139 Cb -0.04 0.37 0.00 0.00 0.00 0.00 0.00 34.13 34.46 2hgq s GLU 139 CO 0.66 -0.25 0.00 0.28 0.02 0.00 0.00 175.26 175.97