#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgq n ARG 7 N 0.00 0.00 0.00 1.96 3.00 -1.26 -5.04 116.66 115.32 2hgq n ARG 7 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2hgq n ARG 7 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2hgq n ARG 7 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2hgq n PRO 8 N -2.50 0.00 -0.41 5.56 -0.02 -1.26 -4.90 135.00 131.46 2hgq n PRO 8 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 2hgq n PRO 8 Cb 0.00 -0.57 -0.00 0.00 -0.02 0.00 0.00 33.50 32.90 2hgq n PRO 8 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2hgq n ASN 9 N 0.48 -0.86 -4.55 2.55 0.23 -1.26 -4.44 115.26 107.41 2hgq n ASN 9 Ca 0.00 0.26 -0.56 0.00 -0.53 0.00 0.00 54.58 53.75 2hgq n ASN 9 Cb 0.00 -0.28 -0.07 0.00 -2.08 0.00 0.00 39.78 37.35 2hgq n ASN 9 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 2hgq n PRO 10 N 0.41 0.50 0.00 -0.53 -0.04 -1.26 -4.88 135.00 129.21 2hgq n PRO 10 Ca 0.04 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 2hgq n PRO 10 Cb 0.12 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 2hgq n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hgq n GLY 11 N 2.09 -0.90 0.00 0.55 0.00 -1.26 -4.73 105.19 100.94 2hgq n GLY 11 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2hgq n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgq n ALA 12 N -3.00 0.00 -0.00 4.61 0.00 -1.26 -4.87 120.51 115.99 2hgq n ALA 12 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgq n ALA 12 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgq n ALA 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2hgq n ASN 13 N 0.00 4.16 0.00 0.00 2.04 -1.26 -4.98 115.26 115.22 2hgq n ASN 13 Ca 0.00 -0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 2hgq n ASN 13 Cb 0.00 0.11 0.00 0.00 -2.53 0.00 0.00 39.78 37.36 2hgq n ASN 13 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 2hgq n LYS 14 N -2.40 0.00 -1.05 -3.83 5.02 -1.26 -4.59 118.16 110.04 2hgq n LYS 14 Ca -0.01 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.95 2hgq n LYS 14 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 2hgq n LYS 14 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2hgq n ARG 15 N 0.00 0.00 0.00 1.97 3.00 -1.26 -4.39 116.66 115.98 2hgq n ARG 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2hgq n ARG 15 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 32.46 31.64 2hgq n ARG 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2hgq n ARG 16 N 1.16 0.00 -0.09 -0.14 0.00 -1.26 -4.86 116.66 111.47 2hgq n ARG 16 Ca 0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.81 2hgq n ARG 16 Cb 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.73 2hgq n ARG 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2hgq n LYS 17 N 0.00 0.48 -1.21 -0.14 3.00 -1.26 -4.86 118.16 114.17 2hgq n LYS 17 Ca 0.00 0.10 0.04 0.00 -0.00 0.00 0.00 58.31 58.45 2hgq n LYS 17 Cb 0.00 -1.36 0.04 0.00 0.00 0.00 0.00 35.03 33.71 2hgq n LYS 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2hgq n ARG 18 N -3.01 0.20 -0.70 1.64 5.12 -1.26 -4.88 116.66 113.77 2hgq n ARG 18 Ca -0.31 -1.99 -0.09 0.00 -1.93 0.00 0.00 57.85 53.53 2hgq n ARG 18 Cb 0.84 -0.29 -0.11 0.00 -1.16 0.00 0.00 32.46 31.74 2hgq n ARG 18 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2hgq n VAL 19 N 0.20 2.10 -1.62 1.55 0.24 -1.26 -4.84 118.33 114.70 2hgq n VAL 19 Ca 0.07 -1.06 -0.44 0.00 -2.04 0.00 0.00 64.34 60.87 2hgq n VAL 19 Cb 1.02 -1.86 -0.04 0.00 -1.47 0.00 0.00 33.84 31.49 2hgq n VAL 19 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2hgq n GLY 20 N 2.69 1.31 3.77 7.63 0.00 -1.26 -4.96 105.19 114.38 2hgq n GLY 20 Ca 0.31 0.82 -0.38 0.00 0.00 0.00 0.00 46.02 46.76 2hgq n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hgq s ARG 21 N 5.48 4.65 4.30 1.61 0.52 -1.26 -4.94 118.95 129.30 2hgq s ARG 21 Ca 0.97 1.33 0.00 0.00 -0.52 0.00 0.00 55.73 57.51 2hgq s ARG 21 Cb -0.45 -2.99 0.00 0.00 0.52 0.00 0.00 34.95 32.03 2hgq s ARG 21 CO 0.40 0.39 0.00 0.41 0.02 0.00 0.00 175.30 176.52 2hgq n GLY 22 N 0.94 1.84 0.00 -3.53 0.00 -1.26 -4.59 105.19 98.59 2hgq n GLY 22 Ca -0.00 -0.48 0.01 0.00 0.00 0.00 0.00 46.02 45.55 2hgq n GLY 22 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hgq n PRO 23 N 6.48 0.47 0.00 1.61 -0.02 -1.26 -4.84 135.00 137.43 2hgq n PRO 23 Ca 0.00 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2hgq n PRO 23 Cb 0.00 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 2hgq n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hgq n GLY 24 N 2.37 1.09 0.00 -1.23 0.00 -1.24 -4.68 105.19 101.50 2hgq n GLY 24 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2hgq n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hgq n SER 25 N 0.00 0.00 0.00 1.61 3.41 -1.26 -3.20 113.62 114.18 2hgq n SER 25 Ca 0.00 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 2hgq n SER 25 Cb 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 2hgq n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hgq n GLY 26 N -0.90 -2.50 0.00 5.00 0.00 -1.26 -4.91 105.19 100.62 2hgq n GLY 26 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2hgq n GLY 26 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2hgq n HIS 27 N -0.13 0.00 0.00 1.61 -0.00 -1.19 -5.09 115.22 110.41 2hgq n HIS 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2hgq n HIS 27 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2hgq n HIS 27 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2hgq n GLY 28 N 0.19 4.60 0.00 -1.41 0.00 -1.26 -3.69 105.19 103.62 2hgq n GLY 28 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2hgq n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2hgq n LYS 29 N -1.71 0.00 0.00 1.61 -0.00 -1.26 -4.91 118.16 111.89 2hgq n LYS 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2hgq n LYS 29 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2hgq n LYS 29 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2hgq n THR 30 N 0.00 0.00 0.00 0.58 -2.24 -1.26 -4.93 114.28 106.43 2hgq n THR 30 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2hgq n THR 30 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2hgq n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hgq n ALA 31 N 0.00 0.00 -1.00 6.98 0.00 -1.26 -5.11 120.51 120.12 2hgq n ALA 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgq n ALA 31 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgq n ALA 31 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2hgq n THR 32 N 0.00 0.00 -4.46 0.00 -2.24 -1.26 -5.12 114.28 101.19 2hgq n THR 32 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 2hgq n THR 32 Cb 0.00 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 2hgq n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hgq s ARG 33 N 0.00 1.65 0.06 -0.78 1.70 -1.26 -5.03 118.95 115.29 2hgq s ARG 33 Ca 0.00 -1.88 0.04 0.00 -0.47 0.00 0.00 55.73 53.42 2hgq s ARG 33 Cb 0.00 -1.10 0.22 0.00 -0.57 0.00 0.00 34.95 33.50 2hgq s ARG 33 CO 0.00 -0.07 0.24 0.41 -1.08 0.00 0.00 175.30 174.80 2hgq n GLY 34 N -0.68 -0.12 0.23 3.88 0.00 -1.26 -1.38 105.19 105.85 2hgq n GLY 34 Ca -0.04 0.12 0.05 0.00 0.00 0.00 0.00 46.02 46.15 2hgq n GLY 34 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2hgq h HIS 35 N 0.00 0.00 -2.11 1.61 2.07 -2.02 -0.29 115.15 114.42 2hgq h HIS 35 Ca 0.13 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.12 2hgq h HIS 35 Cb 0.39 0.00 -0.41 0.00 2.57 0.00 0.00 27.41 29.96 2hgq h HIS 35 CO -0.00 0.00 -0.91 1.63 -3.07 0.00 0.00 177.93 175.58 2hgq n LYS 36 N -2.18 2.17 0.00 5.12 4.76 -0.48 -4.92 118.16 122.63 2hgq n LYS 36 Ca -0.01 -4.15 0.00 0.00 -2.87 0.00 0.00 58.31 51.29 2hgq n LYS 36 Cb 0.61 -1.98 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 2hgq n LYS 36 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2hgq n GLY 37 N -0.01 -2.19 0.00 0.72 0.00 -0.12 -4.87 105.19 98.72 2hgq n GLY 37 Ca 0.28 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2hgq n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2hgq n GLN 38 N 0.00 0.00 0.00 1.61 7.27 -1.26 -3.85 117.38 121.15 2hgq n GLN 38 Ca 0.00 0.11 0.00 0.00 0.07 0.00 0.00 57.00 57.18 2hgq n GLN 38 Cb 0.00 -0.51 0.00 0.00 2.41 0.00 0.00 30.24 32.14 2hgq n GLN 38 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2hgq n LYS 39 N -1.26 0.15 -0.86 3.69 5.02 -1.26 -3.78 118.16 119.86 2hgq n LYS 39 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2hgq n LYS 39 Cb 0.00 -1.40 0.20 0.00 -0.02 0.00 0.00 35.03 33.82 2hgq n LYS 39 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2hgq n SER 40 N 0.89 3.99 -3.68 4.39 2.88 -1.25 -4.74 113.62 116.10 2hgq n SER 40 Ca 0.00 -3.06 -0.43 0.00 -1.33 0.00 0.00 58.87 54.05 2hgq n SER 40 Cb 0.07 -0.72 -0.04 0.00 -0.75 0.00 0.00 64.21 62.78 2hgq n SER 40 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2hgq n ARG 41 N -0.32 2.00 0.00 -1.46 5.12 -1.25 -4.66 116.66 116.09 2hgq n ARG 41 Ca 0.37 -2.14 0.00 0.00 -1.93 0.00 0.00 57.85 54.16 2hgq n ARG 41 Cb 1.26 -3.07 0.00 0.00 -1.16 0.00 0.00 32.46 29.49 2hgq n ARG 41 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2hgq n SER 42 N 7.09 0.00 -4.52 0.55 7.64 -1.26 -4.61 113.62 118.51 2hgq n SER 42 Ca 0.50 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 60.24 2hgq n SER 42 Cb 0.40 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.50 2hgq n SER 42 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hgq n GLY 43 N 0.00 -0.26 0.00 0.23 0.00 -1.26 -4.84 105.19 99.06 2hgq n GLY 43 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2hgq n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgq n GLY 44 N 6.34 -0.09 0.29 -0.02 0.00 -1.26 -4.67 105.19 105.77 2hgq n GLY 44 Ca 0.47 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.38 2hgq n GLY 44 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2hgq h LEU 45 N 0.00 -1.05 -6.94 0.99 6.46 -1.99 -3.44 115.31 109.34 2hgq h LEU 45 Ca 0.00 0.12 0.08 0.00 -0.12 0.00 0.00 57.88 57.96 2hgq h LEU 45 Cb 0.00 0.41 -0.21 0.00 -0.73 0.00 0.00 40.66 40.12 2hgq h LEU 45 CO 0.00 -0.30 -0.01 -1.59 -0.62 0.00 0.00 178.44 175.91 2hgq s LYS 46 N -4.66 0.56 0.00 1.25 0.00 -1.26 -5.05 119.74 110.58 2hgq s LYS 46 Ca -0.10 1.26 0.00 0.00 0.00 0.00 0.00 55.97 57.13 2hgq s LYS 46 Cb 0.04 0.58 0.00 0.00 0.00 0.00 0.00 37.83 38.45 2hgq s LYS 46 CO 0.37 -0.17 0.00 -3.47 0.00 0.00 0.00 175.35 172.09 2hgq n ASP 47 N 4.98 0.00 -0.41 0.03 -0.08 -1.26 -3.32 116.55 116.49 2hgq n ASP 47 Ca -0.14 0.00 0.37 0.00 -1.51 0.00 0.00 54.79 53.51 2hgq n ASP 47 Cb 0.53 0.00 0.57 0.00 2.34 0.00 0.00 41.12 44.56 2hgq n ASP 47 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2hgq n PRO 48 N 0.00 0.01 -0.34 -0.67 -0.02 -1.26 0.88 135.00 133.59 2hgq n PRO 48 Ca 0.00 1.00 -0.01 0.00 -2.02 0.00 0.00 63.50 62.47 2hgq n PRO 48 Cb 0.00 -2.40 0.13 0.00 -0.02 0.00 0.00 33.50 31.21 2hgq n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hgq h ARG 49 N 0.00 1.13 -0.66 -0.52 -0.00 -1.98 -0.69 114.38 111.67 2hgq h ARG 49 Ca 0.66 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.98 60.05 2hgq h ARG 49 Cb 3.15 -0.25 -0.03 0.00 0.00 0.00 0.00 29.97 32.84 2hgq h ARG 49 CO -0.01 0.75 0.34 -0.09 0.00 0.00 0.00 179.97 180.96 2hgq h ARG 50 N 1.16 0.93 -0.16 0.04 9.65 0.49 0.37 114.38 126.87 2hgq h ARG 50 Ca 0.37 -0.12 0.04 0.00 -1.10 0.00 0.00 59.98 59.16 2hgq h ARG 50 Cb 0.01 -0.17 -0.07 0.00 -1.39 0.00 0.00 29.97 28.35 2hgq h ARG 50 CO -0.12 0.72 -0.51 0.74 2.80 0.00 0.00 179.97 183.60 2hgq h PHE 51 N 0.90 -1.52 -0.23 2.20 -1.00 -1.20 0.64 116.94 116.73 2hgq h PHE 51 Ca 0.23 0.06 0.03 0.00 2.81 0.00 0.00 57.97 61.09 2hgq h PHE 51 Cb 0.08 0.69 -0.04 0.00 3.61 0.00 0.00 35.95 40.29 2hgq h PHE 51 CO -0.00 -0.53 -0.27 0.93 -1.61 0.00 0.00 178.31 176.84 2hgq h GLU 52 N -0.54 -0.16 -0.28 1.51 4.39 -0.14 0.28 114.58 119.64 2hgq h GLU 52 Ca 0.05 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.80 2hgq h GLU 52 Cb 0.66 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.31 2hgq h GLU 52 CO -0.45 -0.10 -0.12 0.41 -1.16 0.00 0.00 179.01 177.59 2hgq n GLY 53 N -1.17 -0.59 0.18 -3.84 0.00 0.09 0.36 105.19 100.21 2hgq n GLY 53 Ca -0.01 0.31 -0.18 0.00 0.00 0.00 0.00 46.02 46.14 2hgq n GLY 53 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2hgq h GLY 54 N 0.00 0.69 -4.57 -0.02 0.00 -0.40 -3.43 103.07 95.34 2hgq h GLY 54 Ca 0.09 -1.12 0.00 0.00 0.00 0.00 0.00 47.33 46.30 2hgq h GLY 54 CO -0.28 0.99 0.08 0.54 0.00 0.00 0.00 176.54 177.88 2hgq n ARG 55 N -4.02 0.00 0.00 4.80 1.74 1.11 -4.52 116.66 115.77 2hgq n ARG 55 Ca -0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 2hgq n ARG 55 Cb 0.76 -0.65 0.00 0.00 -1.02 0.00 0.00 32.46 31.55 2hgq n ARG 55 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2hgq n SER 56 N 1.79 0.00 0.00 0.55 2.88 -1.26 -4.95 113.62 112.63 2hgq n SER 56 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2hgq n SER 56 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 2hgq n SER 56 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2hgq n THR 57 N -0.04 0.00 0.00 2.46 -1.04 -1.26 -5.06 114.28 109.34 2hgq n THR 57 Ca 0.00 0.62 0.00 0.00 -2.04 0.00 0.00 64.05 62.63 2hgq n THR 57 Cb 0.00 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.25 2hgq n THR 57 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2hgq n THR 58 N -0.20 0.00 -0.89 12.58 -1.04 -1.26 -5.04 114.28 118.43 2hgq n THR 58 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2hgq n THR 58 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2hgq n THR 58 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hgq n LEU 59 N 0.00 0.16 -4.16 -4.42 -0.00 -1.26 -5.02 117.00 102.29 2hgq n LEU 59 Ca 0.00 -0.16 -0.37 0.00 -0.00 0.00 0.00 56.01 55.48 2hgq n LEU 59 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 2hgq n LEU 59 CO 0.00 0.04 -0.16 0.00 -0.00 0.00 0.00 177.39 177.27 2hgq s MET 60 N -0.05 2.19 -0.18 1.47 0.23 -1.26 -5.07 119.30 116.63 2hgq s MET 60 Ca 0.00 -1.71 0.00 0.00 -1.03 0.00 0.00 55.69 52.95 2hgq s MET 60 Cb 0.00 -3.62 0.01 0.00 -1.53 0.00 0.00 34.83 29.69 2hgq s MET 60 CO 0.00 -1.03 -0.17 1.03 -2.03 0.00 0.00 175.02 172.82 2hgq s ARG 61 N 1.22 3.08 -0.88 3.16 0.52 -1.26 -5.04 118.95 119.75 2hgq s ARG 61 Ca 0.06 -0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 54.47 2hgq s ARG 61 Cb -0.23 -2.64 0.24 0.00 0.52 0.00 0.00 34.95 32.84 2hgq s ARG 61 CO -0.03 -0.17 0.87 1.28 0.02 0.00 0.00 175.30 177.27 2hgq n LEU 62 N 4.55 4.40 -4.09 2.53 4.32 -1.26 -5.09 117.00 122.36 2hgq n LEU 62 Ca -0.20 -5.19 -0.25 0.00 -0.02 0.00 0.00 56.01 50.34 2hgq n LEU 62 Cb 0.50 -1.05 0.13 0.00 -1.62 0.00 0.00 43.42 41.39 2hgq n LEU 62 CO 0.27 1.66 -0.53 -0.81 -1.22 0.00 0.00 177.39 176.76 2hgq n PRO 63 N 1.94 -1.57 -0.97 3.23 -0.04 -1.26 -4.75 135.00 131.58 2hgq n PRO 63 Ca 0.24 -0.46 -0.05 0.00 -0.04 0.00 0.00 63.50 63.19 2hgq n PRO 63 Cb 0.37 -1.45 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 2hgq n PRO 63 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2hgq n LYS 64 N -1.01 0.00 -3.28 0.54 -0.00 -1.26 -4.79 118.16 108.37 2hgq n LYS 64 Ca 0.02 -0.16 -0.04 0.00 -0.00 0.00 0.00 58.31 58.13 2hgq n LYS 64 Cb 0.49 -1.25 0.02 0.00 -0.00 0.00 0.00 35.03 34.29 2hgq n LYS 64 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2hgq n ARG 65 N 4.33 0.66 -2.69 -1.58 -4.01 -1.26 -5.09 116.66 107.01 2hgq n ARG 65 Ca 0.06 -1.39 -0.06 0.00 -1.04 0.00 0.00 57.85 55.43 2hgq n ARG 65 Cb 0.33 1.81 0.08 0.00 -3.04 0.00 0.00 32.46 31.63 2hgq n ARG 65 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2hgq n GLY 66 N -0.51 -1.14 0.00 2.89 0.00 -1.26 -5.09 105.19 100.08 2hgq n GLY 66 Ca -0.04 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2hgq n GLY 66 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2hgq n MET 67 N 1.35 0.00 -3.99 1.61 0.00 -1.26 -5.18 117.12 109.65 2hgq n MET 67 Ca 0.03 0.00 -0.21 0.00 -0.00 0.00 0.00 57.70 57.51 2hgq n MET 67 Cb 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.89 2hgq n MET 67 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2hgq s GLN 68 N 0.00 3.36 0.00 2.12 1.11 -1.26 -5.12 119.66 119.87 2hgq s GLN 68 Ca 0.00 -0.80 0.00 0.00 0.01 0.00 0.00 55.36 54.57 2hgq s GLN 68 Cb 0.00 -2.84 0.00 0.00 -1.01 0.00 0.00 33.01 29.16 2hgq s GLN 68 CO 0.00 0.43 0.00 0.41 0.01 0.00 0.00 175.29 176.14 2hgq n GLY 69 N -1.33 0.46 3.65 3.09 0.00 -1.26 -5.13 105.19 104.68 2hgq n GLY 69 Ca -0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 2hgq n GLY 69 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2hgq s GLN 70 N 0.00 0.01 -0.33 1.61 -2.07 -1.26 -5.02 119.66 112.60 2hgq s GLN 70 Ca 0.00 -0.00 0.04 0.00 -1.82 0.00 0.00 55.36 53.57 2hgq s GLN 70 Cb 0.00 0.00 0.16 0.00 -1.09 0.00 0.00 33.01 32.08 2hgq s GLN 70 CO 0.00 -0.00 1.13 0.28 -1.32 0.00 0.00 175.29 175.38 2hgq n VAL 71 N 0.04 0.00 0.00 3.63 0.31 -1.26 -5.13 118.33 115.92 2hgq n VAL 71 Ca 0.05 -0.87 0.00 0.00 -0.01 0.00 0.00 64.34 63.52 2hgq n VAL 71 Cb 0.56 0.70 0.00 0.00 -0.91 0.00 0.00 33.84 34.19 2hgq n VAL 71 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2hgq n PRO 72 N -0.55 0.00 -1.07 5.55 -0.02 -1.26 -4.91 135.00 132.74 2hgq n PRO 72 Ca -0.20 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.01 2hgq n PRO 72 Cb 0.70 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 34.13 2hgq n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hgq n GLY 73 N 0.00 3.61 3.51 -1.23 0.00 -1.26 -3.61 105.19 106.21 2hgq n GLY 73 Ca 0.00 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 2hgq n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hgq s GLU 74 N 2.23 3.31 -0.26 1.61 2.56 -0.21 -4.99 118.70 122.95 2hgq s GLU 74 Ca 0.60 -0.33 -0.28 0.00 0.00 0.00 0.00 54.97 54.95 2hgq s GLU 74 Cb 0.19 -4.06 -0.06 0.00 2.00 0.00 0.00 34.13 32.20 2hgq s GLU 74 CO -0.04 -1.45 2.25 -0.89 -0.56 0.00 0.00 175.26 174.57 2hgq n ILE 75 N 6.13 0.28 -4.30 -3.70 2.08 -1.26 -1.09 119.36 117.50 2hgq n ILE 75 Ca 0.01 -0.48 -0.28 0.00 0.56 0.00 0.00 62.75 62.55 2hgq n ILE 75 Cb 0.47 -2.51 -0.11 0.00 -0.75 0.00 0.00 39.64 36.75 2hgq n ILE 75 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2hgq s LYS 76 N 6.57 1.88 -0.20 0.38 2.20 -0.41 -4.73 119.74 125.43 2hgq s LYS 76 Ca 1.02 -1.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.42 2hgq s LYS 76 Cb -0.37 -2.13 0.04 0.00 -1.51 0.00 0.00 37.83 33.87 2hgq s LYS 76 CO 0.35 0.46 -0.12 0.50 -0.36 0.00 0.00 175.35 176.19 2hgq s ARG 77 N -2.41 2.18 0.62 4.03 3.52 -1.26 -0.75 118.95 124.88 2hgq s ARG 77 Ca 0.21 -0.91 0.33 0.00 -0.13 0.00 0.00 55.73 55.23 2hgq s ARG 77 Cb -0.10 -2.49 1.79 0.00 -1.56 0.00 0.00 34.95 32.59 2hgq s ARG 77 CO 0.12 -0.42 2.00 -1.00 -0.81 0.00 0.00 175.30 175.19 2hgq h PRO 78 N 7.94 0.00 0.09 5.12 0.13 -1.84 -0.98 132.00 142.46 2hgq h PRO 78 Ca -0.29 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2hgq h PRO 78 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2hgq h PRO 78 CO 0.49 0.00 -0.04 -0.09 -0.23 0.00 0.00 178.00 178.13 2hgq h ARG 79 N 0.00 -0.12 -0.31 0.86 9.65 -1.93 -0.17 114.38 122.36 2hgq h ARG 79 Ca 0.00 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.92 2hgq h ARG 79 Cb 0.41 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.99 2hgq h ARG 79 CO 0.00 0.40 0.12 -0.92 2.80 0.00 0.00 179.97 182.37 2hgq h TYR 80 N -0.75 0.21 0.00 2.20 3.20 -1.66 0.51 116.97 120.68 2hgq h TYR 80 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2hgq h TYR 80 Cb 0.57 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.79 2hgq h TYR 80 CO 0.11 0.10 0.00 1.04 -1.64 0.00 0.00 178.16 177.77 2hgq n GLN 81 N -5.01 0.00 0.10 1.82 6.02 -0.49 -1.57 117.38 118.26 2hgq n GLN 81 Ca -0.00 0.62 -0.03 0.00 -0.01 0.00 0.00 57.00 57.58 2hgq n GLN 81 Cb 0.10 -1.15 0.18 0.00 1.02 0.00 0.00 30.24 30.40 2hgq n GLN 81 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2hgq h GLY 82 N 0.00 0.21 0.67 1.08 0.00 -1.02 -0.36 103.07 103.64 2hgq h GLY 82 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.16 2hgq h GLY 82 CO 0.00 0.21 0.29 -0.39 0.00 0.00 0.00 176.54 176.65 2hgq h VAL 83 N 0.15 0.94 0.00 4.60 -1.51 -0.78 -3.43 116.25 116.22 2hgq h VAL 83 Ca 0.00 -0.19 -0.06 0.00 -1.23 0.00 0.00 66.70 65.22 2hgq h VAL 83 Cb 0.98 0.34 -0.06 0.00 -2.13 0.00 0.00 31.29 30.42 2hgq h VAL 83 CO 0.08 0.10 0.07 0.59 -1.23 0.00 0.00 177.57 177.18 2hgq n ASN 84 N -4.87 -0.72 -2.71 4.19 5.03 -0.60 -5.07 115.26 110.51 2hgq n ASN 84 Ca 0.06 -1.45 -0.07 0.00 0.87 0.00 0.00 54.58 53.99 2hgq n ASN 84 Cb 0.16 0.58 0.10 0.00 -1.02 0.00 0.00 39.78 39.60 2hgq n ASN 84 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2hgq n LEU 85 N -0.40 -2.03 0.00 3.41 4.32 -0.16 -5.01 117.00 117.13 2hgq n LEU 85 Ca -0.15 -3.19 0.00 0.00 -0.02 0.00 0.00 56.01 52.64 2hgq n LEU 85 Cb 0.61 0.95 0.00 0.00 -1.62 0.00 0.00 43.42 43.36 2hgq n LEU 85 CO -0.07 1.94 0.00 0.29 -1.22 0.00 0.00 177.39 178.33 2hgq n LYS 86 N 0.39 0.00 -2.36 3.23 4.76 -1.15 -4.65 118.16 118.37 2hgq n LYS 86 Ca 0.03 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.44 2hgq n LYS 86 Cb 0.72 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.89 2hgq n LYS 86 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2hgq n ASP 87 N 0.00 -0.83 0.00 4.39 2.03 -1.26 -5.08 116.55 115.80 2hgq n ASP 87 Ca 0.00 -1.47 0.00 0.00 0.52 0.00 0.00 54.79 53.84 2hgq n ASP 87 Cb 0.00 0.74 0.00 0.00 -0.72 0.00 0.00 41.12 41.14 2hgq n ASP 87 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2hgq n LEU 88 N -0.41 0.00 0.00 -2.67 7.94 -1.26 -2.75 117.00 117.85 2hgq n LEU 88 Ca -0.21 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.69 2hgq n LEU 88 Cb 0.61 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.56 2hgq n LEU 88 CO -0.09 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.19 2hgq n ALA 89 N 0.00 0.00 -3.63 1.96 0.00 -1.26 -4.88 120.51 112.69 2hgq n ALA 89 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2hgq n ALA 89 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 2hgq n ALA 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2hgq s ARG 90 N -1.17 0.01 0.00 0.00 3.52 -1.11 -2.71 118.95 117.49 2hgq s ARG 90 Ca 0.00 0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.78 2hgq s ARG 90 Cb 0.00 -1.13 0.00 0.00 -1.56 0.00 0.00 34.95 32.26 2hgq s ARG 90 CO 0.00 -0.50 0.00 0.34 -0.81 0.00 0.00 175.30 174.33 2hgq n PHE 91 N 5.29 0.00 -1.61 5.12 7.35 -1.26 -4.79 117.46 127.56 2hgq n PHE 91 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 2hgq n PHE 91 Cb 0.50 0.31 0.00 0.00 0.35 0.00 0.00 39.48 40.64 2hgq n PHE 91 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2hgq n GLU 92 N -2.61 -4.17 -0.33 -4.13 -0.58 -1.26 -1.33 120.64 106.23 2hgq n GLU 92 Ca 0.00 3.22 0.01 0.00 -0.42 0.00 0.00 57.16 59.96 2hgq n GLU 92 Cb 0.17 -3.98 0.07 0.00 -0.57 0.00 0.00 31.44 27.13 2hgq n GLU 92 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2hgq h GLY 93 N 0.42 0.28 -0.60 0.62 0.00 -1.96 0.67 103.07 102.49 2hgq h GLY 93 Ca 0.00 0.42 0.14 0.00 0.00 0.00 0.00 47.33 47.88 2hgq h GLY 93 CO 0.00 -0.26 -0.29 -2.09 0.00 0.00 0.00 176.54 173.90 2hgq h GLU 94 N -0.03 -0.06 0.00 4.80 4.22 -2.00 0.21 114.58 121.72 2hgq h GLU 94 Ca 0.36 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.81 2hgq h GLU 94 Cb 0.62 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2hgq h GLU 94 CO -0.92 -0.04 0.00 0.28 -2.18 0.00 0.00 179.01 176.15 2hgq n VAL 95 N -5.48 0.62 0.48 0.32 0.31 0.22 -3.96 118.33 110.85 2hgq n VAL 95 Ca 0.08 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 2hgq n VAL 95 Cb 0.39 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 2hgq n VAL 95 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2hgq n THR 96 N -1.96 0.00 0.04 2.52 -2.24 0.75 -4.45 114.28 108.94 2hgq n THR 96 Ca 0.04 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.79 2hgq n THR 96 Cb 0.30 -0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 2hgq n THR 96 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2hgq h PRO 97 N 0.49 -0.16 -1.26 -0.78 0.13 -1.77 0.11 132.00 128.76 2hgq h PRO 97 Ca 0.00 0.01 0.44 0.00 -0.87 0.00 0.00 66.00 65.58 2hgq h PRO 97 Cb 0.17 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 31.20 2hgq h PRO 97 CO 0.00 -0.11 0.79 1.49 -0.23 0.00 0.00 178.00 179.94 2hgq h GLU 98 N -0.17 0.06 -6.28 0.86 4.81 -1.96 -3.40 114.58 108.50 2hgq h GLU 98 Ca -0.01 -0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.55 2hgq h GLU 98 Cb 0.16 -0.01 0.06 0.00 0.63 0.00 0.00 28.75 29.58 2hgq h GLU 98 CO -0.03 0.04 0.38 -0.11 -0.73 0.00 0.00 179.01 178.56 2hgq n LEU 99 N -4.84 1.54 -0.55 1.64 0.00 0.38 -4.75 117.00 110.43 2hgq n LEU 99 Ca 0.38 1.13 0.00 0.00 0.00 0.00 0.00 56.01 57.52 2hgq n LEU 99 Cb 1.42 -1.19 0.00 0.00 0.00 0.00 0.00 43.42 43.65 2hgq n LEU 99 CO 0.15 -1.16 0.24 0.18 0.00 0.00 0.00 177.39 176.80 2hgq n LEU 100 N 2.33 1.06 -2.17 -1.96 4.77 -1.26 -3.22 117.00 116.54 2hgq n LEU 100 Ca 0.17 -0.53 -0.26 0.00 -0.03 0.00 0.00 56.01 55.37 2hgq n LEU 100 Cb 0.20 -0.44 0.02 0.00 -2.33 0.00 0.00 43.42 40.87 2hgq n LEU 100 CO 0.62 0.24 0.30 1.33 -1.33 0.00 0.00 177.39 178.55 2hgq n VAL 101 N 0.10 2.59 0.00 4.08 0.24 -1.26 -4.46 118.33 119.62 2hgq n VAL 101 Ca 0.00 -4.31 0.00 0.00 -2.04 0.00 0.00 64.34 57.99 2hgq n VAL 101 Cb 0.24 -1.18 0.00 0.00 -1.47 0.00 0.00 33.84 31.44 2hgq n VAL 101 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2hgq n ARG 102 N -0.66 0.00 -1.58 7.34 1.85 -1.23 -4.87 116.66 117.50 2hgq n ARG 102 Ca 0.44 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.96 2hgq n ARG 102 Cb 0.86 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 32.29 2hgq n ARG 102 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2hgq n ALA 103 N 0.00 6.33 -2.91 2.89 0.00 -1.20 -4.26 120.51 121.37 2hgq n ALA 103 Ca 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 49.97 2hgq n ALA 103 Cb 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.52 2hgq n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgq n GLY 104 N -0.17 5.00 3.07 0.00 0.00 -1.26 -4.94 105.19 106.89 2hgq n GLY 104 Ca 0.52 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 2hgq n GLY 104 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hgq s LEU 105 N 0.00 -0.86 0.00 0.99 0.20 -1.26 -4.65 118.68 113.09 2hgq s LEU 105 Ca 0.00 0.59 0.00 0.00 0.69 0.00 0.00 54.13 55.41 2hgq s LEU 105 Cb 0.00 1.50 0.00 0.00 -0.43 0.00 0.00 46.19 47.26 2hgq s LEU 105 CO 0.00 -0.27 0.00 0.18 -0.29 0.00 0.00 176.35 175.97 2hgq n LEU 106 N 5.39 0.00 0.00 -0.68 4.77 -1.26 -5.02 117.00 120.20 2hgq n LEU 106 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2hgq n LEU 106 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2hgq n LEU 106 CO 0.04 0.00 0.00 2.29 -1.33 0.00 0.00 177.39 178.39 2hgq n LYS 107 N 0.00 0.00 -0.01 3.23 2.85 -1.26 -5.08 118.16 117.89 2hgq n LYS 107 Ca 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2hgq n LYS 107 Cb 0.00 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2hgq n LYS 107 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2hgq n LYS 108 N 0.00 -0.01 -3.52 -1.58 0.00 -1.26 -2.13 118.16 109.66 2hgq n LYS 108 Ca 0.00 0.04 -0.42 0.00 -0.00 0.00 0.00 58.31 57.93 2hgq n LYS 108 Cb 0.00 -0.05 -0.08 0.00 -0.00 0.00 0.00 35.03 34.90 2hgq n LYS 108 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2hgq s GLY 109 N -2.15 2.04 0.41 2.58 0.00 -1.26 -4.48 107.32 104.46 2hgq s GLY 109 Ca -0.00 -2.53 0.00 0.00 0.00 0.00 0.00 44.72 42.19 2hgq s GLY 109 CO 0.01 1.12 0.00 2.98 0.00 0.00 0.00 173.10 177.21 2hgq n TYR 110 N 4.96 -3.98 0.00 1.90 -0.00 -0.91 -5.14 117.16 113.99 2hgq n TYR 110 Ca -0.09 1.22 0.00 0.00 -0.00 0.00 0.00 57.90 59.03 2hgq n TYR 110 Cb 0.41 2.86 0.00 0.00 -0.00 0.00 0.00 39.34 42.61 2hgq n TYR 110 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 2hgq n ARG 111 N -3.45 0.00 -3.34 2.98 0.63 -1.24 -4.59 116.66 107.65 2hgq n ARG 111 Ca 0.00 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.48 2hgq n ARG 111 Cb 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.84 2hgq n ARG 111 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2hgq s LEU 112 N 0.00 5.72 0.31 6.15 1.43 -1.26 -1.04 118.68 129.99 2hgq s LEU 112 Ca 0.00 -1.42 -0.08 0.00 -1.03 0.00 0.00 54.13 51.59 2hgq s LEU 112 Cb 0.00 -2.22 -0.06 0.00 0.03 0.00 0.00 46.19 43.94 2hgq s LEU 112 CO 0.00 -0.74 0.63 -0.75 0.23 0.00 0.00 176.35 175.72 2hgq s LYS 113 N 1.75 3.74 -1.21 1.70 2.36 -0.25 -3.65 119.74 124.18 2hgq s LYS 113 Ca 0.05 0.25 -0.20 0.00 -2.55 0.00 0.00 55.97 53.52 2hgq s LYS 113 Cb -0.25 -2.56 0.02 0.00 -1.05 0.00 0.00 37.83 33.99 2hgq s LYS 113 CO 0.06 0.16 1.76 0.42 1.55 0.00 0.00 175.35 179.30 2hgq s ILE 114 N -2.10 3.91 -0.56 5.43 1.09 0.64 -1.29 121.20 128.32 2hgq s ILE 114 Ca 0.48 -1.43 -0.12 0.00 -1.10 0.00 0.00 60.65 58.48 2hgq s ILE 114 Cb -0.11 -4.96 -0.11 0.00 -1.06 0.00 0.00 42.46 36.23 2hgq s ILE 114 CO 0.27 -1.69 1.74 0.18 -0.10 0.00 0.00 174.94 175.34 2hgq n LEU 115 N 10.30 3.11 -4.64 2.97 4.32 0.07 -3.93 117.00 129.21 2hgq n LEU 115 Ca 0.45 -2.29 -0.42 0.00 -0.02 0.00 0.00 56.01 53.73 2hgq n LEU 115 Cb 0.47 -0.89 -0.03 0.00 -1.62 0.00 0.00 43.42 41.35 2hgq n LEU 115 CO 0.72 -0.38 1.68 -0.83 -1.22 0.00 0.00 177.39 177.37 2hgq s GLY 116 N 4.62 1.11 0.00 -0.72 0.00 -1.20 -3.73 107.32 107.40 2hgq s GLY 116 Ca 0.38 1.10 0.00 0.00 0.00 0.00 0.00 44.72 46.21 2hgq s GLY 116 CO 0.06 3.58 0.00 -1.84 0.00 0.00 0.00 173.10 174.90 2hgq n GLU 117 N 7.98 0.00 -1.42 2.90 0.00 -1.25 -4.77 120.64 124.08 2hgq n GLU 117 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.98 2hgq n GLU 117 Cb 0.43 0.00 0.01 0.00 0.00 0.00 0.00 31.44 31.88 2hgq n GLU 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hgq n GLY 118 N 1.76 -1.74 7.00 -1.84 0.00 -1.26 -4.27 105.19 104.84 2hgq n GLY 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgq n GLY 118 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hgq n GLU 119 N 0.66 0.00 -0.43 1.61 -0.58 -1.26 -4.54 120.64 116.10 2hgq n GLU 119 Ca 0.11 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.60 2hgq n GLU 119 Cb 0.41 0.00 0.22 0.00 -0.57 0.00 0.00 31.44 31.49 2hgq n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2hgq n ALA 120 N 6.79 -3.02 -2.76 0.62 0.00 -1.26 -4.99 120.51 115.89 2hgq n ALA 120 Ca 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 53.44 52.00 2hgq n ALA 120 Cb 0.00 -1.33 0.08 0.00 0.00 0.00 0.00 19.45 18.19 2hgq n ALA 120 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2hgq n LYS 121 N -3.59 1.53 0.00 0.00 5.02 -1.26 -3.77 118.16 116.09 2hgq n LYS 121 Ca 0.07 -2.71 0.00 0.00 -2.02 0.00 0.00 58.31 53.65 2hgq n LYS 121 Cb 0.50 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 2hgq n LYS 121 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2hgq n PRO 122 N -0.83 1.35 -3.46 1.97 -0.04 -1.26 -2.78 135.00 129.95 2hgq n PRO 122 Ca -0.01 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.46 2hgq n PRO 122 Cb 0.83 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.25 2hgq n PRO 122 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2hgq s LEU 123 N 0.00 -0.81 -0.05 1.53 1.43 -1.26 -4.65 118.68 114.86 2hgq s LEU 123 Ca 0.00 1.04 0.15 0.00 -1.03 0.00 0.00 54.13 54.29 2hgq s LEU 123 Cb 0.00 1.90 0.52 0.00 0.03 0.00 0.00 46.19 48.64 2hgq s LEU 123 CO 0.00 -0.16 1.41 0.29 0.23 0.00 0.00 176.35 178.12 2hgq n LYS 124 N 5.19 2.77 -4.79 1.70 5.02 -1.26 -4.58 118.16 122.20 2hgq n LYS 124 Ca -0.09 -2.07 -0.30 0.00 -2.02 0.00 0.00 58.31 53.83 2hgq n LYS 124 Cb 0.51 -1.62 -0.17 0.00 -0.02 0.00 0.00 35.03 33.73 2hgq n LYS 124 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2hgq s VAL 125 N -1.59 1.71 1.04 -0.18 1.01 -1.10 -2.07 120.40 119.21 2hgq s VAL 125 Ca 0.38 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 2hgq s VAL 125 Cb 0.23 -1.52 0.05 0.00 0.00 0.00 0.00 36.38 35.13 2hgq s VAL 125 CO 0.21 0.48 0.04 0.55 0.00 0.00 0.00 175.10 176.38 2hgq n VAL 126 N 3.86 0.00 0.00 2.92 3.14 -0.69 -4.66 118.33 122.90 2hgq n VAL 126 Ca -0.20 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 60.93 2hgq n VAL 126 Cb 0.52 -0.54 0.00 0.00 -1.06 0.00 0.00 33.84 32.76 2hgq n VAL 126 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2hgq n ALA 127 N -3.93 0.00 -0.28 1.55 0.00 0.02 -4.47 120.51 113.40 2hgq n ALA 127 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2hgq n ALA 127 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2hgq n ALA 127 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2hgq n HIS 128 N 0.00 -1.77 -2.48 0.00 1.44 -1.26 -4.46 115.22 106.69 2hgq n HIS 128 Ca 0.00 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.31 2hgq n HIS 128 Cb 0.00 0.35 -0.02 0.00 0.12 0.00 0.00 29.99 30.45 2hgq n HIS 128 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2hgq s ALA 129 N -1.00 2.89 -0.22 1.59 0.00 -1.24 -4.95 121.76 118.83 2hgq s ALA 129 Ca 0.00 -2.59 0.02 0.00 0.00 0.00 0.00 51.96 49.38 2hgq s ALA 129 Cb 0.00 -4.62 0.04 0.00 0.00 0.00 0.00 23.12 18.54 2hgq s ALA 129 CO 0.00 -3.71 -0.13 -0.06 0.00 0.00 0.00 175.76 171.86 2hgq s PHE 130 N 5.60 2.85 1.01 0.00 2.99 -1.26 0.23 117.98 129.41 2hgq s PHE 130 Ca 0.55 -1.91 -0.18 0.00 0.00 0.00 0.00 56.93 55.39 2hgq s PHE 130 Cb 0.02 -1.83 -0.03 0.00 0.00 0.00 0.00 43.02 41.18 2hgq s PHE 130 CO 0.04 -0.82 -0.33 -1.13 -0.00 0.00 0.00 175.22 172.98 2hgq n SER 131 N 4.57 -3.29 -0.13 1.36 3.41 -1.25 -4.40 113.62 113.88 2hgq n SER 131 Ca -0.16 0.12 -0.11 0.00 -0.26 0.00 0.00 58.87 58.46 2hgq n SER 131 Cb 0.46 -0.91 -0.02 0.00 -0.26 0.00 0.00 64.21 63.47 2hgq n SER 131 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2hgq h LYS 132 N -1.46 0.68 -0.93 4.33 1.57 -1.94 0.42 116.57 119.24 2hgq h LYS 132 Ca -0.45 -0.23 0.21 0.00 -1.87 0.00 0.00 60.65 58.31 2hgq h LYS 132 Cb 1.33 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.51 2hgq h LYS 132 CO 0.30 0.80 0.61 1.03 -0.57 0.00 0.00 179.45 181.63 2hgq h SER 133 N 0.49 0.42 0.00 0.86 0.87 -1.87 -1.08 113.55 113.24 2hgq h SER 133 Ca 0.10 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2hgq h SER 133 Cb 0.52 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2hgq h SER 133 CO 0.03 0.16 0.00 0.00 -0.53 0.00 0.00 176.83 176.48 2hgq n ALA 134 N -2.51 -0.25 -0.15 6.23 0.00 0.13 -1.21 120.51 122.76 2hgq n ALA 134 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.64 2hgq n ALA 134 Cb 0.73 0.01 0.02 0.00 0.00 0.00 0.00 19.45 20.21 2hgq n ALA 134 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hgq n LEU 135 N -1.29 -0.25 0.45 0.00 4.32 -0.03 -0.75 117.00 119.44 2hgq n LEU 135 Ca 0.00 0.67 -0.18 0.00 -0.02 0.00 0.00 56.01 56.49 2hgq n LEU 135 Cb 0.00 -0.16 -0.08 0.00 -1.62 0.00 0.00 43.42 41.56 2hgq n LEU 135 CO 0.00 -0.61 0.52 -0.33 -1.22 0.00 0.00 177.39 175.75 2hgq h GLU 136 N 0.00 -1.11 0.00 3.23 5.08 -1.03 -0.87 114.58 119.88 2hgq h GLU 136 Ca 0.14 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2hgq h GLU 136 Cb 0.23 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2hgq h GLU 136 CO -0.38 -0.74 0.00 1.63 -1.00 0.00 0.00 179.01 178.51 2hgq n LYS 137 N -5.19 0.03 0.14 2.33 4.76 -0.35 -1.41 118.16 118.47 2hgq n LYS 137 Ca -0.14 0.27 -0.12 0.00 -2.87 0.00 0.00 58.31 55.44 2hgq n LYS 137 Cb 0.46 -1.55 -0.08 0.00 -1.84 0.00 0.00 35.03 32.02 2hgq n LYS 137 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2hgq h LEU 138 N 0.00 -0.34 -1.11 -0.35 7.12 -0.72 0.14 115.31 120.05 2hgq h LEU 138 Ca 0.00 -0.20 0.12 0.00 0.13 0.00 0.00 57.88 57.93 2hgq h LEU 138 Cb 0.27 0.09 -0.08 0.00 -0.53 0.00 0.00 40.66 40.41 2hgq h LEU 138 CO 0.00 0.08 0.61 0.11 -0.13 0.00 0.00 178.44 179.11 2hgq h LYS 139 N -0.84 0.89 0.06 1.25 1.57 -0.27 -0.84 116.57 118.39 2hgq h LYS 139 Ca -0.04 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2hgq h LYS 139 Cb 0.52 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2hgq h LYS 139 CO 0.07 0.59 -0.03 0.00 -0.57 0.00 0.00 179.45 179.50 2hgq h ALA 140 N 1.55 -0.08 -0.90 3.86 0.00 -1.12 -3.32 119.26 119.26 2hgq h ALA 140 Ca 0.47 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 55.20 2hgq h ALA 140 Cb 0.52 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2hgq h ALA 140 CO -0.23 -0.28 0.58 0.00 0.00 0.00 0.00 179.25 179.32 2hgq h ALA 141 N 0.26 1.53 0.00 0.00 0.00 -0.84 -3.47 119.26 116.74 2hgq h ALA 141 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2hgq h ALA 141 Cb 0.53 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2hgq h ALA 141 CO 0.01 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.00 2hgq n GLY 142 N -1.40 0.82 3.17 0.00 0.00 -0.34 -5.09 105.19 102.35 2hgq n GLY 142 Ca 0.14 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 2hgq n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hgq s GLY 143 N 0.00 -0.09 -0.66 -0.02 0.00 -1.05 -4.79 107.32 100.71 2hgq s GLY 143 Ca 0.00 0.24 -0.10 0.00 0.00 0.00 0.00 44.72 44.86 2hgq s GLY 143 CO 0.00 0.08 0.56 -0.54 0.00 0.00 0.00 173.10 173.20 2hgq s GLU 144 N -1.03 3.01 0.06 2.90 2.02 -0.88 -4.74 118.70 120.05 2hgq s GLU 144 Ca -0.11 -2.23 -0.04 0.00 0.02 0.00 0.00 54.97 52.61 2hgq s GLU 144 Cb -0.05 -4.13 -0.05 0.00 0.10 0.00 0.00 34.13 30.00 2hgq s GLU 144 CO 0.02 -1.24 0.27 -1.25 0.02 0.00 0.00 175.26 173.08 2hgq s PRO 145 N 0.55 3.53 0.13 0.39 0.04 -1.26 -1.70 135.00 136.69 2hgq s PRO 145 Ca 0.13 -0.22 -0.05 0.00 0.04 0.00 0.00 61.00 60.91 2hgq s PRO 145 Cb -0.19 -3.00 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 2hgq s PRO 145 CO -0.04 0.59 0.15 0.08 0.04 0.00 0.00 177.00 177.81 2hgq s VAL 146 N -1.47 0.10 -0.43 -0.36 1.01 -1.26 -4.76 120.40 113.22 2hgq s VAL 146 Ca 0.34 -1.65 0.07 0.00 0.00 0.00 0.00 61.98 60.73 2hgq s VAL 146 Cb -0.13 -1.88 0.18 0.00 0.00 0.00 0.00 36.38 34.55 2hgq s VAL 146 CO 0.23 -0.45 0.61 -0.22 0.00 0.00 0.00 175.10 175.27 2hgq s LEU 147 N -2.99 -1.23 0.62 3.92 1.98 -1.26 -0.80 118.68 118.92 2hgq s LEU 147 Ca 0.19 -1.21 -0.05 0.00 -2.89 0.00 0.00 54.13 50.17 2hgq s LEU 147 Cb 0.06 1.69 0.03 0.00 0.66 0.00 0.00 46.19 48.63 2hgq s LEU 147 CO -0.01 -0.15 0.91 -0.76 -1.89 0.00 0.00 176.35 174.46 2hgq s LEU 148 N 1.48 3.10 0.00 -0.68 1.43 -1.26 -5.11 118.68 117.64 2hgq s LEU 148 Ca 0.20 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2hgq s LEU 148 Cb -0.04 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 42.91 2hgq s LEU 148 CO -0.06 -1.26 0.00 1.21 0.23 0.00 0.00 176.35 176.47 2hgq n GLU 149 N -2.65 3.38 0.00 1.70 0.00 -1.26 -5.13 120.64 116.68 2hgq n GLU 149 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 57.16 57.37 2hgq n GLU 149 Cb 0.59 0.00 0.66 0.00 0.00 0.00 0.00 31.44 32.69 2hgq n GLU 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13