#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 6.87 -0.42 6.15 1.04 -1.26 -4.96 113.70 121.12 1cye s SER 2 Ca 0.00 -2.50 -0.27 0.00 0.48 0.00 0.00 55.95 53.66 1cye s SER 2 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 1cye s SER 2 CO 0.00 -1.08 2.02 -0.62 0.98 0.00 0.00 173.24 174.54 1cye s ASP 3 N 3.90 5.33 0.31 7.02 -1.08 -1.26 -4.89 116.67 125.99 1cye s ASP 3 Ca 0.50 1.11 0.06 0.00 -0.52 0.00 0.00 52.55 53.70 1cye s ASP 3 Cb 0.02 -2.52 0.75 0.00 -1.46 0.00 0.00 42.92 39.70 1cye s ASP 3 CO 0.04 -2.18 1.78 0.11 0.52 0.00 0.00 175.17 175.43 1cye h LYS 4 N 15.27 0.74 -1.43 4.34 1.79 -1.93 -2.15 116.57 133.20 1cye h LYS 4 Ca -0.31 -0.04 -0.68 0.00 -2.18 0.00 0.00 60.65 57.43 1cye h LYS 4 Cb 1.20 -0.17 -0.32 0.00 -1.58 0.00 0.00 32.23 31.36 1cye h LYS 4 CO 1.09 0.49 0.48 0.39 -1.08 0.00 0.00 179.45 180.82 1cye n GLU 5 N -4.76 2.95 -2.82 3.15 -0.58 -1.26 -3.50 120.64 113.82 1cye n GLU 5 Ca 0.23 -3.68 -0.42 0.00 -0.42 0.00 0.00 57.16 52.88 1cye n GLU 5 Cb 0.58 -2.27 -0.04 0.00 -0.57 0.00 0.00 31.44 29.14 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 -3.85 4.16 -0.31 -4.62 2.96 -0.81 -4.83 118.68 111.38 1cye s LEU 6 Ca 0.56 1.24 -0.29 0.00 -0.22 0.00 0.00 54.13 55.42 1cye s LEU 6 Cb 0.45 -3.32 0.01 0.00 0.50 0.00 0.00 46.19 43.83 1cye s LEU 6 CO -0.19 -0.47 1.17 -0.75 -1.32 0.00 0.00 176.35 174.79 1cye s LYS 7 N 2.40 4.01 -0.11 1.98 2.20 -1.25 -4.10 119.74 124.87 1cye s LYS 7 Ca 0.40 1.15 -0.03 0.00 -0.36 0.00 0.00 55.97 57.13 1cye s LYS 7 Cb -0.16 -3.80 -0.03 0.00 -1.51 0.00 0.00 37.83 32.33 1cye s LYS 7 CO 0.11 -0.99 0.03 -0.06 -0.36 0.00 0.00 175.35 174.08 1cye s PHE 8 N 3.93 3.22 -0.39 4.03 0.40 0.16 -1.17 117.98 128.16 1cye s PHE 8 Ca 0.50 0.19 0.00 0.00 -0.60 0.00 0.00 56.93 57.02 1cye s PHE 8 Cb -0.14 -1.85 0.11 0.00 0.51 0.00 0.00 43.02 41.64 1cye s PHE 8 CO 0.19 0.44 0.15 -1.17 0.70 0.00 0.00 175.22 175.52 1cye s LEU 9 N -0.68 5.03 -0.62 -0.37 1.98 -0.69 -0.18 118.68 123.15 1cye s LEU 9 Ca 0.11 -2.13 -0.28 0.00 -2.89 0.00 0.00 54.13 48.94 1cye s LEU 9 Cb -0.12 -1.74 0.03 0.00 0.66 0.00 0.00 46.19 45.02 1cye s LEU 9 CO 0.02 -0.46 1.24 -0.69 -1.89 0.00 0.00 176.35 174.57 1cye s VAL 10 N 0.98 3.91 -0.46 1.68 1.01 -0.10 -1.76 120.40 125.65 1cye s VAL 10 Ca 0.10 0.75 -0.11 0.00 0.00 0.00 0.00 61.98 62.72 1cye s VAL 10 Cb -0.21 -4.76 0.10 0.00 0.00 0.00 0.00 36.38 31.51 1cye s VAL 10 CO -0.06 -1.47 0.34 -0.69 0.00 0.00 0.00 175.10 173.22 1cye s VAL 11 N 5.27 4.50 -0.09 2.92 1.01 0.56 -0.60 120.40 133.97 1cye s VAL 11 Ca 0.42 -1.50 -0.06 0.00 0.00 0.00 0.00 61.98 60.83 1cye s VAL 11 Cb -0.08 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.50 1cye s VAL 11 CO 0.23 -0.66 0.21 -0.62 0.00 0.00 0.00 175.10 174.26 1cye s ASP 12 N 2.58 -0.22 0.42 3.32 -1.08 -0.37 -0.92 116.67 120.41 1cye s ASP 12 Ca 0.04 0.44 0.29 0.00 -0.52 0.00 0.00 52.55 52.81 1cye s ASP 12 Cb -0.25 0.39 1.38 0.00 -1.46 0.00 0.00 42.92 42.97 1cye s ASP 12 CO 0.02 -0.12 1.89 -2.24 0.52 0.00 0.00 175.17 175.24 1cye h ASP 13 N 6.51 0.00 -3.62 -0.34 2.03 -1.60 -3.39 116.42 116.01 1cye h ASP 13 Ca -0.33 0.00 -0.70 0.00 -0.73 0.00 0.00 57.03 55.27 1cye h ASP 13 Cb 1.17 0.00 -0.26 0.00 -0.83 0.00 0.00 39.33 39.41 1cye h ASP 13 CO 0.38 0.00 -0.55 0.12 -1.03 0.00 0.00 179.24 178.16 1cye s PHE 14 N -3.60 3.24 0.22 4.15 5.36 -1.26 -5.00 117.98 121.08 1cye s PHE 14 Ca 0.00 -1.14 -0.12 0.00 -0.96 0.00 0.00 56.93 54.71 1cye s PHE 14 Cb 0.09 -2.37 0.28 0.00 -0.34 0.00 0.00 43.02 40.68 1cye s PHE 14 CO 0.39 -0.67 1.63 0.66 -1.46 0.00 0.00 175.22 175.76 1cye h SER 15 N 8.34 -0.56 -0.87 6.13 4.64 -1.98 -1.15 113.55 128.10 1cye h SER 15 Ca -0.25 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1cye h SER 15 Cb 1.10 0.39 -0.04 0.00 -0.31 0.00 0.00 62.40 63.54 1cye h SER 15 CO 0.64 -0.21 0.55 0.71 -0.87 0.00 0.00 176.83 177.65 1cye h THR 16 N 0.02 1.23 -0.78 2.95 1.35 -1.94 -2.23 112.91 113.51 1cye h THR 16 Ca 0.33 -0.48 -0.03 0.00 -0.55 0.00 0.00 66.41 65.68 1cye h THR 16 Cb 0.51 -0.02 -0.04 0.00 -1.73 0.00 0.00 68.15 66.88 1cye h THR 16 CO -0.67 0.24 0.38 -0.03 -0.25 0.00 0.00 175.52 175.19 1cye h MET 17 N 1.20 1.12 -0.36 4.72 -1.53 -1.60 -2.65 114.93 115.83 1cye h MET 17 Ca 0.32 -0.16 0.05 0.00 -3.44 0.00 0.00 59.70 56.47 1cye h MET 17 Cb -0.09 -0.21 -0.04 0.00 -0.55 0.00 0.00 31.60 30.72 1cye h MET 17 CO -0.06 0.86 0.10 0.00 0.14 0.00 0.00 176.91 177.95 1cye h ARG 18 N 1.11 0.23 -0.88 0.39 3.08 -1.01 -2.17 114.38 115.13 1cye h ARG 18 Ca 0.27 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.40 1cye h ARG 18 Cb 0.11 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.03 1cye h ARG 18 CO -0.03 0.15 0.53 -0.09 -1.07 0.00 0.00 179.97 179.46 1cye h ARG 19 N 0.24 0.87 -0.03 0.04 9.65 -1.40 -1.52 114.38 122.23 1cye h ARG 19 Ca 0.16 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 59.01 1cye h ARG 19 Cb 0.16 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 1cye h ARG 19 CO -0.19 0.57 -0.08 0.82 2.80 0.00 0.00 179.97 183.90 1cye h ILE 20 N 0.89 0.80 -0.78 1.20 2.04 -1.17 -1.87 117.51 118.62 1cye h ILE 20 Ca 0.42 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.31 1cye h ILE 20 Cb 0.34 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 1cye h ILE 20 CO -0.23 0.00 0.49 0.58 0.00 0.00 0.00 178.15 178.99 1cye h VAL 21 N -0.12 1.11 -0.02 1.67 2.07 -1.07 -1.32 116.25 118.57 1cye h VAL 21 Ca 0.04 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1cye h VAL 21 Cb 0.17 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 29.96 1cye h VAL 21 CO -0.10 0.17 -0.26 -0.09 0.02 0.00 0.00 177.57 177.32 1cye h ARG 22 N 0.96 -0.38 -0.99 1.57 2.43 -0.91 0.02 114.38 117.08 1cye h ARG 22 Ca 0.31 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.54 1cye h ARG 22 Cb 0.02 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.60 1cye h ARG 22 CO -0.12 -0.25 0.65 -0.91 -1.51 0.00 0.00 179.97 177.83 1cye h ASN 23 N -0.39 1.09 0.34 -3.80 2.35 -0.67 -0.48 115.58 114.02 1cye h ASN 23 Ca 0.07 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 1cye h ASN 23 Cb 0.49 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1cye h ASN 23 CO -0.24 0.75 -0.17 -0.07 -1.65 0.00 0.00 177.43 176.05 1cye h LEU 24 N 1.26 -0.39 -0.68 1.61 3.38 -0.64 -0.93 115.31 118.92 1cye h LEU 24 Ca 0.39 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.38 1cye h LEU 24 Cb -0.01 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 1cye h LEU 24 CO -0.12 -0.18 0.34 -0.07 0.09 0.00 0.00 178.44 178.50 1cye h LEU 25 N -0.59 0.44 -0.24 1.67 3.38 -0.65 -2.07 115.31 117.24 1cye h LEU 25 Ca -0.05 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1cye h LEU 25 Cb 0.43 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1cye h LEU 25 CO 0.08 0.26 0.02 0.50 0.09 0.00 0.00 178.44 179.39 1cye h LYS 26 N 0.58 0.10 -0.88 1.13 3.64 -0.76 -0.37 116.57 120.02 1cye h LYS 26 Ca 0.33 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.80 1cye h LYS 26 Cb 0.34 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 1cye h LYS 26 CO -0.26 0.07 0.57 0.93 -2.27 0.00 0.00 179.45 178.49 1cye h GLU 27 N 0.11 0.87 0.00 1.90 5.08 -0.51 -0.27 114.58 121.76 1cye h GLU 27 Ca 0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1cye h GLU 27 Cb 0.13 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1cye h GLU 27 CO -0.17 0.58 0.00 -0.07 -1.00 0.00 0.00 179.01 178.35 1cye h LEU 28 N 0.90 0.00 0.00 1.33 3.38 -0.79 -3.47 115.31 116.67 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 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1cye h LEU 28 CO -0.16 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.98 1cye n GLY 29 N 0.43 0.98 3.42 0.83 0.00 -0.11 -5.05 105.19 105.68 1cye n GLY 29 Ca 0.02 0.00 -0.45 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 3.47 -1.31 1.61 0.08 -0.23 -4.57 117.98 115.03 1cye s PHE 30 Ca 0.00 -1.86 0.28 0.00 0.12 0.00 0.00 56.93 55.47 1cye s PHE 30 Cb 0.00 -4.16 1.00 0.00 -0.57 0.00 0.00 43.02 39.29 1cye s PHE 30 CO 0.00 -1.32 1.74 0.09 -0.10 0.00 0.00 175.22 175.63 1cye n ASN 31 N 5.41 0.40 -4.34 1.36 3.02 -1.23 -2.46 115.26 117.41 1cye n ASN 31 Ca 0.26 -0.24 -0.46 0.00 -0.03 0.00 0.00 54.58 54.11 1cye n ASN 31 Cb 0.46 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 1cye n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1cye s ASN 32 N -2.75 6.56 -0.03 6.41 3.84 -1.26 -4.97 114.94 122.74 1cye s ASN 32 Ca 0.20 -2.28 0.04 0.00 0.21 0.00 0.00 52.86 51.02 1cye s ASN 32 Cb 0.19 -2.24 -0.00 0.00 -0.55 0.00 0.00 41.25 38.65 1cye s ASN 32 CO 0.55 -0.75 -0.13 -0.69 -2.79 0.00 0.00 177.10 173.29 1cye s VAL 33 N 1.03 1.11 0.09 -5.21 1.01 -1.26 -0.67 120.40 116.50 1cye s VAL 33 Ca 0.15 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.66 1cye s VAL 33 Cb -0.16 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1cye s VAL 33 CO -0.05 0.33 -0.20 -0.70 0.00 0.00 0.00 175.10 174.48 1cye s GLU 34 N 0.04 1.07 0.00 2.72 -6.30 0.74 -4.95 118.70 112.03 1cye s GLU 34 Ca -0.02 -1.11 0.05 0.00 -2.50 0.00 0.00 54.97 51.39 1cye s GLU 34 Cb -0.09 -1.28 -0.01 0.00 0.00 0.00 0.00 34.13 32.74 1cye s GLU 34 CO 0.01 0.30 -0.16 -1.21 0.02 0.00 0.00 175.26 174.22 1cye s GLU 35 N -1.85 1.23 0.09 4.30 2.02 -1.26 -0.93 118.70 122.29 1cye s GLU 35 Ca 0.05 -0.62 0.05 0.00 0.02 0.00 0.00 54.97 54.46 1cye s GLU 35 Cb -0.10 -1.21 -0.03 0.00 0.10 0.00 0.00 34.13 32.89 1cye s GLU 35 CO 0.04 0.33 -0.12 0.00 0.02 0.00 0.00 175.26 175.52 1cye s ALA 36 N -0.48 1.17 -0.16 5.21 0.00 0.23 -4.95 121.76 122.78 1cye s ALA 36 Ca 0.05 -1.09 0.19 0.00 0.00 0.00 0.00 51.96 51.11 1cye s ALA 36 Cb -0.07 -0.05 -0.27 0.00 0.00 0.00 0.00 23.12 22.74 1cye s ALA 36 CO -0.00 0.08 0.16 -0.85 0.00 0.00 0.00 175.76 175.15 1cye n GLU 37 N 0.94 0.69 -4.10 0.00 -0.00 -1.26 -1.23 120.64 115.68 1cye n GLU 37 Ca -0.19 -0.05 -0.10 0.00 -0.00 0.00 0.00 57.16 56.82 1cye n GLU 37 Cb 0.56 -1.52 -0.09 0.00 -0.00 0.00 0.00 31.44 30.39 1cye n GLU 37 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 1cye s ASP 38 N -5.26 0.18 0.24 -1.84 1.47 -1.26 -2.13 116.67 108.07 1cye s ASP 38 Ca -0.10 -1.14 -0.10 0.00 1.18 0.00 0.00 52.55 52.39 1cye s ASP 38 Cb 0.08 0.37 0.36 0.00 -0.34 0.00 0.00 42.92 43.39 1cye s ASP 38 CO 0.85 -0.82 1.61 1.23 0.68 0.00 0.00 175.17 178.72 1cye h GLY 39 N 2.69 0.65 0.88 2.12 0.00 -1.58 -1.03 103.07 106.81 1cye h GLY 39 Ca -0.34 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1cye h GLY 39 CO 0.53 -0.30 -0.34 -2.08 0.00 0.00 0.00 176.54 174.36 1cye h VAL 40 N 0.03 0.31 -0.76 4.60 2.07 -1.88 -1.42 116.25 119.21 1cye h VAL 40 Ca 0.39 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.02 1cye h VAL 40 Cb 0.63 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1cye h VAL 40 CO -0.76 0.00 0.50 -0.78 0.02 0.00 0.00 177.57 176.55 1cye h ASP 41 N -0.85 0.52 0.11 0.57 3.58 -1.81 -1.39 116.42 117.14 1cye h ASP 41 Ca -0.07 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.40 1cye h ASP 41 Cb 0.69 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1cye h ASP 41 CO 0.08 0.29 -0.05 0.00 -2.88 0.00 0.00 179.24 176.68 1cye h ALA 42 N 1.63 -0.15 -0.58 -0.78 0.00 -0.70 -1.78 119.26 116.91 1cye h ALA 42 Ca 0.36 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.19 1cye h ALA 42 Cb 0.62 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1cye h ALA 42 CO -0.13 -0.43 0.23 -0.07 0.00 0.00 0.00 179.25 178.85 1cye h LEU 43 N -0.45 0.26 0.08 0.00 3.38 -0.21 0.23 115.31 118.61 1cye h LEU 43 Ca -0.01 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1cye h LEU 43 Cb 0.37 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1cye h LEU 43 CO 0.02 0.17 -0.26 0.78 0.09 0.00 0.00 178.44 179.24 1cye h ASN 44 N 0.43 -0.75 -0.41 -0.43 4.21 -1.33 -2.87 115.58 114.42 1cye h ASN 44 Ca 0.28 0.09 -0.02 0.00 1.21 0.00 0.00 56.30 57.87 1cye h ASN 44 Cb 0.31 0.29 -0.02 0.00 -1.12 0.00 0.00 38.32 37.78 1cye h ASN 44 CO -0.26 -0.35 0.19 0.11 -1.29 0.00 0.00 177.43 175.83 1cye h LYS 45 N -0.45 0.60 -0.51 0.81 1.57 -0.66 -3.02 116.57 114.91 1cye h LYS 45 Ca 0.04 -0.09 0.15 0.00 -1.87 0.00 0.00 60.65 58.88 1cye h LYS 45 Cb 0.49 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1cye h LYS 45 CO -0.17 0.53 0.41 -0.07 -0.57 0.00 0.00 179.45 179.58 1cye h LEU 46 N 0.52 0.00 -2.31 2.94 3.38 -0.42 -2.28 115.31 117.14 1cye h LEU 46 Ca 0.14 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1cye h LEU 46 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1cye h LEU 46 CO -0.02 0.00 0.13 1.56 0.09 0.00 0.00 178.44 180.21 1cye h GLN 47 N 0.00 0.00 0.00 1.13 1.08 -1.37 -2.07 115.11 113.88 1cye h GLN 47 Ca 0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 1cye h GLN 47 Cb 1.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 1cye h GLN 47 CO -0.00 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.88 1cye h ALA 48 N 1.85 1.00 -0.37 3.87 0.00 -1.62 -3.49 119.26 120.51 1cye h ALA 48 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1cye h ALA 48 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1cye h ALA 48 CO -0.00 0.00 -0.06 0.41 0.00 0.00 0.00 179.25 179.60 1cye n GLY 49 N -0.86 -2.22 3.31 0.00 0.00 -0.78 -4.96 105.19 99.68 1cye n GLY 49 Ca -0.02 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.35 2.46 3.62 -0.02 0.00 -1.26 -4.96 105.19 103.68 1cye n GLY 50 Ca 0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.48 1.24 -0.79 1.61 2.02 -1.26 -4.31 117.35 115.38 1cye s TYR 51 Ca 0.00 0.23 0.16 0.00 -0.37 0.00 0.00 57.07 57.09 1cye s TYR 51 Cb 0.00 -4.03 0.58 0.00 -0.40 0.00 0.00 41.96 38.11 1cye s TYR 51 CO 0.00 -4.48 1.50 0.41 -1.57 0.00 0.00 175.55 171.41 1cye n GLY 52 N 5.34 3.11 3.64 0.71 0.00 -0.32 -4.96 105.19 112.72 1cye n GLY 52 Ca 0.26 -0.80 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.96 -0.41 -0.17 1.61 2.19 -1.11 -4.43 117.98 113.71 1cye s PHE 53 Ca 0.43 0.89 0.01 0.00 0.33 0.00 0.00 56.93 58.59 1cye s PHE 53 Cb 0.29 0.33 0.02 0.00 -1.31 0.00 0.00 43.02 42.35 1cye s PHE 53 CO 0.18 -0.20 -0.20 0.08 1.83 0.00 0.00 175.22 176.91 1cye s VAL 54 N 0.81 2.03 -0.44 3.12 1.01 0.28 -1.70 120.40 125.51 1cye s VAL 54 Ca -0.03 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1cye s VAL 54 Cb -0.04 -1.82 0.12 0.00 0.00 0.00 0.00 36.38 34.64 1cye s VAL 54 CO -0.12 0.54 0.25 -0.63 0.00 0.00 0.00 175.10 175.13 1cye s ILE 55 N 1.16 3.44 -0.20 2.22 1.01 -0.73 -0.53 121.20 127.58 1cye s ILE 55 Ca 0.01 -2.12 -0.02 0.00 0.00 0.00 0.00 60.65 58.52 1cye s ILE 55 Cb -0.14 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 1cye s ILE 55 CO -0.10 -0.72 -0.08 -0.55 0.00 0.00 0.00 174.94 173.49 1cye s SER 56 N 1.80 4.08 0.05 3.58 0.15 0.14 -0.32 113.70 123.19 1cye s SER 56 Ca 0.09 -0.41 -0.31 0.00 0.70 0.00 0.00 55.95 56.02 1cye s SER 56 Cb -0.23 -1.68 -0.07 0.00 -1.71 0.00 0.00 66.02 62.34 1cye s SER 56 CO -0.04 0.02 1.40 -0.62 1.20 0.00 0.00 173.24 175.20 1cye s ASP 57 N 1.22 6.84 0.23 5.45 2.15 -0.09 -0.40 116.67 132.07 1cye s ASP 57 Ca 0.02 2.20 -0.06 0.00 0.43 0.00 0.00 52.55 55.15 1cye s ASP 57 Cb -0.14 -2.57 0.40 0.00 -0.30 0.00 0.00 42.92 40.30 1cye s ASP 57 CO -0.03 -0.69 1.73 -0.25 -0.17 0.00 0.00 175.17 175.76 1cye h TRP 58 N 7.42 0.43 -2.94 -5.34 2.91 -1.09 -3.13 115.95 114.21 1cye h TRP 58 Ca -0.40 0.04 -0.62 0.00 1.13 0.00 0.00 58.89 59.04 1cye h TRP 58 Cb 1.19 -0.09 -0.13 0.00 -0.51 0.00 0.00 29.16 29.63 1cye h TRP 58 CO 0.71 0.05 0.56 1.21 -1.03 0.00 0.00 178.44 179.94 1cye s ASN 59 N -5.35 6.26 -0.11 2.65 2.47 -1.26 -0.89 114.94 118.71 1cye s ASN 59 Ca -0.13 -0.64 -0.06 0.00 0.42 0.00 0.00 52.86 52.45 1cye s ASN 59 Cb 0.19 -2.43 0.04 0.00 -1.45 0.00 0.00 41.25 37.61 1cye s ASN 59 CO 0.76 -1.33 0.27 -0.04 -3.72 0.00 0.00 177.10 173.03 1cye s MET 60 N 4.03 0.24 0.56 0.43 -1.94 -1.26 -4.20 119.30 117.16 1cye s MET 60 Ca 0.27 0.54 -0.20 0.00 -1.71 0.00 0.00 55.69 54.59 1cye s MET 60 Cb -0.14 -0.07 -0.05 0.00 2.01 0.00 0.00 34.83 36.58 1cye s MET 60 CO 0.15 -0.14 1.18 -1.25 -0.01 0.00 0.00 175.02 174.95 1cye s PRO 61 N 1.12 3.21 0.00 2.03 0.04 -1.26 -3.08 135.00 137.06 1cye s PRO 61 Ca -0.08 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.72 1cye s PRO 61 Cb -0.09 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1cye s PRO 61 CO -0.08 -1.00 0.00 0.09 0.04 0.00 0.00 177.00 176.06 1cye n ASN 62 N -1.33 0.00 -4.02 6.66 4.13 -1.26 -4.37 115.26 115.08 1cye n ASN 62 Ca 0.12 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 56.07 1cye n ASN 62 Cb 0.50 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.59 1cye n ASN 62 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1cye s MET 63 N 0.00 1.51 1.09 3.52 1.75 -1.26 -5.04 119.30 120.86 1cye s MET 63 Ca 0.00 -1.90 -0.12 0.00 -1.25 0.00 0.00 55.69 52.42 1cye s MET 63 Cb 0.00 -3.22 0.24 0.00 2.84 0.00 0.00 34.83 34.69 1cye s MET 63 CO 0.00 -0.95 1.06 0.16 -0.65 0.00 0.00 175.02 174.64 1cye s ASP 64 N 0.89 1.54 0.16 1.11 1.47 -1.18 -1.90 116.67 118.76 1cye s ASP 64 Ca 0.11 1.71 -0.27 0.00 1.18 0.00 0.00 52.55 55.28 1cye s ASP 64 Cb -0.19 -2.38 0.01 0.00 -0.34 0.00 0.00 42.92 40.01 1cye s ASP 64 CO -0.08 -3.88 1.57 1.23 0.68 0.00 0.00 175.17 174.70 1cye h GLY 65 N -2.40 -0.53 1.10 2.12 0.00 -0.95 -0.92 103.07 101.49 1cye h GLY 65 Ca -0.56 0.54 0.04 0.00 0.00 0.00 0.00 47.33 47.35 1cye h GLY 65 CO 0.48 -0.18 0.51 -2.00 0.00 0.00 0.00 176.54 175.35 1cye h LEU 66 N -0.31 0.80 -0.50 3.11 5.85 -1.87 -1.77 115.31 120.62 1cye h LEU 66 Ca 0.14 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.72 1cye h LEU 66 Cb 0.58 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1cye h LEU 66 CO -0.58 0.54 -0.23 -0.33 -0.34 0.00 0.00 178.44 177.50 1cye h GLU 67 N 0.92 0.99 -0.78 1.25 5.08 -1.56 -2.80 114.58 117.68 1cye h GLU 67 Ca 0.31 -0.43 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1cye h GLU 67 Cb 0.08 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1cye h GLU 67 CO -0.09 1.10 0.50 1.25 -1.00 0.00 0.00 179.01 180.77 1cye h LEU 68 N 0.85 0.84 -0.49 1.33 5.85 -0.53 -1.88 115.31 121.28 1cye h LEU 68 Ca 0.11 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.90 1cye h LEU 68 Cb 0.81 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.58 1cye h LEU 68 CO 0.07 0.59 0.12 0.25 -0.34 0.00 0.00 178.44 179.13 1cye h LEU 69 N 0.99 0.05 -0.25 2.25 5.85 -1.19 -1.22 115.31 121.79 1cye h LEU 69 Ca 0.31 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 1cye h LEU 69 Cb -0.02 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1cye h LEU 69 CO -0.10 0.05 0.12 0.11 -0.34 0.00 0.00 178.44 178.28 1cye h LYS 70 N 0.26 0.36 -0.30 1.25 1.57 -1.16 -0.18 116.57 118.37 1cye h LYS 70 Ca 0.24 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1cye h LYS 70 Cb 0.31 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1cye h LYS 70 CO -0.30 0.36 0.20 1.79 -0.57 0.00 0.00 179.45 180.93 1cye h THR 71 N 0.27 1.02 0.16 -0.16 1.35 -0.73 0.17 112.91 114.98 1cye h THR 71 Ca 0.09 -0.11 -0.01 0.00 -0.55 0.00 0.00 66.41 65.83 1cye h THR 71 Cb 0.12 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 67.22 1cye h THR 71 CO -0.01 0.06 -0.07 0.40 -0.25 0.00 0.00 175.52 175.64 1cye h ILE 72 N 0.31 0.68 -0.56 6.82 2.04 -0.48 -3.10 117.51 123.23 1cye h ILE 72 Ca 0.12 -1.16 0.11 0.00 1.00 0.00 0.00 64.86 64.94 1cye h ILE 72 Cb 0.11 1.19 -0.09 0.00 -0.74 0.00 0.00 36.82 37.29 1cye h ILE 72 CO -0.03 0.19 0.03 0.03 0.00 0.00 0.00 178.15 178.38 1cye h ARG 73 N -0.94 0.15 0.00 2.37 2.47 -0.65 -1.02 114.38 116.76 1cye h ARG 73 Ca -0.02 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1cye h ARG 73 Cb 0.47 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1cye h ARG 73 CO 0.04 0.10 -0.09 0.00 0.56 0.00 0.00 179.97 180.57 1cye h ALA 74 N 1.49 1.08 -1.89 0.04 0.00 -0.80 -3.38 119.26 115.80 1cye h ALA 74 Ca 0.29 -0.08 -0.59 0.00 0.00 0.00 0.00 54.91 54.53 1cye h ALA 74 Cb 0.45 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 1cye h ALA 74 CO -0.45 0.11 0.67 0.34 0.00 0.00 0.00 179.25 179.93 1cye s ASP 75 N -5.88 6.56 0.00 0.00 -1.08 -0.39 -4.97 116.67 110.91 1cye s ASP 75 Ca -0.01 0.28 -0.01 0.00 -0.52 0.00 0.00 52.55 52.29 1cye s ASP 75 Cb 0.11 -2.48 -0.00 0.00 -1.46 0.00 0.00 42.92 39.09 1cye s ASP 75 CO 0.56 -1.07 0.33 0.61 0.52 0.00 0.00 175.17 176.12 1cye n GLY 76 N 4.82 -0.97 0.27 2.66 0.00 -1.26 -0.80 105.19 109.91 1cye n GLY 76 Ca 0.08 0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.27 1.23 0.00 4.61 0.00 -1.93 -3.15 119.26 119.75 1cye h ALA 77 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1cye h ALA 77 Cb 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1cye h ALA 77 CO -0.03 0.50 -0.30 -1.33 0.00 0.00 0.00 179.25 178.10 1cye n MET 78 N -4.23 0.08 -0.32 0.00 2.81 -0.02 -4.40 117.12 111.04 1cye n MET 78 Ca 0.01 0.04 0.20 0.00 -1.81 0.00 0.00 57.70 56.14 1cye n MET 78 Cb 0.29 -1.57 0.39 0.00 -0.71 0.00 0.00 33.22 31.63 1cye n MET 78 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1cye h SER 79 N 0.00 0.04 0.34 7.83 4.64 -0.89 -0.64 113.55 124.87 1cye h SER 79 Ca 0.00 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1cye h SER 79 Cb 0.57 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1cye h SER 79 CO 0.00 -0.27 -0.05 0.00 -0.87 0.00 0.00 176.83 175.63 1cye n ALA 80 N -2.64 2.66 -2.30 5.18 0.00 -1.26 -4.67 120.51 117.47 1cye n ALA 80 Ca 0.28 -0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 1cye n ALA 80 Cb 0.90 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 1cye n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cye s LEU 81 N -2.40 3.64 0.15 0.00 1.43 -0.25 -4.96 118.68 116.30 1cye s LEU 81 Ca 0.33 0.99 -0.34 0.00 -1.03 0.00 0.00 54.13 54.07 1cye s LEU 81 Cb 0.20 -3.54 -0.15 0.00 0.03 0.00 0.00 46.19 42.74 1cye s LEU 81 CO 0.45 -1.40 1.43 -0.81 0.23 0.00 0.00 176.35 176.24 1cye n PRO 82 N 7.98 1.69 -4.49 1.29 -0.04 -1.26 -4.72 135.00 135.45 1cye n PRO 82 Ca 0.17 0.61 -0.33 0.00 -0.04 0.00 0.00 63.50 63.91 1cye n PRO 82 Cb 0.47 -2.29 -0.15 0.00 -0.04 0.00 0.00 33.50 31.49 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 0.51 2.58 -0.34 0.52 1.01 -1.26 -0.56 120.40 122.86 1cye s VAL 83 Ca 0.79 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 1cye s VAL 83 Cb -0.79 -2.09 0.06 0.00 0.00 0.00 0.00 36.38 33.56 1cye s VAL 83 CO 0.44 0.52 0.09 -0.22 0.00 0.00 0.00 175.10 175.92 1cye s LEU 84 N 0.88 4.35 -0.57 3.92 2.96 0.31 -0.81 118.68 129.72 1cye s LEU 84 Ca -0.04 -1.35 -0.27 0.00 -0.22 0.00 0.00 54.13 52.25 1cye s LEU 84 Cb -0.15 -1.81 0.03 0.00 0.50 0.00 0.00 46.19 44.76 1cye s LEU 84 CO -0.01 -0.35 1.12 -0.04 -1.32 0.00 0.00 176.35 175.75 1cye s MET 85 N 1.30 3.47 -0.67 1.98 -1.94 -0.14 -0.68 119.30 122.62 1cye s MET 85 Ca -0.01 0.11 -0.20 0.00 -1.71 0.00 0.00 55.69 53.88 1cye s MET 85 Cb -0.20 -4.02 0.09 0.00 2.01 0.00 0.00 34.83 32.71 1cye s MET 85 CO 0.00 -1.62 0.87 0.08 -0.01 0.00 0.00 175.02 174.34 1cye s VAL 86 N 4.66 4.60 -0.08 -6.03 1.01 0.46 -1.07 120.40 123.96 1cye s VAL 86 Ca 0.39 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 1cye s VAL 86 Cb -0.09 -4.61 -0.03 0.00 0.00 0.00 0.00 36.38 31.65 1cye s VAL 86 CO 0.24 -1.32 -0.04 0.28 0.00 0.00 0.00 175.10 174.26 1cye s THR 87 N 3.25 3.97 0.27 3.92 -1.32 -0.95 -0.42 115.64 124.34 1cye s THR 87 Ca 0.19 -0.38 -0.01 0.00 -1.21 0.00 0.00 61.69 60.29 1cye s THR 87 Cb -0.18 -2.65 0.25 0.00 -1.51 0.00 0.00 72.50 68.41 1cye s THR 87 CO 0.06 0.59 1.79 0.00 -2.21 0.00 0.00 174.62 174.85 1cye h ALA 88 N 5.32 1.34 -3.00 11.08 0.00 -1.87 -2.73 119.26 129.39 1cye h ALA 88 Ca -0.48 0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.26 1cye h ALA 88 Cb 1.18 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.68 1cye h ALA 88 CO 0.54 0.01 -0.72 -1.21 0.00 0.00 0.00 179.25 177.87 1cye s GLU 89 N -5.97 0.49 -1.20 0.00 2.02 -1.26 -4.36 118.70 108.42 1cye s GLU 89 Ca -0.12 -0.78 -0.12 0.00 0.02 0.00 0.00 54.97 53.97 1cye s GLU 89 Cb 0.22 -0.15 0.19 0.00 0.10 0.00 0.00 34.13 34.49 1cye s GLU 89 CO 0.79 0.01 1.45 0.00 0.02 0.00 0.00 175.26 177.53 1cye n ALA 90 N 1.33 4.21 -2.71 5.21 0.00 -1.26 -4.96 120.51 122.33 1cye n ALA 90 Ca -0.22 -4.35 -0.37 0.00 0.00 0.00 0.00 53.44 48.50 1cye n ALA 90 Cb 0.55 -2.92 -0.06 0.00 0.00 0.00 0.00 19.45 17.02 1cye n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1cye s LYS 91 N 0.74 3.90 0.27 0.00 1.02 -1.26 -5.02 119.74 119.40 1cye s LYS 91 Ca 0.40 0.09 -0.07 0.00 0.02 0.00 0.00 55.97 56.41 1cye s LYS 91 Cb -0.02 -3.29 0.47 0.00 -0.52 0.00 0.00 37.83 34.47 1cye s LYS 91 CO -0.01 0.54 1.57 -0.22 -0.92 0.00 0.00 175.35 176.32 1cye h LYS 92 N 5.59 0.00 0.04 1.68 3.64 -1.99 -0.85 116.57 124.68 1cye h LYS 92 Ca -0.48 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1cye h LYS 92 Cb 1.20 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1cye h LYS 92 CO 0.66 0.00 -0.08 0.93 -2.27 0.00 0.00 179.45 178.70 1cye h GLU 93 N 0.00 -0.15 -0.55 1.90 3.07 -1.99 -1.37 114.58 115.50 1cye h GLU 93 Ca 0.47 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.39 1cye h GLU 93 Cb 0.77 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.66 1cye h GLU 93 CO -0.96 -0.10 0.28 -0.91 -1.40 0.00 0.00 179.01 175.92 1cye h ASN 94 N -0.15 0.40 0.29 1.42 4.21 -1.58 -0.39 115.58 119.78 1cye h ASN 94 Ca 0.02 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.56 1cye h ASN 94 Cb 0.17 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.30 1cye h ASN 94 CO -0.05 0.27 -0.28 0.40 -1.29 0.00 0.00 177.43 176.48 1cye h ILE 95 N 0.53 0.41 0.06 2.81 2.04 -0.84 0.42 117.51 122.94 1cye h ILE 95 Ca 0.24 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.11 1cye h ILE 95 Cb 0.16 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1cye h ILE 95 CO -0.17 0.00 -0.05 0.40 0.00 0.00 0.00 178.15 178.33 1cye h ILE 96 N -0.60 0.88 -0.34 -0.67 2.04 -0.95 -1.50 117.51 116.37 1cye h ILE 96 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1cye h ILE 96 Cb 0.55 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 1cye h ILE 96 CO -0.05 0.00 0.04 0.00 0.00 0.00 0.00 178.15 178.14 1cye h ALA 97 N 0.82 0.34 -0.14 1.87 0.00 -0.87 0.08 119.26 121.37 1cye h ALA 97 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1cye h ALA 97 Cb 0.12 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1cye h ALA 97 CO -0.01 -0.36 0.05 0.00 0.00 0.00 0.00 179.25 178.92 1cye h ALA 98 N 1.27 0.15 -0.30 0.00 0.00 -0.66 -1.50 119.26 118.22 1cye h ALA 98 Ca 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1cye h ALA 98 Cb 0.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1cye h ALA 98 CO -0.24 -0.39 0.14 0.00 0.00 0.00 0.00 179.25 178.77 1cye h ALA 99 N 1.08 0.39 -0.89 0.00 0.00 -0.63 -0.73 119.26 118.47 1cye h ALA 99 Ca 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1cye h ALA 99 Cb 0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1cye h ALA 99 CO -0.05 -0.05 0.58 1.96 0.00 0.00 0.00 179.25 181.68 1cye h GLN 100 N 0.35 1.18 -0.00 0.00 4.20 -0.77 -2.25 115.11 117.82 1cye h GLN 100 Ca 0.10 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1cye h GLN 100 Cb 0.12 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1cye h GLN 100 CO -0.01 0.78 -0.01 0.00 -0.67 0.00 0.00 178.83 178.92 1cye n ALA 101 N -2.40 2.66 0.00 3.87 0.00 -0.59 -4.93 120.51 119.13 1cye n ALA 101 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1cye n ALA 101 Cb 0.03 -1.45 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 1.07 0.77 3.67 0.00 0.00 -0.84 -4.35 105.19 105.49 1cye n GLY 102 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1cye n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cye s ALA 103 N -2.00 3.64 0.41 4.61 0.00 -0.30 -4.70 121.76 123.41 1cye s ALA 103 Ca 0.00 1.21 0.14 0.00 0.00 0.00 0.00 51.96 53.30 1cye s ALA 103 Cb 0.00 -3.78 0.87 0.00 0.00 0.00 0.00 23.12 20.21 1cye s ALA 103 CO 0.00 -1.39 1.91 0.77 0.00 0.00 0.00 175.76 177.05 1cye h SER 104 N 9.60 0.00 -5.68 0.00 0.02 -1.30 -3.40 113.55 112.79 1cye h SER 104 Ca -0.45 -0.00 0.28 0.00 -0.84 0.00 0.00 61.79 60.78 1cye h SER 104 Cb 1.21 -0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.68 1cye h SER 104 CO 0.94 0.27 0.78 -0.83 -1.14 0.00 0.00 176.83 176.86 1cye s GLY 105 N -4.24 -0.11 -0.11 -3.77 0.00 -0.89 -4.76 107.32 93.43 1cye s GLY 105 Ca -0.03 0.05 -0.06 0.00 0.00 0.00 0.00 44.72 44.68 1cye s GLY 105 CO 0.71 3.49 0.27 -2.52 0.00 0.00 0.00 173.10 175.05 1cye s TYR 106 N -2.19 -0.36 -0.14 1.90 1.13 -1.26 -0.97 117.35 115.46 1cye s TYR 106 Ca 0.24 0.84 0.02 0.00 -1.41 0.00 0.00 57.07 56.76 1cye s TYR 106 Cb -0.00 0.08 0.01 0.00 -1.10 0.00 0.00 41.96 40.96 1cye s TYR 106 CO 0.01 -0.23 -0.20 0.54 -2.51 0.00 0.00 175.55 173.15 1cye s VAL 107 N 1.11 1.97 0.01 -3.49 0.11 -0.23 -4.91 120.40 114.97 1cye s VAL 107 Ca -0.08 -0.92 -0.30 0.00 -2.93 0.00 0.00 61.98 57.75 1cye s VAL 107 Cb -0.09 -1.76 -0.04 0.00 -1.53 0.00 0.00 36.38 32.96 1cye s VAL 107 CO -0.08 0.53 1.13 -0.69 -3.33 0.00 0.00 175.10 172.66 1cye s VAL 108 N 0.96 4.36 -0.01 2.04 1.01 -1.26 -2.24 120.40 125.26 1cye s VAL 108 Ca -0.04 1.69 -0.16 0.00 0.00 0.00 0.00 61.98 63.47 1cye s VAL 108 Cb -0.15 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 1cye s VAL 108 CO -0.04 0.09 0.43 -1.59 0.00 0.00 0.00 175.10 173.99 1cye s LYS 109 N 1.38 4.02 0.11 2.72 -2.85 -1.03 -3.20 119.74 120.90 1cye s LYS 109 Ca 0.56 0.44 -0.30 0.00 -1.00 0.00 0.00 55.97 55.67 1cye s LYS 109 Cb -0.25 -3.26 -0.06 0.00 -2.06 0.00 0.00 37.83 32.20 1cye s LYS 109 CO 0.26 0.60 1.05 -1.25 0.10 0.00 0.00 175.35 176.11 1cye s PRO 110 N -0.79 4.60 0.08 1.78 0.04 -1.26 -4.76 135.00 134.69 1cye s PRO 110 Ca 0.24 1.59 0.09 0.00 0.04 0.00 0.00 61.00 62.96 1cye s PRO 110 Cb -0.17 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 1cye s PRO 110 CO 0.13 0.06 -0.20 -0.59 0.04 0.00 0.00 177.00 176.44 1cye s PHE 111 N 0.20 2.50 0.56 0.56 -0.71 -1.19 -5.14 117.98 114.75 1cye s PHE 111 Ca 0.50 -0.29 0.07 0.00 -1.04 0.00 0.00 56.93 56.18 1cye s PHE 111 Cb -0.26 -1.38 0.06 0.00 -1.21 0.00 0.00 43.02 40.23 1cye s PHE 111 CO 0.31 0.31 0.57 0.95 -1.34 0.00 0.00 175.22 176.02 1cye s THR 112 N -1.03 1.87 0.24 -4.49 -4.23 -1.26 -4.90 115.64 101.85 1cye s THR 112 Ca 0.16 -1.28 -0.04 0.00 -1.18 0.00 0.00 61.69 59.35 1cye s THR 112 Cb -0.10 -2.15 0.21 0.00 1.34 0.00 0.00 72.50 71.79 1cye s THR 112 CO 0.07 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 175.94 1cye h ALA 113 N 0.51 1.15 -0.07 3.99 0.00 -1.99 0.85 119.26 123.69 1cye h ALA 113 Ca -0.34 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1cye h ALA 113 Cb 1.30 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1cye h ALA 113 CO 0.50 -0.00 0.02 0.00 0.00 0.00 0.00 179.25 179.77 1cye h ALA 114 N 1.48 0.09 -0.36 0.00 0.00 -1.96 0.01 119.26 118.51 1cye h ALA 114 Ca 0.40 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1cye h ALA 114 Cb 0.45 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1cye h ALA 114 CO -0.29 -0.29 0.22 1.15 0.00 0.00 0.00 179.25 180.04 1cye h THR 115 N -0.10 1.11 -0.08 0.00 2.02 -1.82 0.00 112.91 114.05 1cye h THR 115 Ca 0.02 -0.24 0.03 0.00 0.77 0.00 0.00 66.41 66.99 1cye h THR 115 Cb 0.23 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1cye h THR 115 CO -0.00 0.11 -0.10 0.25 0.37 0.00 0.00 175.52 176.15 1cye h LEU 116 N 0.48 -0.31 -0.29 2.58 5.85 -0.66 -2.38 115.31 120.58 1cye h LEU 116 Ca 0.13 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.93 1cye h LEU 116 Cb -0.02 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1cye h LEU 116 CO -0.03 -0.14 0.14 -0.08 -0.34 0.00 0.00 178.44 178.00 1cye h GLU 117 N -0.14 0.29 -0.72 1.25 4.81 -0.61 -1.02 114.58 118.45 1cye h GLU 117 Ca 0.06 -0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.42 1cye h GLU 117 Cb 0.23 -0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.44 1cye h GLU 117 CO -0.16 0.19 0.21 1.49 -0.73 0.00 0.00 179.01 180.01 1cye h GLU 118 N 0.30 0.31 -0.16 1.92 4.22 -0.67 0.58 114.58 121.08 1cye h GLU 118 Ca 0.12 -0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.49 1cye h GLU 118 Cb 0.04 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1cye h GLU 118 CO -0.08 0.21 -0.08 0.87 -2.18 0.00 0.00 179.01 177.74 1cye h LYS 119 N 0.32 0.34 -0.31 1.92 1.79 -0.85 -2.28 116.57 117.50 1cye h LYS 119 Ca 0.40 -0.15 0.05 0.00 -2.18 0.00 0.00 60.65 58.76 1cye h LYS 119 Cb 0.64 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.24 1cye h LYS 119 CO -0.46 0.66 0.04 -0.07 -1.08 0.00 0.00 179.45 178.55 1cye h LEU 120 N 0.01 -0.03 -0.05 2.94 3.38 -0.30 -1.71 115.31 119.54 1cye h LEU 120 Ca 0.04 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1cye h LEU 120 Cb 0.56 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1cye h LEU 120 CO 0.02 0.02 -0.18 0.78 0.09 0.00 0.00 178.44 179.18 1cye h ASN 121 N 0.14 -0.52 -0.56 -0.43 4.21 -0.90 -2.05 115.58 115.47 1cye h ASN 121 Ca 0.15 0.08 0.10 0.00 1.21 0.00 0.00 56.30 57.84 1cye h ASN 121 Cb 0.18 0.23 -0.08 0.00 -1.12 0.00 0.00 38.32 37.53 1cye h ASN 121 CO -0.21 -0.23 0.13 0.50 -1.29 0.00 0.00 177.43 176.32 1cye h LYS 122 N -0.26 0.26 -0.32 0.81 3.64 -1.00 -1.40 116.57 118.31 1cye h LYS 122 Ca 0.07 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1cye h LYS 122 Cb 0.36 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1cye h LYS 122 CO -0.20 0.17 0.21 0.82 -2.27 0.00 0.00 179.45 178.18 1cye h ILE 123 N 0.27 1.08 -0.84 2.00 2.04 -0.85 0.11 117.51 121.32 1cye h ILE 123 Ca 0.28 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 1cye h ILE 123 Cb 0.40 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1cye h ILE 123 CO -0.36 0.08 0.48 -0.26 0.00 0.00 0.00 178.15 178.09 1cye h PHE 124 N 0.43 1.14 -0.09 1.37 0.04 -0.86 -1.96 116.94 117.00 1cye h PHE 124 Ca 0.12 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.87 1cye h PHE 124 Cb -0.05 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 37.73 1cye h PHE 124 CO -0.06 0.78 0.04 1.49 -0.60 0.00 0.00 178.31 179.97 1cye h GLU 125 N 1.17 0.13 -1.00 1.51 4.57 -0.61 -1.51 114.58 118.85 1cye h GLU 125 Ca 0.30 -0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.57 1cye h GLU 125 Cb 0.00 -0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.49 1cye h GLU 125 CO -0.05 0.22 0.63 0.87 -1.18 0.00 0.00 179.01 179.50 1cye h LYS 126 N 0.02 0.97 -1.24 1.92 1.57 -0.66 -2.36 116.57 116.79 1cye h LYS 126 Ca 0.03 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 1cye h LYS 126 Cb 0.13 -0.22 -0.09 0.00 0.08 0.00 0.00 32.23 32.13 1cye h LYS 126 CO -0.00 0.64 0.22 1.28 -0.57 0.00 0.00 179.45 181.02 1cye n LEU 127 N -4.60 4.77 0.00 2.94 4.32 -0.77 -4.81 117.00 118.85 1cye n LEU 127 Ca 0.18 -2.41 0.00 0.00 -0.02 0.00 0.00 56.01 53.77 1cye n LEU 127 Cb 0.34 -0.77 0.00 0.00 -1.62 0.00 0.00 43.42 41.38 1cye n LEU 127 CO 0.28 0.83 0.00 0.61 -1.22 0.00 0.00 177.39 177.89 1cye n GLY 128 N 0.28 0.66 0.14 -0.72 0.00 -0.89 -5.00 105.19 99.66 1cye n GLY 128 Ca 0.18 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.35 1cye n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35