#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 4.60 -3.76 0.55 7.64 -1.26 -4.84 113.62 116.55 1cye n SER 2 Ca 0.00 -2.98 -0.42 0.00 1.01 0.00 0.00 58.87 56.48 1cye n SER 2 Cb 0.00 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.63 1cye n SER 2 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1cye n ASP 3 N 5.17 6.40 0.01 6.43 5.75 -1.26 -4.27 116.55 134.79 1cye n ASP 3 Ca 0.45 -3.24 0.00 0.00 -0.01 0.00 0.00 54.79 51.99 1cye n ASP 3 Cb 0.38 -1.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.10 1cye n ASP 3 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1cye n LYS 4 N 2.37 0.00 -1.57 0.11 4.81 -1.26 -4.90 118.16 117.72 1cye n LYS 4 Ca 0.44 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.48 1cye n LYS 4 Cb 0.31 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.35 1cye n LYS 4 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1cye n GLU 5 N -2.57 3.69 -3.92 1.64 -0.00 -1.26 -3.64 120.64 114.59 1cye n GLU 5 Ca 0.00 -2.57 -0.36 0.00 -0.00 0.00 0.00 57.16 54.23 1cye n GLU 5 Cb 0.00 -2.87 -0.12 0.00 -0.00 0.00 0.00 31.44 28.45 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 0.14 3.46 -0.61 -1.84 0.20 -1.26 -4.97 118.68 113.81 1cye s LEU 6 Ca 0.61 -0.14 -0.27 0.00 0.69 0.00 0.00 54.13 55.01 1cye s LEU 6 Cb 0.17 -1.90 0.01 0.00 -0.43 0.00 0.00 46.19 44.04 1cye s LEU 6 CO -0.07 0.04 1.44 -0.54 -0.29 0.00 0.00 176.35 176.93 1cye s LYS 7 N 1.15 3.19 -0.18 1.98 1.02 -1.26 -3.76 119.74 121.88 1cye s LYS 7 Ca 0.04 0.31 -0.11 0.00 0.02 0.00 0.00 55.97 56.23 1cye s LYS 7 Cb -0.14 -4.17 -0.05 0.00 -0.52 0.00 0.00 37.83 32.95 1cye s LYS 7 CO 0.03 -2.09 0.20 -0.06 -0.92 0.00 0.00 175.35 172.50 1cye s PHE 8 N 6.37 3.44 -0.43 3.18 0.40 0.32 -1.44 117.98 129.82 1cye s PHE 8 Ca 0.50 0.44 -0.07 0.00 -0.60 0.00 0.00 56.93 57.20 1cye s PHE 8 Cb -0.10 -2.22 0.10 0.00 0.51 0.00 0.00 43.02 41.30 1cye s PHE 8 CO 0.22 0.29 0.26 -1.17 0.70 0.00 0.00 175.22 175.52 1cye s LEU 9 N 0.34 5.28 -0.51 -0.37 0.20 -0.01 0.01 118.68 123.61 1cye s LEU 9 Ca 0.12 -1.74 -0.23 0.00 0.69 0.00 0.00 54.13 52.97 1cye s LEU 9 Cb -0.12 -1.94 0.04 0.00 -0.43 0.00 0.00 46.19 43.74 1cye s LEU 9 CO 0.01 -0.57 0.85 -0.69 -0.29 0.00 0.00 176.35 175.65 1cye s VAL 10 N 1.33 4.54 -0.46 1.68 1.01 -0.61 -0.57 120.40 127.32 1cye s VAL 10 Ca 0.05 0.22 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 1cye s VAL 10 Cb -0.24 -4.43 0.10 0.00 0.00 0.00 0.00 36.38 31.81 1cye s VAL 10 CO -0.00 -0.94 0.34 -0.69 0.00 0.00 0.00 175.10 173.81 1cye s VAL 11 N 3.54 4.41 -0.02 2.92 1.01 0.11 -2.08 120.40 130.30 1cye s VAL 11 Ca 0.28 -1.57 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1cye s VAL 11 Cb -0.13 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.46 1cye s VAL 11 CO 0.19 -0.68 0.00 -1.81 0.00 0.00 0.00 175.10 172.80 1cye s ASP 12 N 2.60 0.22 0.57 3.32 1.11 -0.31 -0.73 116.67 123.45 1cye s ASP 12 Ca 0.04 -0.01 0.33 0.00 0.18 0.00 0.00 52.55 53.09 1cye s ASP 12 Cb -0.25 -0.10 1.74 0.00 1.07 0.00 0.00 42.92 45.37 1cye s ASP 12 CO 0.01 -0.07 2.17 -2.24 1.18 0.00 0.00 175.17 176.22 1cye h ASP 13 N 6.85 0.00 -3.38 0.27 2.03 -1.52 -3.36 116.42 117.32 1cye h ASP 13 Ca -0.38 0.00 -0.72 0.00 -0.73 0.00 0.00 57.03 55.21 1cye h ASP 13 Cb 1.15 0.00 -0.29 0.00 -0.83 0.00 0.00 39.33 39.36 1cye h ASP 13 CO 0.49 0.06 -0.44 -0.36 -1.03 0.00 0.00 179.24 177.95 1cye s PHE 14 N -4.20 3.40 0.45 4.15 0.40 -1.26 -4.97 117.98 115.95 1cye s PHE 14 Ca -0.03 -1.79 0.24 0.00 -0.60 0.00 0.00 56.93 54.75 1cye s PHE 14 Cb 0.13 -3.24 1.26 0.00 0.51 0.00 0.00 43.02 41.67 1cye s PHE 14 CO 0.53 -0.93 1.79 0.66 0.70 0.00 0.00 175.22 177.97 1cye h SER 15 N 8.39 0.29 -0.82 1.36 4.64 -1.96 -0.43 113.55 125.02 1cye h SER 15 Ca -0.21 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1cye h SER 15 Cb 1.07 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.13 1cye h SER 15 CO 0.80 0.06 0.51 0.74 -0.87 0.00 0.00 176.83 178.06 1cye h THR 16 N 0.25 1.22 -0.46 2.95 2.02 -1.93 -1.47 112.91 115.50 1cye h THR 16 Ca 0.57 -0.47 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 1cye h THR 16 Cb 1.71 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1cye h THR 16 CO -0.19 0.23 -0.04 -0.03 0.37 0.00 0.00 175.52 175.86 1cye h MET 17 N 1.12 0.83 -0.78 6.66 -1.53 -1.48 -2.86 114.93 116.90 1cye h MET 17 Ca 0.29 -0.29 0.07 0.00 -3.44 0.00 0.00 59.70 56.34 1cye h MET 17 Cb -0.07 -0.06 -0.06 0.00 -0.55 0.00 0.00 31.60 30.86 1cye h MET 17 CO -0.06 0.91 0.45 -0.09 0.14 0.00 0.00 176.91 178.26 1cye h ARG 18 N 0.68 0.79 -0.31 0.39 1.12 -1.01 -1.65 114.38 114.39 1cye h ARG 18 Ca 0.12 -0.05 0.05 0.00 -1.11 0.00 0.00 59.98 58.99 1cye h ARG 18 Cb 0.56 -0.18 -0.04 0.00 -0.01 0.00 0.00 29.97 30.29 1cye h ARG 18 CO 0.03 0.52 0.05 -0.09 -3.11 0.00 0.00 179.97 177.37 1cye h ARG 19 N 0.82 0.15 0.47 0.20 9.65 -1.13 -0.66 114.38 123.89 1cye h ARG 19 Ca 0.35 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.20 1cye h ARG 19 Cb 0.22 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 1cye h ARG 19 CO -0.19 0.10 -0.30 0.82 2.80 0.00 0.00 179.97 183.19 1cye h ILE 20 N 0.15 0.38 -0.69 1.20 1.08 -1.11 -2.80 117.51 115.73 1cye h ILE 20 Ca 0.15 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.73 1cye h ILE 20 Cb 0.17 0.38 -0.08 0.00 -3.07 0.00 0.00 36.82 34.22 1cye h ILE 20 CO -0.21 0.00 0.28 0.58 -0.69 0.00 0.00 178.15 178.12 1cye h VAL 21 N -0.74 0.74 -0.10 1.67 2.07 -0.98 -1.92 116.25 116.99 1cye h VAL 21 Ca -0.05 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1cye h VAL 21 Cb 0.61 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 1cye h VAL 21 CO 0.05 0.08 -0.27 -0.09 0.02 0.00 0.00 177.57 177.36 1cye h ARG 22 N 0.47 -0.34 -0.97 1.57 2.43 -0.99 -0.98 114.38 115.56 1cye h ARG 22 Ca 0.36 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.56 1cye h ARG 22 Cb 0.48 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 1cye h ARG 22 CO -0.34 -0.23 0.63 -0.91 -1.51 0.00 0.00 179.97 177.62 1cye h ASN 23 N -0.36 1.13 0.31 -3.80 2.35 -1.11 -1.18 115.58 112.93 1cye h ASN 23 Ca 0.09 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1cye h ASN 23 Cb 0.49 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1cye h ASN 23 CO -0.31 0.83 -0.15 -0.07 -1.65 0.00 0.00 177.43 176.08 1cye h LEU 24 N 1.33 -0.37 -0.61 1.61 3.38 -0.82 -1.66 115.31 118.16 1cye h LEU 24 Ca 0.36 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.38 1cye h LEU 24 Cb -0.13 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1cye h LEU 24 CO -0.07 -0.26 0.34 -0.07 0.09 0.00 0.00 178.44 178.47 1cye h LEU 25 N -0.43 0.53 -0.42 1.67 3.38 -0.81 -2.34 115.31 116.88 1cye h LEU 25 Ca -0.04 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1cye h LEU 25 Cb 0.33 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1cye h LEU 25 CO 0.07 0.35 0.01 0.50 0.09 0.00 0.00 178.44 179.46 1cye h LYS 26 N 0.66 0.12 -0.92 1.13 3.11 -1.02 -0.00 116.57 119.63 1cye h LYS 26 Ca 0.26 -0.01 0.06 0.00 -2.81 0.00 0.00 60.65 58.16 1cye h LYS 26 Cb 0.12 -0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 31.26 1cye h LYS 26 CO -0.15 0.08 0.60 1.49 -2.81 0.00 0.00 179.45 178.66 1cye h GLU 27 N 0.12 1.03 0.00 1.90 4.22 -0.79 -0.73 114.58 120.33 1cye h GLU 27 Ca 0.21 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.59 1cye h GLU 27 Cb 0.29 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1cye h GLU 27 CO -0.34 0.68 0.00 -0.07 -2.18 0.00 0.00 179.01 177.10 1cye h LEU 28 N 1.06 0.00 0.00 1.64 3.38 -0.85 -3.47 115.31 117.07 1cye h LEU 28 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1cye h LEU 28 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1cye h LEU 28 CO -0.15 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.99 1cye n GLY 29 N 0.63 1.06 3.34 0.83 0.00 -0.28 -5.06 105.19 105.71 1cye n GLY 29 Ca 0.04 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 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 3.58 -0.99 1.61 0.08 -0.12 -4.62 117.98 115.53 1cye s PHE 30 Ca 0.00 -1.77 0.28 0.00 0.12 0.00 0.00 56.93 55.56 1cye s PHE 30 Cb 0.00 -3.88 1.18 0.00 -0.57 0.00 0.00 43.02 39.75 1cye s PHE 30 CO 0.00 -1.07 1.89 0.27 -0.10 0.00 0.00 175.22 176.21 1cye n ASN 31 N 4.58 0.04 -4.20 1.36 0.23 -1.24 -3.13 115.26 112.89 1cye n ASN 31 Ca 0.10 0.50 -0.40 0.00 -0.53 0.00 0.00 54.58 54.25 1cye n ASN 31 Cb 0.46 -0.51 -0.09 0.00 -2.08 0.00 0.00 39.78 37.56 1cye n ASN 31 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1cye s ASN 32 N -3.07 5.68 -0.08 0.53 0.02 -1.25 -5.04 114.94 111.73 1cye s ASN 32 Ca 0.13 -2.00 0.01 0.00 -1.02 0.00 0.00 52.86 49.99 1cye s ASN 32 Cb 0.18 -2.00 0.02 0.00 0.02 0.00 0.00 41.25 39.48 1cye s ASN 32 CO 0.52 -0.66 -0.09 -0.69 0.02 0.00 0.00 177.10 176.20 1cye s VAL 33 N 1.24 0.97 0.32 1.60 1.01 -1.26 -0.52 120.40 123.76 1cye s VAL 33 Ca 0.07 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.81 1cye s VAL 33 Cb -0.25 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1cye s VAL 33 CO -0.01 0.34 0.11 -1.61 0.00 0.00 0.00 175.10 173.92 1cye s GLU 34 N 1.22 2.37 -0.09 2.72 8.01 0.10 -4.97 118.70 128.06 1cye s GLU 34 Ca -0.05 -1.51 0.04 0.00 0.01 0.00 0.00 54.97 53.47 1cye s GLU 34 Cb -0.14 -2.18 -0.00 0.00 -4.31 0.00 0.00 34.13 27.50 1cye s GLU 34 CO -0.02 0.18 -0.23 -2.00 0.01 0.00 0.00 175.26 173.19 1cye s GLU 35 N -3.80 2.85 0.03 1.61 2.12 -1.26 -1.58 118.70 118.67 1cye s GLU 35 Ca 0.36 -0.85 0.02 0.00 0.36 0.00 0.00 54.97 54.86 1cye s GLU 35 Cb -0.03 -2.20 -0.02 0.00 0.26 0.00 0.00 34.13 32.13 1cye s GLU 35 CO 0.22 0.21 -0.06 0.00 -0.54 0.00 0.00 175.26 175.08 1cye s ALA 36 N 0.26 0.45 -0.24 6.30 0.00 -0.88 -5.00 121.76 122.65 1cye s ALA 36 Ca -0.16 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 1cye s ALA 36 Cb -0.17 0.06 -0.15 0.00 0.00 0.00 0.00 23.12 22.86 1cye s ALA 36 CO 0.08 -0.05 -0.23 0.39 0.00 0.00 0.00 175.76 175.94 1cye n GLU 37 N 1.57 0.59 -4.26 0.00 -0.58 -1.26 -1.16 120.64 115.54 1cye n GLU 37 Ca -0.23 0.16 -0.15 0.00 -0.42 0.00 0.00 57.16 56.52 1cye n GLU 37 Cb 0.55 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 29.85 1cye n GLU 37 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1cye s ASP 38 N -6.50 1.90 0.25 1.62 2.15 -1.26 -1.71 116.67 113.13 1cye s ASP 38 Ca -0.33 -1.01 -0.12 0.00 0.43 0.00 0.00 52.55 51.53 1cye s ASP 38 Cb 0.09 -0.03 0.36 0.00 -0.30 0.00 0.00 42.92 43.04 1cye s ASP 38 CO 0.54 -0.30 1.52 0.61 -0.17 0.00 0.00 175.17 177.36 1cye n GLY 39 N -0.20 -1.79 0.36 2.66 0.00 -0.73 -1.12 105.19 104.36 1cye n GLY 39 Ca -0.10 1.06 -0.16 0.00 0.00 0.00 0.00 46.02 46.82 1cye n GLY 39 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1cye h VAL 40 N 0.00 0.33 -0.87 1.61 2.07 -1.93 -1.88 116.25 115.59 1cye h VAL 40 Ca 0.41 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.04 1cye h VAL 40 Cb 0.66 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 1cye h VAL 40 CO -0.99 0.00 0.56 0.44 0.02 0.00 0.00 177.57 177.60 1cye h ASP 41 N -0.74 0.75 -0.05 0.57 5.19 -1.68 -1.48 116.42 118.98 1cye h ASP 41 Ca -0.04 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1cye h ASP 41 Cb 0.64 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.01 1cye h ASP 41 CO -0.00 0.43 0.03 0.00 -3.12 0.00 0.00 179.24 176.58 1cye h ALA 42 N 1.57 0.06 -0.56 3.45 0.00 -0.59 -1.09 119.26 122.10 1cye h ALA 42 Ca 0.40 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.34 1cye h ALA 42 Cb 0.46 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1cye h ALA 42 CO -0.17 -0.44 0.34 -0.07 0.00 0.00 0.00 179.25 178.91 1cye h LEU 43 N 0.06 0.54 -0.03 0.00 3.38 -0.50 0.50 115.31 119.26 1cye h LEU 43 Ca 0.02 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1cye h LEU 43 Cb 0.00 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1cye h LEU 43 CO -0.00 0.38 -0.20 0.78 0.09 0.00 0.00 178.44 179.48 1cye h ASN 44 N 0.66 -0.60 0.09 -0.43 -0.26 -1.19 0.34 115.58 114.19 1cye h ASN 44 Ca 0.23 0.09 -0.00 0.00 -0.56 0.00 0.00 56.30 56.06 1cye h ASN 44 Cb 0.04 0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.55 1cye h ASN 44 CO -0.11 -0.26 -0.05 0.11 -1.06 0.00 0.00 177.43 176.06 1cye h LYS 45 N -0.31 -0.12 -0.31 0.81 1.79 -0.60 -3.23 116.57 114.60 1cye h LYS 45 Ca 0.07 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.60 1cye h LYS 45 Cb 0.40 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.02 1cye h LYS 45 CO -0.21 -0.08 -0.01 -0.07 -1.08 0.00 0.00 179.45 178.00 1cye h LEU 46 N -0.13 -0.16 -1.94 2.94 3.38 0.39 -2.53 115.31 117.27 1cye h LEU 46 Ca -0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1cye h LEU 46 Cb 0.10 0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1cye h LEU 46 CO 0.02 -0.04 0.14 1.56 0.09 0.00 0.00 178.44 180.20 1cye h GLN 47 N 0.07 0.00 0.00 1.13 7.50 -0.96 -1.09 115.11 121.77 1cye h GLN 47 Ca 0.15 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.30 1cye h GLN 47 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.74 1cye h GLN 47 CO -0.27 0.00 0.00 0.00 -1.50 0.00 0.00 178.83 177.06 1cye h ALA 48 N 1.69 1.00 0.00 3.87 0.00 -1.55 -3.49 119.26 120.78 1cye h ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cye h ALA 48 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 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 -0.36 -3.30 4.07 0.00 0.00 -0.41 -5.01 105.19 100.18 1cye n GLY 49 Ca -0.01 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.26 2.57 3.62 -0.02 0.00 -1.26 -4.95 105.19 104.89 1cye n GLY 50 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.50 1.99 -2.40 1.61 2.02 -1.26 -4.40 117.35 114.40 1cye s TYR 51 Ca 0.00 0.55 0.23 0.00 -0.37 0.00 0.00 57.07 57.47 1cye s TYR 51 Cb 0.00 -4.05 0.49 0.00 -0.40 0.00 0.00 41.96 38.00 1cye s TYR 51 CO 0.00 -2.99 1.43 0.41 -1.57 0.00 0.00 175.55 172.84 1cye n GLY 52 N 4.93 1.60 3.60 0.71 0.00 -0.52 -4.95 105.19 110.56 1cye n GLY 52 Ca 0.20 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.48 -0.58 -0.12 1.61 2.19 -0.95 -4.31 117.98 114.33 1cye s PHE 53 Ca 0.39 1.28 -0.00 0.00 0.33 0.00 0.00 56.93 58.92 1cye s PHE 53 Cb 0.22 0.36 0.02 0.00 -1.31 0.00 0.00 43.02 42.32 1cye s PHE 53 CO 0.31 -0.37 -0.10 0.08 1.83 0.00 0.00 175.22 176.97 1cye s VAL 54 N -0.26 1.20 -0.38 3.12 1.01 0.64 -0.83 120.40 124.90 1cye s VAL 54 Ca -0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1cye s VAL 54 Cb -0.03 -1.19 0.09 0.00 0.00 0.00 0.00 36.38 35.26 1cye s VAL 54 CO 0.01 0.40 0.16 -0.63 0.00 0.00 0.00 175.10 175.03 1cye s ILE 55 N 1.64 3.28 -0.09 2.22 1.01 0.26 -0.54 121.20 128.98 1cye s ILE 55 Ca 0.05 -1.86 0.04 0.00 0.00 0.00 0.00 60.65 58.88 1cye s ILE 55 Cb -0.13 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 1cye s ILE 55 CO -0.09 -0.55 -0.23 -0.55 0.00 0.00 0.00 174.94 173.52 1cye s SER 56 N 1.70 3.20 -0.02 3.58 0.15 -0.16 0.08 113.70 122.24 1cye s SER 56 Ca 0.05 -0.51 -0.30 0.00 0.70 0.00 0.00 55.95 55.89 1cye s SER 56 Cb -0.22 -1.25 -0.05 0.00 -1.71 0.00 0.00 66.02 62.79 1cye s SER 56 CO -0.03 0.19 1.35 -0.62 1.20 0.00 0.00 173.24 175.33 1cye s ASP 57 N 0.17 6.90 0.29 5.45 -1.08 0.09 -0.22 116.67 128.27 1cye s ASP 57 Ca -0.13 2.02 0.02 0.00 -0.52 0.00 0.00 52.55 53.94 1cye s ASP 57 Cb -0.16 -2.56 0.57 0.00 -1.46 0.00 0.00 42.92 39.31 1cye s ASP 57 CO 0.07 -0.69 1.86 -0.25 0.52 0.00 0.00 175.17 176.68 1cye h TRP 58 N 7.80 1.09 -2.71 -5.34 2.91 -0.64 -2.87 115.95 116.18 1cye h TRP 58 Ca -0.36 0.03 -0.69 0.00 1.13 0.00 0.00 58.89 58.99 1cye h TRP 58 Cb 1.17 -0.35 -0.18 0.00 -0.51 0.00 0.00 29.16 29.29 1cye h TRP 58 CO 0.75 0.47 0.55 1.21 -1.03 0.00 0.00 178.44 180.39 1cye s ASN 59 N -5.79 6.46 -0.04 2.65 2.47 -1.26 -1.24 114.94 118.19 1cye s ASN 59 Ca -0.12 -1.78 -0.01 0.00 0.42 0.00 0.00 52.86 51.37 1cye s ASN 59 Cb 0.22 -2.36 0.03 0.00 -1.45 0.00 0.00 41.25 37.68 1cye s ASN 59 CO 0.80 -1.10 0.05 -0.04 -3.72 0.00 0.00 177.10 173.09 1cye s MET 60 N 2.69 -0.01 0.16 0.43 -1.94 -1.25 -4.31 119.30 115.07 1cye s MET 60 Ca 0.25 0.31 -0.31 0.00 -1.71 0.00 0.00 55.69 54.22 1cye s MET 60 Cb -0.12 -0.49 -0.11 0.00 2.01 0.00 0.00 34.83 36.13 1cye s MET 60 CO -0.02 -0.29 1.76 -1.25 -0.01 0.00 0.00 175.02 175.21 1cye s PRO 61 N 1.88 4.14 0.00 2.03 0.04 -1.26 -2.80 135.00 139.03 1cye s PRO 61 Ca 0.01 2.57 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1cye s PRO 61 Cb -0.12 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1cye s PRO 61 CO -0.03 -0.78 0.00 0.09 0.04 0.00 0.00 177.00 176.32 1cye n ASN 62 N 4.82 0.00 -4.03 6.66 4.13 -1.26 -4.73 115.26 120.86 1cye n ASN 62 Ca 0.17 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 56.09 1cye n ASN 62 Cb 0.37 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.50 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 2.46 1.15 3.52 1.75 -1.25 -5.06 119.30 121.87 1cye s MET 63 Ca 0.00 -2.76 -0.13 0.00 -1.25 0.00 0.00 55.69 51.55 1cye s MET 63 Cb 0.00 -3.59 0.28 0.00 2.84 0.00 0.00 34.83 34.35 1cye s MET 63 CO 0.00 -1.18 1.04 0.16 -0.65 0.00 0.00 175.02 174.39 1cye s ASP 64 N -0.01 1.09 0.18 1.11 1.47 -1.12 -1.78 116.67 117.61 1cye s ASP 64 Ca 0.19 1.54 -0.20 0.00 1.18 0.00 0.00 52.55 55.26 1cye s ASP 64 Cb -0.19 -2.30 0.11 0.00 -0.34 0.00 0.00 42.92 40.21 1cye s ASP 64 CO -0.05 -4.13 1.60 1.23 0.68 0.00 0.00 175.17 174.50 1cye h GLY 65 N -2.58 -0.06 0.74 2.12 0.00 -0.93 -1.08 103.07 101.29 1cye h GLY 65 Ca -0.60 0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.15 1cye h GLY 65 CO 0.50 -0.21 0.34 -2.00 0.00 0.00 0.00 176.54 175.17 1cye h LEU 66 N -0.17 0.51 -0.57 3.11 5.85 -1.88 -1.20 115.31 120.97 1cye h LEU 66 Ca 0.22 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 1cye h LEU 66 Cb 0.53 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1cye h LEU 66 CO -0.61 0.34 -0.00 -0.33 -0.34 0.00 0.00 178.44 177.51 1cye h GLU 67 N 0.64 1.01 -0.66 1.25 4.39 -1.60 -2.72 114.58 116.89 1cye h GLU 67 Ca 0.26 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1cye h GLU 67 Cb 0.13 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1cye h GLU 67 CO -0.15 1.00 0.36 1.25 -1.16 0.00 0.00 179.01 180.31 1cye h LEU 68 N 0.90 0.82 -0.66 1.33 5.85 -0.56 -2.12 115.31 120.86 1cye h LEU 68 Ca 0.16 -0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.89 1cye h LEU 68 Cb 0.55 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 1cye h LEU 68 CO 0.03 0.68 0.26 0.25 -0.34 0.00 0.00 178.44 179.31 1cye h LEU 69 N 0.90 0.26 -0.36 2.25 5.85 -0.95 -1.73 115.31 121.52 1cye h LEU 69 Ca 0.23 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 59.00 1cye h LEU 69 Cb 0.04 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1cye h LEU 69 CO -0.04 0.14 0.08 0.11 -0.34 0.00 0.00 178.44 178.39 1cye h LYS 70 N 0.43 0.59 0.00 1.25 1.57 -1.13 -0.67 116.57 118.61 1cye h LYS 70 Ca 0.34 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1cye h LYS 70 Cb 0.44 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1cye h LYS 70 CO -0.33 0.64 -0.03 1.79 -0.57 0.00 0.00 179.45 180.95 1cye h THR 71 N 0.44 0.53 0.00 -0.16 1.35 -0.73 0.39 112.91 114.73 1cye h THR 71 Ca 0.11 -0.11 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1cye h THR 71 Cb 0.32 1.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1cye h THR 71 CO 0.00 0.03 -0.21 0.40 -0.25 0.00 0.00 175.52 175.48 1cye h ILE 72 N 0.00 0.05 -0.85 6.82 2.04 -0.73 -3.25 117.51 121.59 1cye h ILE 72 Ca -0.00 -1.05 0.19 0.00 1.00 0.00 0.00 64.86 65.01 1cye h ILE 72 Cb 0.07 0.10 -0.12 0.00 -0.74 0.00 0.00 36.82 36.14 1cye h ILE 72 CO 0.00 0.02 0.35 0.03 0.00 0.00 0.00 178.15 178.55 1cye h ARG 73 N -1.00 0.40 0.00 2.37 -0.00 -0.90 0.15 114.38 115.41 1cye h ARG 73 Ca -0.01 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 1cye h ARG 73 Cb 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.12 1cye h ARG 73 CO -0.00 0.26 -0.25 0.00 0.00 0.00 0.00 179.97 179.98 1cye n ALA 74 N -2.52 2.56 -2.67 0.04 0.00 0.11 -4.46 120.51 113.56 1cye n ALA 74 Ca 0.19 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 1cye n ALA 74 Cb 0.57 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 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 -4.35 6.46 0.00 0.00 -1.08 0.04 -4.94 116.67 112.80 1cye s ASP 75 Ca 0.09 -1.43 0.00 0.00 -0.52 0.00 0.00 52.55 50.69 1cye s ASP 75 Cb 0.13 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 1cye s ASP 75 CO 0.65 -1.44 0.00 0.61 0.52 0.00 0.00 175.17 175.50 1cye n GLY 76 N 6.26 0.00 0.20 2.66 0.00 -1.26 -0.70 105.19 112.34 1cye n GLY 76 Ca 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.21 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 0.61 0.00 4.61 0.00 -1.94 -2.91 119.26 119.64 1cye h ALA 77 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cye h ALA 77 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1cye h ALA 77 CO 0.00 -0.03 -0.01 -1.33 0.00 0.00 0.00 179.25 177.88 1cye n MET 78 N -4.83 0.08 -0.19 0.00 2.81 0.12 -4.65 117.12 110.46 1cye n MET 78 Ca 0.03 0.06 -0.05 0.00 -1.81 0.00 0.00 57.70 55.94 1cye n MET 78 Cb 0.08 -1.59 -0.05 0.00 -0.71 0.00 0.00 33.22 30.95 1cye n MET 78 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1cye n SER 79 N -1.73 -0.48 -0.16 7.83 2.88 0.09 -1.99 113.62 120.06 1cye n SER 79 Ca 0.07 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1cye n SER 79 Cb 0.37 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 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 -3.46 2.50 -2.41 -1.46 0.00 -1.26 -3.92 120.51 110.50 1cye n ALA 80 Ca 0.01 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1cye n ALA 80 Cb 0.12 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.73 3.45 0.08 0.00 1.43 -0.84 -4.92 118.68 117.15 1cye s LEU 81 Ca 0.01 0.38 -0.35 0.00 -1.03 0.00 0.00 54.13 53.13 1cye s LEU 81 Cb 0.00 -3.18 -0.19 0.00 0.03 0.00 0.00 46.19 42.85 1cye s LEU 81 CO 0.00 -1.61 0.86 -0.81 0.23 0.00 0.00 176.35 175.02 1cye n PRO 82 N 8.49 0.02 -4.09 1.29 -0.04 -1.26 -4.60 135.00 134.80 1cye n PRO 82 Ca 0.13 0.01 -0.33 0.00 -0.04 0.00 0.00 63.50 63.26 1cye n PRO 82 Cb 0.49 -1.32 -0.16 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.38 2.20 -0.39 0.52 1.01 -1.26 -0.26 120.40 121.84 1cye s VAL 83 Ca 0.80 -1.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 1cye s VAL 83 Cb -1.13 -2.01 0.07 0.00 0.00 0.00 0.00 36.38 33.31 1cye s VAL 83 CO 0.57 0.41 0.20 -0.22 0.00 0.00 0.00 175.10 176.05 1cye s LEU 84 N 1.27 4.88 -0.36 3.92 2.96 0.29 -1.89 118.68 129.75 1cye s LEU 84 Ca 0.02 -1.49 -0.29 0.00 -0.22 0.00 0.00 54.13 52.16 1cye s LEU 84 Cb -0.15 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.65 1cye s LEU 84 CO -0.11 -0.47 1.07 -0.04 -1.32 0.00 0.00 176.35 175.48 1cye s MET 85 N 1.36 3.97 -0.41 1.98 -1.94 -0.36 -0.99 119.30 122.91 1cye s MET 85 Ca 0.02 0.90 -0.16 0.00 -1.71 0.00 0.00 55.69 54.75 1cye s MET 85 Cb -0.22 -3.78 0.02 0.00 2.01 0.00 0.00 34.83 32.86 1cye s MET 85 CO 0.01 -1.01 0.34 0.08 -0.01 0.00 0.00 175.02 174.43 1cye s VAL 86 N 3.80 5.21 0.16 -6.03 1.01 0.69 -0.38 120.40 124.86 1cye s VAL 86 Ca 0.45 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.99 1cye s VAL 86 Cb -0.11 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1cye s VAL 86 CO 0.19 -0.32 -0.03 0.42 0.00 0.00 0.00 175.10 175.37 1cye s THR 87 N 1.83 3.61 0.38 3.92 -4.23 -0.22 0.15 115.64 121.08 1cye s THR 87 Ca 0.07 -1.42 0.10 0.00 -1.18 0.00 0.00 61.69 59.26 1cye s THR 87 Cb -0.18 -2.80 0.14 0.00 1.34 0.00 0.00 72.50 71.00 1cye s THR 87 CO 0.11 -0.08 1.89 0.00 -0.54 0.00 0.00 174.62 176.00 1cye h ALA 88 N 2.87 1.46 -1.92 3.99 0.00 -1.90 0.36 119.26 124.11 1cye h ALA 88 Ca -0.47 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.26 1cye h ALA 88 Cb 1.20 -0.08 -0.21 0.00 0.00 0.00 0.00 17.79 18.70 1cye h ALA 88 CO 0.57 0.38 -0.02 -2.00 0.00 0.00 0.00 179.25 178.18 1cye s GLU 89 N -4.60 0.61 -0.99 0.00 -6.30 -1.26 -4.79 118.70 101.36 1cye s GLU 89 Ca -0.05 1.28 -0.22 0.00 -2.50 0.00 0.00 54.97 53.48 1cye s GLU 89 Cb 0.15 0.51 0.07 0.00 0.00 0.00 0.00 34.13 34.86 1cye s GLU 89 CO 0.73 -0.17 1.36 0.00 0.02 0.00 0.00 175.26 177.21 1cye s ALA 90 N 2.28 2.88 -0.07 6.30 0.00 -1.26 -4.95 121.76 126.94 1cye s ALA 90 Ca -0.08 -2.35 0.05 0.00 0.00 0.00 0.00 51.96 49.58 1cye s ALA 90 Cb -0.08 -4.40 -0.00 0.00 0.00 0.00 0.00 23.12 18.63 1cye s ALA 90 CO -0.19 -3.45 -0.23 0.21 0.00 0.00 0.00 175.76 172.11 1cye s LYS 91 N 4.43 2.54 0.04 0.00 2.20 -1.26 -5.04 119.74 122.64 1cye s LYS 91 Ca 0.42 -0.82 -0.07 0.00 -0.36 0.00 0.00 55.97 55.14 1cye s LYS 91 Cb -0.02 -2.06 -0.02 0.00 -1.51 0.00 0.00 37.83 34.23 1cye s LYS 91 CO -0.09 0.27 0.40 1.63 -0.36 0.00 0.00 175.35 177.20 1cye n LYS 92 N 3.21 -0.10 -0.18 4.03 5.02 -1.26 -1.00 118.16 127.88 1cye n LYS 92 Ca -0.18 0.39 -0.01 0.00 -2.02 0.00 0.00 58.31 56.49 1cye n LYS 92 Cb 0.52 -0.58 0.08 0.00 -0.02 0.00 0.00 35.03 35.04 1cye n LYS 92 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1cye h GLU 93 N 0.00 0.29 -0.16 1.97 9.09 -2.00 -1.15 114.58 122.63 1cye h GLU 93 Ca 0.04 -0.02 -0.14 0.00 0.05 0.00 0.00 59.36 59.29 1cye h GLU 93 Cb 0.09 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.12 1cye h GLU 93 CO -0.22 0.19 -0.48 -2.95 0.05 0.00 0.00 179.01 175.61 1cye h ASN 94 N 0.30 0.45 0.34 3.06 7.08 -1.45 -1.38 115.58 123.98 1cye h ASN 94 Ca 0.27 -0.22 -0.02 0.00 -3.08 0.00 0.00 56.30 53.26 1cye h ASN 94 Cb 0.36 -0.13 0.00 0.00 -2.08 0.00 0.00 38.32 36.47 1cye h ASN 94 CO -0.32 0.86 -0.16 0.40 -2.08 0.00 0.00 177.43 176.13 1cye h ILE 95 N 0.33 0.67 -0.37 6.14 2.04 -0.96 -1.55 117.51 123.81 1cye h ILE 95 Ca 0.02 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.90 1cye h ILE 95 Cb 0.97 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1cye h ILE 95 CO 0.08 0.00 0.20 0.40 0.00 0.00 0.00 178.15 178.83 1cye h ILE 96 N -0.46 1.00 -0.52 -0.67 2.04 -1.09 -2.19 117.51 115.64 1cye h ILE 96 Ca -0.05 -0.14 0.10 0.00 1.00 0.00 0.00 64.86 65.77 1cye h ILE 96 Cb 0.35 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 36.92 1cye h ILE 96 CO 0.08 0.07 0.04 0.00 0.00 0.00 0.00 178.15 178.34 1cye h ALA 97 N 1.18 0.54 -0.21 1.87 0.00 -1.01 -0.04 119.26 121.58 1cye h ALA 97 Ca 0.15 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1cye h ALA 97 Cb 0.04 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1cye h ALA 97 CO -0.09 -0.36 0.09 0.00 0.00 0.00 0.00 179.25 178.89 1cye h ALA 98 N 1.44 0.28 -0.24 0.00 0.00 -0.84 -1.88 119.26 118.02 1cye h ALA 98 Ca 0.26 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1cye h ALA 98 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1cye h ALA 98 CO -0.40 -0.14 0.14 0.00 0.00 0.00 0.00 179.25 178.86 1cye h ALA 99 N 0.94 0.30 -0.68 0.00 0.00 -0.77 -2.01 119.26 117.03 1cye h ALA 99 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1cye h ALA 99 Cb 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1cye h ALA 99 CO -0.01 -0.25 0.44 1.96 0.00 0.00 0.00 179.25 181.39 1cye h GLN 100 N 0.29 0.90 0.00 0.00 1.08 -0.89 -1.94 115.11 114.56 1cye h GLN 100 Ca 0.09 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1cye h GLN 100 Cb -0.01 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.22 1cye h GLN 100 CO -0.04 0.61 0.00 0.00 -0.95 0.00 0.00 178.83 178.44 1cye n ALA 101 N -2.43 2.43 0.00 3.87 0.00 -0.72 -4.93 120.51 118.73 1cye n ALA 101 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1cye n ALA 101 Cb 0.05 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 0.95 3.61 0.00 0.00 -0.73 -4.48 105.19 105.63 1cye n GLY 102 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.61 1.28 0.31 4.61 0.00 -0.79 -4.84 120.51 120.46 1cye n ALA 103 Ca 0.00 0.06 0.17 0.00 0.00 0.00 0.00 53.44 53.67 1cye n ALA 103 Cb 0.00 -2.66 0.73 0.00 0.00 0.00 0.00 19.45 17.52 1cye n ALA 103 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1cye h SER 104 N 11.67 0.00 -4.83 0.00 4.64 -1.72 -3.43 113.55 119.89 1cye h SER 104 Ca -0.43 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 60.99 1cye h SER 104 Cb 1.27 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.22 1cye h SER 104 CO 0.96 0.00 0.44 -0.83 -0.87 0.00 0.00 176.83 176.54 1cye s GLY 105 N -4.02 -0.44 -0.11 -0.77 0.00 -0.79 -4.64 107.32 96.56 1cye s GLY 105 Ca 0.01 0.74 -0.05 0.00 0.00 0.00 0.00 44.72 45.42 1cye s GLY 105 CO 0.47 0.24 0.24 -0.47 0.00 0.00 0.00 173.10 173.58 1cye s TYR 106 N -3.26 -0.33 -0.03 1.90 6.14 -1.26 -1.23 117.35 119.28 1cye s TYR 106 Ca 0.06 0.81 0.03 0.00 0.64 0.00 0.00 57.07 58.60 1cye s TYR 106 Cb -0.01 -0.01 0.00 0.00 0.42 0.00 0.00 41.96 42.36 1cye s TYR 106 CO -0.07 -0.27 -0.10 0.54 0.64 0.00 0.00 175.55 176.29 1cye s VAL 107 N 1.69 0.88 0.10 3.14 0.11 0.49 -4.95 120.40 121.87 1cye s VAL 107 Ca -0.05 -0.43 -0.11 0.00 -2.93 0.00 0.00 61.98 58.47 1cye s VAL 107 Cb -0.11 -0.77 -0.06 0.00 -1.53 0.00 0.00 36.38 33.90 1cye s VAL 107 CO -0.08 0.27 0.44 0.54 -3.33 0.00 0.00 175.10 172.93 1cye s VAL 108 N 0.10 5.04 -0.11 2.04 0.11 -1.26 -1.06 120.40 125.26 1cye s VAL 108 Ca -0.02 0.53 -0.21 0.00 -2.93 0.00 0.00 61.98 59.35 1cye s VAL 108 Cb -0.08 -3.66 -0.04 0.00 -1.53 0.00 0.00 36.38 31.07 1cye s VAL 108 CO 0.01 0.26 0.59 -0.54 -3.33 0.00 0.00 175.10 172.09 1cye s LYS 109 N -1.97 4.36 0.51 1.54 1.02 0.12 -3.28 119.74 122.03 1cye s LYS 109 Ca 0.35 0.65 -0.14 0.00 0.02 0.00 0.00 55.97 56.85 1cye s LYS 109 Cb -0.14 -3.46 -0.07 0.00 -0.52 0.00 0.00 37.83 33.64 1cye s LYS 109 CO 0.19 0.05 0.94 -1.25 -0.92 0.00 0.00 175.35 174.36 1cye s PRO 110 N 0.91 3.84 0.05 -1.68 0.04 -1.26 -4.77 135.00 132.12 1cye s PRO 110 Ca 0.31 0.78 -0.09 0.00 0.04 0.00 0.00 61.00 62.04 1cye s PRO 110 Cb -0.16 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1cye s PRO 110 CO 0.13 -0.26 0.19 -0.59 0.04 0.00 0.00 177.00 176.51 1cye s PHE 111 N -2.66 0.08 0.50 0.56 -0.71 -1.21 -5.16 117.98 109.39 1cye s PHE 111 Ca 0.56 -0.35 0.03 0.00 -1.04 0.00 0.00 56.93 56.13 1cye s PHE 111 Cb -0.10 -0.04 -0.01 0.00 -1.21 0.00 0.00 43.02 41.66 1cye s PHE 111 CO 0.36 -0.45 0.11 -0.08 -1.34 0.00 0.00 175.22 173.82 1cye s THR 112 N -2.80 1.42 0.28 -4.49 -1.32 -1.26 -4.96 115.64 102.51 1cye s THR 112 Ca -0.03 -1.86 0.01 0.00 -1.21 0.00 0.00 61.69 58.60 1cye s THR 112 Cb 0.00 -2.28 0.26 0.00 -1.51 0.00 0.00 72.50 68.97 1cye s THR 112 CO -0.05 0.00 1.76 0.00 -2.21 0.00 0.00 174.62 174.12 1cye h ALA 113 N 1.24 1.40 0.26 11.08 0.00 -1.99 0.47 119.26 131.73 1cye h ALA 113 Ca -0.42 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1cye h ALA 113 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1cye h ALA 113 CO 0.70 -0.10 -0.13 0.00 0.00 0.00 0.00 179.25 179.72 1cye h ALA 114 N 1.60 -0.36 -0.40 0.00 0.00 -1.96 0.57 119.26 118.71 1cye h ALA 114 Ca 0.51 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.32 1cye h ALA 114 Cb 0.76 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1cye h ALA 114 CO -0.39 -0.63 0.19 1.15 0.00 0.00 0.00 179.25 179.58 1cye h THR 115 N -0.50 0.96 -0.01 0.00 2.02 -1.74 -0.14 112.91 113.51 1cye h THR 115 Ca -0.04 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.04 1cye h THR 115 Cb 0.37 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1cye h THR 115 CO 0.06 0.07 -0.17 0.25 0.37 0.00 0.00 175.52 176.10 1cye h LEU 116 N 0.39 -0.50 -0.44 2.58 6.46 -0.77 -2.52 115.31 120.51 1cye h LEU 116 Ca 0.17 0.07 0.05 0.00 -0.12 0.00 0.00 57.88 58.06 1cye h LEU 116 Cb 0.09 0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.19 1cye h LEU 116 CO -0.13 -0.23 0.16 -0.08 -0.62 0.00 0.00 178.44 177.54 1cye h GLU 117 N -0.27 0.33 -0.65 1.25 4.22 -0.19 -0.97 114.58 118.30 1cye h GLU 117 Ca 0.06 -0.02 0.12 0.00 0.08 0.00 0.00 59.36 59.60 1cye h GLU 117 Cb 0.35 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.44 1cye h GLU 117 CO -0.17 0.22 0.20 0.93 -2.18 0.00 0.00 179.01 178.00 1cye h GLU 118 N 0.34 0.34 -0.23 1.92 3.07 -0.62 0.19 114.58 119.58 1cye h GLU 118 Ca 0.21 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.36 58.98 1cye h GLU 118 Cb 0.19 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1cye h GLU 118 CO -0.20 0.22 -0.11 0.87 -1.40 0.00 0.00 179.01 178.38 1cye h LYS 119 N 0.35 0.48 -0.13 2.33 1.79 -1.09 -2.92 116.57 117.38 1cye h LYS 119 Ca 0.34 -0.21 0.04 0.00 -2.18 0.00 0.00 60.65 58.63 1cye h LYS 119 Cb 0.49 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.09 1cye h LYS 119 CO -0.38 0.76 -0.09 -0.07 -1.08 0.00 0.00 179.45 178.59 1cye h LEU 120 N 0.20 -0.29 -0.41 2.94 3.38 -0.48 -2.49 115.31 118.16 1cye h LEU 120 Ca 0.05 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.17 1cye h LEU 120 Cb 0.61 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.44 1cye h LEU 120 CO 0.03 -0.12 -0.11 0.78 0.09 0.00 0.00 178.44 179.11 1cye h ASN 121 N -0.09 -0.41 -0.43 -0.43 4.21 -0.97 -0.66 115.58 116.81 1cye h ASN 121 Ca 0.08 0.13 0.07 0.00 1.21 0.00 0.00 56.30 57.78 1cye h ASN 121 Cb 0.21 0.27 -0.06 0.00 -1.12 0.00 0.00 38.32 37.62 1cye h ASN 121 CO -0.19 -0.15 0.10 0.50 -1.29 0.00 0.00 177.43 176.40 1cye h LYS 122 N -0.01 0.23 -0.47 0.81 3.64 -1.30 -1.97 116.57 117.50 1cye h LYS 122 Ca 0.20 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1cye h LYS 122 Cb 0.31 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1cye h LYS 122 CO -0.43 0.15 0.21 0.82 -2.27 0.00 0.00 179.45 177.93 1cye h ILE 123 N 0.23 1.20 -0.32 2.00 2.04 -0.93 -2.53 117.51 119.20 1cye h ILE 123 Ca 0.21 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1cye h ILE 123 Cb 0.25 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1cye h ILE 123 CO -0.26 0.22 0.16 -0.26 0.00 0.00 0.00 178.15 178.00 1cye h PHE 124 N 0.61 0.42 -0.44 1.37 0.04 -0.54 -1.11 116.94 117.28 1cye h PHE 124 Ca 0.16 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.90 1cye h PHE 124 Cb 0.15 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 1cye h PHE 124 CO -0.00 0.32 0.19 0.93 -0.60 0.00 0.00 178.31 179.15 1cye h GLU 125 N 0.44 0.65 -0.80 1.51 4.39 -0.95 -0.62 114.58 119.20 1cye h GLU 125 Ca 0.11 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1cye h GLU 125 Cb 0.05 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 1cye h GLU 125 CO -0.02 0.58 0.35 -0.22 -1.16 0.00 0.00 179.01 178.54 1cye h LYS 126 N 0.57 1.18 0.00 2.33 3.64 -1.15 -2.14 116.57 121.00 1cye h LYS 126 Ca 0.15 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1cye h LYS 126 Cb 0.16 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1cye h LYS 126 CO -0.02 0.93 0.00 1.28 -2.27 0.00 0.00 179.45 179.38 1cye n LEU 127 N -4.29 0.00 -1.22 5.20 4.77 -0.50 -4.90 117.00 116.06 1cye n LEU 127 Ca 0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.94 1cye n LEU 127 Cb 0.17 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1cye n LEU 127 CO 0.40 0.00 -0.14 0.61 -1.33 0.00 0.00 177.39 176.93 1cye n GLY 128 N 0.75 0.13 0.65 -0.72 0.00 -0.80 -5.06 105.19 100.14 1cye n GLY 128 Ca 0.21 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.93 1cye n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35