#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cye s SER 2 N 0.00 5.31 -1.03 0.55 1.04 -1.26 -4.90 113.70 113.42 1cye s SER 2 Ca 0.00 -1.64 -0.23 0.00 0.48 0.00 0.00 55.95 54.56 1cye s SER 2 Cb 0.00 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.52 1cye s SER 2 CO 0.00 -2.76 1.81 -0.62 0.98 0.00 0.00 173.24 172.65 1cye s ASP 3 N 6.35 5.61 0.46 7.02 -1.08 -1.26 -4.84 116.67 128.93 1cye s ASP 3 Ca 0.66 -1.25 0.20 0.00 -0.52 0.00 0.00 52.55 51.64 1cye s ASP 3 Cb -0.01 -2.57 1.17 0.00 -1.46 0.00 0.00 42.92 40.06 1cye s ASP 3 CO 0.10 -2.36 1.91 0.11 0.52 0.00 0.00 175.17 175.45 1cye h LYS 4 N 10.22 0.28 0.00 4.34 1.57 -1.91 -1.91 116.57 129.16 1cye h LYS 4 Ca 0.18 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1cye h LYS 4 Cb 0.98 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1cye h LYS 4 CO 1.29 0.19 0.00 -1.91 -0.57 0.00 0.00 179.45 178.45 1cye n GLU 5 N -4.44 0.74 -2.01 3.15 0.00 -1.26 -0.39 120.64 116.42 1cye n GLU 5 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.89 1cye n GLU 5 Cb 0.64 -1.22 -0.03 0.00 0.00 0.00 0.00 31.44 30.83 1cye n GLU 5 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1cye s LEU 6 N -1.45 4.36 -0.49 4.31 0.20 -0.72 -4.42 118.68 120.47 1cye s LEU 6 Ca 0.16 2.43 -0.26 0.00 0.69 0.00 0.00 54.13 57.15 1cye s LEU 6 Cb 0.07 -3.57 0.03 0.00 -0.43 0.00 0.00 46.19 42.29 1cye s LEU 6 CO 0.12 -0.81 0.98 -0.54 -0.29 0.00 0.00 176.35 175.81 1cye s LYS 7 N 2.04 3.51 -0.21 1.98 3.01 -1.25 -2.94 119.74 125.87 1cye s LYS 7 Ca 0.70 0.13 -0.10 0.00 -1.01 0.00 0.00 55.97 55.68 1cye s LYS 7 Cb -0.39 -3.96 -0.05 0.00 -1.01 0.00 0.00 37.83 32.42 1cye s LYS 7 CO 0.31 -1.35 0.15 -0.06 0.51 0.00 0.00 175.35 174.92 1cye s PHE 8 N 4.00 3.37 -0.57 3.18 0.40 0.47 -1.95 117.98 126.88 1cye s PHE 8 Ca 0.38 0.30 -0.08 0.00 -0.60 0.00 0.00 56.93 56.93 1cye s PHE 8 Cb -0.10 -2.22 0.15 0.00 0.51 0.00 0.00 43.02 41.36 1cye s PHE 8 CO 0.25 0.19 0.43 -1.17 0.70 0.00 0.00 175.22 175.63 1cye s LEU 9 N 0.67 5.72 -0.61 -0.37 1.98 -0.49 -0.34 118.68 125.24 1cye s LEU 9 Ca 0.08 -2.30 -0.28 0.00 -2.89 0.00 0.00 54.13 48.74 1cye s LEU 9 Cb -0.12 -1.99 0.03 0.00 0.66 0.00 0.00 46.19 44.77 1cye s LEU 9 CO 0.01 -0.58 1.25 -0.69 -1.89 0.00 0.00 176.35 174.45 1cye s VAL 10 N 0.77 3.92 -0.99 1.68 1.01 -0.61 -1.62 120.40 124.56 1cye s VAL 10 Ca 0.11 0.77 -0.03 0.00 0.00 0.00 0.00 61.98 62.83 1cye s VAL 10 Cb -0.22 -4.72 0.29 0.00 0.00 0.00 0.00 36.38 31.72 1cye s VAL 10 CO -0.03 -1.42 1.24 0.52 0.00 0.00 0.00 175.10 175.40 1cye n VAL 11 N 6.64 4.50 -3.67 2.92 0.31 0.88 -0.77 118.33 129.14 1cye n VAL 11 Ca 0.08 -5.66 -0.28 0.00 -0.01 0.00 0.00 64.34 58.48 1cye n VAL 11 Cb 0.49 -2.19 -0.11 0.00 -0.91 0.00 0.00 33.84 31.12 1cye n VAL 11 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1cye s ASP 12 N -1.29 3.28 0.00 4.52 1.11 -1.07 -0.12 116.67 123.10 1cye s ASP 12 Ca 0.32 -3.49 0.00 0.00 0.18 0.00 0.00 52.55 49.56 1cye s ASP 12 Cb 0.03 -1.09 0.00 0.00 1.07 0.00 0.00 42.92 42.93 1cye s ASP 12 CO 0.04 -0.12 0.00 -0.90 1.18 0.00 0.00 175.17 175.36 1cye n ASP 13 N 2.38 0.00 -4.62 0.27 5.75 -0.84 -3.62 116.55 115.86 1cye n ASP 13 Ca 0.24 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.66 1cye n ASP 13 Cb 0.41 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.40 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 -1.99 3.26 0.32 2.11 5.36 -1.26 -4.88 117.98 120.90 1cye s PHE 14 Ca 0.00 0.11 0.09 0.00 -0.96 0.00 0.00 56.93 56.17 1cye s PHE 14 Cb 0.00 -2.27 0.95 0.00 -0.34 0.00 0.00 43.02 41.36 1cye s PHE 14 CO 0.00 -0.02 1.60 0.77 -1.46 0.00 0.00 175.22 176.11 1cye h SER 15 N 7.67 -0.04 0.46 6.13 0.02 -1.99 -0.71 113.55 125.10 1cye h SER 15 Ca -0.37 0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1cye h SER 15 Cb 1.17 0.34 -0.01 0.00 0.14 0.00 0.00 62.40 64.04 1cye h SER 15 CO 0.63 -0.31 -0.31 0.74 -1.14 0.00 0.00 176.83 176.45 1cye h THR 16 N 0.09 0.37 -0.75 -2.27 2.02 -1.94 -1.40 112.91 109.02 1cye h THR 16 Ca 0.67 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.86 1cye h THR 16 Cb 1.54 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 1cye h THR 16 CO -0.78 0.00 0.49 -0.03 0.37 0.00 0.00 175.52 175.57 1cye h MET 17 N -0.74 0.98 -0.39 6.66 -1.53 -1.43 0.86 114.93 119.34 1cye h MET 17 Ca -0.05 -0.06 0.05 0.00 -3.44 0.00 0.00 59.70 56.21 1cye h MET 17 Cb 0.62 -0.22 -0.05 0.00 -0.55 0.00 0.00 31.60 31.40 1cye h MET 17 CO 0.04 0.65 0.10 0.00 0.14 0.00 0.00 176.91 177.83 1cye h ARG 18 N 1.01 0.23 -0.55 0.39 3.08 -1.09 -1.87 114.38 115.57 1cye h ARG 18 Ca 0.28 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.20 1cye h ARG 18 Cb -0.11 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1cye h ARG 18 CO -0.06 0.15 -0.10 -0.09 -1.07 0.00 0.00 179.97 178.79 1cye h ARG 19 N 0.24 1.04 -0.36 0.04 2.43 -0.53 -2.52 114.38 114.73 1cye h ARG 19 Ca 0.18 -0.38 0.04 0.00 -0.81 0.00 0.00 59.98 59.02 1cye h ARG 19 Cb 0.20 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1cye h ARG 19 CO -0.22 1.08 0.11 0.82 -1.51 0.00 0.00 179.97 180.25 1cye h ILE 20 N 0.93 0.88 -0.77 1.20 1.08 -0.41 -0.65 117.51 119.76 1cye h ILE 20 Ca 0.14 -0.09 -0.00 0.00 -0.39 0.00 0.00 64.86 64.53 1cye h ILE 20 Cb 0.67 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 34.99 1cye h ILE 20 CO 0.05 0.05 0.48 0.58 -0.69 0.00 0.00 178.15 178.62 1cye h VAL 21 N 0.25 1.21 -0.16 1.67 2.07 -1.20 -2.02 116.25 118.07 1cye h VAL 21 Ca 0.17 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1cye h VAL 21 Cb 0.15 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 29.98 1cye h VAL 21 CO -0.18 0.22 -0.20 -0.09 0.02 0.00 0.00 177.57 177.34 1cye h ARG 22 N 1.05 -0.22 -0.70 1.57 2.43 -0.93 -0.05 114.38 117.53 1cye h ARG 22 Ca 0.28 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.57 1cye h ARG 22 Cb -0.07 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.46 1cye h ARG 22 CO -0.06 -0.15 0.31 -0.91 -1.51 0.00 0.00 179.97 177.66 1cye h ASN 23 N -0.23 0.36 0.10 -3.80 -0.26 -0.56 0.45 115.58 111.64 1cye h ASN 23 Ca 0.11 0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.92 1cye h ASN 23 Cb 0.39 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 1cye h ASN 23 CO -0.30 0.19 -0.05 -0.07 -1.06 0.00 0.00 177.43 176.14 1cye h LEU 24 N 0.51 -0.12 -0.66 1.61 3.38 -0.70 -0.54 115.31 118.80 1cye h LEU 24 Ca 0.36 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.31 1cye h LEU 24 Cb 0.45 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 1cye h LEU 24 CO -0.32 0.01 0.35 -0.07 0.09 0.00 0.00 178.44 178.50 1cye h LEU 25 N -0.24 0.49 -0.32 1.67 3.38 -0.27 -0.81 115.31 119.21 1cye h LEU 25 Ca -0.01 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1cye h LEU 25 Cb 0.20 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1cye h LEU 25 CO 0.02 0.31 0.13 0.11 0.09 0.00 0.00 178.44 179.11 1cye h LYS 26 N 0.63 0.28 -0.94 1.13 1.79 -0.73 0.16 116.57 118.89 1cye h LYS 26 Ca 0.30 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.80 1cye h LYS 26 Cb 0.23 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.76 1cye h LYS 26 CO -0.21 0.18 0.61 1.49 -1.08 0.00 0.00 179.45 180.45 1cye h GLU 27 N 0.29 1.11 0.00 3.15 4.81 -0.47 -1.49 114.58 121.97 1cye h GLU 27 Ca 0.14 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.21 1cye h GLU 27 Cb 0.09 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1cye h GLU 27 CO -0.12 0.73 -0.46 -0.07 -0.73 0.00 0.00 179.01 178.36 1cye h LEU 28 N 1.14 0.00 0.00 1.64 3.38 -0.50 -3.48 115.31 117.49 1cye h LEU 28 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1cye h LEU 28 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1cye h LEU 28 CO -0.13 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.47 1cye n GLY 29 N 0.37 1.46 3.58 0.83 0.00 -0.32 -5.09 105.19 106.02 1cye n GLY 29 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 3.20 0.03 1.61 0.08 0.40 -4.56 117.98 116.74 1cye s PHE 30 Ca 0.00 0.34 -0.23 0.00 0.12 0.00 0.00 56.93 57.16 1cye s PHE 30 Cb 0.00 -2.89 -0.15 0.00 -0.57 0.00 0.00 43.02 39.41 1cye s PHE 30 CO 0.00 -0.47 1.41 -0.97 -0.10 0.00 0.00 175.22 175.09 1cye h ASN 31 N 8.33 0.18 -3.39 1.36 -0.00 -0.96 -3.35 115.58 117.75 1cye h ASN 31 Ca -0.28 -0.37 -0.65 0.00 -0.00 0.00 0.00 56.30 54.99 1cye h ASN 31 Cb 1.13 -0.05 -0.27 0.00 -0.00 0.00 0.00 38.32 39.13 1cye h ASN 31 CO 0.76 0.51 -0.72 0.20 -0.00 0.00 0.00 177.43 178.19 1cye s ASN 32 N -5.77 4.36 -0.14 1.15 0.01 -1.15 -5.04 114.94 108.36 1cye s ASN 32 Ca -0.15 -0.34 -0.04 0.00 -0.71 0.00 0.00 52.86 51.62 1cye s ASN 32 Cb 0.04 -1.74 0.05 0.00 0.41 0.00 0.00 41.25 40.02 1cye s ASN 32 CO 0.71 0.02 0.06 0.54 -1.51 0.00 0.00 177.10 176.92 1cye s VAL 33 N 1.22 0.09 -0.06 1.60 0.11 -1.26 -0.40 120.40 121.70 1cye s VAL 33 Ca 0.03 -0.11 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1cye s VAL 33 Cb -0.14 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.08 1cye s VAL 33 CO -0.01 -0.12 -0.05 -1.61 -3.33 0.00 0.00 175.10 169.98 1cye s GLU 34 N 2.06 2.79 -0.08 1.54 2.02 0.54 -4.95 118.70 122.63 1cye s GLU 34 Ca 0.02 -0.53 0.04 0.00 0.02 0.00 0.00 54.97 54.52 1cye s GLU 34 Cb -0.15 -2.64 0.00 0.00 0.10 0.00 0.00 34.13 31.44 1cye s GLU 34 CO -0.07 0.67 -0.20 -1.21 0.02 0.00 0.00 175.26 174.46 1cye s GLU 35 N -0.94 2.40 0.23 1.61 2.02 -1.26 -1.57 118.70 121.19 1cye s GLU 35 Ca 0.14 -0.71 0.11 0.00 0.02 0.00 0.00 54.97 54.52 1cye s GLU 35 Cb -0.11 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.16 1cye s GLU 35 CO 0.03 0.18 -0.14 0.00 0.02 0.00 0.00 175.26 175.34 1cye s ALA 36 N 0.30 2.83 -0.18 5.21 0.00 0.05 -4.96 121.76 125.01 1cye s ALA 36 Ca -0.13 -1.66 -0.15 0.00 0.00 0.00 0.00 51.96 50.01 1cye s ALA 36 Cb -0.16 -0.51 -0.10 0.00 0.00 0.00 0.00 23.12 22.35 1cye s ALA 36 CO 0.06 0.37 -0.08 0.39 0.00 0.00 0.00 175.76 176.49 1cye n GLU 37 N -0.27 0.51 -4.44 0.00 1.02 -1.26 -2.60 120.64 113.60 1cye n GLU 37 Ca -0.09 0.48 -0.22 0.00 -0.02 0.00 0.00 57.16 57.32 1cye n GLU 37 Cb 0.58 -1.66 -0.10 0.00 -0.02 0.00 0.00 31.44 30.24 1cye n GLU 37 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1cye s ASP 38 N -6.33 2.26 0.22 1.62 -4.77 -1.26 -1.99 116.67 106.42 1cye s ASP 38 Ca -0.24 -1.49 -0.19 0.00 -3.30 0.00 0.00 52.55 47.33 1cye s ASP 38 Cb 0.05 0.20 0.20 0.00 -1.09 0.00 0.00 42.92 42.28 1cye s ASP 38 CO 0.40 -0.76 1.55 1.23 0.70 0.00 0.00 175.17 178.30 1cye h GLY 39 N 2.05 -0.02 0.74 2.12 0.00 -1.50 -0.54 103.07 105.92 1cye h GLY 39 Ca -0.38 0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1cye h GLY 39 CO 0.63 -0.18 -0.35 -2.08 0.00 0.00 0.00 176.54 174.55 1cye h VAL 40 N -0.02 0.28 -0.78 4.60 2.07 -1.89 -0.46 116.25 120.05 1cye h VAL 40 Ca 0.32 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.92 1cye h VAL 40 Cb 0.58 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 1cye h VAL 40 CO -0.96 0.00 0.51 -0.78 0.02 0.00 0.00 177.57 176.36 1cye h ASP 41 N -0.80 0.69 0.08 0.57 3.58 -1.75 -1.54 116.42 117.26 1cye h ASP 41 Ca -0.05 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 1cye h ASP 41 Cb 0.68 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1cye h ASP 41 CO 0.00 0.43 -0.04 0.00 -2.88 0.00 0.00 179.24 176.75 1cye h ALA 42 N 1.59 -0.11 -0.35 -0.78 0.00 -0.65 -1.93 119.26 117.04 1cye h ALA 42 Ca 0.35 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.21 1cye h ALA 42 Cb 0.35 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1cye h ALA 42 CO -0.13 -0.46 -0.02 -0.07 0.00 0.00 0.00 179.25 178.57 1cye h LEU 43 N -0.32 -0.19 -0.05 0.00 3.38 -0.15 0.25 115.31 118.23 1cye h LEU 43 Ca -0.01 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1cye h LEU 43 Cb 0.27 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1cye h LEU 43 CO 0.02 -0.06 -0.33 0.78 0.09 0.00 0.00 178.44 178.94 1cye h ASN 44 N 0.07 -1.01 0.17 -0.43 -0.26 -1.29 0.12 115.58 112.95 1cye h ASN 44 Ca 0.17 0.14 0.00 0.00 -0.56 0.00 0.00 56.30 56.05 1cye h ASN 44 Cb 0.24 0.42 -0.01 0.00 -1.06 0.00 0.00 38.32 37.90 1cye h ASN 44 CO -0.30 -0.38 -0.15 0.11 -1.06 0.00 0.00 177.43 175.64 1cye h LYS 45 N -0.45 -0.33 -0.96 0.81 1.57 -0.73 -2.97 116.57 113.51 1cye h LYS 45 Ca 0.07 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.96 1cye h LYS 45 Cb 0.57 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.88 1cye h LYS 45 CO -0.31 -0.22 0.62 -0.07 -0.57 0.00 0.00 179.45 178.90 1cye h LEU 46 N -0.35 0.93 -2.50 2.94 3.38 0.13 -2.08 115.31 117.76 1cye h LEU 46 Ca -0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1cye h LEU 46 Cb 0.32 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1cye h LEU 46 CO -0.03 0.56 0.07 1.56 0.09 0.00 0.00 178.44 180.69 1cye h GLN 47 N 1.03 0.00 0.00 1.13 4.20 -0.61 -0.98 115.11 119.89 1cye h GLN 47 Ca 0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.15 1cye h GLN 47 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1cye h GLN 47 CO -0.19 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.97 1cye h ALA 48 N 1.90 1.00 0.00 3.87 0.00 -1.43 -3.50 119.26 121.11 1cye h ALA 48 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1cye h ALA 48 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 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 0.17 -1.80 4.13 0.00 0.00 -0.37 -5.00 105.19 102.32 1cye n GLY 49 Ca 0.01 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 0.00 1.52 3.65 -0.02 0.00 -1.26 -4.87 105.19 104.21 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 0.00 1.89 -2.14 1.61 2.02 -1.26 -4.43 117.35 115.03 1cye s TYR 51 Ca 0.00 0.22 0.22 0.00 -0.37 0.00 0.00 57.07 57.14 1cye s TYR 51 Cb 0.00 -3.96 0.51 0.00 -0.40 0.00 0.00 41.96 38.10 1cye s TYR 51 CO 0.00 -3.84 1.44 0.41 -1.57 0.00 0.00 175.55 171.99 1cye n GLY 52 N 4.37 2.09 3.64 0.71 0.00 -0.82 -4.96 105.19 110.21 1cye n GLY 52 Ca 0.18 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 1cye n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1cye s PHE 53 N -1.24 -0.67 -0.24 1.61 5.36 -1.09 -4.67 117.98 117.04 1cye s PHE 53 Ca 0.42 1.58 0.02 0.00 -0.96 0.00 0.00 56.93 57.99 1cye s PHE 53 Cb 0.23 0.35 0.06 0.00 -0.34 0.00 0.00 43.02 43.32 1cye s PHE 53 CO 0.31 -0.33 -0.10 0.08 -1.46 0.00 0.00 175.22 173.73 1cye s VAL 54 N 0.52 1.92 -0.44 3.12 1.01 0.15 -1.40 120.40 125.29 1cye s VAL 54 Ca -0.00 -1.42 -0.01 0.00 0.00 0.00 0.00 61.98 60.55 1cye s VAL 54 Cb -0.05 -2.06 0.12 0.00 0.00 0.00 0.00 36.38 34.39 1cye s VAL 54 CO -0.05 -0.00 0.21 -0.51 0.00 0.00 0.00 175.10 174.74 1cye s ILE 55 N 1.23 3.09 -0.06 2.22 2.07 -0.64 -0.27 121.20 128.85 1cye s ILE 55 Ca -0.07 -2.35 0.05 0.00 -1.41 0.00 0.00 60.65 56.88 1cye s ILE 55 Cb -0.19 -3.13 -0.01 0.00 0.13 0.00 0.00 42.46 39.25 1cye s ILE 55 CO -0.06 -0.71 -0.23 -0.55 -1.91 0.00 0.00 174.94 171.48 1cye s SER 56 N 1.31 3.28 0.14 4.50 0.15 0.15 -0.08 113.70 123.15 1cye s SER 56 Ca 0.11 -0.45 -0.30 0.00 0.70 0.00 0.00 55.95 56.01 1cye s SER 56 Cb -0.22 -0.85 -0.08 0.00 -1.71 0.00 0.00 66.02 63.16 1cye s SER 56 CO -0.05 0.26 1.26 -0.62 1.20 0.00 0.00 173.24 175.29 1cye s ASP 57 N -0.25 6.99 0.18 5.45 -1.08 0.83 -0.02 116.67 128.78 1cye s ASP 57 Ca -0.01 2.23 -0.14 0.00 -0.52 0.00 0.00 52.55 54.12 1cye s ASP 57 Cb -0.13 -2.60 0.13 0.00 -1.46 0.00 0.00 42.92 38.87 1cye s ASP 57 CO 0.03 -0.48 1.76 -0.25 0.52 0.00 0.00 175.17 176.75 1cye h TRP 58 N 5.96 0.35 -3.24 -5.34 2.91 -1.03 -2.90 115.95 112.67 1cye h TRP 58 Ca -0.43 0.02 -0.68 0.00 1.13 0.00 0.00 58.89 58.93 1cye h TRP 58 Cb 1.21 -0.09 -0.17 0.00 -0.51 0.00 0.00 29.16 29.60 1cye h TRP 58 CO 0.64 0.15 0.11 1.21 -1.03 0.00 0.00 178.44 179.52 1cye s ASN 59 N -5.42 6.24 -0.01 2.65 2.47 -1.26 -0.66 114.94 118.94 1cye s ASN 59 Ca -0.13 -0.85 -0.00 0.00 0.42 0.00 0.00 52.86 52.29 1cye s ASN 59 Cb 0.14 -2.31 0.02 0.00 -1.45 0.00 0.00 41.25 37.65 1cye s ASN 59 CO 0.73 -0.94 0.03 -0.04 -3.72 0.00 0.00 177.10 173.16 1cye s MET 60 N 2.79 -0.01 0.43 0.43 -1.94 -1.26 -4.75 119.30 114.98 1cye s MET 60 Ca 0.17 0.12 -0.26 0.00 -1.71 0.00 0.00 55.69 54.01 1cye s MET 60 Cb -0.18 -0.14 -0.09 0.00 2.01 0.00 0.00 34.83 36.43 1cye s MET 60 CO 0.13 -0.10 1.37 -2.30 -0.01 0.00 0.00 175.02 174.11 1cye n PRO 61 N 3.70 2.17 0.00 2.03 -0.02 -1.26 -3.14 135.00 138.48 1cye n PRO 61 Ca -0.21 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1cye n PRO 61 Cb 0.54 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1cye n PRO 61 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1cye n ASN 62 N 0.07 0.00 -4.07 2.55 4.13 -1.26 -4.42 115.26 112.26 1cye n ASN 62 Ca 0.05 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.97 1cye n ASN 62 Cb 0.40 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.52 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 1.92 1.07 3.52 1.75 -1.26 -5.04 119.30 121.26 1cye s MET 63 Ca 0.00 -2.01 -0.12 0.00 -1.25 0.00 0.00 55.69 52.31 1cye s MET 63 Cb 0.00 -3.47 0.23 0.00 2.84 0.00 0.00 34.83 34.43 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 1.19 1.71 0.15 1.11 1.47 -1.19 -1.56 116.67 119.55 1cye s ASP 64 Ca 0.11 1.77 -0.26 0.00 1.18 0.00 0.00 52.55 55.35 1cye s ASP 64 Cb -0.22 -2.41 -0.01 0.00 -0.34 0.00 0.00 42.92 39.95 1cye s ASP 64 CO -0.05 -3.79 1.59 1.23 0.68 0.00 0.00 175.17 174.83 1cye h GLY 65 N -2.34 -0.50 0.73 2.12 0.00 -0.67 -0.08 103.07 102.33 1cye h GLY 65 Ca -0.55 0.47 0.05 0.00 0.00 0.00 0.00 47.33 47.31 1cye h GLY 65 CO 0.47 -0.21 0.43 -2.00 0.00 0.00 0.00 176.54 175.23 1cye h LEU 66 N -0.38 0.67 -0.54 3.11 5.85 -1.85 -1.04 115.31 121.13 1cye h LEU 66 Ca 0.12 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1cye h LEU 66 Cb 0.58 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1cye h LEU 66 CO -0.46 0.44 0.06 -0.08 -0.34 0.00 0.00 178.44 178.06 1cye h GLU 67 N 0.80 0.92 -0.44 1.25 4.81 -1.68 -2.02 114.58 118.22 1cye h GLU 67 Ca 0.32 -0.26 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1cye h GLU 67 Cb 0.15 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 1cye h GLU 67 CO -0.16 0.91 0.21 1.25 -0.73 0.00 0.00 179.01 180.48 1cye h LEU 68 N 0.81 0.30 -0.41 1.64 7.12 -0.34 -1.01 115.31 123.41 1cye h LEU 68 Ca 0.16 0.03 0.06 0.00 0.13 0.00 0.00 57.88 58.26 1cye h LEU 68 Cb 0.45 -0.03 -0.05 0.00 -0.53 0.00 0.00 40.66 40.50 1cye h LEU 68 CO 0.02 0.21 0.09 0.25 -0.13 0.00 0.00 178.44 178.88 1cye h LEU 69 N 0.42 0.03 -0.26 2.25 5.85 -0.95 -2.14 115.31 120.52 1cye h LEU 69 Ca 0.19 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1cye h LEU 69 Cb 0.11 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1cye h LEU 69 CO -0.14 0.05 0.17 0.11 -0.34 0.00 0.00 178.44 178.29 1cye h LYS 70 N 0.23 0.34 -0.26 1.25 1.57 -0.70 -0.01 116.57 118.99 1cye h LYS 70 Ca 0.20 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.03 1cye h LYS 70 Cb 0.24 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1cye h LYS 70 CO -0.25 0.22 0.20 1.79 -0.57 0.00 0.00 179.45 180.84 1cye h THR 71 N 0.35 0.79 0.00 -0.16 1.35 -0.65 0.66 112.91 115.25 1cye h THR 71 Ca 0.09 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.95 1cye h THR 71 Cb -0.04 0.86 -0.00 0.00 -1.73 0.00 0.00 68.15 67.24 1cye h THR 71 CO -0.02 0.00 -0.10 0.40 -0.25 0.00 0.00 175.52 175.55 1cye h ILE 72 N 0.00 0.33 -0.69 6.82 2.04 -0.67 -3.22 117.51 122.12 1cye h ILE 72 Ca 0.12 -1.26 0.15 0.00 1.00 0.00 0.00 64.86 64.87 1cye h ILE 72 Cb 0.52 0.64 -0.12 0.00 -0.74 0.00 0.00 36.82 37.12 1cye h ILE 72 CO -0.00 0.11 0.02 0.03 0.00 0.00 0.00 178.15 178.31 1cye h ARG 73 N -1.00 0.12 0.00 2.37 2.47 -0.64 -0.22 114.38 117.48 1cye h ARG 73 Ca -0.01 -0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.64 1cye h ARG 73 Cb 0.27 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.56 1cye h ARG 73 CO -0.01 0.08 -0.30 0.00 0.56 0.00 0.00 179.97 180.30 1cye h ALA 74 N 1.63 1.01 -1.51 0.04 0.00 -1.06 -3.40 119.26 115.97 1cye h ALA 74 Ca 0.37 -0.27 -0.61 0.00 0.00 0.00 0.00 54.91 54.40 1cye h ALA 74 Cb 0.62 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.24 1cye h ALA 74 CO -0.59 0.37 0.93 0.34 0.00 0.00 0.00 179.25 180.31 1cye s ASP 75 N -6.32 6.31 0.00 0.00 -1.08 -0.11 -4.95 116.67 110.52 1cye s ASP 75 Ca 0.00 -1.09 0.00 0.00 -0.52 0.00 0.00 52.55 50.94 1cye s ASP 75 Cb 0.10 -2.49 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 1cye s ASP 75 CO 0.66 -1.51 0.00 0.61 0.52 0.00 0.00 175.17 175.45 1cye n GLY 76 N 5.67 0.00 0.22 2.66 0.00 -1.26 -0.53 105.19 111.95 1cye n GLY 76 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.68 0.00 4.61 0.00 -1.92 -3.00 119.26 119.63 1cye h ALA 77 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1cye h ALA 77 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1cye h ALA 77 CO 0.00 0.14 -0.19 0.52 0.00 0.00 0.00 179.25 179.72 1cye h MET 78 N 0.73 0.00 -1.26 0.00 2.86 -1.15 -3.38 114.93 112.73 1cye h MET 78 Ca 0.20 0.00 0.44 0.00 -2.06 0.00 0.00 59.70 58.27 1cye h MET 78 Cb -0.06 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.47 1cye h MET 78 CO -0.04 0.19 0.81 0.45 1.06 0.00 0.00 176.91 179.37 1cye n SER 79 N -3.22 0.19 -0.09 1.22 2.88 0.31 -1.04 113.62 113.87 1cye n SER 79 Ca 0.02 1.26 0.15 0.00 -1.33 0.00 0.00 58.87 58.97 1cye n SER 79 Cb 0.51 -0.62 0.79 0.00 -0.75 0.00 0.00 64.21 64.13 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 -2.53 2.65 -2.07 -1.46 0.00 -1.26 -4.55 120.51 111.29 1cye n ALA 80 Ca 0.37 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 1cye n ALA 80 Cb 1.43 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.19 3.55 0.01 0.00 1.43 -0.20 -4.94 118.68 116.34 1cye s LEU 81 Ca 0.40 1.24 -0.34 0.00 -1.03 0.00 0.00 54.13 54.40 1cye s LEU 81 Cb 0.21 -3.53 -0.13 0.00 0.03 0.00 0.00 46.19 42.78 1cye s LEU 81 CO 0.40 -1.62 1.75 -0.81 0.23 0.00 0.00 176.35 176.30 1cye n PRO 82 N 8.31 2.14 -3.92 1.29 -0.04 -1.26 -4.78 135.00 136.73 1cye n PRO 82 Ca 0.21 0.78 -0.35 0.00 -0.04 0.00 0.00 63.50 64.10 1cye n PRO 82 Cb 0.47 -2.59 -0.14 0.00 -0.04 0.00 0.00 33.50 31.20 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 2.71 3.25 -0.44 0.52 1.01 -1.26 -0.68 120.40 125.53 1cye s VAL 83 Ca 0.87 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 62.19 1cye s VAL 83 Cb -0.70 -2.50 0.11 0.00 0.00 0.00 0.00 36.38 33.29 1cye s VAL 83 CO 0.46 0.39 0.27 -0.22 0.00 0.00 0.00 175.10 176.01 1cye s LEU 84 N 1.45 5.40 -0.57 3.92 2.96 0.63 -1.43 118.68 131.04 1cye s LEU 84 Ca 0.05 -1.86 -0.28 0.00 -0.22 0.00 0.00 54.13 51.82 1cye s LEU 84 Cb -0.15 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.62 1cye s LEU 84 CO -0.04 -0.61 1.44 -0.04 -1.32 0.00 0.00 176.35 175.79 1cye s MET 85 N 1.30 3.25 -0.74 1.98 -1.94 0.06 -0.68 119.30 122.54 1cye s MET 85 Ca 0.06 0.43 -0.24 0.00 -1.71 0.00 0.00 55.69 54.23 1cye s MET 85 Cb -0.24 -4.15 0.05 0.00 2.01 0.00 0.00 34.83 32.51 1cye s MET 85 CO -0.01 -2.00 1.15 0.08 -0.01 0.00 0.00 175.02 174.23 1cye s VAL 86 N 6.23 4.05 -0.07 -6.03 1.01 0.97 -0.84 120.40 125.72 1cye s VAL 86 Ca 0.52 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 62.19 1cye s VAL 86 Cb -0.11 -4.83 -0.05 0.00 0.00 0.00 0.00 36.38 31.40 1cye s VAL 86 CO 0.24 -1.68 0.53 0.42 0.00 0.00 0.00 175.10 174.61 1cye s THR 87 N 4.80 5.09 0.16 3.92 -4.23 0.11 -0.35 115.64 125.13 1cye s THR 87 Ca 0.30 1.07 -0.16 0.00 -1.18 0.00 0.00 61.69 61.73 1cye s THR 87 Cb -0.11 -3.86 0.03 0.00 1.34 0.00 0.00 72.50 69.90 1cye s THR 87 CO 0.09 0.36 1.80 0.00 -0.54 0.00 0.00 174.62 176.34 1cye h ALA 88 N 6.27 0.53 -2.59 3.99 0.00 -1.91 -2.86 119.26 122.69 1cye h ALA 88 Ca -0.43 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.23 1cye h ALA 88 Cb 1.19 -0.12 -0.33 0.00 0.00 0.00 0.00 17.79 18.52 1cye h ALA 88 CO 0.73 -0.07 -0.55 -2.00 0.00 0.00 0.00 179.25 177.36 1cye s GLU 89 N -6.15 0.20 -0.76 0.00 2.12 -1.26 -4.42 118.70 108.43 1cye s GLU 89 Ca -0.13 0.54 -0.26 0.00 0.36 0.00 0.00 54.97 55.48 1cye s GLU 89 Cb 0.11 -0.48 0.02 0.00 0.26 0.00 0.00 34.13 34.05 1cye s GLU 89 CO 0.72 -0.46 1.42 0.00 -0.54 0.00 0.00 175.26 176.40 1cye s ALA 90 N 2.41 2.61 -0.01 6.30 0.00 -1.26 -4.99 121.76 126.82 1cye s ALA 90 Ca 0.05 -1.36 0.05 0.00 0.00 0.00 0.00 51.96 50.70 1cye s ALA 90 Cb -0.14 -4.31 -0.03 0.00 0.00 0.00 0.00 23.12 18.65 1cye s ALA 90 CO -0.11 -3.48 -0.15 0.15 0.00 0.00 0.00 175.76 172.17 1cye s LYS 91 N 5.91 2.35 0.30 0.00 1.02 -1.26 -5.04 119.74 123.01 1cye s LYS 91 Ca 0.43 -0.80 0.06 0.00 0.02 0.00 0.00 55.97 55.67 1cye s LYS 91 Cb -0.08 -2.32 0.82 0.00 -0.52 0.00 0.00 37.83 35.73 1cye s LYS 91 CO 0.13 0.59 1.44 0.36 -0.92 0.00 0.00 175.35 176.95 1cye n LYS 92 N 1.97 -0.07 0.07 1.68 -0.00 -1.26 -1.29 118.16 119.26 1cye n LYS 92 Ca -0.17 1.35 -0.11 0.00 -0.00 0.00 0.00 58.31 59.38 1cye n LYS 92 Cb 0.52 -2.21 -0.05 0.00 -0.00 0.00 0.00 35.03 33.30 1cye n LYS 92 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1cye h GLU 93 N 0.00 -0.33 -0.43 -1.58 4.57 -2.00 -0.19 114.58 114.62 1cye h GLU 93 Ca 0.60 0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.70 1cye h GLU 93 Cb 1.34 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.99 1cye h GLU 93 CO -0.83 -0.22 -0.15 -2.95 -1.18 0.00 0.00 179.01 173.68 1cye h ASN 94 N -0.34 0.81 0.01 1.04 -1.07 -1.58 -1.94 115.58 112.51 1cye h ASN 94 Ca 0.05 -0.26 0.01 0.00 0.07 0.00 0.00 56.30 56.17 1cye h ASN 94 Cb 0.40 -0.22 -0.02 0.00 -2.07 0.00 0.00 38.32 36.41 1cye h ASN 94 CO -0.16 0.96 -0.09 0.40 0.07 0.00 0.00 177.43 178.61 1cye h ILE 95 N 0.72 0.78 0.04 6.14 2.04 -0.83 0.35 117.51 126.75 1cye h ILE 95 Ca 0.11 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.99 1cye h ILE 95 Cb 0.65 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1cye h ILE 95 CO 0.05 0.00 -0.11 0.40 0.00 0.00 0.00 178.15 178.49 1cye h ILE 96 N -0.16 0.74 -0.66 -0.67 2.04 -0.86 -2.28 117.51 115.67 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 0.19 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 36.95 1cye h ILE 96 CO -0.08 0.00 0.32 0.00 0.00 0.00 0.00 178.15 178.39 1cye h ALA 97 N 0.73 0.89 -0.28 1.87 0.00 -1.22 -1.58 119.26 119.67 1cye h ALA 97 Ca 0.03 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1cye h ALA 97 Cb 0.23 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1cye h ALA 97 CO -0.08 -0.07 0.13 0.00 0.00 0.00 0.00 179.25 179.23 1cye h ALA 98 N 1.40 0.34 -0.47 0.00 0.00 -0.48 -2.18 119.26 117.87 1cye h ALA 98 Ca 0.32 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1cye h ALA 98 Cb 0.32 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1cye h ALA 98 CO -0.25 -0.26 0.25 0.00 0.00 0.00 0.00 179.25 178.99 1cye h ALA 99 N 1.15 0.60 -0.24 0.00 0.00 -0.87 -1.96 119.26 117.94 1cye h ALA 99 Ca 0.12 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1cye h ALA 99 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1cye h ALA 99 CO -0.09 0.14 0.16 1.96 0.00 0.00 0.00 179.25 181.42 1cye h GLN 100 N 0.62 0.20 -0.01 0.00 4.20 -0.92 -2.57 115.11 116.64 1cye h GLN 100 Ca 0.16 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1cye h GLN 100 Cb 0.07 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1cye h GLN 100 CO -0.03 0.13 -0.38 0.00 -0.67 0.00 0.00 178.83 177.89 1cye n ALA 101 N -2.53 3.35 0.00 3.87 0.00 -0.85 -4.99 120.51 119.36 1cye n ALA 101 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1cye n ALA 101 Cb 0.16 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 1.39 1.00 3.68 0.00 0.00 -0.97 -4.45 105.19 105.83 1cye n GLY 102 Ca 0.10 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.66 1cye n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cye n ALA 103 N -0.89 1.18 0.17 4.61 0.00 -0.77 -4.85 120.51 119.97 1cye n ALA 103 Ca 0.00 0.28 0.02 0.00 0.00 0.00 0.00 53.44 53.74 1cye n ALA 103 Cb 0.00 -2.55 0.35 0.00 0.00 0.00 0.00 19.45 17.26 1cye n ALA 103 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1cye h SER 104 N 9.34 0.07 -5.41 0.00 0.02 -1.59 -3.44 113.55 112.55 1cye h SER 104 Ca -0.49 -0.02 0.33 0.00 -0.84 0.00 0.00 61.79 60.77 1cye h SER 104 Cb 1.26 -0.02 -0.14 0.00 0.14 0.00 0.00 62.40 63.64 1cye h SER 104 CO 0.94 0.40 0.88 -0.83 -1.14 0.00 0.00 176.83 177.08 1cye s GLY 105 N -4.25 -0.40 -0.03 -3.77 0.00 -0.72 -4.45 107.32 93.71 1cye s GLY 105 Ca -0.04 1.02 -0.02 0.00 0.00 0.00 0.00 44.72 45.68 1cye s GLY 105 CO 0.73 0.25 0.07 -2.52 0.00 0.00 0.00 173.10 171.63 1cye s TYR 106 N -2.30 -0.08 -0.10 1.90 1.13 -1.26 -0.76 117.35 115.89 1cye s TYR 106 Ca 0.13 0.22 0.02 0.00 -1.41 0.00 0.00 57.07 56.03 1cye s TYR 106 Cb 0.04 -0.02 0.01 0.00 -1.10 0.00 0.00 41.96 40.90 1cye s TYR 106 CO -0.04 -0.06 -0.14 0.54 -2.51 0.00 0.00 175.55 173.33 1cye s VAL 107 N 0.30 1.39 0.00 -3.49 0.11 -0.02 -4.92 120.40 113.77 1cye s VAL 107 Ca -0.02 -0.59 -0.20 0.00 -2.93 0.00 0.00 61.98 58.24 1cye s VAL 107 Cb -0.03 -1.27 -0.06 0.00 -1.53 0.00 0.00 36.38 33.49 1cye s VAL 107 CO -0.01 0.42 0.59 0.54 -3.33 0.00 0.00 175.10 173.30 1cye s VAL 108 N 0.92 4.89 0.05 2.04 0.11 -1.26 -0.71 120.40 126.44 1cye s VAL 108 Ca -0.09 1.23 -0.14 0.00 -2.93 0.00 0.00 61.98 60.06 1cye s VAL 108 Cb -0.15 -3.92 -0.06 0.00 -1.53 0.00 0.00 36.38 30.72 1cye s VAL 108 CO 0.00 0.44 0.44 -1.59 -3.33 0.00 0.00 175.10 171.06 1cye s LYS 109 N -0.31 3.90 0.07 1.54 -2.85 -1.08 -3.46 119.74 117.55 1cye s LYS 109 Ca 0.31 0.38 -0.31 0.00 -1.00 0.00 0.00 55.97 55.35 1cye s LYS 109 Cb -0.18 -3.11 -0.06 0.00 -2.06 0.00 0.00 37.83 32.42 1cye s LYS 109 CO 0.17 0.61 1.24 -1.25 0.10 0.00 0.00 175.35 176.23 1cye s PRO 110 N -1.48 4.40 -0.03 1.78 0.04 -1.26 -4.85 135.00 133.61 1cye s PRO 110 Ca 0.29 1.83 0.08 0.00 0.04 0.00 0.00 61.00 63.24 1cye s PRO 110 Cb -0.16 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 1cye s PRO 110 CO 0.16 -0.30 -0.25 -0.59 0.04 0.00 0.00 177.00 176.05 1cye s PHE 111 N 1.12 2.30 0.55 0.56 -0.71 -1.22 -5.13 117.98 115.45 1cye s PHE 111 Ca 0.60 -0.47 0.06 0.00 -1.04 0.00 0.00 56.93 56.08 1cye s PHE 111 Cb -0.31 -1.49 0.07 0.00 -1.21 0.00 0.00 43.02 40.08 1cye s PHE 111 CO 0.29 -0.07 0.76 0.95 -1.34 0.00 0.00 175.22 175.82 1cye s THR 112 N -0.53 2.45 0.37 -4.49 -4.23 -1.26 -4.90 115.64 103.05 1cye s THR 112 Ca 0.08 -0.89 0.08 0.00 -1.18 0.00 0.00 61.69 59.78 1cye s THR 112 Cb -0.10 -2.56 0.31 0.00 1.34 0.00 0.00 72.50 71.49 1cye s THR 112 CO -0.00 0.00 1.92 0.00 -0.54 0.00 0.00 174.62 176.00 1cye h ALA 113 N 0.18 1.80 -0.15 3.99 0.00 -1.99 0.46 119.26 123.54 1cye h ALA 113 Ca -0.35 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1cye h ALA 113 Cb 1.28 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1cye h ALA 113 CO 0.43 0.03 -0.02 0.00 0.00 0.00 0.00 179.25 179.69 1cye h ALA 114 N 1.61 0.21 -0.42 0.00 0.00 -1.95 0.58 119.26 119.28 1cye h ALA 114 Ca 0.37 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1cye h ALA 114 Cb 0.50 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1cye h ALA 114 CO -0.14 -0.05 0.27 1.15 0.00 0.00 0.00 179.25 180.47 1cye h THR 115 N -0.00 1.08 -0.01 0.00 2.02 -1.76 -0.85 112.91 113.39 1cye h THR 115 Ca 0.04 -0.19 0.02 0.00 0.77 0.00 0.00 66.41 67.06 1cye h THR 115 Cb 0.44 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1cye h THR 115 CO 0.01 0.10 -0.12 0.25 0.37 0.00 0.00 175.52 176.14 1cye h LEU 116 N 0.54 -0.34 -0.51 2.58 5.85 -0.75 -1.97 115.31 120.71 1cye h LEU 116 Ca 0.16 0.05 0.08 0.00 0.84 0.00 0.00 57.88 59.01 1cye h LEU 116 Cb -0.04 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 1cye h LEU 116 CO -0.05 -0.16 0.15 -0.08 -0.34 0.00 0.00 178.44 177.96 1cye h GLU 117 N -0.19 0.30 -0.65 1.25 4.22 -0.40 -1.01 114.58 118.10 1cye h GLU 117 Ca 0.05 -0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.49 1cye h GLU 117 Cb 0.25 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1cye h GLU 117 CO -0.13 0.20 0.41 0.93 -2.18 0.00 0.00 179.01 178.24 1cye h GLU 118 N 0.31 0.79 -0.51 1.92 5.08 -0.70 -2.39 114.58 119.08 1cye h GLU 118 Ca 0.25 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 1cye h GLU 118 Cb 0.31 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1cye h GLU 118 CO -0.29 0.52 0.05 0.87 -1.00 0.00 0.00 179.01 179.16 1cye h LYS 119 N 0.81 0.86 -0.48 2.33 1.79 -0.59 -2.98 116.57 118.32 1cye h LYS 119 Ca 0.26 -0.25 0.08 0.00 -2.18 0.00 0.00 60.65 58.56 1cye h LYS 119 Cb -0.01 -0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 30.48 1cye h LYS 119 CO -0.09 0.87 0.08 -0.07 -1.08 0.00 0.00 179.45 179.16 1cye h LEU 120 N 0.73 -0.02 -0.05 2.94 3.38 -0.81 -2.01 115.31 119.48 1cye h LEU 120 Ca 0.15 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.24 1cye h LEU 120 Cb 0.45 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1cye h LEU 120 CO 0.02 0.02 -0.31 0.78 0.09 0.00 0.00 178.44 179.04 1cye h ASN 121 N 0.22 -0.94 -0.39 -0.43 2.35 -1.30 -1.24 115.58 113.86 1cye h ASN 121 Ca 0.24 0.13 0.08 0.00 -0.55 0.00 0.00 56.30 56.19 1cye h ASN 121 Cb 0.32 0.39 -0.07 0.00 0.05 0.00 0.00 38.32 39.00 1cye h ASN 121 CO -0.32 -0.36 -0.09 0.11 -1.65 0.00 0.00 177.43 175.12 1cye h LYS 122 N -0.43 0.01 -0.45 0.81 1.57 -1.32 -1.89 116.57 114.87 1cye h LYS 122 Ca 0.07 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1cye h LYS 122 Cb 0.54 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1cye h LYS 122 CO -0.29 0.01 0.29 0.82 -0.57 0.00 0.00 179.45 179.71 1cye h ILE 123 N 0.01 1.12 -0.34 1.86 2.04 -0.94 -2.26 117.51 119.00 1cye h ILE 123 Ca 0.19 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1cye h ILE 123 Cb 0.28 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1cye h ILE 123 CO -0.39 0.12 0.13 -0.26 0.00 0.00 0.00 178.15 177.74 1cye h PHE 124 N 0.60 0.47 -0.44 1.37 0.04 -0.64 -2.20 116.94 116.15 1cye h PHE 124 Ca 0.16 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 1cye h PHE 124 Cb -0.06 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 1cye h PHE 124 CO -0.04 0.39 0.25 0.93 -0.60 0.00 0.00 178.31 179.24 1cye h GLU 125 N 0.48 0.61 -0.38 1.51 5.08 -0.76 -0.92 114.58 120.20 1cye h GLU 125 Ca 0.12 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1cye h GLU 125 Cb 0.12 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1cye h GLU 125 CO -0.01 0.47 0.17 0.87 -1.00 0.00 0.00 179.01 179.51 1cye h LYS 126 N 0.58 0.52 0.00 2.33 1.57 -1.22 -1.14 116.57 119.20 1cye h LYS 126 Ca 0.16 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1cye h LYS 126 Cb 0.03 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1cye h LYS 126 CO -0.03 0.42 0.00 1.28 -0.57 0.00 0.00 179.45 180.55 1cye n LEU 127 N -4.41 0.00 0.00 2.94 4.77 -0.84 -4.87 117.00 114.59 1cye n LEU 127 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1cye n LEU 127 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1cye n LEU 127 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1cye n GLY 128 N 0.56 0.71 0.80 -0.72 0.00 -0.43 -5.07 105.19 101.04 1cye n GLY 128 Ca 0.09 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1cye n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35