#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf9 s LYS 28 N 0.00 3.19 0.42 0.00 -0.14 -1.26 -1.69 119.74 120.26 3hf9 s LYS 28 Ca 0.00 1.89 -0.11 0.00 -1.36 0.00 0.00 55.97 56.39 3hf9 s LYS 28 Cb 0.00 -2.10 -0.06 0.00 -1.68 0.00 0.00 37.83 33.98 3hf9 s LYS 28 CO 0.00 -1.05 0.79 -1.12 -0.76 0.00 0.00 175.35 173.21 3hf9 s SER 29 N -1.42 6.53 0.01 2.83 0.01 -1.26 -4.29 113.70 116.11 3hf9 s SER 29 Ca 0.73 1.17 0.00 0.00 1.31 0.00 0.00 55.95 59.17 3hf9 s SER 29 Cb -0.32 -2.34 -0.01 0.00 0.21 0.00 0.00 66.02 63.56 3hf9 s SER 29 CO 0.36 -0.42 -0.03 -0.69 0.41 0.00 0.00 173.24 172.87 3hf9 s VAL 30 N -2.40 0.16 -0.01 3.43 1.01 0.20 -2.34 120.40 120.45 3hf9 s VAL 30 Ca 0.52 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.02 3hf9 s VAL 30 Cb -0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 36.38 36.06 3hf9 s VAL 30 CO 0.31 -0.22 -0.06 -0.69 0.00 0.00 0.00 175.10 174.44 3hf9 s VAL 31 N -0.73 0.52 -0.07 2.92 1.01 0.28 -1.34 120.40 122.99 3hf9 s VAL 31 Ca -0.07 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3hf9 s VAL 31 Cb -0.05 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.90 3hf9 s VAL 31 CO -0.00 0.15 -0.07 0.00 0.00 0.00 0.00 175.10 175.18 3hf9 s ALA 32 N -0.06 1.00 -0.01 5.51 0.00 -0.50 -0.41 121.76 127.29 3hf9 s ALA 32 Ca 0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 3hf9 s ALA 32 Cb -0.04 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.49 3hf9 s ALA 32 CO -0.00 -0.08 0.06 -0.48 0.00 0.00 0.00 175.76 175.26 3hf9 s LEU 33 N 1.07 1.81 0.29 0.00 2.34 -0.52 -0.08 118.68 123.59 3hf9 s LEU 33 Ca -0.08 -0.06 -0.29 0.00 0.06 0.00 0.00 54.13 53.76 3hf9 s LEU 33 Cb -0.14 0.29 -0.09 0.00 -0.56 0.00 0.00 46.19 45.68 3hf9 s LEU 33 CO -0.01 -0.15 1.10 0.00 -1.06 0.00 0.00 176.35 176.24 3hf9 s ALA 34 N -0.55 3.38 0.23 1.48 0.00 0.10 -1.39 121.76 125.00 3hf9 s ALA 34 Ca -0.06 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.79 3hf9 s ALA 34 Cb -0.04 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 3hf9 s ALA 34 CO 0.00 -0.18 0.15 1.52 0.00 0.00 0.00 175.76 177.24 3hf9 s TYR 35 N -1.21 1.29 0.29 0.00 -0.85 0.19 -4.63 117.35 112.44 3hf9 s TYR 35 Ca 0.46 -1.40 -0.02 0.00 -0.52 0.00 0.00 57.07 55.60 3hf9 s TYR 35 Cb -0.31 -0.63 0.45 0.00 0.38 0.00 0.00 41.96 41.85 3hf9 s TYR 35 CO 0.40 -0.63 1.93 0.00 -1.52 0.00 0.00 175.55 175.73 3hf9 h ALA 36 N 2.52 1.43 -0.01 9.51 0.00 -1.50 -2.37 119.26 128.85 3hf9 h ALA 36 Ca -0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hf9 h ALA 36 Cb 1.25 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3hf9 h ALA 36 CO 0.52 0.47 -0.13 0.41 0.00 0.00 0.00 179.25 180.52 3hf9 n GLY 37 N -1.39 -0.71 0.00 0.00 0.00 -1.26 -4.99 105.19 96.83 3hf9 n GLY 37 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3hf9 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hf9 n GLY 38 N 1.27 0.38 3.52 -0.02 0.00 -0.89 -1.97 105.19 107.48 3hf9 n GLY 38 Ca 0.15 -1.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 3hf9 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hf9 s VAL 39 N -4.00 3.81 -0.15 1.61 1.01 -0.80 0.58 120.40 122.45 3hf9 s VAL 39 Ca 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 3hf9 s VAL 39 Cb 0.00 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 3hf9 s VAL 39 CO 0.00 0.53 0.01 -0.22 0.00 0.00 0.00 175.10 175.42 3hf9 s LEU 40 N -0.00 3.56 -0.17 3.92 2.96 -0.49 0.89 118.68 129.35 3hf9 s LEU 40 Ca 0.00 0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 53.89 3hf9 s LEU 40 Cb -0.13 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 3hf9 s LEU 40 CO 0.03 0.21 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.86 3hf9 s PHE 41 N 0.14 2.97 -0.06 5.38 0.08 0.43 -1.44 117.98 125.48 3hf9 s PHE 41 Ca 0.02 -0.51 -0.01 0.00 0.12 0.00 0.00 56.93 56.54 3hf9 s PHE 41 Cb -0.13 -1.99 0.03 0.00 -0.57 0.00 0.00 43.02 40.36 3hf9 s PHE 41 CO 0.02 -0.20 0.01 0.08 -0.10 0.00 0.00 175.22 175.03 3hf9 s VAL 42 N 0.69 0.26 0.03 -0.44 1.01 0.45 -1.15 120.40 121.24 3hf9 s VAL 42 Ca -0.03 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.17 3hf9 s VAL 42 Cb -0.15 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 3hf9 s VAL 42 CO 0.02 0.23 -0.10 0.00 0.00 0.00 0.00 175.10 175.25 3hf9 s ALA 43 N 1.89 0.84 -0.06 5.51 0.00 -0.82 -0.56 121.76 128.56 3hf9 s ALA 43 Ca 0.03 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.04 3hf9 s ALA 43 Cb -0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 3hf9 s ALA 43 CO -0.04 0.14 1.10 -1.83 0.00 0.00 0.00 175.76 175.12 3hf9 s GLU 44 N -0.96 4.41 -0.28 0.00 -1.05 -0.99 -1.50 118.70 118.34 3hf9 s GLU 44 Ca -0.01 1.54 0.00 0.00 -0.15 0.00 0.00 54.97 56.36 3hf9 s GLU 44 Cb -0.07 -3.52 0.16 0.00 -0.44 0.00 0.00 34.13 30.26 3hf9 s GLU 44 CO 0.01 -0.34 0.47 1.21 0.95 0.00 0.00 175.26 177.56 3hf9 s ASN 45 N 1.24 -0.34 0.02 0.83 3.84 -0.09 -4.63 114.94 115.80 3hf9 s ASN 45 Ca 0.53 0.18 -0.25 0.00 0.21 0.00 0.00 52.86 53.52 3hf9 s ASN 45 Cb -0.22 1.48 -0.17 0.00 -0.55 0.00 0.00 41.25 41.78 3hf9 s ASN 45 CO 0.22 -0.31 1.35 -0.65 -2.79 0.00 0.00 177.10 174.91 3hf9 h PRO 46 N 8.11 -0.22 -6.68 0.43 0.11 -1.89 -3.33 132.00 128.52 3hf9 h PRO 46 Ca -0.14 0.02 -0.58 0.00 0.11 0.00 0.00 66.00 65.40 3hf9 h PRO 46 Cb 1.15 0.05 0.13 0.00 0.11 0.00 0.00 31.00 32.44 3hf9 h PRO 46 CO 0.25 0.09 0.26 0.45 -0.21 0.00 0.00 178.00 178.84 3hf9 n SER 47 N -5.05 1.69 -0.58 -2.05 2.88 -1.26 -4.84 113.62 104.40 3hf9 n SER 47 Ca -0.09 1.08 0.10 0.00 -1.33 0.00 0.00 58.87 58.63 3hf9 n SER 47 Cb 0.22 -1.39 0.03 0.00 -0.75 0.00 0.00 64.21 62.32 3hf9 n SER 47 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3hf9 n ARG 48 N 0.21 1.59 0.00 -1.46 1.85 -1.26 -4.47 116.66 113.11 3hf9 n ARG 48 Ca 0.08 -1.21 0.00 0.00 -1.00 0.00 0.00 57.85 55.73 3hf9 n ARG 48 Cb 0.38 -1.40 0.00 0.00 -1.05 0.00 0.00 32.46 30.39 3hf9 n ARG 48 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3hf9 n SER 49 N 0.36 2.66 -4.57 2.89 3.41 -1.26 -5.01 113.62 112.10 3hf9 n SER 49 Ca 0.10 -0.21 -0.35 0.00 -0.26 0.00 0.00 58.87 58.14 3hf9 n SER 49 Cb 0.45 0.96 -0.11 0.00 -0.26 0.00 0.00 64.21 65.26 3hf9 n SER 49 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hf9 s LEU 50 N -2.45 3.66 -0.02 1.04 1.43 -1.26 -5.09 118.68 115.99 3hf9 s LEU 50 Ca 0.00 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.16 3hf9 s LEU 50 Cb 0.00 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 3hf9 s LEU 50 CO 0.00 0.12 -0.24 -1.10 0.23 0.00 0.00 176.35 175.37 3hf9 s GLN 51 N 0.67 1.96 -0.00 1.70 -0.21 -1.26 -4.83 119.66 117.68 3hf9 s GLN 51 Ca 0.03 -0.84 0.13 0.00 0.02 0.00 0.00 55.36 54.69 3hf9 s GLN 51 Cb -0.13 -1.87 -0.14 0.00 1.00 0.00 0.00 33.01 31.87 3hf9 s GLN 51 CO 0.02 0.49 0.54 1.63 -2.12 0.00 0.00 175.29 175.85 3hf9 n LYS 52 N 2.54 2.68 -5.02 2.91 5.02 -1.26 -4.94 118.16 120.10 3hf9 n LYS 52 Ca -0.16 -0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.85 3hf9 n LYS 52 Cb 0.52 -1.11 -0.15 0.00 -0.02 0.00 0.00 35.03 34.26 3hf9 n LYS 52 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hf9 s ILE 53 N -2.23 1.70 0.14 -0.18 1.01 -1.26 -1.44 121.20 118.93 3hf9 s ILE 53 Ca 0.05 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.57 3hf9 s ILE 53 Cb 0.10 -1.42 0.04 0.00 0.01 0.00 0.00 42.46 41.19 3hf9 s ILE 53 CO 0.53 0.45 0.45 -0.55 0.00 0.00 0.00 174.94 175.82 3hf9 s SER 54 N -0.58 -0.30 0.50 3.58 0.15 0.46 -5.00 113.70 112.51 3hf9 s SER 54 Ca 0.08 -0.28 -0.19 0.00 0.70 0.00 0.00 55.95 56.26 3hf9 s SER 54 Cb -0.08 0.51 -0.08 0.00 -1.71 0.00 0.00 66.02 64.66 3hf9 s SER 54 CO -0.01 -0.89 1.04 -0.70 1.20 0.00 0.00 173.24 173.88 3hf9 s GLU 55 N -3.80 3.73 0.04 5.44 2.12 -1.26 -0.92 118.70 124.04 3hf9 s GLU 55 Ca 0.03 1.32 -0.02 0.00 0.36 0.00 0.00 54.97 56.67 3hf9 s GLU 55 Cb 0.01 -2.09 -0.01 0.00 0.26 0.00 0.00 34.13 32.31 3hf9 s GLU 55 CO -0.11 -0.48 -0.03 1.28 -0.54 0.00 0.00 175.26 175.37 3hf9 n LEU 56 N -1.15 0.84 0.00 2.70 4.77 -0.49 -4.80 117.00 118.87 3hf9 n LEU 56 Ca 0.09 0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 56.07 3hf9 n LEU 56 Cb 0.53 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 3hf9 n LEU 56 CO 0.41 -0.44 -0.02 0.00 -1.33 0.00 0.00 177.39 176.00 3hf9 n TYR 57 N -3.43 -0.66 -0.18 -1.77 9.36 -0.92 -4.74 117.16 114.83 3hf9 n TYR 57 Ca -0.03 -1.75 -0.05 0.00 3.32 0.00 0.00 57.90 59.40 3hf9 n TYR 57 Cb 0.22 0.23 -0.04 0.00 -0.63 0.00 0.00 39.34 39.12 3hf9 n TYR 57 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 3hf9 n ASP 58 N -2.06 -0.44 -0.90 2.98 8.00 -1.26 -2.73 116.55 120.13 3hf9 n ASP 58 Ca 0.04 1.21 0.10 0.00 0.71 0.00 0.00 54.79 56.84 3hf9 n ASP 58 Cb 0.39 -0.33 0.15 0.00 -0.02 0.00 0.00 41.12 41.31 3hf9 n ASP 58 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hf9 n ARG 59 N -3.94 2.11 -5.14 -1.24 5.12 -1.26 -2.12 116.66 110.19 3hf9 n ARG 59 Ca 0.01 -1.96 -0.30 0.00 -1.93 0.00 0.00 57.85 53.66 3hf9 n ARG 59 Cb 0.11 -1.40 -0.17 0.00 -1.16 0.00 0.00 32.46 29.84 3hf9 n ARG 59 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3hf9 s VAL 60 N -1.35 1.90 0.50 1.55 0.11 -1.10 -1.98 120.40 120.03 3hf9 s VAL 60 Ca 0.29 -0.96 0.04 0.00 -2.93 0.00 0.00 61.98 58.43 3hf9 s VAL 60 Cb 0.18 -1.63 0.00 0.00 -1.53 0.00 0.00 36.38 33.40 3hf9 s VAL 60 CO 0.25 0.53 0.23 -0.83 -3.33 0.00 0.00 175.10 171.95 3hf9 s GLY 61 N 0.11 2.57 -0.12 6.54 0.00 -0.32 -1.40 107.32 114.70 3hf9 s GLY 61 Ca -0.10 -1.16 -0.08 0.00 0.00 0.00 0.00 44.72 43.38 3hf9 s GLY 61 CO 0.05 -2.02 0.30 -0.12 0.00 0.00 0.00 173.10 171.31 3hf9 s PHE 62 N -2.77 -0.38 -0.00 1.90 2.19 -0.10 -1.79 117.98 117.03 3hf9 s PHE 62 Ca 0.27 0.89 -0.01 0.00 0.33 0.00 0.00 56.93 58.40 3hf9 s PHE 62 Cb 0.00 0.11 -0.00 0.00 -1.31 0.00 0.00 43.02 41.83 3hf9 s PHE 62 CO 0.16 -0.23 0.02 0.00 1.83 0.00 0.00 175.22 177.00 3hf9 s ALA 63 N 0.89 -0.04 0.07 11.12 0.00 0.01 -0.40 121.76 133.41 3hf9 s ALA 63 Ca -0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.88 3hf9 s ALA 63 Cb -0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 3hf9 s ALA 63 CO -0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 175.76 175.65 3hf9 s ALA 64 N -0.17 0.66 0.06 0.00 0.00 -0.52 0.59 121.76 122.38 3hf9 s ALA 64 Ca -0.02 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.69 3hf9 s ALA 64 Cb -0.01 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 3hf9 s ALA 64 CO -0.00 -0.36 -0.09 0.00 0.00 0.00 0.00 175.76 175.31 3hf9 s ALA 65 N -3.88 0.80 0.00 0.00 0.00 -0.34 -4.83 121.76 113.52 3hf9 s ALA 65 Ca 0.10 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3hf9 s ALA 65 Cb 0.07 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.22 3hf9 s ALA 65 CO -0.07 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.09 3hf9 n GLY 66 N 1.15 0.40 3.66 0.00 0.00 -1.26 -1.51 105.19 107.63 3hf9 n GLY 66 Ca -0.20 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 3hf9 n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hf9 s LYS 67 N -0.87 4.28 0.05 1.61 2.20 -0.83 -4.90 119.74 121.28 3hf9 s LYS 67 Ca 0.00 1.27 -0.23 0.00 -0.36 0.00 0.00 55.97 56.65 3hf9 s LYS 67 Cb 0.00 -3.62 -0.12 0.00 -1.51 0.00 0.00 37.83 32.59 3hf9 s LYS 67 CO 0.00 -0.52 1.35 0.35 -0.36 0.00 0.00 175.35 176.16 3hf9 h PHE 68 N 7.40 -0.83 -1.62 4.03 3.57 -1.95 -2.12 116.94 125.41 3hf9 h PHE 68 Ca -0.23 -0.00 0.47 0.00 3.53 0.00 0.00 57.97 61.74 3hf9 h PHE 68 Cb 1.09 0.30 -0.07 0.00 2.79 0.00 0.00 35.95 40.07 3hf9 h PHE 68 CO 0.74 -0.45 1.17 -2.95 -2.23 0.00 0.00 178.31 174.59 3hf9 h ASN 69 N -0.73 0.00 0.00 0.41 -1.07 -1.99 0.22 115.58 112.43 3hf9 h ASN 69 Ca -0.06 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.27 3hf9 h ASN 69 Cb 0.59 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.84 3hf9 h ASN 69 CO 0.04 -0.00 -0.26 -0.33 0.07 0.00 0.00 177.43 176.95 3hf9 h GLU 70 N 0.00 0.00 0.00 4.14 5.08 -1.89 -3.01 114.58 118.89 3hf9 h GLU 70 Ca 0.77 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 59.04 3hf9 h GLU 70 Cb 3.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 32.34 3hf9 h GLU 70 CO -0.01 0.75 -0.47 0.27 -1.00 0.00 0.00 179.01 178.55 3hf9 h PHE 71 N -1.00 0.00 0.35 4.33 -5.15 -0.61 -2.54 116.94 112.33 3hf9 h PHE 71 Ca -0.06 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.69 3hf9 h PHE 71 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.01 3hf9 h PHE 71 CO 0.16 0.47 -0.17 0.22 -2.00 0.00 0.00 178.31 176.99 3hf9 h ASP 72 N 0.00 -0.40 -0.90 -0.68 3.58 -0.76 -0.80 116.42 116.46 3hf9 h ASP 72 Ca -0.00 -0.11 0.24 0.00 0.42 0.00 0.00 57.03 57.57 3hf9 h ASP 72 Cb 0.94 0.10 -0.17 0.00 1.72 0.00 0.00 39.33 41.93 3hf9 h ASP 72 CO 0.06 -0.11 -0.00 -3.20 -2.88 0.00 0.00 179.24 173.11 3hf9 n ASN 73 N -5.20 -0.12 -0.15 2.28 5.15 -1.14 -0.48 115.26 115.60 3hf9 n ASN 73 Ca -0.10 1.52 -0.09 0.00 -0.60 0.00 0.00 54.58 55.31 3hf9 n ASN 73 Cb 0.26 -0.55 0.04 0.00 -0.53 0.00 0.00 39.78 39.00 3hf9 n ASN 73 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3hf9 h LEU 74 N 0.00 0.95 -0.65 1.20 3.38 -1.03 -2.19 115.31 116.97 3hf9 h LEU 74 Ca 0.53 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 58.23 3hf9 h LEU 74 Cb 1.08 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 3hf9 h LEU 74 CO -0.85 1.10 0.35 -0.09 0.09 0.00 0.00 178.44 179.04 3hf9 h ARG 75 N 0.82 0.63 -0.19 1.13 2.43 0.70 -0.75 114.38 119.16 3hf9 h ARG 75 Ca 0.12 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3hf9 h ARG 75 Cb 0.72 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3hf9 h ARG 75 CO 0.06 0.42 0.02 0.00 -1.51 0.00 0.00 179.97 178.95 3hf9 h ARG 76 N 0.65 0.32 -0.87 0.20 3.08 -1.03 -2.11 114.38 114.62 3hf9 h ARG 76 Ca 0.29 -0.09 0.11 0.00 0.07 0.00 0.00 59.98 60.35 3hf9 h ARG 76 Cb 0.19 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 3hf9 h ARG 76 CO -0.18 0.50 0.56 0.78 -1.07 0.00 0.00 179.97 180.56 3hf9 h GLY 77 N 0.10 1.22 0.78 0.04 0.00 -1.17 0.13 103.07 104.17 3hf9 h GLY 77 Ca 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 3hf9 h GLY 77 CO 0.01 0.17 0.01 -1.33 0.00 0.00 0.00 176.54 175.40 3hf9 h GLY 78 N 0.81 0.21 0.92 4.60 0.00 -0.91 0.56 103.07 109.26 3hf9 h GLY 78 Ca 0.41 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.60 3hf9 h GLY 78 CO -0.18 0.14 -0.01 -2.22 0.00 0.00 0.00 176.54 174.27 3hf9 h ILE 79 N -0.06 0.96 -0.46 2.60 2.04 -0.98 0.17 117.51 121.79 3hf9 h ILE 79 Ca 0.03 -0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.98 3hf9 h ILE 79 Cb 0.33 0.96 -0.10 0.00 -0.74 0.00 0.00 36.82 37.27 3hf9 h ILE 79 CO 0.00 0.00 -0.28 1.56 0.00 0.00 0.00 178.15 179.43 3hf9 h GLN 80 N 0.00 -0.18 0.25 2.37 1.08 -0.63 -0.57 115.11 117.43 3hf9 h GLN 80 Ca 0.02 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 3hf9 h GLN 80 Cb 0.03 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 3hf9 h GLN 80 CO -0.04 -0.12 -0.12 0.35 -0.95 0.00 0.00 178.83 177.95 3hf9 h PHE 81 N -0.19 -0.31 -0.01 2.96 3.57 -0.44 -2.67 116.94 119.85 3hf9 h PHE 81 Ca 0.20 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.73 3hf9 h PHE 81 Cb 0.51 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.31 3hf9 h PHE 81 CO -0.53 -0.11 -0.26 0.00 -2.23 0.00 0.00 178.31 175.17 3hf9 h ALA 82 N 0.26 -0.35 -0.88 2.41 0.00 -0.36 -1.31 119.26 119.03 3hf9 h ALA 82 Ca -0.03 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.95 3hf9 h ALA 82 Cb 0.34 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 3hf9 h ALA 82 CO 0.06 -0.76 0.54 -0.44 0.00 0.00 0.00 179.25 178.64 3hf9 h ASP 83 N -0.40 0.81 -0.42 0.00 3.32 -1.14 -0.84 116.42 117.76 3hf9 h ASP 83 Ca 0.06 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3hf9 h ASP 83 Cb 0.49 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3hf9 h ASP 83 CO -0.23 0.49 0.27 0.74 -1.72 0.00 0.00 179.24 178.78 3hf9 h THR 84 N 0.93 1.12 -0.28 0.35 2.02 -1.08 -2.00 112.91 113.97 3hf9 h THR 84 Ca 0.41 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 3hf9 h THR 84 Cb 0.29 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3hf9 h THR 84 CO -0.21 0.11 0.10 0.03 0.37 0.00 0.00 175.52 175.92 3hf9 h ARG 85 N 0.56 0.42 -0.68 6.66 2.47 -0.55 -0.73 114.38 122.52 3hf9 h ARG 85 Ca 0.15 -0.08 0.05 0.00 -1.26 0.00 0.00 59.98 58.84 3hf9 h ARG 85 Cb -0.04 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.17 3hf9 h ARG 85 CO -0.03 0.46 0.45 0.78 0.56 0.00 0.00 179.97 182.19 3hf9 h GLY 86 N 0.29 0.91 1.20 0.04 0.00 -1.09 -0.14 103.07 104.28 3hf9 h GLY 86 Ca 0.09 -0.30 -0.25 0.00 0.00 0.00 0.00 47.33 46.88 3hf9 h GLY 86 CO -0.01 0.24 -0.91 -1.82 0.00 0.00 0.00 176.54 174.05 3hf9 h TYR 87 N 0.76 1.07 0.00 5.60 3.20 -1.10 -3.31 116.97 123.19 3hf9 h TYR 87 Ca 0.28 -0.52 0.00 0.00 3.14 0.00 0.00 58.73 61.63 3hf9 h TYR 87 Cb 0.17 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.30 3hf9 h TYR 87 CO -0.00 1.36 0.00 0.00 -1.64 0.00 0.00 178.16 177.88 3hf9 n ALA 88 N -2.63 2.29 -2.00 1.82 0.00 -0.30 -4.83 120.51 114.86 3hf9 n ALA 88 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3hf9 n ALA 88 Cb 0.81 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3hf9 n ALA 88 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hf9 n TYR 89 N -2.08 0.00 -4.40 0.00 4.01 -0.11 -5.07 117.16 109.52 3hf9 n TYR 89 Ca 0.06 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.60 3hf9 n TYR 89 Cb 0.41 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.33 3hf9 n TYR 89 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 3hf9 s ASP 90 N 1.00 2.39 0.54 7.72 3.84 -1.25 -4.99 116.67 125.92 3hf9 s ASP 90 Ca 0.00 -1.23 0.34 0.00 -0.00 0.00 0.00 52.55 51.66 3hf9 s ASP 90 Cb 0.00 -0.10 1.47 0.00 -1.38 0.00 0.00 42.92 42.92 3hf9 s ASP 90 CO 0.00 -0.45 2.01 0.03 -0.00 0.00 0.00 175.17 176.76 3hf9 h ARG 91 N 2.31 0.00 -0.14 2.11 3.08 -1.91 -3.00 114.38 116.84 3hf9 h ARG 91 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3hf9 h ARG 91 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3hf9 h ARG 91 CO 0.67 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 180.11 3hf9 n ARG 92 N -3.02 1.52 0.16 0.04 1.74 -1.26 -3.40 116.66 112.43 3hf9 n ARG 92 Ca 0.00 -0.79 0.07 0.00 -0.77 0.00 0.00 57.85 56.36 3hf9 n ARG 92 Cb 0.27 -1.33 0.07 0.00 -1.02 0.00 0.00 32.46 30.45 3hf9 n ARG 92 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 3hf9 h ASP 93 N 1.53 0.00 -3.14 0.55 3.58 -1.90 -3.44 116.42 113.61 3hf9 h ASP 93 Ca 0.00 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.87 3hf9 h ASP 93 Cb 0.34 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.32 3hf9 h ASP 93 CO 0.00 0.28 0.71 -0.69 -2.88 0.00 0.00 179.24 176.66 3hf9 s VAL 94 N -3.08 4.72 0.05 2.25 1.01 -1.22 -4.94 120.40 119.19 3hf9 s VAL 94 Ca 0.04 1.90 0.01 0.00 0.00 0.00 0.00 61.98 63.94 3hf9 s VAL 94 Cb 0.07 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 3hf9 s VAL 94 CO 0.72 -0.15 -0.05 0.42 0.00 0.00 0.00 175.10 176.04 3hf9 s THR 95 N 3.09 0.37 0.11 3.92 -4.23 -1.26 -4.94 115.64 112.70 3hf9 s THR 95 Ca 0.42 -1.32 -0.23 0.00 -1.18 0.00 0.00 61.69 59.38 3hf9 s THR 95 Cb -0.15 -0.86 -0.07 0.00 1.34 0.00 0.00 72.50 72.75 3hf9 s THR 95 CO 0.06 -0.62 1.69 1.23 -0.54 0.00 0.00 174.62 176.44 3hf9 h GLY 96 N 4.02 -0.09 -0.83 3.99 0.00 -1.94 -1.34 103.07 106.88 3hf9 h GLY 96 Ca -0.34 0.13 0.15 0.00 0.00 0.00 0.00 47.33 47.26 3hf9 h GLY 96 CO 0.50 -0.11 -0.34 -0.09 0.00 0.00 0.00 176.54 176.49 3hf9 h ARG 97 N -0.17 -0.04 0.28 4.80 1.12 -1.96 -1.04 114.38 117.38 3hf9 h ARG 97 Ca 0.05 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.91 3hf9 h ARG 97 Cb 0.24 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.21 3hf9 h ARG 97 CO -0.13 -0.02 -0.14 0.37 -3.11 0.00 0.00 179.97 176.94 3hf9 h GLN 98 N -0.04 -0.36 -0.56 0.20 4.15 -1.65 -2.35 115.11 114.50 3hf9 h GLN 98 Ca 0.34 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.83 3hf9 h GLN 98 Cb 0.60 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.33 3hf9 h GLN 98 CO -0.91 -0.11 0.31 -0.07 -1.93 0.00 0.00 178.83 176.12 3hf9 h LEU 99 N -0.58 0.47 -0.29 -2.39 3.38 -0.64 -1.26 115.31 113.99 3hf9 h LEU 99 Ca -0.04 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3hf9 h LEU 99 Cb 0.42 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3hf9 h LEU 99 CO 0.06 0.32 -0.03 0.00 0.09 0.00 0.00 178.44 178.88 3hf9 h ALA 100 N 1.28 0.23 -0.76 1.53 0.00 -1.16 0.47 119.26 120.86 3hf9 h ALA 100 Ca 0.24 0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.41 3hf9 h ALA 100 Cb 0.11 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 17.96 3hf9 h ALA 100 CO -0.14 -0.43 0.23 -0.97 0.00 0.00 0.00 179.25 177.93 3hf9 h ASN 101 N 0.05 0.10 -0.40 0.00 -0.73 -0.76 0.32 115.58 114.16 3hf9 h ASN 101 Ca 0.14 0.14 -0.05 0.00 1.87 0.00 0.00 56.30 58.40 3hf9 h ASN 101 Cb 0.20 0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.94 3hf9 h ASN 101 CO -0.26 -0.01 0.04 0.58 -0.37 0.00 0.00 177.43 177.41 3hf9 h VAL 102 N 0.32 1.25 -0.64 2.57 2.07 -0.09 -1.81 116.25 119.93 3hf9 h VAL 102 Ca 0.44 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 3hf9 h VAL 102 Cb 0.75 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3hf9 h VAL 102 CO -0.50 0.31 0.22 1.88 0.02 0.00 0.00 177.57 179.51 3hf9 h TYR 103 N 0.51 0.98 0.20 1.57 0.05 0.08 -1.98 116.97 118.38 3hf9 h TYR 103 Ca 0.12 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 3hf9 h TYR 103 Cb 0.41 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 37.85 3hf9 h TYR 103 CO 0.03 0.77 -0.13 0.00 -1.05 0.00 0.00 178.16 177.79 3hf9 h ALA 104 N 1.30 -0.31 0.00 3.88 0.00 -0.18 -0.36 119.26 123.59 3hf9 h ALA 104 Ca 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3hf9 h ALA 104 Cb 0.24 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hf9 h ALA 104 CO -0.01 -0.68 -0.07 1.96 0.00 0.00 0.00 179.25 180.44 3hf9 h GLN 105 N -0.32 0.00 0.00 0.00 4.20 -1.10 0.15 115.11 118.04 3hf9 h GLN 105 Ca -0.02 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 3hf9 h GLN 105 Cb 0.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3hf9 h GLN 105 CO 0.02 0.07 -0.30 1.15 -0.67 0.00 0.00 178.83 179.11 3hf9 h THR 106 N 0.00 1.39 -0.90 -0.54 2.02 -0.98 -2.25 112.91 111.65 3hf9 h THR 106 Ca -0.00 -2.15 -0.00 0.00 0.77 0.00 0.00 66.41 65.02 3hf9 h THR 106 Cb 0.20 2.74 -0.04 0.00 -1.74 0.00 0.00 68.15 69.31 3hf9 h THR 106 CO 0.01 0.47 0.55 -0.07 0.37 0.00 0.00 175.52 176.85 3hf9 h LEU 107 N -1.00 1.08 -0.39 2.58 3.38 -0.97 -0.12 115.31 119.86 3hf9 h LEU 107 Ca -0.08 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.85 3hf9 h LEU 107 Cb 0.97 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3hf9 h LEU 107 CO -0.05 0.82 0.23 1.23 0.09 0.00 0.00 178.44 180.76 3hf9 h GLY 108 N 1.25 0.54 0.88 0.83 0.00 -0.80 -0.45 103.07 105.31 3hf9 h GLY 108 Ca 0.32 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 3hf9 h GLY 108 CO -0.06 0.15 -0.01 -0.84 0.00 0.00 0.00 176.54 175.78 3hf9 h THR 109 N 0.46 1.07 -0.41 4.70 2.02 -0.94 -2.74 112.91 117.07 3hf9 h THR 109 Ca 0.15 -0.29 0.07 0.00 0.77 0.00 0.00 66.41 67.12 3hf9 h THR 109 Cb 0.00 1.26 -0.06 0.00 -1.74 0.00 0.00 68.15 67.61 3hf9 h THR 109 CO -0.07 0.07 0.03 0.40 0.37 0.00 0.00 175.52 176.33 3hf9 h ILE 110 N -0.16 0.72 -0.02 3.11 2.04 -0.90 0.30 117.51 122.61 3hf9 h ILE 110 Ca -0.00 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.81 3hf9 h ILE 110 Cb 0.15 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3hf9 h ILE 110 CO 0.01 0.03 0.02 0.15 0.00 0.00 0.00 178.15 178.35 3hf9 h PHE 111 N 0.15 0.00 0.00 1.37 3.57 -1.06 -1.71 116.94 119.26 3hf9 h PHE 111 Ca 0.20 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.50 3hf9 h PHE 111 Cb 0.28 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 3hf9 h PHE 111 CO -0.25 0.00 -1.12 1.15 -2.23 0.00 0.00 178.31 175.86 3hf9 h THR 112 N 0.00 1.00 0.00 4.41 2.02 -0.99 -3.45 112.91 115.90 3hf9 h THR 112 Ca 0.01 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 65.00 3hf9 h THR 112 Cb 0.04 2.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 3hf9 h THR 112 CO -0.00 0.34 -1.06 -0.62 0.37 0.00 0.00 175.52 174.55 3hf9 n GLU 113 N -4.45 1.71 -2.47 6.66 1.02 0.97 -4.99 120.64 119.09 3hf9 n GLU 113 Ca -0.30 -0.06 -0.24 0.00 -0.02 0.00 0.00 57.16 56.55 3hf9 n GLU 113 Cb 0.66 -1.18 0.09 0.00 -0.02 0.00 0.00 31.44 30.98 3hf9 n GLU 113 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3hf9 s GLN 114 N -2.50 1.93 0.05 3.49 -0.21 -0.65 -5.01 119.66 116.75 3hf9 s GLN 114 Ca 0.00 -0.79 -0.19 0.00 0.02 0.00 0.00 55.36 54.41 3hf9 s GLN 114 Cb 0.09 -2.30 -0.15 0.00 1.00 0.00 0.00 33.01 31.65 3hf9 s GLN 114 CO 0.51 -1.29 1.30 0.00 -2.12 0.00 0.00 175.29 173.69 3hf9 h ALA 115 N -0.48 0.24 -3.79 6.09 0.00 -1.94 -3.44 119.26 115.95 3hf9 h ALA 115 Ca -0.40 -0.41 -0.55 0.00 0.00 0.00 0.00 54.91 53.55 3hf9 h ALA 115 Cb 1.28 -0.04 -0.32 0.00 0.00 0.00 0.00 17.79 18.72 3hf9 h ALA 115 CO 0.47 0.27 -0.83 0.21 0.00 0.00 0.00 179.25 179.37 3hf9 s LYS 116 N -4.02 1.75 0.59 0.00 2.20 -1.26 -5.13 119.74 113.88 3hf9 s LYS 116 Ca -0.13 -0.56 -0.19 0.00 -0.36 0.00 0.00 55.97 54.72 3hf9 s LYS 116 Cb 0.06 -1.50 -0.03 0.00 -1.51 0.00 0.00 37.83 34.84 3hf9 s LYS 116 CO 0.79 0.19 1.25 -1.25 -0.36 0.00 0.00 175.35 175.98 3hf9 s PRO 117 N 0.17 2.92 0.01 4.03 0.04 -1.26 -4.85 135.00 136.05 3hf9 s PRO 117 Ca -0.06 1.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.63 3hf9 s PRO 117 Cb -0.12 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 3hf9 s PRO 117 CO 0.03 -1.28 1.28 0.71 0.04 0.00 0.00 177.00 177.78 3hf9 s TYR 118 N -1.49 3.14 -1.38 0.56 1.51 -1.26 -4.92 117.35 113.51 3hf9 s TYR 118 Ca 0.77 1.08 -0.11 0.00 -1.01 0.00 0.00 57.07 57.80 3hf9 s TYR 118 Cb -0.34 -3.53 0.10 0.00 -0.11 0.00 0.00 41.96 38.08 3hf9 s TYR 118 CO 0.37 -1.78 2.12 0.39 -1.11 0.00 0.00 175.55 175.54 3hf9 n GLU 119 N 4.85 3.36 -4.11 -0.62 1.02 -1.26 -4.67 120.64 119.21 3hf9 n GLU 119 Ca 0.11 -3.05 -0.09 0.00 -0.02 0.00 0.00 57.16 54.11 3hf9 n GLU 119 Cb 0.45 -3.05 -0.10 0.00 -0.02 0.00 0.00 31.44 28.72 3hf9 n GLU 119 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3hf9 s VAL 120 N 1.58 0.13 -0.09 2.62 -7.23 -1.26 -1.96 120.40 114.19 3hf9 s VAL 120 Ca 0.45 -1.82 -0.04 0.00 -1.81 0.00 0.00 61.98 58.77 3hf9 s VAL 120 Cb 0.13 -1.88 0.05 0.00 0.56 0.00 0.00 36.38 35.23 3hf9 s VAL 120 CO -0.05 -0.58 0.18 -0.70 -0.31 0.00 0.00 175.10 173.64 3hf9 s GLU 121 N -4.01 0.06 0.04 4.82 2.12 -0.57 -3.24 118.70 117.92 3hf9 s GLU 121 Ca 0.19 0.58 0.02 0.00 0.36 0.00 0.00 54.97 56.11 3hf9 s GLU 121 Cb 0.07 -0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.20 3hf9 s GLU 121 CO -0.02 -0.29 0.08 -0.51 -0.54 0.00 0.00 175.26 173.98 3hf9 s LEU 122 N 2.22 3.84 -0.09 2.70 1.02 -0.25 -1.20 118.68 126.92 3hf9 s LEU 122 Ca 0.02 0.06 -0.00 0.00 0.02 0.00 0.00 54.13 54.22 3hf9 s LEU 122 Cb -0.12 -2.40 0.02 0.00 0.02 0.00 0.00 46.19 43.72 3hf9 s LEU 122 CO -0.06 0.21 -0.07 0.00 0.02 0.00 0.00 176.35 176.46 3hf9 s VAL 124 N 1.53 3.92 -0.05 0.00 1.01 -0.57 -0.81 120.40 125.43 3hf9 s VAL 124 Ca 0.01 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.72 3hf9 s VAL 124 Cb -0.13 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 3hf9 s VAL 124 CO -0.05 0.39 -0.17 0.00 0.00 0.00 0.00 175.10 175.26 3hf9 s ALA 125 N 1.41 2.52 0.15 5.51 0.00 -0.74 -0.89 121.76 129.72 3hf9 s ALA 125 Ca 0.05 -1.01 0.10 0.00 0.00 0.00 0.00 51.96 51.11 3hf9 s ALA 125 Cb -0.15 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 3hf9 s ALA 125 CO 0.01 0.52 -0.21 -2.00 0.00 0.00 0.00 175.76 174.07 3hf9 s GLU 126 N -0.58 1.63 0.21 0.00 2.12 -0.41 -1.18 118.70 120.48 3hf9 s GLU 126 Ca 0.08 -1.34 0.05 0.00 0.36 0.00 0.00 54.97 54.12 3hf9 s GLU 126 Cb -0.11 -1.98 -0.05 0.00 0.26 0.00 0.00 34.13 32.25 3hf9 s GLU 126 CO 0.01 0.44 -0.07 0.54 -0.54 0.00 0.00 175.26 175.64 3hf9 s VAL 127 N -1.34 1.30 0.57 3.70 0.11 -0.84 -2.10 120.40 121.80 3hf9 s VAL 127 Ca 0.18 -2.09 -0.19 0.00 -2.93 0.00 0.00 61.98 56.96 3hf9 s VAL 127 Cb -0.09 -2.15 -0.05 0.00 -1.53 0.00 0.00 36.38 32.56 3hf9 s VAL 127 CO 0.09 -0.51 1.13 0.00 -3.33 0.00 0.00 175.10 172.49 3hf9 s ALA 128 N -3.25 2.65 0.79 1.54 0.00 -1.26 -4.88 121.76 117.35 3hf9 s ALA 128 Ca 0.24 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 52.86 3hf9 s ALA 128 Cb 0.03 -3.36 0.07 0.00 0.00 0.00 0.00 23.12 19.86 3hf9 s ALA 128 CO 0.06 -0.87 1.12 -1.01 0.00 0.00 0.00 175.76 175.06 3hf9 s HIS 129 N -1.87 2.32 0.07 0.00 3.76 -1.26 -4.79 115.29 113.52 3hf9 s HIS 129 Ca 0.72 1.62 -0.14 0.00 -0.15 0.00 0.00 55.06 57.11 3hf9 s HIS 129 Cb -0.23 -3.17 -0.03 0.00 1.11 0.00 0.00 32.58 30.26 3hf9 s HIS 129 CO 0.30 -2.08 1.23 -0.92 -0.85 0.00 0.00 174.74 172.42 3hf9 h TYR 130 N -1.08 -0.81 -0.02 1.40 3.20 -1.79 -2.45 116.97 115.43 3hf9 h TYR 130 Ca -0.44 0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.51 3hf9 h TYR 130 Cb 1.25 0.40 -0.04 0.00 1.54 0.00 0.00 36.73 39.88 3hf9 h TYR 130 CO 0.55 -0.17 -0.19 0.78 -1.64 0.00 0.00 178.16 177.49 3hf9 h GLY 131 N -0.03 -0.24 -0.89 1.82 0.00 -1.91 -3.47 103.07 98.35 3hf9 h GLY 131 Ca 0.06 0.22 -0.45 0.00 0.00 0.00 0.00 47.33 47.17 3hf9 h GLY 131 CO -0.38 -0.17 0.39 -1.83 0.00 0.00 0.00 176.54 174.54 3hf9 s GLU 132 N -6.11 0.79 -0.06 4.80 -1.05 -0.93 -5.08 118.70 111.06 3hf9 s GLU 132 Ca -0.15 -0.48 0.06 0.00 -0.15 0.00 0.00 54.97 54.25 3hf9 s GLU 132 Cb 0.09 -1.90 -0.01 0.00 -0.44 0.00 0.00 34.13 31.86 3hf9 s GLU 132 CO 0.66 -2.29 -0.23 0.95 0.95 0.00 0.00 175.26 175.31 3hf9 s THR 133 N -3.80 2.24 -0.28 1.83 -4.23 -1.26 -4.69 115.64 105.44 3hf9 s THR 133 Ca 0.73 -1.00 -0.25 0.00 -1.18 0.00 0.00 61.69 59.98 3hf9 s THR 133 Cb -0.04 -1.83 0.13 0.00 1.34 0.00 0.00 72.50 72.11 3hf9 s THR 133 CO 0.52 0.57 1.11 -0.75 -0.54 0.00 0.00 174.62 175.53 3hf9 s LYS 134 N -0.23 0.42 -0.08 3.99 2.20 -1.26 -5.05 119.74 119.73 3hf9 s LYS 134 Ca -0.01 0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 55.80 3hf9 s LYS 134 Cb -0.13 0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.36 3hf9 s LYS 134 CO 0.03 -0.05 1.25 0.50 -0.36 0.00 0.00 175.35 176.72 3hf9 s ARG 135 N 0.18 4.31 0.23 4.03 3.52 -1.26 -4.44 118.95 125.52 3hf9 s ARG 135 Ca 0.04 1.71 -0.28 0.00 -0.13 0.00 0.00 55.73 57.07 3hf9 s ARG 135 Cb -0.05 -3.63 -0.16 0.00 -1.56 0.00 0.00 34.95 29.55 3hf9 s ARG 135 CO -0.08 -0.55 0.61 -2.30 -0.81 0.00 0.00 175.30 172.17 3hf9 n PRO 136 N 5.68 0.29 -4.74 5.12 -0.02 -1.26 -4.91 135.00 135.16 3hf9 n PRO 136 Ca 0.12 0.10 -0.33 0.00 -2.02 0.00 0.00 63.50 61.37 3hf9 n PRO 136 Cb 0.45 -1.19 -0.12 0.00 -0.02 0.00 0.00 33.50 32.63 3hf9 n PRO 136 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3hf9 s GLU 137 N -1.13 2.61 0.01 -0.52 2.02 -0.89 -4.97 118.70 115.83 3hf9 s GLU 137 Ca 0.63 -0.63 0.07 0.00 0.02 0.00 0.00 54.97 55.06 3hf9 s GLU 137 Cb -0.87 -2.48 -0.02 0.00 0.10 0.00 0.00 34.13 30.86 3hf9 s GLU 137 CO 0.57 0.64 -0.22 -0.51 0.02 0.00 0.00 175.26 175.76 3hf9 s LEU 138 N -0.82 2.10 -0.03 1.80 1.02 -1.23 -1.28 118.68 120.24 3hf9 s LEU 138 Ca 0.12 -0.47 0.03 0.00 0.02 0.00 0.00 54.13 53.84 3hf9 s LEU 138 Cb -0.11 -1.10 0.00 0.00 0.02 0.00 0.00 46.19 45.00 3hf9 s LEU 138 CO 0.01 0.23 -0.12 -0.31 0.02 0.00 0.00 176.35 176.18 3hf9 s TYR 139 N -0.66 1.23 -0.23 0.29 1.51 -0.07 -3.25 117.35 116.18 3hf9 s TYR 139 Ca 0.09 -0.33 -0.04 0.00 -1.01 0.00 0.00 57.07 55.78 3hf9 s TYR 139 Cb -0.09 -0.86 -0.00 0.00 -0.11 0.00 0.00 41.96 40.90 3hf9 s TYR 139 CO 0.01 -0.12 -0.04 0.50 -1.11 0.00 0.00 175.55 174.79 3hf9 s ARG 140 N 0.13 3.29 -0.14 -0.62 3.52 -0.12 -1.51 118.95 123.50 3hf9 s ARG 140 Ca -0.03 -0.69 -0.03 0.00 -0.13 0.00 0.00 55.73 54.85 3hf9 s ARG 140 Cb -0.10 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.24 3hf9 s ARG 140 CO 0.01 -0.24 -0.03 0.42 -0.81 0.00 0.00 175.30 174.65 3hf9 s ILE 141 N 1.46 4.01 0.45 4.11 1.09 -0.42 -0.93 121.20 130.98 3hf9 s ILE 141 Ca 0.05 -0.32 0.07 0.00 -1.10 0.00 0.00 60.65 59.34 3hf9 s ILE 141 Cb -0.15 -2.74 -0.01 0.00 -1.06 0.00 0.00 42.46 38.50 3hf9 s ILE 141 CO -0.03 0.51 0.33 0.42 -0.10 0.00 0.00 174.94 176.07 3hf9 s THR 142 N 0.10 2.28 0.63 2.92 -4.23 -0.75 -1.09 115.64 115.49 3hf9 s THR 142 Ca 0.00 -1.49 0.23 0.00 -1.18 0.00 0.00 61.69 59.26 3hf9 s THR 142 Cb -0.13 -2.76 0.23 0.00 1.34 0.00 0.00 72.50 71.18 3hf9 s THR 142 CO 0.02 0.00 1.71 0.10 -0.54 0.00 0.00 174.62 175.92 3hf9 h TYR 143 N 1.07 0.00 -0.01 3.99 -0.00 -1.82 -0.47 116.97 119.72 3hf9 h TYR 143 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.32 3hf9 h TYR 143 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.00 3hf9 h TYR 143 CO 0.67 0.00 -0.33 -0.40 -0.00 0.00 0.00 178.16 178.10 3hf9 n ASP 144 N -2.77 1.84 0.00 0.10 5.75 -1.26 -4.58 116.55 115.64 3hf9 n ASP 144 Ca -0.02 -1.42 0.00 0.00 -0.01 0.00 0.00 54.79 53.34 3hf9 n ASP 144 Cb 0.49 0.42 0.00 0.00 -1.03 0.00 0.00 41.12 41.00 3hf9 n ASP 144 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hf9 n GLY 145 N 1.21 0.24 3.73 6.12 0.00 -0.19 -3.96 105.19 112.35 3hf9 n GLY 145 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3hf9 n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hf9 s SER 146 N -2.40 6.65 -0.14 1.61 0.01 -1.26 -4.71 113.70 113.47 3hf9 s SER 146 Ca 0.00 2.60 0.01 0.00 1.31 0.00 0.00 55.95 59.87 3hf9 s SER 146 Cb 0.00 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.64 3hf9 s SER 146 CO 0.00 -0.74 -0.15 -0.51 0.41 0.00 0.00 173.24 172.25 3hf9 s ILE 147 N 0.60 1.56 0.11 1.44 2.07 -1.26 -1.82 121.20 123.90 3hf9 s ILE 147 Ca 0.64 -0.64 0.06 0.00 -1.41 0.00 0.00 60.65 59.30 3hf9 s ILE 147 Cb -0.42 -1.45 -0.04 0.00 0.13 0.00 0.00 42.46 40.68 3hf9 s ILE 147 CO 0.37 0.46 -0.06 0.00 -1.91 0.00 0.00 174.94 173.80 3hf9 s ALA 148 N 1.31 3.10 -0.41 1.50 0.00 -0.10 -4.98 121.76 122.18 3hf9 s ALA 148 Ca 0.01 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 50.76 3hf9 s ALA 148 Cb -0.14 -1.00 0.12 0.00 0.00 0.00 0.00 23.12 22.11 3hf9 s ALA 148 CO -0.08 0.63 0.17 0.16 0.00 0.00 0.00 175.76 176.65 3hf9 s ASP 149 N -2.37 4.15 0.61 0.00 -4.77 -1.26 -0.94 116.67 112.09 3hf9 s ASP 149 Ca 0.24 -2.39 -0.14 0.00 -3.30 0.00 0.00 52.55 46.96 3hf9 s ASP 149 Cb -0.11 -1.27 -0.03 0.00 -1.09 0.00 0.00 42.92 40.42 3hf9 s ASP 149 CO 0.16 -0.32 1.04 -1.61 0.70 0.00 0.00 175.17 175.14 3hf9 s GLU 150 N 0.61 3.34 -0.07 2.11 2.02 -1.20 -4.95 118.70 120.57 3hf9 s GLU 150 Ca 0.14 1.05 0.19 0.00 0.02 0.00 0.00 54.97 56.36 3hf9 s GLU 150 Cb -0.22 -2.04 -0.28 0.00 0.10 0.00 0.00 34.13 31.69 3hf9 s GLU 150 CO -0.07 -0.78 0.33 -0.35 0.02 0.00 0.00 175.26 174.40 3hf9 n PRO 151 N -2.35 0.72 -0.03 0.39 -0.05 -1.26 -3.53 135.00 128.88 3hf9 n PRO 151 Ca 0.08 -0.13 -0.07 0.00 -0.05 0.00 0.00 63.50 63.32 3hf9 n PRO 151 Cb 0.53 -1.46 -0.02 0.00 -0.05 0.00 0.00 33.50 32.50 3hf9 n PRO 151 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 3hf9 n HIS 152 N -2.31 0.00 -3.88 0.54 8.25 -1.26 -4.83 115.22 111.74 3hf9 n HIS 152 Ca -0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.26 3hf9 n HIS 152 Cb 0.66 -0.26 -0.06 0.00 1.12 0.00 0.00 29.99 31.46 3hf9 n HIS 152 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3hf9 s PHE 153 N -2.16 0.19 -0.02 4.41 -0.12 -1.26 -0.73 117.98 118.30 3hf9 s PHE 153 Ca -0.10 -0.55 -0.01 0.00 -0.05 0.00 0.00 56.93 56.21 3hf9 s PHE 153 Cb 0.04 0.14 0.01 0.00 -0.63 0.00 0.00 43.02 42.58 3hf9 s PHE 153 CO 0.13 -0.82 0.05 0.08 -0.05 0.00 0.00 175.22 174.62 3hf9 s VAL 154 N -3.93 -0.02 -0.06 -2.49 1.01 0.89 -4.81 120.40 110.97 3hf9 s VAL 154 Ca 0.14 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.24 3hf9 s VAL 154 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.31 3hf9 s VAL 154 CO -0.00 0.03 -0.18 -0.69 0.00 0.00 0.00 175.10 174.25 3hf9 s VAL 155 N 0.42 1.56 0.03 2.92 1.01 -1.26 -1.40 120.40 123.68 3hf9 s VAL 155 Ca -0.03 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3hf9 s VAL 155 Cb -0.05 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 3hf9 s VAL 155 CO -0.01 0.45 -0.06 -0.04 0.00 0.00 0.00 175.10 175.43 3hf9 s MET 156 N 0.24 0.46 0.23 2.72 -1.94 -0.45 -4.99 119.30 115.56 3hf9 s MET 156 Ca -0.10 -0.64 0.00 0.00 -1.71 0.00 0.00 55.69 53.25 3hf9 s MET 156 Cb -0.14 -0.22 0.00 0.00 2.01 0.00 0.00 34.83 36.47 3hf9 s MET 156 CO 0.04 0.04 0.00 0.41 -0.01 0.00 0.00 175.02 175.50 3hf9 n GLY 157 N 1.72 -2.92 7.00 -0.03 0.00 -1.26 -0.63 105.19 109.06 3hf9 n GLY 157 Ca -0.21 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3hf9 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hf9 n GLY 158 N -2.82 1.23 3.49 -0.02 0.00 -0.68 -4.30 105.19 102.09 3hf9 n GLY 158 Ca -0.03 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 3hf9 n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hf9 s THR 159 N 0.00 4.83 0.05 2.61 -4.23 -1.26 -4.94 115.64 112.70 3hf9 s THR 159 Ca 0.00 -0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.34 3hf9 s THR 159 Cb 0.00 -4.25 -0.28 0.00 1.34 0.00 0.00 72.50 69.31 3hf9 s THR 159 CO 0.00 -0.70 1.05 0.71 -0.54 0.00 0.00 174.62 175.14 3hf9 h THR 160 N 5.87 1.39 -0.31 3.99 1.35 -1.95 -3.38 112.91 119.87 3hf9 h THR 160 Ca -0.26 -2.99 0.06 0.00 -0.55 0.00 0.00 66.41 62.67 3hf9 h THR 160 Cb 1.09 2.88 -0.06 0.00 -1.73 0.00 0.00 68.15 70.33 3hf9 h THR 160 CO 0.93 0.87 -0.10 -0.33 -0.25 0.00 0.00 175.52 176.64 3hf9 h GLU 161 N 0.07 -0.03 -0.50 4.72 3.07 -1.96 0.13 114.58 120.08 3hf9 h GLU 161 Ca -0.17 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.82 3hf9 h GLU 161 Cb 1.98 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.87 3hf9 h GLU 161 CO 0.19 -0.02 0.35 -1.35 -1.40 0.00 0.00 179.01 176.78 3hf9 h PRO 162 N -0.03 0.12 0.13 2.33 0.11 -1.90 -0.02 132.00 132.74 3hf9 h PRO 162 Ca 0.15 -0.01 -0.33 0.00 0.11 0.00 0.00 66.00 65.92 3hf9 h PRO 162 Cb 0.26 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3hf9 h PRO 162 CO -0.33 0.08 -1.77 0.82 -0.21 0.00 0.00 178.00 176.58 3hf9 h ILE 163 N 0.12 0.79 -0.64 4.15 2.04 -1.50 -2.87 117.51 119.61 3hf9 h ILE 163 Ca 0.24 -2.37 -0.00 0.00 1.00 0.00 0.00 64.86 63.72 3hf9 h ILE 163 Cb 0.78 2.57 -0.03 0.00 -0.74 0.00 0.00 36.82 39.40 3hf9 h ILE 163 CO -0.03 0.80 0.39 0.00 0.00 0.00 0.00 178.15 179.32 3hf9 h ALA 164 N 0.00 0.81 -0.17 1.87 0.00 -0.37 -1.29 119.26 120.12 3hf9 h ALA 164 Ca -0.38 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 3hf9 h ALA 164 Cb 1.93 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 3hf9 h ALA 164 CO 0.07 0.28 0.02 -0.91 0.00 0.00 0.00 179.25 178.71 3hf9 h ASN 165 N 0.87 0.28 -0.94 0.00 2.35 -1.16 -0.12 115.58 116.86 3hf9 h ASN 165 Ca 0.23 -0.27 0.18 0.00 -0.55 0.00 0.00 56.30 55.89 3hf9 h ASN 165 Cb -0.04 -0.07 -0.11 0.00 0.05 0.00 0.00 38.32 38.15 3hf9 h ASN 165 CO -0.04 0.48 0.53 0.00 -1.65 0.00 0.00 177.43 176.74 3hf9 h ALA 166 N 0.81 1.52 -0.02 -0.83 0.00 -1.26 -2.35 119.26 117.12 3hf9 h ALA 166 Ca 0.05 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3hf9 h ALA 166 Cb 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hf9 h ALA 166 CO 0.00 -0.11 -0.19 -0.07 0.00 0.00 0.00 179.25 178.88 3hf9 h LEU 167 N 0.67 0.20 -0.99 0.00 3.38 -1.08 -2.42 115.31 115.07 3hf9 h LEU 167 Ca 0.54 -0.72 0.31 0.00 0.09 0.00 0.00 57.88 58.10 3hf9 h LEU 167 Cb 0.85 -0.06 -0.18 0.00 0.09 0.00 0.00 40.66 41.36 3hf9 h LEU 167 CO -0.40 0.89 0.18 0.11 0.09 0.00 0.00 178.44 179.32 3hf9 h LYS 168 N -0.48 0.01 0.12 1.13 1.57 -0.47 0.34 116.57 118.79 3hf9 h LYS 168 Ca -0.02 -0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.42 3hf9 h LYS 168 Cb 0.91 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 3hf9 h LYS 168 CO 0.04 0.01 -1.83 1.05 -0.57 0.00 0.00 179.45 178.15 3hf9 h GLU 169 N 0.01 0.25 -0.26 3.15 4.11 -1.59 -3.36 114.58 116.88 3hf9 h GLU 169 Ca 0.67 -0.43 0.00 0.00 0.07 0.00 0.00 59.36 59.67 3hf9 h GLU 169 Cb 1.53 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.94 3hf9 h GLU 169 CO -0.88 1.12 0.00 -1.13 0.07 0.00 0.00 179.01 178.19 3hf9 n SER 170 N -3.44 1.97 -4.51 3.06 3.41 -0.59 -4.90 113.62 108.62 3hf9 n SER 170 Ca -0.26 -1.83 -0.35 0.00 -0.26 0.00 0.00 58.87 56.18 3hf9 n SER 170 Cb 1.05 -0.17 -0.12 0.00 -0.26 0.00 0.00 64.21 64.72 3hf9 n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3hf9 s TYR 171 N -1.66 3.10 -0.09 7.33 5.04 0.11 -4.98 117.35 126.20 3hf9 s TYR 171 Ca 0.31 -0.27 0.03 0.00 -2.44 0.00 0.00 57.07 54.70 3hf9 s TYR 171 Cb 0.17 -2.07 0.01 0.00 0.35 0.00 0.00 41.96 40.41 3hf9 s TYR 171 CO 0.24 -0.10 -0.17 0.00 -1.34 0.00 0.00 175.55 174.17 3hf9 s ALA 172 N 0.77 1.71 0.59 3.97 0.00 -1.26 -4.96 121.76 122.57 3hf9 s ALA 172 Ca 0.01 -0.70 -0.18 0.00 0.00 0.00 0.00 51.96 51.09 3hf9 s ALA 172 Cb -0.14 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 3hf9 s ALA 172 CO 0.02 0.14 1.12 -1.83 0.00 0.00 0.00 175.76 175.21 3hf9 s GLU 173 N 0.61 3.15 0.00 0.00 -1.05 -1.26 -3.17 118.70 116.98 3hf9 s GLU 173 Ca -0.14 1.54 0.00 0.00 -0.15 0.00 0.00 54.97 56.22 3hf9 s GLU 173 Cb -0.16 -1.98 0.00 0.00 -0.44 0.00 0.00 34.13 31.54 3hf9 s GLU 173 CO 0.04 -1.00 0.00 0.09 0.95 0.00 0.00 175.26 175.35 3hf9 n ASN 174 N -1.70 -2.81 -4.77 0.83 4.13 -1.26 -5.00 115.26 104.68 3hf9 n ASN 174 Ca 0.11 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 56.02 3hf9 n ASN 174 Cb 0.51 -0.47 0.01 0.00 -1.54 0.00 0.00 39.78 38.29 3hf9 n ASN 174 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hf9 s ALA 175 N -2.00 2.70 0.75 5.41 0.00 -1.19 -4.23 121.76 123.20 3hf9 s ALA 175 Ca 0.00 0.91 -0.11 0.00 0.00 0.00 0.00 51.96 52.76 3hf9 s ALA 175 Cb 0.00 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.77 3hf9 s ALA 175 CO 0.00 -0.88 1.08 -1.54 0.00 0.00 0.00 175.76 174.43 3hf9 s SER 176 N -1.63 4.78 0.20 0.00 1.04 -1.26 -1.68 113.70 115.14 3hf9 s SER 176 Ca 0.73 1.75 -0.11 0.00 0.48 0.00 0.00 55.95 58.80 3hf9 s SER 176 Cb -0.27 -2.50 0.13 0.00 0.10 0.00 0.00 66.02 63.48 3hf9 s SER 176 CO 0.30 -1.85 1.83 0.25 0.98 0.00 0.00 173.24 174.76 3hf9 h LEU 177 N -1.00 0.86 -0.75 2.42 5.85 -1.98 0.24 115.31 120.96 3hf9 h LEU 177 Ca -0.44 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.17 3hf9 h LEU 177 Cb 1.22 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 3hf9 h LEU 177 CO 0.53 0.68 0.29 0.00 -0.34 0.00 0.00 178.44 179.61 3hf9 h THR 178 N 0.97 1.25 -0.33 1.05 1.03 -1.95 -0.24 112.91 114.69 3hf9 h THR 178 Ca 0.25 -0.81 -0.13 0.00 -0.01 0.00 0.00 66.41 65.71 3hf9 h THR 178 Cb -0.01 0.39 -0.01 0.00 -1.07 0.00 0.00 68.15 67.45 3hf9 h THR 178 CO -0.05 0.33 -0.31 0.44 -0.01 0.00 0.00 175.52 175.92 3hf9 h ASP 179 N 1.08 0.85 -0.76 0.00 5.19 -1.84 -2.48 116.42 118.46 3hf9 h ASP 179 Ca 0.25 -0.46 -0.05 0.00 -0.62 0.00 0.00 57.03 56.15 3hf9 h ASP 179 Cb 0.22 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.46 3hf9 h ASP 179 CO -0.02 1.13 0.28 0.00 -3.12 0.00 0.00 179.24 177.51 3hf9 h ALA 180 N 0.74 0.98 -0.50 3.45 0.00 -0.27 -1.05 119.26 122.61 3hf9 h ALA 180 Ca 0.06 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3hf9 h ALA 180 Cb 0.88 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3hf9 h ALA 180 CO 0.08 0.63 0.10 1.25 0.00 0.00 0.00 179.25 181.30 3hf9 h LEU 181 N 1.10 0.79 -0.69 0.00 5.85 -1.01 -0.56 115.31 120.79 3hf9 h LEU 181 Ca 0.25 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3hf9 h LEU 181 Cb 0.25 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3hf9 h LEU 181 CO -0.02 0.84 0.26 0.03 -0.34 0.00 0.00 178.44 179.21 3hf9 h ARG 182 N 0.71 1.04 -0.77 1.25 3.08 -1.16 -0.62 114.38 117.91 3hf9 h ARG 182 Ca 0.16 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3hf9 h ARG 182 Cb 0.37 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3hf9 h ARG 182 CO 0.01 0.87 0.32 0.82 -1.07 0.00 0.00 179.97 180.92 3hf9 h ILE 183 N 0.98 1.25 -0.62 2.04 2.04 -0.91 -0.72 117.51 121.58 3hf9 h ILE 183 Ca 0.23 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 3hf9 h ILE 183 Cb 0.23 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 3hf9 h ILE 183 CO -0.02 0.32 0.24 0.00 0.00 0.00 0.00 178.15 178.70 3hf9 h ALA 184 N 1.16 0.80 -0.79 1.87 0.00 -0.63 -0.51 119.26 121.16 3hf9 h ALA 184 Ca 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3hf9 h ALA 184 Cb 0.19 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3hf9 h ALA 184 CO -0.02 0.42 0.37 0.28 0.00 0.00 0.00 179.25 180.30 3hf9 h VAL 185 N 0.87 1.25 -0.59 0.00 2.07 -0.63 -0.09 116.25 119.13 3hf9 h VAL 185 Ca 0.21 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 3hf9 h VAL 185 Cb 0.21 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3hf9 h VAL 185 CO -0.02 0.30 0.22 0.00 0.02 0.00 0.00 177.57 178.10 3hf9 h ALA 186 N 1.19 0.76 -0.68 1.67 0.00 -0.65 -0.72 119.26 120.84 3hf9 h ALA 186 Ca 0.27 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3hf9 h ALA 186 Cb 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3hf9 h ALA 186 CO -0.03 0.39 0.23 0.00 0.00 0.00 0.00 179.25 179.84 3hf9 h ALA 187 N 1.07 1.13 -0.46 0.00 0.00 -0.67 -2.50 119.26 117.83 3hf9 h ALA 187 Ca 0.19 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hf9 h ALA 187 Cb 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hf9 h ALA 187 CO -0.01 0.61 0.14 -0.07 0.00 0.00 0.00 179.25 179.91 3hf9 h LEU 188 N 0.99 0.61 -0.60 0.00 3.38 -0.48 -3.04 115.31 116.18 3hf9 h LEU 188 Ca 0.22 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3hf9 h LEU 188 Cb 0.25 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3hf9 h LEU 188 CO -0.01 0.59 0.36 0.03 0.09 0.00 0.00 178.44 179.50 3hf9 h ARG 189 N 0.66 0.69 0.00 1.13 3.08 -0.67 -3.51 114.38 115.76 3hf9 h ARG 189 Ca 0.15 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3hf9 h ARG 189 Cb 0.20 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3hf9 h ARG 189 CO -0.01 0.46 0.00 0.00 -1.07 0.00 0.00 179.97 179.35 3hf9 n ALA 190 N -2.30 0.65 0.00 0.04 0.00 -1.15 -5.13 120.51 112.62 3hf9 n ALA 190 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3hf9 n ALA 190 Cb 0.09 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.11 3hf9 n ALA 190 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3hf9 n VAL 205 N -0.30 0.00 0.05 0.00 0.24 -1.26 -4.65 118.33 112.40 3hf9 n VAL 205 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.34 3hf9 n VAL 205 Cb 0.00 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.45 3hf9 n VAL 205 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hf9 n ALA 206 N -0.59 2.26 -0.82 2.33 0.00 -1.26 -4.32 120.51 118.11 3hf9 n ALA 206 Ca 0.00 -0.90 0.08 0.00 0.00 0.00 0.00 53.44 52.62 3hf9 n ALA 206 Cb 0.00 -0.29 0.37 0.00 0.00 0.00 0.00 19.45 19.53 3hf9 n ALA 206 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hf9 n SER 207 N 0.31 5.19 -4.30 0.00 7.64 -1.26 -4.86 113.62 116.34 3hf9 n SER 207 Ca 0.07 -2.78 -0.30 0.00 1.01 0.00 0.00 58.87 56.87 3hf9 n SER 207 Cb 0.31 -0.63 -0.16 0.00 -1.01 0.00 0.00 64.21 62.72 3hf9 n SER 207 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hf9 s LEU 208 N -2.46 2.07 -0.22 -3.43 1.43 -1.25 -0.91 118.68 113.91 3hf9 s LEU 208 Ca 0.52 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 53.10 3hf9 s LEU 208 Cb 0.38 -1.28 -0.01 0.00 0.03 0.00 0.00 46.19 45.30 3hf9 s LEU 208 CO 0.18 0.30 -0.02 -0.70 0.23 0.00 0.00 176.35 176.34 3hf9 s GLU 209 N -0.71 3.45 -0.09 1.70 2.12 -0.56 -4.85 118.70 119.76 3hf9 s GLU 209 Ca 0.10 -0.59 0.02 0.00 0.36 0.00 0.00 54.97 54.86 3hf9 s GLU 209 Cb -0.10 -3.08 0.01 0.00 0.26 0.00 0.00 34.13 31.23 3hf9 s GLU 209 CO -0.00 -0.18 -0.14 0.08 -0.54 0.00 0.00 175.26 174.48 3hf9 s VAL 210 N 1.46 1.34 0.03 3.70 1.01 -1.26 -1.94 120.40 124.74 3hf9 s VAL 210 Ca 0.05 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3hf9 s VAL 210 Cb -0.14 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3hf9 s VAL 210 CO -0.01 0.41 -0.08 0.00 0.00 0.00 0.00 175.10 175.42 3hf9 s ALA 211 N 0.93 0.60 0.03 5.51 0.00 -0.30 -1.16 121.76 127.36 3hf9 s ALA 211 Ca -0.09 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.23 3hf9 s ALA 211 Cb -0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 3hf9 s ALA 211 CO -0.00 0.03 -0.06 0.14 0.00 0.00 0.00 175.76 175.86 3hf9 s VAL 212 N -1.08 0.45 -0.31 0.00 -7.23 -0.79 0.16 120.40 111.60 3hf9 s VAL 212 Ca -0.07 -0.77 -0.12 0.00 -1.81 0.00 0.00 61.98 59.21 3hf9 s VAL 212 Cb -0.08 -0.49 -0.03 0.00 0.56 0.00 0.00 36.38 36.34 3hf9 s VAL 212 CO 0.00 -0.23 0.21 -0.22 -0.31 0.00 0.00 175.10 174.56 3hf9 s LEU 213 N -1.08 4.28 -0.22 1.32 2.96 0.26 -2.02 118.68 124.17 3hf9 s LEU 213 Ca -0.06 -0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 53.54 3hf9 s LEU 213 Cb -0.07 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 3hf9 s LEU 213 CO 0.00 -0.15 0.00 -0.62 -1.32 0.00 0.00 176.35 174.26 3hf9 s ASP 214 N 1.73 4.68 0.36 3.68 -1.08 -0.95 -1.91 116.67 123.17 3hf9 s ASP 214 Ca 0.06 -0.29 0.08 0.00 -0.52 0.00 0.00 52.55 51.88 3hf9 s ASP 214 Cb -0.17 -1.81 0.67 0.00 -1.46 0.00 0.00 42.92 40.15 3hf9 s ASP 214 CO 0.10 -0.00 1.85 0.00 0.52 0.00 0.00 175.17 177.64 3hf9 h ALA 215 N 8.01 1.38 -0.45 3.66 0.00 -1.70 -2.94 119.26 127.21 3hf9 h ALA 215 Ca -0.39 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 3hf9 h ALA 215 Cb 1.17 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3hf9 h ALA 215 CO 0.60 0.43 0.27 -0.97 0.00 0.00 0.00 179.25 179.57 3hf9 h ASN 216 N 0.26 0.53 -3.92 0.00 -1.24 -1.92 -3.41 115.58 105.89 3hf9 h ASN 216 Ca 0.05 -0.02 -0.54 0.00 0.71 0.00 0.00 56.30 56.50 3hf9 h ASN 216 Cb 0.48 -0.13 0.10 0.00 0.73 0.00 0.00 38.32 39.50 3hf9 h ASN 216 CO 0.03 0.41 0.76 -0.13 -1.29 0.00 0.00 177.43 177.21 3hf9 s ARG 217 N -5.48 4.15 0.12 6.67 1.81 -1.11 -4.95 118.95 120.15 3hf9 s ARG 217 Ca -0.09 2.52 -0.16 0.00 -1.72 0.00 0.00 55.73 56.28 3hf9 s ARG 217 Cb 0.17 -2.98 -0.03 0.00 -0.45 0.00 0.00 34.95 31.65 3hf9 s ARG 217 CO 0.74 -0.48 1.60 -1.35 -0.68 0.00 0.00 175.30 175.13 3hf9 h PRO 218 N 3.10 0.58 0.00 3.54 0.11 -1.89 -3.42 132.00 134.03 3hf9 h PRO 218 Ca -0.50 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.45 3hf9 h PRO 218 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hf9 h PRO 218 CO 0.65 0.65 0.00 -2.13 -0.21 0.00 0.00 178.00 176.96 3hf9 n ARG 219 N -4.58 0.00 -2.96 1.05 0.63 -1.26 -4.41 116.66 105.13 3hf9 n ARG 219 Ca -0.01 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.48 3hf9 n ARG 219 Cb 0.22 -0.19 -0.04 0.00 0.45 0.00 0.00 32.46 32.90 3hf9 n ARG 219 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3hf9 s ARG 220 N -1.73 3.19 0.24 -0.14 0.52 -1.26 -4.36 118.95 115.42 3hf9 s ARG 220 Ca 0.00 -1.19 -0.02 0.00 -0.52 0.00 0.00 55.73 54.00 3hf9 s ARG 220 Cb 0.00 -4.37 0.29 0.00 0.52 0.00 0.00 34.95 31.38 3hf9 s ARG 220 CO 0.00 -1.72 1.69 0.00 0.02 0.00 0.00 175.30 175.30 3hf9 h ALA 221 N 9.28 1.00 -2.53 2.13 0.00 -1.66 -3.46 119.26 124.02 3hf9 h ALA 221 Ca -0.20 -0.33 -0.57 0.00 0.00 0.00 0.00 54.91 53.81 3hf9 h ALA 221 Cb 1.07 -0.15 0.10 0.00 0.00 0.00 0.00 17.79 18.80 3hf9 h ALA 221 CO 1.13 0.59 0.58 0.34 0.00 0.00 0.00 179.25 181.90 3hf9 n PHE 222 N -4.14 2.35 -3.66 0.00 7.35 -1.26 -2.24 117.46 115.85 3hf9 n PHE 222 Ca 0.01 0.49 -0.06 0.00 -0.76 0.00 0.00 57.45 57.13 3hf9 n PHE 222 Cb 0.39 -2.45 -0.08 0.00 0.35 0.00 0.00 39.48 37.69 3hf9 n PHE 222 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 3hf9 s ARG 223 N -1.42 0.48 -0.19 -4.13 3.52 -0.86 -4.94 118.95 111.42 3hf9 s ARG 223 Ca 0.59 1.15 -0.16 0.00 -0.13 0.00 0.00 55.73 57.18 3hf9 s ARG 223 Cb -0.58 0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 33.17 3hf9 s ARG 223 CO 0.58 -0.20 0.40 1.03 -0.81 0.00 0.00 175.30 176.30 3hf9 s ARG 224 N 2.30 4.21 -1.27 5.12 0.52 -1.26 -1.89 118.95 126.67 3hf9 s ARG 224 Ca -0.06 0.22 -0.08 0.00 -0.52 0.00 0.00 55.73 55.29 3hf9 s ARG 224 Cb -0.10 -3.51 0.17 0.00 0.52 0.00 0.00 34.95 32.03 3hf9 s ARG 224 CO -0.16 0.02 1.94 -0.89 0.02 0.00 0.00 175.30 176.23 3hf9 n ILE 225 N 4.15 4.57 -0.08 1.52 5.41 -0.31 -4.80 119.36 129.83 3hf9 n ILE 225 Ca -0.09 -4.49 -0.14 0.00 1.00 0.00 0.00 62.75 59.03 3hf9 n ILE 225 Cb 0.51 -2.29 -0.05 0.00 -0.71 0.00 0.00 39.64 37.11 3hf9 n ILE 225 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3hf9 h THR 226 N 3.51 1.29 0.00 1.39 2.02 -1.94 -3.40 112.91 115.78 3hf9 h THR 226 Ca 0.44 -1.64 0.00 0.00 0.77 0.00 0.00 66.41 65.97 3hf9 h THR 226 Cb 0.57 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 3hf9 h THR 226 CO 1.58 0.53 0.00 0.61 0.37 0.00 0.00 175.52 178.61 3hf9 n GLY 227 N 0.33 1.34 0.35 2.16 0.00 -1.26 -4.87 105.19 103.24 3hf9 n GLY 227 Ca -0.05 -0.90 -0.01 0.00 0.00 0.00 0.00 46.02 45.06 3hf9 n GLY 227 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hf9 h SER 228 N 0.00 0.95 -0.64 1.61 4.64 -2.01 -2.12 113.55 115.99 3hf9 h SER 228 Ca 0.00 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 3hf9 h SER 228 Cb 0.00 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.82 3hf9 h SER 228 CO 0.00 0.74 0.36 0.00 -0.87 0.00 0.00 176.83 177.06 3hf9 h ALA 229 N 1.43 1.41 -0.78 5.18 0.00 -1.94 -2.12 119.26 122.43 3hf9 h ALA 229 Ca 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3hf9 h ALA 229 Cb -0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3hf9 h ALA 229 CO -0.05 0.49 0.44 1.25 0.00 0.00 0.00 179.25 181.38 3hf9 h LEU 230 N 0.91 0.96 -0.83 0.00 7.12 -1.63 -1.77 115.31 120.06 3hf9 h LEU 230 Ca 0.23 -0.08 -0.05 0.00 0.13 0.00 0.00 57.88 58.11 3hf9 h LEU 230 Cb 0.02 -0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 39.87 3hf9 h LEU 230 CO -0.04 0.77 0.28 0.06 -0.13 0.00 0.00 178.44 179.37 3hf9 h GLN 231 N 1.07 1.14 -0.90 1.25 3.07 -1.36 -2.70 115.11 116.69 3hf9 h GLN 231 Ca 0.28 -0.22 -0.01 0.00 0.09 0.00 0.00 58.65 58.79 3hf9 h GLN 231 Cb 0.00 -0.18 -0.04 0.00 0.08 0.00 0.00 27.48 27.34 3hf9 h GLN 231 CO -0.05 0.94 0.51 0.00 0.09 0.00 0.00 178.83 180.32 3hf9 h ALA 232 N 1.19 1.21 -0.02 0.06 0.00 -0.78 -3.52 119.26 117.41 3hf9 h ALA 232 Ca 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hf9 h ALA 232 Cb 0.25 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3hf9 h ALA 232 CO -0.02 0.65 0.00 1.28 0.00 0.00 0.00 179.25 181.16