#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 4.49 -4.58 0.55 3.41 -1.26 -4.86 113.62 111.37 1cye n SER 2 Ca 0.00 -2.91 -0.30 0.00 -0.26 0.00 0.00 58.87 55.40 1cye n SER 2 Cb 0.00 -1.67 -0.05 0.00 -0.26 0.00 0.00 64.21 62.23 1cye n SER 2 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1cye s ASP 3 N 3.36 5.34 -0.08 4.04 -1.08 -1.26 -4.73 116.67 122.25 1cye s ASP 3 Ca 0.49 -1.63 -0.03 0.00 -0.52 0.00 0.00 52.55 50.85 1cye s ASP 3 Cb 0.09 -2.58 -0.26 0.00 -1.46 0.00 0.00 42.92 38.70 1cye s ASP 3 CO -0.01 -2.73 0.52 0.11 0.52 0.00 0.00 175.17 173.58 1cye h LYS 4 N 9.64 0.23 -2.75 4.34 1.57 -1.91 -3.38 116.57 124.31 1cye h LYS 4 Ca 0.23 -0.39 -0.73 0.00 -1.87 0.00 0.00 60.65 57.89 1cye h LYS 4 Cb 0.94 0.14 -0.10 0.00 0.08 0.00 0.00 32.23 33.29 1cye h LYS 4 CO 1.26 1.07 2.61 -1.91 -0.57 0.00 0.00 179.45 181.91 1cye n GLU 5 N -3.40 4.38 -3.55 3.15 0.00 -1.26 -2.72 120.64 117.23 1cye n GLU 5 Ca -0.26 -3.28 -0.37 0.00 0.00 0.00 0.00 57.16 53.25 1cye n GLU 5 Cb 1.05 -2.68 -0.09 0.00 0.00 0.00 0.00 31.44 29.72 1cye n GLU 5 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1cye s LEU 6 N -1.61 4.10 -0.60 4.31 0.20 -1.26 -4.84 118.68 118.99 1cye s LEU 6 Ca 0.55 0.21 -0.28 0.00 0.69 0.00 0.00 54.13 55.31 1cye s LEU 6 Cb 0.18 -2.24 0.03 0.00 -0.43 0.00 0.00 46.19 43.72 1cye s LEU 6 CO -0.08 -0.02 1.19 -0.75 -0.29 0.00 0.00 176.35 176.40 1cye s LYS 7 N 1.34 3.47 0.02 1.98 2.20 -1.25 -3.24 119.74 124.27 1cye s LYS 7 Ca 0.11 0.17 -0.06 0.00 -0.36 0.00 0.00 55.97 55.83 1cye s LYS 7 Cb -0.14 -4.03 -0.05 0.00 -1.51 0.00 0.00 37.83 32.09 1cye s LYS 7 CO 0.07 -1.72 0.27 -0.06 -0.36 0.00 0.00 175.35 173.55 1cye s PHE 8 N 4.99 3.57 -0.34 4.03 0.40 0.18 -0.62 117.98 130.20 1cye s PHE 8 Ca 0.41 0.56 -0.03 0.00 -0.60 0.00 0.00 56.93 57.27 1cye s PHE 8 Cb -0.08 -1.98 0.06 0.00 0.51 0.00 0.00 43.02 41.54 1cye s PHE 8 CO 0.24 0.60 0.08 -1.17 0.70 0.00 0.00 175.22 175.67 1cye s LEU 9 N -1.86 4.36 -0.75 -0.37 0.20 -0.44 0.18 118.68 120.01 1cye s LEU 9 Ca 0.29 -1.45 -0.25 0.00 0.69 0.00 0.00 54.13 53.40 1cye s LEU 9 Cb -0.13 -1.78 0.05 0.00 -0.43 0.00 0.00 46.19 43.90 1cye s LEU 9 CO 0.17 -0.35 1.20 0.54 -0.29 0.00 0.00 176.35 177.62 1cye s VAL 10 N 1.25 3.93 -0.74 1.68 0.11 0.44 -1.67 120.40 125.40 1cye s VAL 10 Ca -0.01 0.04 -0.09 0.00 -2.93 0.00 0.00 61.98 58.99 1cye s VAL 10 Cb -0.21 -4.86 0.19 0.00 -1.53 0.00 0.00 36.38 29.98 1cye s VAL 10 CO -0.01 -1.75 0.63 -0.69 -3.33 0.00 0.00 175.10 169.95 1cye s VAL 11 N 5.12 4.75 -0.06 2.04 1.01 0.36 -0.51 120.40 133.12 1cye s VAL 11 Ca 0.32 -2.74 0.00 0.00 0.00 0.00 0.00 61.98 59.57 1cye s VAL 11 Cb -0.10 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.32 1cye s VAL 11 CO 0.11 -0.97 -0.03 -0.62 0.00 0.00 0.00 175.10 173.59 1cye s ASP 12 N 1.43 1.29 0.60 3.32 -1.08 -0.65 -0.47 116.67 121.11 1cye s ASP 12 Ca 0.18 -0.13 0.29 0.00 -0.52 0.00 0.00 52.55 52.37 1cye s ASP 12 Cb -0.15 -0.49 1.64 0.00 -1.46 0.00 0.00 42.92 42.46 1cye s ASP 12 CO -0.06 -0.10 2.04 -2.24 0.52 0.00 0.00 175.17 175.32 1cye h ASP 13 N 7.63 0.00 -3.60 -0.34 2.03 -1.66 -3.40 116.42 117.08 1cye h ASP 13 Ca -0.31 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.34 1cye h ASP 13 Cb 1.14 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 39.42 1cye h ASP 13 CO 0.40 0.00 -0.63 0.12 -1.03 0.00 0.00 179.24 178.10 1cye s PHE 14 N -4.55 3.08 0.17 4.15 5.36 -1.26 -4.98 117.98 119.94 1cye s PHE 14 Ca -0.04 -0.45 -0.27 0.00 -0.96 0.00 0.00 56.93 55.21 1cye s PHE 14 Cb 0.15 -2.21 0.02 0.00 -0.34 0.00 0.00 43.02 40.63 1cye s PHE 14 CO 0.51 -0.35 1.55 0.66 -1.46 0.00 0.00 175.22 176.14 1cye h SER 15 N 8.12 -1.73 -0.33 6.13 4.64 -2.00 0.90 113.55 129.28 1cye h SER 15 Ca -0.38 0.28 -0.09 0.00 -0.47 0.00 0.00 61.79 61.13 1cye h SER 15 Cb 1.17 0.78 -0.01 0.00 -0.31 0.00 0.00 62.40 64.04 1cye h SER 15 CO 0.59 -0.31 -0.13 0.71 -0.87 0.00 0.00 176.83 176.81 1cye h THR 16 N -0.16 1.29 -0.85 2.95 1.35 -1.95 -2.82 112.91 112.72 1cye h THR 16 Ca 0.18 -1.23 -0.02 0.00 -0.55 0.00 0.00 66.41 64.80 1cye h THR 16 Cb 0.53 1.39 -0.04 0.00 -1.73 0.00 0.00 68.15 68.30 1cye h THR 16 CO -0.79 0.40 0.47 -0.03 -0.25 0.00 0.00 175.52 175.32 1cye h MET 17 N 0.45 1.18 -0.21 4.72 -1.53 -1.75 -1.26 114.93 116.53 1cye h MET 17 Ca 0.08 -0.13 0.04 0.00 -3.44 0.00 0.00 59.70 56.24 1cye h MET 17 Cb 0.65 -0.23 -0.03 0.00 -0.55 0.00 0.00 31.60 31.44 1cye h MET 17 CO 0.04 0.86 -0.00 -0.09 0.14 0.00 0.00 176.91 177.86 1cye h ARG 18 N 1.19 0.06 -0.73 0.39 2.43 -0.77 -2.02 114.38 114.93 1cye h ARG 18 Ca 0.30 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1cye h ARG 18 Cb 0.02 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1cye h ARG 18 CO -0.05 0.04 0.43 0.00 -1.51 0.00 0.00 179.97 178.88 1cye h ARG 19 N 0.06 0.99 -0.31 0.20 3.08 -1.11 -1.92 114.38 115.38 1cye h ARG 19 Ca 0.10 -0.09 0.05 0.00 0.07 0.00 0.00 59.98 60.10 1cye h ARG 19 Cb 0.13 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 1cye h ARG 19 CO -0.17 0.71 0.05 0.82 -1.07 0.00 0.00 179.97 180.30 1cye h ILE 20 N 0.99 0.84 -0.03 2.04 1.08 -0.59 0.38 117.51 122.22 1cye h ILE 20 Ca 0.26 -0.05 0.01 0.00 -0.39 0.00 0.00 64.86 64.68 1cye h ILE 20 Cb -0.02 0.67 -0.00 0.00 -3.07 0.00 0.00 36.82 34.39 1cye h ILE 20 CO -0.05 0.03 -0.00 0.58 -0.69 0.00 0.00 178.15 178.02 1cye h VAL 21 N 0.16 0.98 -0.56 1.67 2.07 -1.04 0.12 116.25 119.64 1cye h VAL 21 Ca 0.14 -0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.78 1cye h VAL 21 Cb 0.16 0.97 -0.10 0.00 -1.52 0.00 0.00 31.29 30.80 1cye h VAL 21 CO -0.20 0.00 -0.06 -0.09 0.02 0.00 0.00 177.57 177.24 1cye h ARG 22 N 0.00 0.06 -0.48 1.57 2.43 -0.75 -0.61 114.38 116.61 1cye h ARG 22 Ca 0.01 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1cye h ARG 22 Cb 0.02 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1cye h ARG 22 CO -0.03 0.04 0.12 -0.91 -1.51 0.00 0.00 179.97 177.69 1cye h ASN 23 N 0.06 0.73 -0.14 -3.80 -0.26 -0.42 -2.90 115.58 108.86 1cye h ASN 23 Ca 0.28 -0.23 0.04 0.00 -0.56 0.00 0.00 56.30 55.83 1cye h ASN 23 Cb 0.44 -0.19 -0.04 0.00 -1.06 0.00 0.00 38.32 37.47 1cye h ASN 23 CO -0.53 0.77 -0.10 -0.07 -1.06 0.00 0.00 177.43 176.44 1cye h LEU 24 N 0.66 -0.31 -0.53 1.61 3.38 -0.04 -1.89 115.31 118.19 1cye h LEU 24 Ca 0.15 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.29 1cye h LEU 24 Cb 0.32 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.14 1cye h LEU 24 CO 0.00 -0.13 -0.01 -0.07 0.09 0.00 0.00 178.44 178.32 1cye h LEU 25 N -0.10 -0.25 -0.55 1.67 3.38 -1.05 -1.29 115.31 117.11 1cye h LEU 25 Ca 0.09 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1cye h LEU 25 Cb 0.23 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1cye h LEU 25 CO -0.20 -0.09 0.34 0.11 0.09 0.00 0.00 178.44 178.69 1cye h LYS 26 N 0.11 0.66 -0.87 1.13 1.57 -1.26 -0.94 116.57 116.97 1cye h LYS 26 Ca 0.27 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1cye h LYS 26 Cb 0.41 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1cye h LYS 26 CO -0.45 0.43 0.57 0.93 -0.57 0.00 0.00 179.45 180.36 1cye h GLU 27 N 0.68 1.08 0.00 3.15 5.08 -0.48 -1.18 114.58 122.91 1cye h GLU 27 Ca 0.22 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1cye h GLU 27 Cb -0.00 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.01 1cye h GLU 27 CO -0.09 0.71 0.00 -0.07 -1.00 0.00 0.00 179.01 178.57 1cye h LEU 28 N 1.11 0.00 0.00 1.33 3.38 -0.59 -3.46 115.31 117.08 1cye h LEU 28 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1cye h LEU 28 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1cye h LEU 28 CO -0.09 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.05 1cye n GLY 29 N 0.14 1.29 3.36 0.83 0.00 -0.44 -5.08 105.19 105.29 1cye n GLY 29 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 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 3.31 0.36 1.61 0.08 -0.42 -4.58 117.98 116.35 1cye s PHE 30 Ca 0.00 -1.42 0.05 0.00 0.12 0.00 0.00 56.93 55.68 1cye s PHE 30 Cb 0.00 -3.95 0.70 0.00 -0.57 0.00 0.00 43.02 39.20 1cye s PHE 30 CO 0.00 -1.17 1.96 -0.91 -0.10 0.00 0.00 175.22 175.00 1cye h ASN 31 N 8.62 0.52 -3.34 1.36 -0.26 -1.76 -3.06 115.58 117.67 1cye h ASN 31 Ca -0.10 -0.05 -0.65 0.00 -0.56 0.00 0.00 56.30 54.93 1cye h ASN 31 Cb 1.07 -0.13 -0.26 0.00 -1.06 0.00 0.00 38.32 37.93 1cye h ASN 31 CO 0.98 0.48 -0.73 0.21 -1.06 0.00 0.00 177.43 177.31 1cye s ASN 32 N -6.68 4.27 -0.11 5.81 3.84 -1.20 -4.98 114.94 115.89 1cye s ASN 32 Ca -0.08 -0.32 -0.08 0.00 0.21 0.00 0.00 52.86 52.59 1cye s ASN 32 Cb 0.16 -1.69 0.04 0.00 -0.55 0.00 0.00 41.25 39.21 1cye s ASN 32 CO 0.75 0.09 0.29 0.54 -2.79 0.00 0.00 177.10 175.98 1cye s VAL 33 N 0.82 -0.02 0.29 -5.21 0.11 -1.26 -0.64 120.40 114.49 1cye s VAL 33 Ca -0.03 0.06 0.09 0.00 -2.93 0.00 0.00 61.98 59.17 1cye s VAL 33 Cb -0.15 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1cye s VAL 33 CO 0.01 0.02 0.00 -1.61 -3.33 0.00 0.00 175.10 170.20 1cye s GLU 34 N 0.64 2.23 -0.08 1.54 0.41 0.13 -4.93 118.70 118.63 1cye s GLU 34 Ca -0.04 -1.51 0.03 0.00 -0.41 0.00 0.00 54.97 53.04 1cye s GLU 34 Cb -0.05 -2.10 0.00 0.00 -1.78 0.00 0.00 34.13 30.20 1cye s GLU 34 CO -0.04 0.29 -0.20 -1.21 -0.49 0.00 0.00 175.26 173.62 1cye s GLU 35 N -3.69 2.49 0.05 1.61 8.01 -1.26 -0.42 118.70 125.48 1cye s GLU 35 Ca 0.33 -0.70 -0.00 0.00 0.01 0.00 0.00 54.97 54.60 1cye s GLU 35 Cb -0.05 -1.94 -0.03 0.00 -4.31 0.00 0.00 34.13 27.80 1cye s GLU 35 CO 0.20 0.14 -0.04 0.00 0.01 0.00 0.00 175.26 175.57 1cye s ALA 36 N 0.42 0.48 -0.08 5.21 0.00 0.34 -4.95 121.76 123.18 1cye s ALA 36 Ca -0.16 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1cye s ALA 36 Cb -0.17 0.21 -0.06 0.00 0.00 0.00 0.00 23.12 23.10 1cye s ALA 36 CO 0.07 -0.27 -0.06 0.39 0.00 0.00 0.00 175.76 175.89 1cye n GLU 37 N 0.57 0.54 -4.40 0.00 1.02 -1.26 -1.63 120.64 115.47 1cye n GLU 37 Ca -0.17 0.04 -0.21 0.00 -0.02 0.00 0.00 57.16 56.80 1cye n GLU 37 Cb 0.59 -1.16 -0.10 0.00 -0.02 0.00 0.00 31.44 30.75 1cye n GLU 37 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1cye s ASP 38 N -4.65 3.06 0.28 1.62 -4.77 -1.26 -2.17 116.67 108.78 1cye s ASP 38 Ca -0.10 -1.02 -0.00 0.00 -3.30 0.00 0.00 52.55 48.13 1cye s ASP 38 Cb 0.03 -0.21 0.65 0.00 -1.09 0.00 0.00 42.92 42.30 1cye s ASP 38 CO 0.19 -0.06 1.63 1.23 0.70 0.00 0.00 175.17 178.86 1cye h GLY 39 N 2.45 1.21 0.88 2.12 0.00 -1.40 -0.32 103.07 108.02 1cye h GLY 39 Ca -0.39 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1cye h GLY 39 CO 0.61 -0.38 -0.20 -2.08 0.00 0.00 0.00 176.54 174.48 1cye h VAL 40 N 0.14 0.58 -0.56 4.60 2.07 -1.86 -0.91 116.25 120.30 1cye h VAL 40 Ca 0.53 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.90 1cye h VAL 40 Cb 1.05 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1cye h VAL 40 CO -0.71 0.04 0.38 -0.78 0.02 0.00 0.00 177.57 176.52 1cye h ASP 41 N -0.70 0.44 0.45 0.57 3.58 -1.69 -0.79 116.42 118.28 1cye h ASP 41 Ca -0.06 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 1cye h ASP 41 Cb 0.50 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.47 1cye h ASP 41 CO 0.10 0.28 -0.22 0.00 -2.88 0.00 0.00 179.24 176.52 1cye h ALA 42 N 1.70 -0.61 -0.71 -0.78 0.00 -0.74 -1.52 119.26 116.59 1cye h ALA 42 Ca 0.25 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1cye h ALA 42 Cb 0.34 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1cye h ALA 42 CO -0.07 -0.77 0.40 -0.07 0.00 0.00 0.00 179.25 178.74 1cye h LEU 43 N -0.76 0.60 0.13 0.00 3.38 -0.13 0.22 115.31 118.75 1cye h LEU 43 Ca -0.06 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1cye h LEU 43 Cb 0.54 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1cye h LEU 43 CO 0.10 0.38 -0.35 0.78 0.09 0.00 0.00 178.44 179.44 1cye h ASN 44 N 0.73 -1.02 0.26 -0.43 -0.26 -1.09 0.20 115.58 113.97 1cye h ASN 44 Ca 0.32 0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 56.17 1cye h ASN 44 Cb 0.21 0.38 -0.00 0.00 -1.06 0.00 0.00 38.32 37.85 1cye h ASN 44 CO -0.19 -0.44 -0.15 0.11 -1.06 0.00 0.00 177.43 175.70 1cye h LYS 45 N -0.58 -0.38 -0.82 0.81 6.56 -0.50 -3.14 116.57 118.50 1cye h LYS 45 Ca 0.03 0.03 0.09 0.00 -1.06 0.00 0.00 60.65 59.73 1cye h LYS 45 Cb 0.61 0.09 -0.06 0.00 -0.57 0.00 0.00 32.23 32.30 1cye h LYS 45 CO -0.20 -0.25 0.54 1.25 -2.06 0.00 0.00 179.45 178.72 1cye h LEU 46 N -0.39 0.73 -1.97 2.94 5.85 -0.29 -2.42 115.31 119.75 1cye h LEU 46 Ca -0.03 0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.86 1cye h LEU 46 Cb 0.32 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1cye h LEU 46 CO 0.04 0.44 0.39 -0.61 -0.34 0.00 0.00 178.44 178.36 1cye h GLN 47 N 0.81 0.03 0.00 1.25 5.75 -0.55 -1.55 115.11 120.84 1cye h GLN 47 Ca 0.37 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.86 1cye h GLN 47 Cb 0.38 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.92 1cye h GLN 47 CO -0.15 0.02 -0.06 0.00 -2.65 0.00 0.00 178.83 175.99 1cye h ALA 48 N 1.73 1.15 0.00 3.38 0.00 -1.57 -3.49 119.26 120.46 1cye h ALA 48 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1cye h ALA 48 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1cye h ALA 48 CO -0.01 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1cye n GLY 49 N -0.63 -2.27 3.87 0.00 0.00 -0.59 -4.98 105.19 100.59 1cye n GLY 49 Ca -0.02 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.22 2.70 3.59 -0.02 0.00 -1.26 -4.96 105.19 105.03 1cye n GLY 50 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1cye n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cye s TYR 51 N -0.44 1.80 -2.26 1.61 2.02 -1.26 -4.50 117.35 114.31 1cye s TYR 51 Ca 0.00 0.65 0.23 0.00 -0.37 0.00 0.00 57.07 57.57 1cye s TYR 51 Cb 0.00 -4.12 0.94 0.00 -0.40 0.00 0.00 41.96 38.38 1cye s TYR 51 CO 0.00 -2.89 1.66 0.41 -1.57 0.00 0.00 175.55 173.16 1cye n GLY 52 N 5.44 -0.06 3.61 0.71 0.00 0.21 -4.83 105.19 110.27 1cye n GLY 52 Ca 0.23 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.88 -0.52 -0.22 1.61 2.19 -1.07 -4.32 117.98 113.78 1cye s PHE 53 Ca 0.34 1.15 0.02 0.00 0.33 0.00 0.00 56.93 58.76 1cye s PHE 53 Cb 0.18 0.37 0.05 0.00 -1.31 0.00 0.00 43.02 42.31 1cye s PHE 53 CO 0.28 -0.32 -0.12 0.08 1.83 0.00 0.00 175.22 176.96 1cye s VAL 54 N -0.23 1.89 -0.46 3.12 1.01 0.02 -1.33 120.40 124.42 1cye s VAL 54 Ca -0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 61.98 60.74 1cye s VAL 54 Cb -0.03 -1.94 0.12 0.00 0.00 0.00 0.00 36.38 34.53 1cye s VAL 54 CO -0.01 0.16 0.26 -0.51 0.00 0.00 0.00 175.10 174.99 1cye s ILE 55 N 1.28 3.34 -0.05 2.22 2.07 -0.67 0.06 121.20 129.44 1cye s ILE 55 Ca -0.03 -2.34 0.06 0.00 -1.41 0.00 0.00 60.65 56.93 1cye s ILE 55 Cb -0.17 -3.26 -0.01 0.00 0.13 0.00 0.00 42.46 39.14 1cye s ILE 55 CO -0.08 -0.74 -0.24 -0.55 -1.91 0.00 0.00 174.94 171.42 1cye s SER 56 N 1.44 3.14 0.15 4.50 0.15 -0.04 -0.49 113.70 122.55 1cye s SER 56 Ca 0.11 -0.49 -0.30 0.00 0.70 0.00 0.00 55.95 55.97 1cye s SER 56 Cb -0.22 -0.80 -0.08 0.00 -1.71 0.00 0.00 66.02 63.22 1cye s SER 56 CO -0.04 0.26 1.25 -0.62 1.20 0.00 0.00 173.24 175.29 1cye s ASP 57 N -0.24 7.01 0.25 5.45 -1.08 0.38 -0.04 116.67 128.41 1cye s ASP 57 Ca -0.01 2.22 -0.03 0.00 -0.52 0.00 0.00 52.55 54.21 1cye s ASP 57 Cb -0.13 -2.60 0.40 0.00 -1.46 0.00 0.00 42.92 39.13 1cye s ASP 57 CO 0.03 -0.47 1.85 -0.25 0.52 0.00 0.00 175.17 176.85 1cye h TRP 58 N 5.90 1.03 -3.26 -5.34 2.91 -0.90 -2.66 115.95 113.63 1cye h TRP 58 Ca -0.43 0.03 -0.74 0.00 1.13 0.00 0.00 58.89 58.88 1cye h TRP 58 Cb 1.21 -0.33 -0.22 0.00 -0.51 0.00 0.00 29.16 29.31 1cye h TRP 58 CO 0.64 0.48 -0.28 1.21 -1.03 0.00 0.00 178.44 179.46 1cye s ASN 59 N -5.75 6.16 -0.02 2.65 3.84 -1.26 -0.65 114.94 119.91 1cye s ASN 59 Ca -0.12 -1.36 0.00 0.00 0.21 0.00 0.00 52.86 51.59 1cye s ASN 59 Cb 0.20 -2.20 0.03 0.00 -0.55 0.00 0.00 41.25 38.73 1cye s ASN 59 CO 0.80 -0.70 0.01 -0.04 -2.79 0.00 0.00 177.10 174.38 1cye s MET 60 N 1.72 0.14 0.62 0.43 -1.94 -1.26 -4.50 119.30 114.52 1cye s MET 60 Ca 0.05 0.12 -0.18 0.00 -1.71 0.00 0.00 55.69 53.96 1cye s MET 60 Cb -0.25 -0.36 -0.03 0.00 2.01 0.00 0.00 34.83 36.20 1cye s MET 60 CO 0.07 -0.14 1.13 -2.30 -0.01 0.00 0.00 175.02 173.76 1cye n PRO 61 N 4.10 1.03 0.00 2.03 -0.02 -1.26 -2.56 135.00 138.32 1cye n PRO 61 Ca -0.27 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1cye n PRO 61 Cb 0.51 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1cye n PRO 61 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1cye n ASN 62 N -1.27 0.00 -3.71 2.55 4.13 -1.26 -4.00 115.26 111.70 1cye n ASN 62 Ca 0.14 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 56.13 1cye n ASN 62 Cb 0.47 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.55 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 0.56 0.97 3.52 0.00 -1.24 -5.01 119.30 118.09 1cye s MET 63 Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 55.69 55.11 1cye s MET 63 Cb 0.00 -2.01 0.17 0.00 0.00 0.00 0.00 34.83 33.00 1cye s MET 63 CO 0.00 -0.71 1.09 -0.51 0.00 0.00 0.00 175.02 174.89 1cye s ASP 64 N 1.88 2.84 0.14 1.11 1.01 -1.06 -1.50 116.67 121.09 1cye s ASP 64 Ca 0.01 1.36 -0.28 0.00 0.71 0.00 0.00 52.55 54.35 1cye s ASP 64 Cb -0.17 -2.04 -0.04 0.00 1.01 0.00 0.00 42.92 41.68 1cye s ASP 64 CO -0.12 -3.02 1.58 1.23 0.21 0.00 0.00 175.17 175.05 1cye h GLY 65 N -1.81 -0.66 0.91 0.21 0.00 -0.50 0.10 103.07 101.31 1cye h GLY 65 Ca -0.53 0.53 0.07 0.00 0.00 0.00 0.00 47.33 47.39 1cye h GLY 65 CO 0.55 -0.21 0.55 -2.00 0.00 0.00 0.00 176.54 175.43 1cye h LEU 66 N -0.44 0.83 -0.19 3.11 5.85 -1.84 0.23 115.31 122.84 1cye h LEU 66 Ca 0.09 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.68 1cye h LEU 66 Cb 0.61 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1cye h LEU 66 CO -0.44 0.53 -0.41 -0.33 -0.34 0.00 0.00 178.44 177.44 1cye h GLU 67 N 0.94 0.62 -0.87 1.25 3.07 -1.64 -2.54 114.58 115.41 1cye h GLU 67 Ca 0.36 -0.41 0.04 0.00 -0.50 0.00 0.00 59.36 58.86 1cye h GLU 67 Cb 0.22 0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 28.13 1cye h GLU 67 CO -0.13 1.03 0.55 1.25 -1.40 0.00 0.00 179.01 180.31 1cye h LEU 68 N 0.30 0.90 -0.44 1.33 7.12 -0.14 -1.77 115.31 122.60 1cye h LEU 68 Ca 0.00 0.00 0.04 0.00 0.13 0.00 0.00 57.88 58.06 1cye h LEU 68 Cb 1.02 -0.19 -0.04 0.00 -0.53 0.00 0.00 40.66 40.92 1cye h LEU 68 CO 0.09 0.60 0.20 0.25 -0.13 0.00 0.00 178.44 179.46 1cye h LEU 69 N 1.05 0.28 -0.59 2.25 5.85 -0.80 -1.75 115.31 121.60 1cye h LEU 69 Ca 0.36 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.11 1cye h LEU 69 Cb 0.07 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1cye h LEU 69 CO -0.14 0.20 0.37 0.11 -0.34 0.00 0.00 178.44 178.64 1cye h LYS 70 N 0.41 0.79 -0.48 1.25 1.57 -0.92 -1.20 116.57 117.98 1cye h LYS 70 Ca 0.19 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1cye h LYS 70 Cb 0.13 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1cye h LYS 70 CO -0.15 0.54 0.20 1.79 -0.57 0.00 0.00 179.45 181.26 1cye h THR 71 N 0.80 1.18 0.38 -0.16 1.35 -0.89 0.87 112.91 116.43 1cye h THR 71 Ca 0.21 -0.53 -0.02 0.00 -0.55 0.00 0.00 66.41 65.52 1cye h THR 71 Cb -0.06 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 66.96 1cye h THR 71 CO -0.04 0.21 -0.18 0.40 -0.25 0.00 0.00 175.52 175.66 1cye h ILE 72 N 0.68 0.42 -0.47 6.82 2.04 -0.57 -2.72 117.51 123.71 1cye h ILE 72 Ca 0.17 -0.66 0.08 0.00 1.00 0.00 0.00 64.86 65.45 1cye h ILE 72 Cb 0.12 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 1cye h ILE 72 CO -0.02 0.09 0.06 0.03 0.00 0.00 0.00 178.15 178.31 1cye h ARG 73 N -0.97 0.18 -0.34 2.37 2.47 -1.03 -1.53 114.38 115.53 1cye h ARG 73 Ca -0.05 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 1cye h ARG 73 Cb 0.53 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.79 1cye h ARG 73 CO 0.09 0.12 0.10 0.00 0.56 0.00 0.00 179.97 180.84 1cye h ALA 74 N 1.38 1.55 -1.34 0.04 0.00 -0.90 -3.35 119.26 116.65 1cye h ALA 74 Ca 0.23 -0.12 -0.69 0.00 0.00 0.00 0.00 54.91 54.34 1cye h ALA 74 Cb 0.32 -0.14 -0.13 0.00 0.00 0.00 0.00 17.79 17.84 1cye h ALA 74 CO -0.34 0.34 1.60 0.34 0.00 0.00 0.00 179.25 181.19 1cye s ASP 75 N -6.74 6.83 0.00 0.00 -1.08 -0.58 -4.94 116.67 110.15 1cye s ASP 75 Ca -0.08 -2.41 0.00 0.00 -0.52 0.00 0.00 52.55 49.55 1cye s ASP 75 Cb 0.16 -2.49 0.00 0.00 -1.46 0.00 0.00 42.92 39.13 1cye s ASP 75 CO 0.74 -1.07 0.00 0.61 0.52 0.00 0.00 175.17 175.97 1cye n GLY 76 N 5.23 0.00 0.39 2.66 0.00 -1.25 -0.19 105.19 112.02 1cye n GLY 76 Ca 0.38 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.57 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 2.11 0.00 4.61 0.00 -1.91 -1.53 119.26 122.54 1cye h ALA 77 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1cye h ALA 77 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1cye h ALA 77 CO 0.00 -0.37 -0.48 0.52 0.00 0.00 0.00 179.25 178.93 1cye h MET 78 N 0.46 0.00 -0.40 0.00 2.86 -0.80 -3.19 114.93 113.86 1cye h MET 78 Ca 0.44 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 58.20 1cye h MET 78 Cb 1.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.65 1cye h MET 78 CO -0.17 0.48 0.40 1.03 1.06 0.00 0.00 176.91 179.70 1cye h SER 79 N 0.00 0.00 0.91 1.22 0.87 -1.21 -1.18 113.55 114.15 1cye h SER 79 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1cye h SER 79 Cb 1.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1cye h SER 79 CO 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.36 1cye n ALA 80 N -2.40 1.81 -2.61 6.23 0.00 -1.20 -4.73 120.51 117.61 1cye n ALA 80 Ca 0.07 0.06 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 1cye n ALA 80 Cb 0.57 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 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 -4.47 4.09 0.42 0.00 1.43 -0.45 -5.02 118.68 114.67 1cye s LEU 81 Ca 0.06 0.58 -0.24 0.00 -1.03 0.00 0.00 54.13 53.49 1cye s LEU 81 Cb 0.10 -3.08 -0.11 0.00 0.03 0.00 0.00 46.19 43.13 1cye s LEU 81 CO 0.44 -0.67 1.00 -0.81 0.23 0.00 0.00 176.35 176.55 1cye n PRO 82 N 6.32 1.34 -4.08 1.29 -0.04 -1.26 -4.76 135.00 133.80 1cye n PRO 82 Ca 0.04 0.48 -0.32 0.00 -0.04 0.00 0.00 63.50 63.66 1cye n PRO 82 Cb 0.48 -2.03 -0.16 0.00 -0.04 0.00 0.00 33.50 31.75 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 -1.27 1.95 -0.36 0.52 1.01 -1.26 -0.80 120.40 120.19 1cye s VAL 83 Ca 0.63 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 1cye s VAL 83 Cb -0.56 -1.85 0.06 0.00 0.00 0.00 0.00 36.38 34.03 1cye s VAL 83 CO 0.57 0.40 0.13 -0.22 0.00 0.00 0.00 175.10 175.98 1cye s LEU 84 N 1.31 4.55 -0.25 3.92 2.96 0.11 -1.34 118.68 129.93 1cye s LEU 84 Ca 0.02 -1.39 -0.27 0.00 -0.22 0.00 0.00 54.13 52.28 1cye s LEU 84 Cb -0.14 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.70 1cye s LEU 84 CO -0.11 -0.39 0.95 -0.04 -1.32 0.00 0.00 176.35 175.44 1cye s MET 85 N 1.33 4.18 -0.71 1.98 -1.94 -0.37 -0.86 119.30 122.92 1cye s MET 85 Ca 0.00 1.11 -0.18 0.00 -1.71 0.00 0.00 55.69 54.91 1cye s MET 85 Cb -0.21 -3.66 0.13 0.00 2.01 0.00 0.00 34.83 33.10 1cye s MET 85 CO 0.01 -0.64 0.82 0.08 -0.01 0.00 0.00 175.02 175.28 1cye s VAL 86 N 3.12 4.90 -0.11 -6.03 1.01 0.95 -0.13 120.40 124.12 1cye s VAL 86 Ca 0.40 -1.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 1cye s VAL 86 Cb -0.15 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 1cye s VAL 86 CO 0.08 -1.21 0.03 0.28 0.00 0.00 0.00 175.10 174.29 1cye s THR 87 N 2.35 4.59 0.31 3.92 -1.32 -0.55 -0.15 115.64 124.79 1cye s THR 87 Ca 0.18 -0.13 0.32 0.00 -1.21 0.00 0.00 61.69 60.84 1cye s THR 87 Cb -0.17 -2.97 0.35 0.00 -1.51 0.00 0.00 72.50 68.20 1cye s THR 87 CO 0.01 0.59 2.06 0.00 -2.21 0.00 0.00 174.62 175.07 1cye h ALA 88 N 5.35 1.09 -3.46 11.08 0.00 -1.88 -0.79 119.26 130.65 1cye h ALA 88 Ca -0.49 -0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.11 1cye h ALA 88 Cb 1.20 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.68 1cye h ALA 88 CO 0.57 0.09 -0.64 -1.21 0.00 0.00 0.00 179.25 178.06 1cye s GLU 89 N -3.92 0.07 -1.09 0.00 2.02 -1.26 -4.78 118.70 109.73 1cye s GLU 89 Ca -0.01 0.19 -0.02 0.00 0.02 0.00 0.00 54.97 55.15 1cye s GLU 89 Cb 0.11 -0.07 0.28 0.00 0.10 0.00 0.00 34.13 34.55 1cye s GLU 89 CO 0.55 -0.08 1.93 0.00 0.02 0.00 0.00 175.26 177.68 1cye n ALA 90 N 3.58 6.20 -2.58 5.21 0.00 -1.26 -4.78 120.51 126.87 1cye n ALA 90 Ca -0.19 -4.51 -0.30 0.00 0.00 0.00 0.00 53.44 48.44 1cye n ALA 90 Cb 0.56 -2.31 -0.10 0.00 0.00 0.00 0.00 19.45 17.59 1cye n ALA 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1cye s LYS 91 N -3.64 2.27 0.28 0.00 -2.85 -1.26 -4.99 119.74 109.54 1cye s LYS 91 Ca 0.42 -0.93 0.05 0.00 -1.00 0.00 0.00 55.97 54.51 1cye s LYS 91 Cb 0.19 -2.37 0.77 0.00 -2.06 0.00 0.00 37.83 34.36 1cye s LYS 91 CO -0.12 0.54 1.35 0.36 0.10 0.00 0.00 175.35 177.58 1cye n LYS 92 N 0.96 -0.06 0.15 1.78 2.85 -1.26 -1.42 118.16 121.17 1cye n LYS 92 Ca -0.14 1.26 -0.16 0.00 -1.05 0.00 0.00 58.31 58.22 1cye n LYS 92 Cb 0.52 -2.06 -0.09 0.00 -0.65 0.00 0.00 35.03 32.74 1cye n LYS 92 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1cye h GLU 93 N 0.00 -0.76 -0.35 -1.58 4.22 -1.97 0.90 114.58 115.04 1cye h GLU 93 Ca 0.57 0.05 0.01 0.00 0.08 0.00 0.00 59.36 60.07 1cye h GLU 93 Cb 1.26 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 1cye h GLU 93 CO -0.78 -0.50 0.21 -0.91 -2.18 0.00 0.00 179.01 174.85 1cye h ASN 94 N -0.79 0.35 0.50 1.04 4.21 -1.55 -0.77 115.58 118.57 1cye h ASN 94 Ca -0.02 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 1cye h ASN 94 Cb 0.76 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.87 1cye h ASN 94 CO -0.22 0.25 -0.37 0.40 -1.29 0.00 0.00 177.43 176.20 1cye h ILE 95 N 0.43 0.24 0.05 2.81 2.04 -0.87 0.27 117.51 122.48 1cye h ILE 95 Ca 0.13 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 1cye h ILE 95 Cb -0.01 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1cye h ILE 95 CO -0.05 0.00 -0.02 0.40 0.00 0.00 0.00 178.15 178.47 1cye h ILE 96 N -0.85 0.95 -0.32 -0.67 2.04 -0.73 -1.46 117.51 116.47 1cye h ILE 96 Ca -0.05 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 65.86 1cye h ILE 96 Cb 0.72 0.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 1cye h ILE 96 CO 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 178.11 1cye h ALA 97 N 0.88 0.24 0.48 1.87 0.00 -0.96 0.25 119.26 122.03 1cye h ALA 97 Ca -0.01 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1cye h ALA 97 Cb 0.05 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1cye h ALA 97 CO 0.01 -0.44 -0.23 0.00 0.00 0.00 0.00 179.25 178.58 1cye h ALA 98 N 1.31 -0.65 -0.30 0.00 0.00 -0.74 -2.18 119.26 116.71 1cye h ALA 98 Ca 0.16 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1cye h ALA 98 Cb 0.23 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1cye h ALA 98 CO -0.31 -0.85 0.05 0.00 0.00 0.00 0.00 179.25 178.15 1cye h ALA 99 N -0.18 0.30 -0.13 0.00 0.00 -0.92 -1.07 119.26 117.26 1cye h ALA 99 Ca -0.07 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1cye h ALA 99 Cb 0.52 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1cye h ALA 99 CO 0.11 -0.36 0.02 1.96 0.00 0.00 0.00 179.25 180.98 1cye h GLN 100 N 0.16 0.17 -0.08 0.00 1.08 -0.86 -1.84 115.11 113.74 1cye h GLN 100 Ca 0.14 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1cye h GLN 100 Cb 0.15 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1cye h GLN 100 CO -0.19 0.17 0.00 0.00 -0.95 0.00 0.00 178.83 177.87 1cye n ALA 101 N -2.51 2.55 0.00 3.87 0.00 -0.83 -4.93 120.51 118.66 1cye n ALA 101 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1cye n ALA 101 Cb 0.13 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 1.15 0.75 3.60 0.00 0.00 -0.69 -4.36 105.19 105.64 1cye n GLY 102 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 2.91 0.46 4.61 0.00 -0.46 -4.54 121.76 122.74 1cye s ALA 103 Ca 0.00 0.08 0.37 0.00 0.00 0.00 0.00 51.96 52.41 1cye s ALA 103 Cb 0.00 -4.00 1.91 0.00 0.00 0.00 0.00 23.12 21.03 1cye s ALA 103 CO 0.00 -2.59 2.20 0.66 0.00 0.00 0.00 175.76 176.03 1cye h SER 104 N 12.16 0.00 -5.52 0.00 4.64 -1.53 -3.36 113.55 119.93 1cye h SER 104 Ca -0.31 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.25 1cye h SER 104 Cb 1.15 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.14 1cye h SER 104 CO 1.06 0.03 0.64 -0.83 -0.87 0.00 0.00 176.83 176.85 1cye s GLY 105 N -4.16 -0.27 -0.11 -0.77 0.00 -0.96 -4.82 107.32 96.23 1cye s GLY 105 Ca -0.03 0.29 -0.05 0.00 0.00 0.00 0.00 44.72 44.93 1cye s GLY 105 CO 0.49 0.43 0.24 -2.52 0.00 0.00 0.00 173.10 171.75 1cye s TYR 106 N -2.82 -0.34 -0.23 1.90 1.13 -1.26 -1.23 117.35 114.49 1cye s TYR 106 Ca 0.14 0.82 -0.04 0.00 -1.41 0.00 0.00 57.07 56.58 1cye s TYR 106 Cb 0.01 0.01 -0.01 0.00 -1.10 0.00 0.00 41.96 40.88 1cye s TYR 106 CO 0.00 -0.26 -0.02 0.54 -2.51 0.00 0.00 175.55 173.30 1cye s VAL 107 N 1.57 3.49 -0.12 -3.49 0.11 0.82 -4.92 120.40 117.87 1cye s VAL 107 Ca -0.06 -0.49 -0.28 0.00 -2.93 0.00 0.00 61.98 58.22 1cye s VAL 107 Cb -0.11 -2.61 -0.02 0.00 -1.53 0.00 0.00 36.38 32.11 1cye s VAL 107 CO -0.08 0.39 0.92 -0.69 -3.33 0.00 0.00 175.10 172.30 1cye s VAL 108 N 1.49 4.84 0.00 2.04 1.01 -1.26 -1.48 120.40 127.04 1cye s VAL 108 Ca 0.05 1.85 -0.22 0.00 0.00 0.00 0.00 61.98 63.66 1cye s VAL 108 Cb -0.15 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 1cye s VAL 108 CO -0.02 0.04 0.67 -1.59 0.00 0.00 0.00 175.10 174.20 1cye s LYS 109 N 1.92 4.40 -0.04 2.72 -2.85 -0.30 -2.65 119.74 122.93 1cye s LYS 109 Ca 0.44 0.87 -0.30 0.00 -1.00 0.00 0.00 55.97 55.98 1cye s LYS 109 Cb -0.18 -3.37 -0.03 0.00 -2.06 0.00 0.00 37.83 32.20 1cye s LYS 109 CO 0.16 0.29 1.11 -1.25 0.10 0.00 0.00 175.35 175.76 1cye s PRO 110 N 0.03 4.42 0.08 1.78 0.04 -1.26 -4.65 135.00 135.44 1cye s PRO 110 Ca 0.35 1.57 0.08 0.00 0.04 0.00 0.00 61.00 63.03 1cye s PRO 110 Cb -0.19 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 1cye s PRO 110 CO 0.19 -0.32 -0.17 -0.59 0.04 0.00 0.00 177.00 176.15 1cye s PHE 111 N 1.80 2.57 0.45 0.56 -0.71 -1.08 -5.13 117.98 116.43 1cye s PHE 111 Ca 0.53 -0.25 0.08 0.00 -1.04 0.00 0.00 56.93 56.26 1cye s PHE 111 Cb -0.23 -1.41 0.01 0.00 -1.21 0.00 0.00 43.02 40.18 1cye s PHE 111 CO 0.23 0.33 0.50 0.95 -1.34 0.00 0.00 175.22 175.89 1cye s THR 112 N -1.05 2.60 0.34 -4.49 -4.23 -1.26 -4.91 115.64 102.64 1cye s THR 112 Ca 0.17 -1.20 0.07 0.00 -1.18 0.00 0.00 61.69 59.54 1cye s THR 112 Cb -0.11 -2.81 0.31 0.00 1.34 0.00 0.00 72.50 71.24 1cye s THR 112 CO 0.08 0.00 1.88 0.00 -0.54 0.00 0.00 174.62 176.04 1cye h ALA 113 N 0.77 1.75 0.02 3.99 0.00 -1.99 0.14 119.26 123.94 1cye h ALA 113 Ca -0.39 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1cye h ALA 113 Cb 1.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1cye h ALA 113 CO 0.51 0.03 -0.01 0.00 0.00 0.00 0.00 179.25 179.78 1cye h ALA 114 N 1.58 -0.03 -0.56 0.00 0.00 -1.98 0.02 119.26 118.29 1cye h ALA 114 Ca 0.43 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1cye h ALA 114 Cb 0.59 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1cye h ALA 114 CO -0.19 -0.37 0.34 1.15 0.00 0.00 0.00 179.25 180.18 1cye h THR 115 N -0.33 1.07 0.45 0.00 2.02 -1.74 0.08 112.91 114.46 1cye h THR 115 Ca -0.00 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 1cye h THR 115 Cb 0.32 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1cye h THR 115 CO 0.01 0.12 -0.30 0.25 0.37 0.00 0.00 175.52 175.97 1cye h LEU 116 N 0.68 -0.76 -0.85 2.58 5.85 -0.56 -2.47 115.31 119.78 1cye h LEU 116 Ca 0.22 0.05 0.02 0.00 0.84 0.00 0.00 57.88 59.01 1cye h LEU 116 Cb 0.01 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1cye h LEU 116 CO -0.09 -0.46 0.55 -0.08 -0.34 0.00 0.00 178.44 178.02 1cye h GLU 117 N -0.73 1.07 -0.57 1.25 4.81 -0.62 -1.41 114.58 118.39 1cye h GLU 117 Ca -0.05 -0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.22 1cye h GLU 117 Cb 0.61 -0.24 -0.08 0.00 0.63 0.00 0.00 28.75 29.66 1cye h GLU 117 CO 0.03 0.71 0.13 1.49 -0.73 0.00 0.00 179.01 180.64 1cye h GLU 118 N 1.10 0.26 -0.26 1.92 4.22 -0.70 -0.11 114.58 121.02 1cye h GLU 118 Ca 0.33 -0.02 -0.13 0.00 0.08 0.00 0.00 59.36 59.62 1cye h GLU 118 Cb -0.06 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1cye h GLU 118 CO -0.09 0.17 -0.34 0.87 -2.18 0.00 0.00 179.01 177.44 1cye h LYS 119 N 0.27 0.69 -0.45 1.92 1.79 -0.94 -3.17 116.57 116.68 1cye h LYS 119 Ca 0.29 -0.39 0.05 0.00 -2.18 0.00 0.00 60.65 58.42 1cye h LYS 119 Cb 0.42 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.05 1cye h LYS 119 CO -0.37 1.01 0.19 -0.07 -1.08 0.00 0.00 179.45 179.13 1cye h LEU 120 N 0.41 0.24 -0.37 2.94 3.38 -0.55 -2.69 115.31 118.68 1cye h LEU 120 Ca 0.03 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.11 1cye h LEU 120 Cb 0.92 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 1cye h LEU 120 CO 0.08 0.18 -0.05 0.78 0.09 0.00 0.00 178.44 179.51 1cye h ASN 121 N 0.39 -0.26 -0.51 -0.43 2.35 -1.07 -1.92 115.58 114.12 1cye h ASN 121 Ca 0.20 0.10 0.09 0.00 -0.55 0.00 0.00 56.30 56.15 1cye h ASN 121 Cb 0.16 0.20 -0.08 0.00 0.05 0.00 0.00 38.32 38.64 1cye h ASN 121 CO -0.18 -0.09 0.06 0.50 -1.65 0.00 0.00 177.43 176.08 1cye h LYS 122 N 0.04 0.18 -0.19 0.81 3.64 -1.46 -2.15 116.57 117.44 1cye h LYS 122 Ca 0.18 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1cye h LYS 122 Cb 0.27 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1cye h LYS 122 CO -0.35 0.12 0.12 0.82 -2.27 0.00 0.00 179.45 177.89 1cye h ILE 123 N 0.18 1.06 -0.88 2.00 1.08 -1.10 -2.65 117.51 117.21 1cye h ILE 123 Ca 0.26 -0.13 0.06 0.00 -0.39 0.00 0.00 64.86 64.66 1cye h ILE 123 Cb 0.37 0.80 -0.06 0.00 -3.07 0.00 0.00 36.82 34.87 1cye h ILE 123 CO -0.38 0.06 0.57 -0.26 -0.69 0.00 0.00 178.15 177.46 1cye h PHE 124 N 0.25 1.01 -0.53 1.37 0.04 -0.79 -1.75 116.94 116.55 1cye h PHE 124 Ca 0.07 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 1cye h PHE 124 Cb -0.01 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 37.78 1cye h PHE 124 CO -0.06 0.54 0.29 0.93 -0.60 0.00 0.00 178.31 179.41 1cye h GLU 125 N 1.01 0.75 -0.31 1.51 5.08 -1.08 -0.05 114.58 121.48 1cye h GLU 125 Ca 0.37 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 1cye h GLU 125 Cb 0.18 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1cye h GLU 125 CO -0.13 0.58 0.10 0.87 -1.00 0.00 0.00 179.01 179.43 1cye h LYS 126 N 0.72 0.44 -0.17 2.33 1.57 -1.12 -1.60 116.57 118.73 1cye h LYS 126 Ca 0.19 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1cye h LYS 126 Cb 0.05 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1cye h LYS 126 CO -0.03 0.38 0.00 1.28 -0.57 0.00 0.00 179.45 180.51 1cye n LEU 127 N -4.39 1.52 -0.72 2.94 4.77 -0.81 -4.93 117.00 115.37 1cye n LEU 127 Ca 0.01 -0.65 -0.09 0.00 -0.03 0.00 0.00 56.01 55.25 1cye n LEU 127 Cb 0.15 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1cye n LEU 127 CO 0.37 0.32 -0.09 0.61 -1.33 0.00 0.00 177.39 177.27 1cye n GLY 128 N 1.09 1.10 0.76 -0.72 0.00 -0.60 -5.06 105.19 101.75 1cye n GLY 128 Ca 0.15 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.72 1cye n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35