#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 2.56 -0.92 0.55 0.15 -1.26 -5.08 113.70 109.69 1cye s SER 2 Ca 0.00 -0.54 -0.23 0.00 0.70 0.00 0.00 55.95 55.87 1cye s SER 2 Cb 0.00 -0.21 0.06 0.00 -1.71 0.00 0.00 66.02 64.16 1cye s SER 2 CO 0.00 0.16 1.34 -0.62 1.20 0.00 0.00 173.24 175.32 1cye s ASP 3 N -1.24 6.42 0.61 5.45 -1.08 -1.26 -4.86 116.67 120.71 1cye s ASP 3 Ca 0.08 -1.27 0.31 0.00 -0.52 0.00 0.00 52.55 51.15 1cye s ASP 3 Cb -0.09 -2.54 1.74 0.00 -1.46 0.00 0.00 42.92 40.57 1cye s ASP 3 CO 0.02 -1.52 2.10 0.11 0.52 0.00 0.00 175.17 176.39 1cye h LYS 4 N 9.71 0.00 -3.29 4.34 1.57 -1.98 -3.26 116.57 123.66 1cye h LYS 4 Ca 0.05 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 58.10 1cye h LYS 4 Cb 1.02 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.24 1cye h LYS 4 CO 1.34 0.00 2.60 0.39 -0.57 0.00 0.00 179.45 183.21 1cye n GLU 5 N -3.58 3.74 -3.99 3.15 -0.58 -1.26 -3.62 120.64 114.50 1cye n GLU 5 Ca 0.01 -3.14 -0.36 0.00 -0.42 0.00 0.00 57.16 53.25 1cye n GLU 5 Cb 0.32 -2.90 -0.08 0.00 -0.57 0.00 0.00 31.44 28.21 1cye n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1cye s LEU 6 N -0.17 4.05 -0.45 -4.62 0.20 -1.23 -4.90 118.68 111.55 1cye s LEU 6 Ca 0.49 0.27 -0.29 0.00 0.69 0.00 0.00 54.13 55.29 1cye s LEU 6 Cb 0.14 -1.99 0.02 0.00 -0.43 0.00 0.00 46.19 43.93 1cye s LEU 6 CO -0.05 0.31 1.25 -0.54 -0.29 0.00 0.00 176.35 177.03 1cye s LYS 7 N -0.43 3.67 -0.03 1.98 1.02 -1.25 -3.88 119.74 120.84 1cye s LYS 7 Ca 0.10 0.74 0.02 0.00 0.02 0.00 0.00 55.97 56.85 1cye s LYS 7 Cb -0.12 -3.95 -0.03 0.00 -0.52 0.00 0.00 37.83 33.21 1cye s LYS 7 CO 0.02 -1.45 -0.05 -0.06 -0.92 0.00 0.00 175.35 172.89 1cye s PHE 8 N 4.84 2.95 -0.27 3.18 0.40 0.83 -0.79 117.98 129.12 1cye s PHE 8 Ca 0.54 0.01 0.01 0.00 -0.60 0.00 0.00 56.93 56.89 1cye s PHE 8 Cb -0.10 -1.66 0.05 0.00 0.51 0.00 0.00 43.02 41.82 1cye s PHE 8 CO 0.32 0.38 -0.07 -1.17 0.70 0.00 0.00 175.22 175.37 1cye s LEU 9 N -1.21 3.58 -0.51 -0.37 0.20 -0.46 -0.23 118.68 119.68 1cye s LEU 9 Ca 0.16 -1.32 -0.25 0.00 0.69 0.00 0.00 54.13 53.41 1cye s LEU 9 Cb -0.11 -1.61 0.03 0.00 -0.43 0.00 0.00 46.19 44.07 1cye s LEU 9 CO 0.06 -0.21 0.93 -0.69 -0.29 0.00 0.00 176.35 176.14 1cye s VAL 10 N 1.17 4.44 -0.54 1.68 1.01 0.11 -0.80 120.40 127.47 1cye s VAL 10 Ca -0.07 0.49 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 1cye s VAL 10 Cb -0.20 -4.48 0.14 0.00 0.00 0.00 0.00 36.38 31.84 1cye s VAL 10 CO -0.04 -0.97 0.34 -0.69 0.00 0.00 0.00 175.10 173.75 1cye s VAL 11 N 3.83 3.54 -0.03 2.92 1.01 0.11 -0.45 120.40 131.33 1cye s VAL 11 Ca 0.33 -2.59 0.01 0.00 0.00 0.00 0.00 61.98 59.73 1cye s VAL 11 Cb -0.11 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.93 1cye s VAL 11 CO 0.23 -0.80 -0.04 -0.62 0.00 0.00 0.00 175.10 173.86 1cye s ASP 12 N 1.15 0.77 0.58 3.32 -1.08 -0.70 -0.61 116.67 120.11 1cye s ASP 12 Ca 0.13 -0.10 0.30 0.00 -0.52 0.00 0.00 52.55 52.36 1cye s ASP 12 Cb -0.21 -0.33 1.80 0.00 -1.46 0.00 0.00 42.92 42.72 1cye s ASP 12 CO -0.04 -0.04 2.24 -2.24 0.52 0.00 0.00 175.17 175.62 1cye h ASP 13 N 6.94 0.00 -3.33 -0.34 2.03 -1.55 -3.38 116.42 116.78 1cye h ASP 13 Ca -0.37 0.00 -0.73 0.00 -0.73 0.00 0.00 57.03 55.19 1cye h ASP 13 Cb 1.16 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 39.42 1cye h ASP 13 CO 0.48 0.02 -0.36 0.12 -1.03 0.00 0.00 179.24 178.47 1cye s PHE 14 N -4.56 3.26 0.31 4.15 5.36 -1.26 -4.98 117.98 120.26 1cye s PHE 14 Ca -0.05 -1.01 0.04 0.00 -0.96 0.00 0.00 56.93 54.95 1cye s PHE 14 Cb 0.15 -3.11 0.80 0.00 -0.34 0.00 0.00 43.02 40.52 1cye s PHE 14 CO 0.55 -0.80 1.58 0.66 -1.46 0.00 0.00 175.22 175.75 1cye h SER 15 N 8.69 -0.33 0.25 6.13 4.64 -1.98 0.17 113.55 131.12 1cye h SER 15 Ca -0.28 0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1cye h SER 15 Cb 1.11 0.43 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 1cye h SER 15 CO 0.85 -0.33 -0.12 0.71 -0.87 0.00 0.00 176.83 177.07 1cye h THR 16 N 0.04 0.80 -0.86 2.95 1.35 -1.93 -1.72 112.91 113.53 1cye h THR 16 Ca 0.61 -0.26 -0.01 0.00 -0.55 0.00 0.00 66.41 66.21 1cye h THR 16 Cb 1.31 0.95 -0.04 0.00 -1.73 0.00 0.00 68.15 68.64 1cye h THR 16 CO -0.86 0.06 0.52 -0.03 -0.25 0.00 0.00 175.52 174.95 1cye h MET 17 N -0.46 1.17 -0.10 4.72 -1.53 -1.61 -1.87 114.93 115.25 1cye h MET 17 Ca -0.03 -0.11 0.04 0.00 -3.44 0.00 0.00 59.70 56.16 1cye h MET 17 Cb 0.35 -0.25 -0.04 0.00 -0.55 0.00 0.00 31.60 31.11 1cye h MET 17 CO 0.06 0.82 -0.13 -0.09 0.14 0.00 0.00 176.91 177.71 1cye h ARG 18 N 1.19 -0.16 -0.50 0.39 2.43 -0.56 -2.23 114.38 114.95 1cye h ARG 18 Ca 0.31 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.44 1cye h ARG 18 Cb -0.04 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1cye h ARG 18 CO -0.06 -0.11 0.09 -0.09 -1.51 0.00 0.00 179.97 178.30 1cye h ARG 19 N -0.17 0.77 -0.41 0.20 2.43 -0.71 -2.56 114.38 113.93 1cye h ARG 19 Ca 0.08 -0.16 0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1cye h ARG 19 Cb 0.28 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 1cye h ARG 19 CO -0.20 0.72 0.12 0.82 -1.51 0.00 0.00 179.97 179.91 1cye h ILE 20 N 0.74 0.84 -0.56 1.20 1.08 -0.79 -0.18 117.51 119.83 1cye h ILE 20 Ca 0.16 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.54 1cye h ILE 20 Cb 0.32 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 1cye h ILE 20 CO 0.00 0.05 0.37 0.58 -0.69 0.00 0.00 178.15 178.46 1cye h VAL 21 N 0.27 1.15 -0.29 1.67 2.07 -1.04 -0.71 116.25 119.37 1cye h VAL 21 Ca 0.19 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.50 1cye h VAL 21 Cb 0.21 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 1cye h VAL 21 CO -0.22 0.14 -0.07 -0.09 0.02 0.00 0.00 177.57 177.35 1cye h ARG 22 N 0.76 -0.00 -0.55 1.57 1.12 -0.98 -0.92 114.38 115.37 1cye h ARG 22 Ca 0.20 0.00 0.01 0.00 -1.11 0.00 0.00 59.98 59.08 1cye h ARG 22 Cb -0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 29.85 1cye h ARG 22 CO -0.04 -0.00 0.36 -0.91 -3.11 0.00 0.00 179.97 176.26 1cye h ASN 23 N -0.00 0.61 0.02 -3.80 -0.26 -0.38 -2.00 115.58 109.77 1cye h ASN 23 Ca 0.14 -0.01 0.02 0.00 -0.56 0.00 0.00 56.30 55.89 1cye h ASN 23 Cb 0.21 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.30 1cye h ASN 23 CO -0.30 0.44 -0.17 -0.07 -1.06 0.00 0.00 177.43 176.27 1cye h LEU 24 N 0.72 -0.49 -0.59 1.61 3.38 -0.60 -1.25 115.31 118.08 1cye h LEU 24 Ca 0.21 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.32 1cye h LEU 24 Cb -0.06 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1cye h LEU 24 CO -0.06 -0.23 0.25 -0.07 0.09 0.00 0.00 178.44 178.42 1cye h LEU 25 N -0.29 0.29 -0.46 1.67 3.38 -0.83 -0.85 115.31 118.22 1cye h LEU 25 Ca 0.05 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1cye h LEU 25 Cb 0.35 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1cye h LEU 25 CO -0.15 0.18 0.21 0.11 0.09 0.00 0.00 178.44 178.88 1cye h LYS 26 N 0.46 0.41 -0.95 1.13 1.57 -0.92 0.13 116.57 118.40 1cye h LYS 26 Ca 0.29 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.06 1cye h LYS 26 Cb 0.31 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 1cye h LYS 26 CO -0.26 0.27 0.63 0.93 -0.57 0.00 0.00 179.45 180.45 1cye h GLU 27 N 0.42 1.22 0.00 3.15 5.08 -0.51 -0.73 114.58 123.21 1cye h GLU 27 Ca 0.21 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1cye h GLU 27 Cb 0.15 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1cye h GLU 27 CO -0.17 0.81 0.00 -0.07 -1.00 0.00 0.00 179.01 178.58 1cye h LEU 28 N 1.25 0.00 0.00 1.33 4.07 -0.23 -3.46 115.31 118.27 1cye h LEU 28 Ca 0.36 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.32 1cye h LEU 28 Cb -0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.65 1cye h LEU 28 CO -0.09 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.88 1cye n GLY 29 N 0.11 0.67 2.82 0.83 0.00 -0.28 -5.02 105.19 104.31 1cye n GLY 29 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1cye n GLY 29 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1cye n PHE 30 N -1.15 2.67 0.40 1.61 3.72 0.37 -4.22 117.46 120.86 1cye n PHE 30 Ca 0.00 -2.72 0.11 0.00 -0.05 0.00 0.00 57.45 54.79 1cye n PHE 30 Cb 0.00 -1.70 0.47 0.00 -0.94 0.00 0.00 39.48 37.31 1cye n PHE 30 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1cye n ASN 31 N 2.58 0.58 -4.33 4.37 3.02 -1.26 -3.38 115.26 116.84 1cye n ASN 31 Ca 0.41 0.65 -0.44 0.00 -0.03 0.00 0.00 54.58 55.17 1cye n ASN 31 Cb 0.33 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 1cye n ASN 31 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1cye n ASN 32 N -2.15 5.36 -4.07 6.41 4.13 -1.25 -4.90 115.26 118.78 1cye n ASN 32 Ca 0.02 -3.04 -0.26 0.00 1.68 0.00 0.00 54.58 52.98 1cye n ASN 32 Cb 0.21 -1.49 -0.17 0.00 -1.54 0.00 0.00 39.78 36.79 1cye n ASN 32 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1cye s VAL 33 N 0.44 1.33 0.19 2.41 0.11 -1.26 -0.12 120.40 123.50 1cye s VAL 33 Ca 0.39 -0.61 0.06 0.00 -2.93 0.00 0.00 61.98 58.89 1cye s VAL 33 Cb -0.03 -1.19 -0.04 0.00 -1.53 0.00 0.00 36.38 33.60 1cye s VAL 33 CO -0.01 0.40 0.13 -0.70 -3.33 0.00 0.00 175.10 171.58 1cye s GLU 34 N 0.51 2.82 -0.14 1.54 -6.30 0.68 -4.97 118.70 112.83 1cye s GLU 34 Ca -0.14 -0.96 0.01 0.00 -2.50 0.00 0.00 54.97 51.38 1cye s GLU 34 Cb -0.15 -2.57 0.02 0.00 0.00 0.00 0.00 34.13 31.42 1cye s GLU 34 CO 0.04 0.46 -0.16 -1.21 0.02 0.00 0.00 175.26 174.41 1cye s GLU 35 N -3.28 2.41 0.14 4.30 2.02 -1.26 -0.71 118.70 122.32 1cye s GLU 35 Ca 0.31 -0.61 0.05 0.00 0.02 0.00 0.00 54.97 54.74 1cye s GLU 35 Cb -0.09 -2.12 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 1cye s GLU 35 CO 0.23 -0.17 -0.12 0.00 0.02 0.00 0.00 175.26 175.22 1cye s ALA 36 N 1.27 1.53 -0.19 5.21 0.00 0.40 -4.98 121.76 125.00 1cye s ALA 36 Ca 0.01 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.56 1cye s ALA 36 Cb -0.14 -0.02 -0.12 0.00 0.00 0.00 0.00 23.12 22.84 1cye s ALA 36 CO -0.08 0.01 -0.18 0.39 0.00 0.00 0.00 175.76 175.91 1cye n GLU 37 N 0.13 0.48 -4.30 0.00 1.02 -1.26 -1.71 120.64 114.99 1cye n GLU 37 Ca -0.12 0.12 -0.16 0.00 -0.02 0.00 0.00 57.16 56.97 1cye n GLU 37 Cb 0.59 -1.37 -0.10 0.00 -0.02 0.00 0.00 31.44 30.53 1cye n GLU 37 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1cye s ASP 38 N -5.92 1.92 0.25 1.62 1.01 -1.26 -1.84 116.67 112.44 1cye s ASP 38 Ca -0.26 -1.10 -0.11 0.00 0.71 0.00 0.00 52.55 51.79 1cye s ASP 38 Cb 0.07 -0.02 0.35 0.00 1.01 0.00 0.00 42.92 44.33 1cye s ASP 38 CO 0.44 -0.38 1.58 1.23 0.21 0.00 0.00 175.17 178.24 1cye h GLY 39 N 2.62 0.54 0.88 0.21 0.00 -1.39 -0.38 103.07 105.54 1cye h GLY 39 Ca -0.37 0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1cye h GLY 39 CO 0.64 -0.31 -0.19 -2.08 0.00 0.00 0.00 176.54 174.60 1cye h VAL 40 N -0.01 0.60 -0.76 4.60 2.07 -1.87 -0.80 116.25 120.07 1cye h VAL 40 Ca 0.40 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.96 1cye h VAL 40 Cb 0.63 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1cye h VAL 40 CO -0.89 0.00 0.50 0.44 0.02 0.00 0.00 177.57 177.64 1cye h ASP 41 N -0.46 0.78 0.39 0.57 5.19 -1.69 -1.46 116.42 119.74 1cye h ASP 41 Ca -0.02 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.36 1cye h ASP 41 Cb 0.39 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.73 1cye h ASP 41 CO 0.01 0.53 -0.19 0.00 -3.12 0.00 0.00 179.24 176.48 1cye h ALA 42 N 1.56 -0.52 -0.75 3.45 0.00 -0.70 -1.21 119.26 121.10 1cye h ALA 42 Ca 0.31 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1cye h ALA 42 Cb 0.10 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1cye h ALA 42 CO -0.09 -0.76 0.40 1.25 0.00 0.00 0.00 179.25 180.05 1cye h LEU 43 N -0.59 0.92 -0.09 0.00 5.85 -0.36 0.53 115.31 121.57 1cye h LEU 43 Ca -0.05 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1cye h LEU 43 Cb 0.44 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1cye h LEU 43 CO 0.09 0.75 -0.05 0.78 -0.34 0.00 0.00 178.44 179.67 1cye h ASN 44 N 1.04 -0.15 -0.37 1.25 -0.26 -1.14 0.14 115.58 116.09 1cye h ASN 44 Ca 0.26 0.04 -0.09 0.00 -0.56 0.00 0.00 56.30 55.95 1cye h ASN 44 Cb 0.03 0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 1cye h ASN 44 CO -0.04 -0.06 -0.11 0.11 -1.06 0.00 0.00 177.43 176.26 1cye h LYS 45 N -0.04 0.72 -0.50 0.81 1.57 -0.47 -3.32 116.57 115.35 1cye h LYS 45 Ca 0.05 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.55 1cye h LYS 45 Cb 0.12 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1cye h LYS 45 CO -0.12 0.89 0.33 -0.07 -0.57 0.00 0.00 179.45 179.90 1cye h LEU 46 N 0.52 0.56 -1.23 2.94 3.38 0.42 -2.99 115.31 118.91 1cye h LEU 46 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1cye h LEU 46 Cb 0.63 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1cye h LEU 46 CO 0.04 0.41 0.08 0.00 0.09 0.00 0.00 178.44 179.06 1cye n GLN 47 N -4.75 0.12 0.26 1.13 10.64 0.45 -1.29 117.38 123.94 1cye n GLN 47 Ca 0.02 0.61 0.13 0.00 -1.83 0.00 0.00 57.00 55.94 1cye n GLN 47 Cb 0.03 -1.98 0.70 0.00 -0.86 0.00 0.00 30.24 28.13 1cye n GLN 47 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1cye h ALA 48 N 1.78 1.16 0.00 2.61 0.00 -1.70 -3.49 119.26 119.62 1cye h ALA 48 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1cye h ALA 48 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1cye h ALA 48 CO 0.00 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.81 1cye n GLY 49 N -0.43 -3.14 3.72 0.00 0.00 -0.41 -5.00 105.19 99.91 1cye n GLY 49 Ca -0.01 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.42 2.73 3.61 -0.02 0.00 -1.26 -4.97 105.19 104.86 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 -0.57 1.54 -1.58 1.61 2.02 -1.26 -4.53 117.35 114.58 1cye s TYR 51 Ca 0.00 0.52 0.17 0.00 -0.37 0.00 0.00 57.07 57.39 1cye s TYR 51 Cb 0.00 -4.04 0.59 0.00 -0.40 0.00 0.00 41.96 38.11 1cye s TYR 51 CO 0.00 -3.56 1.48 0.41 -1.57 0.00 0.00 175.55 172.31 1cye n GLY 52 N 5.44 2.14 3.63 0.71 0.00 0.03 -4.91 105.19 112.23 1cye n GLY 52 Ca 0.25 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.50 -0.44 -0.10 1.61 2.19 -0.92 -4.38 117.98 114.44 1cye s PHE 53 Ca 0.43 1.04 0.00 0.00 0.33 0.00 0.00 56.93 58.73 1cye s PHE 53 Cb 0.25 0.38 0.02 0.00 -1.31 0.00 0.00 43.02 42.36 1cye s PHE 53 CO 0.25 -0.23 -0.09 0.08 1.83 0.00 0.00 175.22 177.06 1cye s VAL 54 N 0.07 1.05 -0.40 3.12 1.01 -0.12 -1.36 120.40 123.77 1cye s VAL 54 Ca 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1cye s VAL 54 Cb -0.05 -1.04 0.09 0.00 0.00 0.00 0.00 36.38 35.39 1cye s VAL 54 CO -0.06 0.36 0.19 -0.63 0.00 0.00 0.00 175.10 174.97 1cye s ILE 55 N 1.44 3.49 -0.06 2.22 1.01 0.02 -0.77 121.20 128.55 1cye s ILE 55 Ca 0.00 -1.80 0.05 0.00 0.00 0.00 0.00 60.65 58.90 1cye s ILE 55 Cb -0.13 -3.27 -0.00 0.00 0.01 0.00 0.00 42.46 39.06 1cye s ILE 55 CO -0.05 -0.57 -0.22 -0.55 0.00 0.00 0.00 174.94 173.55 1cye s SER 56 N 1.85 2.73 0.02 3.58 0.15 0.01 0.10 113.70 122.15 1cye s SER 56 Ca 0.05 -0.46 -0.30 0.00 0.70 0.00 0.00 55.95 55.93 1cye s SER 56 Cb -0.23 -0.89 -0.05 0.00 -1.71 0.00 0.00 66.02 63.14 1cye s SER 56 CO -0.02 0.19 1.24 -0.62 1.20 0.00 0.00 173.24 175.22 1cye s ASP 57 N 0.05 7.03 0.22 5.45 -1.08 0.21 -0.24 116.67 128.32 1cye s ASP 57 Ca -0.08 1.99 -0.08 0.00 -0.52 0.00 0.00 52.55 53.86 1cye s ASP 57 Cb -0.14 -2.57 0.30 0.00 -1.46 0.00 0.00 42.92 39.04 1cye s ASP 57 CO 0.04 -0.54 1.80 -0.25 0.52 0.00 0.00 175.17 176.74 1cye h TRP 58 N 7.13 0.72 -2.69 -5.34 2.91 -0.75 -2.69 115.95 115.24 1cye h TRP 58 Ca -0.39 0.03 -0.69 0.00 1.13 0.00 0.00 58.89 58.97 1cye h TRP 58 Cb 1.19 -0.22 -0.18 0.00 -0.51 0.00 0.00 29.16 29.45 1cye h TRP 58 CO 0.70 0.32 0.55 -0.80 -1.03 0.00 0.00 178.44 178.18 1cye s ASN 59 N -5.59 6.44 -0.05 2.65 -0.87 -1.26 -1.10 114.94 115.15 1cye s ASN 59 Ca -0.13 -1.72 -0.02 0.00 -1.57 0.00 0.00 52.86 49.42 1cye s ASN 59 Cb 0.17 -2.37 0.04 0.00 -0.02 0.00 0.00 41.25 39.07 1cye s ASN 59 CO 0.77 -1.13 0.09 -0.04 -2.57 0.00 0.00 177.10 174.22 1cye s MET 60 N 2.81 -0.03 0.90 -0.60 -1.94 -1.25 -4.31 119.30 114.87 1cye s MET 60 Ca 0.24 0.41 -0.12 0.00 -1.71 0.00 0.00 55.69 54.51 1cye s MET 60 Cb -0.12 -0.39 0.06 0.00 2.01 0.00 0.00 34.83 36.40 1cye s MET 60 CO -0.01 -0.29 0.72 -2.30 -0.01 0.00 0.00 175.02 173.12 1cye n PRO 61 N 5.10 -0.20 0.00 2.03 -0.02 -1.26 -2.86 135.00 137.78 1cye n PRO 61 Ca -0.08 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1cye n PRO 61 Cb 0.50 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1cye n PRO 61 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1cye n ASN 62 N -2.23 0.00 -3.86 2.55 0.23 -1.26 -4.28 115.26 106.42 1cye n ASN 62 Ca 0.09 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.85 1cye n ASN 62 Cb 0.52 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 38.07 1cye n ASN 62 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1cye s MET 63 N 0.00 1.21 1.01 -3.83 0.00 -1.26 -5.00 119.30 111.44 1cye s MET 63 Ca 0.00 -0.88 -0.11 0.00 0.00 0.00 0.00 55.69 54.70 1cye s MET 63 Cb 0.00 -2.40 0.20 0.00 0.00 0.00 0.00 34.83 32.63 1cye s MET 63 CO 0.00 -0.68 1.09 0.16 0.00 0.00 0.00 175.02 175.59 1cye s ASP 64 N 1.54 2.24 0.14 1.11 1.47 -1.14 -1.34 116.67 120.68 1cye s ASP 64 Ca -0.02 1.80 -0.26 0.00 1.18 0.00 0.00 52.55 55.25 1cye s ASP 64 Cb -0.18 -2.40 -0.02 0.00 -0.34 0.00 0.00 42.92 39.98 1cye s ASP 64 CO -0.09 -3.46 1.61 1.23 0.68 0.00 0.00 175.17 175.14 1cye h GLY 65 N -2.12 -0.41 0.71 2.12 0.00 -0.76 -0.37 103.07 102.25 1cye h GLY 65 Ca -0.52 0.38 0.07 0.00 0.00 0.00 0.00 47.33 47.26 1cye h GLY 65 CO 0.47 -0.22 0.59 -2.00 0.00 0.00 0.00 176.54 175.38 1cye h LEU 66 N -0.38 0.92 -0.50 3.11 5.85 -1.85 -0.12 115.31 122.34 1cye h LEU 66 Ca 0.10 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 1cye h LEU 66 Cb 0.53 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1cye h LEU 66 CO -0.34 0.58 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.11 1cye h GLU 67 N 1.05 0.99 -0.85 1.25 4.22 -1.65 -2.96 114.58 116.63 1cye h GLU 67 Ca 0.41 -0.39 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 1cye h GLU 67 Cb 0.19 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1cye h GLU 67 CO -0.18 1.07 0.50 1.25 -2.18 0.00 0.00 179.01 179.47 1cye h LEU 68 N 0.84 1.03 -0.34 1.64 7.12 -0.16 -2.23 115.31 123.21 1cye h LEU 68 Ca 0.12 -0.07 0.07 0.00 0.13 0.00 0.00 57.88 58.13 1cye h LEU 68 Cb 0.73 -0.26 -0.07 0.00 -0.53 0.00 0.00 40.66 40.52 1cye h LEU 68 CO 0.06 0.80 -0.15 0.25 -0.13 0.00 0.00 178.44 179.26 1cye h LEU 69 N 1.17 -0.53 -0.70 2.25 6.46 -0.90 -2.28 115.31 120.79 1cye h LEU 69 Ca 0.30 0.13 0.02 0.00 -0.12 0.00 0.00 57.88 58.21 1cye h LEU 69 Cb -0.03 0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 40.15 1cye h LEU 69 CO -0.06 -0.19 0.45 0.11 -0.62 0.00 0.00 178.44 178.14 1cye h LYS 70 N -0.10 0.88 0.00 1.25 1.57 -1.27 -0.04 116.57 118.87 1cye h LYS 70 Ca 0.17 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1cye h LYS 70 Cb 0.36 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1cye h LYS 70 CO -0.40 0.58 0.00 0.25 -0.57 0.00 0.00 179.45 179.31 1cye n THR 71 N -4.63 0.07 -0.02 -0.16 -2.24 -0.87 -0.66 114.28 105.77 1cye n THR 71 Ca 0.07 0.02 -0.04 0.00 -2.27 0.00 0.00 64.05 61.83 1cye n THR 71 Cb 0.05 -0.78 -0.01 0.00 -2.10 0.00 0.00 70.33 67.48 1cye n THR 71 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1cye n ILE 72 N -1.03 1.10 -0.26 2.28 5.41 -0.67 -4.38 119.36 121.81 1cye n ILE 72 Ca 0.11 0.27 0.05 0.00 1.00 0.00 0.00 62.75 64.18 1cye n ILE 72 Cb 0.06 -1.84 0.19 0.00 -0.71 0.00 0.00 39.64 37.34 1cye n ILE 72 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1cye h ARG 73 N -0.41 0.41 -0.01 0.38 -0.00 -0.90 0.04 114.38 113.88 1cye h ARG 73 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 1cye h ARG 73 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.29 1cye h ARG 73 CO 0.00 0.27 -0.25 0.00 0.00 0.00 0.00 179.97 179.99 1cye n ALA 74 N -2.53 3.06 -2.77 0.04 0.00 0.17 -4.43 120.51 114.06 1cye n ALA 74 Ca 0.14 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 1cye n ALA 74 Cb 0.42 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.34 6.17 0.00 0.00 -1.08 -0.02 -4.95 116.67 114.46 1cye s ASP 75 Ca 0.25 -0.85 0.00 0.00 -0.52 0.00 0.00 52.55 51.44 1cye s ASP 75 Cb 0.19 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 39.19 1cye s ASP 75 CO 0.47 -1.56 0.00 0.61 0.52 0.00 0.00 175.17 175.22 1cye n GLY 76 N 5.35 0.00 0.31 2.66 0.00 -1.26 -0.56 105.19 111.69 1cye n GLY 76 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 0.93 -0.00 4.61 0.00 -1.93 -3.14 119.26 119.74 1cye h ALA 77 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1cye h ALA 77 Cb 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1cye h ALA 77 CO 0.00 0.54 -0.20 -1.33 0.00 0.00 0.00 179.25 178.26 1cye n MET 78 N -4.37 0.46 -0.24 0.00 2.81 0.22 -4.72 117.12 111.28 1cye n MET 78 Ca 0.06 -0.19 -0.06 0.00 -1.81 0.00 0.00 57.70 55.70 1cye n MET 78 Cb 0.16 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.12 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 -1.11 -0.60 -0.40 7.83 2.88 0.28 -2.49 113.62 120.01 1cye n SER 79 Ca 0.11 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1cye n SER 79 Cb 0.31 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 -3.32 2.32 -2.64 -1.46 0.00 -1.26 -3.89 120.51 110.25 1cye n ALA 80 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 1cye n ALA 80 Cb 0.15 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.19 4.08 0.18 0.00 1.43 -1.04 -4.99 118.68 118.15 1cye s LEU 81 Ca 0.00 1.04 -0.33 0.00 -1.03 0.00 0.00 54.13 53.81 1cye s LEU 81 Cb 0.00 -3.19 -0.15 0.00 0.03 0.00 0.00 46.19 42.88 1cye s LEU 81 CO 0.00 -0.51 1.37 -0.81 0.23 0.00 0.00 176.35 176.63 1cye n PRO 82 N 5.98 1.69 -4.07 1.29 -0.04 -1.26 -4.81 135.00 133.79 1cye n PRO 82 Ca 0.06 0.61 -0.33 0.00 -0.04 0.00 0.00 63.50 63.79 1cye n PRO 82 Cb 0.48 -2.24 -0.15 0.00 -0.04 0.00 0.00 33.50 31.54 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 0.19 2.27 -0.40 0.52 1.01 -1.26 -0.95 120.40 121.78 1cye s VAL 83 Ca 0.74 -1.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 1cye s VAL 83 Cb -0.76 -2.13 0.07 0.00 0.00 0.00 0.00 36.38 33.57 1cye s VAL 83 CO 0.47 0.27 0.23 -0.22 0.00 0.00 0.00 175.10 175.86 1cye s LEU 84 N 1.23 5.01 0.20 3.92 2.96 0.05 -1.21 118.68 130.85 1cye s LEU 84 Ca -0.01 -1.46 -0.30 0.00 -0.22 0.00 0.00 54.13 52.15 1cye s LEU 84 Cb -0.16 -1.96 -0.08 0.00 0.50 0.00 0.00 46.19 44.49 1cye s LEU 84 CO -0.08 -0.50 0.97 -0.04 -1.32 0.00 0.00 176.35 175.37 1cye s MET 85 N 1.41 4.78 -0.37 1.98 -1.94 -0.00 -0.80 119.30 124.35 1cye s MET 85 Ca 0.03 1.51 -0.04 0.00 -1.71 0.00 0.00 55.69 55.48 1cye s MET 85 Cb -0.22 -3.30 0.08 0.00 2.01 0.00 0.00 34.83 33.40 1cye s MET 85 CO 0.02 0.38 0.14 0.08 -0.01 0.00 0.00 175.02 175.63 1cye s VAL 86 N -0.78 3.37 0.11 -6.03 1.01 0.66 0.02 120.40 118.76 1cye s VAL 86 Ca 0.43 -1.67 0.03 0.00 0.00 0.00 0.00 61.98 60.76 1cye s VAL 86 Cb -0.26 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1cye s VAL 86 CO 0.32 -0.44 0.19 0.42 0.00 0.00 0.00 175.10 175.59 1cye s THR 87 N 1.24 4.98 0.22 3.92 -4.23 0.13 0.03 115.64 121.93 1cye s THR 87 Ca 0.03 -0.71 -0.08 0.00 -1.18 0.00 0.00 61.69 59.75 1cye s THR 87 Cb -0.22 -3.49 0.17 0.00 1.34 0.00 0.00 72.50 70.31 1cye s THR 87 CO -0.02 0.01 1.81 0.00 -0.54 0.00 0.00 174.62 175.88 1cye h ALA 88 N 2.70 1.08 -2.00 3.99 0.00 -1.90 -0.90 119.26 122.22 1cye h ALA 88 Ca -0.47 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.21 1cye h ALA 88 Cb 1.18 -0.33 -0.19 0.00 0.00 0.00 0.00 17.79 18.45 1cye h ALA 88 CO 0.69 0.66 0.18 -1.21 0.00 0.00 0.00 179.25 179.56 1cye s GLU 89 N -5.66 1.02 -0.85 0.00 0.41 -1.26 -4.52 118.70 107.85 1cye s GLU 89 Ca -0.12 0.38 -0.23 0.00 -0.41 0.00 0.00 54.97 54.59 1cye s GLU 89 Cb 0.16 0.48 0.07 0.00 -1.78 0.00 0.00 34.13 33.07 1cye s GLU 89 CO 0.84 -0.29 1.21 0.00 -0.49 0.00 0.00 175.26 176.52 1cye s ALA 90 N -0.93 2.99 -0.08 5.21 0.00 -1.26 -4.95 121.76 122.74 1cye s ALA 90 Ca -0.09 -2.09 0.03 0.00 0.00 0.00 0.00 51.96 49.80 1cye s ALA 90 Cb -0.01 -4.18 0.01 0.00 0.00 0.00 0.00 23.12 18.94 1cye s ALA 90 CO 0.09 -3.17 -0.17 0.21 0.00 0.00 0.00 175.76 172.71 1cye s LYS 91 N 4.33 2.19 0.04 0.00 2.20 -1.26 -5.05 119.74 122.20 1cye s LYS 91 Ca 0.34 -0.60 -0.08 0.00 -0.36 0.00 0.00 55.97 55.27 1cye s LYS 91 Cb -0.07 -1.74 -0.02 0.00 -1.51 0.00 0.00 37.83 34.49 1cye s LYS 91 CO 0.01 0.10 0.44 1.17 -0.36 0.00 0.00 175.35 176.70 1cye n LYS 92 N 3.66 -0.12 -0.15 4.03 4.81 -1.26 -0.72 118.16 128.41 1cye n LYS 92 Ca -0.21 0.43 -0.05 0.00 -0.87 0.00 0.00 58.31 57.61 1cye n LYS 92 Cb 0.52 -0.64 0.04 0.00 0.02 0.00 0.00 35.03 34.98 1cye n LYS 92 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1cye h GLU 93 N 0.00 0.44 -0.34 1.64 3.07 -1.99 -0.09 114.58 117.31 1cye h GLU 93 Ca 0.04 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.75 1cye h GLU 93 Cb 0.11 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1cye h GLU 93 CO -0.25 0.29 -0.31 -2.95 -1.40 0.00 0.00 179.01 174.40 1cye h ASN 94 N 0.45 0.76 -0.03 1.42 7.08 -1.31 -1.57 115.58 122.39 1cye h ASN 94 Ca 0.21 -0.31 0.01 0.00 -3.08 0.00 0.00 56.30 53.13 1cye h ASN 94 Cb 0.13 -0.21 -0.01 0.00 -2.08 0.00 0.00 38.32 36.15 1cye h ASN 94 CO -0.16 1.02 -0.01 0.40 -2.08 0.00 0.00 177.43 176.60 1cye h ILE 95 N 0.63 0.97 0.22 6.14 2.04 -0.78 -0.34 117.51 126.38 1cye h ILE 95 Ca 0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.94 1cye h ILE 95 Cb 0.83 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 1cye h ILE 95 CO 0.07 0.00 -0.30 0.40 0.00 0.00 0.00 178.15 178.32 1cye h ILE 96 N -0.00 0.36 -0.46 -0.67 1.08 -0.84 -0.36 117.51 116.62 1cye h ILE 96 Ca 0.01 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.58 1cye h ILE 96 Cb 0.02 0.36 -0.08 0.00 -3.07 0.00 0.00 36.82 34.05 1cye h ILE 96 CO -0.03 0.00 -0.06 0.00 -0.69 0.00 0.00 178.15 177.37 1cye h ALA 97 N 0.03 0.38 0.74 1.87 0.00 -1.06 0.01 119.26 121.22 1cye h ALA 97 Ca 0.01 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1cye h ALA 97 Cb 0.57 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.66 1cye h ALA 97 CO -0.11 -0.42 -0.36 0.00 0.00 0.00 0.00 179.25 178.36 1cye h ALA 98 N 1.44 -1.00 -0.02 0.00 0.00 -0.75 -1.41 119.26 117.53 1cye h ALA 98 Ca 0.23 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1cye h ALA 98 Cb 0.35 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1cye h ALA 98 CO -0.43 -1.06 -0.08 0.00 0.00 0.00 0.00 179.25 177.68 1cye h ALA 99 N -0.72 -0.07 -0.02 0.00 0.00 -0.72 -0.67 119.26 117.06 1cye h ALA 99 Ca -0.10 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1cye h ALA 99 Cb 0.76 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1cye h ALA 99 CO 0.17 -0.56 -0.10 1.96 0.00 0.00 0.00 179.25 180.71 1cye h GLN 100 N -0.13 0.03 0.00 0.00 7.50 -0.99 -1.69 115.11 119.83 1cye h GLN 100 Ca 0.04 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.18 1cye h GLN 100 Cb 0.17 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.70 1cye h GLN 100 CO -0.09 0.13 -0.07 0.00 -1.50 0.00 0.00 178.83 177.29 1cye n ALA 101 N -2.52 2.40 0.00 3.87 0.00 -0.53 -4.94 120.51 118.79 1cye n ALA 101 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1cye n ALA 101 Cb 0.18 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 1.38 1.11 3.61 0.00 0.00 -0.64 -4.67 105.19 105.98 1cye n GLY 102 Ca 0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.63 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 1.48 0.25 4.61 0.00 -0.30 -4.74 120.51 121.82 1cye n ALA 103 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.52 1cye n ALA 103 Cb 0.00 -2.74 0.68 0.00 0.00 0.00 0.00 19.45 17.39 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 12.66 0.00 -5.23 0.00 0.02 -1.49 -3.40 113.55 116.10 1cye h SER 104 Ca -0.42 0.00 0.36 0.00 -0.84 0.00 0.00 61.79 60.88 1cye h SER 104 Cb 1.26 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.64 1cye h SER 104 CO 0.96 0.12 0.95 -0.83 -1.14 0.00 0.00 176.83 176.89 1cye s GLY 105 N -4.18 -0.38 -0.03 -3.77 0.00 -1.06 -4.47 107.32 93.43 1cye s GLY 105 Ca -0.04 1.26 -0.03 0.00 0.00 0.00 0.00 44.72 45.91 1cye s GLY 105 CO 0.62 0.33 0.09 -2.52 0.00 0.00 0.00 173.10 171.62 1cye s TYR 106 N -2.12 -0.09 -0.08 1.90 -0.85 -1.26 -0.82 117.35 114.03 1cye s TYR 106 Ca 0.13 0.25 0.04 0.00 -0.52 0.00 0.00 57.07 56.98 1cye s TYR 106 Cb 0.04 -0.01 -0.00 0.00 0.38 0.00 0.00 41.96 42.37 1cye s TYR 106 CO -0.05 -0.07 -0.22 0.54 -1.52 0.00 0.00 175.55 174.23 1cye s VAL 107 N 0.30 1.90 0.16 -3.49 0.11 0.10 -4.94 120.40 114.55 1cye s VAL 107 Ca -0.02 -0.95 -0.25 0.00 -2.93 0.00 0.00 61.98 57.83 1cye s VAL 107 Cb -0.03 -1.64 -0.08 0.00 -1.53 0.00 0.00 36.38 33.10 1cye s VAL 107 CO -0.01 0.53 0.78 -0.69 -3.33 0.00 0.00 175.10 172.38 1cye s VAL 108 N 0.21 4.38 0.08 2.04 1.01 -1.26 -0.69 120.40 126.17 1cye s VAL 108 Ca -0.13 1.72 -0.19 0.00 0.00 0.00 0.00 61.98 63.37 1cye s VAL 108 Cb -0.16 -4.15 -0.07 0.00 0.00 0.00 0.00 36.38 32.01 1cye s VAL 108 CO 0.06 0.51 0.58 -1.59 0.00 0.00 0.00 175.10 174.66 1cye s LYS 109 N -1.08 4.20 0.06 2.72 -2.85 -0.34 -3.14 119.74 119.31 1cye s LYS 109 Ca 0.36 0.74 -0.24 0.00 -1.00 0.00 0.00 55.97 55.83 1cye s LYS 109 Cb -0.23 -3.21 -0.06 0.00 -2.06 0.00 0.00 37.83 32.27 1cye s LYS 109 CO 0.26 0.62 0.73 -2.14 0.10 0.00 0.00 175.35 174.92 1cye s PRO 110 N -1.19 4.46 0.18 1.78 0.02 -1.26 -4.89 135.00 134.11 1cye s PRO 110 Ca 0.30 1.00 0.08 0.00 0.02 0.00 0.00 61.00 62.41 1cye s PRO 110 Cb -0.19 -3.33 -0.04 0.00 0.02 0.00 0.00 34.50 30.95 1cye s PRO 110 CO 0.19 0.37 -0.07 -0.59 -0.33 0.00 0.00 177.00 176.57 1cye s PHE 111 N -0.33 2.69 0.54 6.54 -0.71 -1.19 -5.15 117.98 120.37 1cye s PHE 111 Ca 0.36 -0.20 0.05 0.00 -1.04 0.00 0.00 56.93 56.11 1cye s PHE 111 Cb -0.20 -1.31 0.03 0.00 -1.21 0.00 0.00 43.02 40.33 1cye s PHE 111 CO 0.22 0.52 0.38 -0.08 -1.34 0.00 0.00 175.22 174.92 1cye s THR 112 N -1.74 1.66 0.25 -4.49 -1.32 -1.26 -4.94 115.64 103.80 1cye s THR 112 Ca 0.26 -1.51 -0.04 0.00 -1.21 0.00 0.00 61.69 59.19 1cye s THR 112 Cb -0.09 -2.18 0.22 0.00 -1.51 0.00 0.00 72.50 68.95 1cye s THR 112 CO 0.16 0.00 1.73 0.00 -2.21 0.00 0.00 174.62 174.30 1cye h ALA 113 N 0.79 1.09 0.16 11.08 0.00 -1.98 -0.24 119.26 130.16 1cye h ALA 113 Ca -0.37 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1cye h ALA 113 Cb 1.30 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1cye h ALA 113 CO 0.58 -0.21 -0.08 0.00 0.00 0.00 0.00 179.25 179.54 1cye h ALA 114 N 1.56 -0.22 -0.37 0.00 0.00 -1.99 0.75 119.26 118.98 1cye h ALA 114 Ca 0.42 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.30 1cye h ALA 114 Cb 0.65 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1cye h ALA 114 CO -0.41 -0.59 0.16 1.15 0.00 0.00 0.00 179.25 179.56 1cye h THR 115 N -0.28 0.93 0.13 0.00 2.02 -1.74 -0.08 112.91 113.88 1cye h THR 115 Ca -0.02 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.06 1cye h THR 115 Cb 0.22 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1cye h THR 115 CO 0.04 0.06 -0.21 0.25 0.37 0.00 0.00 175.52 176.03 1cye h LEU 116 N 0.33 -0.57 -0.50 2.58 5.85 -0.83 -2.18 115.31 119.99 1cye h LEU 116 Ca 0.16 0.06 0.08 0.00 0.84 0.00 0.00 57.88 59.03 1cye h LEU 116 Cb 0.11 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 1cye h LEU 116 CO -0.14 -0.29 0.12 -0.08 -0.34 0.00 0.00 178.44 177.71 1cye h GLU 117 N -0.40 0.26 -0.21 1.25 4.57 -0.18 -1.39 114.58 118.47 1cye h GLU 117 Ca 0.02 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 1cye h GLU 117 Cb 0.41 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.90 1cye h GLU 117 CO -0.10 0.17 -0.07 0.93 -1.18 0.00 0.00 179.01 178.76 1cye h GLU 118 N 0.27 -0.02 -0.58 1.92 3.07 -0.53 -2.85 114.58 115.85 1cye h GLU 118 Ca 0.25 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.09 1cye h GLU 118 Cb 0.32 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 1cye h GLU 118 CO -0.31 -0.02 0.27 0.87 -1.40 0.00 0.00 179.01 178.43 1cye h LYS 119 N -0.03 0.84 -0.60 2.33 6.56 -0.78 -2.93 116.57 121.97 1cye h LYS 119 Ca 0.11 -0.13 0.10 0.00 -1.06 0.00 0.00 60.65 59.67 1cye h LYS 119 Cb 0.19 -0.15 -0.08 0.00 -0.57 0.00 0.00 32.23 31.62 1cye h LYS 119 CO -0.23 0.69 0.18 -0.07 -2.06 0.00 0.00 179.45 177.96 1cye h LEU 120 N 0.79 0.12 -0.10 2.94 3.38 -1.06 -2.18 115.31 119.20 1cye h LEU 120 Ca 0.20 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.30 1cye h LEU 120 Cb 0.13 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1cye h LEU 120 CO -0.02 0.07 -0.13 0.78 0.09 0.00 0.00 178.44 179.22 1cye h ASN 121 N 0.33 -0.41 -0.73 -0.43 2.35 -1.32 -2.24 115.58 113.14 1cye h ASN 121 Ca 0.31 0.08 0.07 0.00 -0.55 0.00 0.00 56.30 56.20 1cye h ASN 121 Cb 0.43 0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.93 1cye h ASN 121 CO -0.35 -0.18 0.42 0.50 -1.65 0.00 0.00 177.43 176.17 1cye h LYS 122 N -0.17 0.73 0.26 0.81 3.64 -1.42 -1.87 116.57 118.55 1cye h LYS 122 Ca 0.08 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1cye h LYS 122 Cb 0.29 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1cye h LYS 122 CO -0.20 0.48 -0.19 0.82 -2.27 0.00 0.00 179.45 178.09 1cye h ILE 123 N 0.75 0.59 -1.00 2.00 2.04 -0.93 -1.64 117.51 119.33 1cye h ILE 123 Ca 0.33 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.27 1cye h ILE 123 Cb 0.22 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 1cye h ILE 123 CO -0.19 0.00 0.64 -0.26 0.00 0.00 0.00 178.15 178.34 1cye h PHE 124 N -0.45 1.18 0.27 1.37 0.04 -0.95 -1.22 116.94 117.17 1cye h PHE 124 Ca -0.02 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1cye h PHE 124 Cb 0.39 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1cye h PHE 124 CO -0.11 0.57 -0.13 1.49 -0.60 0.00 0.00 178.31 179.52 1cye h GLU 125 N 1.11 -0.35 -0.90 1.51 4.81 -1.00 -2.89 114.58 116.87 1cye h GLU 125 Ca 0.45 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.76 1cye h GLU 125 Cb 0.27 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.67 1cye h GLU 125 CO -0.20 -0.18 0.57 0.87 -0.73 0.00 0.00 179.01 179.34 1cye h LYS 126 N -0.43 1.03 0.00 1.92 1.57 -0.67 -1.58 116.57 118.41 1cye h LYS 126 Ca -0.04 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1cye h LYS 126 Cb 0.33 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1cye h LYS 126 CO 0.06 0.68 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.54 1cye h LEU 127 N 1.06 0.00 -0.64 2.94 4.07 -1.09 -3.47 115.31 118.19 1cye h LEU 127 Ca 0.38 0.00 -0.36 0.00 0.08 0.00 0.00 57.88 57.98 1cye h LEU 127 Cb 0.12 0.00 0.12 0.00 1.08 0.00 0.00 40.66 41.98 1cye h LEU 127 CO -0.16 0.01 -0.61 0.61 -1.08 0.00 0.00 178.44 177.22 1cye n GLY 128 N -1.11 -0.41 0.00 0.83 0.00 -0.60 -5.09 105.19 98.81 1cye n GLY 128 Ca -0.03 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1cye n GLY 128 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47