#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 3.28 0.21 2.89 3.41 -1.26 -4.76 113.62 117.39 1cye n SER 2 Ca 0.00 -2.72 0.07 0.00 -0.26 0.00 0.00 58.87 55.96 1cye n SER 2 Cb 0.00 -1.73 0.47 0.00 -0.26 0.00 0.00 64.21 62.69 1cye n SER 2 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1cye h ASP 3 N 9.40 0.00 0.00 4.04 3.04 -1.98 -3.47 116.42 127.45 1cye h ASP 3 Ca 0.25 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.04 1cye h ASP 3 Cb 0.92 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.21 1cye h ASP 3 CO 1.27 0.28 0.00 0.29 -2.04 0.00 0.00 179.24 179.04 1cye n LYS 4 N -3.69 0.00 -3.93 4.15 5.02 -1.26 -4.75 118.16 113.71 1cye n LYS 4 Ca -0.01 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.98 1cye n LYS 4 Cb 0.39 -0.75 -0.14 0.00 -0.02 0.00 0.00 35.03 34.51 1cye n LYS 4 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1cye s GLU 5 N 0.00 1.92 -0.08 1.97 8.01 -1.26 -3.07 118.70 126.19 1cye s GLU 5 Ca 0.00 -2.58 -0.03 0.00 0.01 0.00 0.00 54.97 52.37 1cye s GLU 5 Cb 0.00 -3.23 0.04 0.00 -4.31 0.00 0.00 34.13 26.63 1cye s GLU 5 CO 0.00 -1.12 0.17 -1.17 0.01 0.00 0.00 175.26 173.16 1cye s LEU 6 N -0.25 0.53 -0.40 1.80 0.20 -1.26 -5.07 118.68 114.21 1cye s LEU 6 Ca 0.17 0.36 -0.27 0.00 0.69 0.00 0.00 54.13 55.08 1cye s LEU 6 Cb -0.26 0.44 0.02 0.00 -0.43 0.00 0.00 46.19 45.97 1cye s LEU 6 CO -0.00 -0.17 1.02 -0.54 -0.29 0.00 0.00 176.35 176.38 1cye s LYS 7 N 1.36 3.81 -0.15 1.98 1.02 -1.25 -4.18 119.74 122.32 1cye s LYS 7 Ca -0.08 0.62 -0.06 0.00 0.02 0.00 0.00 55.97 56.48 1cye s LYS 7 Cb -0.11 -3.84 -0.04 0.00 -0.52 0.00 0.00 37.83 33.32 1cye s LYS 7 CO -0.07 -1.11 0.05 -0.06 -0.92 0.00 0.00 175.35 173.24 1cye s PHE 8 N 3.86 3.26 -0.43 3.18 0.08 -0.05 -1.37 117.98 126.50 1cye s PHE 8 Ca 0.43 0.12 -0.04 0.00 0.12 0.00 0.00 56.93 57.55 1cye s PHE 8 Cb -0.10 -2.00 0.11 0.00 -0.57 0.00 0.00 43.02 40.46 1cye s PHE 8 CO 0.23 0.27 0.24 -1.17 -0.10 0.00 0.00 175.22 174.68 1cye s LEU 9 N -0.03 5.34 -0.63 -0.37 1.98 -0.69 -0.14 118.68 124.14 1cye s LEU 9 Ca 0.06 -2.03 -0.28 0.00 -2.89 0.00 0.00 54.13 48.99 1cye s LEU 9 Cb -0.12 -1.86 0.03 0.00 0.66 0.00 0.00 46.19 44.89 1cye s LEU 9 CO 0.01 -0.57 1.29 -0.69 -1.89 0.00 0.00 176.35 174.50 1cye s VAL 10 N 1.15 3.85 -0.82 1.68 1.01 -0.08 -1.06 120.40 126.13 1cye s VAL 10 Ca 0.08 0.67 -0.13 0.00 0.00 0.00 0.00 61.98 62.59 1cye s VAL 10 Cb -0.23 -4.71 0.22 0.00 0.00 0.00 0.00 36.38 31.65 1cye s VAL 10 CO -0.04 -1.47 0.75 -0.69 0.00 0.00 0.00 175.10 173.65 1cye s VAL 11 N 5.58 5.49 -0.09 2.92 1.01 0.14 -0.52 120.40 134.93 1cye s VAL 11 Ca 0.43 -2.51 -0.00 0.00 0.00 0.00 0.00 61.98 59.89 1cye s VAL 11 Cb -0.08 -4.40 0.02 0.00 0.00 0.00 0.00 36.38 31.92 1cye s VAL 11 CO 0.22 -1.02 -0.04 -0.62 0.00 0.00 0.00 175.10 173.63 1cye s ASP 12 N 2.05 1.79 0.48 3.32 -1.08 -0.13 -0.81 116.67 122.30 1cye s ASP 12 Ca 0.18 -0.20 0.15 0.00 -0.52 0.00 0.00 52.55 52.17 1cye s ASP 12 Cb -0.11 -0.64 1.15 0.00 -1.46 0.00 0.00 42.92 41.86 1cye s ASP 12 CO -0.09 -0.13 2.07 -2.24 0.52 0.00 0.00 175.17 175.30 1cye h ASP 13 N 8.06 0.00 -3.76 -0.34 2.03 -1.60 -3.40 116.42 117.41 1cye h ASP 13 Ca -0.27 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.40 1cye h ASP 13 Cb 1.13 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.48 1cye h ASP 13 CO 0.36 0.09 -0.42 0.12 -1.03 0.00 0.00 179.24 178.37 1cye s PHE 14 N -4.85 3.26 0.18 4.15 2.19 -1.26 -5.01 117.98 116.64 1cye s PHE 14 Ca -0.04 0.26 -0.17 0.00 0.33 0.00 0.00 56.93 57.30 1cye s PHE 14 Cb 0.16 -2.42 0.13 0.00 -1.31 0.00 0.00 43.02 39.58 1cye s PHE 14 CO 0.68 -0.13 1.64 0.66 1.83 0.00 0.00 175.22 179.91 1cye h SER 15 N 8.08 -0.54 -0.02 6.13 4.64 -2.00 0.27 113.55 130.12 1cye h SER 15 Ca -0.35 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1cye h SER 15 Cb 1.18 0.33 -0.01 0.00 -0.31 0.00 0.00 62.40 63.59 1cye h SER 15 CO 0.61 -0.19 -0.01 0.74 -0.87 0.00 0.00 176.83 177.11 1cye h THR 16 N -0.05 0.96 -0.87 2.95 2.02 -1.96 -1.80 112.91 114.17 1cye h THR 16 Ca 0.22 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.39 1cye h THR 16 Cb 0.39 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 1cye h THR 16 CO -0.50 0.00 0.48 -0.03 0.37 0.00 0.00 175.52 175.83 1cye h MET 17 N -0.02 1.22 -0.22 6.66 4.05 -1.78 -2.09 114.93 122.77 1cye h MET 17 Ca 0.01 -0.15 0.01 0.00 -0.28 0.00 0.00 59.70 59.30 1cye h MET 17 Cb 0.03 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.58 1cye h MET 17 CO -0.03 0.90 0.10 -0.09 0.23 0.00 0.00 176.91 178.02 1cye h ARG 18 N 1.22 0.21 -0.36 0.39 2.43 -0.57 -2.39 114.38 115.31 1cye h ARG 18 Ca 0.31 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.47 1cye h ARG 18 Cb 0.03 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1cye h ARG 18 CO -0.05 0.14 0.23 0.00 -1.51 0.00 0.00 179.97 178.78 1cye h ARG 19 N 0.22 0.46 -0.24 0.20 -0.00 -0.91 -2.73 114.38 111.38 1cye h ARG 19 Ca 0.09 -0.03 0.05 0.00 -0.50 0.00 0.00 59.98 59.59 1cye h ARG 19 Cb 0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 29.97 29.84 1cye h ARG 19 CO -0.07 0.31 -0.12 0.82 0.00 0.00 0.00 179.97 180.91 1cye h ILE 20 N 0.48 0.63 -0.27 2.04 2.04 -0.98 -0.24 117.51 121.21 1cye h ILE 20 Ca 0.14 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.03 1cye h ILE 20 Cb -0.04 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1cye h ILE 20 CO -0.04 0.00 0.07 0.58 0.00 0.00 0.00 178.15 178.76 1cye h VAL 21 N -0.09 0.90 -0.12 1.67 2.07 -1.19 -0.70 116.25 118.80 1cye h VAL 21 Ca 0.13 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1cye h VAL 21 Cb 0.28 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1cye h VAL 21 CO -0.29 0.03 -0.08 -0.09 0.02 0.00 0.00 177.57 177.16 1cye h ARG 22 N 0.18 -0.08 -0.74 1.57 2.43 -1.04 -1.26 114.38 115.44 1cye h ARG 22 Ca 0.12 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.38 1cye h ARG 22 Cb 0.11 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.62 1cye h ARG 22 CO -0.15 -0.06 0.41 -0.91 -1.51 0.00 0.00 179.97 177.76 1cye h ASN 23 N -0.09 0.59 0.18 -3.80 -0.26 -0.39 -1.26 115.58 110.56 1cye h ASN 23 Ca 0.07 0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.85 1cye h ASN 23 Cb 0.19 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 1cye h ASN 23 CO -0.17 0.36 -0.09 -0.07 -1.06 0.00 0.00 177.43 176.40 1cye h LEU 24 N 0.72 -0.21 -0.73 1.61 3.38 -0.62 -1.20 115.31 118.25 1cye h LEU 24 Ca 0.35 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.38 1cye h LEU 24 Cb 0.28 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1cye h LEU 24 CO -0.22 -0.15 0.43 -0.07 0.09 0.00 0.00 178.44 178.52 1cye h LEU 25 N -0.25 0.66 -0.19 1.67 3.38 -0.65 -0.84 115.31 119.09 1cye h LEU 25 Ca -0.02 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1cye h LEU 25 Cb 0.19 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1cye h LEU 25 CO 0.04 0.43 0.05 0.11 0.09 0.00 0.00 178.44 179.16 1cye h LYS 26 N 0.80 0.13 -0.39 1.13 1.79 -0.95 -1.03 116.57 118.05 1cye h LYS 26 Ca 0.32 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.78 1cye h LYS 26 Cb 0.16 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1cye h LYS 26 CO -0.17 0.09 0.22 0.93 -1.08 0.00 0.00 179.45 179.43 1cye h GLU 27 N 0.14 0.52 0.00 3.15 5.08 -0.52 -0.94 114.58 122.00 1cye h GLU 27 Ca 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1cye h GLU 27 Cb 0.06 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1cye h GLU 27 CO -0.10 0.38 0.00 1.28 -1.00 0.00 0.00 179.01 179.57 1cye n LEU 28 N -4.44 0.59 0.00 1.33 4.77 -0.39 -4.93 117.00 113.94 1cye n LEU 28 Ca 0.03 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1cye n LEU 28 Cb 0.09 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1cye n LEU 28 CO 0.36 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 1cye n GLY 29 N 0.84 1.71 3.55 -0.72 0.00 -0.36 -4.96 105.19 105.27 1cye n GLY 29 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.18 2.73 -1.63 1.61 0.08 -0.46 -4.67 117.98 113.46 1cye s PHE 30 Ca 0.00 -1.27 0.01 0.00 0.12 0.00 0.00 56.93 55.79 1cye s PHE 30 Cb 0.00 -4.67 0.05 0.00 -0.57 0.00 0.00 43.02 37.83 1cye s PHE 30 CO 0.00 -1.82 0.88 0.09 -0.10 0.00 0.00 175.22 174.26 1cye n ASN 31 N 8.34 0.65 -3.88 1.36 3.02 -1.18 -3.60 115.26 119.97 1cye n ASN 31 Ca 0.39 -2.02 -0.29 0.00 -0.03 0.00 0.00 54.58 52.63 1cye n ASN 31 Cb 0.48 -0.20 -0.13 0.00 -0.61 0.00 0.00 39.78 39.32 1cye n ASN 31 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1cye s ASN 32 N -0.66 4.33 -0.04 6.41 0.02 -1.26 -5.05 114.94 118.68 1cye s ASN 32 Ca 0.04 -3.30 0.00 0.00 -1.02 0.00 0.00 52.86 48.58 1cye s ASN 32 Cb 0.02 -1.53 0.03 0.00 0.02 0.00 0.00 41.25 39.79 1cye s ASN 32 CO 0.02 -0.18 -0.01 0.54 0.02 0.00 0.00 177.10 177.50 1cye s VAL 33 N -0.66 0.27 0.21 1.60 0.11 -1.26 -0.87 120.40 119.80 1cye s VAL 33 Ca 0.21 0.07 0.11 0.00 -2.93 0.00 0.00 61.98 59.43 1cye s VAL 33 Cb -0.17 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 1cye s VAL 33 CO -0.07 0.18 -0.22 -1.61 -3.33 0.00 0.00 175.10 170.05 1cye s GLU 34 N 1.21 1.60 -0.01 1.54 8.01 0.81 -4.95 118.70 126.91 1cye s GLU 34 Ca -0.07 -1.54 0.05 0.00 0.01 0.00 0.00 54.97 53.41 1cye s GLU 34 Cb -0.13 -1.86 -0.01 0.00 -4.31 0.00 0.00 34.13 27.81 1cye s GLU 34 CO -0.02 0.39 -0.16 -1.21 0.01 0.00 0.00 175.26 174.27 1cye s GLU 35 N -2.84 1.30 0.28 1.61 2.02 -1.26 -0.90 118.70 118.91 1cye s GLU 35 Ca 0.23 -0.56 0.04 0.00 0.02 0.00 0.00 54.97 54.70 1cye s GLU 35 Cb -0.07 -1.25 -0.06 0.00 0.10 0.00 0.00 34.13 32.85 1cye s GLU 35 CO 0.11 0.33 0.01 0.00 0.02 0.00 0.00 175.26 175.73 1cye s ALA 36 N -0.34 2.14 -0.18 5.21 0.00 0.32 -4.95 121.76 123.95 1cye s ALA 36 Ca 0.05 -1.91 -0.12 0.00 0.00 0.00 0.00 51.96 49.98 1cye s ALA 36 Cb -0.06 0.50 -0.08 0.00 0.00 0.00 0.00 23.12 23.48 1cye s ALA 36 CO -0.00 -0.23 -0.28 0.39 0.00 0.00 0.00 175.76 175.63 1cye n GLU 37 N -0.56 0.44 -4.53 0.00 1.02 -1.26 -0.96 120.64 114.79 1cye n GLU 37 Ca -0.04 0.19 -0.25 0.00 -0.02 0.00 0.00 57.16 57.04 1cye n GLU 37 Cb 0.65 -1.26 -0.10 0.00 -0.02 0.00 0.00 31.44 30.71 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 -6.57 3.03 0.19 1.62 -4.77 -1.26 -1.77 116.67 107.14 1cye s ASP 38 Ca -0.28 -1.42 -0.20 0.00 -3.30 0.00 0.00 52.55 47.35 1cye s ASP 38 Cb 0.08 -0.09 0.14 0.00 -1.09 0.00 0.00 42.92 41.97 1cye s ASP 38 CO 0.37 -0.60 1.59 1.23 0.70 0.00 0.00 175.17 178.45 1cye h GLY 39 N 1.92 -0.06 0.83 2.12 0.00 -1.48 -1.19 103.07 105.21 1cye h GLY 39 Ca -0.42 0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1cye h GLY 39 CO 0.73 -0.21 -0.26 -2.08 0.00 0.00 0.00 176.54 174.71 1cye h VAL 40 N -0.14 0.45 -0.90 4.60 2.07 -1.88 -1.00 116.25 119.46 1cye h VAL 40 Ca 0.24 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.88 1cye h VAL 40 Cb 0.55 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 30.69 1cye h VAL 40 CO -0.69 0.00 0.53 -0.78 0.02 0.00 0.00 177.57 176.64 1cye h ASP 41 N -0.63 0.75 -0.04 0.57 3.58 -1.79 -1.80 116.42 117.06 1cye h ASP 41 Ca -0.04 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 1cye h ASP 41 Cb 0.53 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 1cye h ASP 41 CO 0.02 0.40 0.02 0.00 -2.88 0.00 0.00 179.24 176.80 1cye h ALA 42 N 1.50 0.06 -0.14 -0.78 0.00 -0.85 -2.49 119.26 116.55 1cye h ALA 42 Ca 0.45 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1cye h ALA 42 Cb 0.46 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1cye h ALA 42 CO -0.27 -0.36 -0.27 -0.07 0.00 0.00 0.00 179.25 178.28 1cye h LEU 43 N -0.08 -0.83 -0.26 0.00 3.38 -0.35 0.11 115.31 117.28 1cye h LEU 43 Ca 0.02 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.18 1cye h LEU 43 Cb 0.16 0.36 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 1cye h LEU 43 CO -0.00 -0.31 -0.19 0.78 0.09 0.00 0.00 178.44 178.80 1cye h ASN 44 N -0.33 -0.63 0.15 -0.43 -0.26 -1.39 0.10 115.58 112.79 1cye h ASN 44 Ca 0.10 0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 1cye h ASN 44 Cb 0.49 0.31 -0.02 0.00 -1.06 0.00 0.00 38.32 38.04 1cye h ASN 44 CO -0.33 -0.23 -0.16 0.11 -1.06 0.00 0.00 177.43 175.76 1cye h LYS 45 N -0.18 -0.33 -0.34 0.81 1.57 -0.95 -2.67 116.57 114.48 1cye h LYS 45 Ca 0.14 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1cye h LYS 45 Cb 0.40 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1cye h LYS 45 CO -0.37 -0.22 0.23 -0.07 -0.57 0.00 0.00 179.45 178.45 1cye h LEU 46 N -0.34 0.35 -2.10 2.94 3.38 0.05 -2.39 115.31 117.20 1cye h LEU 46 Ca 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1cye h LEU 46 Cb 0.33 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1cye h LEU 46 CO -0.05 0.25 -0.07 1.56 0.09 0.00 0.00 178.44 180.22 1cye h GLN 47 N 0.41 0.00 0.00 1.13 4.20 -0.64 -2.40 115.11 117.82 1cye h GLN 47 Ca 0.13 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 1cye h GLN 47 Cb 0.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1cye h GLN 47 CO -0.03 0.07 -0.14 0.00 -0.67 0.00 0.00 178.83 178.06 1cye h ALA 48 N 1.93 1.35 0.00 3.87 0.00 -1.44 -3.49 119.26 121.47 1cye h ALA 48 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1cye h ALA 48 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1cye h ALA 48 CO 0.01 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.85 1cye n GLY 49 N -0.72 -1.24 4.23 0.00 0.00 -0.90 -5.03 105.19 101.53 1cye n GLY 49 Ca -0.02 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.89 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 0.00 1.01 3.75 -0.02 0.00 -1.26 -4.89 105.19 103.77 1cye n GLY 50 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 3.09 -0.10 1.61 2.02 -1.26 -4.55 117.35 118.16 1cye s TYR 51 Ca 0.00 1.13 0.15 0.00 -0.37 0.00 0.00 57.07 57.98 1cye s TYR 51 Cb 0.00 -3.74 0.23 0.00 -0.40 0.00 0.00 41.96 38.05 1cye s TYR 51 CO 0.00 -2.34 1.12 0.41 -1.57 0.00 0.00 175.55 173.17 1cye n GLY 52 N 2.09 4.02 3.63 0.71 0.00 -0.47 -4.99 105.19 110.18 1cye n GLY 52 Ca 0.06 -0.91 -0.06 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.31 -0.21 -0.11 1.61 2.19 -1.11 -4.41 117.98 113.64 1cye s PHE 53 Ca 0.26 0.46 0.01 0.00 0.33 0.00 0.00 56.93 57.99 1cye s PHE 53 Cb 0.22 0.45 0.02 0.00 -1.31 0.00 0.00 43.02 42.40 1cye s PHE 53 CO 0.02 -0.14 -0.14 0.08 1.83 0.00 0.00 175.22 176.87 1cye s VAL 54 N -0.36 1.45 -0.38 3.12 1.01 0.42 -1.70 120.40 123.96 1cye s VAL 54 Ca 0.05 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 1cye s VAL 54 Cb -0.03 -1.34 0.11 0.00 0.00 0.00 0.00 36.38 35.11 1cye s VAL 54 CO -0.08 0.43 0.14 -0.63 0.00 0.00 0.00 175.10 174.96 1cye s ILE 55 N 1.08 2.88 -0.06 2.22 1.01 -0.22 -0.43 121.20 127.68 1cye s ILE 55 Ca -0.05 -2.18 0.05 0.00 0.00 0.00 0.00 60.65 58.47 1cye s ILE 55 Cb -0.15 -3.03 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 1cye s ILE 55 CO -0.03 -0.66 -0.19 -0.55 0.00 0.00 0.00 174.94 173.51 1cye s SER 56 N 1.45 3.56 0.02 3.58 0.15 -0.09 0.27 113.70 122.64 1cye s SER 56 Ca 0.09 -0.35 -0.30 0.00 0.70 0.00 0.00 55.95 56.09 1cye s SER 56 Cb -0.21 -0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 63.22 1cye s SER 56 CO -0.06 0.29 1.08 -0.62 1.20 0.00 0.00 173.24 175.14 1cye s ASP 57 N -0.42 7.23 0.12 5.45 -1.08 0.01 0.24 116.67 128.22 1cye s ASP 57 Ca 0.04 1.81 -0.21 0.00 -0.52 0.00 0.00 52.55 53.67 1cye s ASP 57 Cb -0.12 -2.57 -0.05 0.00 -1.46 0.00 0.00 42.92 38.72 1cye s ASP 57 CO 0.02 -0.37 1.70 -0.25 0.52 0.00 0.00 175.17 176.79 1cye h TRP 58 N 6.85 -0.14 -1.72 -5.34 2.91 -1.04 -2.85 115.95 114.62 1cye h TRP 58 Ca -0.40 0.01 -0.73 0.00 1.13 0.00 0.00 58.89 58.90 1cye h TRP 58 Cb 1.21 0.08 -0.15 0.00 -0.51 0.00 0.00 29.16 29.79 1cye h TRP 58 CO 0.68 -0.10 1.71 0.27 -1.03 0.00 0.00 178.44 179.97 1cye n ASN 59 N -5.20 5.10 -4.31 2.65 6.94 -1.26 -1.19 115.26 117.99 1cye n ASN 59 Ca -0.03 -3.00 -0.32 0.00 -0.02 0.00 0.00 54.58 51.21 1cye n ASN 59 Cb 0.13 -1.58 -0.16 0.00 -2.36 0.00 0.00 39.78 35.81 1cye n ASN 59 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1cye s MET 60 N 1.71 2.89 0.55 -3.83 -1.94 -1.25 -4.80 119.30 112.63 1cye s MET 60 Ca 0.44 -0.81 -0.21 0.00 -1.71 0.00 0.00 55.69 53.39 1cye s MET 60 Cb 0.02 -2.35 -0.05 0.00 2.01 0.00 0.00 34.83 34.46 1cye s MET 60 CO 0.01 0.32 1.32 -2.14 -0.01 0.00 0.00 175.02 174.52 1cye s PRO 61 N 0.02 3.11 0.00 2.03 0.02 -1.26 -2.94 135.00 135.99 1cye s PRO 61 Ca -0.07 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.10 1cye s PRO 61 Cb -0.15 -2.20 0.00 0.00 0.02 0.00 0.00 34.50 32.17 1cye s PRO 61 CO 0.05 -1.18 0.00 0.09 -0.33 0.00 0.00 177.00 175.63 1cye n ASN 62 N -1.12 0.00 -3.88 2.53 4.13 -1.26 -4.32 115.26 111.33 1cye n ASN 62 Ca 0.11 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.07 1cye n ASN 62 Cb 0.46 0.00 -0.15 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 1.25 0.98 3.52 0.00 -1.26 -5.05 119.30 118.74 1cye s MET 63 Ca 0.00 -1.21 -0.12 0.00 0.00 0.00 0.00 55.69 54.36 1cye s MET 63 Cb 0.00 -2.53 0.18 0.00 0.00 0.00 0.00 34.83 32.48 1cye s MET 63 CO 0.00 -0.81 1.09 0.16 0.00 0.00 0.00 175.02 175.46 1cye s ASP 64 N 1.36 2.75 0.16 1.11 1.47 -1.15 -1.59 116.67 120.79 1cye s ASP 64 Ca 0.04 1.25 -0.23 0.00 1.18 0.00 0.00 52.55 54.78 1cye s ASP 64 Cb -0.18 -1.92 0.05 0.00 -0.34 0.00 0.00 42.92 40.53 1cye s ASP 64 CO -0.13 -3.06 1.60 1.23 0.68 0.00 0.00 175.17 175.49 1cye h GLY 65 N -1.84 -0.27 1.01 2.12 0.00 -0.90 -0.38 103.07 102.81 1cye h GLY 65 Ca -0.54 0.42 0.01 0.00 0.00 0.00 0.00 47.33 47.22 1cye h GLY 65 CO 0.57 -0.21 0.57 -2.00 0.00 0.00 0.00 176.54 175.47 1cye h LEU 66 N -0.26 0.99 -0.40 3.11 5.85 -1.86 -0.49 115.31 122.24 1cye h LEU 66 Ca 0.17 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1cye h LEU 66 Cb 0.54 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1cye h LEU 66 CO -0.53 0.71 0.05 -0.33 -0.34 0.00 0.00 178.44 177.99 1cye h GLU 67 N 1.16 0.68 -0.93 1.25 5.08 -1.70 -2.75 114.58 117.37 1cye h GLU 67 Ca 0.31 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1cye h GLU 67 Cb -0.14 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 28.99 1cye h GLU 67 CO -0.07 0.74 0.61 1.25 -1.00 0.00 0.00 179.01 180.54 1cye h LEU 68 N 0.52 1.01 -0.55 1.33 5.85 -0.50 -1.65 115.31 121.32 1cye h LEU 68 Ca 0.12 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.89 1cye h LEU 68 Cb 0.40 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1cye h LEU 68 CO 0.01 0.69 0.25 0.25 -0.34 0.00 0.00 178.44 179.31 1cye h LEU 69 N 1.18 0.33 -0.35 2.25 5.85 -0.85 -1.42 115.31 122.29 1cye h LEU 69 Ca 0.37 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.11 1cye h LEU 69 Cb -0.00 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1cye h LEU 69 CO -0.12 0.22 0.12 0.11 -0.34 0.00 0.00 178.44 178.43 1cye h LYS 70 N 0.48 0.54 -0.84 1.25 1.57 -1.10 -0.73 116.57 117.74 1cye h LYS 70 Ca 0.26 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1cye h LYS 70 Cb 0.22 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 1cye h LYS 70 CO -0.21 0.55 0.56 1.79 -0.57 0.00 0.00 179.45 181.57 1cye h THR 71 N 0.42 1.21 0.24 -0.16 1.35 -0.91 -1.10 112.91 113.96 1cye h THR 71 Ca 0.12 -0.39 -0.01 0.00 -0.55 0.00 0.00 66.41 65.58 1cye h THR 71 Cb 0.23 -0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.63 1cye h THR 71 CO -0.01 0.21 -0.12 0.40 -0.25 0.00 0.00 175.52 175.75 1cye h ILE 72 N 1.13 0.78 -0.61 6.82 2.04 -0.82 -1.67 117.51 125.18 1cye h ILE 72 Ca 0.31 -0.80 0.18 0.00 1.00 0.00 0.00 64.86 65.55 1cye h ILE 72 Cb -0.11 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1cye h ILE 72 CO -0.07 0.16 0.49 0.03 0.00 0.00 0.00 178.15 178.75 1cye h ARG 73 N -0.77 0.00 0.00 2.37 -0.00 -0.85 -1.00 114.38 114.14 1cye h ARG 73 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 1cye h ARG 73 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.47 1cye h ARG 73 CO 0.05 0.00 -1.00 0.00 0.00 0.00 0.00 179.97 179.02 1cye n ALA 74 N -2.56 3.62 -1.35 0.04 0.00 -0.44 -4.58 120.51 115.23 1cye n ALA 74 Ca 0.12 -0.42 -0.39 0.00 0.00 0.00 0.00 53.44 52.75 1cye n ALA 74 Cb 0.73 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 1cye n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1cye n ASP 75 N -1.55 8.58 0.00 0.00 -0.08 -0.41 -4.90 116.55 118.18 1cye n ASP 75 Ca 0.01 -2.60 0.00 0.00 -1.51 0.00 0.00 54.79 50.69 1cye n ASP 75 Cb 0.29 -1.56 0.00 0.00 2.34 0.00 0.00 41.12 42.19 1cye n ASP 75 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1cye n GLY 76 N 3.53 0.31 0.36 0.27 0.00 -1.26 -0.54 105.19 107.87 1cye n GLY 76 Ca 0.77 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.80 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 1.42 0.00 4.61 0.00 -1.93 -2.75 119.26 120.61 1cye h ALA 77 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1cye h ALA 77 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1cye h ALA 77 CO 0.00 0.52 0.00 -1.33 0.00 0.00 0.00 179.25 178.44 1cye n MET 78 N -4.42 0.06 0.26 0.00 2.81 0.30 -4.05 117.12 112.08 1cye n MET 78 Ca 0.11 0.10 0.15 0.00 -1.81 0.00 0.00 57.70 56.25 1cye n MET 78 Cb 0.07 -1.58 0.83 0.00 -0.71 0.00 0.00 33.22 31.82 1cye n MET 78 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1cye h SER 79 N 0.00 0.00 -0.58 7.83 0.02 -1.16 -1.58 113.55 118.09 1cye h SER 79 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cye h SER 79 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1cye h SER 79 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1cye n ALA 80 N -1.88 2.37 -2.58 3.77 0.00 -1.26 -4.63 120.51 116.30 1cye n ALA 80 Ca -0.02 -1.18 -0.43 0.00 0.00 0.00 0.00 53.44 51.81 1cye n ALA 80 Cb 0.15 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.14 4.03 0.30 0.00 1.43 -0.59 -5.01 118.68 117.69 1cye s LEU 81 Ca 0.42 0.33 -0.28 0.00 -1.03 0.00 0.00 54.13 53.57 1cye s LEU 81 Cb 0.23 -3.19 -0.14 0.00 0.03 0.00 0.00 46.19 43.12 1cye s LEU 81 CO 0.31 -0.92 1.12 -0.81 0.23 0.00 0.00 176.35 176.27 1cye n PRO 82 N 6.89 1.61 -4.79 1.29 -0.04 -1.26 -4.70 135.00 134.00 1cye n PRO 82 Ca 0.06 0.57 -0.30 0.00 -0.04 0.00 0.00 63.50 63.78 1cye n PRO 82 Cb 0.48 -2.02 -0.17 0.00 -0.04 0.00 0.00 33.50 31.76 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 -0.99 1.79 -0.37 0.52 1.01 -1.26 -0.43 120.40 120.67 1cye s VAL 83 Ca 0.59 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1cye s VAL 83 Cb -0.66 -1.59 0.10 0.00 0.00 0.00 0.00 36.38 34.23 1cye s VAL 83 CO 0.60 0.50 0.13 -0.22 0.00 0.00 0.00 175.10 176.11 1cye s LEU 84 N 0.68 4.87 -0.51 3.92 2.96 0.43 -1.30 118.68 129.74 1cye s LEU 84 Ca -0.12 -1.89 -0.29 0.00 -0.22 0.00 0.00 54.13 51.62 1cye s LEU 84 Cb -0.16 -1.77 0.03 0.00 0.50 0.00 0.00 46.19 44.78 1cye s LEU 84 CO 0.03 -0.45 1.22 -0.04 -1.32 0.00 0.00 176.35 175.78 1cye s MET 85 N 1.12 3.59 -0.57 1.98 -1.94 -0.28 -0.91 119.30 122.29 1cye s MET 85 Ca 0.06 0.50 -0.24 0.00 -1.71 0.00 0.00 55.69 54.30 1cye s MET 85 Cb -0.21 -3.98 0.04 0.00 2.01 0.00 0.00 34.83 32.69 1cye s MET 85 CO -0.04 -1.56 0.97 0.08 -0.01 0.00 0.00 175.02 174.46 1cye s VAL 86 N 4.91 4.33 -0.03 -6.03 1.01 0.14 -0.73 120.40 124.01 1cye s VAL 86 Ca 0.49 0.24 -0.13 0.00 0.00 0.00 0.00 61.98 62.58 1cye s VAL 86 Cb -0.08 -4.58 -0.05 0.00 0.00 0.00 0.00 36.38 31.66 1cye s VAL 86 CO 0.29 -1.20 0.35 0.42 0.00 0.00 0.00 175.10 174.97 1cye s THR 87 N 4.09 5.13 0.07 3.92 -4.23 -0.06 -0.35 115.64 124.21 1cye s THR 87 Ca 0.30 0.71 -0.18 0.00 -1.18 0.00 0.00 61.69 61.34 1cye s THR 87 Cb -0.13 -3.65 -0.10 0.00 1.34 0.00 0.00 72.50 69.97 1cye s THR 87 CO 0.18 0.58 1.45 0.00 -0.54 0.00 0.00 174.62 176.30 1cye h ALA 88 N 4.81 0.33 -3.45 3.99 0.00 -1.90 -0.97 119.26 122.06 1cye h ALA 88 Ca -0.52 -0.28 -0.38 0.00 0.00 0.00 0.00 54.91 53.73 1cye h ALA 88 Cb 1.22 -0.08 -0.35 0.00 0.00 0.00 0.00 17.79 18.58 1cye h ALA 88 CO 0.61 0.15 -0.76 -2.00 0.00 0.00 0.00 179.25 177.25 1cye s GLU 89 N -4.67 0.50 -0.35 0.00 2.56 -1.26 -4.44 118.70 111.04 1cye s GLU 89 Ca -0.14 0.03 -0.12 0.00 0.00 0.00 0.00 54.97 54.74 1cye s GLU 89 Cb 0.07 -0.66 0.00 0.00 2.00 0.00 0.00 34.13 35.55 1cye s GLU 89 CO 0.76 -0.14 0.22 0.00 -0.56 0.00 0.00 175.26 175.54 1cye s ALA 90 N 1.12 3.39 0.06 6.30 0.00 -1.26 -4.98 121.76 126.38 1cye s ALA 90 Ca -0.08 -1.51 0.02 0.00 0.00 0.00 0.00 51.96 50.38 1cye s ALA 90 Cb -0.14 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 1cye s ALA 90 CO -0.01 -1.12 -0.07 -1.59 0.00 0.00 0.00 175.76 172.97 1cye s LYS 91 N 1.65 0.60 0.33 0.00 0.00 -1.26 -5.07 119.74 115.99 1cye s LYS 91 Ca 0.05 -0.92 0.09 0.00 0.00 0.00 0.00 55.97 55.19 1cye s LYS 91 Cb -0.18 -0.22 0.98 0.00 0.00 0.00 0.00 37.83 38.41 1cye s LYS 91 CO 0.08 0.02 1.59 0.87 0.00 0.00 0.00 175.35 177.91 1cye h LYS 92 N 4.05 0.05 0.31 1.78 1.57 -1.99 -2.05 116.57 120.29 1cye h LYS 92 Ca -0.35 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1cye h LYS 92 Cb 1.19 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 1cye h LYS 92 CO 0.48 0.04 -0.46 0.93 -0.57 0.00 0.00 179.45 179.86 1cye h GLU 93 N 0.06 -0.78 0.00 3.15 3.07 -2.00 -1.03 114.58 117.04 1cye h GLU 93 Ca 0.69 0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 59.51 1cye h GLU 93 Cb 1.60 0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 29.67 1cye h GLU 93 CO -0.81 -0.52 -0.44 -2.95 -1.40 0.00 0.00 179.01 172.88 1cye h ASN 94 N -0.81 0.00 0.25 1.42 -1.07 -1.77 -2.10 115.58 111.50 1cye h ASN 94 Ca -0.04 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.32 1cye h ASN 94 Cb 0.74 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.99 1cye h ASN 94 CO -0.14 0.44 -0.12 0.40 0.07 0.00 0.00 177.43 178.08 1cye h ILE 95 N 0.00 0.78 -0.48 6.14 2.04 -0.99 -0.41 117.51 124.59 1cye h ILE 95 Ca -0.00 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1cye h ILE 95 Cb 0.84 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1cye h ILE 95 CO 0.06 0.03 0.22 0.40 0.00 0.00 0.00 178.15 178.87 1cye h ILE 96 N -0.42 1.19 -0.49 -0.67 2.04 -1.08 -2.48 117.51 115.60 1cye h ILE 96 Ca -0.03 -0.56 0.08 0.00 1.00 0.00 0.00 64.86 65.35 1cye h ILE 96 Cb 0.32 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 1cye h ILE 96 CO 0.06 0.22 0.09 0.00 0.00 0.00 0.00 178.15 178.52 1cye h ALA 97 N 1.07 0.55 0.19 1.87 0.00 -1.20 -0.61 119.26 121.12 1cye h ALA 97 Ca 0.16 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1cye h ALA 97 Cb 0.13 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1cye h ALA 97 CO -0.02 -0.31 -0.19 0.00 0.00 0.00 0.00 179.25 178.73 1cye h ALA 98 N 1.38 -0.38 -0.46 0.00 0.00 -0.73 -2.27 119.26 116.81 1cye h ALA 98 Ca 0.25 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1cye h ALA 98 Cb 0.33 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1cye h ALA 98 CO -0.33 -0.74 0.28 0.00 0.00 0.00 0.00 179.25 178.47 1cye h ALA 99 N 0.34 0.58 -0.88 0.00 0.00 -0.96 -1.48 119.26 116.85 1cye h ALA 99 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1cye h ALA 99 Cb 0.39 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1cye h ALA 99 CO -0.05 -0.01 0.58 1.96 0.00 0.00 0.00 179.25 181.73 1cye h GLN 100 N 0.57 0.98 -0.13 0.00 4.20 -0.92 -1.67 115.11 118.15 1cye h GLN 100 Ca 0.18 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1cye h GLN 100 Cb -0.02 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.54 1cye h GLN 100 CO -0.06 0.65 0.00 0.00 -0.67 0.00 0.00 178.83 178.74 1cye n ALA 101 N -2.40 2.53 0.00 3.87 0.00 -0.87 -4.90 120.51 118.73 1cye n ALA 101 Ca 0.13 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1cye n ALA 101 Cb 0.19 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 0.97 0.75 3.64 0.00 0.00 -0.63 -4.34 105.19 105.58 1cye n GLY 102 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 3.36 0.48 4.61 0.00 -0.60 -4.70 121.76 122.91 1cye s ALA 103 Ca 0.00 1.03 0.19 0.00 0.00 0.00 0.00 51.96 53.17 1cye s ALA 103 Cb 0.00 -3.88 1.23 0.00 0.00 0.00 0.00 23.12 20.47 1cye s ALA 103 CO 0.00 -1.87 2.07 0.77 0.00 0.00 0.00 175.76 176.73 1cye h SER 104 N 11.43 0.00 -5.91 0.00 0.02 -1.53 -3.38 113.55 114.19 1cye h SER 104 Ca -0.44 0.00 0.37 0.00 -0.84 0.00 0.00 61.79 60.88 1cye h SER 104 Cb 1.22 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.63 1cye h SER 104 CO 0.96 0.11 0.93 -0.83 -1.14 0.00 0.00 176.83 176.86 1cye s GLY 105 N -4.15 -0.45 -0.04 -3.77 0.00 -0.88 -4.68 107.32 93.35 1cye s GLY 105 Ca -0.04 0.79 -0.05 0.00 0.00 0.00 0.00 44.72 45.42 1cye s GLY 105 CO 0.65 0.66 0.13 -2.52 0.00 0.00 0.00 173.10 172.03 1cye s TYR 106 N -2.17 -0.10 -0.08 1.90 1.13 -1.26 -1.12 117.35 115.65 1cye s TYR 106 Ca 0.16 0.24 0.01 0.00 -1.41 0.00 0.00 57.07 56.08 1cye s TYR 106 Cb 0.06 0.02 0.02 0.00 -1.10 0.00 0.00 41.96 40.96 1cye s TYR 106 CO -0.05 -0.12 -0.11 0.54 -2.51 0.00 0.00 175.55 173.30 1cye s VAL 107 N -0.25 1.11 0.21 -3.49 0.11 0.09 -4.91 120.40 113.27 1cye s VAL 107 Ca -0.03 -0.43 -0.23 0.00 -2.93 0.00 0.00 61.98 58.37 1cye s VAL 107 Cb -0.02 -1.04 -0.08 0.00 -1.53 0.00 0.00 36.38 33.70 1cye s VAL 107 CO 0.00 0.36 0.77 0.54 -3.33 0.00 0.00 175.10 173.44 1cye s VAL 108 N 0.98 4.45 0.02 2.04 0.11 -1.26 -0.88 120.40 125.85 1cye s VAL 108 Ca -0.09 1.52 -0.18 0.00 -2.93 0.00 0.00 61.98 60.30 1cye s VAL 108 Cb -0.15 -3.99 -0.06 0.00 -1.53 0.00 0.00 36.38 30.65 1cye s VAL 108 CO -0.00 0.34 0.53 -1.59 -3.33 0.00 0.00 175.10 171.04 1cye s LYS 109 N -1.63 4.17 0.04 1.54 -2.85 -0.37 -3.08 119.74 117.56 1cye s LYS 109 Ca 0.41 0.63 -0.23 0.00 -1.00 0.00 0.00 55.97 55.78 1cye s LYS 109 Cb -0.20 -3.28 -0.06 0.00 -2.06 0.00 0.00 37.83 32.24 1cye s LYS 109 CO 0.23 0.54 0.68 -1.25 0.10 0.00 0.00 175.35 175.65 1cye s PRO 110 N -0.72 4.40 0.14 1.78 0.04 -1.26 -4.85 135.00 134.52 1cye s PRO 110 Ca 0.28 0.90 0.09 0.00 0.04 0.00 0.00 61.00 62.31 1cye s PRO 110 Cb -0.18 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 1cye s PRO 110 CO 0.16 0.37 -0.17 -0.59 0.04 0.00 0.00 177.00 176.82 1cye s PHE 111 N -0.29 2.54 0.55 0.56 -0.71 -1.18 -5.15 117.98 114.30 1cye s PHE 111 Ca 0.34 -0.26 0.07 0.00 -1.04 0.00 0.00 56.93 56.05 1cye s PHE 111 Cb -0.20 -1.32 0.05 0.00 -1.21 0.00 0.00 43.02 40.35 1cye s PHE 111 CO 0.20 0.42 0.55 0.95 -1.34 0.00 0.00 175.22 176.01 1cye s THR 112 N -1.31 1.93 0.22 -4.49 -4.23 -1.26 -4.94 115.64 101.55 1cye s THR 112 Ca 0.20 -1.29 -0.08 0.00 -1.18 0.00 0.00 61.69 59.34 1cye s THR 112 Cb -0.10 -2.21 0.16 0.00 1.34 0.00 0.00 72.50 71.69 1cye s THR 112 CO 0.11 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 175.94 1cye h ALA 113 N 0.54 0.87 -0.10 3.99 0.00 -1.98 -0.54 119.26 122.04 1cye h ALA 113 Ca -0.34 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1cye h ALA 113 Cb 1.29 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1cye h ALA 113 CO 0.51 -0.16 0.04 0.00 0.00 0.00 0.00 179.25 179.63 1cye h ALA 114 N 1.44 0.13 -0.34 0.00 0.00 -1.97 -0.07 119.26 118.45 1cye h ALA 114 Ca 0.33 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1cye h ALA 114 Cb 0.42 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1cye h ALA 114 CO -0.32 -0.28 0.10 1.15 0.00 0.00 0.00 179.25 179.91 1cye h THR 115 N 0.00 0.88 0.09 0.00 2.02 -1.83 0.20 112.91 114.27 1cye h THR 115 Ca 0.03 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1cye h THR 115 Cb 0.17 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1cye h THR 115 CO -0.00 0.04 -0.08 0.25 0.37 0.00 0.00 175.52 176.10 1cye h LEU 116 N 0.23 -0.22 -0.51 2.58 6.46 -0.88 -2.47 115.31 120.51 1cye h LEU 116 Ca 0.16 0.02 0.06 0.00 -0.12 0.00 0.00 57.88 58.00 1cye h LEU 116 Cb 0.15 0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.10 1cye h LEU 116 CO -0.18 -0.13 0.20 -0.08 -0.62 0.00 0.00 178.44 177.64 1cye h GLU 117 N -0.19 0.39 -0.43 1.25 4.81 -0.22 -0.85 114.58 119.34 1cye h GLU 117 Ca 0.00 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.28 1cye h GLU 117 Cb 0.18 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.41 1cye h GLU 117 CO -0.02 0.26 0.06 0.93 -0.73 0.00 0.00 179.01 179.51 1cye h GLU 118 N 0.40 0.18 -0.24 1.92 3.07 -0.63 -0.53 114.58 118.74 1cye h GLU 118 Ca 0.24 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 1cye h GLU 118 Cb 0.23 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1cye h GLU 118 CO -0.22 0.12 0.13 0.87 -1.40 0.00 0.00 179.01 178.50 1cye h LYS 119 N 0.18 0.34 -0.15 2.33 1.79 -0.94 -2.36 116.57 117.77 1cye h LYS 119 Ca 0.21 -0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.68 1cye h LYS 119 Cb 0.28 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 1cye h LYS 119 CO -0.30 0.32 -0.11 -0.07 -1.08 0.00 0.00 179.45 178.21 1cye h LEU 120 N 0.27 -0.35 -0.30 2.94 3.38 -0.62 -1.17 115.31 119.46 1cye h LEU 120 Ca 0.08 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1cye h LEU 120 Cb 0.09 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1cye h LEU 120 CO -0.01 -0.15 -0.11 0.78 0.09 0.00 0.00 178.44 179.05 1cye h ASN 121 N -0.12 -0.37 -0.28 -0.43 2.35 -0.89 -0.98 115.58 114.87 1cye h ASN 121 Ca 0.09 0.10 0.04 0.00 -0.55 0.00 0.00 56.30 55.99 1cye h ASN 121 Cb 0.25 0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.80 1cye h ASN 121 CO -0.22 -0.14 0.02 0.50 -1.65 0.00 0.00 177.43 175.94 1cye h LYS 122 N -0.05 0.11 -0.16 0.81 3.64 -0.99 -1.49 116.57 118.45 1cye h LYS 122 Ca 0.15 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1cye h LYS 122 Cb 0.27 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1cye h LYS 122 CO -0.33 0.07 0.08 0.82 -2.27 0.00 0.00 179.45 177.82 1cye h ILE 123 N 0.11 1.01 -0.90 2.00 2.04 -0.56 -2.07 117.51 119.13 1cye h ILE 123 Ca 0.13 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1cye h ILE 123 Cb 0.16 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1cye h ILE 123 CO -0.20 0.03 0.58 -0.26 0.00 0.00 0.00 178.15 178.30 1cye h PHE 124 N 0.18 1.09 -0.03 1.37 0.04 -0.80 -1.86 116.94 116.92 1cye h PHE 124 Ca 0.06 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 1cye h PHE 124 Cb 0.00 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 37.79 1cye h PHE 124 CO -0.08 0.62 0.02 0.93 -0.60 0.00 0.00 178.31 179.19 1cye h GLU 125 N 1.12 0.05 -0.46 1.51 5.08 -0.90 -0.78 114.58 120.20 1cye h GLU 125 Ca 0.36 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.74 1cye h GLU 125 Cb 0.02 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1cye h GLU 125 CO -0.13 0.14 0.26 0.87 -1.00 0.00 0.00 179.01 179.15 1cye h LYS 126 N -0.05 0.51 -0.12 2.33 1.57 -1.03 -2.27 116.57 117.50 1cye h LYS 126 Ca 0.01 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1cye h LYS 126 Cb 0.10 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1cye h LYS 126 CO -0.00 0.34 -0.31 -0.07 -0.57 0.00 0.00 179.45 178.83 1cye h LEU 127 N 0.52 0.22 1.11 2.94 4.07 -1.17 -3.47 115.31 119.54 1cye h LEU 127 Ca 0.19 -0.08 -0.22 0.00 0.08 0.00 0.00 57.88 57.85 1cye h LEU 127 Cb 0.04 -0.06 0.01 0.00 1.08 0.00 0.00 40.66 41.73 1cye h LEU 127 CO -0.10 0.54 -0.31 0.61 -1.08 0.00 0.00 178.44 178.10 1cye n GLY 128 N -0.43 -0.05 0.00 0.83 0.00 -0.31 -5.10 105.19 100.13 1cye n GLY 128 Ca -0.01 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.69 1cye n GLY 128 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47