#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huz s LEU 6 N 0.00 4.12 0.32 -2.67 2.34 -1.26 -4.99 118.68 116.55 3huz s LEU 6 Ca 0.00 0.23 0.06 0.00 0.06 0.00 0.00 54.13 54.48 3huz s LEU 6 Cb 0.00 -2.23 0.89 0.00 -0.56 0.00 0.00 46.19 44.28 3huz s LEU 6 CO 0.00 0.02 1.58 -0.09 -1.06 0.00 0.00 176.35 176.80 3huz h ARG 7 N 7.50 0.03 -1.39 1.48 9.65 -2.10 -0.79 114.38 128.75 3huz h ARG 7 Ca -0.37 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.51 3huz h ARG 7 Cb 1.17 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 3huz h ARG 7 CO 0.67 0.02 0.00 -0.35 2.80 0.00 0.00 179.97 183.11 3huz n PRO 8 N -5.41 0.87 0.05 0.20 -0.04 -1.26 -4.18 135.00 125.23 3huz n PRO 8 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 3huz n PRO 8 Cb 0.87 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 33.27 3huz n PRO 8 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3huz n ASN 9 N 0.87 0.94 0.00 3.54 5.15 -0.30 -4.93 115.26 120.52 3huz n ASN 9 Ca 0.00 0.15 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 3huz n ASN 9 Cb 0.43 -0.26 0.00 0.00 -0.53 0.00 0.00 39.78 39.42 3huz n ASN 9 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3huz n PRO 10 N -3.45 0.00 -2.93 1.20 -0.02 -1.26 -4.82 135.00 123.71 3huz n PRO 10 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3huz n PRO 10 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.52 3huz n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3huz n GLY 11 N -0.38 0.00 1.16 -1.23 0.00 -1.26 -4.30 105.19 99.18 3huz n GLY 11 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3huz n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huz n ALA 12 N 2.29 0.09 -1.11 4.61 0.00 -1.26 -4.75 120.51 120.38 3huz n ALA 12 Ca 0.00 -0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3huz n ALA 12 Cb 0.07 -0.75 0.11 0.00 0.00 0.00 0.00 19.45 18.88 3huz n ALA 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3huz n ASN 13 N 3.04 0.04 0.00 0.00 2.04 -1.26 -4.49 115.26 114.63 3huz n ASN 13 Ca 0.21 0.55 0.00 0.00 -0.44 0.00 0.00 54.58 54.90 3huz n ASN 13 Cb -0.00 -1.39 0.00 0.00 -2.53 0.00 0.00 39.78 35.85 3huz n ASN 13 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 3huz n LYS 14 N -2.39 0.00 -3.58 -3.83 5.02 -1.26 -4.19 118.16 107.93 3huz n LYS 14 Ca 0.12 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.13 3huz n LYS 14 Cb 0.51 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 35.36 3huz n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3huz s ARG 15 N 0.00 0.12 -0.10 1.97 0.52 -1.26 -4.92 118.95 115.28 3huz s ARG 15 Ca 0.00 -0.29 0.10 0.00 -0.52 0.00 0.00 55.73 55.02 3huz s ARG 15 Cb 0.00 -1.52 -0.13 0.00 0.52 0.00 0.00 34.95 33.82 3huz s ARG 15 CO 0.00 -0.83 0.05 2.89 0.02 0.00 0.00 175.30 177.43 3huz n ARG 16 N 5.27 2.16 -3.89 3.54 -4.01 -1.26 -5.03 116.66 113.43 3huz n ARG 16 Ca -0.07 -0.01 -0.32 0.00 -1.04 0.00 0.00 57.85 56.41 3huz n ARG 16 Cb 0.46 -1.27 -0.06 0.00 -3.04 0.00 0.00 32.46 28.55 3huz n ARG 16 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 3huz n LYS 17 N -2.36 -1.06 0.00 2.89 4.81 -1.26 -4.74 118.16 116.44 3huz n LYS 17 Ca -0.16 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 3huz n LYS 17 Cb 0.81 -4.14 0.00 0.00 0.02 0.00 0.00 35.03 31.73 3huz n LYS 17 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3huz n ARG 18 N -3.42 0.00 -2.11 1.64 0.00 -1.26 -4.28 116.66 107.23 3huz n ARG 18 Ca 0.09 0.19 -0.35 0.00 -0.00 0.00 0.00 57.85 57.79 3huz n ARG 18 Cb 0.40 -1.60 -0.04 0.00 0.00 0.00 0.00 32.46 31.22 3huz n ARG 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 3huz s VAL 19 N -2.24 3.44 0.85 5.15 -7.23 -1.26 -4.96 120.40 114.15 3huz s VAL 19 Ca 0.00 -0.04 -0.10 0.00 -1.81 0.00 0.00 61.98 60.03 3huz s VAL 19 Cb 0.00 -4.09 0.15 0.00 0.56 0.00 0.00 36.38 33.00 3huz s VAL 19 CO 0.00 -1.05 1.19 -0.83 -0.31 0.00 0.00 175.10 174.10 3huz s GLY 20 N 7.60 1.75 -0.40 2.32 0.00 -1.26 -5.03 107.32 112.30 3huz s GLY 20 Ca 0.65 -1.26 -0.21 0.00 0.00 0.00 0.00 44.72 43.89 3huz s GLY 20 CO 0.11 -0.62 0.68 0.50 0.00 0.00 0.00 173.10 173.77 3huz s ARG 21 N -5.59 3.53 -0.20 2.90 0.52 -1.26 -5.06 118.95 113.79 3huz s ARG 21 Ca 0.69 -0.06 -0.10 0.00 -0.52 0.00 0.00 55.73 55.74 3huz s ARG 21 Cb -0.06 -3.87 -0.05 0.00 0.52 0.00 0.00 34.95 31.50 3huz s ARG 21 CO 0.49 -0.89 0.12 0.20 0.02 0.00 0.00 175.30 175.24 3huz s GLY 22 N 1.92 2.00 -0.66 -3.53 0.00 -1.26 -5.03 107.32 100.76 3huz s GLY 22 Ca 0.26 -0.74 0.01 0.00 0.00 0.00 0.00 44.72 44.25 3huz s GLY 22 CO 0.18 0.17 1.60 -1.05 0.00 0.00 0.00 173.10 174.00 3huz n PRO 23 N 3.67 3.07 -3.60 2.90 -0.02 -1.26 -4.55 135.00 135.21 3huz n PRO 23 Ca -0.16 -3.98 -0.29 0.00 -2.02 0.00 0.00 63.50 57.05 3huz n PRO 23 Cb 0.52 -2.26 -0.13 0.00 -0.02 0.00 0.00 33.50 31.61 3huz n PRO 23 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3huz s GLY 24 N -2.22 1.13 0.00 -1.23 0.00 -1.25 -4.48 107.32 99.27 3huz s GLY 24 Ca 0.50 -2.00 0.00 0.00 0.00 0.00 0.00 44.72 43.22 3huz s GLY 24 CO -0.31 1.82 0.00 -1.26 0.00 0.00 0.00 173.10 173.35 3huz n SER 25 N 4.13 0.00 -0.33 1.64 2.88 -1.26 -5.06 113.62 115.61 3huz n SER 25 Ca 0.07 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.59 3huz n SER 25 Cb 0.37 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.95 3huz n SER 25 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3huz h GLY 26 N 0.00 1.30 -5.70 0.46 0.00 -1.98 -3.30 103.07 93.85 3huz h GLY 26 Ca 0.00 -0.45 -0.67 0.00 0.00 0.00 0.00 47.33 46.21 3huz h GLY 26 CO 0.00 0.40 -0.82 -1.58 0.00 0.00 0.00 176.54 174.54 3huz s HIS 27 N -6.10 2.72 0.00 5.60 5.65 -1.26 -4.71 115.29 117.20 3huz s HIS 27 Ca -0.13 -1.00 0.00 0.00 0.25 0.00 0.00 55.06 54.18 3huz s HIS 27 Cb 0.17 -1.83 0.00 0.00 -1.18 0.00 0.00 32.58 29.74 3huz s HIS 27 CO 0.80 -0.43 0.00 0.41 -0.65 0.00 0.00 174.74 174.87 3huz n GLY 28 N 3.84 0.22 3.33 1.59 0.00 -1.26 -4.87 105.19 108.04 3huz n GLY 28 Ca -0.19 -1.24 -0.46 0.00 0.00 0.00 0.00 46.02 44.13 3huz n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huz s LYS 29 N 0.00 3.79 0.00 1.61 3.01 -1.26 -5.03 119.74 121.86 3huz s LYS 29 Ca 0.00 -2.71 0.00 0.00 -1.01 0.00 0.00 55.97 52.25 3huz s LYS 29 Cb 0.00 -4.46 0.00 0.00 -1.01 0.00 0.00 37.83 32.36 3huz s LYS 29 CO 0.00 -1.27 0.00 0.25 0.51 0.00 0.00 175.35 174.84 3huz n THR 30 N 3.55 0.00 0.00 2.17 -2.24 -1.24 -3.78 114.28 112.73 3huz n THR 30 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 3huz n THR 30 Cb 0.44 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.50 3huz n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3huz n ALA 31 N -3.00 0.00 0.03 6.98 0.00 -1.26 0.13 120.51 123.39 3huz n ALA 31 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3huz n ALA 31 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 3huz n ALA 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3huz n THR 32 N 0.00 0.66 0.00 0.00 -1.04 -1.26 -4.84 114.28 107.80 3huz n THR 32 Ca 0.00 0.55 0.00 0.00 -2.04 0.00 0.00 64.05 62.56 3huz n THR 32 Cb 0.00 -1.55 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 3huz n THR 32 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3huz n ARG 33 N -1.33 0.00 -1.39 -2.82 3.00 0.34 -4.38 116.66 110.08 3huz n ARG 33 Ca -0.00 0.00 -0.51 0.00 -0.01 0.00 0.00 57.85 57.33 3huz n ARG 33 Cb 0.35 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.71 3huz n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3huz n GLY 34 N -1.18 0.02 0.71 -0.13 0.00 -1.26 -4.29 105.19 99.06 3huz n GLY 34 Ca 0.00 1.03 0.09 0.00 0.00 0.00 0.00 46.02 47.15 3huz n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3huz n HIS 35 N 9.48 -1.83 -2.24 1.61 8.25 -1.26 -5.06 115.22 124.18 3huz n HIS 35 Ca 0.51 0.94 0.00 0.00 -0.26 0.00 0.00 57.72 58.92 3huz n HIS 35 Cb 0.11 -1.66 0.00 0.00 1.12 0.00 0.00 29.99 29.55 3huz n HIS 35 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3huz n LYS 36 N -3.15 0.00 0.00 -0.41 0.00 -1.26 -4.86 118.16 108.48 3huz n LYS 36 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 3huz n LYS 36 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.36 3huz n LYS 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3huz n GLY 37 N 0.00 0.46 0.00 2.58 0.00 -1.26 -4.93 105.19 102.04 3huz n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3huz n GLY 37 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3huz n GLN 38 N 0.00 0.00 -3.62 1.61 3.00 -1.26 -5.14 117.38 111.97 3huz n GLN 38 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 3huz n GLN 38 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.22 3huz n GLN 38 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3huz s LYS 39 N 0.00 0.12 -1.36 -1.09 3.01 -1.26 -4.97 119.74 114.19 3huz s LYS 39 Ca 0.00 -0.05 -0.09 0.00 -1.01 0.00 0.00 55.97 54.82 3huz s LYS 39 Cb 0.00 0.05 0.07 0.00 -1.01 0.00 0.00 37.83 36.94 3huz s LYS 39 CO 0.00 -0.05 0.56 0.43 0.51 0.00 0.00 175.35 176.79 3huz n SER 40 N -0.11 -4.16 -2.78 2.83 7.64 -1.26 -4.77 113.62 111.01 3huz n SER 40 Ca 0.02 -0.43 -0.11 0.00 1.01 0.00 0.00 58.87 59.36 3huz n SER 40 Cb 0.58 -3.41 0.03 0.00 -1.01 0.00 0.00 64.21 60.41 3huz n SER 40 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3huz n ARG 41 N -3.88 1.11 0.01 1.43 5.12 -1.26 -4.63 116.66 114.56 3huz n ARG 41 Ca -0.02 -2.98 -0.01 0.00 -1.93 0.00 0.00 57.85 52.90 3huz n ARG 41 Cb 0.55 -1.14 -0.00 0.00 -1.16 0.00 0.00 32.46 30.70 3huz n ARG 41 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3huz n SER 42 N -0.05 0.65 -2.73 0.55 7.64 -1.26 -4.93 113.62 113.49 3huz n SER 42 Ca 0.10 0.09 -0.02 0.00 1.01 0.00 0.00 58.87 60.06 3huz n SER 42 Cb 0.78 -0.27 0.10 0.00 -1.01 0.00 0.00 64.21 63.81 3huz n SER 42 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3huz n GLY 43 N 3.02 1.91 0.00 0.23 0.00 -1.26 -5.11 105.19 103.98 3huz n GLY 43 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3huz n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huz n GLY 44 N -1.14 3.22 3.74 -0.02 0.00 -1.26 -5.10 105.19 104.64 3huz n GLY 44 Ca -0.08 -1.52 -0.26 0.00 0.00 0.00 0.00 46.02 44.16 3huz n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3huz s LEU 45 N 0.00 3.60 0.00 0.99 0.20 -1.26 -4.84 118.68 117.37 3huz s LEU 45 Ca 0.00 -0.25 0.00 0.00 0.69 0.00 0.00 54.13 54.57 3huz s LEU 45 Cb 0.00 -2.22 0.00 0.00 -0.43 0.00 0.00 46.19 43.54 3huz s LEU 45 CO 0.00 0.07 0.15 1.17 -0.29 0.00 0.00 176.35 177.45 3huz n LYS 46 N -0.31 0.00 0.00 1.98 3.00 -1.26 -4.73 118.16 116.84 3huz n LYS 46 Ca -0.09 0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 3huz n LYS 46 Cb 0.55 -0.44 0.00 0.00 0.00 0.00 0.00 35.03 35.14 3huz n LYS 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3huz n ASP 47 N -0.41 0.00 -0.13 3.14 -0.08 -1.26 -5.07 116.55 112.74 3huz n ASP 47 Ca 0.00 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.01 3huz n ASP 47 Cb 0.00 -0.05 -0.10 0.00 2.34 0.00 0.00 41.12 43.32 3huz n ASP 47 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3huz n PRO 48 N -2.40 0.58 0.00 -0.67 -0.04 -1.26 -5.03 135.00 126.18 3huz n PRO 48 Ca 0.00 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 3huz n PRO 48 Cb 0.00 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 3huz n PRO 48 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3huz n ARG 49 N -4.29 0.00 0.27 0.54 1.74 -1.26 -0.46 116.66 113.19 3huz n ARG 49 Ca -0.48 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.44 3huz n ARG 49 Cb 0.83 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 32.19 3huz n ARG 49 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3huz h ARG 50 N 0.00 -0.65 -7.27 5.56 0.11 -2.00 -3.46 114.38 106.67 3huz h ARG 50 Ca 0.00 0.04 -0.46 0.00 0.10 0.00 0.00 59.98 59.67 3huz h ARG 50 Cb 0.00 0.15 0.08 0.00 1.11 0.00 0.00 29.97 31.30 3huz h ARG 50 CO 0.00 -0.43 0.21 -0.06 0.10 0.00 0.00 179.97 179.79 3huz s PHE 51 N -6.08 2.94 0.00 4.08 0.08 0.39 -4.64 117.98 114.75 3huz s PHE 51 Ca -0.16 0.44 0.00 0.00 0.12 0.00 0.00 56.93 57.32 3huz s PHE 51 Cb 0.05 -3.14 0.00 0.00 -0.57 0.00 0.00 43.02 39.35 3huz s PHE 51 CO 0.63 -1.35 0.00 0.39 -0.10 0.00 0.00 175.22 174.80 3huz n GLU 52 N -2.87 0.00 0.00 0.44 -0.58 -1.26 -4.75 120.64 111.61 3huz n GLU 52 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 3huz n GLU 52 Cb 0.60 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.47 3huz n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3huz n GLY 53 N 1.01 1.32 1.90 0.62 0.00 -1.26 -4.36 105.19 104.42 3huz n GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3huz n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huz n GLY 54 N 0.00 0.69 0.00 -0.02 0.00 -1.26 -4.98 105.19 99.62 3huz n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3huz n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huz n ARG 55 N -2.56 0.00 -2.66 1.61 1.74 -1.26 -4.99 116.66 108.53 3huz n ARG 55 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 3huz n ARG 55 Cb 0.00 -0.19 0.05 0.00 -1.02 0.00 0.00 32.46 31.31 3huz n ARG 55 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3huz n SER 56 N -0.01 -1.25 0.00 0.55 7.64 -1.26 -5.06 113.62 114.24 3huz n SER 56 Ca 0.00 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.69 3huz n SER 56 Cb 0.00 0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 3huz n SER 56 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3huz n THR 57 N 2.08 0.00 0.00 0.44 5.66 -1.26 -3.29 114.28 117.91 3huz n THR 57 Ca 0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 3huz n THR 57 Cb 0.68 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.46 3huz n THR 57 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 3huz n THR 58 N 0.00 0.00 0.00 1.09 -1.04 -1.26 -4.94 114.28 108.13 3huz n THR 58 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3huz n THR 58 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3huz n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3huz n LEU 59 N 0.00 0.00 -0.02 -4.42 7.94 -1.21 -1.88 117.00 117.41 3huz n LEU 59 Ca 0.00 0.03 -0.09 0.00 -1.11 0.00 0.00 56.01 54.84 3huz n LEU 59 Cb 0.00 -0.03 -0.03 0.00 0.53 0.00 0.00 43.42 43.89 3huz n LEU 59 CO 0.00 -0.03 0.83 0.24 -1.11 0.00 0.00 177.39 177.32 3huz h MET 60 N 0.00 -0.02 -6.22 1.96 2.86 -1.93 -3.43 114.93 108.16 3huz h MET 60 Ca 0.00 0.00 -0.70 0.00 -2.06 0.00 0.00 59.70 56.95 3huz h MET 60 Cb 0.07 0.00 0.06 0.00 0.06 0.00 0.00 31.60 31.79 3huz h MET 60 CO 0.00 -0.01 0.28 2.89 1.06 0.00 0.00 176.91 181.13 3huz n ARG 61 N -5.20 0.85 -2.17 1.72 -4.01 -0.79 -4.95 116.66 102.12 3huz n ARG 61 Ca -0.03 0.31 -0.28 0.00 -1.04 0.00 0.00 57.85 56.81 3huz n ARG 61 Cb 0.12 -1.86 0.05 0.00 -3.04 0.00 0.00 32.46 27.74 3huz n ARG 61 CO 0.00 0.00 0.00 -0.48 -3.04 0.00 0.00 177.63 174.11 3huz s LEU 62 N 0.52 2.97 -0.80 2.89 2.34 -1.26 -5.01 118.68 120.33 3huz s LEU 62 Ca 0.82 0.76 -0.00 0.00 0.06 0.00 0.00 54.13 55.76 3huz s LEU 62 Cb -1.00 -3.49 0.36 0.00 -0.56 0.00 0.00 46.19 41.49 3huz s LEU 62 CO 0.51 -1.36 1.80 -0.81 -1.06 0.00 0.00 176.35 175.43 3huz n PRO 63 N -2.85 3.32 0.00 1.48 -0.04 -1.26 -4.70 135.00 130.95 3huz n PRO 63 Ca 0.06 -3.93 0.00 0.00 -0.04 0.00 0.00 63.50 59.60 3huz n PRO 63 Cb 0.59 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 3huz n PRO 63 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3huz n LYS 64 N -0.44 0.00 -2.05 0.54 0.00 -1.26 -3.18 118.16 111.77 3huz n LYS 64 Ca 0.49 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 58.38 3huz n LYS 64 Cb 0.31 -1.41 0.00 0.00 0.00 0.00 0.00 35.03 33.93 3huz n LYS 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3huz n ARG 65 N -0.75 2.99 0.00 1.64 0.63 -1.26 -4.91 116.66 114.99 3huz n ARG 65 Ca 0.00 -2.86 0.00 0.00 -0.92 0.00 0.00 57.85 54.07 3huz n ARG 65 Cb 0.00 -3.36 0.00 0.00 0.45 0.00 0.00 32.46 29.55 3huz n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3huz n GLY 66 N 4.55 -2.03 2.96 5.14 0.00 -1.19 -4.72 105.19 109.90 3huz n GLY 66 Ca 0.51 -1.23 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 3huz n GLY 66 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3huz n MET 67 N 0.00 -0.29 0.00 1.61 0.00 -1.26 -4.94 117.12 112.25 3huz n MET 67 Ca 0.00 0.71 0.00 0.00 -0.00 0.00 0.00 57.70 58.41 3huz n MET 67 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 33.22 32.30 3huz n MET 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3huz n GLN 68 N 1.17 0.14 0.00 2.12 6.02 -1.26 -5.13 117.38 120.44 3huz n GLN 68 Ca -0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 3huz n GLN 68 Cb 0.46 -0.49 0.00 0.00 1.02 0.00 0.00 30.24 31.23 3huz n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3huz n GLY 69 N 0.04 3.72 3.95 1.08 0.00 -1.26 -5.10 105.19 107.63 3huz n GLY 69 Ca 0.00 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 3huz n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3huz s GLN 70 N -3.03 3.45 0.14 1.61 1.11 -1.25 -5.01 119.66 116.67 3huz s GLN 70 Ca 0.00 -0.63 -0.20 0.00 0.01 0.00 0.00 55.36 54.54 3huz s GLN 70 Cb 0.00 -2.89 0.01 0.00 -1.01 0.00 0.00 33.01 29.12 3huz s GLN 70 CO 0.00 0.43 1.68 -0.24 0.01 0.00 0.00 175.29 177.17 3huz h VAL 71 N 1.31 0.68 -1.47 1.09 3.04 -2.03 -0.68 116.25 118.18 3huz h VAL 71 Ca -0.50 0.00 0.43 0.00 -1.01 0.00 0.00 66.70 65.62 3huz h VAL 71 Cb 1.21 0.68 -0.07 0.00 -2.01 0.00 0.00 31.29 31.10 3huz h VAL 71 CO 0.64 0.00 1.04 -0.65 -1.01 0.00 0.00 177.57 177.59 3huz h PRO 72 N -0.07 0.03 0.00 4.17 0.11 -2.06 -3.46 132.00 130.72 3huz h PRO 72 Ca 0.12 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3huz h PRO 72 Cb 0.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.35 3huz h PRO 72 CO -0.27 0.02 0.00 0.41 -0.21 0.00 0.00 178.00 177.95 3huz n GLY 73 N -1.78 0.11 3.91 -0.55 0.00 -0.26 -5.05 105.19 101.56 3huz n GLY 73 Ca 0.33 -1.74 -0.21 0.00 0.00 0.00 0.00 46.02 44.40 3huz n GLY 73 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3huz s GLU 74 N -0.40 3.00 -0.18 1.61 -1.05 -1.26 -3.87 118.70 116.55 3huz s GLU 74 Ca 0.00 -1.07 -0.11 0.00 -0.15 0.00 0.00 54.97 53.64 3huz s GLU 74 Cb 0.00 -2.66 -0.05 0.00 -0.44 0.00 0.00 34.13 30.98 3huz s GLU 74 CO 0.00 0.21 0.18 0.42 0.95 0.00 0.00 175.26 177.02 3huz s ILE 75 N -2.18 5.38 -0.86 1.83 1.09 -1.26 -5.02 121.20 120.19 3huz s ILE 75 Ca 0.39 0.30 -0.25 0.00 -1.10 0.00 0.00 60.65 59.99 3huz s ILE 75 Cb -0.08 -3.52 -0.02 0.00 -1.06 0.00 0.00 42.46 37.79 3huz s ILE 75 CO 0.28 0.43 1.80 -0.75 -0.10 0.00 0.00 174.94 176.60 3huz s LYS 76 N 0.32 2.79 0.20 2.79 2.20 -1.26 -4.94 119.74 121.84 3huz s LYS 76 Ca 0.11 -0.26 0.10 0.00 -0.36 0.00 0.00 55.97 55.56 3huz s LYS 76 Cb -0.12 -4.93 -0.04 0.00 -1.51 0.00 0.00 37.83 31.23 3huz s LYS 76 CO 0.00 -2.97 -0.17 -0.98 -0.36 0.00 0.00 175.35 170.87 3huz s ARG 77 N 6.58 1.79 -0.23 4.03 1.70 -1.26 -5.11 118.95 126.45 3huz s ARG 77 Ca 0.63 -1.43 -0.28 0.00 -0.47 0.00 0.00 55.73 54.17 3huz s ARG 77 Cb -0.07 -1.98 0.01 0.00 -0.57 0.00 0.00 34.95 32.34 3huz s ARG 77 CO 0.03 0.41 1.00 -1.25 -1.08 0.00 0.00 175.30 174.41 3huz s PRO 78 N -2.85 4.25 0.29 3.89 0.04 -1.26 -5.05 135.00 134.31 3huz s PRO 78 Ca 0.24 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.56 3huz s PRO 78 Cb -0.08 -3.64 -0.04 0.00 0.04 0.00 0.00 34.50 30.78 3huz s PRO 78 CO 0.13 -0.61 0.49 -0.98 0.04 0.00 0.00 177.00 176.08 3huz s ARG 79 N 3.13 3.52 0.12 4.56 1.70 -1.26 -5.06 118.95 125.66 3huz s ARG 79 Ca 0.42 -0.30 0.08 0.00 -0.47 0.00 0.00 55.73 55.47 3huz s ARG 79 Cb -0.15 -2.72 -0.04 0.00 -0.57 0.00 0.00 34.95 31.47 3huz s ARG 79 CO 0.06 0.25 -0.11 0.71 -1.08 0.00 0.00 175.30 175.13 3huz s TYR 80 N -2.13 2.68 0.08 5.89 2.02 -1.26 -4.10 117.35 120.54 3huz s TYR 80 Ca 0.40 -0.19 0.10 0.00 -0.37 0.00 0.00 57.07 57.01 3huz s TYR 80 Cb -0.10 -1.38 -0.03 0.00 -0.40 0.00 0.00 41.96 40.04 3huz s TYR 80 CO 0.32 0.44 -0.26 -1.14 -1.57 0.00 0.00 175.55 173.35 3huz s GLN 81 N -2.34 1.55 0.09 -0.62 0.74 -0.64 -4.94 119.66 113.49 3huz s GLN 81 Ca 0.22 -1.18 -0.01 0.00 0.05 0.00 0.00 55.36 54.43 3huz s GLN 81 Cb -0.10 -1.85 0.02 0.00 1.10 0.00 0.00 33.01 32.18 3huz s GLN 81 CO 0.13 0.46 0.07 0.41 -0.55 0.00 0.00 175.29 175.81 3huz n GLY 82 N 1.41 -2.73 0.00 2.59 0.00 -1.26 -1.36 105.19 103.83 3huz n GLY 82 Ca -0.18 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3huz n GLY 82 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3huz n VAL 83 N -2.77 0.00 -1.62 1.61 3.14 -1.25 -4.67 118.33 112.77 3huz n VAL 83 Ca 0.01 0.00 -0.50 0.00 -2.96 0.00 0.00 64.34 60.89 3huz n VAL 83 Cb 0.04 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.77 3huz n VAL 83 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3huz n ASN 84 N 0.00 2.24 0.24 6.55 5.03 -1.26 -3.57 115.26 124.49 3huz n ASN 84 Ca 0.00 1.10 0.09 0.00 0.87 0.00 0.00 54.58 56.64 3huz n ASN 84 Cb 0.00 -1.29 0.31 0.00 -1.02 0.00 0.00 39.78 37.78 3huz n ASN 84 CO 0.00 0.00 0.00 0.17 -1.83 0.00 0.00 177.26 175.60 3huz h LEU 85 N 5.13 0.00 -0.05 3.41 -0.00 -1.60 0.76 115.31 122.96 3huz h LEU 85 Ca -0.47 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.45 3huz h LEU 85 Cb 1.30 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.92 3huz h LEU 85 CO 0.82 0.00 -0.21 0.50 -0.00 0.00 0.00 178.44 179.55 3huz h LYS 86 N 0.00 -0.30 0.00 0.17 3.64 -1.51 0.21 116.57 118.78 3huz h LYS 86 Ca 0.08 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3huz h LYS 86 Cb 1.74 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.63 3huz h LYS 86 CO -0.00 -0.20 0.00 -0.25 -2.27 0.00 0.00 179.45 176.73 3huz n ASP 87 N -5.34 0.00 -0.07 4.20 8.00 0.26 -1.18 116.55 122.43 3huz n ASP 87 Ca -0.04 -0.43 -0.05 0.00 0.71 0.00 0.00 54.79 54.99 3huz n ASP 87 Cb 0.25 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.22 3huz n ASP 87 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3huz n LEU 88 N -0.94 0.00 -0.03 0.64 4.32 0.58 -4.34 117.00 117.24 3huz n LEU 88 Ca 0.08 0.00 0.23 0.00 -0.02 0.00 0.00 56.01 56.30 3huz n LEU 88 Cb 0.04 0.33 0.72 0.00 -1.62 0.00 0.00 43.42 42.89 3huz n LEU 88 CO 0.06 0.33 1.21 0.00 -1.22 0.00 0.00 177.39 177.77 3huz h ALA 89 N 1.02 2.46 -1.77 -1.18 0.00 0.41 -2.03 119.26 118.17 3huz h ALA 89 Ca -0.36 -0.02 0.52 0.00 0.00 0.00 0.00 54.91 55.04 3huz h ALA 89 Cb 1.79 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.55 3huz h ALA 89 CO 0.02 -0.85 1.28 -0.09 0.00 0.00 0.00 179.25 179.61 3huz h ARG 90 N 0.00 0.00 0.00 0.00 2.43 -1.76 -3.43 114.38 111.63 3huz h ARG 90 Ca 0.29 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3huz h ARG 90 Cb 1.35 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3huz h ARG 90 CO -0.00 0.00 0.00 1.97 -1.51 0.00 0.00 179.97 180.43 3huz n PHE 91 N -4.01 0.00 -3.55 2.20 -1.74 -0.77 -5.19 117.46 104.40 3huz n PHE 91 Ca 0.40 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 57.21 3huz n PHE 91 Cb 1.82 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 42.79 3huz n PHE 91 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 3huz s GLU 92 N 1.53 0.61 0.00 3.97 2.12 -1.26 -5.05 118.70 120.62 3huz s GLU 92 Ca 0.00 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.19 3huz s GLU 92 Cb 0.00 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.67 3huz s GLU 92 CO 0.00 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 3huz n GLY 93 N 0.04 1.20 2.36 -1.50 0.00 -1.26 -4.89 105.19 101.13 3huz n GLY 93 Ca -0.06 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 3huz n GLY 93 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3huz n GLU 94 N 0.00 0.31 -2.22 1.61 2.13 -1.25 -2.41 120.64 118.81 3huz n GLU 94 Ca 0.00 -3.14 -0.42 0.00 0.66 0.00 0.00 57.16 54.26 3huz n GLU 94 Cb 0.00 -1.56 -0.03 0.00 0.27 0.00 0.00 31.44 30.12 3huz n GLU 94 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3huz s VAL 95 N -0.19 3.53 0.04 6.31 -7.23 -0.30 -4.94 120.40 117.62 3huz s VAL 95 Ca 0.33 1.06 -0.23 0.00 -1.81 0.00 0.00 61.98 61.33 3huz s VAL 95 Cb 0.07 -3.68 0.05 0.00 0.56 0.00 0.00 36.38 33.38 3huz s VAL 95 CO -0.18 0.06 0.53 0.42 -0.31 0.00 0.00 175.10 175.62 3huz s THR 96 N 1.47 0.03 0.52 5.32 -4.23 -1.26 -1.84 115.64 115.65 3huz s THR 96 Ca 0.64 -0.22 -0.22 0.00 -1.18 0.00 0.00 61.69 60.70 3huz s THR 96 Cb -0.34 -0.96 -0.05 0.00 1.34 0.00 0.00 72.50 72.48 3huz s THR 96 CO 0.29 -0.12 1.32 -2.84 -0.54 0.00 0.00 174.62 172.73 3huz s PRO 97 N -2.30 3.29 0.00 3.99 0.02 -1.26 -0.02 135.00 138.72 3huz s PRO 97 Ca -0.06 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.11 3huz s PRO 97 Cb -0.01 -2.31 0.00 0.00 0.02 0.00 0.00 34.50 32.20 3huz s PRO 97 CO -0.01 -1.04 0.00 -0.85 -0.33 0.00 0.00 177.00 174.77 3huz n GLU 98 N -0.88 0.00 -0.03 5.54 0.28 -1.26 -4.59 120.64 119.70 3huz n GLU 98 Ca 0.09 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.06 3huz n GLU 98 Cb 0.45 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.29 3huz n GLU 98 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3huz n LEU 99 N 0.00 1.70 -0.02 -1.84 0.00 -1.00 -3.50 117.00 112.32 3huz n LEU 99 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 56.01 56.03 3huz n LEU 99 Cb 0.00 -0.08 0.41 0.00 0.00 0.00 0.00 43.42 43.75 3huz n LEU 99 CO 0.00 0.41 1.17 0.25 0.00 0.00 0.00 177.39 179.22 3huz h LEU 100 N 0.00 0.50 0.11 -1.96 7.12 -0.69 -1.30 115.31 119.10 3huz h LEU 100 Ca -0.15 -0.01 -0.25 0.00 0.13 0.00 0.00 57.88 57.60 3huz h LEU 100 Cb 1.29 -0.12 0.03 0.00 -0.53 0.00 0.00 40.66 41.32 3huz h LEU 100 CO -0.01 0.36 -1.03 -0.37 -0.13 0.00 0.00 178.44 177.26 3huz h VAL 101 N 0.59 1.37 0.00 1.05 -1.51 -1.75 -3.15 116.25 112.85 3huz h VAL 101 Ca 0.17 -2.42 0.00 0.00 -1.23 0.00 0.00 66.70 63.22 3huz h VAL 101 Cb -0.03 2.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.97 3huz h VAL 101 CO -0.04 0.72 0.00 -1.14 -1.23 0.00 0.00 177.57 175.88 3huz n ARG 102 N -3.96 0.02 -2.67 5.19 0.63 -0.55 -4.39 116.66 110.94 3huz n ARG 102 Ca -0.13 0.19 -0.16 0.00 -0.92 0.00 0.00 57.85 56.83 3huz n ARG 102 Cb 0.89 -1.50 0.03 0.00 0.45 0.00 0.00 32.46 32.34 3huz n ARG 102 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3huz n ALA 103 N -1.20 0.79 1.53 5.13 0.00 -0.86 -4.99 120.51 120.92 3huz n ALA 103 Ca 0.01 -1.53 0.02 0.00 0.00 0.00 0.00 53.44 51.93 3huz n ALA 103 Cb 0.01 0.49 0.10 0.00 0.00 0.00 0.00 19.45 20.05 3huz n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huz n GLY 104 N 0.03 -0.77 3.28 0.00 0.00 -1.26 -4.78 105.19 101.70 3huz n GLY 104 Ca 0.07 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3huz n GLY 104 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3huz s LEU 105 N -1.14 2.10 0.00 0.99 2.34 -1.25 -4.99 118.68 116.73 3huz s LEU 105 Ca 0.05 -0.48 0.00 0.00 0.06 0.00 0.00 54.13 53.76 3huz s LEU 105 Cb 0.02 -1.18 0.00 0.00 -0.56 0.00 0.00 46.19 44.47 3huz s LEU 105 CO 0.04 0.26 0.00 -0.11 -1.06 0.00 0.00 176.35 175.48 3huz n LEU 106 N 2.19 0.00 -2.11 1.48 7.94 -1.26 -3.29 117.00 121.95 3huz n LEU 106 Ca -0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 3huz n LEU 106 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 3huz n LEU 106 CO 0.23 0.00 -0.49 2.29 -1.11 0.00 0.00 177.39 178.31 3huz n LYS 107 N 0.00 -5.76 0.00 1.96 2.85 -1.26 -4.27 118.16 111.68 3huz n LYS 107 Ca 0.00 4.07 0.00 0.00 -1.05 0.00 0.00 58.31 61.33 3huz n LYS 107 Cb 0.00 -4.41 0.00 0.00 -0.65 0.00 0.00 35.03 29.97 3huz n LYS 107 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3huz n LYS 108 N 1.83 0.00 0.00 -1.58 4.01 -1.26 -4.48 118.16 116.68 3huz n LYS 108 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3huz n LYS 108 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3huz n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3huz n GLY 109 N 0.00 -0.29 1.63 0.72 0.00 -1.26 -4.92 105.19 101.07 3huz n GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3huz n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3huz n TYR 110 N -1.29 -4.49 -2.29 1.61 9.36 -1.26 -4.70 117.16 114.10 3huz n TYR 110 Ca 0.00 2.41 -0.00 0.00 3.32 0.00 0.00 57.90 63.63 3huz n TYR 110 Cb 0.00 -3.64 -0.00 0.00 -0.63 0.00 0.00 39.34 35.07 3huz n TYR 110 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3huz n ARG 111 N -1.63 -3.13 -3.40 2.98 1.74 -1.26 -4.08 116.66 107.89 3huz n ARG 111 Ca 0.00 2.29 -0.39 0.00 -0.77 0.00 0.00 57.85 58.98 3huz n ARG 111 Cb 0.21 -3.06 -0.08 0.00 -1.02 0.00 0.00 32.46 28.50 3huz n ARG 111 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3huz s LEU 112 N -0.36 4.09 -0.34 0.55 1.98 -1.26 -1.62 118.68 121.71 3huz s LEU 112 Ca -0.02 0.37 0.00 0.00 -2.89 0.00 0.00 54.13 51.60 3huz s LEU 112 Cb 0.00 -2.45 0.09 0.00 0.66 0.00 0.00 46.19 44.49 3huz s LEU 112 CO 0.06 -0.14 0.07 -0.75 -1.89 0.00 0.00 176.35 173.70 3huz s LYS 113 N 1.75 1.95 0.27 1.98 2.20 -0.47 -1.56 119.74 125.87 3huz s LYS 113 Ca 0.16 -1.66 -0.29 0.00 -0.36 0.00 0.00 55.97 53.82 3huz s LYS 113 Cb -0.15 -3.29 -0.09 0.00 -1.51 0.00 0.00 37.83 32.78 3huz s LYS 113 CO 0.09 -0.87 1.14 -1.50 -0.36 0.00 0.00 175.35 173.85 3huz s ILE 114 N 1.08 3.41 0.00 5.43 1.10 -0.58 -3.78 121.20 127.87 3huz s ILE 114 Ca 0.04 1.37 0.00 0.00 -0.51 0.00 0.00 60.65 61.55 3huz s ILE 114 Cb -0.21 -3.87 0.00 0.00 0.15 0.00 0.00 42.46 38.53 3huz s ILE 114 CO -0.05 0.31 0.00 0.00 -2.11 0.00 0.00 174.94 173.09 3huz n LEU 115 N 1.39 0.00 0.00 8.50 -0.00 -1.23 -2.71 117.00 122.95 3huz n LEU 115 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3huz n LEU 115 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 3huz n LEU 115 CO 0.55 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.55 3huz n GLY 116 N 0.00 0.50 4.04 1.47 0.00 -1.26 -2.39 105.19 107.54 3huz n GLY 116 Ca 0.00 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 3huz n GLY 116 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3huz s GLU 117 N 0.00 2.22 0.00 1.61 4.04 -1.26 -4.30 118.70 121.00 3huz s GLU 117 Ca 0.00 -1.69 0.00 0.00 0.04 0.00 0.00 54.97 53.32 3huz s GLU 117 Cb 0.00 -2.63 0.00 0.00 0.02 0.00 0.00 34.13 31.52 3huz s GLU 117 CO 0.00 -0.96 0.00 0.41 -1.84 0.00 0.00 175.26 172.87 3huz n GLY 118 N -2.31 0.58 0.00 -3.83 0.00 -1.26 -2.14 105.19 96.23 3huz n GLY 118 Ca 0.17 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3huz n GLY 118 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3huz n GLU 119 N 0.00 0.00 -1.80 1.61 -0.58 -1.26 -3.73 120.64 114.88 3huz n GLU 119 Ca 0.00 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.38 3huz n GLU 119 Cb 0.00 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 30.93 3huz n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3huz s ALA 120 N 0.00 2.40 -0.24 0.62 0.00 -1.26 -4.88 121.76 118.40 3huz s ALA 120 Ca 0.00 1.03 0.02 0.00 0.00 0.00 0.00 51.96 53.01 3huz s ALA 120 Cb 0.00 -3.48 0.06 0.00 0.00 0.00 0.00 23.12 19.69 3huz s ALA 120 CO 0.00 -1.45 -0.09 0.15 0.00 0.00 0.00 175.76 174.37 3huz s LYS 121 N -3.49 2.03 -0.36 0.00 1.02 -1.26 -4.98 119.74 112.70 3huz s LYS 121 Ca 0.78 -1.12 -0.03 0.00 0.02 0.00 0.00 55.97 55.62 3huz s LYS 121 Cb -0.32 -2.69 -0.12 0.00 -0.52 0.00 0.00 37.83 34.17 3huz s LYS 121 CO 0.38 -0.54 1.11 -2.30 -0.92 0.00 0.00 175.35 173.08 3huz n PRO 122 N 4.56 0.00 -4.16 -1.68 -0.02 -1.18 -4.83 135.00 127.69 3huz n PRO 122 Ca -0.14 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.23 3huz n PRO 122 Cb 0.44 -0.70 -0.09 0.00 -0.02 0.00 0.00 33.50 33.12 3huz n PRO 122 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3huz s LEU 123 N 0.00 1.22 -0.60 2.45 0.05 -1.26 -4.84 118.68 115.70 3huz s LEU 123 Ca 0.47 -1.27 -0.23 0.00 0.05 0.00 0.00 54.13 53.15 3huz s LEU 123 Cb -0.31 0.53 0.06 0.00 -2.05 0.00 0.00 46.19 44.42 3huz s LEU 123 CO 0.21 -0.84 0.93 -0.75 -0.55 0.00 0.00 176.35 175.34 3huz s LYS 124 N -4.11 3.21 -0.29 1.48 2.20 -1.01 -2.89 119.74 118.33 3huz s LYS 124 Ca 0.33 -0.58 -0.01 0.00 -0.36 0.00 0.00 55.97 55.35 3huz s LYS 124 Cb 0.06 -4.14 0.05 0.00 -1.51 0.00 0.00 37.83 32.29 3huz s LYS 124 CO 0.09 -1.62 -0.02 0.54 -0.36 0.00 0.00 175.35 173.97 3huz s VAL 125 N 3.91 2.87 0.50 4.02 0.11 -1.14 -1.14 120.40 129.52 3huz s VAL 125 Ca 0.25 -1.38 -0.06 0.00 -2.93 0.00 0.00 61.98 57.86 3huz s VAL 125 Cb -0.15 -2.64 -0.04 0.00 -1.53 0.00 0.00 36.38 32.03 3huz s VAL 125 CO 0.14 -0.07 0.82 -0.69 -3.33 0.00 0.00 175.10 171.98 3huz s VAL 126 N 1.24 4.88 0.03 2.04 1.01 -0.77 -3.59 120.40 125.24 3huz s VAL 126 Ca -0.05 0.30 -0.22 0.00 0.00 0.00 0.00 61.98 62.01 3huz s VAL 126 Cb -0.19 -3.86 0.07 0.00 0.00 0.00 0.00 36.38 32.39 3huz s VAL 126 CO -0.02 -0.89 1.01 0.00 0.00 0.00 0.00 175.10 175.21 3huz n ALA 127 N -2.32 -2.81 0.10 5.51 0.00 -0.86 -4.62 120.51 115.51 3huz n ALA 127 Ca 0.01 -0.72 0.05 0.00 0.00 0.00 0.00 53.44 52.79 3huz n ALA 127 Cb 0.55 0.22 -0.08 0.00 0.00 0.00 0.00 19.45 20.14 3huz n ALA 127 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3huz n HIS 128 N -0.73 0.00 -3.63 0.00 8.25 -0.60 -4.27 115.22 114.25 3huz n HIS 128 Ca 0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.33 3huz n HIS 128 Cb 0.48 -0.19 -0.07 0.00 1.12 0.00 0.00 29.99 31.33 3huz n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3huz s ALA 129 N -2.59 -1.29 0.01 -1.41 0.00 -0.93 -4.71 121.76 110.83 3huz s ALA 129 Ca -0.02 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.72 3huz s ALA 129 Cb 0.07 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 3huz s ALA 129 CO 0.45 -0.36 -0.02 -0.06 0.00 0.00 0.00 175.76 175.77 3huz s PHE 130 N -1.52 0.19 0.40 0.00 0.08 -1.26 -1.52 117.98 114.35 3huz s PHE 130 Ca -0.11 -0.26 -0.02 0.00 0.12 0.00 0.00 56.93 56.66 3huz s PHE 130 Cb -0.02 -0.13 -0.04 0.00 -0.57 0.00 0.00 43.02 42.27 3huz s PHE 130 CO 0.05 -0.08 0.65 -1.54 -0.10 0.00 0.00 175.22 174.20 3huz s SER 131 N -0.71 6.30 0.35 1.36 1.04 -1.10 -4.90 113.70 116.03 3huz s SER 131 Ca -0.07 0.68 0.17 0.00 0.48 0.00 0.00 55.95 57.21 3huz s SER 131 Cb -0.05 -2.13 1.20 0.00 0.10 0.00 0.00 66.02 65.14 3huz s SER 131 CO -0.00 -0.41 1.60 0.11 0.98 0.00 0.00 173.24 175.52 3huz h LYS 132 N 0.60 0.07 0.00 4.02 1.79 -2.01 -2.71 116.57 118.34 3huz h LYS 132 Ca -0.48 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 3huz h LYS 132 Cb 1.21 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 3huz h LYS 132 CO 0.62 0.05 0.00 0.45 -1.08 0.00 0.00 179.45 179.49 3huz n SER 133 N -5.24 0.00 0.00 0.86 2.88 -1.26 -4.15 113.62 106.71 3huz n SER 133 Ca 0.34 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 3huz n SER 133 Cb 1.14 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.60 3huz n SER 133 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3huz n ALA 134 N -3.00 0.00 -0.30 -1.46 0.00 -1.24 0.43 120.51 114.94 3huz n ALA 134 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3huz n ALA 134 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.74 3huz n ALA 134 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3huz h LEU 135 N 0.00 -0.13 0.43 0.00 7.12 -1.69 0.27 115.31 121.31 3huz h LEU 135 Ca 0.00 0.22 -0.02 0.00 0.13 0.00 0.00 57.88 58.21 3huz h LEU 135 Cb 0.00 0.32 0.00 0.00 -0.53 0.00 0.00 40.66 40.46 3huz h LEU 135 CO 0.00 -0.22 -0.20 -0.33 -0.13 0.00 0.00 178.44 177.56 3huz h GLU 136 N 0.14 -0.55 -0.22 1.25 4.39 0.86 0.47 114.58 120.92 3huz h GLU 136 Ca 0.56 0.04 0.06 0.00 0.34 0.00 0.00 59.36 60.36 3huz h GLU 136 Cb 1.15 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 3huz h GLU 136 CO -0.72 -0.37 0.67 0.87 -1.16 0.00 0.00 179.01 178.30 3huz h LYS 137 N -0.67 0.00 0.11 2.33 1.57 -1.35 1.09 116.57 119.66 3huz h LYS 137 Ca -0.06 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.36 3huz h LYS 137 Cb 0.44 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3huz h LYS 137 CO 0.10 0.00 -1.98 -0.11 -0.57 0.00 0.00 179.45 176.89 3huz n LEU 138 N -2.97 2.60 -0.20 2.94 7.94 0.82 -3.89 117.00 124.24 3huz n LEU 138 Ca 0.04 0.21 0.30 0.00 -1.11 0.00 0.00 56.01 55.45 3huz n LEU 138 Cb 0.76 -1.10 0.67 0.00 0.53 0.00 0.00 43.42 44.28 3huz n LEU 138 CO 0.13 0.82 1.28 0.50 -1.11 0.00 0.00 177.39 179.01 3huz h LYS 139 N -0.02 0.00 -4.03 1.96 3.64 0.61 -2.07 116.57 116.67 3huz h LYS 139 Ca -0.43 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.26 3huz h LYS 139 Cb 1.97 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.77 3huz h LYS 139 CO 0.05 0.00 3.00 0.00 -2.27 0.00 0.00 179.45 180.23 3huz n ALA 140 N -2.50 5.18 -2.07 5.00 0.00 -0.79 -4.57 120.51 120.76 3huz n ALA 140 Ca 0.21 -3.70 -0.01 0.00 0.00 0.00 0.00 53.44 49.93 3huz n ALA 140 Cb 1.21 -3.54 -0.01 0.00 0.00 0.00 0.00 19.45 17.11 3huz n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3huz n ALA 141 N 6.20 -2.67 -2.00 0.00 0.00 -0.82 -4.69 120.51 116.53 3huz n ALA 141 Ca 0.53 0.80 0.00 0.00 0.00 0.00 0.00 53.44 54.77 3huz n ALA 141 Cb 0.38 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.01 3huz n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huz n GLY 142 N 1.29 0.27 0.00 0.00 0.00 -0.97 -3.11 105.19 102.67 3huz n GLY 142 Ca -0.10 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3huz n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huz n GLY 143 N 0.00 -0.22 3.04 -0.02 0.00 -1.14 -4.35 105.19 102.49 3huz n GLY 143 Ca 0.00 0.76 -0.41 0.00 0.00 0.00 0.00 46.02 46.37 3huz n GLY 143 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3huz n GLU 144 N 0.00 3.77 -2.86 1.61 0.00 -1.26 -2.89 120.64 119.01 3huz n GLU 144 Ca 0.00 -4.54 -0.43 0.00 0.00 0.00 0.00 57.16 52.19 3huz n GLU 144 Cb 0.00 -2.48 -0.04 0.00 0.00 0.00 0.00 31.44 28.93 3huz n GLU 144 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.13 174.99 3huz s PRO 145 N -2.19 3.20 0.00 5.31 0.02 -1.24 -4.94 135.00 135.16 3huz s PRO 145 Ca 0.32 -0.98 0.00 0.00 0.02 0.00 0.00 61.00 60.35 3huz s PRO 145 Cb 0.01 -4.37 0.00 0.00 0.02 0.00 0.00 34.50 30.16 3huz s PRO 145 CO 0.01 -1.83 0.00 1.55 -0.33 0.00 0.00 177.00 176.41 3huz n VAL 146 N 5.89 0.00 0.00 3.83 3.14 -1.26 -2.03 118.33 127.89 3huz n VAL 146 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 3huz n VAL 146 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 3huz n VAL 146 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3huz n LEU 147 N 0.00 0.00 0.00 6.55 7.94 -1.26 -4.58 117.00 125.65 3huz n LEU 147 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3huz n LEU 147 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3huz n LEU 147 CO 0.00 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.46 3huz n LEU 148 N 0.00 0.00 0.00 -1.96 4.77 -1.26 -4.54 117.00 114.01 3huz n LEU 148 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3huz n LEU 148 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3huz n LEU 148 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.44 3huz n GLU 149 N -1.31 0.00 0.00 3.23 -0.58 -1.26 -5.11 120.64 115.61 3huz n GLU 149 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3huz n GLU 149 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3huz n GLU 149 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65