#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 0.71 -3.85 2.89 3.41 -1.26 -4.38 113.62 111.14 1cye n SER 2 Ca 0.00 -1.41 -0.30 0.00 -0.26 0.00 0.00 58.87 56.89 1cye n SER 2 Cb 0.00 -0.35 -0.10 0.00 -0.26 0.00 0.00 64.21 63.50 1cye n SER 2 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1cye n ASP 3 N 0.15 3.57 -0.04 4.04 8.00 -1.26 -4.92 116.55 126.08 1cye n ASP 3 Ca 0.00 -3.25 0.16 0.00 0.71 0.00 0.00 54.79 52.41 1cye n ASP 3 Cb 0.18 -0.82 0.60 0.00 -0.02 0.00 0.00 41.12 41.05 1cye n ASP 3 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1cye h LYS 4 N 5.26 0.19 -0.98 -1.24 6.56 -1.85 -2.57 116.57 121.94 1cye h LYS 4 Ca 0.16 -0.01 -0.08 0.00 -1.06 0.00 0.00 60.65 59.66 1cye h LYS 4 Cb 0.74 -0.04 -0.05 0.00 -0.57 0.00 0.00 32.23 32.31 1cye h LYS 4 CO 0.80 0.13 0.11 -0.85 -2.06 0.00 0.00 179.45 177.57 1cye n GLU 5 N -4.43 1.38 -2.62 3.15 0.00 -1.26 -0.94 120.64 115.91 1cye n GLU 5 Ca 0.10 -0.63 -0.42 0.00 0.00 0.00 0.00 57.16 56.21 1cye n GLU 5 Cb 0.49 -1.33 -0.04 0.00 0.00 0.00 0.00 31.44 30.56 1cye n GLU 5 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1cye s LEU 6 N -0.66 4.43 -0.59 -1.84 0.20 -0.97 -4.58 118.68 114.67 1cye s LEU 6 Ca 0.12 1.86 -0.25 0.00 0.69 0.00 0.00 54.13 56.54 1cye s LEU 6 Cb 0.10 -3.58 0.04 0.00 -0.43 0.00 0.00 46.19 42.31 1cye s LEU 6 CO 0.02 -0.24 1.05 -0.75 -0.29 0.00 0.00 176.35 176.15 1cye s LYS 7 N 0.43 3.34 -0.06 1.98 2.20 -1.25 -3.15 119.74 123.23 1cye s LYS 7 Ca 0.51 -0.19 -0.02 0.00 -0.36 0.00 0.00 55.97 55.91 1cye s LYS 7 Cb -0.25 -4.08 -0.04 0.00 -1.51 0.00 0.00 37.83 31.95 1cye s LYS 7 CO 0.30 -1.66 0.07 -0.06 -0.36 0.00 0.00 175.35 173.64 1cye s PHE 8 N 4.45 3.31 -0.24 4.03 0.40 0.12 -1.40 117.98 128.66 1cye s PHE 8 Ca 0.33 0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.96 1cye s PHE 8 Cb -0.11 -1.80 0.05 0.00 0.51 0.00 0.00 43.02 41.67 1cye s PHE 8 CO 0.19 0.56 -0.12 -1.17 0.70 0.00 0.00 175.22 175.38 1cye s LEU 9 N -1.28 3.19 -0.87 -0.37 0.20 -0.16 -0.35 118.68 119.05 1cye s LEU 9 Ca 0.18 -1.23 -0.23 0.00 0.69 0.00 0.00 54.13 53.54 1cye s LEU 9 Cb -0.12 -1.54 0.07 0.00 -0.43 0.00 0.00 46.19 44.17 1cye s LEU 9 CO 0.08 -0.15 1.23 -0.69 -0.29 0.00 0.00 176.35 176.52 1cye s VAL 10 N 1.15 4.18 -0.97 1.68 1.01 0.22 -0.89 120.40 126.79 1cye s VAL 10 Ca -0.06 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 1cye s VAL 10 Cb -0.18 -4.88 0.23 0.00 0.00 0.00 0.00 36.38 31.54 1cye s VAL 10 CO -0.06 -1.71 0.98 -0.69 0.00 0.00 0.00 175.10 173.61 1cye s VAL 11 N 4.31 5.63 -0.12 2.92 1.01 0.86 -0.44 120.40 134.56 1cye s VAL 11 Ca 0.35 -2.74 0.00 0.00 0.00 0.00 0.00 61.98 59.59 1cye s VAL 11 Cb -0.06 -4.58 0.02 0.00 0.00 0.00 0.00 36.38 31.76 1cye s VAL 11 CO -0.01 -1.18 -0.11 -0.62 0.00 0.00 0.00 175.10 173.18 1cye s ASP 12 N 2.05 2.39 0.55 3.32 -1.08 0.00 -1.64 116.67 122.26 1cye s ASP 12 Ca 0.26 -0.39 0.21 0.00 -0.52 0.00 0.00 52.55 52.11 1cye s ASP 12 Cb -0.09 -1.01 1.49 0.00 -1.46 0.00 0.00 42.92 41.85 1cye s ASP 12 CO -0.08 -0.07 2.19 -2.24 0.52 0.00 0.00 175.17 175.49 1cye h ASP 13 N 7.98 0.00 -3.23 -0.34 2.03 -1.65 -3.38 116.42 117.83 1cye h ASP 13 Ca -0.34 0.00 -0.73 0.00 -0.73 0.00 0.00 57.03 55.23 1cye h ASP 13 Cb 1.14 0.00 -0.22 0.00 -0.83 0.00 0.00 39.33 39.42 1cye h ASP 13 CO 0.47 0.00 -0.24 0.12 -1.03 0.00 0.00 179.24 178.56 1cye s PHE 14 N -4.89 3.21 0.33 4.15 5.36 -1.26 -4.96 117.98 119.91 1cye s PHE 14 Ca -0.05 -0.96 0.11 0.00 -0.96 0.00 0.00 56.93 55.07 1cye s PHE 14 Cb 0.16 -3.39 1.01 0.00 -0.34 0.00 0.00 43.02 40.47 1cye s PHE 14 CO 0.62 -0.90 1.60 0.77 -1.46 0.00 0.00 175.22 175.86 1cye h SER 15 N 8.83 0.04 0.14 6.13 0.02 -1.99 0.13 113.55 126.87 1cye h SER 15 Ca -0.29 0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1cye h SER 15 Cb 1.11 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.96 1cye h SER 15 CO 0.93 -0.32 -0.07 0.74 -1.14 0.00 0.00 176.83 176.98 1cye h THR 16 N 0.09 0.95 -0.46 -2.27 2.02 -1.93 -2.86 112.91 108.46 1cye h THR 16 Ca 0.70 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 67.41 1cye h THR 16 Cb 1.65 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 69.25 1cye h THR 16 CO -0.77 0.10 0.05 -0.03 0.37 0.00 0.00 175.52 175.23 1cye h MET 17 N -0.39 0.72 -0.35 6.66 -1.53 -1.54 -2.57 114.93 115.93 1cye h MET 17 Ca -0.02 -0.16 0.07 0.00 -3.44 0.00 0.00 59.70 56.15 1cye h MET 17 Cb 0.31 -0.10 -0.07 0.00 -0.55 0.00 0.00 31.60 31.19 1cye h MET 17 CO 0.03 0.70 -0.10 -0.09 0.14 0.00 0.00 176.91 177.59 1cye h ARG 18 N 0.69 -0.02 0.03 0.39 2.43 -0.68 -0.02 114.38 117.20 1cye h ARG 18 Ca 0.14 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1cye h ARG 18 Cb 0.35 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1cye h ARG 18 CO 0.01 -0.02 -0.07 -0.09 -1.51 0.00 0.00 179.97 178.29 1cye h ARG 19 N -0.02 -0.13 -0.11 0.20 2.43 -1.24 -2.54 114.38 112.97 1cye h ARG 19 Ca 0.17 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.39 1cye h ARG 19 Cb 0.28 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1cye h ARG 19 CO -0.37 -0.09 -0.14 0.82 -1.51 0.00 0.00 179.97 178.68 1cye h ILE 20 N -0.14 0.62 -0.62 1.20 2.04 -1.06 -0.69 117.51 118.86 1cye h ILE 20 Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 1cye h ILE 20 Cb 0.15 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 1cye h ILE 20 CO -0.05 0.00 0.34 0.58 0.00 0.00 0.00 178.15 179.02 1cye h VAL 21 N -0.19 0.98 -0.17 1.67 2.07 -0.90 0.40 116.25 120.11 1cye h VAL 21 Ca 0.08 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1cye h VAL 21 Cb 0.31 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1cye h VAL 21 CO -0.22 0.12 -0.06 -0.09 0.02 0.00 0.00 177.57 177.34 1cye h ARG 22 N 0.65 -0.03 -0.83 1.57 2.43 -0.88 -1.61 114.38 115.68 1cye h ARG 22 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1cye h ARG 22 Cb 0.15 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 1cye h ARG 22 CO -0.17 -0.02 0.54 -0.91 -1.51 0.00 0.00 179.97 177.90 1cye h ASN 23 N -0.03 0.97 -0.06 -3.80 4.21 -0.25 -2.11 115.58 114.51 1cye h ASN 23 Ca 0.09 -0.04 0.02 0.00 1.21 0.00 0.00 56.30 57.58 1cye h ASN 23 Cb 0.16 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.09 1cye h ASN 23 CO -0.19 0.72 -0.09 -0.07 -1.29 0.00 0.00 177.43 176.51 1cye h LEU 24 N 1.13 -0.28 -0.55 1.61 3.38 -0.37 -0.79 115.31 119.44 1cye h LEU 24 Ca 0.30 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.39 1cye h LEU 24 Cb -0.10 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1cye h LEU 24 CO -0.06 -0.13 0.25 -0.07 0.09 0.00 0.00 178.44 178.52 1cye h LEU 25 N -0.13 0.31 -0.45 1.67 3.38 -1.02 -1.39 115.31 117.68 1cye h LEU 25 Ca 0.06 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1cye h LEU 25 Cb 0.21 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1cye h LEU 25 CO -0.14 0.21 0.18 0.11 0.09 0.00 0.00 178.44 178.89 1cye h LYS 26 N 0.47 0.36 -0.88 1.13 1.79 -1.08 -0.18 116.57 118.17 1cye h LYS 26 Ca 0.26 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.72 1cye h LYS 26 Cb 0.23 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.76 1cye h LYS 26 CO -0.22 0.24 0.58 0.93 -1.08 0.00 0.00 179.45 179.90 1cye h GLU 27 N 0.37 1.15 0.00 3.15 5.08 -0.51 -0.80 114.58 123.02 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 0.18 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1cye h GLU 27 CO -0.19 0.76 0.00 1.28 -1.00 0.00 0.00 179.01 179.86 1cye n LEU 28 N -4.41 0.47 0.00 1.33 4.77 -0.58 -4.90 117.00 113.68 1cye n LEU 28 Ca 0.10 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 1cye n LEU 28 Cb 0.03 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1cye n LEU 28 CO 0.36 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 1cye n GLY 29 N 0.17 0.70 3.59 -0.72 0.00 -0.30 -5.07 105.19 103.56 1cye n GLY 29 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1cye n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cye s PHE 30 N -2.00 2.69 -0.00 1.61 0.08 -0.16 -4.73 117.98 115.47 1cye s PHE 30 Ca 0.00 0.63 -0.25 0.00 0.12 0.00 0.00 56.93 57.43 1cye s PHE 30 Cb 0.00 -4.45 -0.18 0.00 -0.57 0.00 0.00 43.02 37.82 1cye s PHE 30 CO 0.00 -1.47 1.30 -0.91 -0.10 0.00 0.00 175.22 174.05 1cye h ASN 31 N 9.58 -0.09 -3.13 1.36 -0.26 -1.29 -3.27 115.58 118.48 1cye h ASN 31 Ca -0.24 -0.34 -0.74 0.00 -0.56 0.00 0.00 56.30 54.42 1cye h ASN 31 Cb 1.07 0.02 -0.23 0.00 -1.06 0.00 0.00 38.32 38.13 1cye h ASN 31 CO 1.14 0.30 0.04 0.20 -1.06 0.00 0.00 177.43 178.05 1cye s ASN 32 N -5.46 6.34 -0.11 5.81 0.01 -1.19 -5.01 114.94 115.33 1cye s ASN 32 Ca -0.15 -1.87 -0.01 0.00 -0.71 0.00 0.00 52.86 50.12 1cye s ASN 32 Cb 0.02 -2.25 0.03 0.00 0.41 0.00 0.00 41.25 39.46 1cye s ASN 32 CO 0.63 -0.90 -0.02 0.54 -1.51 0.00 0.00 177.10 175.84 1cye s VAL 33 N 1.75 0.63 0.28 1.60 0.11 -1.26 0.16 120.40 123.67 1cye s VAL 33 Ca 0.11 -0.14 0.07 0.00 -2.93 0.00 0.00 61.98 59.10 1cye s VAL 33 Cb -0.22 -0.80 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1cye s VAL 33 CO 0.01 0.22 0.22 -1.61 -3.33 0.00 0.00 175.10 170.61 1cye s GLU 34 N 1.86 2.84 -0.10 1.54 8.01 0.53 -4.98 118.70 128.39 1cye s GLU 34 Ca 0.04 -1.14 -0.01 0.00 0.01 0.00 0.00 54.97 53.87 1cye s GLU 34 Cb -0.13 -2.52 0.03 0.00 -4.31 0.00 0.00 34.13 27.20 1cye s GLU 34 CO -0.07 0.31 -0.04 -1.83 0.01 0.00 0.00 175.26 173.64 1cye s GLU 35 N -3.88 1.15 0.32 1.61 1.03 -1.26 -0.61 118.70 117.06 1cye s GLU 35 Ca 0.35 -0.14 0.08 0.00 0.03 0.00 0.00 54.97 55.29 1cye s GLU 35 Cb -0.07 -1.40 -0.06 0.00 -0.80 0.00 0.00 34.13 31.79 1cye s GLU 35 CO 0.25 -0.30 -0.07 0.00 -1.33 0.00 0.00 175.26 173.81 1cye s ALA 36 N 1.81 2.70 -0.13 -0.84 0.00 0.41 -4.97 121.76 120.74 1cye s ALA 36 Ca 0.05 -2.03 0.02 0.00 0.00 0.00 0.00 51.96 49.99 1cye s ALA 36 Cb -0.13 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.99 1cye s ALA 36 CO -0.07 -0.01 -0.10 0.39 0.00 0.00 0.00 175.76 175.97 1cye n GLU 37 N -0.72 0.59 -4.41 0.00 1.02 -1.26 -0.82 120.64 115.05 1cye n GLU 37 Ca -0.05 0.07 -0.20 0.00 -0.02 0.00 0.00 57.16 56.96 1cye n GLU 37 Cb 0.64 -1.27 -0.10 0.00 -0.02 0.00 0.00 31.44 30.69 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 -5.17 2.26 0.16 1.62 -4.77 -1.26 -1.96 116.67 107.55 1cye s ASP 38 Ca -0.16 -1.29 -0.28 0.00 -3.30 0.00 0.00 52.55 47.52 1cye s ASP 38 Cb 0.04 -0.07 -0.00 0.00 -1.09 0.00 0.00 42.92 41.81 1cye s ASP 38 CO 0.32 -0.53 1.56 1.23 0.70 0.00 0.00 175.17 178.45 1cye h GLY 39 N 2.26 -0.61 0.54 2.12 0.00 -1.38 -1.05 103.07 104.95 1cye h GLY 39 Ca -0.40 0.63 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1cye h GLY 39 CO 0.67 -0.12 -0.44 -2.08 0.00 0.00 0.00 176.54 174.57 1cye h VAL 40 N -0.22 0.12 -0.69 4.60 2.07 -1.90 -2.05 116.25 118.18 1cye h VAL 40 Ca 0.16 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.83 1cye h VAL 40 Cb 0.55 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1cye h VAL 40 CO -0.72 0.00 0.47 0.44 0.02 0.00 0.00 177.57 177.78 1cye h ASP 41 N -0.89 0.26 0.04 0.57 5.19 -1.82 -0.15 116.42 119.62 1cye h ASP 41 Ca -0.04 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1cye h ASP 41 Cb 0.79 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.26 1cye h ASP 41 CO -0.08 0.14 -0.02 0.00 -3.12 0.00 0.00 179.24 176.16 1cye h ALA 42 N 1.67 -0.06 -0.69 3.45 0.00 -0.71 -1.58 119.26 121.34 1cye h ALA 42 Ca 0.33 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1cye h ALA 42 Cb 0.92 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1cye h ALA 42 CO -0.08 -0.39 0.43 -0.07 0.00 0.00 0.00 179.25 179.14 1cye h LEU 43 N -0.34 0.70 0.33 0.00 3.38 -0.36 0.28 115.31 119.30 1cye h LEU 43 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1cye h LEU 43 Cb 0.31 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1cye h LEU 43 CO 0.01 0.49 -0.45 0.78 0.09 0.00 0.00 178.44 179.35 1cye h ASN 44 N 0.84 -1.27 -0.87 -0.43 4.21 -1.32 -2.91 115.58 113.83 1cye h ASN 44 Ca 0.28 0.12 -0.02 0.00 1.21 0.00 0.00 56.30 57.89 1cye h ASN 44 Cb 0.03 0.44 -0.04 0.00 -1.12 0.00 0.00 38.32 37.63 1cye h ASN 44 CO -0.11 -0.57 0.47 0.50 -1.29 0.00 0.00 177.43 176.42 1cye h LYS 45 N -0.83 1.22 -0.88 0.81 3.64 -0.82 -2.70 116.57 117.01 1cye h LYS 45 Ca -0.03 -0.15 0.13 0.00 -1.27 0.00 0.00 60.65 59.34 1cye h LYS 45 Cb 0.77 -0.24 -0.07 0.00 -0.41 0.00 0.00 32.23 32.28 1cye h LYS 45 CO -0.13 0.90 0.57 1.25 -2.27 0.00 0.00 179.45 179.76 1cye h LEU 46 N 1.22 0.68 -0.03 5.20 5.85 -0.36 -1.15 115.31 126.73 1cye h LEU 46 Ca 0.31 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1cye h LEU 46 Cb 0.04 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1cye h LEU 46 CO -0.05 0.36 0.00 0.00 -0.34 0.00 0.00 178.44 178.41 1cye n GLN 47 N -4.55 0.01 0.00 1.25 6.02 -1.02 -3.64 117.38 115.45 1cye n GLN 47 Ca 0.16 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 1cye n GLN 47 Cb 0.42 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.17 1cye n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cye n ALA 48 N -1.51 2.16 0.00 -1.58 0.00 -0.43 -4.73 120.51 114.42 1cye n ALA 48 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1cye n ALA 48 Cb 0.15 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1cye n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cye n GLY 49 N 0.18 1.52 0.51 0.00 0.00 -1.24 -5.05 105.19 101.11 1cye n GLY 49 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.11 0.00 3.49 -0.02 0.00 -1.26 -4.92 105.19 102.59 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 0.00 2.83 -0.28 1.61 1.51 -1.26 -4.78 117.35 116.98 1cye s TYR 51 Ca 0.00 -0.27 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1cye s TYR 51 Cb 0.00 -4.00 0.00 0.00 -0.11 0.00 0.00 41.96 37.85 1cye s TYR 51 CO 0.00 -1.35 0.76 0.41 -1.11 0.00 0.00 175.55 174.26 1cye n GLY 52 N 5.18 1.64 3.65 0.71 0.00 -0.49 -4.64 105.19 111.24 1cye n GLY 52 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.19 -0.07 -0.18 1.61 2.19 -1.07 -4.51 117.98 115.76 1cye s PHE 53 Ca 0.00 0.14 0.00 0.00 0.33 0.00 0.00 56.93 57.40 1cye s PHE 53 Cb 0.00 0.11 0.04 0.00 -1.31 0.00 0.00 43.02 41.86 1cye s PHE 53 CO 0.00 -0.03 -0.08 0.08 1.83 0.00 0.00 175.22 177.02 1cye s VAL 54 N 0.89 1.39 -0.46 3.12 1.01 0.16 -0.99 120.40 125.51 1cye s VAL 54 Ca -0.06 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.00 1cye s VAL 54 Cb -0.03 -1.51 0.11 0.00 0.00 0.00 0.00 36.38 34.95 1cye s VAL 54 CO -0.11 0.16 0.34 -0.63 0.00 0.00 0.00 175.10 174.86 1cye s ILE 55 N 1.51 4.30 -0.07 2.22 1.01 -0.07 -0.42 121.20 129.69 1cye s ILE 55 Ca -0.00 -1.67 0.05 0.00 0.00 0.00 0.00 60.65 59.03 1cye s ILE 55 Cb -0.16 -3.78 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 1cye s ILE 55 CO -0.08 -0.72 -0.25 -0.55 0.00 0.00 0.00 174.94 173.34 1cye s SER 56 N 2.62 3.08 0.21 3.58 0.15 0.10 -0.10 113.70 123.33 1cye s SER 56 Ca 0.05 -0.53 -0.30 0.00 0.70 0.00 0.00 55.95 55.87 1cye s SER 56 Cb -0.26 -1.04 -0.08 0.00 -1.71 0.00 0.00 66.02 62.93 1cye s SER 56 CO 0.00 0.21 1.15 -1.81 1.20 0.00 0.00 173.24 174.00 1cye s ASP 57 N 0.02 7.16 0.13 5.45 1.01 -0.65 0.02 116.67 129.81 1cye s ASP 57 Ca -0.09 2.21 -0.19 0.00 0.71 0.00 0.00 52.55 55.19 1cye s ASP 57 Cb -0.15 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.15 1cye s ASP 57 CO 0.06 -0.29 1.72 -0.25 0.21 0.00 0.00 175.17 176.62 1cye h TRP 58 N 4.87 0.00 -2.92 4.23 2.91 -1.12 -3.03 115.95 120.90 1cye h TRP 58 Ca -0.45 0.02 -0.67 0.00 1.13 0.00 0.00 58.89 58.91 1cye h TRP 58 Cb 1.21 0.03 -0.18 0.00 -0.51 0.00 0.00 29.16 29.72 1cye h TRP 58 CO 0.61 -0.02 0.25 1.21 -1.03 0.00 0.00 178.44 179.46 1cye s ASN 59 N -5.25 6.20 -0.06 2.65 2.47 -1.26 -0.96 114.94 118.72 1cye s ASN 59 Ca -0.13 -1.15 0.00 0.00 0.42 0.00 0.00 52.86 52.00 1cye s ASN 59 Cb 0.10 -2.34 0.02 0.00 -1.45 0.00 0.00 41.25 37.59 1cye s ASN 59 CO 0.69 -1.17 -0.04 -0.04 -3.72 0.00 0.00 177.10 172.82 1cye s MET 60 N 3.13 0.89 0.63 0.43 -1.94 -1.26 -4.63 119.30 116.56 1cye s MET 60 Ca 0.16 -0.07 -0.18 0.00 -1.71 0.00 0.00 55.69 53.90 1cye s MET 60 Cb -0.21 -1.00 -0.03 0.00 2.01 0.00 0.00 34.83 35.60 1cye s MET 60 CO 0.09 -0.17 0.97 -2.30 -0.01 0.00 0.00 175.02 173.60 1cye n PRO 61 N 4.51 0.80 0.00 2.03 -0.02 -1.26 -2.77 135.00 138.29 1cye n PRO 61 Ca -0.17 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1cye n PRO 61 Cb 0.50 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1cye n PRO 61 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1cye n ASN 62 N -1.02 0.00 -3.90 2.55 2.85 -1.26 -4.43 115.26 110.05 1cye n ASN 62 Ca 0.14 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.31 1cye n ASN 62 Cb 0.48 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.34 1cye n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 1cye s MET 63 N 0.00 1.44 1.04 1.20 1.75 -1.25 -5.04 119.30 118.44 1cye s MET 63 Ca 0.00 -0.94 -0.12 0.00 -1.25 0.00 0.00 55.69 53.38 1cye s MET 63 Cb 0.00 -2.51 0.21 0.00 2.84 0.00 0.00 34.83 35.37 1cye s MET 63 CO 0.00 -0.63 1.07 0.16 -0.65 0.00 0.00 175.02 174.97 1cye s ASP 64 N 1.45 2.12 0.16 1.11 1.47 -1.11 -1.23 116.67 120.64 1cye s ASP 64 Ca -0.04 1.52 -0.17 0.00 1.18 0.00 0.00 52.55 55.04 1cye s ASP 64 Cb -0.19 -2.20 0.08 0.00 -0.34 0.00 0.00 42.92 40.27 1cye s ASP 64 CO -0.07 -3.49 1.71 1.23 0.68 0.00 0.00 175.17 175.22 1cye h GLY 65 N -2.14 0.37 1.03 2.12 0.00 -0.92 -1.30 103.07 102.23 1cye h GLY 65 Ca -0.55 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 1cye h GLY 65 CO 0.52 -0.07 0.51 -2.00 0.00 0.00 0.00 176.54 175.50 1cye h LEU 66 N 0.12 1.13 -0.65 3.11 5.85 -1.85 0.04 115.31 123.06 1cye h LEU 66 Ca 0.17 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1cye h LEU 66 Cb 0.23 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1cye h LEU 66 CO -0.28 0.90 0.25 -0.33 -0.34 0.00 0.00 178.44 178.64 1cye h GLU 67 N 1.27 0.98 -0.02 1.25 5.08 -1.72 -2.31 114.58 119.12 1cye h GLU 67 Ca 0.32 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1cye h GLU 67 Cb 0.01 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 1cye h GLU 67 CO -0.05 0.83 0.01 1.25 -1.00 0.00 0.00 179.01 180.04 1cye h LEU 68 N 0.92 0.02 -0.64 1.33 5.85 -0.67 -0.40 115.31 121.73 1cye h LEU 68 Ca 0.22 -0.04 0.13 0.00 0.84 0.00 0.00 57.88 59.02 1cye h LEU 68 Cb 0.22 -0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.13 1cye h LEU 68 CO -0.02 0.06 -0.20 0.25 -0.34 0.00 0.00 178.44 178.19 1cye h LEU 69 N -0.02 -0.71 -0.27 2.25 6.46 -0.77 -1.65 115.31 120.60 1cye h LEU 69 Ca 0.01 0.20 -0.02 0.00 -0.12 0.00 0.00 57.88 57.95 1cye h LEU 69 Cb 0.04 0.44 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 1cye h LEU 69 CO -0.00 -0.24 0.09 0.11 -0.62 0.00 0.00 178.44 177.79 1cye h LYS 70 N -0.04 0.41 -0.04 1.25 1.57 -1.01 -1.43 116.57 117.28 1cye h LYS 70 Ca 0.30 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1cye h LYS 70 Cb 0.49 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1cye h LYS 70 CO -0.67 0.46 0.05 1.79 -0.57 0.00 0.00 179.45 180.50 1cye h THR 71 N 0.27 0.51 0.00 -0.16 1.35 -0.20 0.12 112.91 114.80 1cye h THR 71 Ca 0.09 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.93 1cye h THR 71 Cb 0.21 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1cye h THR 71 CO -0.00 0.00 -0.26 0.40 -0.25 0.00 0.00 175.52 175.40 1cye h ILE 72 N 0.00 0.28 -0.67 6.82 2.04 -0.93 -3.26 117.51 121.79 1cye h ILE 72 Ca 0.02 -1.25 0.14 0.00 1.00 0.00 0.00 64.86 64.77 1cye h ILE 72 Cb 0.11 0.57 -0.10 0.00 -0.74 0.00 0.00 36.82 36.66 1cye h ILE 72 CO -0.00 0.10 0.11 0.03 0.00 0.00 0.00 178.15 178.38 1cye h ARG 73 N -1.00 0.21 0.00 2.37 2.47 -0.92 -0.24 114.38 117.28 1cye h ARG 73 Ca -0.03 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1cye h ARG 73 Cb 0.38 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 1cye h ARG 73 CO -0.02 0.14 0.00 0.00 0.56 0.00 0.00 179.97 180.65 1cye h ALA 74 N 1.57 1.00 -1.39 0.04 0.00 -0.99 -3.40 119.26 116.09 1cye h ALA 74 Ca 0.37 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.68 1cye h ALA 74 Cb 0.60 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.28 1cye h ALA 74 CO -0.50 0.00 1.12 0.34 0.00 0.00 0.00 179.25 180.21 1cye s ASP 75 N -5.70 6.36 0.01 0.00 -1.08 -0.11 -4.93 116.67 111.22 1cye s ASP 75 Ca 0.06 -1.13 -0.01 0.00 -0.52 0.00 0.00 52.55 50.94 1cye s ASP 75 Cb 0.07 -2.52 -0.00 0.00 -1.46 0.00 0.00 42.92 39.01 1cye s ASP 75 CO 0.61 -1.55 0.08 0.61 0.52 0.00 0.00 175.17 175.45 1cye n GLY 76 N 5.96 -0.16 0.18 2.66 0.00 -1.26 -0.20 105.19 112.37 1cye n GLY 76 Ca 0.16 0.06 -0.07 0.00 0.00 0.00 0.00 46.02 46.17 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 0.01 0.52 0.08 4.61 0.00 -1.93 -3.28 119.26 119.27 1cye h ALA 77 Ca 0.01 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1cye h ALA 77 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1cye h ALA 77 CO -0.04 -0.07 -1.67 0.52 0.00 0.00 0.00 179.25 177.99 1cye h MET 78 N 0.50 0.16 0.00 0.00 2.86 -1.29 -3.46 114.93 113.71 1cye h MET 78 Ca 0.16 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1cye h MET 78 Cb -0.00 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1cye h MET 78 CO -0.07 0.94 0.00 0.45 1.06 0.00 0.00 176.91 179.29 1cye n SER 79 N -3.33 0.00 -0.90 1.22 2.88 0.72 -2.54 113.62 111.67 1cye n SER 79 Ca -0.19 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.34 1cye n SER 79 Cb 1.04 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.53 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 0.00 2.75 -2.64 -1.46 0.00 -1.26 -3.92 120.51 113.98 1cye n ALA 80 Ca 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 1cye n ALA 80 Cb 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.34 4.06 0.09 0.00 1.43 -1.05 -4.98 118.68 117.89 1cye s LEU 81 Ca 0.06 1.07 -0.35 0.00 -1.03 0.00 0.00 54.13 53.89 1cye s LEU 81 Cb 0.05 -3.32 -0.14 0.00 0.03 0.00 0.00 46.19 42.80 1cye s LEU 81 CO 0.02 -0.63 1.57 -0.81 0.23 0.00 0.00 176.35 176.72 1cye n PRO 82 N 6.27 1.88 -4.03 1.29 -0.04 -1.26 -4.79 135.00 134.32 1cye n PRO 82 Ca 0.08 0.68 -0.34 0.00 -0.04 0.00 0.00 63.50 63.88 1cye n PRO 82 Cb 0.47 -2.43 -0.15 0.00 -0.04 0.00 0.00 33.50 31.35 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 1.32 2.62 -0.35 0.52 1.01 -1.26 -0.67 120.40 123.59 1cye s VAL 83 Ca 0.83 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.98 1cye s VAL 83 Cb -0.76 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 33.51 1cye s VAL 83 CO 0.43 0.48 0.13 -0.22 0.00 0.00 0.00 175.10 175.93 1cye s LEU 84 N 1.37 4.47 -0.40 3.92 2.96 0.44 -1.44 118.68 130.00 1cye s LEU 84 Ca 0.05 -1.16 -0.24 0.00 -0.22 0.00 0.00 54.13 52.57 1cye s LEU 84 Cb -0.14 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.67 1cye s LEU 84 CO -0.09 -0.36 0.81 -0.04 -1.32 0.00 0.00 176.35 175.35 1cye s MET 85 N 1.42 3.62 -0.57 1.98 -1.94 -0.07 -0.72 119.30 123.03 1cye s MET 85 Ca -0.01 0.17 -0.20 0.00 -1.71 0.00 0.00 55.69 53.94 1cye s MET 85 Cb -0.20 -3.87 0.07 0.00 2.01 0.00 0.00 34.83 32.85 1cye s MET 85 CO 0.03 -0.99 0.74 0.08 -0.01 0.00 0.00 175.02 174.88 1cye s VAL 86 N 3.26 4.71 -0.12 -6.03 1.01 0.10 -0.52 120.40 122.81 1cye s VAL 86 Ca 0.32 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1cye s VAL 86 Cb -0.12 -4.46 -0.01 0.00 0.00 0.00 0.00 36.38 31.79 1cye s VAL 86 CO 0.20 -1.06 -0.16 0.28 0.00 0.00 0.00 175.10 174.35 1cye s THR 87 N 3.03 2.78 0.32 3.92 -1.32 -0.62 -0.45 115.64 123.30 1cye s THR 87 Ca 0.16 -0.76 0.10 0.00 -1.21 0.00 0.00 61.69 59.98 1cye s THR 87 Cb -0.20 -2.14 0.32 0.00 -1.51 0.00 0.00 72.50 68.97 1cye s THR 87 CO 0.10 0.54 1.68 0.00 -2.21 0.00 0.00 174.62 174.73 1cye h ALA 88 N 6.67 1.74 -2.99 11.08 0.00 -1.85 -1.92 119.26 131.99 1cye h ALA 88 Ca -0.24 0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1cye h ALA 88 Cb 1.22 0.13 -0.22 0.00 0.00 0.00 0.00 17.79 18.93 1cye h ALA 88 CO 0.53 -0.44 -0.62 -2.00 0.00 0.00 0.00 179.25 176.72 1cye s GLU 89 N -5.76 0.33 -1.18 0.00 2.56 -1.26 -3.82 118.70 109.57 1cye s GLU 89 Ca -0.11 -0.44 -0.21 0.00 0.00 0.00 0.00 54.97 54.22 1cye s GLU 89 Cb 0.28 0.13 0.03 0.00 2.00 0.00 0.00 34.13 36.57 1cye s GLU 89 CO 0.79 -0.07 1.72 0.00 -0.56 0.00 0.00 175.26 177.14 1cye s ALA 90 N -1.22 2.77 -0.39 6.30 0.00 -1.26 -4.93 121.76 123.02 1cye s ALA 90 Ca -0.13 -2.51 -0.20 0.00 0.00 0.00 0.00 51.96 49.12 1cye s ALA 90 Cb -0.08 -4.62 0.01 0.00 0.00 0.00 0.00 23.12 18.44 1cye s ALA 90 CO -0.00 -3.83 0.58 0.15 0.00 0.00 0.00 175.76 172.66 1cye s LYS 91 N 5.02 3.44 0.15 0.00 1.02 -1.26 -5.02 119.74 123.09 1cye s LYS 91 Ca 0.56 -0.27 -0.16 0.00 0.02 0.00 0.00 55.97 56.12 1cye s LYS 91 Cb 0.01 -3.88 0.10 0.00 -0.52 0.00 0.00 37.83 33.54 1cye s LYS 91 CO 0.04 -0.83 1.13 1.63 -0.92 0.00 0.00 175.35 176.39 1cye n LYS 92 N 6.00 -0.22 -0.28 1.68 4.76 -1.26 -1.05 118.16 127.79 1cye n LYS 92 Ca -0.03 1.11 0.02 0.00 -2.87 0.00 0.00 58.31 56.54 1cye n LYS 92 Cb 0.48 -1.65 0.15 0.00 -1.84 0.00 0.00 35.03 32.17 1cye n LYS 92 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1cye h GLU 93 N 0.00 0.74 -0.20 1.97 -0.00 -2.00 -1.14 114.58 113.94 1cye h GLU 93 Ca 0.21 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.36 59.52 1cye h GLU 93 Cb 0.39 -0.17 -0.01 0.00 -0.00 0.00 0.00 28.75 28.97 1cye h GLU 93 CO -0.71 0.49 0.09 -0.91 -0.00 0.00 0.00 179.01 177.97 1cye h ASN 94 N 0.76 0.27 -0.12 3.06 4.21 -1.51 -2.32 115.58 119.94 1cye h ASN 94 Ca 0.37 -0.14 0.02 0.00 1.21 0.00 0.00 56.30 57.77 1cye h ASN 94 Cb 0.31 -0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.42 1cye h ASN 94 CO -0.23 0.33 -0.00 0.40 -1.29 0.00 0.00 177.43 176.63 1cye h ILE 95 N 0.19 0.91 0.07 2.81 1.08 -0.53 0.11 117.51 122.15 1cye h ILE 95 Ca 0.07 -0.01 -0.00 0.00 -0.39 0.00 0.00 64.86 64.52 1cye h ILE 95 Cb 0.14 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 1cye h ILE 95 CO -0.01 0.01 -0.03 0.40 -0.69 0.00 0.00 178.15 177.83 1cye h ILE 96 N 0.04 0.94 -0.46 -0.67 2.04 -1.14 -1.98 117.51 116.27 1cye h ILE 96 Ca 0.06 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 65.95 1cye h ILE 96 Cb 0.07 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1cye h ILE 96 CO -0.10 0.00 0.21 0.00 0.00 0.00 0.00 178.15 178.26 1cye h ALA 97 N 0.84 0.57 0.12 1.87 0.00 -1.12 -1.60 119.26 119.95 1cye h ALA 97 Ca -0.01 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1cye h ALA 97 Cb 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1cye h ALA 97 CO 0.02 -0.16 -0.36 0.00 0.00 0.00 0.00 179.25 178.75 1cye h ALA 98 N 1.27 -0.62 -0.16 0.00 0.00 -0.50 -1.41 119.26 117.84 1cye h ALA 98 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1cye h ALA 98 Cb 0.15 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1cye h ALA 98 CO -0.17 -0.91 0.10 0.00 0.00 0.00 0.00 179.25 178.28 1cye h ALA 99 N 0.01 0.21 -0.86 0.00 0.00 -1.03 -0.99 119.26 116.60 1cye h ALA 99 Ca 0.03 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1cye h ALA 99 Cb 0.62 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1cye h ALA 99 CO -0.21 -0.30 0.56 1.96 0.00 0.00 0.00 179.25 181.26 1cye h GLN 100 N 0.21 0.85 0.00 0.00 4.20 -1.05 -1.85 115.11 117.47 1cye h GLN 100 Ca 0.06 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1cye h GLN 100 Cb -0.00 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1cye h GLN 100 CO -0.01 0.56 0.00 0.00 -0.67 0.00 0.00 178.83 178.71 1cye h ALA 101 N 1.56 1.00 0.00 3.87 0.00 -1.00 -3.48 119.26 121.21 1cye h ALA 101 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1cye h ALA 101 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1cye h ALA 101 CO -0.15 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.51 1cye n GLY 102 N 1.22 1.59 3.58 0.00 0.00 -0.70 -4.63 105.19 106.26 1cye n GLY 102 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 2.65 0.57 4.61 0.00 -0.40 -4.56 121.76 122.63 1cye s ALA 103 Ca 0.00 -0.19 0.26 0.00 0.00 0.00 0.00 51.96 52.03 1cye s ALA 103 Cb 0.00 -4.11 1.55 0.00 0.00 0.00 0.00 23.12 20.56 1cye s ALA 103 CO 0.00 -3.06 2.09 0.77 0.00 0.00 0.00 175.76 175.56 1cye h SER 104 N 13.12 0.00 -5.55 0.00 0.02 -1.57 -3.41 113.55 116.16 1cye h SER 104 Ca -0.30 0.00 0.29 0.00 -0.84 0.00 0.00 61.79 60.94 1cye h SER 104 Cb 1.15 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.57 1cye h SER 104 CO 1.12 0.00 0.75 -0.83 -1.14 0.00 0.00 176.83 176.73 1cye s GLY 105 N -4.02 -0.37 -0.02 -3.77 0.00 -0.64 -4.39 107.32 94.10 1cye s GLY 105 Ca -0.05 0.65 -0.03 0.00 0.00 0.00 0.00 44.72 45.29 1cye s GLY 105 CO 0.61 0.13 0.09 -2.52 0.00 0.00 0.00 173.10 171.40 1cye s TYR 106 N -2.61 -0.05 -0.07 1.90 -0.85 -1.26 -0.89 117.35 113.52 1cye s TYR 106 Ca 0.13 0.12 0.03 0.00 -0.52 0.00 0.00 57.07 56.84 1cye s TYR 106 Cb 0.03 0.00 0.01 0.00 0.38 0.00 0.00 41.96 42.38 1cye s TYR 106 CO -0.03 -0.09 -0.17 0.54 -1.52 0.00 0.00 175.55 174.28 1cye s VAL 107 N -0.29 1.47 -0.09 -3.49 0.11 0.32 -4.88 120.40 113.55 1cye s VAL 107 Ca -0.03 -0.69 -0.30 0.00 -2.93 0.00 0.00 61.98 58.03 1cye s VAL 107 Cb -0.02 -1.29 -0.01 0.00 -1.53 0.00 0.00 36.38 33.52 1cye s VAL 107 CO 0.00 0.43 1.01 0.54 -3.33 0.00 0.00 175.10 173.75 1cye s VAL 108 N 0.40 4.77 -0.11 2.04 0.11 -1.26 -1.59 120.40 124.77 1cye s VAL 108 Ca -0.13 2.03 -0.18 0.00 -2.93 0.00 0.00 61.98 60.77 1cye s VAL 108 Cb -0.15 -4.30 -0.04 0.00 -1.53 0.00 0.00 36.38 30.35 1cye s VAL 108 CO 0.05 0.02 0.49 -0.75 -3.33 0.00 0.00 175.10 171.58 1cye s LYS 109 N 1.89 4.33 0.39 1.54 2.20 -0.72 -3.21 119.74 126.16 1cye s LYS 109 Ca 0.49 0.48 -0.22 0.00 -0.36 0.00 0.00 55.97 56.36 1cye s LYS 109 Cb -0.19 -3.42 -0.11 0.00 -1.51 0.00 0.00 37.83 32.60 1cye s LYS 109 CO 0.19 0.18 0.93 -1.25 -0.36 0.00 0.00 175.35 175.05 1cye s PRO 110 N 0.53 4.31 0.13 4.03 0.04 -1.26 -4.56 135.00 138.22 1cye s PRO 110 Ca 0.27 1.15 0.05 0.00 0.04 0.00 0.00 61.00 62.51 1cye s PRO 110 Cb -0.15 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 1cye s PRO 110 CO 0.11 0.07 -0.12 -0.59 0.04 0.00 0.00 177.00 176.51 1cye s PHE 111 N -2.01 1.33 0.49 0.56 -0.71 -1.20 -5.15 117.98 111.30 1cye s PHE 111 Ca 0.58 -0.62 0.07 0.00 -1.04 0.00 0.00 56.93 55.91 1cye s PHE 111 Cb -0.12 -0.69 0.01 0.00 -1.21 0.00 0.00 43.02 41.01 1cye s PHE 111 CO 0.16 0.12 0.39 0.95 -1.34 0.00 0.00 175.22 175.50 1cye s THR 112 N -2.55 2.07 0.31 -4.49 -4.23 -1.26 -4.93 115.64 100.55 1cye s THR 112 Ca 0.11 -1.45 0.03 0.00 -1.18 0.00 0.00 61.69 59.21 1cye s THR 112 Cb -0.02 -2.52 0.29 0.00 1.34 0.00 0.00 72.50 71.59 1cye s THR 112 CO 0.02 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 175.96 1cye h ALA 113 N 0.89 1.60 -0.15 3.99 0.00 -1.99 0.13 119.26 123.73 1cye h ALA 113 Ca -0.39 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1cye h ALA 113 Cb 1.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1cye h ALA 113 CO 0.58 0.17 -0.01 0.00 0.00 0.00 0.00 179.25 179.99 1cye h ALA 114 N 1.55 0.21 -0.37 0.00 0.00 -1.96 0.54 119.26 119.22 1cye h ALA 114 Ca 0.47 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1cye h ALA 114 Cb 0.49 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1cye h ALA 114 CO -0.23 -0.07 0.21 1.15 0.00 0.00 0.00 179.25 180.31 1cye h THR 115 N 0.00 1.14 -0.13 0.00 2.02 -1.77 -0.77 112.91 113.40 1cye h THR 115 Ca 0.04 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 66.92 1cye h THR 115 Cb 0.41 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1cye h THR 115 CO 0.01 0.14 -0.08 0.25 0.37 0.00 0.00 175.52 176.21 1cye h LEU 116 N 0.48 -0.25 -0.32 2.58 5.85 -0.60 -1.71 115.31 121.32 1cye h LEU 116 Ca 0.13 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.96 1cye h LEU 116 Cb 0.04 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1cye h LEU 116 CO -0.02 -0.11 0.03 -0.08 -0.34 0.00 0.00 178.44 177.92 1cye h GLU 117 N -0.07 0.13 -0.45 1.25 4.81 -0.48 -0.14 114.58 119.62 1cye h GLU 117 Ca 0.08 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1cye h GLU 117 Cb 0.19 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 1cye h GLU 117 CO -0.18 0.08 0.17 0.93 -0.73 0.00 0.00 179.01 179.28 1cye h GLU 118 N 0.13 0.33 -0.60 1.92 4.39 -0.67 -1.97 114.58 118.11 1cye h GLU 118 Ca 0.16 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.79 1cye h GLU 118 Cb 0.19 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 1cye h GLU 118 CO -0.24 0.22 0.19 0.87 -1.16 0.00 0.00 179.01 178.90 1cye h LYS 119 N 0.34 0.92 -0.23 2.33 6.56 -0.56 -2.92 116.57 123.00 1cye h LYS 119 Ca 0.21 -0.19 0.05 0.00 -1.06 0.00 0.00 60.65 59.66 1cye h LYS 119 Cb 0.21 -0.13 -0.06 0.00 -0.57 0.00 0.00 32.23 31.67 1cye h LYS 119 CO -0.21 0.82 -0.12 -0.07 -2.06 0.00 0.00 179.45 177.80 1cye h LEU 120 N 0.84 -0.41 -0.38 2.94 3.38 -0.53 -2.39 115.31 118.77 1cye h LEU 120 Ca 0.19 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.34 1cye h LEU 120 Cb 0.28 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.16 1cye h LEU 120 CO -0.01 -0.16 -0.22 0.78 0.09 0.00 0.00 178.44 178.93 1cye h ASN 121 N -0.10 -0.74 -0.52 -0.43 2.35 -1.19 -1.94 115.58 113.01 1cye h ASN 121 Ca 0.13 0.16 0.09 0.00 -0.55 0.00 0.00 56.30 56.12 1cye h ASN 121 Cb 0.29 0.38 -0.07 0.00 0.05 0.00 0.00 38.32 38.97 1cye h ASN 121 CO -0.30 -0.25 0.13 0.50 -1.65 0.00 0.00 177.43 175.86 1cye h LYS 122 N -0.16 0.27 0.01 0.81 3.64 -1.31 -2.54 116.57 117.29 1cye h LYS 122 Ca 0.19 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1cye h LYS 122 Cb 0.45 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1cye h LYS 122 CO -0.48 0.18 -0.10 0.82 -2.27 0.00 0.00 179.45 177.60 1cye h ILE 123 N 0.27 0.74 -0.93 2.00 2.04 -0.88 -2.17 117.51 118.58 1cye h ILE 123 Ca 0.26 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.21 1cye h ILE 123 Cb 0.35 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 37.10 1cye h ILE 123 CO -0.32 0.00 0.60 -0.26 0.00 0.00 0.00 178.15 178.17 1cye h PHE 124 N -0.18 1.05 -0.17 1.37 0.04 -1.04 -1.17 116.94 116.83 1cye h PHE 124 Ca 0.04 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 1cye h PHE 124 Cb 0.23 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 1cye h PHE 124 CO -0.16 0.51 0.09 0.93 -0.60 0.00 0.00 178.31 179.08 1cye h GLU 125 N 1.00 0.24 -0.91 1.51 4.39 -1.13 -0.52 114.58 119.16 1cye h GLU 125 Ca 0.42 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.13 1cye h GLU 125 Cb 0.31 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 1cye h GLU 125 CO -0.18 0.26 0.58 0.87 -1.16 0.00 0.00 179.01 179.38 1cye h LYS 126 N 0.17 1.08 -0.22 2.33 1.57 -0.73 -1.50 116.57 119.27 1cye h LYS 126 Ca 0.06 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1cye h LYS 126 Cb 0.09 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1cye h LYS 126 CO -0.01 0.71 0.00 1.28 -0.57 0.00 0.00 179.45 180.86 1cye n LEU 127 N -4.53 0.22 -1.16 2.94 7.99 -0.53 -4.81 117.00 117.12 1cye n LEU 127 Ca 0.12 -0.11 -0.13 0.00 -0.01 0.00 0.00 56.01 55.88 1cye n LEU 127 Cb 0.12 -0.11 -0.04 0.00 -0.11 0.00 0.00 43.42 43.28 1cye n LEU 127 CO 0.33 0.06 -0.14 0.61 -1.51 0.00 0.00 177.39 176.74 1cye n GLY 128 N 0.17 0.85 0.65 -0.72 0.00 -0.56 -5.05 105.19 100.53 1cye n GLY 128 Ca 0.00 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.71 1cye n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35