#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cye n SER 2 N 0.00 2.46 -4.57 2.89 2.88 -1.26 -4.89 113.62 111.13 1cye n SER 2 Ca 0.00 0.52 -0.36 0.00 -1.33 0.00 0.00 58.87 57.70 1cye n SER 2 Cb 0.00 -1.30 -0.03 0.00 -0.75 0.00 0.00 64.21 62.13 1cye n SER 2 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1cye s ASP 3 N 6.66 6.05 0.55 -3.46 -1.08 -1.26 -4.86 116.67 119.26 1cye s ASP 3 Ca 1.05 -1.58 0.26 0.00 -0.52 0.00 0.00 52.55 51.76 1cye s ASP 3 Cb -0.80 -2.57 1.45 0.00 -1.46 0.00 0.00 42.92 39.54 1cye s ASP 3 CO 0.49 -1.95 2.00 0.11 0.52 0.00 0.00 175.17 176.34 1cye h LYS 4 N 9.52 0.00 -1.11 4.34 1.57 -1.90 -2.32 116.57 126.67 1cye h LYS 4 Ca 0.25 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.34 1cye h LYS 4 Cb 0.96 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.98 1cye h LYS 4 CO 1.36 0.00 0.89 0.39 -0.57 0.00 0.00 179.45 181.52 1cye n GLU 5 N -4.20 2.70 -2.99 3.15 1.02 -1.26 -1.31 120.64 117.75 1cye n GLU 5 Ca 0.08 -3.32 -0.41 0.00 -0.02 0.00 0.00 57.16 53.50 1cye n GLU 5 Cb 0.57 -2.29 -0.05 0.00 -0.02 0.00 0.00 31.44 29.66 1cye n GLU 5 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1cye s LEU 6 N -3.86 4.19 -0.48 -4.62 0.20 -0.88 -4.79 118.68 108.44 1cye s LEU 6 Ca 0.64 1.07 -0.28 0.00 0.69 0.00 0.00 54.13 56.24 1cye s LEU 6 Cb 0.50 -3.10 0.01 0.00 -0.43 0.00 0.00 46.19 43.17 1cye s LEU 6 CO -0.05 -0.31 1.39 -0.54 -0.29 0.00 0.00 176.35 176.55 1cye s LYS 7 N 1.83 3.47 -0.16 1.98 3.01 -1.25 -3.95 119.74 124.66 1cye s LYS 7 Ca 0.35 0.70 -0.07 0.00 -1.01 0.00 0.00 55.97 55.94 1cye s LYS 7 Cb -0.17 -4.06 -0.04 0.00 -1.01 0.00 0.00 37.83 32.56 1cye s LYS 7 CO 0.13 -1.71 0.08 -0.06 0.51 0.00 0.00 175.35 174.29 1cye s PHE 8 N 5.64 3.32 -0.43 3.18 0.40 0.08 -2.22 117.98 127.95 1cye s PHE 8 Ca 0.56 0.20 -0.07 0.00 -0.60 0.00 0.00 56.93 57.02 1cye s PHE 8 Cb -0.12 -2.03 0.10 0.00 0.51 0.00 0.00 43.02 41.47 1cye s PHE 8 CO 0.29 0.31 0.26 -1.17 0.70 0.00 0.00 175.22 175.62 1cye s LEU 9 N -0.02 5.27 -0.77 -0.37 0.20 -0.37 -0.00 118.68 122.62 1cye s LEU 9 Ca 0.07 -1.72 -0.26 0.00 0.69 0.00 0.00 54.13 52.90 1cye s LEU 9 Cb -0.12 -1.95 0.03 0.00 -0.43 0.00 0.00 46.19 43.72 1cye s LEU 9 CO 0.01 -0.57 1.35 -0.69 -0.29 0.00 0.00 176.35 176.15 1cye s VAL 10 N 1.34 3.71 -0.85 1.68 1.01 0.42 -1.10 120.40 126.62 1cye s VAL 10 Ca 0.04 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.29 1cye s VAL 10 Cb -0.24 -4.85 0.33 0.00 0.00 0.00 0.00 36.38 31.61 1cye s VAL 10 CO -0.00 -1.79 1.46 0.52 0.00 0.00 0.00 175.10 175.29 1cye n VAL 11 N 6.52 4.85 -3.63 2.92 0.31 0.79 -1.30 118.33 128.80 1cye n VAL 11 Ca 0.08 -5.82 -0.39 0.00 -0.01 0.00 0.00 64.34 58.20 1cye n VAL 11 Cb 0.49 -1.51 -0.08 0.00 -0.91 0.00 0.00 33.84 31.84 1cye n VAL 11 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1cye s ASP 12 N -2.22 5.59 0.00 4.52 -1.08 -1.23 -1.01 116.67 121.24 1cye s ASP 12 Ca 0.43 -2.82 0.00 0.00 -0.52 0.00 0.00 52.55 49.64 1cye s ASP 12 Cb 0.22 -1.94 0.00 0.00 -1.46 0.00 0.00 42.92 39.75 1cye s ASP 12 CO -0.13 -0.42 0.00 -0.90 0.52 0.00 0.00 175.17 174.25 1cye n ASP 13 N 3.60 0.00 -4.54 -0.34 5.75 -0.99 -3.85 116.55 116.17 1cye n ASP 13 Ca 0.09 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.44 1cye n ASP 13 Cb 0.40 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.44 1cye n ASP 13 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1cye s PHE 14 N -2.89 2.96 -0.27 2.11 5.36 -1.26 -4.90 117.98 119.09 1cye s PHE 14 Ca 0.00 0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.16 1cye s PHE 14 Cb 0.00 -3.77 0.00 0.00 -0.34 0.00 0.00 43.02 38.91 1cye s PHE 14 CO 0.00 -1.04 0.26 0.45 -1.46 0.00 0.00 175.22 173.42 1cye n SER 15 N 6.88 0.73 0.06 6.13 2.88 -1.26 -1.13 113.62 127.91 1cye n SER 15 Ca 0.03 -0.60 0.00 0.00 -1.33 0.00 0.00 58.87 56.97 1cye n SER 15 Cb 0.48 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1cye n SER 15 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1cye n THR 16 N 0.71 0.86 -0.11 2.46 -1.04 -1.26 -4.67 114.28 111.23 1cye n THR 16 Ca 0.00 0.28 0.02 0.00 -2.04 0.00 0.00 64.05 62.32 1cye n THR 16 Cb 0.13 -1.38 0.33 0.00 -1.82 0.00 0.00 70.33 67.59 1cye n THR 16 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1cye h MET 17 N 0.00 0.77 -0.25 -2.82 -1.53 -1.56 -1.96 114.93 107.58 1cye h MET 17 Ca 0.00 -0.05 0.06 0.00 -3.44 0.00 0.00 59.70 56.27 1cye h MET 17 Cb 0.12 -0.17 -0.06 0.00 -0.55 0.00 0.00 31.60 30.94 1cye h MET 17 CO 0.00 0.51 -0.12 -0.09 0.14 0.00 0.00 176.91 177.35 1cye h ARG 18 N 0.80 -0.08 -0.57 0.39 2.43 -1.23 -1.42 114.38 114.69 1cye h ARG 18 Ca 0.21 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.31 1cye h ARG 18 Cb -0.09 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1cye h ARG 18 CO -0.05 -0.06 0.04 -0.09 -1.51 0.00 0.00 179.97 178.31 1cye h ARG 19 N -0.09 0.94 -0.44 0.20 1.12 -1.64 -2.66 114.38 111.80 1cye h ARG 19 Ca 0.13 -0.26 0.04 0.00 -1.11 0.00 0.00 59.98 58.78 1cye h ARG 19 Cb 0.29 -0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 30.10 1cye h ARG 19 CO -0.30 0.90 0.22 0.82 -3.11 0.00 0.00 179.97 178.50 1cye h ILE 20 N 0.88 0.97 -0.78 1.20 2.04 -0.87 -2.21 117.51 118.74 1cye h ILE 20 Ca 0.17 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.92 1cye h ILE 20 Cb 0.45 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1cye h ILE 20 CO 0.02 0.08 0.49 0.58 0.00 0.00 0.00 178.15 179.32 1cye h VAL 21 N 0.45 1.09 -0.18 1.67 2.07 -0.98 -2.11 116.25 118.25 1cye h VAL 21 Ca 0.19 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.44 1cye h VAL 21 Cb 0.09 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 29.88 1cye h VAL 21 CO -0.13 0.17 -0.20 -0.09 0.02 0.00 0.00 177.57 177.34 1cye h ARG 22 N 0.94 -0.22 -0.92 1.57 2.43 -1.09 -1.01 114.38 116.08 1cye h ARG 22 Ca 0.32 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.56 1cye h ARG 22 Cb 0.05 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.59 1cye h ARG 22 CO -0.13 -0.15 0.59 -0.91 -1.51 0.00 0.00 179.97 177.86 1cye h ASN 23 N -0.23 0.94 0.13 -3.80 2.35 -0.90 -1.02 115.58 113.04 1cye h ASN 23 Ca 0.12 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1cye h ASN 23 Cb 0.40 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1cye h ASN 23 CO -0.31 0.62 -0.08 -0.07 -1.65 0.00 0.00 177.43 175.94 1cye h LEU 24 N 1.09 -0.19 -0.63 1.61 3.38 -0.79 -1.04 115.31 118.74 1cye h LEU 24 Ca 0.39 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.43 1cye h LEU 24 Cb 0.11 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1cye h LEU 24 CO -0.15 -0.12 0.34 -0.07 0.09 0.00 0.00 178.44 178.52 1cye h LEU 25 N -0.19 0.49 -0.80 1.67 3.38 -0.63 -1.94 115.31 117.29 1cye h LEU 25 Ca -0.01 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1cye h LEU 25 Cb 0.16 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1cye h LEU 25 CO 0.01 0.31 0.51 0.11 0.09 0.00 0.00 178.44 179.48 1cye h LYS 26 N 0.62 0.96 -0.87 1.13 1.57 -0.93 0.15 116.57 119.21 1cye h LYS 26 Ca 0.29 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1cye h LYS 26 Cb 0.20 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1cye h LYS 26 CO -0.19 0.63 0.57 1.49 -0.57 0.00 0.00 179.45 181.39 1cye h GLU 27 N 0.99 1.12 0.00 3.15 4.22 -0.60 -0.56 114.58 122.90 1cye h GLU 27 Ca 0.32 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.69 1cye h GLU 27 Cb 0.02 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.02 1cye h GLU 27 CO -0.12 0.74 0.00 1.28 -2.18 0.00 0.00 179.01 178.74 1cye n LEU 28 N -4.41 0.30 0.00 1.64 4.32 -0.61 -4.92 117.00 113.32 1cye n LEU 28 Ca 0.10 0.55 0.00 0.00 -0.02 0.00 0.00 56.01 56.64 1cye n LEU 28 Cb 0.04 -0.48 0.00 0.00 -1.62 0.00 0.00 43.42 41.36 1cye n LEU 28 CO 0.36 -0.23 0.00 0.61 -1.22 0.00 0.00 177.39 176.92 1cye n GLY 29 N 0.70 0.60 3.44 -0.72 0.00 -0.22 -5.04 105.19 103.96 1cye n GLY 29 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1cye n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cye s PHE 30 N -2.00 2.80 0.16 1.61 0.08 0.44 -4.54 117.98 116.53 1cye s PHE 30 Ca 0.00 -0.77 -0.06 0.00 0.12 0.00 0.00 56.93 56.22 1cye s PHE 30 Cb 0.00 -4.26 0.00 0.00 -0.57 0.00 0.00 43.02 38.19 1cye s PHE 30 CO 0.00 -1.58 1.42 -0.91 -0.10 0.00 0.00 175.22 174.05 1cye h ASN 31 N 9.38 0.71 -3.06 1.36 2.35 -1.46 -2.98 115.58 121.89 1cye h ASN 31 Ca -0.20 -0.43 -0.73 0.00 -0.55 0.00 0.00 56.30 54.40 1cye h ASN 31 Cb 1.06 -0.21 -0.21 0.00 0.05 0.00 0.00 38.32 39.01 1cye h ASN 31 CO 1.16 1.18 0.17 0.20 -1.65 0.00 0.00 177.43 178.49 1cye s ASN 32 N -6.99 6.37 -0.05 5.81 -0.87 -1.25 -4.98 114.94 112.98 1cye s ASN 32 Ca -0.08 -1.85 0.02 0.00 -1.57 0.00 0.00 52.86 49.38 1cye s ASN 32 Cb 0.10 -2.28 0.01 0.00 -0.02 0.00 0.00 41.25 39.06 1cye s ASN 32 CO 0.86 -0.95 -0.11 -0.69 -2.57 0.00 0.00 177.10 173.64 1cye s VAL 33 N 1.98 1.04 0.20 1.60 1.01 -1.26 -0.74 120.40 124.22 1cye s VAL 33 Ca 0.15 -0.45 0.10 0.00 0.00 0.00 0.00 61.98 61.78 1cye s VAL 33 Cb -0.19 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1cye s VAL 33 CO 0.00 0.33 -0.18 -1.61 0.00 0.00 0.00 175.10 173.64 1cye s GLU 34 N 0.50 1.75 -0.13 2.72 8.01 0.99 -4.95 118.70 127.59 1cye s GLU 34 Ca -0.10 -1.44 0.00 0.00 0.01 0.00 0.00 54.97 53.43 1cye s GLU 34 Cb -0.14 -1.97 0.02 0.00 -4.31 0.00 0.00 34.13 27.74 1cye s GLU 34 CO 0.02 0.41 -0.11 -1.21 0.01 0.00 0.00 175.26 174.38 1cye s GLU 35 N -2.81 1.92 0.16 1.61 2.02 -1.26 -0.44 118.70 119.91 1cye s GLU 35 Ca 0.23 -0.41 0.10 0.00 0.02 0.00 0.00 54.97 54.91 1cye s GLU 35 Cb -0.08 -1.85 -0.04 0.00 0.10 0.00 0.00 34.13 32.26 1cye s GLU 35 CO 0.12 -0.25 -0.22 0.00 0.02 0.00 0.00 175.26 174.93 1cye s ALA 36 N 1.58 2.23 -0.03 5.21 0.00 -0.42 -4.99 121.76 125.34 1cye s ALA 36 Ca 0.05 -1.50 -0.01 0.00 0.00 0.00 0.00 51.96 50.50 1cye s ALA 36 Cb -0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1cye s ALA 36 CO -0.09 0.38 0.10 1.49 0.00 0.00 0.00 175.76 177.64 1cye h GLU 37 N 3.49 -0.04 0.00 0.00 4.81 -1.88 -3.26 114.58 117.71 1cye h GLU 37 Ca -0.46 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.38 1cye h GLU 37 Cb 1.20 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.50 1cye h GLU 37 CO 0.46 -0.03 -0.32 -0.40 -0.73 0.00 0.00 179.01 177.98 1cye n ASP 38 N -3.10 1.34 -0.22 1.04 5.68 -1.26 -2.34 116.55 117.68 1cye n ASP 38 Ca -0.01 -2.51 -0.04 0.00 -0.50 0.00 0.00 54.79 51.73 1cye n ASP 38 Cb 0.02 0.67 0.02 0.00 -1.14 0.00 0.00 41.12 40.68 1cye n ASP 38 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1cye h GLY 39 N 1.10 -0.02 0.75 6.12 0.00 -1.53 0.18 103.07 109.66 1cye h GLY 39 Ca -0.23 0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 1cye h GLY 39 CO 0.36 -0.22 -0.40 -2.08 0.00 0.00 0.00 176.54 174.20 1cye h VAL 40 N -0.13 0.18 -0.71 4.60 2.07 -1.87 -2.34 116.25 118.06 1cye h VAL 40 Ca 0.25 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.89 1cye h VAL 40 Cb 0.55 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1cye h VAL 40 CO -0.71 0.00 0.47 0.44 0.02 0.00 0.00 177.57 177.79 1cye h ASP 41 N -0.93 0.45 0.25 0.57 3.32 -1.70 -1.00 116.42 117.37 1cye h ASP 41 Ca -0.06 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1cye h ASP 41 Cb 0.78 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1cye h ASP 41 CO 0.03 0.26 -0.19 0.00 -1.72 0.00 0.00 179.24 177.61 1cye h ALA 42 N 1.65 -0.43 -0.81 3.45 0.00 -0.26 -1.63 119.26 121.24 1cye h ALA 42 Ca 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1cye h ALA 42 Cb 0.63 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1cye h ALA 42 CO -0.11 -0.76 0.52 -0.07 0.00 0.00 0.00 179.25 178.83 1cye h LEU 43 N -0.45 0.94 -0.19 0.00 3.38 -0.69 0.27 115.31 118.58 1cye h LEU 43 Ca -0.01 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1cye h LEU 43 Cb 0.40 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1cye h LEU 43 CO -0.01 0.69 -0.18 0.78 0.09 0.00 0.00 178.44 179.82 1cye h ASN 44 N 1.10 -0.56 -0.31 -0.43 4.21 -1.14 -2.15 115.58 116.29 1cye h ASN 44 Ca 0.29 0.11 -0.15 0.00 1.21 0.00 0.00 56.30 57.76 1cye h ASN 44 Cb -0.10 0.27 -0.00 0.00 -1.12 0.00 0.00 38.32 37.37 1cye h ASN 44 CO -0.06 -0.22 -0.40 0.50 -1.29 0.00 0.00 177.43 175.96 1cye h LYS 45 N -0.20 0.81 -0.85 0.81 3.64 -0.54 -3.32 116.57 116.93 1cye h LYS 45 Ca 0.12 -0.46 0.14 0.00 -1.27 0.00 0.00 60.65 59.17 1cye h LYS 45 Cb 0.37 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.16 1cye h LYS 45 CO -0.30 1.10 0.55 -0.07 -2.27 0.00 0.00 179.45 178.45 1cye h LEU 46 N 0.59 0.59 -1.95 5.20 3.38 -0.06 -2.92 115.31 120.14 1cye h LEU 46 Ca 0.04 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.18 1cye h LEU 46 Cb 0.99 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1cye h LEU 46 CO 0.09 0.31 0.49 0.06 0.09 0.00 0.00 178.44 179.49 1cye h GLN 47 N 0.63 0.00 0.00 1.13 3.07 -1.51 -1.42 115.11 117.02 1cye h GLN 47 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.16 1cye h GLN 47 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.27 1cye h GLN 47 CO -0.18 0.00 0.00 0.00 0.09 0.00 0.00 178.83 178.74 1cye h ALA 48 N 1.48 1.00 0.00 0.06 0.00 -1.76 -3.49 119.26 116.55 1cye h ALA 48 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1cye h ALA 48 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1cye h ALA 48 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1cye n GLY 49 N -0.73 -2.09 4.16 0.00 0.00 -0.54 -4.96 105.19 101.03 1cye n GLY 49 Ca -0.02 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1cye n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cye n GLY 50 N -0.04 2.11 3.59 -0.02 0.00 -1.26 -4.94 105.19 104.63 1cye n GLY 50 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1cye n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cye s TYR 51 N -0.03 1.75 -0.23 1.61 2.02 -1.26 -4.47 117.35 116.74 1cye s TYR 51 Ca 0.00 0.68 0.19 0.00 -0.37 0.00 0.00 57.07 57.57 1cye s TYR 51 Cb 0.00 -4.10 0.07 0.00 -0.40 0.00 0.00 41.96 37.53 1cye s TYR 51 CO 0.00 -2.86 1.25 0.78 -1.57 0.00 0.00 175.55 173.16 1cye h GLY 52 N 14.33 0.00 -5.14 0.71 0.00 -1.86 -3.48 103.07 107.63 1cye h GLY 52 Ca -0.32 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.63 1cye h GLY 52 CO 1.06 0.00 -0.77 -0.12 0.00 0.00 0.00 176.54 176.71 1cye s PHE 53 N -3.10 0.80 -0.22 5.60 2.19 -0.94 -3.26 117.98 119.04 1cye s PHE 53 Ca 0.02 -0.20 0.00 0.00 0.33 0.00 0.00 56.93 57.08 1cye s PHE 53 Cb 0.08 -0.51 0.06 0.00 -1.31 0.00 0.00 43.02 41.34 1cye s PHE 53 CO 0.75 -0.01 -0.04 0.08 1.83 0.00 0.00 175.22 177.83 1cye s VAL 54 N -0.39 1.36 -0.59 3.12 1.01 -0.08 -1.23 120.40 123.59 1cye s VAL 54 Ca 0.02 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 60.88 1cye s VAL 54 Cb -0.04 -1.64 0.15 0.00 0.00 0.00 0.00 36.38 34.85 1cye s VAL 54 CO -0.00 -0.08 0.43 -0.51 0.00 0.00 0.00 175.10 174.94 1cye s ILE 55 N 1.48 3.95 0.09 2.22 2.07 -0.25 -0.47 121.20 130.29 1cye s ILE 55 Ca -0.04 -2.59 0.09 0.00 -1.41 0.00 0.00 60.65 56.69 1cye s ILE 55 Cb -0.18 -3.58 -0.04 0.00 0.13 0.00 0.00 42.46 38.80 1cye s ILE 55 CO -0.07 -0.85 -0.20 -0.55 -1.91 0.00 0.00 174.94 171.36 1cye s SER 56 N 1.33 3.68 0.32 4.50 0.15 -0.14 -0.15 113.70 123.40 1cye s SER 56 Ca 0.14 -0.55 -0.26 0.00 0.70 0.00 0.00 55.95 55.98 1cye s SER 56 Cb -0.20 -0.48 -0.10 0.00 -1.71 0.00 0.00 66.02 63.53 1cye s SER 56 CO -0.04 0.21 0.95 -0.62 1.20 0.00 0.00 173.24 174.95 1cye s ASP 57 N -1.80 7.31 0.12 5.45 -1.08 -0.18 0.41 116.67 126.91 1cye s ASP 57 Ca 0.15 1.86 -0.19 0.00 -0.52 0.00 0.00 52.55 53.86 1cye s ASP 57 Cb -0.10 -2.58 -0.05 0.00 -1.46 0.00 0.00 42.92 38.72 1cye s ASP 57 CO 0.07 -0.09 1.73 -0.25 0.52 0.00 0.00 175.17 177.16 1cye h TRP 58 N 3.16 0.35 -3.14 -5.34 2.91 -1.29 -3.10 115.95 109.51 1cye h TRP 58 Ca -0.47 -0.00 -0.70 0.00 1.13 0.00 0.00 58.89 58.84 1cye h TRP 58 Cb 1.19 -0.11 -0.20 0.00 -0.51 0.00 0.00 29.16 29.53 1cye h TRP 58 CO 0.61 0.28 -0.00 1.21 -1.03 0.00 0.00 178.44 179.51 1cye s ASN 59 N -5.52 6.20 -0.03 2.65 2.47 -1.26 -0.80 114.94 118.65 1cye s ASN 59 Ca -0.13 -1.19 0.01 0.00 0.42 0.00 0.00 52.86 51.97 1cye s ASN 59 Cb 0.09 -2.27 0.01 0.00 -1.45 0.00 0.00 41.25 37.62 1cye s ASN 59 CO 0.71 -0.92 -0.05 -0.04 -3.72 0.00 0.00 177.10 173.07 1cye s MET 60 N 2.44 0.65 0.47 0.43 -1.94 -1.26 -4.60 119.30 115.49 1cye s MET 60 Ca 0.12 -0.14 -0.24 0.00 -1.71 0.00 0.00 55.69 53.71 1cye s MET 60 Cb -0.22 -0.66 -0.07 0.00 2.01 0.00 0.00 34.83 35.89 1cye s MET 60 CO 0.09 0.01 1.42 -1.25 -0.01 0.00 0.00 175.02 175.28 1cye s PRO 61 N 0.45 3.55 0.00 2.03 0.04 -1.26 -3.23 135.00 136.58 1cye s PRO 61 Ca -0.06 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1cye s PRO 61 Cb -0.09 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1cye s PRO 61 CO -0.00 -0.92 0.00 0.09 0.04 0.00 0.00 177.00 176.21 1cye n ASN 62 N -0.40 0.00 -4.09 6.66 4.13 -1.26 -4.43 115.26 115.88 1cye n ASN 62 Ca 0.06 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.98 1cye n ASN 62 Cb 0.42 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.54 1cye n ASN 62 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1cye s MET 63 N 0.00 1.93 1.06 3.52 1.75 -1.26 -5.05 119.30 121.26 1cye s MET 63 Ca 0.00 -1.93 -0.12 0.00 -1.25 0.00 0.00 55.69 52.39 1cye s MET 63 Cb 0.00 -3.50 0.23 0.00 2.84 0.00 0.00 34.83 34.39 1cye s MET 63 CO 0.00 -1.05 1.07 0.16 -0.65 0.00 0.00 175.02 174.55 1cye s ASP 64 N 1.44 1.79 0.17 1.11 1.47 -1.20 -1.68 116.67 119.76 1cye s ASP 64 Ca 0.10 1.74 -0.20 0.00 1.18 0.00 0.00 52.55 55.37 1cye s ASP 64 Cb -0.22 -2.38 0.08 0.00 -0.34 0.00 0.00 42.92 40.06 1cye s ASP 64 CO -0.05 -3.73 1.63 1.23 0.68 0.00 0.00 175.17 174.93 1cye h GLY 65 N -2.30 0.03 1.03 2.12 0.00 -0.89 -1.35 103.07 101.71 1cye h GLY 65 Ca -0.55 0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.08 1cye h GLY 65 CO 0.48 -0.20 0.57 -2.00 0.00 0.00 0.00 176.54 175.40 1cye h LEU 66 N -0.15 0.94 -0.42 3.11 5.85 -1.86 -1.22 115.31 121.56 1cye h LEU 66 Ca 0.18 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.71 1cye h LEU 66 Cb 0.43 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1cye h LEU 66 CO -0.46 0.65 -0.65 -0.08 -0.34 0.00 0.00 178.44 177.56 1cye h GLU 67 N 1.09 0.53 -0.85 1.25 4.81 -1.69 -3.12 114.58 116.61 1cye h GLU 67 Ca 0.35 -0.39 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1cye h GLU 67 Cb 0.02 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 1cye h GLU 67 CO -0.10 1.01 0.56 1.25 -0.73 0.00 0.00 179.01 180.99 1cye h LEU 68 N 0.38 0.92 -0.33 1.64 7.12 -0.19 -1.90 115.31 122.95 1cye h LEU 68 Ca -0.02 -0.01 0.07 0.00 0.13 0.00 0.00 57.88 58.05 1cye h LEU 68 Cb 1.22 -0.22 -0.08 0.00 -0.53 0.00 0.00 40.66 41.06 1cye h LEU 68 CO 0.12 0.64 -0.21 -0.07 -0.13 0.00 0.00 178.44 178.79 1cye h LEU 69 N 1.07 -0.69 -0.28 2.25 4.07 -1.37 -2.55 115.31 117.81 1cye h LEU 69 Ca 0.33 0.14 0.04 0.00 0.08 0.00 0.00 57.88 58.48 1cye h LEU 69 Cb -0.00 0.35 -0.04 0.00 1.08 0.00 0.00 40.66 42.05 1cye h LEU 69 CO -0.09 -0.24 0.04 0.11 -1.08 0.00 0.00 178.44 177.18 1cye h LYS 70 N -0.17 0.14 -0.47 1.13 1.57 -1.40 0.11 116.57 117.48 1cye h LYS 70 Ca 0.17 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.99 1cye h LYS 70 Cb 0.43 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1cye h LYS 70 CO -0.43 0.09 0.31 1.79 -0.57 0.00 0.00 179.45 180.64 1cye h THR 71 N 0.14 0.99 0.00 -0.16 1.35 -1.10 0.14 112.91 114.27 1cye h THR 71 Ca 0.13 -0.15 -0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1cye h THR 71 Cb 0.15 0.53 -0.00 0.00 -1.73 0.00 0.00 68.15 67.10 1cye h THR 71 CO -0.19 0.08 -0.06 0.40 -0.25 0.00 0.00 175.52 175.50 1cye h ILE 72 N 0.43 0.46 -0.73 6.82 2.04 -0.89 -3.26 117.51 122.37 1cye h ILE 72 Ca 0.20 -1.35 0.16 0.00 1.00 0.00 0.00 64.86 64.86 1cye h ILE 72 Cb 0.25 0.88 -0.11 0.00 -0.74 0.00 0.00 36.82 37.10 1cye h ILE 72 CO -0.05 0.16 0.17 0.03 0.00 0.00 0.00 178.15 178.46 1cye h ARG 73 N -1.00 0.26 0.00 2.37 2.47 -0.55 -0.35 114.38 117.57 1cye h ARG 73 Ca -0.01 -0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.62 1cye h ARG 73 Cb 0.30 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 1cye h ARG 73 CO -0.00 0.17 -0.35 0.00 0.56 0.00 0.00 179.97 180.34 1cye h ALA 74 N 1.61 0.97 -1.30 0.04 0.00 -0.91 -3.40 119.26 116.28 1cye h ALA 74 Ca 0.41 -0.32 -0.59 0.00 0.00 0.00 0.00 54.91 54.41 1cye h ALA 74 Cb 0.70 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 1cye h ALA 74 CO -0.51 0.44 1.24 0.34 0.00 0.00 0.00 179.25 180.76 1cye s ASP 75 N -6.39 6.38 0.05 0.00 -1.08 -0.16 -4.92 116.67 110.56 1cye s ASP 75 Ca 0.01 -1.15 -0.08 0.00 -0.52 0.00 0.00 52.55 50.81 1cye s ASP 75 Cb 0.10 -2.54 -0.00 0.00 -1.46 0.00 0.00 42.92 39.02 1cye s ASP 75 CO 0.68 -1.57 0.44 0.61 0.52 0.00 0.00 175.17 175.85 1cye n GLY 76 N 6.18 -0.71 0.37 2.66 0.00 -1.26 -0.32 105.19 112.11 1cye n GLY 76 Ca 0.20 0.34 -0.00 0.00 0.00 0.00 0.00 46.02 46.55 1cye n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cye h ALA 77 N 0.20 1.37 0.06 4.61 0.00 -1.92 -3.26 119.26 120.32 1cye h ALA 77 Ca 0.06 -0.06 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1cye h ALA 77 Cb 0.13 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1cye h ALA 77 CO -0.27 0.58 -1.56 0.52 0.00 0.00 0.00 179.25 178.51 1cye h MET 78 N 1.21 0.13 0.00 0.00 2.86 -1.22 -3.47 114.93 114.44 1cye h MET 78 Ca 0.34 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1cye h MET 78 Cb -0.11 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1cye h MET 78 CO -0.08 1.11 0.00 0.45 1.06 0.00 0.00 176.91 179.45 1cye n SER 79 N -4.01 0.00 -0.96 1.22 2.88 0.57 -2.51 113.62 110.81 1cye n SER 79 Ca -0.31 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 1cye n SER 79 Cb 0.85 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 1cye n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cye n ALA 80 N 0.00 2.35 -2.24 -1.46 0.00 -1.26 -4.01 120.51 113.88 1cye n ALA 80 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1cye n ALA 80 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 1cye n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cye s LEU 81 N 0.00 4.45 -0.17 0.00 1.43 -1.04 -4.95 118.68 118.40 1cye s LEU 81 Ca 0.00 1.97 -0.31 0.00 -1.03 0.00 0.00 54.13 54.76 1cye s LEU 81 Cb 0.00 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.54 1cye s LEU 81 CO 0.00 -0.24 2.09 -0.81 0.23 0.00 0.00 176.35 177.62 1cye n PRO 82 N 2.92 1.98 -3.77 1.29 -0.04 -1.20 -4.87 135.00 131.31 1cye n PRO 82 Ca 0.04 0.63 -0.37 0.00 -0.04 0.00 0.00 63.50 63.76 1cye n PRO 82 Cb 0.47 -2.89 -0.13 0.00 -0.04 0.00 0.00 33.50 30.92 1cye n PRO 82 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1cye s VAL 83 N 6.42 3.72 -0.43 0.52 1.01 -1.26 -0.90 120.40 129.48 1cye s VAL 83 Ca 0.99 -1.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 1cye s VAL 83 Cb -0.55 -3.07 0.08 0.00 0.00 0.00 0.00 36.38 32.84 1cye s VAL 83 CO 0.44 -0.12 0.28 -0.22 0.00 0.00 0.00 175.10 175.48 1cye s LEU 84 N 1.40 5.25 -0.26 3.92 2.96 0.38 -1.51 118.68 130.83 1cye s LEU 84 Ca -0.01 -1.57 -0.29 0.00 -0.22 0.00 0.00 54.13 52.04 1cye s LEU 84 Cb -0.19 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.51 1cye s LEU 84 CO 0.02 -0.56 1.13 -0.04 -1.32 0.00 0.00 176.35 175.58 1cye s MET 85 N 1.42 4.14 -0.72 1.98 -1.94 -0.53 -0.97 119.30 122.68 1cye s MET 85 Ca 0.03 1.30 -0.20 0.00 -1.71 0.00 0.00 55.69 55.12 1cye s MET 85 Cb -0.24 -3.73 0.11 0.00 2.01 0.00 0.00 34.83 32.98 1cye s MET 85 CO 0.02 -0.80 0.92 0.08 -0.01 0.00 0.00 175.02 175.22 1cye s VAL 86 N 3.56 4.66 -0.35 -6.03 1.01 0.17 -0.11 120.40 123.30 1cye s VAL 86 Ca 0.48 -1.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 1cye s VAL 86 Cb -0.15 -4.64 -0.01 0.00 0.00 0.00 0.00 36.38 31.58 1cye s VAL 86 CO 0.13 -1.35 0.48 0.42 0.00 0.00 0.00 175.10 174.79 1cye s THR 87 N 3.05 5.05 0.64 3.92 -4.23 -0.40 -0.73 115.64 122.93 1cye s THR 87 Ca 0.21 0.28 0.29 0.00 -1.18 0.00 0.00 61.69 61.29 1cye s THR 87 Cb -0.15 -3.94 0.32 0.00 1.34 0.00 0.00 72.50 70.07 1cye s THR 87 CO 0.02 -0.19 1.91 0.00 -0.54 0.00 0.00 174.62 175.82 1cye h ALA 88 N 8.46 1.61 -1.25 3.99 0.00 -1.86 0.83 119.26 131.04 1cye h ALA 88 Ca -0.28 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.77 1cye h ALA 88 Cb 1.13 0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.70 1cye h ALA 88 CO 0.76 -0.45 0.09 -2.00 0.00 0.00 0.00 179.25 177.64 1cye s GLU 89 N -4.28 0.38 -0.92 0.00 2.12 -1.25 -4.56 118.70 110.20 1cye s GLU 89 Ca -0.04 0.93 -0.24 0.00 0.36 0.00 0.00 54.97 55.98 1cye s GLU 89 Cb 0.11 0.56 0.03 0.00 0.26 0.00 0.00 34.13 35.09 1cye s GLU 89 CO 0.36 -0.17 1.47 0.00 -0.54 0.00 0.00 175.26 176.39 1cye s ALA 90 N 2.63 2.60 -0.17 6.30 0.00 -1.26 -4.99 121.76 126.87 1cye s ALA 90 Ca -0.02 -1.90 -0.08 0.00 0.00 0.00 0.00 51.96 49.96 1cye s ALA 90 Cb -0.09 -4.45 -0.04 0.00 0.00 0.00 0.00 23.12 18.54 1cye s ALA 90 CO -0.18 -3.66 0.10 0.15 0.00 0.00 0.00 175.76 172.17 1cye s LYS 91 N 5.45 3.93 0.30 0.00 1.02 -1.26 -5.03 119.74 124.15 1cye s LYS 91 Ca 0.46 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 56.20 1cye s LYS 91 Cb -0.03 -3.28 0.70 0.00 -0.52 0.00 0.00 37.83 34.70 1cye s LYS 91 CO -0.01 0.39 1.58 -0.22 -0.92 0.00 0.00 175.35 176.17 1cye h LYS 92 N 6.31 0.02 -0.02 1.68 1.63 -1.99 -0.57 116.57 123.64 1cye h LYS 92 Ca -0.42 -0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.41 1cye h LYS 92 Cb 1.17 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.74 1cye h LYS 92 CO 0.70 0.02 -0.32 0.93 -3.45 0.00 0.00 179.45 177.32 1cye h GLU 93 N 0.03 -0.45 -0.73 1.90 3.07 -2.00 -0.75 114.58 115.64 1cye h GLU 93 Ca 0.57 0.03 0.03 0.00 -0.50 0.00 0.00 59.36 59.49 1cye h GLU 93 Cb 1.15 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 29.11 1cye h GLU 93 CO -0.89 -0.30 0.47 -0.91 -1.40 0.00 0.00 179.01 175.98 1cye h ASN 94 N -0.46 0.78 -0.09 1.42 4.21 -1.55 -2.53 115.58 117.35 1cye h ASN 94 Ca 0.06 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.57 1cye h ASN 94 Cb 0.56 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.58 1cye h ASN 94 CO -0.28 0.54 0.06 0.40 -1.29 0.00 0.00 177.43 176.86 1cye h ILE 95 N 0.92 1.04 -0.03 2.81 1.08 -0.60 0.17 117.51 122.89 1cye h ILE 95 Ca 0.29 -0.09 0.02 0.00 -0.39 0.00 0.00 64.86 64.69 1cye h ILE 95 Cb -0.01 0.94 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 1cye h ILE 95 CO -0.10 0.03 -0.07 0.40 -0.69 0.00 0.00 178.15 177.72 1cye h ILE 96 N 0.10 0.80 -0.57 -0.67 2.04 -0.95 -1.78 117.51 116.49 1cye h ILE 96 Ca 0.03 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.97 1cye h ILE 96 Cb 0.01 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 1cye h ILE 96 CO -0.01 0.00 0.23 0.00 0.00 0.00 0.00 178.15 178.37 1cye h ALA 97 N 0.90 0.73 0.31 1.87 0.00 -1.18 -1.61 119.26 120.26 1cye h ALA 97 Ca 0.04 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1cye h ALA 97 Cb 0.17 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1cye h ALA 97 CO -0.10 -0.17 -0.26 0.00 0.00 0.00 0.00 179.25 178.72 1cye h ALA 98 N 1.37 -0.57 -0.83 0.00 0.00 -0.57 -1.11 119.26 117.54 1cye h ALA 98 Ca 0.28 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1cye h ALA 98 Cb 0.30 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1cye h ALA 98 CO -0.26 -0.85 0.52 0.00 0.00 0.00 0.00 179.25 178.65 1cye h ALA 99 N 0.03 1.14 -0.62 0.00 0.00 -0.97 -0.90 119.26 117.93 1cye h ALA 99 Ca -0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1cye h ALA 99 Cb 0.52 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1cye h ALA 99 CO -0.03 0.27 0.01 1.96 0.00 0.00 0.00 179.25 181.46 1cye h GLN 100 N 0.95 1.09 -0.02 0.00 1.08 -0.99 -3.18 115.11 114.04 1cye h GLN 100 Ca 0.36 -0.34 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1cye h GLN 100 Cb 0.14 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1cye h GLN 100 CO -0.16 1.05 0.00 0.00 -0.95 0.00 0.00 178.83 178.77 1cye n ALA 101 N -2.48 2.62 0.00 3.87 0.00 -0.45 -4.91 120.51 119.15 1cye n ALA 101 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1cye n ALA 101 Cb 0.35 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1cye n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cye n GLY 102 N 1.09 1.59 3.58 0.00 0.00 -1.11 -4.07 105.19 106.28 1cye n GLY 102 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1cye n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cye s ALA 103 N -2.00 3.21 0.51 4.61 0.00 -0.37 -4.64 121.76 123.08 1cye s ALA 103 Ca 0.00 -0.62 0.15 0.00 0.00 0.00 0.00 51.96 51.49 1cye s ALA 103 Cb 0.00 -3.76 1.24 0.00 0.00 0.00 0.00 23.12 20.61 1cye s ALA 103 CO 0.00 -2.13 2.14 0.77 0.00 0.00 0.00 175.76 176.55 1cye h SER 104 N 9.11 0.03 -5.81 0.00 0.02 -1.60 -3.41 113.55 111.89 1cye h SER 104 Ca -0.23 -0.00 0.34 0.00 -0.84 0.00 0.00 61.79 61.05 1cye h SER 104 Cb 1.07 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 63.50 1cye h SER 104 CO 1.07 0.02 0.87 -0.83 -1.14 0.00 0.00 176.83 176.82 1cye s GLY 105 N -4.04 -0.32 -0.12 -3.77 0.00 -0.97 -4.78 107.32 93.32 1cye s GLY 105 Ca -0.05 0.48 -0.11 0.00 0.00 0.00 0.00 44.72 45.04 1cye s GLY 105 CO 0.67 2.07 0.32 -2.52 0.00 0.00 0.00 173.10 173.64 1cye s TYR 106 N -2.24 -0.36 -0.22 1.90 1.13 -1.26 -1.45 117.35 114.84 1cye s TYR 106 Ca 0.20 0.87 -0.02 0.00 -1.41 0.00 0.00 57.07 56.71 1cye s TYR 106 Cb 0.03 0.12 0.01 0.00 -1.10 0.00 0.00 41.96 41.03 1cye s TYR 106 CO -0.03 -0.18 -0.09 0.54 -2.51 0.00 0.00 175.55 173.29 1cye s VAL 107 N 0.27 2.86 -0.38 -3.49 0.11 0.84 -4.92 120.40 115.69 1cye s VAL 107 Ca -0.01 -0.83 -0.28 0.00 -2.93 0.00 0.00 61.98 57.93 1cye s VAL 107 Cb -0.03 -2.35 -0.01 0.00 -1.53 0.00 0.00 36.38 32.47 1cye s VAL 107 CO -0.01 0.35 1.62 0.54 -3.33 0.00 0.00 175.10 174.28 1cye s VAL 108 N 1.37 3.66 -0.03 2.04 0.11 -1.26 -1.28 120.40 125.01 1cye s VAL 108 Ca 0.03 0.67 -0.27 0.00 -2.93 0.00 0.00 61.98 59.48 1cye s VAL 108 Cb -0.15 -3.92 -0.03 0.00 -1.53 0.00 0.00 36.38 30.74 1cye s VAL 108 CO -0.06 -0.60 0.85 -0.75 -3.33 0.00 0.00 175.10 171.20 1cye s LYS 109 N 5.39 4.50 0.17 1.54 2.20 0.29 -2.90 119.74 130.93 1cye s LYS 109 Ca 0.70 1.16 -0.30 0.00 -0.36 0.00 0.00 55.97 57.18 1cye s LYS 109 Cb -0.18 -3.45 -0.08 0.00 -1.51 0.00 0.00 37.83 32.61 1cye s LYS 109 CO 0.33 0.01 1.29 -1.25 -0.36 0.00 0.00 175.35 175.37 1cye s PRO 110 N 0.89 4.40 0.13 4.03 0.04 -1.26 -3.81 135.00 139.42 1cye s PRO 110 Ca 0.45 1.99 0.05 0.00 0.04 0.00 0.00 61.00 63.53 1cye s PRO 110 Cb -0.19 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1cye s PRO 110 CO 0.23 -0.25 -0.12 -0.59 0.04 0.00 0.00 177.00 176.31 1cye s PHE 111 N 0.34 1.32 0.49 0.56 -0.71 -1.14 -5.15 117.98 113.69 1cye s PHE 111 Ca 0.57 -0.65 0.04 0.00 -1.04 0.00 0.00 56.93 55.85 1cye s PHE 111 Cb -0.35 -0.68 -0.02 0.00 -1.21 0.00 0.00 43.02 40.77 1cye s PHE 111 CO 0.36 0.12 0.13 -0.08 -1.34 0.00 0.00 175.22 174.40 1cye s THR 112 N -2.71 1.57 0.28 -4.49 -1.32 -1.26 -4.96 115.64 102.74 1cye s THR 112 Ca 0.12 -1.83 0.02 0.00 -1.21 0.00 0.00 61.69 58.79 1cye s THR 112 Cb -0.01 -2.40 0.27 0.00 -1.51 0.00 0.00 72.50 68.84 1cye s THR 112 CO 0.02 0.00 1.76 0.00 -2.21 0.00 0.00 174.62 174.19 1cye h ALA 113 N 1.27 1.42 0.01 11.08 0.00 -1.99 0.62 119.26 131.67 1cye h ALA 113 Ca -0.42 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1cye h ALA 113 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1cye h ALA 113 CO 0.70 -0.10 -0.00 0.00 0.00 0.00 0.00 179.25 179.85 1cye h ALA 114 N 1.60 -0.01 -0.49 0.00 0.00 -1.97 0.55 119.26 118.94 1cye h ALA 114 Ca 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1cye h ALA 114 Cb 0.77 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1cye h ALA 114 CO -0.39 -0.45 0.31 1.15 0.00 0.00 0.00 179.25 179.87 1cye h THR 115 N -0.11 1.14 -0.10 0.00 2.02 -1.73 -0.72 112.91 113.40 1cye h THR 115 Ca -0.00 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 66.94 1cye h THR 115 Cb 0.11 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1cye h THR 115 CO 0.00 0.13 -0.06 0.25 0.37 0.00 0.00 175.52 176.21 1cye h LEU 116 N 0.66 -0.20 -0.31 2.58 5.85 -0.68 -2.45 115.31 120.76 1cye h LEU 116 Ca 0.18 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.97 1cye h LEU 116 Cb -0.05 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1cye h LEU 116 CO -0.04 -0.09 0.14 -0.08 -0.34 0.00 0.00 178.44 178.03 1cye h GLU 117 N -0.06 0.28 -0.82 1.25 4.81 -0.44 -0.85 114.58 118.75 1cye h GLU 117 Ca 0.06 -0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.43 1cye h GLU 117 Cb 0.16 -0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.37 1cye h GLU 117 CO -0.14 0.19 0.37 0.93 -0.73 0.00 0.00 179.01 179.62 1cye h GLU 118 N 0.29 0.50 -0.16 1.92 5.08 -0.71 0.17 114.58 121.67 1cye h GLU 118 Ca 0.13 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.28 1cye h GLU 118 Cb 0.07 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.21 1cye h GLU 118 CO -0.11 0.33 -0.59 0.87 -1.00 0.00 0.00 179.01 178.51 1cye h LYS 119 N 0.51 0.69 -0.47 2.33 1.79 -0.99 -2.96 116.57 117.48 1cye h LYS 119 Ca 0.46 -0.52 0.05 0.00 -2.18 0.00 0.00 60.65 58.45 1cye h LYS 119 Cb 0.70 0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.41 1cye h LYS 119 CO -0.41 1.14 0.22 -0.07 -1.08 0.00 0.00 179.45 179.25 1cye h LEU 120 N 0.38 0.29 -0.50 2.94 3.38 -0.20 -2.67 115.31 118.92 1cye h LEU 120 Ca -0.03 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1cye h LEU 120 Cb 1.22 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.87 1cye h LEU 120 CO 0.12 0.21 0.03 0.78 0.09 0.00 0.00 178.44 179.67 1cye h ASN 121 N 0.43 -0.15 -0.43 -0.43 4.21 -0.66 -1.71 115.58 116.83 1cye h ASN 121 Ca 0.21 0.11 0.08 0.00 1.21 0.00 0.00 56.30 57.91 1cye h ASN 121 Cb 0.15 0.19 -0.07 0.00 -1.12 0.00 0.00 38.32 37.46 1cye h ASN 121 CO -0.17 -0.04 -0.00 0.50 -1.29 0.00 0.00 177.43 176.42 1cye h LYS 122 N 0.15 0.10 -0.06 0.81 3.64 -1.31 -1.06 116.57 118.85 1cye h LYS 122 Ca 0.26 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1cye h LYS 122 Cb 0.38 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1cye h LYS 122 CO -0.40 0.07 0.03 0.82 -2.27 0.00 0.00 179.45 177.71 1cye h ILE 123 N 0.11 1.03 -0.93 2.00 2.04 -1.14 -2.38 117.51 118.23 1cye h ILE 123 Ca 0.21 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 66.06 1cye h ILE 123 Cb 0.31 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 1cye h ILE 123 CO -0.36 0.03 0.61 -0.26 0.00 0.00 0.00 178.15 178.16 1cye h PHE 124 N 0.05 1.08 -0.56 1.37 0.04 -0.79 0.13 116.94 118.26 1cye h PHE 124 Ca 0.02 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 1cye h PHE 124 Cb 0.02 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 37.79 1cye h PHE 124 CO -0.07 0.55 0.22 0.93 -0.60 0.00 0.00 178.31 179.34 1cye h GLU 125 N 1.04 0.84 0.15 1.51 5.08 -0.75 0.21 114.58 122.66 1cye h GLU 125 Ca 0.41 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1cye h GLU 125 Cb 0.24 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1cye h GLU 125 CO -0.16 0.73 -0.07 0.87 -1.00 0.00 0.00 179.01 179.37 1cye h LYS 126 N 0.77 -0.19 -1.30 2.33 1.57 -0.87 -3.34 116.57 115.54 1cye h LYS 126 Ca 0.19 0.01 -0.33 0.00 -1.87 0.00 0.00 60.65 58.65 1cye h LYS 126 Cb 0.20 0.04 -0.16 0.00 0.08 0.00 0.00 32.23 32.39 1cye h LYS 126 CO -0.02 0.26 0.43 1.28 -0.57 0.00 0.00 179.45 180.83 1cye n LEU 127 N -4.91 6.04 -3.67 2.94 4.77 0.38 -4.89 117.00 117.66 1cye n LEU 127 Ca -0.08 -3.13 -0.21 0.00 -0.03 0.00 0.00 56.01 52.57 1cye n LEU 127 Cb 0.27 -0.92 -0.05 0.00 -2.33 0.00 0.00 43.42 40.39 1cye n LEU 127 CO 0.25 1.09 -0.26 0.61 -1.33 0.00 0.00 177.39 177.75 1cye n GLY 128 N 0.00 -0.15 3.46 -0.72 0.00 -0.95 -4.90 105.19 101.93 1cye n GLY 128 Ca 0.33 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1cye n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35