#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgu n ARG 7 N 0.00 0.00 -1.13 1.96 3.00 -1.26 -5.06 116.66 114.18 2hgu n ARG 7 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.85 57.47 2hgu n ARG 7 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 2hgu n ARG 7 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2hgu n PRO 8 N -2.26 1.93 0.00 5.56 -0.02 -1.26 -4.95 135.00 134.01 2hgu n PRO 8 Ca 0.00 -1.86 0.00 0.00 -2.02 0.00 0.00 63.50 59.62 2hgu n PRO 8 Cb 0.00 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 30.64 2hgu n PRO 8 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2hgu n ASN 9 N 6.26 0.00 -4.85 2.55 0.23 -1.26 -4.87 115.26 113.32 2hgu n ASN 9 Ca 0.50 0.00 -0.34 0.00 -0.53 0.00 0.00 54.58 54.20 2hgu n ASN 9 Cb 0.32 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.97 2hgu n ASN 9 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2hgu s PRO 10 N 0.00 3.96 0.00 -0.53 0.04 -1.26 -5.05 135.00 132.15 2hgu s PRO 10 Ca 0.00 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.51 2hgu s PRO 10 Cb 0.00 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.69 2hgu s PRO 10 CO 0.00 0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.88 2hgu n GLY 11 N 0.56 -3.13 0.00 0.56 0.00 -1.26 -4.81 105.19 97.11 2hgu n GLY 11 Ca -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2hgu n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgu n ALA 12 N -3.00 0.00 -0.00 4.61 0.00 -1.26 -4.84 120.51 116.02 2hgu n ALA 12 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgu n ALA 12 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.51 2hgu n ALA 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2hgu n ASN 13 N -0.42 0.12 0.00 0.00 2.04 -1.26 -4.95 115.26 110.79 2hgu n ASN 13 Ca 0.00 0.02 0.00 0.00 -0.44 0.00 0.00 54.58 54.16 2hgu n ASN 13 Cb 0.00 -0.39 0.00 0.00 -2.53 0.00 0.00 39.78 36.86 2hgu n ASN 13 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 2hgu n LYS 14 N -2.62 0.00 -2.06 -3.83 5.02 -1.26 -4.75 118.16 108.66 2hgu n LYS 14 Ca -0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 2hgu n LYS 14 Cb 0.03 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.01 2hgu n LYS 14 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2hgu s ARG 15 N 0.00 4.26 0.00 1.97 6.06 -1.26 -4.57 118.95 125.41 2hgu s ARG 15 Ca 0.00 2.19 0.00 0.00 -2.50 0.00 0.00 55.73 55.42 2hgu s ARG 15 Cb 0.00 -3.35 0.00 0.00 0.06 0.00 0.00 34.95 31.66 2hgu s ARG 15 CO 0.00 -0.57 0.00 -2.13 -2.50 0.00 0.00 175.30 170.10 2hgu n ARG 16 N 4.54 0.00 -0.00 5.12 0.00 -1.26 -4.86 116.66 120.20 2hgu n ARG 16 Ca 0.13 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 58.09 2hgu n ARG 16 Cb 0.41 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.73 2hgu n ARG 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2hgu n LYS 17 N 0.50 0.30 -0.92 -0.14 3.00 -1.26 -4.79 118.16 114.85 2hgu n LYS 17 Ca 0.00 -0.09 -0.02 0.00 -0.00 0.00 0.00 58.31 58.21 2hgu n LYS 17 Cb 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 35.03 33.50 2hgu n LYS 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2hgu n ARG 18 N -1.85 0.00 -2.17 1.64 5.12 -1.26 -5.01 116.66 113.13 2hgu n ARG 18 Ca 0.00 -0.97 -0.31 0.00 -1.93 0.00 0.00 57.85 54.64 2hgu n ARG 18 Cb 0.44 0.12 -0.05 0.00 -1.16 0.00 0.00 32.46 31.81 2hgu n ARG 18 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2hgu s VAL 19 N 0.00 3.64 0.10 1.55 -7.23 -1.26 -4.79 120.40 112.41 2hgu s VAL 19 Ca 0.08 -0.97 -0.20 0.00 -1.81 0.00 0.00 61.98 59.07 2hgu s VAL 19 Cb 0.09 -4.59 -0.04 0.00 0.56 0.00 0.00 36.38 32.39 2hgu s VAL 19 CO -0.04 -1.20 1.05 0.61 -0.31 0.00 0.00 175.10 175.22 2hgu n GLY 20 N 5.99 -1.88 1.11 2.32 0.00 -1.26 -4.92 105.19 106.55 2hgu n GLY 20 Ca 0.44 0.80 0.00 0.00 0.00 0.00 0.00 46.02 47.26 2hgu n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgu n ARG 21 N -4.68 0.00 -1.52 1.61 1.74 -1.26 -4.96 116.66 107.59 2hgu n ARG 21 Ca 0.01 0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.22 2hgu n ARG 21 Cb 0.17 -1.11 -0.07 0.00 -1.02 0.00 0.00 32.46 30.43 2hgu n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hgu n GLY 22 N -1.10 -3.66 0.28 -0.13 0.00 -1.26 -4.80 105.19 94.52 2hgu n GLY 22 Ca 0.00 -0.97 0.13 0.00 0.00 0.00 0.00 46.02 45.18 2hgu n GLY 22 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2hgu h PRO 23 N -0.93 0.00 -1.84 1.61 0.11 -1.93 -3.46 132.00 125.56 2hgu h PRO 23 Ca -0.14 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.88 2hgu h PRO 23 Cb 1.28 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 2hgu h PRO 23 CO 0.05 0.06 0.12 0.41 -0.21 0.00 0.00 178.00 178.43 2hgu n GLY 24 N -1.06 2.96 0.00 -0.55 0.00 -1.20 -2.93 105.19 102.41 2hgu n GLY 24 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2hgu n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hgu n SER 25 N 1.15 0.00 0.00 1.61 3.41 -1.26 -4.65 113.62 113.88 2hgu n SER 25 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2hgu n SER 25 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2hgu n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hgu n GLY 26 N 2.39 -2.80 0.00 5.00 0.00 -1.26 -4.91 105.19 103.61 2hgu n GLY 26 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2hgu n GLY 26 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2hgu n HIS 27 N -0.53 0.00 0.00 1.61 -0.00 -1.26 -5.18 115.22 109.85 2hgu n HIS 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2hgu n HIS 27 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2hgu n HIS 27 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2hgu n GLY 28 N 5.00 1.22 2.68 -1.41 0.00 -1.15 -3.21 105.19 108.32 2hgu n GLY 28 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 2hgu n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2hgu n LYS 29 N 0.00 0.28 0.00 1.61 -0.00 -1.26 -4.64 118.16 114.15 2hgu n LYS 29 Ca 0.00 -0.91 0.00 0.00 -0.00 0.00 0.00 58.31 57.40 2hgu n LYS 29 Cb 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 35.03 34.66 2hgu n LYS 29 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2hgu n THR 30 N 0.90 0.00 0.00 0.58 -2.24 -1.26 -4.70 114.28 107.56 2hgu n THR 30 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2hgu n THR 30 Cb 0.73 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 2hgu n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hgu n ALA 31 N -0.37 0.00 -2.04 6.98 0.00 -1.26 -5.07 120.51 118.75 2hgu n ALA 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgu n ALA 31 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgu n ALA 31 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2hgu n THR 32 N 0.00 0.00 -2.83 0.00 -2.24 -1.26 -5.17 114.28 102.78 2hgu n THR 32 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2hgu n THR 32 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2hgu n THR 32 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2hgu n ARG 33 N 0.00 0.84 0.19 -0.78 1.85 -1.26 -4.99 116.66 112.51 2hgu n ARG 33 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2hgu n ARG 33 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2hgu n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2hgu n GLY 34 N 1.05 -0.28 0.27 2.89 0.00 -1.26 -1.46 105.19 106.40 2hgu n GLY 34 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2hgu n GLY 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2hgu h HIS 35 N 0.00 -0.59 -3.30 1.61 3.86 -2.02 -3.38 115.15 111.33 2hgu h HIS 35 Ca 0.00 0.05 -0.67 0.00 -1.16 0.00 0.00 60.37 58.59 2hgu h HIS 35 Cb 1.24 0.32 -0.33 0.00 1.06 0.00 0.00 27.41 29.70 2hgu h HIS 35 CO 0.00 -0.30 -0.80 0.15 0.86 0.00 0.00 177.93 177.84 2hgu s LYS 36 N -6.11 2.98 0.00 2.45 -0.14 -0.53 -4.98 119.74 113.41 2hgu s LYS 36 Ca -0.14 -0.86 0.00 0.00 -1.36 0.00 0.00 55.97 53.61 2hgu s LYS 36 Cb 0.14 -2.79 0.00 0.00 -1.68 0.00 0.00 37.83 33.50 2hgu s LYS 36 CO 0.69 -0.28 0.00 0.41 -0.76 0.00 0.00 175.35 175.41 2hgu n GLY 37 N 4.66 3.17 0.00 -3.33 0.00 -1.26 -4.90 105.19 103.52 2hgu n GLY 37 Ca -0.19 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 43.96 2hgu n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2hgu n GLN 38 N 0.00 0.00 -0.25 1.61 7.27 -1.26 -3.89 117.38 120.86 2hgu n GLN 38 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 57.00 57.12 2hgu n GLN 38 Cb 0.00 -0.50 0.10 0.00 2.41 0.00 0.00 30.24 32.25 2hgu n GLN 38 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2hgu n LYS 39 N -0.42 -0.06 0.00 3.69 4.76 -1.26 -4.37 118.16 120.49 2hgu n LYS 39 Ca 0.00 1.07 0.00 0.00 -2.87 0.00 0.00 58.31 56.51 2hgu n LYS 39 Cb 0.00 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.59 2hgu n LYS 39 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2hgu n SER 40 N -5.10 0.00 -1.82 4.39 2.88 -1.25 -4.88 113.62 107.83 2hgu n SER 40 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2hgu n SER 40 Cb 0.36 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 2hgu n SER 40 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2hgu n ARG 41 N 0.00 0.00 0.00 -1.46 5.12 -1.26 -4.78 116.66 114.28 2hgu n ARG 41 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2hgu n ARG 41 Cb 0.00 -0.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.84 2hgu n ARG 41 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2hgu n SER 42 N 1.93 -0.00 -4.40 0.55 7.64 -1.26 -4.58 113.62 113.51 2hgu n SER 42 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 2hgu n SER 42 Cb 0.20 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.32 2hgu n SER 42 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hgu n GLY 43 N 0.00 -0.33 0.00 0.23 0.00 -1.26 -4.88 105.19 98.95 2hgu n GLY 43 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2hgu n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgu n GLY 44 N 5.62 0.00 0.00 -0.02 0.00 -1.26 -4.34 105.19 105.19 2hgu n GLY 44 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2hgu n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2hgu n LEU 45 N 0.00 1.48 -4.54 0.99 7.94 -1.26 -4.93 117.00 116.67 2hgu n LEU 45 Ca 0.00 0.07 -0.34 0.00 -1.11 0.00 0.00 56.01 54.63 2hgu n LEU 45 Cb 0.00 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.83 2hgu n LEU 45 CO 0.00 0.00 -0.37 -1.59 -1.11 0.00 0.00 177.39 174.32 2hgu s LYS 46 N -0.14 3.20 0.00 1.96 0.00 -1.26 -5.08 119.74 118.41 2hgu s LYS 46 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 55.97 55.44 2hgu s LYS 46 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 37.83 35.08 2hgu s LYS 46 CO 0.00 0.47 0.00 -0.25 0.00 0.00 0.00 175.35 175.57 2hgu n ASP 47 N 2.84 0.00 -0.01 0.03 9.92 -1.26 -4.01 116.55 124.06 2hgu n ASP 47 Ca -0.18 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.09 2hgu n ASP 47 Cb 0.53 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.02 2hgu n ASP 47 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2hgu n PRO 48 N 0.00 -0.00 -0.23 -0.24 -0.02 -1.26 0.78 135.00 134.03 2hgu n PRO 48 Ca 0.00 0.03 -0.06 0.00 -2.02 0.00 0.00 63.50 61.45 2hgu n PRO 48 Cb 0.00 -0.06 0.05 0.00 -0.02 0.00 0.00 33.50 33.47 2hgu n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hgu h ARG 49 N 0.00 0.87 0.00 -0.52 -0.00 -1.99 0.18 114.38 112.93 2hgu h ARG 49 Ca 0.02 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.98 59.40 2hgu h ARG 49 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 29.97 29.83 2hgu h ARG 49 CO -0.01 0.60 -0.19 -0.09 0.00 0.00 0.00 179.97 180.28 2hgu h ARG 50 N 0.89 0.00 0.84 0.04 9.65 0.23 0.16 114.38 126.19 2hgu h ARG 50 Ca 0.24 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.08 2hgu h ARG 50 Cb -0.07 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.52 2hgu h ARG 50 CO -0.05 0.19 -0.43 0.35 2.80 0.00 0.00 179.97 182.83 2hgu h PHE 51 N 0.00 -1.11 0.00 2.20 3.57 -0.62 0.27 116.94 121.24 2hgu h PHE 51 Ca -0.00 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 2hgu h PHE 51 Cb 0.39 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 2hgu h PHE 51 CO 0.00 -0.68 -0.23 1.05 -2.23 0.00 0.00 178.31 176.22 2hgu h GLU 52 N -1.16 0.00 -0.54 1.11 9.09 -0.57 -0.50 114.58 122.02 2hgu h GLU 52 Ca -0.11 0.00 0.05 0.00 0.05 0.00 0.00 59.36 59.35 2hgu h GLU 52 Cb 0.90 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.95 2hgu h GLU 52 CO 0.17 0.23 0.26 0.78 0.05 0.00 0.00 179.01 180.50 2hgu h GLY 53 N 1.32 0.76 2.00 1.06 0.00 -0.57 -2.49 103.07 105.15 2hgu h GLY 53 Ca -0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 2hgu h GLY 53 CO 0.03 0.09 -0.54 -1.33 0.00 0.00 0.00 176.54 174.80 2hgu h GLY 54 N 0.50 0.00 -6.68 4.60 0.00 -0.60 -3.43 103.07 97.46 2hgu h GLY 54 Ca 0.25 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.96 2hgu h GLY 54 CO -0.19 0.00 0.23 0.50 0.00 0.00 0.00 176.54 177.08 2hgu s ARG 55 N -3.31 3.81 0.00 4.80 0.52 -0.22 -4.93 118.95 119.61 2hgu s ARG 55 Ca 0.01 0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.48 2hgu s ARG 55 Cb 0.10 -3.77 0.00 0.00 0.52 0.00 0.00 34.95 31.80 2hgu s ARG 55 CO 0.73 -0.69 0.00 0.45 0.02 0.00 0.00 175.30 175.81 2hgu n SER 56 N 6.08 0.00 0.00 0.23 2.88 -1.26 -4.78 113.62 116.77 2hgu n SER 56 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2hgu n SER 56 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 2hgu n SER 56 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2hgu n THR 57 N -0.47 0.00 0.00 2.46 -1.04 -1.26 -5.06 114.28 108.91 2hgu n THR 57 Ca 0.00 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2hgu n THR 57 Cb 0.00 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 2hgu n THR 57 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2hgu n THR 58 N 0.00 0.00 -1.25 12.58 -1.04 -1.26 -4.99 114.28 118.32 2hgu n THR 58 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 2hgu n THR 58 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 2hgu n THR 58 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hgu n LEU 59 N 0.00 6.56 -3.09 -4.42 -0.00 -1.26 -4.72 117.00 110.07 2hgu n LEU 59 Ca 0.00 -3.78 -0.11 0.00 -0.00 0.00 0.00 56.01 52.12 2hgu n LEU 59 Cb 0.00 -1.15 -0.03 0.00 -0.00 0.00 0.00 43.42 42.24 2hgu n LEU 59 CO 0.00 1.51 -0.03 0.00 -0.00 0.00 0.00 177.39 178.87 2hgu s MET 60 N -1.91 0.91 0.09 1.47 0.23 -1.26 -5.14 119.30 113.70 2hgu s MET 60 Ca 0.48 -1.13 -0.21 0.00 -1.03 0.00 0.00 55.69 53.80 2hgu s MET 60 Cb 0.34 -0.45 -0.07 0.00 -1.53 0.00 0.00 34.83 33.11 2hgu s MET 60 CO -0.13 -1.29 0.64 1.03 -2.03 0.00 0.00 175.02 173.24 2hgu s ARG 61 N 0.96 4.33 0.39 3.16 0.52 -1.26 -5.07 118.95 121.97 2hgu s ARG 61 Ca 0.26 0.87 0.08 0.00 -0.52 0.00 0.00 55.73 56.41 2hgu s ARG 61 Cb -0.03 -3.26 -0.00 0.00 0.52 0.00 0.00 34.95 32.18 2hgu s ARG 61 CO -0.08 0.58 0.50 -0.51 0.02 0.00 0.00 175.30 175.81 2hgu s LEU 62 N -0.99 3.70 0.00 2.53 1.02 -1.26 -5.13 118.68 118.55 2hgu s LEU 62 Ca 0.31 -0.41 0.00 0.00 0.02 0.00 0.00 54.13 54.05 2hgu s LEU 62 Cb -0.20 -2.57 0.00 0.00 0.02 0.00 0.00 46.19 43.44 2hgu s LEU 62 CO 0.21 -0.64 0.00 -0.81 0.02 0.00 0.00 176.35 175.13 2hgu n PRO 63 N -1.72 0.00 -2.39 1.29 -0.04 -1.26 -5.05 135.00 125.82 2hgu n PRO 63 Ca 0.05 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.36 2hgu n PRO 63 Cb 0.59 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.08 2hgu n PRO 63 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2hgu n LYS 64 N 0.00 2.77 0.00 0.54 -0.00 -1.26 -5.07 118.16 115.14 2hgu n LYS 64 Ca 0.00 -3.91 0.00 0.00 -0.00 0.00 0.00 58.31 54.40 2hgu n LYS 64 Cb 0.00 -1.97 0.00 0.00 -0.00 0.00 0.00 35.03 33.06 2hgu n LYS 64 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2hgu n ARG 65 N -0.61 3.95 0.00 -1.58 -4.01 -1.26 -5.13 116.66 108.02 2hgu n ARG 65 Ca 0.28 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.09 2hgu n ARG 65 Cb 0.87 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 30.29 2hgu n ARG 65 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2hgu n GLY 66 N 5.00 -1.38 0.00 2.89 0.00 -1.26 -5.08 105.19 105.36 2hgu n GLY 66 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2hgu n GLY 66 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2hgu n MET 67 N 0.00 0.00 -1.75 1.61 1.56 -1.26 -5.17 117.12 112.11 2hgu n MET 67 Ca 0.00 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 57.12 2hgu n MET 67 Cb 0.00 0.00 0.05 0.00 2.15 0.00 0.00 33.22 35.42 2hgu n MET 67 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2hgu s GLN 68 N 0.00 2.94 0.00 2.12 -0.21 -1.26 -5.07 119.66 118.18 2hgu s GLN 68 Ca 0.00 0.68 0.00 0.00 0.02 0.00 0.00 55.36 56.06 2hgu s GLN 68 Cb 0.00 -2.01 0.00 0.00 1.00 0.00 0.00 33.01 32.00 2hgu s GLN 68 CO 0.00 -1.03 0.00 0.41 -2.12 0.00 0.00 175.29 172.55 2hgu n GLY 69 N -2.55 -1.09 0.00 3.09 0.00 -1.26 -5.08 105.19 98.31 2hgu n GLY 69 Ca 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2hgu n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgu n GLN 70 N 0.00 0.00 -3.77 1.61 10.64 -1.26 -5.09 117.38 119.52 2hgu n GLN 70 Ca 0.00 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.89 2hgu n GLN 70 Cb 0.00 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.26 2hgu n GLN 70 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2hgu s VAL 71 N 0.00 2.04 0.00 -0.39 1.01 -1.26 -5.07 120.40 116.74 2hgu s VAL 71 Ca 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 61.98 58.50 2hgu s VAL 71 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 34.00 2hgu s VAL 71 CO 0.00 -1.00 0.00 -2.65 0.00 0.00 0.00 175.10 171.45 2hgu n PRO 72 N 2.62 0.00 -0.10 2.72 -0.02 -1.26 -4.89 135.00 134.07 2hgu n PRO 72 Ca 0.17 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.63 2hgu n PRO 72 Cb 0.37 -0.63 -0.01 0.00 -0.02 0.00 0.00 33.50 33.21 2hgu n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hgu n GLY 73 N 1.68 1.45 3.70 -1.23 0.00 -1.26 -3.39 105.19 106.15 2hgu n GLY 73 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2hgu n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hgu s GLU 74 N 3.57 4.21 -0.56 1.61 2.56 -0.35 -4.87 118.70 124.88 2hgu s GLU 74 Ca 0.06 2.32 -0.28 0.00 0.00 0.00 0.00 54.97 57.07 2hgu s GLU 74 Cb 0.02 -3.40 0.01 0.00 2.00 0.00 0.00 34.13 32.76 2hgu s GLU 74 CO -0.00 -0.66 1.51 0.42 -0.56 0.00 0.00 175.26 175.97 2hgu s ILE 75 N 1.94 3.68 0.08 -3.70 -1.09 -1.26 -1.01 121.20 119.84 2hgu s ILE 75 Ca 0.71 0.56 0.07 0.00 -2.23 0.00 0.00 60.65 59.76 2hgu s ILE 75 Cb -0.41 -4.32 -0.04 0.00 -1.58 0.00 0.00 42.46 36.11 2hgu s ILE 75 CO 0.32 -1.11 -0.12 -0.75 -1.23 0.00 0.00 174.94 172.05 2hgu s LYS 76 N 5.80 2.12 -0.25 2.79 2.20 -0.39 -4.64 119.74 127.36 2hgu s LYS 76 Ca 0.56 -1.00 0.03 0.00 -0.36 0.00 0.00 55.97 55.19 2hgu s LYS 76 Cb -0.12 -2.28 0.06 0.00 -1.51 0.00 0.00 37.83 33.98 2hgu s LYS 76 CO 0.24 0.52 -0.11 0.50 -0.36 0.00 0.00 175.35 176.15 2hgu s ARG 77 N -1.98 2.18 0.50 4.03 3.52 -1.26 -0.64 118.95 125.29 2hgu s ARG 77 Ca 0.19 -1.29 0.26 0.00 -0.13 0.00 0.00 55.73 54.77 2hgu s ARG 77 Cb -0.11 -2.84 1.43 0.00 -1.56 0.00 0.00 34.95 31.87 2hgu s ARG 77 CO 0.11 -0.56 1.78 -1.00 -0.81 0.00 0.00 175.30 174.81 2hgu h PRO 78 N 7.80 0.00 0.31 5.12 0.13 -1.85 1.12 132.00 144.63 2hgu h PRO 78 Ca -0.20 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.92 2hgu h PRO 78 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2hgu h PRO 78 CO 0.46 0.00 -0.15 -0.09 -0.23 0.00 0.00 178.00 177.99 2hgu h ARG 79 N 0.00 -0.40 -0.02 0.86 9.65 -1.91 -0.19 114.38 122.36 2hgu h ARG 79 Ca 0.00 0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.94 2hgu h ARG 79 Cb 0.38 0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 29.00 2hgu h ARG 79 CO 0.00 -0.23 -0.33 -0.92 2.80 0.00 0.00 179.97 181.29 2hgu h TYR 80 N -0.47 -0.91 0.00 2.20 3.20 0.82 0.22 116.97 122.03 2hgu h TYR 80 Ca -0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2hgu h TYR 80 Cb 0.36 0.40 0.00 0.00 1.54 0.00 0.00 36.73 39.03 2hgu h TYR 80 CO -0.04 -0.42 0.00 1.04 -1.64 0.00 0.00 178.16 177.10 2hgu n GLN 81 N -5.42 0.00 0.17 1.82 1.13 -0.49 -1.69 117.38 112.91 2hgu n GLN 81 Ca -0.05 0.34 0.06 0.00 -1.94 0.00 0.00 57.00 55.42 2hgu n GLN 81 Cb 0.33 -0.71 0.08 0.00 0.11 0.00 0.00 30.24 30.05 2hgu n GLN 81 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2hgu h GLY 82 N 0.00 0.00 0.49 1.08 0.00 -1.11 -0.08 103.07 103.45 2hgu h GLY 82 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 2hgu h GLY 82 CO 0.00 0.00 0.15 -0.39 0.00 0.00 0.00 176.54 176.30 2hgu h VAL 83 N 0.00 0.80 0.00 4.60 -1.51 -0.78 -3.44 116.25 115.92 2hgu h VAL 83 Ca -0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 2hgu h VAL 83 Cb 1.23 0.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 2hgu h VAL 83 CO 0.04 0.06 0.00 0.59 -1.23 0.00 0.00 177.57 177.02 2hgu n ASN 84 N -5.04 0.00 -1.12 4.19 5.03 -0.68 -5.06 115.26 112.58 2hgu n ASN 84 Ca 0.05 0.00 -0.06 0.00 0.87 0.00 0.00 54.58 55.44 2hgu n ASN 84 Cb 0.21 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 38.91 2hgu n ASN 84 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2hgu n LEU 85 N 0.00 -0.92 0.00 3.41 4.32 -0.10 -4.99 117.00 118.72 2hgu n LEU 85 Ca 0.00 -2.07 0.00 0.00 -0.02 0.00 0.00 56.01 53.92 2hgu n LEU 85 Cb 0.00 0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 2hgu n LEU 85 CO 0.00 1.46 0.00 0.29 -1.22 0.00 0.00 177.39 177.92 2hgu n LYS 86 N -0.07 0.00 -2.66 3.23 4.76 -0.87 -4.77 118.16 117.79 2hgu n LYS 86 Ca -0.26 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.16 2hgu n LYS 86 Cb 0.73 0.00 0.11 0.00 -1.84 0.00 0.00 35.03 34.04 2hgu n LYS 86 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2hgu n ASP 87 N 0.00 -1.11 -2.25 4.39 2.03 -1.26 -5.09 116.55 113.25 2hgu n ASP 87 Ca 0.00 -1.68 0.00 0.00 0.52 0.00 0.00 54.79 53.63 2hgu n ASP 87 Cb 0.00 1.04 0.00 0.00 -0.72 0.00 0.00 41.12 41.44 2hgu n ASP 87 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2hgu n LEU 88 N 0.57 -0.24 0.07 -2.67 0.00 -1.26 -2.70 117.00 110.77 2hgu n LEU 88 Ca -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 56.01 55.64 2hgu n LEU 88 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.18 2hgu n LEU 88 CO -0.12 -0.42 0.00 0.00 0.00 0.00 0.00 177.39 176.85 2hgu n ALA 89 N 1.76 0.00 -3.78 1.96 0.00 -1.26 -4.91 120.51 114.27 2hgu n ALA 89 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 2hgu n ALA 89 Cb 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.34 2hgu n ALA 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2hgu s ARG 90 N -2.00 0.70 0.10 0.00 3.52 -1.10 -3.58 118.95 116.59 2hgu s ARG 90 Ca 0.00 0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 2hgu s ARG 90 Cb 0.00 -1.03 0.00 0.00 -1.56 0.00 0.00 34.95 32.36 2hgu s ARG 90 CO 0.00 -0.30 0.00 0.34 -0.81 0.00 0.00 175.30 174.53 2hgu n PHE 91 N 5.13 -0.88 -1.31 5.12 7.35 -1.26 -4.84 117.46 126.76 2hgu n PHE 91 Ca -0.08 0.16 0.07 0.00 -0.76 0.00 0.00 57.45 56.84 2hgu n PHE 91 Cb 0.50 0.51 -0.04 0.00 0.35 0.00 0.00 39.48 40.80 2hgu n PHE 91 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2hgu n GLU 92 N -2.87 -3.26 -0.17 -4.13 -0.58 -1.26 -1.52 120.64 106.85 2hgu n GLU 92 Ca 0.00 2.59 -0.03 0.00 -0.42 0.00 0.00 57.16 59.30 2hgu n GLU 92 Cb 0.02 -3.44 0.04 0.00 -0.57 0.00 0.00 31.44 27.49 2hgu n GLU 92 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2hgu h GLY 93 N -0.51 0.33 -0.58 0.62 0.00 -1.92 0.12 103.07 101.13 2hgu h GLY 93 Ca -0.08 0.20 0.12 0.00 0.00 0.00 0.00 47.33 47.57 2hgu h GLY 93 CO 0.03 -0.21 -0.32 -2.09 0.00 0.00 0.00 176.54 173.95 2hgu h GLU 94 N -0.02 -0.09 0.00 4.80 4.22 -2.00 0.20 114.58 121.68 2hgu h GLU 94 Ca 0.25 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.70 2hgu h GLU 94 Cb 0.41 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2hgu h GLU 94 CO -0.55 -0.06 0.00 0.28 -2.18 0.00 0.00 179.01 176.49 2hgu h VAL 95 N -0.10 0.00 0.00 0.32 2.07 0.26 -3.35 116.25 115.45 2hgu h VAL 95 Ca 0.28 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2hgu h VAL 95 Cb 0.57 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2hgu h VAL 95 CO -0.77 0.00 0.00 0.35 0.02 0.00 0.00 177.57 177.17 2hgu n THR 96 N -2.70 0.19 0.16 2.57 -2.24 0.69 -4.53 114.28 108.43 2hgu n THR 96 Ca 0.02 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.73 2hgu n THR 96 Cb 0.30 -0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 2hgu n THR 96 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2hgu h PRO 97 N 0.67 -0.40 -0.83 -0.78 0.13 -1.76 -1.37 132.00 127.66 2hgu h PRO 97 Ca 0.00 0.03 0.33 0.00 -0.87 0.00 0.00 66.00 65.48 2hgu h PRO 97 Cb 0.35 0.09 -0.12 0.00 0.13 0.00 0.00 31.00 31.44 2hgu h PRO 97 CO 0.00 -0.26 0.48 -1.91 -0.23 0.00 0.00 178.00 176.08 2hgu n GLU 98 N -3.13 -0.04 -1.61 0.86 2.13 -1.26 -4.32 120.64 113.26 2hgu n GLU 98 Ca -0.05 1.00 -0.37 0.00 0.66 0.00 0.00 57.16 58.40 2hgu n GLU 98 Cb 0.16 -1.85 0.06 0.00 0.27 0.00 0.00 31.44 30.09 2hgu n GLU 98 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2hgu n LEU 99 N -4.53 4.16 -0.80 4.31 0.00 -0.52 -4.85 117.00 114.77 2hgu n LEU 99 Ca 0.29 0.79 0.04 0.00 0.00 0.00 0.00 56.01 57.12 2hgu n LEU 99 Cb 1.03 -1.42 0.14 0.00 0.00 0.00 0.00 43.42 43.17 2hgu n LEU 99 CO 0.05 -1.74 0.54 0.18 0.00 0.00 0.00 177.39 176.42 2hgu n LEU 100 N -1.12 2.23 -2.63 -1.96 4.77 -1.26 -3.05 117.00 113.98 2hgu n LEU 100 Ca 0.14 -1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 54.71 2hgu n LEU 100 Cb 0.48 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2hgu n LEU 100 CO 0.48 0.39 0.37 1.33 -1.33 0.00 0.00 177.39 178.63 2hgu n VAL 101 N 0.29 2.72 0.00 4.08 0.24 -1.26 -4.08 118.33 120.31 2hgu n VAL 101 Ca 0.10 -5.00 0.00 0.00 -2.04 0.00 0.00 64.34 57.40 2hgu n VAL 101 Cb 0.44 -1.29 0.00 0.00 -1.47 0.00 0.00 33.84 31.52 2hgu n VAL 101 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2hgu n ARG 102 N -0.44 0.00 -0.49 7.34 1.85 -1.26 -4.82 116.66 118.83 2hgu n ARG 102 Ca 0.40 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 57.35 2hgu n ARG 102 Cb 0.56 0.00 0.34 0.00 -1.05 0.00 0.00 32.46 32.31 2hgu n ARG 102 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2hgu n ALA 103 N 0.00 2.73 -1.85 2.89 0.00 -1.17 -4.24 120.51 118.87 2hgu n ALA 103 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 53.44 51.98 2hgu n ALA 103 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2hgu n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgu n GLY 104 N 1.35 0.09 0.00 0.00 0.00 -1.26 -4.90 105.19 100.46 2hgu n GLY 104 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2hgu n GLY 104 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2hgu n LEU 105 N 0.00 0.00 0.00 0.99 0.00 -1.26 -4.97 117.00 111.76 2hgu n LEU 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2hgu n LEU 105 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2hgu n LEU 105 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 177.39 177.57 2hgu n LEU 106 N 0.00 0.00 -0.41 -1.96 4.77 -1.26 -4.93 117.00 113.21 2hgu n LEU 106 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 2hgu n LEU 106 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 2hgu n LEU 106 CO 0.00 0.00 0.08 2.29 -1.33 0.00 0.00 177.39 178.43 2hgu n LYS 107 N 0.00 0.00 0.00 3.23 2.85 -1.26 -5.05 118.16 117.93 2hgu n LYS 107 Ca 0.00 -0.15 0.00 0.00 -1.05 0.00 0.00 58.31 57.11 2hgu n LYS 107 Cb 0.00 0.28 0.00 0.00 -0.65 0.00 0.00 35.03 34.66 2hgu n LYS 107 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2hgu n LYS 108 N 0.00 0.00 -4.06 -1.58 0.00 -1.26 -2.27 118.16 108.99 2hgu n LYS 108 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 58.31 57.95 2hgu n LYS 108 Cb 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.14 2hgu n LYS 108 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2hgu s GLY 109 N -3.16 1.71 0.16 3.14 0.00 -1.26 -4.19 107.32 103.72 2hgu s GLY 109 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 44.72 42.80 2hgu s GLY 109 CO 0.00 0.68 0.00 2.98 0.00 0.00 0.00 173.10 176.76 2hgu n TYR 110 N 4.40 -3.13 0.00 1.90 -0.00 -0.96 -5.10 117.16 114.26 2hgu n TYR 110 Ca -0.10 0.54 0.00 0.00 -0.00 0.00 0.00 57.90 58.34 2hgu n TYR 110 Cb 0.42 1.66 0.00 0.00 -0.00 0.00 0.00 39.34 41.42 2hgu n TYR 110 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 2hgu n ARG 111 N -2.83 0.00 -3.61 2.98 1.85 -1.22 -4.65 116.66 109.18 2hgu n ARG 111 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 2hgu n ARG 111 Cb 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.30 2hgu n ARG 111 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2hgu s LEU 112 N 0.00 4.03 -0.04 2.89 1.43 -1.26 -1.21 118.68 124.52 2hgu s LEU 112 Ca 0.00 0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.09 2hgu s LEU 112 Cb 0.00 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 2hgu s LEU 112 CO 0.00 -0.03 0.12 -0.75 0.23 0.00 0.00 176.35 175.92 2hgu s LYS 113 N 1.61 3.25 -1.11 1.70 2.36 -0.18 -2.95 119.74 124.43 2hgu s LYS 113 Ca 0.07 -0.36 -0.23 0.00 -2.55 0.00 0.00 55.97 52.91 2hgu s LYS 113 Cb -0.15 -3.00 -0.10 0.00 -1.05 0.00 0.00 37.83 33.52 2hgu s LYS 113 CO 0.10 0.69 1.93 -0.89 1.55 0.00 0.00 175.35 178.72 2hgu n ILE 114 N 1.34 1.88 0.51 5.43 -0.00 0.54 -1.27 119.36 127.79 2hgu n ILE 114 Ca -0.14 -1.90 0.00 0.00 -0.00 0.00 0.00 62.75 60.71 2hgu n ILE 114 Cb 0.53 -2.19 0.00 0.00 -0.00 0.00 0.00 39.64 37.98 2hgu n ILE 114 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 2hgu n LEU 115 N 13.20 1.13 -2.50 1.39 4.32 0.19 -4.28 117.00 130.44 2hgu n LEU 115 Ca 0.46 -0.56 -0.24 0.00 -0.02 0.00 0.00 56.01 55.64 2hgu n LEU 115 Cb 0.45 -0.25 -0.00 0.00 -1.62 0.00 0.00 43.42 42.00 2hgu n LEU 115 CO 0.75 0.20 -0.25 0.61 -1.22 0.00 0.00 177.39 177.48 2hgu n GLY 116 N 0.55 -1.58 0.00 -0.72 0.00 -1.25 -4.35 105.19 97.84 2hgu n GLY 116 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgu n GLY 116 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2hgu n GLU 117 N 0.77 0.00 -1.70 1.61 0.00 -1.06 -4.85 120.64 115.41 2hgu n GLU 117 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.79 2hgu n GLU 117 Cb 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.64 2hgu n GLU 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hgu n GLY 118 N 0.00 1.41 7.00 -1.84 0.00 -1.26 -4.37 105.19 106.13 2hgu n GLY 118 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.64 2hgu n GLY 118 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hgu n GLU 119 N 3.75 0.00 -1.73 1.61 -0.58 -1.26 -4.46 120.64 117.97 2hgu n GLU 119 Ca 0.16 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.52 2hgu n GLU 119 Cb 0.33 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.25 2hgu n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2hgu n ALA 120 N 8.42 1.34 -2.22 0.62 0.00 -1.26 -4.94 120.51 122.46 2hgu n ALA 120 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 53.44 53.48 2hgu n ALA 120 Cb 0.00 -2.33 0.08 0.00 0.00 0.00 0.00 19.45 17.20 2hgu n ALA 120 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2hgu n LYS 121 N -1.30 1.75 0.00 0.00 5.02 -1.26 -2.58 118.16 119.79 2hgu n LYS 121 Ca 0.12 -3.26 0.00 0.00 -2.02 0.00 0.00 58.31 53.16 2hgu n LYS 121 Cb 0.46 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 2hgu n LYS 121 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2hgu n PRO 122 N -0.50 0.77 0.00 1.97 -0.04 -1.26 -2.24 135.00 133.70 2hgu n PRO 122 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2hgu n PRO 122 Cb 0.90 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.36 2hgu n PRO 122 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2hgu n LEU 123 N 0.00 0.00 -2.45 1.53 4.77 -1.26 -3.89 117.00 115.70 2hgu n LEU 123 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 2hgu n LEU 123 Cb 0.00 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2hgu n LEU 123 CO 0.00 0.00 0.08 2.29 -1.33 0.00 0.00 177.39 178.43 2hgu n LYS 124 N 0.00 2.63 -3.54 3.23 2.85 -1.26 -4.61 118.16 117.46 2hgu n LYS 124 Ca 0.00 -3.89 -0.28 0.00 -1.05 0.00 0.00 58.31 53.08 2hgu n LYS 124 Cb 0.00 -1.91 -0.11 0.00 -0.65 0.00 0.00 35.03 32.35 2hgu n LYS 124 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2hgu s VAL 125 N -4.31 0.81 0.00 0.58 1.01 -1.23 -2.36 120.40 114.90 2hgu s VAL 125 Ca 0.40 -2.55 0.00 0.00 0.00 0.00 0.00 61.98 59.83 2hgu s VAL 125 Cb 0.39 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 35.20 2hgu s VAL 125 CO -0.03 -1.06 0.00 0.55 0.00 0.00 0.00 175.10 174.56 2hgu n VAL 126 N 3.24 0.00 0.00 2.92 3.14 -1.25 -4.45 118.33 121.93 2hgu n VAL 126 Ca 0.19 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.57 2hgu n VAL 126 Cb 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.18 2hgu n VAL 126 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2hgu n ALA 127 N 0.00 0.00 0.00 1.55 0.00 -0.20 -4.53 120.51 117.33 2hgu n ALA 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgu n ALA 127 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgu n ALA 127 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2hgu n HIS 128 N 0.00 0.00 -2.09 0.00 1.44 -1.26 -4.68 115.22 108.63 2hgu n HIS 128 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 2hgu n HIS 128 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2hgu n HIS 128 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2hgu n ALA 129 N 0.00 5.07 -4.04 1.59 0.00 -1.15 -4.93 120.51 117.04 2hgu n ALA 129 Ca 0.00 -4.00 -0.33 0.00 0.00 0.00 0.00 53.44 49.11 2hgu n ALA 129 Cb 0.00 -3.39 -0.16 0.00 0.00 0.00 0.00 19.45 15.90 2hgu n ALA 129 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2hgu s PHE 130 N 2.61 2.89 1.28 0.00 2.99 -1.26 0.20 117.98 126.69 2hgu s PHE 130 Ca 0.46 -1.71 -0.16 0.00 0.00 0.00 0.00 56.93 55.52 2hgu s PHE 130 Cb 0.10 -1.94 0.32 0.00 0.00 0.00 0.00 43.02 41.50 2hgu s PHE 130 CO -0.03 -0.80 0.95 -1.13 -0.00 0.00 0.00 175.22 174.21 2hgu n SER 131 N 4.60 -2.56 -0.14 1.36 3.41 -1.26 -4.59 113.62 114.45 2hgu n SER 131 Ca -0.19 -0.40 -0.11 0.00 -0.26 0.00 0.00 58.87 57.91 2hgu n SER 131 Cb 0.48 -1.17 -0.02 0.00 -0.26 0.00 0.00 64.21 63.25 2hgu n SER 131 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2hgu h LYS 132 N -3.01 0.76 -0.53 4.33 1.57 -1.95 0.17 116.57 117.91 2hgu h LYS 132 Ca -0.57 -0.28 0.09 0.00 -1.87 0.00 0.00 60.65 58.01 2hgu h LYS 132 Cb 1.34 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 2hgu h LYS 132 CO 0.43 0.89 0.36 1.03 -0.57 0.00 0.00 179.45 181.58 2hgu h SER 133 N 0.57 0.31 0.00 0.86 0.87 -1.90 -1.15 113.55 113.11 2hgu h SER 133 Ca 0.10 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2hgu h SER 133 Cb 0.60 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2hgu h SER 133 CO 0.04 0.19 0.00 0.00 -0.53 0.00 0.00 176.83 176.53 2hgu n ALA 134 N -2.53 -0.06 -0.22 6.23 0.00 -0.10 -0.93 120.51 122.91 2hgu n ALA 134 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2hgu n ALA 134 Cb 0.35 0.01 0.03 0.00 0.00 0.00 0.00 19.45 19.84 2hgu n ALA 134 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hgu n LEU 135 N -0.69 -0.34 0.40 0.00 4.32 -0.35 -0.85 117.00 119.49 2hgu n LEU 135 Ca 0.00 0.99 -0.19 0.00 -0.02 0.00 0.00 56.01 56.79 2hgu n LEU 135 Cb 0.00 -0.24 -0.09 0.00 -1.62 0.00 0.00 43.42 41.47 2hgu n LEU 135 CO 0.00 -0.90 0.58 -0.33 -1.22 0.00 0.00 177.39 175.53 2hgu h GLU 136 N 0.00 -1.04 0.00 3.23 5.08 -1.19 -1.25 114.58 119.42 2hgu h GLU 136 Ca 0.21 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2hgu h GLU 136 Cb 0.35 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2hgu h GLU 136 CO -0.57 -0.69 0.00 0.87 -1.00 0.00 0.00 179.01 177.62 2hgu h LYS 137 N -1.08 0.00 0.69 2.33 1.79 0.88 -1.16 116.57 120.02 2hgu h LYS 137 Ca -0.09 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.34 2hgu h LYS 137 Cb 0.86 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.52 2hgu h LYS 137 CO 0.11 0.00 -0.33 1.25 -1.08 0.00 0.00 179.45 179.40 2hgu h LEU 138 N 0.00 -0.78 -0.48 2.94 6.46 -0.74 -0.51 115.31 122.19 2hgu h LEU 138 Ca 0.00 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.85 2hgu h LEU 138 Cb 0.36 0.20 -0.09 0.00 -0.73 0.00 0.00 40.66 40.40 2hgu h LEU 138 CO 0.00 -0.40 -0.49 0.11 -0.62 0.00 0.00 178.44 177.04 2hgu h LYS 139 N -1.24 -0.30 0.36 1.25 1.57 -0.56 -1.27 116.57 116.39 2hgu h LYS 139 Ca -0.09 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2hgu h LYS 139 Cb 0.71 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 2hgu h LYS 139 CO 0.16 -0.20 -0.48 0.00 -0.57 0.00 0.00 179.45 178.35 2hgu h ALA 140 N 0.32 -1.08 0.00 3.86 0.00 -1.17 -2.74 119.26 118.44 2hgu h ALA 140 Ca 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2hgu h ALA 140 Cb 0.58 0.76 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2hgu h ALA 140 CO -0.63 -1.14 -0.04 0.00 0.00 0.00 0.00 179.25 177.44 2hgu h ALA 141 N -0.86 1.38 0.00 0.00 0.00 -1.02 -3.46 119.26 115.31 2hgu h ALA 141 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2hgu h ALA 141 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2hgu h ALA 141 CO -0.12 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.58 2hgu n GLY 142 N -1.07 1.02 3.54 0.00 0.00 -0.51 -5.10 105.19 103.07 2hgu n GLY 142 Ca -0.03 -0.76 -0.07 0.00 0.00 0.00 0.00 46.02 45.17 2hgu n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hgu s GLY 143 N 0.00 -0.39 -0.31 -0.02 0.00 -1.00 -4.86 107.32 100.75 2hgu s GLY 143 Ca 0.00 1.28 -0.03 0.00 0.00 0.00 0.00 44.72 45.98 2hgu s GLY 143 CO 0.00 0.43 0.13 -0.54 0.00 0.00 0.00 173.10 173.12 2hgu s GLU 144 N -2.80 0.39 0.51 2.90 2.02 -0.99 -4.45 118.70 116.27 2hgu s GLU 144 Ca 0.07 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.26 2hgu s GLU 144 Cb -0.01 -1.42 0.01 0.00 0.10 0.00 0.00 34.13 32.81 2hgu s GLU 144 CO -0.07 -1.04 0.74 -1.25 0.02 0.00 0.00 175.26 173.66 2hgu s PRO 145 N 1.81 2.82 0.20 0.39 0.04 -1.25 -3.87 135.00 135.14 2hgu s PRO 145 Ca 0.10 -0.57 -0.06 0.00 0.04 0.00 0.00 61.00 60.51 2hgu s PRO 145 Cb -0.17 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 31.84 2hgu s PRO 145 CO -0.29 -0.50 0.25 0.08 0.04 0.00 0.00 177.00 176.58 2hgu s VAL 146 N -2.68 0.03 -0.24 -0.36 1.01 -1.26 -4.63 120.40 112.26 2hgu s VAL 146 Ca 0.53 -1.69 -0.14 0.00 0.00 0.00 0.00 61.98 60.68 2hgu s VAL 146 Cb -0.10 -2.23 0.07 0.00 0.00 0.00 0.00 36.38 34.13 2hgu s VAL 146 CO 0.39 -0.11 0.60 -0.22 0.00 0.00 0.00 175.10 175.75 2hgu s LEU 147 N -3.07 -0.68 0.35 3.92 1.98 -1.26 -1.03 118.68 118.90 2hgu s LEU 147 Ca 0.28 1.31 0.01 0.00 -2.89 0.00 0.00 54.13 52.84 2hgu s LEU 147 Cb 0.04 2.04 -0.00 0.00 0.66 0.00 0.00 46.19 48.93 2hgu s LEU 147 CO 0.08 -0.22 0.44 -0.76 -1.89 0.00 0.00 176.35 173.99 2hgu s LEU 148 N 1.61 1.27 0.00 -0.68 1.43 -1.26 -5.11 118.68 115.94 2hgu s LEU 148 Ca -0.10 -1.61 0.00 0.00 -1.03 0.00 0.00 54.13 51.39 2hgu s LEU 148 Cb -0.06 1.24 0.00 0.00 0.03 0.00 0.00 46.19 47.39 2hgu s LEU 148 CO -0.18 -1.27 0.00 1.21 0.23 0.00 0.00 176.35 176.35 2hgu n GLU 149 N -0.61 0.00 0.00 1.70 0.00 -1.26 -5.10 120.64 115.37 2hgu n GLU 149 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 2hgu n GLU 149 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.05 2hgu n GLU 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13