#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 6.29 -0.38 0.55 0.15 -1.26 -4.75 113.70 114.30 1cye s SER 2 Ca 0.00 -1.07 -0.06 0.00 0.70 0.00 0.00 55.95 55.51 1cye s SER 2 Cb 0.00 -2.57 -0.19 0.00 -1.71 0.00 0.00 66.02 61.56 1cye s SER 2 CO 0.00 -1.70 3.37 -0.90 1.20 0.00 0.00 173.24 175.22 1cye n ASP 3 N 9.42 6.10 -0.11 5.45 5.68 -1.26 -4.64 116.55 137.20 1cye n ASP 3 Ca 0.24 -2.60 -0.10 0.00 -0.50 0.00 0.00 54.79 51.83 1cye n ASP 3 Cb 0.50 -1.42 -0.03 0.00 -1.14 0.00 0.00 41.12 39.03 1cye n ASP 3 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1cye h LYS 4 N 3.40 0.53 -2.68 0.11 1.79 -1.91 -3.24 116.57 114.59 1cye h LYS 4 Ca 0.35 -0.15 -0.74 0.00 -2.18 0.00 0.00 60.65 57.94 1cye h LYS 4 Cb 1.17 -0.06 -0.11 0.00 -1.58 0.00 0.00 32.23 31.65 1cye h LYS 4 CO 0.62 0.63 2.54 -1.91 -1.08 0.00 0.00 179.45 180.25 1cye n GLU 5 N -4.60 4.49 -4.23 3.15 2.13 -1.26 -1.48 120.64 118.84 1cye n GLU 5 Ca -0.02 -3.35 -0.34 0.00 0.66 0.00 0.00 57.16 54.11 1cye n GLU 5 Cb 0.23 -2.66 -0.11 0.00 0.27 0.00 0.00 31.44 29.17 1cye n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1cye s LEU 6 N -1.86 3.53 -0.66 4.31 0.20 -1.22 -4.90 118.68 118.06 1cye s LEU 6 Ca 0.55 -0.01 -0.27 0.00 0.69 0.00 0.00 54.13 55.09 1cye s LEU 6 Cb 0.18 -1.86 0.02 0.00 -0.43 0.00 0.00 46.19 44.10 1cye s LEU 6 CO -0.09 0.19 1.34 -0.54 -0.29 0.00 0.00 176.35 176.97 1cye s LYS 7 N 0.22 3.22 -0.12 1.98 -0.14 -1.25 -3.12 119.74 120.54 1cye s LYS 7 Ca 0.01 0.07 -0.06 0.00 -1.36 0.00 0.00 55.97 54.63 1cye s LYS 7 Cb -0.13 -4.16 -0.04 0.00 -1.68 0.00 0.00 37.83 31.82 1cye s LYS 7 CO 0.02 -2.07 0.09 -0.06 -0.76 0.00 0.00 175.35 172.57 1cye s PHE 8 N 5.96 3.43 -0.27 3.18 0.40 0.74 -2.16 117.98 129.26 1cye s PHE 8 Ca 0.43 0.38 0.00 0.00 -0.60 0.00 0.00 56.93 57.14 1cye s PHE 8 Cb -0.09 -1.92 0.05 0.00 0.51 0.00 0.00 43.02 41.57 1cye s PHE 8 CO 0.20 0.59 -0.06 -1.17 0.70 0.00 0.00 175.22 175.47 1cye s LEU 9 N -0.79 3.50 -0.75 -0.37 0.20 -0.22 -0.26 118.68 119.99 1cye s LEU 9 Ca 0.13 -1.22 -0.22 0.00 0.69 0.00 0.00 54.13 53.51 1cye s LEU 9 Cb -0.12 -1.63 0.08 0.00 -0.43 0.00 0.00 46.19 44.09 1cye s LEU 9 CO 0.03 -0.20 1.07 -0.69 -0.29 0.00 0.00 176.35 176.27 1cye s VAL 10 N 1.21 4.32 -1.06 1.68 1.01 0.82 -0.90 120.40 127.47 1cye s VAL 10 Ca -0.05 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 1cye s VAL 10 Cb -0.19 -4.76 0.29 0.00 0.00 0.00 0.00 36.38 31.73 1cye s VAL 10 CO -0.04 -1.54 1.28 0.52 0.00 0.00 0.00 175.10 175.32 1cye n VAL 11 N 5.95 4.80 -3.76 2.92 0.31 0.13 -0.84 118.33 127.85 1cye n VAL 11 Ca 0.06 -5.67 -0.29 0.00 -0.01 0.00 0.00 64.34 58.42 1cye n VAL 11 Cb 0.47 -2.27 -0.13 0.00 -0.91 0.00 0.00 33.84 31.01 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 -0.70 3.75 0.00 4.52 1.11 -1.05 -1.33 116.67 122.98 1cye s ASP 12 Ca 0.31 -2.97 0.00 0.00 0.18 0.00 0.00 52.55 50.07 1cye s ASP 12 Cb -0.00 -1.19 0.00 0.00 1.07 0.00 0.00 42.92 42.80 1cye s ASP 12 CO 0.02 -0.22 0.00 -0.90 1.18 0.00 0.00 175.17 175.26 1cye n ASP 13 N 3.10 0.00 -4.73 0.27 5.75 -0.70 -3.01 116.55 117.23 1cye n ASP 13 Ca 0.12 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.49 1cye n ASP 13 Cb 0.36 0.00 -0.04 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 -2.81 3.75 0.21 2.11 5.36 -1.26 -4.84 117.98 120.49 1cye s PHE 14 Ca 0.00 1.66 -0.14 0.00 -0.96 0.00 0.00 56.93 57.48 1cye s PHE 14 Cb 0.00 -2.99 0.24 0.00 -0.34 0.00 0.00 43.02 39.93 1cye s PHE 14 CO 0.00 0.18 1.61 0.66 -1.46 0.00 0.00 175.22 176.21 1cye h SER 15 N 5.89 -0.74 -0.03 6.13 4.64 -2.00 0.11 113.55 127.56 1cye h SER 15 Ca -0.43 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1cye h SER 15 Cb 1.21 0.45 -0.00 0.00 -0.31 0.00 0.00 62.40 63.75 1cye h SER 15 CO 0.72 -0.24 0.02 0.74 -0.87 0.00 0.00 176.83 177.20 1cye h THR 16 N -0.04 1.01 -0.53 2.95 2.02 -1.93 -1.64 112.91 114.76 1cye h THR 16 Ca 0.31 -0.03 0.04 0.00 0.77 0.00 0.00 66.41 67.50 1cye h THR 16 Cb 0.51 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 1cye h THR 16 CO -0.69 0.01 0.29 -0.03 0.37 0.00 0.00 175.52 175.47 1cye h MET 17 N 0.03 0.55 0.13 6.66 -1.53 -1.48 -0.87 114.93 118.43 1cye h MET 17 Ca 0.01 -0.03 0.01 0.00 -3.44 0.00 0.00 59.70 56.24 1cye h MET 17 Cb 0.00 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 30.91 1cye h MET 17 CO -0.00 0.36 -0.16 0.00 0.14 0.00 0.00 176.91 177.25 1cye h ARG 18 N 0.56 -0.32 -0.71 0.39 3.08 -0.55 -2.80 114.38 114.03 1cye h ARG 18 Ca 0.23 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.36 1cye h ARG 18 Cb 0.11 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.17 1cye h ARG 18 CO -0.14 -0.21 0.41 0.00 -1.07 0.00 0.00 179.97 178.95 1cye h ARG 19 N -0.33 0.73 0.37 0.04 2.47 -0.66 -1.93 114.38 115.07 1cye h ARG 19 Ca 0.01 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 1cye h ARG 19 Cb 0.33 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 1cye h ARG 19 CO -0.06 0.48 -0.44 0.82 0.56 0.00 0.00 179.97 181.32 1cye h ILE 20 N 0.75 0.00 -0.55 2.04 1.08 -0.93 -1.12 117.51 118.77 1cye h ILE 20 Ca 0.32 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.83 1cye h ILE 20 Cb 0.19 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 33.89 1cye h ILE 20 CO -0.18 0.00 0.30 0.58 -0.69 0.00 0.00 178.15 178.16 1cye h VAL 21 N -0.83 0.98 -0.02 1.67 2.07 -1.31 -1.04 116.25 117.77 1cye h VAL 21 Ca -0.05 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.31 1cye h VAL 21 Cb 0.74 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1cye h VAL 21 CO -0.09 0.11 -0.23 -0.09 0.02 0.00 0.00 177.57 177.29 1cye h ARG 22 N 0.58 -0.34 -0.61 1.57 2.43 -1.13 -1.56 114.38 115.32 1cye h ARG 22 Ca 0.24 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1cye h ARG 22 Cb 0.12 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1cye h ARG 22 CO -0.15 -0.23 0.19 -0.91 -1.51 0.00 0.00 179.97 177.36 1cye h ASN 23 N -0.35 0.87 -0.04 -3.80 2.35 -0.73 -2.74 115.58 111.14 1cye h ASN 23 Ca 0.07 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.69 1cye h ASN 23 Cb 0.44 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 1cye h ASN 23 CO -0.22 0.82 -0.10 -0.07 -1.65 0.00 0.00 177.43 176.21 1cye h LEU 24 N 0.90 -0.30 -0.53 1.61 3.38 -0.61 -1.38 115.31 118.39 1cye h LEU 24 Ca 0.20 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.31 1cye h LEU 24 Cb 0.27 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 1cye h LEU 24 CO -0.01 -0.14 0.13 -0.07 0.09 0.00 0.00 178.44 178.44 1cye h LEU 25 N -0.15 0.04 -0.37 1.67 3.38 -1.06 -0.61 115.31 118.21 1cye h LEU 25 Ca 0.05 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1cye h LEU 25 Cb 0.22 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1cye h LEU 25 CO -0.13 0.05 0.13 0.11 0.09 0.00 0.00 178.44 178.69 1cye h LYS 26 N 0.27 0.28 -0.90 1.13 1.57 -1.18 0.52 116.57 118.26 1cye h LYS 26 Ca 0.27 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.05 1cye h LYS 26 Cb 0.36 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 1cye h LYS 26 CO -0.33 0.19 0.59 0.93 -0.57 0.00 0.00 179.45 180.26 1cye h GLU 27 N 0.29 1.16 0.00 3.15 5.08 -0.39 -0.98 114.58 122.89 1cye h GLU 27 Ca 0.17 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1cye h GLU 27 Cb 0.14 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1cye h GLU 27 CO -0.17 0.77 0.00 -0.07 -1.00 0.00 0.00 179.01 178.54 1cye h LEU 28 N 1.19 0.00 0.00 1.33 3.38 -0.36 -3.46 115.31 117.38 1cye h LEU 28 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1cye h LEU 28 Cb -0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1cye h LEU 28 CO -0.08 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.06 1cye n GLY 29 N 0.21 1.21 3.41 0.83 0.00 -0.37 -5.07 105.19 105.40 1cye n GLY 29 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 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 2.94 0.22 1.61 0.08 0.10 -4.59 117.98 116.34 1cye s PHE 30 Ca 0.00 -0.94 -0.08 0.00 0.12 0.00 0.00 56.93 56.03 1cye s PHE 30 Cb 0.00 -4.13 0.26 0.00 -0.57 0.00 0.00 43.02 38.58 1cye s PHE 30 CO 0.00 -1.42 1.85 -0.91 -0.10 0.00 0.00 175.22 174.63 1cye h ASN 31 N 9.20 0.76 -3.62 1.36 -0.26 -1.51 -3.22 115.58 118.29 1cye h ASN 31 Ca -0.21 0.01 -0.69 0.00 -0.56 0.00 0.00 56.30 54.84 1cye h ASN 31 Cb 1.07 -0.15 -0.31 0.00 -1.06 0.00 0.00 38.32 37.87 1cye h ASN 31 CO 1.11 0.50 -0.60 0.20 -1.06 0.00 0.00 177.43 177.59 1cye s ASN 32 N -5.75 5.22 -0.06 5.81 -0.87 -1.18 -5.01 114.94 113.11 1cye s ASN 32 Ca -0.13 -1.46 0.01 0.00 -1.57 0.00 0.00 52.86 49.71 1cye s ASN 32 Cb 0.17 -1.83 0.02 0.00 -0.02 0.00 0.00 41.25 39.59 1cye s ASN 32 CO 0.78 -0.39 -0.05 -0.69 -2.57 0.00 0.00 177.10 174.18 1cye s VAL 33 N 1.30 0.61 0.23 1.60 1.01 -1.26 -0.18 120.40 123.71 1cye s VAL 33 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 61.94 1cye s VAL 33 Cb -0.21 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1cye s VAL 33 CO -0.00 0.26 0.03 -0.70 0.00 0.00 0.00 175.10 174.69 1cye s GLU 34 N 1.19 2.46 -0.11 2.72 2.12 0.65 -4.98 118.70 122.74 1cye s GLU 34 Ca -0.06 -1.23 -0.01 0.00 0.36 0.00 0.00 54.97 54.03 1cye s GLU 34 Cb -0.14 -2.31 0.03 0.00 0.26 0.00 0.00 34.13 31.97 1cye s GLU 34 CO -0.02 0.41 -0.07 -1.83 -0.54 0.00 0.00 175.26 173.21 1cye s GLU 35 N -3.43 1.42 0.10 4.30 -1.05 -1.26 -0.13 118.70 118.65 1cye s GLU 35 Ca 0.30 -0.24 0.08 0.00 -0.15 0.00 0.00 54.97 54.96 1cye s GLU 35 Cb -0.08 -1.57 -0.04 0.00 -0.44 0.00 0.00 34.13 32.01 1cye s GLU 35 CO 0.20 -0.29 -0.14 0.00 0.95 0.00 0.00 175.26 175.98 1cye s ALA 36 N 1.73 2.80 -0.06 -0.84 0.00 -0.02 -4.96 121.76 120.42 1cye s ALA 36 Ca 0.05 -1.28 -0.07 0.00 0.00 0.00 0.00 51.96 50.66 1cye s ALA 36 Cb -0.13 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 1cye s ALA 36 CO -0.08 0.61 0.30 1.49 0.00 0.00 0.00 175.76 178.08 1cye h GLU 37 N 3.77 -0.24 0.00 0.00 4.22 -1.88 -2.78 114.58 117.67 1cye h GLU 37 Ca -0.49 0.02 -0.46 0.00 0.08 0.00 0.00 59.36 58.51 1cye h GLU 37 Cb 1.17 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.36 1cye h GLU 37 CO 0.49 -0.16 -0.40 -0.40 -2.18 0.00 0.00 179.01 176.36 1cye n ASP 38 N -4.71 0.61 -0.28 1.04 5.75 -1.26 -1.72 116.55 115.99 1cye n ASP 38 Ca -0.03 -2.87 -0.06 0.00 -0.01 0.00 0.00 54.79 51.82 1cye n ASP 38 Cb 0.10 1.06 -0.01 0.00 -1.03 0.00 0.00 41.12 41.24 1cye n ASP 38 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1cye h GLY 39 N 1.51 -0.27 0.72 6.12 0.00 -1.48 -0.15 103.07 109.53 1cye h GLY 39 Ca -0.25 0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 1cye h GLY 39 CO 0.39 -0.16 -0.35 -2.08 0.00 0.00 0.00 176.54 174.34 1cye h VAL 40 N -0.12 0.28 -0.91 4.60 2.07 -1.89 -0.47 116.25 119.81 1cye h VAL 40 Ca 0.24 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.83 1cye h VAL 40 Cb 0.56 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 1cye h VAL 40 CO -0.81 0.00 0.59 -0.78 0.02 0.00 0.00 177.57 176.59 1cye h ASP 41 N -0.78 0.90 0.02 0.57 3.58 -1.77 -2.81 116.42 116.12 1cye h ASP 41 Ca -0.04 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 1cye h ASP 41 Cb 0.68 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1cye h ASP 41 CO -0.01 0.57 -0.01 0.00 -2.88 0.00 0.00 179.24 176.91 1cye h ALA 42 N 1.51 -0.03 -0.96 -0.78 0.00 -0.48 -1.41 119.26 117.12 1cye h ALA 42 Ca 0.39 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.35 1cye h ALA 42 Cb 0.22 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 1cye h ALA 42 CO -0.15 -0.43 0.58 -0.07 0.00 0.00 0.00 179.25 179.18 1cye h LEU 43 N -0.20 0.82 0.33 0.00 3.38 -0.85 0.22 115.31 119.01 1cye h LEU 43 Ca -0.00 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1cye h LEU 43 Cb 0.19 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1cye h LEU 43 CO 0.00 0.41 -0.16 0.78 0.09 0.00 0.00 178.44 179.56 1cye h ASN 44 N 0.88 -0.37 -0.30 -0.43 2.35 -1.37 -3.24 115.58 113.10 1cye h ASN 44 Ca 0.49 -0.17 0.06 0.00 -0.55 0.00 0.00 56.30 56.14 1cye h ASN 44 Cb 0.56 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 1cye h ASN 44 CO -0.29 0.01 0.21 0.11 -1.65 0.00 0.00 177.43 175.81 1cye h LYS 45 N -0.82 0.11 -0.90 0.81 1.57 -0.33 -2.53 116.57 114.47 1cye h LYS 45 Ca -0.05 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.83 1cye h LYS 45 Cb 0.52 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.74 1cye h LYS 45 CO 0.07 0.07 0.58 -0.07 -0.57 0.00 0.00 179.45 179.54 1cye h LEU 46 N 0.11 0.80 0.00 2.94 3.38 -0.64 -1.01 115.31 120.89 1cye h LEU 46 Ca 0.13 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1cye h LEU 46 Cb 0.40 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1cye h LEU 46 CO -0.02 0.46 0.00 0.00 0.09 0.00 0.00 178.44 178.98 1cye n GLN 47 N -4.54 0.04 -0.19 1.13 3.00 -0.95 -4.08 117.38 111.79 1cye n GLN 47 Ca 0.16 0.20 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 1cye n GLN 47 Cb 0.33 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.07 1cye n GLN 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1cye n ALA 48 N -1.46 2.85 -0.21 -1.58 0.00 -0.39 -4.77 120.51 114.95 1cye n ALA 48 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1cye n ALA 48 Cb 0.19 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1cye n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cye n GLY 49 N 1.09 -0.20 3.01 0.00 0.00 -1.26 -4.95 105.19 102.88 1cye n GLY 49 Ca 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 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 2.12 -0.06 3.56 -0.02 0.00 -1.26 -4.90 105.19 104.63 1cye n GLY 50 Ca 0.00 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.11 2.21 -0.18 1.61 2.02 -1.26 -4.35 117.35 114.30 1cye s TYR 51 Ca 0.07 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.57 1cye s TYR 51 Cb -0.04 -4.37 0.26 0.00 -0.40 0.00 0.00 41.96 37.41 1cye s TYR 51 CO 0.35 -1.76 1.35 0.41 -1.57 0.00 0.00 175.55 174.33 1cye n GLY 52 N 6.56 2.94 3.65 0.71 0.00 -0.92 -4.74 105.19 113.39 1cye n GLY 52 Ca 0.39 -0.41 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.26 -0.24 -0.13 1.61 2.19 -1.18 -4.48 117.98 114.48 1cye s PHE 53 Ca 0.22 0.50 -0.00 0.00 0.33 0.00 0.00 56.93 57.98 1cye s PHE 53 Cb 0.18 0.21 0.02 0.00 -1.31 0.00 0.00 43.02 42.12 1cye s PHE 53 CO 0.04 -0.12 -0.11 0.08 1.83 0.00 0.00 175.22 176.94 1cye s VAL 54 N 0.96 1.30 -0.37 3.12 1.01 0.43 -1.06 120.40 125.79 1cye s VAL 54 Ca -0.06 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 1cye s VAL 54 Cb -0.03 -1.27 0.07 0.00 0.00 0.00 0.00 36.38 35.15 1cye s VAL 54 CO -0.12 0.41 0.16 -0.63 0.00 0.00 0.00 175.10 174.92 1cye s ILE 55 N 1.60 3.65 -0.06 2.22 1.01 -0.08 -0.65 121.20 128.89 1cye s ILE 55 Ca 0.05 -1.49 0.04 0.00 0.00 0.00 0.00 60.65 59.25 1cye s ILE 55 Cb -0.13 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1cye s ILE 55 CO -0.09 -0.40 -0.18 -0.55 0.00 0.00 0.00 174.94 173.72 1cye s SER 56 N 1.71 2.33 0.13 3.58 0.15 0.37 0.21 113.70 122.17 1cye s SER 56 Ca 0.02 -0.39 -0.30 0.00 0.70 0.00 0.00 55.95 55.97 1cye s SER 56 Cb -0.21 -0.85 -0.07 0.00 -1.71 0.00 0.00 66.02 63.17 1cye s SER 56 CO 0.00 0.13 1.19 -0.62 1.20 0.00 0.00 173.24 175.14 1cye s ASP 57 N 0.25 7.10 0.15 5.45 -1.08 -0.45 -0.16 116.67 127.94 1cye s ASP 57 Ca -0.10 2.13 -0.18 0.00 -0.52 0.00 0.00 52.55 53.88 1cye s ASP 57 Cb -0.14 -2.59 0.04 0.00 -1.46 0.00 0.00 42.92 38.76 1cye s ASP 57 CO 0.04 -0.39 1.71 -0.25 0.52 0.00 0.00 175.17 176.79 1cye h TRP 58 N 5.87 -0.04 -2.38 -5.34 2.91 -1.11 -2.75 115.95 113.12 1cye h TRP 58 Ca -0.43 0.02 -0.74 0.00 1.13 0.00 0.00 58.89 58.87 1cye h TRP 58 Cb 1.21 0.06 -0.19 0.00 -0.51 0.00 0.00 29.16 29.74 1cye h TRP 58 CO 0.64 -0.06 1.15 0.54 -1.03 0.00 0.00 178.44 179.68 1cye s ASN 59 N -5.24 7.01 -0.05 2.65 4.22 -1.26 -0.73 114.94 121.54 1cye s ASN 59 Ca -0.13 -2.88 0.05 0.00 -2.14 0.00 0.00 52.86 47.75 1cye s ASN 59 Cb 0.12 -2.38 -0.02 0.00 1.28 0.00 0.00 41.25 40.25 1cye s ASN 59 CO 0.70 -0.75 -0.19 -0.04 -2.04 0.00 0.00 177.10 174.77 1cye s MET 60 N 1.46 2.51 0.35 3.55 -1.94 -1.26 -4.78 119.30 119.19 1cye s MET 60 Ca 0.39 -0.80 -0.28 0.00 -1.71 0.00 0.00 55.69 53.30 1cye s MET 60 Cb -0.04 -2.28 -0.12 0.00 2.01 0.00 0.00 34.83 34.41 1cye s MET 60 CO -0.03 0.52 1.40 -2.30 -0.01 0.00 0.00 175.02 174.60 1cye n PRO 61 N 2.60 2.41 0.00 2.03 -0.02 -1.26 -3.11 135.00 137.64 1cye n PRO 61 Ca -0.17 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1cye n PRO 61 Cb 0.52 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1cye n PRO 61 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1cye n ASN 62 N 0.76 0.00 -4.16 2.55 2.85 -1.26 -4.51 115.26 111.50 1cye n ASN 62 Ca 0.04 0.00 -0.38 0.00 -0.11 0.00 0.00 54.58 54.12 1cye n ASN 62 Cb 0.37 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.29 1cye n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1cye s MET 63 N 0.00 2.29 1.07 1.20 1.75 -1.26 -5.04 119.30 119.31 1cye s MET 63 Ca 0.00 -1.89 -0.12 0.00 -1.25 0.00 0.00 55.69 52.42 1cye s MET 63 Cb 0.00 -3.76 0.23 0.00 2.84 0.00 0.00 34.83 34.14 1cye s MET 63 CO 0.00 -1.14 1.06 0.16 -0.65 0.00 0.00 175.02 174.45 1cye s ASP 64 N 2.05 1.89 0.17 1.11 1.47 -1.18 -1.42 116.67 120.76 1cye s ASP 64 Ca 0.08 1.47 -0.20 0.00 1.18 0.00 0.00 52.55 55.09 1cye s ASP 64 Cb -0.24 -2.18 0.09 0.00 -0.34 0.00 0.00 42.92 40.26 1cye s ASP 64 CO -0.03 -3.63 1.62 1.23 0.68 0.00 0.00 175.17 175.04 1cye h GLY 65 N -2.23 -0.02 0.91 2.12 0.00 -0.61 -0.37 103.07 102.87 1cye h GLY 65 Ca -0.57 0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.11 1cye h GLY 65 CO 0.52 -0.21 0.63 -2.00 0.00 0.00 0.00 176.54 175.49 1cye h LEU 66 N -0.17 1.07 -0.38 3.11 5.85 -1.85 -0.67 115.31 122.27 1cye h LEU 66 Ca 0.19 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1cye h LEU 66 Cb 0.48 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1cye h LEU 66 CO -0.51 0.74 -0.04 -0.33 -0.34 0.00 0.00 178.44 177.95 1cye h GLU 67 N 1.24 0.70 -0.40 1.25 5.08 -1.57 -2.59 114.58 118.29 1cye h GLU 67 Ca 0.38 -0.25 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1cye h GLU 67 Cb -0.04 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 1cye h GLU 67 CO -0.11 0.82 0.13 1.25 -1.00 0.00 0.00 179.01 180.10 1cye h LEU 68 N 0.51 0.12 -0.27 1.33 7.12 -0.39 0.29 115.31 124.01 1cye h LEU 68 Ca 0.10 0.05 0.06 0.00 0.13 0.00 0.00 57.88 58.22 1cye h LEU 68 Cb 0.54 0.04 -0.08 0.00 -0.53 0.00 0.00 40.66 40.63 1cye h LEU 68 CO 0.03 0.10 -0.37 0.25 -0.13 0.00 0.00 178.44 178.32 1cye h LEU 69 N 0.28 -1.18 -0.52 2.25 6.46 -1.05 -1.93 115.31 119.63 1cye h LEU 69 Ca 0.19 0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 58.12 1cye h LEU 69 Cb 0.18 0.52 -0.03 0.00 -0.73 0.00 0.00 40.66 40.60 1cye h LEU 69 CO -0.20 -0.36 0.31 0.50 -0.62 0.00 0.00 178.44 178.06 1cye h LYS 70 N -0.36 0.71 -0.01 1.25 3.64 -0.97 -0.70 116.57 120.13 1cye h LYS 70 Ca 0.12 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1cye h LYS 70 Cb 0.57 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1cye h LYS 70 CO -0.47 0.52 0.04 1.79 -2.27 0.00 0.00 179.45 179.07 1cye h THR 71 N 0.70 0.17 0.00 1.00 1.35 -0.22 0.58 112.91 116.49 1cye h THR 71 Ca 0.19 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 66.01 1cye h THR 71 Cb -0.00 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 67.37 1cye h THR 71 CO -0.03 0.00 -0.62 0.40 -0.25 0.00 0.00 175.52 175.01 1cye h ILE 72 N 0.00 0.14 -0.80 6.82 2.04 -0.72 -3.32 117.51 121.67 1cye h ILE 72 Ca 0.01 -1.19 0.19 0.00 1.00 0.00 0.00 64.86 64.87 1cye h ILE 72 Cb 0.09 0.35 -0.12 0.00 -0.74 0.00 0.00 36.82 36.40 1cye h ILE 72 CO -0.00 0.05 0.21 0.03 0.00 0.00 0.00 178.15 178.43 1cye h ARG 73 N -1.00 0.25 0.00 2.37 -0.00 -0.85 0.21 114.38 115.36 1cye h ARG 73 Ca -0.06 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.41 1cye h ARG 73 Cb 0.63 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 30.54 1cye h ARG 73 CO -0.03 0.16 -0.39 0.00 0.00 0.00 0.00 179.97 179.71 1cye n ALA 74 N -2.68 3.04 -2.71 0.04 0.00 0.17 -4.57 120.51 113.79 1cye n ALA 74 Ca 0.17 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1cye n ALA 74 Cb 0.55 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 1cye n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1cye s ASP 75 N -3.40 6.42 0.00 0.00 -1.08 0.05 -4.94 116.67 113.72 1cye s ASP 75 Ca 0.10 -1.37 0.00 0.00 -0.52 0.00 0.00 52.55 50.76 1cye s ASP 75 Cb 0.16 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 39.13 1cye s ASP 75 CO 0.66 -1.43 0.00 0.61 0.52 0.00 0.00 175.17 175.53 1cye n GLY 76 N 5.98 0.00 0.06 2.66 0.00 -1.26 -0.20 105.19 112.43 1cye n GLY 76 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 0.06 0.00 4.61 0.00 -1.93 -3.24 119.26 118.76 1cye h ALA 77 Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1cye h ALA 77 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1cye h ALA 77 CO 0.00 -0.37 -0.53 0.52 0.00 0.00 0.00 179.25 178.87 1cye h MET 78 N -0.06 0.00 0.00 0.00 2.86 -1.11 -3.43 114.93 113.20 1cye h MET 78 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1cye h MET 78 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1cye h MET 78 CO -0.00 0.53 0.00 0.43 1.06 0.00 0.00 176.91 178.93 1cye n SER 79 N -3.43 0.00 -1.11 1.22 7.64 0.71 -2.61 113.62 116.04 1cye n SER 79 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.86 1cye n SER 79 Cb 0.65 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.88 1cye n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cye n ALA 80 N -2.05 2.88 -2.66 -0.43 0.00 -1.26 -3.89 120.51 113.09 1cye n ALA 80 Ca 0.00 -0.36 -0.43 0.00 0.00 0.00 0.00 53.44 52.65 1cye n ALA 80 Cb 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.42 4.44 0.14 0.00 1.43 -1.07 -5.00 118.68 118.20 1cye s LEU 81 Ca 0.07 -0.49 -0.34 0.00 -1.03 0.00 0.00 54.13 52.34 1cye s LEU 81 Cb 0.06 -2.72 -0.16 0.00 0.03 0.00 0.00 46.19 43.40 1cye s LEU 81 CO 0.01 -1.02 1.19 -0.81 0.23 0.00 0.00 176.35 175.95 1cye n PRO 82 N 6.81 1.05 -4.91 1.29 -0.04 -1.26 -4.69 135.00 133.24 1cye n PRO 82 Ca -0.01 0.38 -0.32 0.00 -0.04 0.00 0.00 63.50 63.50 1cye n PRO 82 Cb 0.47 -1.90 -0.16 0.00 -0.04 0.00 0.00 33.50 31.87 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 -0.01 2.36 -0.30 0.52 1.01 -1.26 -0.43 120.40 122.30 1cye s VAL 83 Ca 0.77 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 1cye s VAL 83 Cb -0.91 -1.95 0.06 0.00 0.00 0.00 0.00 36.38 33.58 1cye s VAL 83 CO 0.51 0.54 -0.02 -0.22 0.00 0.00 0.00 175.10 175.92 1cye s LEU 84 N 0.51 3.91 -0.36 3.92 2.96 0.18 -0.96 118.68 128.83 1cye s LEU 84 Ca -0.13 -1.41 -0.26 0.00 -0.22 0.00 0.00 54.13 52.10 1cye s LEU 84 Cb -0.17 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.87 1cye s LEU 84 CO 0.05 -0.27 0.96 -0.04 -1.32 0.00 0.00 176.35 175.73 1cye s MET 85 N 1.18 3.88 -0.63 1.98 -1.94 -0.28 -0.48 119.30 123.01 1cye s MET 85 Ca -0.04 0.66 -0.19 0.00 -1.71 0.00 0.00 55.69 54.41 1cye s MET 85 Cb -0.20 -3.79 0.11 0.00 2.01 0.00 0.00 34.83 32.96 1cye s MET 85 CO -0.03 -0.96 0.74 0.08 -0.01 0.00 0.00 175.02 174.84 1cye s VAL 86 N 3.54 4.87 -0.01 -6.03 1.01 0.78 -0.28 120.40 124.28 1cye s VAL 86 Ca 0.40 -1.14 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1cye s VAL 86 Cb -0.12 -4.51 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 1cye s VAL 86 CO 0.19 -1.15 0.02 0.28 0.00 0.00 0.00 175.10 174.44 1cye s THR 87 N 2.51 4.31 0.30 3.92 -1.32 -0.46 -0.44 115.64 124.45 1cye s THR 87 Ca 0.13 -0.53 0.05 0.00 -1.21 0.00 0.00 61.69 60.14 1cye s THR 87 Cb -0.22 -2.93 0.29 0.00 -1.51 0.00 0.00 72.50 68.13 1cye s THR 87 CO 0.04 0.39 1.74 0.00 -2.21 0.00 0.00 174.62 174.57 1cye h ALA 88 N 4.33 1.58 -1.90 11.08 0.00 -1.87 -1.12 119.26 131.35 1cye h ALA 88 Ca -0.49 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1cye h ALA 88 Cb 1.18 0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.78 1cye h ALA 88 CO 0.58 -0.21 0.23 -1.21 0.00 0.00 0.00 179.25 178.64 1cye s GLU 89 N -5.86 0.84 -1.08 0.00 2.02 -1.26 -4.38 118.70 108.99 1cye s GLU 89 Ca -0.11 0.62 -0.22 0.00 0.02 0.00 0.00 54.97 55.28 1cye s GLU 89 Cb 0.25 0.41 0.02 0.00 0.10 0.00 0.00 34.13 34.91 1cye s GLU 89 CO 0.79 -0.18 1.65 0.00 0.02 0.00 0.00 175.26 177.54 1cye s ALA 90 N -0.29 2.58 -0.17 5.21 0.00 -1.26 -4.91 121.76 122.91 1cye s ALA 90 Ca -0.03 -2.26 0.01 0.00 0.00 0.00 0.00 51.96 49.67 1cye s ALA 90 Cb -0.03 -4.57 0.01 0.00 0.00 0.00 0.00 23.12 18.53 1cye s ALA 90 CO 0.03 -3.91 -0.19 0.15 0.00 0.00 0.00 175.76 171.85 1cye s LYS 91 N 5.31 3.07 0.01 0.00 1.02 -1.26 -5.04 119.74 122.85 1cye s LYS 91 Ca 0.54 -0.81 -0.02 0.00 0.02 0.00 0.00 55.97 55.70 1cye s LYS 91 Cb -0.00 -2.57 -0.00 0.00 -0.52 0.00 0.00 37.83 34.73 1cye s LYS 91 CO -0.02 -0.11 0.11 0.36 -0.92 0.00 0.00 175.35 174.77 1cye n LYS 92 N 4.37 -0.03 -0.19 1.68 2.85 -1.26 -0.75 118.16 124.83 1cye n LYS 92 Ca -0.20 0.11 -0.01 0.00 -1.05 0.00 0.00 58.31 57.16 1cye n LYS 92 Cb 0.51 -0.16 0.09 0.00 -0.65 0.00 0.00 35.03 34.82 1cye n LYS 92 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 1cye h GLU 93 N 0.00 0.37 -0.26 -1.58 -0.00 -1.99 0.73 114.58 111.85 1cye h GLU 93 Ca 0.01 -0.02 -0.17 0.00 -0.00 0.00 0.00 59.36 59.18 1cye h GLU 93 Cb 0.03 -0.08 -0.00 0.00 -0.00 0.00 0.00 28.75 28.69 1cye h GLU 93 CO -0.07 0.24 -0.52 -2.95 -0.00 0.00 0.00 179.01 175.72 1cye h ASN 94 N 0.38 0.83 0.32 3.06 7.08 -1.31 -1.55 115.58 124.39 1cye h ASN 94 Ca 0.28 -0.43 -0.01 0.00 -3.08 0.00 0.00 56.30 53.06 1cye h ASN 94 Cb 0.33 -0.24 -0.00 0.00 -2.08 0.00 0.00 38.32 36.33 1cye h ASN 94 CO -0.29 1.19 -0.19 0.40 -2.08 0.00 0.00 177.43 176.46 1cye h ILE 95 N 0.58 0.59 0.05 6.14 2.04 -0.97 -0.20 117.51 125.75 1cye h ILE 95 Ca 0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.91 1cye h ILE 95 Cb 1.10 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 1cye h ILE 95 CO 0.11 0.00 -0.30 0.40 0.00 0.00 0.00 178.15 178.36 1cye h ILE 96 N -0.49 0.35 -0.31 -0.67 2.04 -0.77 -0.40 117.51 117.26 1cye h ILE 96 Ca -0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1cye h ILE 96 Cb 0.41 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 1cye h ILE 96 CO 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 178.15 178.08 1cye h ALA 97 N 0.25 0.16 0.51 1.87 0.00 -1.06 -0.03 119.26 120.97 1cye h ALA 97 Ca 0.05 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1cye h ALA 97 Cb 0.54 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1cye h ALA 97 CO -0.22 -0.49 -0.25 0.00 0.00 0.00 0.00 179.25 178.29 1cye h ALA 98 N 1.24 -0.69 0.01 0.00 0.00 -0.71 -1.20 119.26 117.91 1cye h ALA 98 Ca 0.15 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1cye h ALA 98 Cb 0.28 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1cye h ALA 98 CO -0.34 -0.86 -0.10 0.00 0.00 0.00 0.00 179.25 177.95 1cye h ALA 99 N -0.29 -0.12 -0.03 0.00 0.00 -0.80 -1.55 119.26 116.47 1cye h ALA 99 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1cye h ALA 99 Cb 0.56 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1cye h ALA 99 CO 0.12 -0.60 -0.20 1.96 0.00 0.00 0.00 179.25 180.52 1cye h GLN 100 N -0.18 0.04 0.00 0.00 7.50 -0.98 -2.18 115.11 119.31 1cye h GLN 100 Ca 0.04 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.18 1cye h GLN 100 Cb 0.22 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.75 1cye h GLN 100 CO -0.10 0.25 0.00 0.00 -1.50 0.00 0.00 178.83 177.48 1cye n ALA 101 N -2.50 2.04 0.00 3.87 0.00 -0.46 -4.91 120.51 118.56 1cye n ALA 101 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1cye n ALA 101 Cb 0.28 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 0.81 0.88 3.68 0.00 0.00 -0.82 -4.62 105.19 105.13 1cye n GLY 102 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 2.03 0.19 4.61 0.00 -0.61 -4.79 120.51 121.94 1cye n ALA 103 Ca 0.00 0.29 0.04 0.00 0.00 0.00 0.00 53.44 53.77 1cye n ALA 103 Cb 0.00 -2.61 0.45 0.00 0.00 0.00 0.00 19.45 17.28 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 9.02 0.06 -5.79 0.00 0.02 -1.38 -3.42 113.55 112.06 1cye h SER 104 Ca -0.47 -0.01 0.33 0.00 -0.84 0.00 0.00 61.79 60.79 1cye h SER 104 Cb 1.23 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 63.65 1cye h SER 104 CO 0.95 0.27 0.84 -0.83 -1.14 0.00 0.00 176.83 176.92 1cye s GLY 105 N -4.18 -0.32 -0.06 -3.77 0.00 -0.93 -4.74 107.32 93.32 1cye s GLY 105 Ca -0.04 0.49 -0.05 0.00 0.00 0.00 0.00 44.72 45.12 1cye s GLY 105 CO 0.71 1.66 0.15 -2.52 0.00 0.00 0.00 173.10 173.10 1cye s TYR 106 N -2.30 -0.16 -0.08 1.90 1.13 -1.26 -1.12 117.35 115.45 1cye s TYR 106 Ca 0.18 0.40 0.03 0.00 -1.41 0.00 0.00 57.07 56.27 1cye s TYR 106 Cb 0.03 0.06 0.01 0.00 -1.10 0.00 0.00 41.96 40.96 1cye s TYR 106 CO -0.03 -0.08 -0.18 0.54 -2.51 0.00 0.00 175.55 173.29 1cye s VAL 107 N 0.08 1.59 -0.06 -3.49 0.11 0.62 -4.91 120.40 114.34 1cye s VAL 107 Ca -0.00 -0.74 -0.29 0.00 -2.93 0.00 0.00 61.98 58.01 1cye s VAL 107 Cb -0.01 -1.41 -0.02 0.00 -1.53 0.00 0.00 36.38 33.41 1cye s VAL 107 CO 0.00 0.46 0.98 -0.69 -3.33 0.00 0.00 175.10 172.52 1cye s VAL 108 N 0.53 4.83 -0.10 2.04 1.01 -1.26 -1.36 120.40 126.10 1cye s VAL 108 Ca -0.16 2.02 -0.17 0.00 0.00 0.00 0.00 61.98 63.67 1cye s VAL 108 Cb -0.17 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 1cye s VAL 108 CO 0.06 0.08 0.43 -1.59 0.00 0.00 0.00 175.10 174.08 1cye s LYS 109 N 1.55 4.23 0.34 2.72 -2.85 -0.42 -3.05 119.74 122.25 1cye s LYS 109 Ca 0.49 0.38 -0.27 0.00 -1.00 0.00 0.00 55.97 55.57 1cye s LYS 109 Cb -0.19 -3.38 -0.09 0.00 -2.06 0.00 0.00 37.83 32.10 1cye s LYS 109 CO 0.22 0.30 1.09 -2.14 0.10 0.00 0.00 175.35 174.92 1cye s PRO 110 N 0.19 4.38 0.09 1.78 0.02 -1.26 -4.65 135.00 135.55 1cye s PRO 110 Ca 0.24 1.69 0.03 0.00 0.02 0.00 0.00 61.00 62.98 1cye s PRO 110 Cb -0.15 -2.87 -0.03 0.00 0.02 0.00 0.00 34.50 31.46 1cye s PRO 110 CO 0.10 0.01 -0.09 -0.59 -0.33 0.00 0.00 177.00 176.10 1cye s PHE 111 N -1.39 0.96 0.46 6.54 -0.71 -1.17 -5.16 117.98 117.50 1cye s PHE 111 Ca 0.51 -0.68 0.07 0.00 -1.04 0.00 0.00 56.93 55.80 1cye s PHE 111 Cb -0.28 -0.54 0.00 0.00 -1.21 0.00 0.00 43.02 41.00 1cye s PHE 111 CO 0.35 -0.05 0.43 0.95 -1.34 0.00 0.00 175.22 175.56 1cye s THR 112 N -2.48 2.43 0.31 -4.49 -4.23 -1.26 -4.94 115.64 100.97 1cye s THR 112 Ca 0.04 -1.33 0.03 0.00 -1.18 0.00 0.00 61.69 59.25 1cye s THR 112 Cb -0.03 -2.76 0.29 0.00 1.34 0.00 0.00 72.50 71.35 1cye s THR 112 CO -0.01 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 175.93 1cye h ALA 113 N 0.89 1.61 -0.20 3.99 0.00 -1.99 0.82 119.26 124.38 1cye h ALA 113 Ca -0.39 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1cye h ALA 113 Cb 1.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1cye h ALA 113 CO 0.55 0.16 -0.00 0.00 0.00 0.00 0.00 179.25 179.97 1cye h ALA 114 N 1.55 0.26 -0.30 0.00 0.00 -1.97 0.63 119.26 119.44 1cye h ALA 114 Ca 0.47 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1cye h ALA 114 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1cye h ALA 114 CO -0.23 -0.01 0.20 1.15 0.00 0.00 0.00 179.25 180.35 1cye h THR 115 N 0.10 1.08 0.04 0.00 2.02 -1.73 -1.20 112.91 113.23 1cye h THR 115 Ca 0.06 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.10 1cye h THR 115 Cb 0.40 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1cye h THR 115 CO 0.01 0.08 -0.13 0.25 0.37 0.00 0.00 175.52 176.10 1cye h LEU 116 N 0.40 -0.38 -0.43 2.58 5.85 -0.66 -2.54 115.31 120.14 1cye h LEU 116 Ca 0.11 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.95 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 -0.02 -0.19 0.05 -0.08 -0.34 0.00 0.00 178.44 177.86 1cye h GLU 117 N -0.25 0.17 -0.53 1.25 4.57 -0.54 -1.44 114.58 117.80 1cye h GLU 117 Ca 0.03 -0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.30 1cye h GLU 117 Cb 0.28 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.76 1cye h GLU 117 CO -0.10 0.11 0.09 0.93 -1.18 0.00 0.00 179.01 178.86 1cye h GLU 118 N 0.17 0.22 -0.25 1.92 4.39 -0.81 0.13 114.58 120.35 1cye h GLU 118 Ca 0.21 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 1cye h GLU 118 Cb 0.28 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1cye h GLU 118 CO -0.30 0.14 0.06 0.87 -1.16 0.00 0.00 179.01 178.62 1cye h LYS 119 N 0.22 0.40 -0.33 2.33 6.56 -1.11 -2.45 116.57 122.19 1cye h LYS 119 Ca 0.27 -0.10 0.04 0.00 -1.06 0.00 0.00 60.65 59.81 1cye h LYS 119 Cb 0.39 -0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 31.96 1cye h LYS 119 CO -0.37 0.50 0.11 -0.07 -2.06 0.00 0.00 179.45 177.56 1cye h LEU 120 N 0.23 0.10 -0.07 2.94 3.38 -0.44 -2.44 115.31 119.02 1cye h LEU 120 Ca 0.08 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1cye h LEU 120 Cb 0.28 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1cye h LEU 120 CO 0.00 0.09 -0.23 0.78 0.09 0.00 0.00 178.44 179.17 1cye h ASN 121 N 0.24 -0.71 -0.64 -0.43 4.21 -0.64 -0.92 115.58 116.70 1cye h ASN 121 Ca 0.15 0.11 0.12 0.00 1.21 0.00 0.00 56.30 57.88 1cye h ASN 121 Cb 0.13 0.30 -0.09 0.00 -1.12 0.00 0.00 38.32 37.55 1cye h ASN 121 CO -0.16 -0.29 0.19 0.50 -1.29 0.00 0.00 177.43 176.37 1cye h LYS 122 N -0.33 0.32 0.16 0.81 3.64 -1.16 0.47 116.57 120.48 1cye h LYS 122 Ca 0.08 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1cye h LYS 122 Cb 0.45 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1cye h LYS 122 CO -0.26 0.21 -0.08 0.82 -2.27 0.00 0.00 179.45 177.88 1cye h ILE 123 N 0.33 0.90 -0.95 2.00 2.04 -0.93 -2.89 117.51 118.01 1cye h ILE 123 Ca 0.34 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 66.00 1cye h ILE 123 Cb 0.49 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 1cye h ILE 123 CO -0.38 0.06 0.62 -0.26 0.00 0.00 0.00 178.15 178.18 1cye h PHE 124 N -0.33 1.13 -0.76 1.37 0.04 -0.45 -2.09 116.94 115.85 1cye h PHE 124 Ca -0.02 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.81 1cye h PHE 124 Cb 0.26 -0.37 -0.05 0.00 2.20 0.00 0.00 35.95 37.99 1cye h PHE 124 CO -0.03 0.61 0.48 0.93 -0.60 0.00 0.00 178.31 179.70 1cye h GLU 125 N 1.13 0.91 -0.86 1.51 5.08 -0.78 0.54 114.58 122.11 1cye h GLU 125 Ca 0.40 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1cye h GLU 125 Cb 0.12 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1cye h GLU 125 CO -0.14 0.60 0.51 0.87 -1.00 0.00 0.00 179.01 179.84 1cye h LYS 126 N 0.94 1.17 -0.13 2.33 1.57 -1.18 -1.87 116.57 119.40 1cye h LYS 126 Ca 0.31 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1cye h LYS 126 Cb 0.02 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.09 1cye h LYS 126 CO -0.11 0.83 0.00 1.28 -0.57 0.00 0.00 179.45 180.87 1cye n LEU 127 N -4.36 0.77 -0.24 2.94 4.77 -0.64 -4.90 117.00 115.34 1cye n LEU 127 Ca 0.09 -0.37 -0.03 0.00 -0.03 0.00 0.00 56.01 55.67 1cye n LEU 127 Cb 0.07 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1cye n LEU 127 CO 0.38 0.19 -0.03 0.61 -1.33 0.00 0.00 177.39 177.21 1cye n GLY 128 N 0.77 0.58 0.89 -0.72 0.00 -0.70 -5.06 105.19 100.95 1cye n GLY 128 Ca 0.07 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.94 1cye n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35