#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hey n LYS 4 N 0.00 1.24 -0.15 0.11 4.01 -1.26 -3.05 118.16 119.06 1hey n LYS 4 Ca 0.00 -0.37 0.10 0.00 -0.51 0.00 0.00 58.31 57.53 1hey n LYS 4 Cb 0.00 -1.18 0.29 0.00 -0.51 0.00 0.00 35.03 33.63 1hey n LYS 4 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1hey n GLU 5 N -0.28 2.08 -2.23 1.97 -0.58 -1.26 -4.29 120.64 116.05 1hey n GLU 5 Ca 0.08 -1.64 -0.42 0.00 -0.42 0.00 0.00 57.16 54.76 1hey n GLU 5 Cb 0.11 -1.43 -0.03 0.00 -0.57 0.00 0.00 31.44 29.52 1hey n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1hey s LEU 6 N -1.43 4.36 -0.22 -4.62 2.96 -1.17 -4.94 118.68 113.63 1hey s LEU 6 Ca 0.34 2.24 -0.22 0.00 -0.22 0.00 0.00 54.13 56.28 1hey s LEU 6 Cb 0.19 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.28 1hey s LEU 6 CO 0.27 -0.62 0.68 -0.75 -1.32 0.00 0.00 176.35 174.61 1hey s LYS 7 N 1.22 4.19 0.14 1.98 2.20 -1.26 -4.61 119.74 123.60 1hey s LYS 7 Ca 0.63 0.69 -0.02 0.00 -0.36 0.00 0.00 55.97 56.91 1hey s LYS 7 Cb -0.35 -3.61 -0.05 0.00 -1.51 0.00 0.00 37.83 32.32 1hey s LYS 7 CO 0.30 -0.34 0.33 -0.06 -0.36 0.00 0.00 175.35 175.21 1hey s PHE 8 N 2.25 3.49 -0.13 4.03 0.40 -0.97 -0.56 117.98 126.50 1hey s PHE 8 Ca 0.30 0.37 -0.02 0.00 -0.60 0.00 0.00 56.93 56.98 1hey s PHE 8 Cb -0.16 -1.86 0.04 0.00 0.51 0.00 0.00 43.02 41.55 1hey s PHE 8 CO 0.10 0.46 -0.00 -1.17 0.70 0.00 0.00 175.22 175.31 1hey s LEU 9 N -2.88 0.96 -0.60 -0.37 2.96 -0.86 -2.43 118.68 115.46 1hey s LEU 9 Ca 0.38 -0.42 -0.16 0.00 -0.22 0.00 0.00 54.13 53.72 1hey s LEU 9 Cb -0.12 -0.58 0.15 0.00 0.50 0.00 0.00 46.19 46.14 1hey s LEU 9 CO 0.27 -0.22 0.56 -0.69 -1.32 0.00 0.00 176.35 174.95 1hey s VAL 10 N 1.87 5.28 0.23 1.68 1.01 -0.69 -1.18 120.40 128.60 1hey s VAL 10 Ca 0.03 -1.69 -0.19 0.00 0.00 0.00 0.00 61.98 60.13 1hey s VAL 10 Cb -0.14 -4.37 -0.08 0.00 0.00 0.00 0.00 36.38 31.78 1hey s VAL 10 CO -0.07 -0.91 0.72 -0.69 0.00 0.00 0.00 175.10 174.15 1hey s VAL 11 N 1.34 4.58 0.00 2.92 1.01 -0.06 -2.12 120.40 128.08 1hey s VAL 11 Ca 0.06 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.28 1hey s VAL 11 Cb -0.26 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1hey s VAL 11 CO 0.01 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1hey n GLY 12 N 0.60 -2.20 0.32 4.51 0.00 -1.03 -3.09 105.19 104.29 1hey n GLY 12 Ca -0.02 -1.77 0.04 0.00 0.00 0.00 0.00 46.02 44.28 1hey n GLY 12 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1hey h ASN 13 N 0.00 0.51 -1.29 1.61 -0.73 -1.87 -3.44 115.58 110.37 1hey h ASN 13 Ca 0.00 -0.01 -0.41 0.00 1.87 0.00 0.00 56.30 57.75 1hey h ASN 13 Cb 0.00 -0.13 -0.14 0.00 0.27 0.00 0.00 38.32 38.33 1hey h ASN 13 CO 0.00 0.37 -0.40 0.61 -0.37 0.00 0.00 177.43 177.64 1hey n GLY 14 N -1.47 1.51 3.86 1.57 0.00 -1.26 -4.95 105.19 104.44 1hey n GLY 14 Ca 0.04 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1hey n GLY 14 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hey s GLY 15 N -2.67 2.08 0.00 -0.02 0.00 -1.26 -0.92 107.32 104.53 1hey s GLY 15 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.71 1hey s GLY 15 CO 0.00 0.21 0.10 -1.30 0.00 0.00 0.00 173.10 172.11 1hey n THR 16 N -1.17 0.00 0.00 0.90 -2.24 0.25 -4.79 114.28 107.23 1hey n THR 16 Ca 0.04 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1hey n THR 16 Cb 0.54 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 1hey n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hey n GLY 17 N 0.42 3.19 0.13 3.38 0.00 -1.26 -2.94 105.19 108.10 1hey n GLY 17 Ca 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 46.02 45.40 1hey n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hey n LYS 18 N 0.00 1.06 -0.09 1.61 5.02 -1.26 -5.09 118.16 119.41 1hey n LYS 18 Ca 0.00 -1.31 0.00 0.00 -2.02 0.00 0.00 58.31 54.98 1hey n LYS 18 Cb 0.00 -0.84 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 1hey n LYS 18 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1hey n SER 19 N -0.43 0.00 -4.09 4.39 7.64 -1.26 -5.15 113.62 114.72 1hey n SER 19 Ca 0.03 -0.07 -0.15 0.00 1.01 0.00 0.00 58.87 59.69 1hey n SER 19 Cb 0.51 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.59 1hey n SER 19 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1hey s THR 20 N -2.82 0.72 0.25 0.44 -1.32 -1.26 0.86 115.64 112.52 1hey s THR 20 Ca 0.00 -1.07 -0.03 0.00 -1.21 0.00 0.00 61.69 59.38 1hey s THR 20 Cb 0.00 -0.74 0.23 0.00 -1.51 0.00 0.00 72.50 70.48 1hey s THR 20 CO 0.00 -0.27 1.72 0.58 -2.21 0.00 0.00 174.62 174.44 1hey h VAL 21 N 4.48 0.61 -0.30 5.08 2.07 -1.34 -0.97 116.25 125.89 1hey h VAL 21 Ca -0.37 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1hey h VAL 21 Cb 1.20 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1hey h VAL 21 CO 0.41 0.08 0.08 -0.09 0.02 0.00 0.00 177.57 178.07 1hey h ARG 22 N 0.42 0.42 -0.16 1.57 2.43 -1.98 -1.45 114.38 115.63 1hey h ARG 22 Ca 0.43 -0.06 -0.22 0.00 -0.81 0.00 0.00 59.98 59.32 1hey h ARG 22 Cb 0.69 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1hey h ARG 22 CO -0.43 0.39 -0.77 -0.91 -1.51 0.00 0.00 179.97 176.74 1hey h ASN 23 N 0.42 0.93 0.53 -3.80 4.21 -1.59 -2.92 115.58 113.37 1hey h ASN 23 Ca 0.10 -0.61 -0.12 0.00 1.21 0.00 0.00 56.30 56.89 1hey h ASN 23 Cb 0.16 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.07 1hey h ASN 23 CO -0.00 1.41 -0.54 -0.07 -1.29 0.00 0.00 177.43 176.93 1hey h LEU 24 N 0.54 0.02 -0.57 1.61 3.38 -1.26 -2.98 115.31 116.05 1hey h LEU 24 Ca -0.05 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1hey h LEU 24 Cb 1.40 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 1hey h LEU 24 CO 0.16 0.56 -0.29 -0.07 0.09 0.00 0.00 178.44 178.89 1hey h LEU 25 N 0.01 0.86 -1.94 1.67 3.38 -1.28 -2.97 115.31 115.04 1hey h LEU 25 Ca -0.00 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 1hey h LEU 25 Cb 0.97 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1hey h LEU 25 CO 0.07 1.09 -0.12 0.50 0.09 0.00 0.00 178.44 180.08 1hey h LYS 26 N 0.70 0.00 0.02 1.13 3.64 -1.35 0.10 116.57 120.81 1hey h LYS 26 Ca 0.08 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.23 1hey h LYS 26 Cb 0.83 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 1hey h LYS 26 CO 0.07 0.12 -1.16 0.93 -2.27 0.00 0.00 179.45 177.14 1hey h GLU 27 N 0.00 0.04 0.00 1.90 5.08 -1.51 -2.94 114.58 117.15 1hey h GLU 27 Ca -0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1hey h GLU 27 Cb 0.28 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1hey h GLU 27 CO 0.01 0.96 0.00 1.28 -1.00 0.00 0.00 179.01 180.26 1hey n LEU 28 N -3.33 0.52 0.00 1.33 4.77 -0.78 -4.88 117.00 114.63 1hey n LEU 28 Ca -0.04 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1hey n LEU 28 Cb 0.97 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1hey n LEU 28 CO 0.48 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1hey n GLY 29 N 0.81 0.98 3.37 -0.72 0.00 -0.77 -5.08 105.19 103.78 1hey n GLY 29 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 1hey n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hey s PHE 30 N -2.00 3.01 -0.12 1.61 0.08 0.28 -4.86 117.98 116.00 1hey s PHE 30 Ca 0.00 -1.00 0.17 0.00 0.12 0.00 0.00 56.93 56.22 1hey s PHE 30 Cb 0.00 -4.02 -0.15 0.00 -0.57 0.00 0.00 43.02 38.28 1hey s PHE 30 CO 0.00 -1.30 0.76 0.09 -0.10 0.00 0.00 175.22 174.67 1hey n ASN 31 N 6.29 0.79 -4.58 1.36 3.02 -1.26 -3.25 115.26 117.63 1hey n ASN 31 Ca -0.08 0.35 -0.40 0.00 -0.03 0.00 0.00 54.58 54.42 1hey n ASN 31 Cb 0.43 0.25 -0.01 0.00 -0.61 0.00 0.00 39.78 39.83 1hey n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1hey s ASN 32 N -5.74 6.42 0.01 6.41 3.84 -1.26 -4.93 114.94 119.69 1hey s ASN 32 Ca -0.04 -2.23 0.01 0.00 0.21 0.00 0.00 52.86 50.82 1hey s ASN 32 Cb 0.09 -2.58 -0.01 0.00 -0.55 0.00 0.00 41.25 38.20 1hey s ASN 32 CO 0.82 -1.61 -0.05 -0.69 -2.79 0.00 0.00 177.10 172.77 1hey s VAL 33 N 5.78 0.38 0.26 -5.21 1.01 -1.26 -2.29 120.40 119.07 1hey s VAL 33 Ca 0.57 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1hey s VAL 33 Cb 0.03 -0.36 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 1hey s VAL 33 CO 0.08 -0.03 -0.01 -1.61 0.00 0.00 0.00 175.10 173.54 1hey s GLU 34 N -0.47 1.43 0.23 2.72 2.02 -1.02 -4.98 118.70 118.63 1hey s GLU 34 Ca -0.01 -1.73 0.06 0.00 0.02 0.00 0.00 54.97 53.30 1hey s GLU 34 Cb -0.04 -0.77 -0.05 0.00 0.10 0.00 0.00 34.13 33.37 1hey s GLU 34 CO -0.00 -0.08 -0.08 0.16 0.02 0.00 0.00 175.26 175.28 1hey s ASP 35 N -3.36 2.36 0.04 -0.19 1.47 -1.26 -1.71 116.67 114.02 1hey s ASP 35 Ca 0.30 -1.12 -0.01 0.00 1.18 0.00 0.00 52.55 52.90 1hey s ASP 35 Cb 0.06 -0.10 -0.03 0.00 -0.34 0.00 0.00 42.92 42.51 1hey s ASP 35 CO 0.10 -0.33 -0.02 0.00 0.68 0.00 0.00 175.17 175.61 1hey s ALA 36 N -3.14 0.39 -0.12 2.11 0.00 -0.90 -4.89 121.76 115.22 1hey s ALA 36 Ca 0.25 -1.05 0.20 0.00 0.00 0.00 0.00 51.96 51.36 1hey s ALA 36 Cb 0.03 0.25 -0.27 0.00 0.00 0.00 0.00 23.12 23.13 1hey s ALA 36 CO 0.08 -0.33 0.35 -0.85 0.00 0.00 0.00 175.76 175.01 1hey n GLU 37 N 0.43 0.67 -3.83 0.00 0.28 -1.26 -2.48 120.64 114.45 1hey n GLU 37 Ca -0.16 -0.06 -0.09 0.00 -0.16 0.00 0.00 57.16 56.69 1hey n GLU 37 Cb 0.60 -1.56 0.01 0.00 1.43 0.00 0.00 31.44 31.92 1hey n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1hey s ASP 38 N -5.12 -0.00 0.41 -1.84 1.47 -1.26 -3.90 116.67 106.42 1hey s ASP 38 Ca -0.08 -1.08 0.12 0.00 1.18 0.00 0.00 52.55 52.69 1hey s ASP 38 Cb 0.10 0.83 0.96 0.00 -0.34 0.00 0.00 42.92 44.46 1hey s ASP 38 CO 0.86 -1.62 1.97 1.23 0.68 0.00 0.00 175.17 178.28 1hey h GLY 39 N 2.01 0.70 1.07 2.12 0.00 -1.61 -1.27 103.07 106.08 1hey h GLY 39 Ca -0.30 -0.20 -0.16 0.00 0.00 0.00 0.00 47.33 46.66 1hey h GLY 39 CO 0.38 0.12 -0.47 -2.08 0.00 0.00 0.00 176.54 174.49 1hey h VAL 40 N 0.50 1.29 -0.59 4.60 2.07 -1.88 -1.13 116.25 121.11 1hey h VAL 40 Ca 0.30 -1.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.09 1hey h VAL 40 Cb 0.51 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1hey h VAL 40 CO -0.09 0.54 0.12 -0.78 0.02 0.00 0.00 177.57 177.38 1hey h ASP 41 N 0.55 0.91 0.26 0.57 3.58 -1.89 -2.79 116.42 117.61 1hey h ASP 41 Ca 0.02 -0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.22 1hey h ASP 41 Cb 1.08 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 1hey h ASP 41 CO 0.11 0.92 -0.23 0.00 -2.88 0.00 0.00 179.24 177.15 1hey h ALA 42 N 1.02 -0.49 -0.51 -0.78 0.00 -1.06 -2.46 119.26 114.98 1hey h ALA 42 Ca 0.18 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1hey h ALA 42 Cb 0.38 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1hey h ALA 42 CO 0.01 -0.80 0.34 -0.07 0.00 0.00 0.00 179.25 178.73 1hey h LEU 43 N -0.51 0.32 0.05 0.00 3.38 -1.10 -1.16 115.31 116.28 1hey h LEU 43 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1hey h LEU 43 Cb 0.46 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1hey h LEU 43 CO -0.03 0.20 -0.02 -1.13 0.09 0.00 0.00 178.44 177.54 1hey h ASN 44 N 0.36 -0.06 -0.26 -0.43 -1.24 -1.19 -3.05 115.58 109.71 1hey h ASN 44 Ca 0.23 -0.35 -0.03 0.00 0.71 0.00 0.00 56.30 56.86 1hey h ASN 44 Cb 0.45 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.49 1hey h ASN 44 CO -0.06 0.33 0.09 0.11 -1.29 0.00 0.00 177.43 176.61 1hey h LYS 45 N -0.45 0.47 0.00 6.67 1.57 -1.10 -2.00 116.57 121.73 1hey h LYS 45 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1hey h LYS 45 Cb 0.40 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1hey h LYS 45 CO 0.01 0.43 0.00 -0.07 -0.57 0.00 0.00 179.45 179.25 1hey h LEU 46 N 0.47 0.00 -0.16 2.94 3.38 -1.11 -1.14 115.31 119.69 1hey h LEU 46 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1hey h LEU 46 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1hey h LEU 46 CO -0.01 0.00 0.00 1.56 0.09 0.00 0.00 178.44 180.08 1hey h GLN 47 N 0.00 0.00 0.00 1.13 1.08 -1.36 -2.70 115.11 113.26 1hey h GLN 47 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1hey h GLN 47 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1hey h GLN 47 CO 0.00 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.88 1hey h ALA 48 N 2.36 1.00 -2.74 3.87 0.00 -1.33 -3.48 119.26 118.93 1hey h ALA 48 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.20 1hey h ALA 48 Cb 0.73 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.39 1hey h ALA 48 CO 0.00 0.00 -0.84 0.41 0.00 0.00 0.00 179.25 178.82 1hey n GLY 49 N -0.00 -2.78 0.00 0.00 0.00 -1.02 -4.98 105.19 96.40 1hey n GLY 49 Ca 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1hey n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hey n GLY 50 N -3.93 0.69 3.94 -0.02 0.00 -1.26 -5.04 105.19 99.57 1hey n GLY 50 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1hey n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hey s TYR 51 N -2.00 3.28 0.00 1.61 2.02 -1.26 -4.69 117.35 116.31 1hey s TYR 51 Ca 0.00 0.33 0.00 0.00 -0.37 0.00 0.00 57.07 57.03 1hey s TYR 51 Cb 0.00 -2.31 0.00 0.00 -0.40 0.00 0.00 41.96 39.25 1hey s TYR 51 CO 0.00 -0.35 0.10 0.41 -1.57 0.00 0.00 175.55 174.14 1hey n GLY 52 N -2.11 0.52 3.61 0.71 0.00 0.27 -4.91 105.19 103.28 1hey n GLY 52 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1hey n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1hey s PHE 53 N -0.16 -0.59 0.03 1.61 2.19 -0.94 -4.24 117.98 115.89 1hey s PHE 53 Ca 0.00 1.32 0.06 0.00 0.33 0.00 0.00 56.93 58.64 1hey s PHE 53 Cb 0.00 0.35 -0.02 0.00 -1.31 0.00 0.00 43.02 42.04 1hey s PHE 53 CO 0.00 -0.36 -0.17 0.08 1.83 0.00 0.00 175.22 176.60 1hey s VAL 54 N -0.16 1.37 -0.14 3.12 1.01 -0.69 -2.04 120.40 122.87 1hey s VAL 54 Ca -0.01 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 1hey s VAL 54 Cb -0.03 -1.20 0.04 0.00 0.00 0.00 0.00 36.38 35.18 1hey s VAL 54 CO -0.00 0.15 -0.05 -0.63 0.00 0.00 0.00 175.10 174.57 1hey s ILE 55 N -0.74 1.00 0.10 2.22 1.01 -0.32 -2.23 121.20 122.23 1hey s ILE 55 Ca 0.05 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.31 1hey s ILE 55 Cb -0.08 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 1hey s ILE 55 CO 0.01 0.21 -0.14 -0.55 0.00 0.00 0.00 174.94 174.46 1hey s SER 56 N 1.70 1.88 0.51 3.58 0.15 -0.55 -0.88 113.70 120.09 1hey s SER 56 Ca 0.02 -0.72 -0.17 0.00 0.70 0.00 0.00 55.95 55.79 1hey s SER 56 Cb -0.14 -0.06 -0.08 0.00 -1.71 0.00 0.00 66.02 64.03 1hey s SER 56 CO -0.08 -0.11 0.99 -1.81 1.20 0.00 0.00 173.24 173.43 1hey s ASP 57 N -2.11 6.62 -0.12 5.45 1.11 -1.18 -0.28 116.67 126.16 1hey s ASP 57 Ca 0.04 1.58 -0.18 0.00 0.18 0.00 0.00 52.55 54.17 1hey s ASP 57 Cb -0.07 -2.51 -0.16 0.00 1.07 0.00 0.00 42.92 41.25 1hey s ASP 57 CO 0.03 -0.59 0.50 -0.25 1.18 0.00 0.00 175.17 176.04 1hey h TRP 58 N 0.95 -0.01 -3.59 4.23 2.91 -1.72 -3.24 115.95 115.47 1hey h TRP 58 Ca -0.47 -0.00 -0.64 0.00 1.13 0.00 0.00 58.89 58.91 1hey h TRP 58 Cb 1.19 0.00 -0.14 0.00 -0.51 0.00 0.00 29.16 29.70 1hey h TRP 58 CO 0.64 0.59 0.02 -0.80 -1.03 0.00 0.00 178.44 177.86 1hey s ASN 59 N -5.93 6.36 -0.00 2.65 -0.87 -1.26 -1.50 114.94 114.40 1hey s ASN 59 Ca -0.12 0.06 -0.11 0.00 -1.57 0.00 0.00 52.86 51.13 1hey s ASN 59 Cb -0.02 -2.29 0.01 0.00 -0.02 0.00 0.00 41.25 38.93 1hey s ASN 59 CO 0.43 -0.51 0.21 -0.04 -2.57 0.00 0.00 177.10 174.62 1hey s MET 60 N 2.50 0.58 0.70 -0.60 -1.94 -1.26 -4.88 119.30 114.40 1hey s MET 60 Ca 0.21 -0.33 -0.13 0.00 -1.71 0.00 0.00 55.69 53.73 1hey s MET 60 Cb -0.15 0.25 0.02 0.00 2.01 0.00 0.00 34.83 36.96 1hey s MET 60 CO 0.14 -0.15 1.09 -1.25 -0.01 0.00 0.00 175.02 174.83 1hey s PRO 61 N -1.46 2.68 0.00 2.03 0.04 -1.26 -4.02 135.00 133.00 1hey s PRO 61 Ca -0.14 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1hey s PRO 61 Cb -0.06 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1hey s PRO 61 CO 0.02 -1.32 0.00 0.09 0.04 0.00 0.00 177.00 175.83 1hey n ASN 62 N -2.87 0.00 -3.68 6.66 3.02 -1.26 -4.40 115.26 112.73 1hey n ASN 62 Ca 0.09 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.52 1hey n ASN 62 Cb 0.53 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.57 1hey n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1hey s MET 63 N 0.00 0.19 0.77 3.52 1.75 -1.26 -4.93 119.30 119.33 1hey s MET 63 Ca 0.00 0.72 -0.10 0.00 -1.25 0.00 0.00 55.69 55.06 1hey s MET 63 Cb 0.00 -0.03 0.17 0.00 2.84 0.00 0.00 34.83 37.82 1hey s MET 63 CO 0.00 -0.25 1.05 -0.40 -0.65 0.00 0.00 175.02 174.78 1hey n ASP 64 N 5.03 0.37 -0.22 1.11 5.68 -1.26 -2.02 116.55 125.24 1hey n ASP 64 Ca -0.12 -1.56 -0.07 0.00 -0.50 0.00 0.00 54.79 52.55 1hey n ASP 64 Cb 0.51 -0.78 0.04 0.00 -1.14 0.00 0.00 41.12 39.75 1hey n ASP 64 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1hey h GLY 65 N -1.22 0.96 0.94 6.12 0.00 -1.29 -2.35 103.07 106.23 1hey h GLY 65 Ca -0.34 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.49 1hey h GLY 65 CO 0.27 0.45 0.14 -2.00 0.00 0.00 0.00 176.54 175.40 1hey h LEU 66 N 0.86 0.56 -0.57 3.11 5.85 -1.86 -1.20 115.31 122.07 1hey h LEU 66 Ca 0.22 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1hey h LEU 66 Cb 0.11 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1hey h LEU 66 CO -0.03 0.60 0.04 -0.08 -0.34 0.00 0.00 178.44 178.64 1hey h GLU 67 N 0.49 0.97 0.18 1.25 4.81 -1.95 -1.25 114.58 119.09 1hey h GLU 67 Ca 0.13 -0.29 0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1hey h GLU 67 Cb 0.23 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1hey h GLU 67 CO -0.01 0.95 -0.32 1.25 -0.73 0.00 0.00 179.01 180.16 1hey h LEU 68 N 0.86 -0.89 -0.83 1.64 5.85 -1.25 -2.36 115.31 118.33 1hey h LEU 68 Ca 0.17 0.10 0.09 0.00 0.84 0.00 0.00 57.88 59.07 1hey h LEU 68 Cb 0.49 0.33 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 1hey h LEU 68 CO 0.02 -0.42 0.48 0.25 -0.34 0.00 0.00 178.44 178.43 1hey h LEU 69 N -0.58 0.69 -1.35 2.25 5.85 -1.01 -0.95 115.31 120.22 1hey h LEU 69 Ca 0.02 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1hey h LEU 69 Cb 0.58 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1hey h LEU 69 CO -0.15 0.40 -0.24 0.11 -0.34 0.00 0.00 178.44 178.22 1hey h LYS 70 N 0.81 0.00 0.11 1.25 1.57 -1.08 -2.39 116.57 116.83 1hey h LYS 70 Ca 0.40 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.88 1hey h LYS 70 Cb 0.35 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.68 1hey h LYS 70 CO -0.24 0.24 -1.22 1.15 -0.57 0.00 0.00 179.45 178.81 1hey h THR 71 N 0.00 1.29 -0.26 -0.16 2.02 -0.67 -2.58 112.91 112.56 1hey h THR 71 Ca -0.00 -2.46 -0.13 0.00 0.77 0.00 0.00 66.41 64.58 1hey h THR 71 Cb 0.64 2.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.70 1hey h THR 71 CO 0.03 0.75 -0.40 0.40 0.37 0.00 0.00 175.52 176.67 1hey h ILE 72 N 0.28 1.30 -0.05 3.11 2.04 -1.17 -2.32 117.51 120.69 1hey h ILE 72 Ca -0.18 -1.56 -0.09 0.00 1.00 0.00 0.00 64.86 64.03 1hey h ILE 72 Cb 1.89 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.49 1hey h ILE 72 CO 0.23 0.50 -0.37 0.03 0.00 0.00 0.00 178.15 178.54 1hey h ARG 73 N 0.50 0.09 0.00 2.37 2.47 -1.47 -2.98 114.38 115.36 1hey h ARG 73 Ca 0.04 -0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 58.66 1hey h ARG 73 Cb 0.91 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.21 1hey h ARG 73 CO 0.08 0.45 -0.78 0.00 0.56 0.00 0.00 179.97 180.28 1hey h ALA 74 N 1.55 0.68 -1.98 0.04 0.00 -1.37 -3.42 119.26 114.75 1hey h ALA 74 Ca 0.01 -0.31 -0.57 0.00 0.00 0.00 0.00 54.91 54.04 1hey h ALA 74 Cb 0.69 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1hey h ALA 74 CO 0.05 0.37 1.15 0.34 0.00 0.00 0.00 179.25 181.16 1hey s ASP 75 N -5.89 6.29 0.66 0.00 -1.08 -0.88 -4.84 116.67 110.93 1hey s ASP 75 Ca 0.02 1.48 0.40 0.00 -0.52 0.00 0.00 52.55 53.93 1hey s ASP 75 Cb 0.08 -2.53 2.15 0.00 -1.46 0.00 0.00 42.92 41.16 1hey s ASP 75 CO 0.76 -1.35 2.21 1.23 0.52 0.00 0.00 175.17 178.54 1hey h GLY 76 N 12.07 0.00 1.48 2.66 0.00 -1.86 -0.14 103.07 117.29 1hey h GLY 76 Ca -0.33 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.71 1hey h GLY 76 CO 1.01 0.00 -1.35 0.00 0.00 0.00 0.00 176.54 176.20 1hey h ALA 77 N 1.78 0.16 0.00 3.60 0.00 -1.91 -3.38 119.26 119.50 1hey h ALA 77 Ca 0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 54.91 53.91 1hey h ALA 77 Cb 0.22 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1hey h ALA 77 CO 0.00 1.04 -0.47 0.00 0.00 0.00 0.00 179.25 179.82 1hey n MET 78 N -3.50 1.05 0.29 0.00 0.00 -0.94 -4.85 117.12 109.17 1hey n MET 78 Ca -0.11 -2.64 0.18 0.00 0.00 0.00 0.00 57.70 55.12 1hey n MET 78 Cb 1.03 -1.18 0.76 0.00 0.00 0.00 0.00 33.22 33.83 1hey n MET 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1hey h SER 79 N 0.64 0.00 -0.36 3.17 4.64 -0.89 -2.62 113.55 118.13 1hey h SER 79 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1hey h SER 79 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1hey h SER 79 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1hey n ALA 80 N -2.09 2.45 -2.17 5.18 0.00 -1.26 -4.66 120.51 117.96 1hey n ALA 80 Ca 0.00 -0.76 -0.42 0.00 0.00 0.00 0.00 53.44 52.26 1hey n ALA 80 Cb 0.28 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 1hey n ALA 80 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1hey s LEU 81 N -1.25 4.36 0.07 0.00 2.96 -0.99 -5.00 118.68 118.83 1hey s LEU 81 Ca 0.33 2.30 -0.31 0.00 -0.22 0.00 0.00 54.13 56.23 1hey s LEU 81 Cb 0.18 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 43.22 1hey s LEU 81 CO 0.25 -0.66 1.30 -2.84 -1.32 0.00 0.00 176.35 173.07 1hey s PRO 82 N 1.30 4.36 -0.14 0.98 0.02 -1.26 -4.98 135.00 135.29 1hey s PRO 82 Ca 0.65 1.91 -0.00 0.00 0.02 0.00 0.00 61.00 63.57 1hey s PRO 82 Cb -0.36 -3.35 0.03 0.00 0.02 0.00 0.00 34.50 30.84 1hey s PRO 82 CO 0.30 -0.38 -0.07 0.08 -0.33 0.00 0.00 177.00 176.59 1hey s VAL 83 N 1.33 1.11 -0.20 3.83 1.01 -1.26 -1.70 120.40 124.51 1hey s VAL 83 Ca 0.61 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 62.10 1hey s VAL 83 Cb -0.32 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1hey s VAL 83 CO 0.29 0.29 0.01 -0.22 0.00 0.00 0.00 175.10 175.47 1hey s LEU 84 N 1.66 3.30 0.16 3.92 2.96 -0.95 -0.44 118.68 129.30 1hey s LEU 84 Ca 0.03 -0.19 -0.20 0.00 -0.22 0.00 0.00 54.13 53.56 1hey s LEU 84 Cb -0.14 -1.84 -0.08 0.00 0.50 0.00 0.00 46.19 44.64 1hey s LEU 84 CO -0.08 0.06 0.67 -0.04 -1.32 0.00 0.00 176.35 175.64 1hey s MET 85 N 1.01 4.26 -0.08 1.98 -1.94 -1.06 -1.48 119.30 121.99 1hey s MET 85 Ca 0.02 0.83 0.02 0.00 -1.71 0.00 0.00 55.69 54.85 1hey s MET 85 Cb -0.14 -3.05 0.01 0.00 2.01 0.00 0.00 34.83 33.66 1hey s MET 85 CO 0.02 0.51 -0.13 0.08 -0.01 0.00 0.00 175.02 175.48 1hey s VAL 86 N -1.34 1.23 0.21 -6.03 1.01 0.61 -1.70 120.40 114.40 1hey s VAL 86 Ca 0.37 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 1hey s VAL 86 Cb -0.18 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 1hey s VAL 86 CO 0.21 0.38 0.33 -0.89 0.00 0.00 0.00 175.10 175.14 1hey s THR 87 N 0.77 0.02 0.00 3.92 2.01 -0.86 -1.71 115.64 119.79 1hey s THR 87 Ca -0.12 -1.55 0.00 0.00 0.31 0.00 0.00 61.69 60.33 1hey s THR 87 Cb -0.16 -2.17 0.00 0.00 0.01 0.00 0.00 72.50 70.18 1hey s THR 87 CO 0.02 -0.09 0.55 0.00 -0.69 0.00 0.00 174.62 174.42 1hey n ALA 88 N -0.30 2.16 -3.81 7.40 0.00 -1.26 -0.38 120.51 124.31 1hey n ALA 88 Ca -0.02 -0.55 -0.29 0.00 0.00 0.00 0.00 53.44 52.57 1hey n ALA 88 Cb 0.63 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.92 1hey n ALA 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1hey s GLU 89 N -0.19 1.03 -0.37 0.00 2.56 -1.26 -4.86 118.70 115.61 1hey s GLU 89 Ca 0.00 -0.80 -0.25 0.00 0.00 0.00 0.00 54.97 53.92 1hey s GLU 89 Cb 0.00 -2.29 0.01 0.00 2.00 0.00 0.00 34.13 33.86 1hey s GLU 89 CO 0.00 -0.71 0.91 0.00 -0.56 0.00 0.00 175.26 174.90 1hey s ALA 90 N 1.62 3.41 -0.08 6.30 0.00 -1.26 -5.03 121.76 126.72 1hey s ALA 90 Ca -0.00 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.53 1hey s ALA 90 Cb -0.18 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1hey s ALA 90 CO -0.11 -1.58 -0.19 0.21 0.00 0.00 0.00 175.76 174.09 1hey s LYS 91 N 3.42 2.35 0.10 0.00 2.47 -1.26 -5.03 119.74 121.80 1hey s LYS 91 Ca 0.37 -0.68 -0.26 0.00 -1.56 0.00 0.00 55.97 53.84 1hey s LYS 91 Cb -0.12 -1.86 -0.10 0.00 -1.46 0.00 0.00 37.83 34.28 1hey s LYS 91 CO 0.18 0.15 1.66 0.87 0.16 0.00 0.00 175.35 178.38 1hey h LYS 92 N 6.67 -0.37 -0.99 4.03 1.57 -1.99 -1.55 116.57 123.94 1hey h LYS 92 Ca -0.26 0.03 0.26 0.00 -1.87 0.00 0.00 60.65 58.80 1hey h LYS 92 Cb 1.21 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 33.53 1hey h LYS 92 CO 0.47 -0.25 0.67 1.49 -0.57 0.00 0.00 179.45 181.26 1hey h GLU 93 N -0.39 0.26 0.13 3.15 4.81 -1.99 0.14 114.58 120.69 1hey h GLU 93 Ca 0.02 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 1hey h GLU 93 Cb 0.39 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.73 1hey h GLU 93 CO -0.08 0.17 -1.24 -0.91 -0.73 0.00 0.00 179.01 176.21 1hey h ASN 94 N 0.27 0.71 -0.39 1.04 2.35 -1.83 -2.65 115.58 115.07 1hey h ASN 94 Ca 0.52 -0.68 -0.12 0.00 -0.55 0.00 0.00 56.30 55.46 1hey h ASN 94 Cb 1.54 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 1hey h ASN 94 CO -0.16 1.51 -0.22 0.40 -1.65 0.00 0.00 177.43 177.31 1hey h ILE 95 N 0.20 1.27 0.22 2.81 2.04 0.13 -0.87 117.51 123.31 1hey h ILE 95 Ca -0.17 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.31 1hey h ILE 95 Cb 1.93 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 1hey h ILE 95 CO 0.23 0.47 -0.11 0.40 0.00 0.00 0.00 178.15 179.13 1hey h ILE 96 N 0.78 0.85 -0.73 -0.67 2.04 -0.92 -2.61 117.51 116.25 1hey h ILE 96 Ca 0.10 -0.48 0.14 0.00 1.00 0.00 0.00 64.86 65.62 1hey h ILE 96 Cb 0.77 1.12 -0.09 0.00 -0.74 0.00 0.00 36.82 37.88 1hey h ILE 96 CO 0.06 0.11 0.26 0.00 0.00 0.00 0.00 178.15 178.58 1hey h ALA 97 N 0.16 0.99 -0.16 1.87 0.00 -1.42 -0.80 119.26 119.91 1hey h ALA 97 Ca -0.03 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1hey h ALA 97 Cb 0.40 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1hey h ALA 97 CO 0.05 -0.24 -0.26 0.00 0.00 0.00 0.00 179.25 178.80 1hey h ALA 98 N 1.54 1.28 0.04 0.00 0.00 -1.12 -1.92 119.26 119.08 1hey h ALA 98 Ca 0.40 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1hey h ALA 98 Cb 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1hey h ALA 98 CO -0.41 0.49 -0.02 0.00 0.00 0.00 0.00 179.25 179.30 1hey h ALA 99 N 1.48 -0.05 0.00 0.00 0.00 -0.77 -0.58 119.26 119.34 1hey h ALA 99 Ca 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1hey h ALA 99 Cb 0.60 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1hey h ALA 99 CO 0.04 -0.32 -0.16 1.96 0.00 0.00 0.00 179.25 180.77 1hey h GLN 100 N -0.48 0.00 0.00 0.00 1.08 -1.43 -2.15 115.11 112.13 1hey h GLN 100 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1hey h GLN 100 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1hey h GLN 100 CO 0.01 0.16 -0.09 0.00 -0.95 0.00 0.00 178.83 177.96 1hey n ALA 101 N -2.20 2.47 -0.11 3.87 0.00 -0.72 -4.96 120.51 118.85 1hey n ALA 101 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1hey n ALA 101 Cb 0.38 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1hey n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hey n GLY 102 N 1.43 1.69 3.82 0.00 0.00 -0.81 -4.67 105.19 106.66 1hey n GLY 102 Ca 0.06 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1hey n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hey s ALA 103 N -2.00 2.78 -1.54 4.61 0.00 -0.28 -4.89 121.76 120.44 1hey s ALA 103 Ca 0.00 0.20 0.24 0.00 0.00 0.00 0.00 51.96 52.40 1hey s ALA 103 Cb 0.00 -3.18 0.37 0.00 0.00 0.00 0.00 23.12 20.31 1hey s ALA 103 CO 0.00 -0.92 1.32 0.43 0.00 0.00 0.00 175.76 176.59 1hey n SER 104 N -2.52 1.14 0.00 0.00 7.64 0.42 -4.86 113.62 115.44 1hey n SER 104 Ca 0.08 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 59.05 1hey n SER 104 Cb 0.53 0.37 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 1hey n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hey n GLY 105 N 1.42 -0.91 3.47 0.23 0.00 -1.23 -4.88 105.19 103.28 1hey n GLY 105 Ca 0.09 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 1hey n GLY 105 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1hey s TYR 106 N -2.00 -0.71 -0.02 1.61 6.14 -1.26 -2.55 117.35 118.56 1hey s TYR 106 Ca 0.00 1.61 -0.01 0.00 0.64 0.00 0.00 57.07 59.30 1hey s TYR 106 Cb 0.00 0.31 0.01 0.00 0.42 0.00 0.00 41.96 42.70 1hey s TYR 106 CO 0.00 -0.35 0.05 0.54 0.64 0.00 0.00 175.55 176.42 1hey s VAL 107 N 0.78 -0.01 -0.21 3.14 0.11 -0.69 -4.96 120.40 118.55 1hey s VAL 107 Ca -0.04 0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 58.99 1hey s VAL 107 Cb -0.05 -0.08 -0.03 0.00 -1.53 0.00 0.00 36.38 34.69 1hey s VAL 107 CO -0.06 0.02 0.04 -0.69 -3.33 0.00 0.00 175.10 171.08 1hey s VAL 108 N 0.27 4.31 0.58 2.04 1.01 -1.26 -2.04 120.40 125.31 1hey s VAL 108 Ca -0.02 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 1hey s VAL 108 Cb -0.03 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1hey s VAL 108 CO -0.01 0.40 1.05 -0.54 0.00 0.00 0.00 175.10 176.01 1hey s LYS 109 N 1.08 3.38 0.49 2.72 1.02 0.48 -4.21 119.74 124.70 1hey s LYS 109 Ca 0.03 1.22 -0.13 0.00 0.02 0.00 0.00 55.97 57.11 1hey s LYS 109 Cb -0.14 -2.04 -0.07 0.00 -0.52 0.00 0.00 37.83 35.06 1hey s LYS 109 CO 0.03 -0.77 0.91 -1.25 -0.92 0.00 0.00 175.35 173.35 1hey s PRO 110 N -4.00 3.83 0.17 -1.68 0.04 -1.26 -4.71 135.00 127.40 1hey s PRO 110 Ca 0.64 0.73 -0.04 0.00 0.04 0.00 0.00 61.00 62.37 1hey s PRO 110 Cb -0.16 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 1hey s PRO 110 CO 0.35 -0.22 0.18 -0.59 0.04 0.00 0.00 177.00 176.76 1hey s PHE 111 N -2.60 0.78 0.49 0.56 -0.12 -1.15 -5.05 117.98 110.89 1hey s PHE 111 Ca 0.55 -1.11 0.02 0.00 -0.05 0.00 0.00 56.93 56.35 1hey s PHE 111 Cb -0.10 -0.33 0.02 0.00 -0.63 0.00 0.00 43.02 41.98 1hey s PHE 111 CO 0.34 -0.66 0.17 0.25 -0.05 0.00 0.00 175.22 175.27 1hey n THR 112 N -0.21 0.00 -0.00 -4.49 -2.24 -1.26 -4.82 114.28 101.26 1hey n THR 112 Ca -0.03 -2.16 0.01 0.00 -2.27 0.00 0.00 64.05 59.60 1hey n THR 112 Cb 0.64 0.23 0.34 0.00 -2.10 0.00 0.00 70.33 69.44 1hey n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hey h ALA 113 N 1.00 1.48 0.20 6.98 0.00 -2.00 -2.67 119.26 124.24 1hey h ALA 113 Ca -0.37 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1hey h ALA 113 Cb 1.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1hey h ALA 113 CO 0.59 0.39 -0.36 0.00 0.00 0.00 0.00 179.25 179.88 1hey h ALA 114 N 1.58 -0.93 -0.69 0.00 0.00 -1.99 -2.38 119.26 114.86 1hey h ALA 114 Ca 0.12 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.05 1hey h ALA 114 Cb 0.20 0.68 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 1hey h ALA 114 CO -0.00 -0.99 0.27 1.15 0.00 0.00 0.00 179.25 179.67 1hey h THR 115 N -0.59 0.72 -0.38 0.00 2.02 -1.94 -1.75 112.91 110.98 1hey h THR 115 Ca -0.02 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 1hey h THR 115 Cb 0.55 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1hey h THR 115 CO -0.13 0.08 0.11 0.25 0.37 0.00 0.00 175.52 176.20 1hey h LEU 116 N 0.44 0.51 -0.40 2.58 5.85 -1.37 -1.54 115.31 121.37 1hey h LEU 116 Ca 0.36 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.93 1hey h LEU 116 Cb 0.50 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1hey h LEU 116 CO -0.36 0.50 -0.09 -0.08 -0.34 0.00 0.00 178.44 178.08 1hey h GLU 117 N 0.55 0.77 -0.41 1.25 4.81 -0.79 0.13 114.58 120.90 1hey h GLU 117 Ca 0.13 -0.29 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 1hey h GLU 117 Cb 0.19 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1hey h GLU 117 CO -0.01 0.90 0.14 1.49 -0.73 0.00 0.00 179.01 180.81 1hey h GLU 118 N 0.59 0.62 0.59 1.92 4.57 -1.13 -1.95 114.58 119.79 1hey h GLU 118 Ca 0.10 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1hey h GLU 118 Cb 0.61 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1hey h GLU 118 CO 0.04 0.61 -0.44 0.87 -1.18 0.00 0.00 179.01 178.91 1hey h LYS 119 N 0.51 -0.95 -0.54 1.92 6.56 -1.13 -1.37 116.57 121.57 1hey h LYS 119 Ca 0.13 0.06 0.11 0.00 -1.06 0.00 0.00 60.65 59.90 1hey h LYS 119 Cb 0.23 0.22 -0.09 0.00 -0.57 0.00 0.00 32.23 32.02 1hey h LYS 119 CO -0.01 -0.63 -0.01 -0.07 -2.06 0.00 0.00 179.45 176.67 1hey h LEU 120 N -0.99 -0.25 -0.32 2.94 3.38 -0.77 -2.37 115.31 116.93 1hey h LEU 120 Ca -0.08 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1hey h LEU 120 Cb 0.82 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1hey h LEU 120 CO 0.03 -0.09 0.11 0.78 0.09 0.00 0.00 178.44 179.36 1hey h ASN 121 N 0.11 0.13 -0.42 -0.43 2.35 -1.22 -0.32 115.58 115.78 1hey h ASN 121 Ca 0.27 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1hey h ASN 121 Cb 0.42 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 1hey h ASN 121 CO -0.46 0.11 0.27 0.11 -1.65 0.00 0.00 177.43 175.81 1hey h LYS 122 N 0.26 0.57 0.03 0.81 1.57 -0.83 -0.04 116.57 118.94 1hey h LYS 122 Ca 0.14 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.65 1hey h LYS 122 Cb 0.11 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1hey h LYS 122 CO -0.14 0.39 -1.01 0.82 -0.57 0.00 0.00 179.45 178.95 1hey h ILE 123 N 0.58 1.43 -0.46 1.86 2.04 -0.87 -1.59 117.51 120.50 1hey h ILE 123 Ca 0.16 -2.59 -0.05 0.00 1.00 0.00 0.00 64.86 63.37 1hey h ILE 123 Cb -0.04 2.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 1hey h ILE 123 CO -0.03 0.77 0.10 -0.26 0.00 0.00 0.00 178.15 178.72 1hey h PHE 124 N 0.19 0.79 0.13 1.37 0.04 -0.21 -1.82 116.94 117.43 1hey h PHE 124 Ca -0.09 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.57 1hey h PHE 124 Cb 1.66 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 39.59 1hey h PHE 124 CO 0.06 0.73 -0.06 0.93 -0.60 0.00 0.00 178.31 179.37 1hey h GLU 125 N 0.62 -0.17 0.00 1.51 5.08 -0.99 0.29 114.58 120.92 1hey h GLU 125 Ca 0.14 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1hey h GLU 125 Cb 0.35 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1hey h GLU 125 CO 0.00 0.07 0.00 0.36 -1.00 0.00 0.00 179.01 178.45 1hey n LYS 126 N -5.06 0.15 -0.00 2.33 2.85 -0.60 -1.64 118.16 116.18 1hey n LYS 126 Ca -0.09 0.42 0.10 0.00 -1.05 0.00 0.00 58.31 57.69 1hey n LYS 126 Cb 0.18 -1.81 -0.13 0.00 -0.65 0.00 0.00 35.03 32.63 1hey n LYS 126 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1hey n LEU 127 N -2.10 0.80 -2.63 -5.58 4.77 -0.69 -5.03 117.00 106.55 1hey n LEU 127 Ca 0.02 -0.41 -0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1hey n LEU 127 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1hey n LEU 127 CO 0.17 0.20 0.25 0.61 -1.33 0.00 0.00 177.39 177.29 1hey n GLY 128 N 1.45 -0.98 0.00 -0.72 0.00 0.91 -5.06 105.19 100.79 1hey n GLY 128 Ca 0.03 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1hey n GLY 128 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47