#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cye s SER 2 N 0.00 5.68 -0.70 2.89 1.04 -1.26 -4.82 113.70 116.53 1cye s SER 2 Ca 0.00 -1.22 -0.26 0.00 0.48 0.00 0.00 55.95 54.95 1cye s SER 2 Cb 0.00 -2.57 -0.00 0.00 0.10 0.00 0.00 66.02 63.55 1cye s SER 2 CO 0.00 -2.29 1.68 -0.62 0.98 0.00 0.00 173.24 172.98 1cye s ASP 3 N 6.56 5.58 0.34 7.02 -1.08 -1.26 -4.90 116.67 128.93 1cye s ASP 3 Ca 0.61 -0.09 0.11 0.00 -0.52 0.00 0.00 52.55 52.67 1cye s ASP 3 Cb -0.03 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.79 1cye s ASP 3 CO -0.00 -2.21 1.76 0.07 0.52 0.00 0.00 175.17 175.30 1cye h LYS 4 N 12.89 0.57 -2.16 4.34 2.10 -1.91 -2.96 116.57 129.43 1cye h LYS 4 Ca -0.21 -0.03 -0.73 0.00 -2.00 0.00 0.00 60.65 57.68 1cye h LYS 4 Cb 1.11 -0.13 -0.23 0.00 -0.90 0.00 0.00 32.23 32.08 1cye h LYS 4 CO 1.25 0.37 1.12 0.39 -2.00 0.00 0.00 179.45 180.58 1cye n GLU 5 N -4.77 3.76 -3.88 0.07 4.71 -1.26 -4.06 120.64 115.21 1cye n GLU 5 Ca 0.25 -3.65 -0.35 0.00 -0.01 0.00 0.00 57.16 53.40 1cye n GLU 5 Cb 0.72 -2.36 -0.14 0.00 -1.01 0.00 0.00 31.44 28.66 1cye n GLU 5 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1cye s LEU 6 N -3.54 3.08 -0.46 -4.62 0.20 -1.12 -5.06 118.68 107.16 1cye s LEU 6 Ca 0.50 -0.47 -0.29 0.00 0.69 0.00 0.00 54.13 54.56 1cye s LEU 6 Cb 0.32 -1.76 0.01 0.00 -0.43 0.00 0.00 46.19 44.33 1cye s LEU 6 CO -0.25 -0.05 1.39 -0.54 -0.29 0.00 0.00 176.35 176.60 1cye s LYS 7 N 1.48 3.52 -0.06 1.98 1.02 -1.25 -4.54 119.74 121.88 1cye s LYS 7 Ca 0.05 0.78 -0.09 0.00 0.02 0.00 0.00 55.97 56.73 1cye s LYS 7 Cb -0.15 -4.04 -0.05 0.00 -0.52 0.00 0.00 37.83 33.07 1cye s LYS 7 CO -0.02 -1.65 0.24 -0.06 -0.92 0.00 0.00 175.35 172.94 1cye s PHE 8 N 5.52 3.64 -0.31 3.18 0.40 -0.15 -0.89 117.98 129.37 1cye s PHE 8 Ca 0.58 0.68 -0.02 0.00 -0.60 0.00 0.00 56.93 57.57 1cye s PHE 8 Cb -0.12 -2.06 0.05 0.00 0.51 0.00 0.00 43.02 41.40 1cye s PHE 8 CO 0.31 0.69 0.01 -1.17 0.70 0.00 0.00 175.22 175.76 1cye s LEU 9 N -1.16 3.97 -0.69 -0.37 0.20 -0.42 -0.13 118.68 120.08 1cye s LEU 9 Ca 0.20 -1.29 -0.27 0.00 0.69 0.00 0.00 54.13 53.46 1cye s LEU 9 Cb -0.14 -1.72 0.04 0.00 -0.43 0.00 0.00 46.19 43.93 1cye s LEU 9 CO 0.09 -0.27 1.21 0.54 -0.29 0.00 0.00 176.35 177.63 1cye s VAL 10 N 1.26 3.87 -0.96 1.68 0.11 0.51 -1.46 120.40 125.41 1cye s VAL 10 Ca -0.05 0.40 -0.12 0.00 -2.93 0.00 0.00 61.98 59.29 1cye s VAL 10 Cb -0.20 -4.84 0.25 0.00 -1.53 0.00 0.00 36.38 30.06 1cye s VAL 10 CO -0.01 -1.69 0.93 -0.69 -3.33 0.00 0.00 175.10 170.31 1cye s VAL 11 N 5.32 5.78 -0.12 2.04 1.01 0.90 0.12 120.40 135.44 1cye s VAL 11 Ca 0.35 -2.93 0.02 0.00 0.00 0.00 0.00 61.98 59.41 1cye s VAL 11 Cb -0.09 -4.52 0.01 0.00 0.00 0.00 0.00 36.38 31.78 1cye s VAL 11 CO 0.17 -1.10 -0.17 -0.62 0.00 0.00 0.00 175.10 173.37 1cye s ASP 12 N 1.74 2.68 0.56 3.32 -1.08 0.55 -1.44 116.67 123.00 1cye s ASP 12 Ca 0.24 -0.49 0.36 0.00 -0.52 0.00 0.00 52.55 52.14 1cye s ASP 12 Cb -0.10 -1.21 1.74 0.00 -1.46 0.00 0.00 42.92 41.88 1cye s ASP 12 CO -0.09 0.03 2.09 -2.24 0.52 0.00 0.00 175.17 175.48 1cye h ASP 13 N 7.47 0.00 -3.34 -0.34 2.03 -1.67 -3.38 116.42 117.19 1cye h ASP 13 Ca -0.33 0.00 -0.64 0.00 -0.73 0.00 0.00 57.03 55.33 1cye h ASP 13 Cb 1.17 0.00 -0.23 0.00 -0.83 0.00 0.00 39.33 39.44 1cye h ASP 13 CO 0.52 0.00 -0.69 0.12 -1.03 0.00 0.00 179.24 178.16 1cye s PHE 14 N -3.82 2.98 0.13 4.15 5.36 -1.26 -5.02 117.98 120.51 1cye s PHE 14 Ca -0.01 -0.46 -0.32 0.00 -0.96 0.00 0.00 56.93 55.18 1cye s PHE 14 Cb 0.10 -1.98 -0.10 0.00 -0.34 0.00 0.00 43.02 40.71 1cye s PHE 14 CO 0.46 -0.16 1.56 0.66 -1.46 0.00 0.00 175.22 176.27 1cye h SER 15 N 7.01 -1.71 -0.45 6.13 4.64 -2.00 -0.33 113.55 126.84 1cye h SER 15 Ca -0.32 0.22 -0.08 0.00 -0.47 0.00 0.00 61.79 61.13 1cye h SER 15 Cb 1.19 0.69 -0.02 0.00 -0.31 0.00 0.00 62.40 63.96 1cye h SER 15 CO 0.61 -0.44 -0.05 0.71 -0.87 0.00 0.00 176.83 176.80 1cye h THR 16 N -0.47 1.27 -0.82 2.95 1.35 -1.96 -3.07 112.91 112.15 1cye h THR 16 Ca 0.07 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1cye h THR 16 Cb 0.63 1.09 -0.04 0.00 -1.73 0.00 0.00 68.15 68.11 1cye h THR 16 CO -0.52 0.39 0.52 -0.03 -0.25 0.00 0.00 175.52 175.63 1cye h MET 17 N 0.66 1.10 -0.18 4.72 -1.53 -1.80 -1.35 114.93 116.54 1cye h MET 17 Ca 0.12 -0.08 0.04 0.00 -3.44 0.00 0.00 59.70 56.35 1cye h MET 17 Cb 0.56 -0.24 -0.05 0.00 -0.55 0.00 0.00 31.60 31.33 1cye h MET 17 CO 0.03 0.74 -0.10 -0.09 0.14 0.00 0.00 176.91 177.63 1cye h ARG 18 N 1.12 -0.09 -0.65 0.39 2.43 -0.99 -1.30 114.38 115.30 1cye h ARG 18 Ca 0.30 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.40 1cye h ARG 18 Cb -0.09 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1cye h ARG 18 CO -0.06 -0.06 0.10 0.00 -1.51 0.00 0.00 179.97 178.44 1cye h ARG 19 N -0.09 1.06 -0.10 0.20 3.08 -1.35 -2.31 114.38 114.87 1cye h ARG 19 Ca 0.10 -0.28 0.03 0.00 0.07 0.00 0.00 59.98 59.91 1cye h ARG 19 Cb 0.25 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 1cye h ARG 19 CO -0.24 0.97 -0.11 0.82 -1.07 0.00 0.00 179.97 180.34 1cye h ILE 20 N 0.99 0.70 -0.44 2.04 1.08 -0.44 -1.40 117.51 120.04 1cye h ILE 20 Ca 0.20 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.69 1cye h ILE 20 Cb 0.43 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.85 1cye h ILE 20 CO 0.01 0.00 0.26 0.58 -0.69 0.00 0.00 178.15 178.31 1cye h VAL 21 N -0.14 1.04 -0.35 1.67 2.07 -1.07 -0.94 116.25 118.53 1cye h VAL 21 Ca 0.08 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.49 1cye h VAL 21 Cb 0.24 0.47 -0.09 0.00 -1.52 0.00 0.00 31.29 30.40 1cye h VAL 21 CO -0.18 0.09 -0.29 -0.09 0.02 0.00 0.00 177.57 177.12 1cye h ARG 22 N 0.52 -0.24 -0.74 1.57 2.43 -0.95 -0.51 114.38 116.46 1cye h ARG 22 Ca 0.18 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 1cye h ARG 22 Cb 0.02 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1cye h ARG 22 CO -0.09 -0.16 0.30 -0.91 -1.51 0.00 0.00 179.97 177.60 1cye h ASN 23 N -0.25 1.00 0.18 -3.80 2.35 -0.72 -1.28 115.58 113.07 1cye h ASN 23 Ca 0.17 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1cye h ASN 23 Cb 0.52 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1cye h ASN 23 CO -0.49 0.89 -0.13 -0.07 -1.65 0.00 0.00 177.43 175.98 1cye h LEU 24 N 1.07 -0.33 -0.46 1.61 3.38 -0.40 -0.04 115.31 120.13 1cye h LEU 24 Ca 0.25 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.31 1cye h LEU 24 Cb 0.20 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1cye h LEU 24 CO -0.02 -0.21 0.13 -0.07 0.09 0.00 0.00 178.44 178.37 1cye h LEU 25 N -0.31 0.10 -0.29 1.67 3.38 -0.85 -1.13 115.31 117.88 1cye h LEU 25 Ca -0.01 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1cye h LEU 25 Cb 0.27 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 1cye h LEU 25 CO -0.00 0.09 -0.08 0.50 0.09 0.00 0.00 178.44 179.03 1cye h LYS 26 N 0.29 -0.01 -1.00 1.13 3.64 -0.91 0.83 116.57 120.54 1cye h LYS 26 Ca 0.22 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.64 1cye h LYS 26 Cb 0.26 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.02 1cye h LYS 26 CO -0.26 -0.01 0.65 0.93 -2.27 0.00 0.00 179.45 178.50 1cye h GLU 27 N -0.01 1.23 0.00 1.90 5.08 -0.38 -0.51 114.58 121.88 1cye h GLU 27 Ca 0.14 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1cye h GLU 27 Cb 0.23 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1cye h GLU 27 CO -0.30 0.81 0.00 1.28 -1.00 0.00 0.00 179.01 179.80 1cye n LEU 28 N -4.45 0.05 0.00 1.33 4.77 -0.49 -4.88 117.00 113.34 1cye n LEU 28 Ca 0.13 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 1cye n LEU 28 Cb 0.09 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1cye n LEU 28 CO 0.35 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1cye n GLY 29 N 0.29 2.07 3.01 -0.72 0.00 -0.20 -4.97 105.19 104.66 1cye n GLY 29 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1cye n GLY 29 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1cye n PHE 30 N -0.77 3.54 0.53 1.61 3.72 0.20 -4.74 117.46 121.56 1cye n PHE 30 Ca 0.00 -2.94 0.07 0.00 -0.05 0.00 0.00 57.45 54.53 1cye n PHE 30 Cb 0.00 -2.12 0.31 0.00 -0.94 0.00 0.00 39.48 36.73 1cye n PHE 30 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1cye n ASN 31 N 4.78 0.00 -4.40 4.37 3.02 -1.26 -2.96 115.26 118.80 1cye n ASN 31 Ca 0.41 0.35 -0.45 0.00 -0.03 0.00 0.00 54.58 54.86 1cye n ASN 31 Cb 0.38 -0.42 -0.01 0.00 -0.61 0.00 0.00 39.78 39.13 1cye n ASN 31 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1cye s ASN 32 N -2.84 7.00 -0.01 6.41 4.22 -1.26 -4.92 114.94 123.54 1cye s ASN 32 Ca 0.09 -2.91 0.00 0.00 -2.14 0.00 0.00 52.86 47.90 1cye s ASN 32 Cb 0.09 -2.32 0.01 0.00 1.28 0.00 0.00 41.25 40.31 1cye s ASN 32 CO 0.23 -0.66 -0.00 0.54 -2.04 0.00 0.00 177.10 175.17 1cye s VAL 33 N 0.80 0.05 0.25 3.54 0.11 -1.26 -0.98 120.40 122.91 1cye s VAL 33 Ca 0.33 0.01 0.09 0.00 -2.93 0.00 0.00 61.98 59.48 1cye s VAL 33 Cb -0.06 -0.08 -0.04 0.00 -1.53 0.00 0.00 36.38 34.66 1cye s VAL 33 CO -0.06 0.04 0.03 -1.61 -3.33 0.00 0.00 175.10 170.17 1cye s GLU 34 N 0.22 2.41 -0.24 1.54 0.41 0.81 -4.95 118.70 118.90 1cye s GLU 34 Ca -0.02 -1.31 0.01 0.00 -0.41 0.00 0.00 54.97 53.23 1cye s GLU 34 Cb -0.03 -2.25 0.06 0.00 -1.78 0.00 0.00 34.13 30.13 1cye s GLU 34 CO -0.01 0.38 -0.03 -1.21 -0.49 0.00 0.00 175.26 173.91 1cye s GLU 35 N -3.58 1.48 0.24 1.61 2.02 -1.26 -0.36 118.70 118.84 1cye s GLU 35 Ca 0.31 -0.99 0.09 0.00 0.02 0.00 0.00 54.97 54.40 1cye s GLU 35 Cb -0.07 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 1cye s GLU 35 CO 0.20 -0.64 -0.03 0.00 0.02 0.00 0.00 175.26 174.81 1cye s ALA 36 N 1.42 3.10 -0.23 5.21 0.00 0.12 -4.99 121.76 126.39 1cye s ALA 36 Ca -0.04 -1.60 0.03 0.00 0.00 0.00 0.00 51.96 50.35 1cye s ALA 36 Cb -0.19 -0.76 -0.16 0.00 0.00 0.00 0.00 23.12 22.01 1cye s ALA 36 CO -0.08 0.33 -0.18 -0.85 0.00 0.00 0.00 175.76 174.98 1cye n GLU 37 N -0.62 0.63 -4.23 0.00 0.28 -1.26 -0.33 120.64 115.11 1cye n GLU 37 Ca -0.08 0.12 -0.13 0.00 -0.16 0.00 0.00 57.16 56.91 1cye n GLU 37 Cb 0.58 -1.47 -0.10 0.00 1.43 0.00 0.00 31.44 31.88 1cye n GLU 37 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1cye s ASP 38 N -6.18 0.42 0.20 -1.84 1.47 -1.26 -2.08 116.67 107.39 1cye s ASP 38 Ca -0.30 -1.41 -0.17 0.00 1.18 0.00 0.00 52.55 51.86 1cye s ASP 38 Cb 0.08 0.35 0.17 0.00 -0.34 0.00 0.00 42.92 43.18 1cye s ASP 38 CO 0.56 -0.83 1.61 1.23 0.68 0.00 0.00 175.17 178.42 1cye h GLY 39 N 2.55 0.17 0.78 2.12 0.00 -1.44 -0.16 103.07 107.09 1cye h GLY 39 Ca -0.36 0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1cye h GLY 39 CO 0.54 -0.23 -0.24 -2.08 0.00 0.00 0.00 176.54 174.53 1cye h VAL 40 N -0.09 0.49 -0.52 4.60 2.07 -1.88 -2.01 116.25 118.92 1cye h VAL 40 Ca 0.26 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.85 1cye h VAL 40 Cb 0.50 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1cye h VAL 40 CO -0.64 0.00 0.35 -0.78 0.02 0.00 0.00 177.57 176.52 1cye h ASP 41 N -0.54 0.38 0.06 0.57 3.58 -1.76 -1.61 116.42 117.10 1cye h ASP 41 Ca -0.02 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 1cye h ASP 41 Cb 0.48 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1cye h ASP 41 CO -0.02 0.25 -0.03 0.00 -2.88 0.00 0.00 179.24 176.56 1cye h ALA 42 N 1.72 -0.08 -0.49 -0.78 0.00 -0.51 -1.52 119.26 117.60 1cye h ALA 42 Ca 0.23 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1cye h ALA 42 Cb 0.35 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1cye h ALA 42 CO -0.06 -0.44 0.24 -0.07 0.00 0.00 0.00 179.25 178.92 1cye h LEU 43 N -0.28 0.33 -0.09 0.00 3.38 -0.60 0.40 115.31 118.45 1cye h LEU 43 Ca -0.01 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1cye h LEU 43 Cb 0.25 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1cye h LEU 43 CO 0.01 0.23 -0.28 0.78 0.09 0.00 0.00 178.44 179.28 1cye h ASN 44 N 0.47 -0.86 -0.61 -0.43 -0.26 -1.40 -0.58 115.58 111.91 1cye h ASN 44 Ca 0.22 0.13 -0.03 0.00 -0.56 0.00 0.00 56.30 56.05 1cye h ASN 44 Cb 0.14 0.36 -0.03 0.00 -1.06 0.00 0.00 38.32 37.74 1cye h ASN 44 CO -0.16 -0.33 0.25 0.11 -1.06 0.00 0.00 177.43 176.23 1cye h LYS 45 N -0.37 0.91 -0.74 0.81 1.57 -0.59 -2.97 116.57 115.20 1cye h LYS 45 Ca 0.09 -0.16 0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1cye h LYS 45 Cb 0.50 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 1cye h LYS 45 CO -0.30 0.77 0.48 -0.07 -0.57 0.00 0.00 179.45 179.76 1cye h LEU 46 N 0.85 0.61 -2.07 2.94 3.38 0.83 -2.32 115.31 119.53 1cye h LEU 46 Ca 0.20 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.26 1cye h LEU 46 Cb 0.20 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1cye h LEU 46 CO -0.02 0.38 0.35 1.56 0.09 0.00 0.00 178.44 180.80 1cye h GLN 47 N 0.68 0.00 0.00 1.13 7.50 -0.97 -1.44 115.11 122.02 1cye h GLN 47 Ca 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.47 1cye h GLN 47 Cb 0.40 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.92 1cye h GLN 47 CO -0.12 0.00 -0.07 0.00 -1.50 0.00 0.00 178.83 177.14 1cye h ALA 48 N 1.55 1.25 0.00 3.87 0.00 -1.57 -3.49 119.26 120.86 1cye h ALA 48 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1cye h ALA 48 Cb 0.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1cye h ALA 48 CO -0.00 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1cye n GLY 49 N -0.78 -0.79 3.66 0.00 0.00 -0.54 -4.99 105.19 101.75 1cye n GLY 49 Ca -0.02 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.72 2.66 3.67 -0.02 0.00 -1.26 -4.97 105.19 104.55 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 -1.84 2.28 -1.36 1.61 2.02 -1.26 -4.39 117.35 114.41 1cye s TYR 51 Ca 0.00 0.40 0.16 0.00 -0.37 0.00 0.00 57.07 57.26 1cye s TYR 51 Cb 0.00 -3.83 0.46 0.00 -0.40 0.00 0.00 41.96 38.18 1cye s TYR 51 CO 0.00 -3.38 1.38 0.41 -1.57 0.00 0.00 175.55 172.39 1cye n GLY 52 N 3.97 2.67 3.61 0.71 0.00 -0.07 -4.92 105.19 111.15 1cye n GLY 52 Ca 0.16 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.02 -0.40 -0.21 1.61 2.19 -0.91 -4.45 117.98 114.79 1cye s PHE 53 Ca 0.35 0.83 -0.00 0.00 0.33 0.00 0.00 56.93 58.43 1cye s PHE 53 Cb 0.18 0.41 0.06 0.00 -1.31 0.00 0.00 43.02 42.36 1cye s PHE 53 CO 0.23 -0.28 -0.03 0.08 1.83 0.00 0.00 175.22 177.05 1cye s VAL 54 N -0.50 1.17 -0.55 3.12 1.01 -0.24 -1.30 120.40 123.11 1cye s VAL 54 Ca 0.01 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 60.99 1cye s VAL 54 Cb -0.03 -1.48 0.14 0.00 0.00 0.00 0.00 36.38 35.01 1cye s VAL 54 CO -0.02 -0.08 0.42 -0.51 0.00 0.00 0.00 175.10 174.90 1cye s ILE 55 N 1.57 4.26 -0.07 2.22 2.07 -0.54 -0.53 121.20 130.18 1cye s ILE 55 Ca -0.03 -2.14 0.05 0.00 -1.41 0.00 0.00 60.65 57.11 1cye s ILE 55 Cb -0.18 -3.78 -0.01 0.00 0.13 0.00 0.00 42.46 38.63 1cye s ILE 55 CO -0.07 -0.83 -0.22 -0.55 -1.91 0.00 0.00 174.94 171.36 1cye s SER 56 N 2.15 3.34 0.18 4.50 0.15 0.40 -0.07 113.70 124.34 1cye s SER 56 Ca 0.10 -0.45 -0.30 0.00 0.70 0.00 0.00 55.95 56.00 1cye s SER 56 Cb -0.23 -1.03 -0.08 0.00 -1.71 0.00 0.00 66.02 62.98 1cye s SER 56 CO -0.03 0.24 1.23 -1.81 1.20 0.00 0.00 173.24 174.07 1cye s ASP 57 N -0.10 7.04 0.15 5.45 1.01 -0.52 -0.02 116.67 129.68 1cye s ASP 57 Ca -0.05 2.25 -0.17 0.00 0.71 0.00 0.00 52.55 55.30 1cye s ASP 57 Cb -0.14 -2.60 0.06 0.00 1.01 0.00 0.00 42.92 41.24 1cye s ASP 57 CO 0.04 -0.42 1.72 -0.25 0.21 0.00 0.00 175.17 176.47 1cye h TRP 58 N 5.44 0.07 -3.05 4.23 2.91 -1.10 -2.38 115.95 122.07 1cye h TRP 58 Ca -0.44 0.02 -0.73 0.00 1.13 0.00 0.00 58.89 58.87 1cye h TRP 58 Cb 1.21 0.02 -0.22 0.00 -0.51 0.00 0.00 29.16 29.67 1cye h TRP 58 CO 0.63 -0.01 0.08 -0.80 -1.03 0.00 0.00 178.44 177.31 1cye s ASN 59 N -5.29 6.30 -0.02 2.65 -0.87 -1.26 -0.83 114.94 115.63 1cye s ASN 59 Ca -0.13 -1.76 0.03 0.00 -1.57 0.00 0.00 52.86 49.43 1cye s ASN 59 Cb 0.12 -2.27 -0.01 0.00 -0.02 0.00 0.00 41.25 39.07 1cye s ASN 59 CO 0.70 -0.96 -0.11 -0.04 -2.57 0.00 0.00 177.10 174.12 1cye s MET 60 N 2.02 0.99 0.48 -0.60 -1.94 -1.26 -4.74 119.30 114.25 1cye s MET 60 Ca 0.12 -0.39 -0.24 0.00 -1.71 0.00 0.00 55.69 53.46 1cye s MET 60 Cb -0.22 -0.94 -0.08 0.00 2.01 0.00 0.00 34.83 35.61 1cye s MET 60 CO 0.02 0.21 1.36 -0.35 -0.01 0.00 0.00 175.02 176.25 1cye n PRO 61 N 2.94 1.97 0.00 2.03 -0.04 -1.26 -3.01 135.00 137.63 1cye n PRO 61 Ca -0.15 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 1cye n PRO 61 Cb 0.55 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 1cye n PRO 61 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1cye n ASN 62 N -0.34 0.00 -3.97 3.54 0.23 -1.26 -4.36 115.26 109.10 1cye n ASN 62 Ca 0.07 0.00 -0.31 0.00 -0.53 0.00 0.00 54.58 53.82 1cye n ASN 62 Cb 0.42 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.97 1cye n ASN 62 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1cye s MET 63 N 0.00 1.36 1.03 -3.83 0.00 -1.26 -5.04 119.30 111.56 1cye s MET 63 Ca 0.00 -1.70 -0.12 0.00 0.00 0.00 0.00 55.69 53.87 1cye s MET 63 Cb 0.00 -2.96 0.21 0.00 0.00 0.00 0.00 34.83 32.08 1cye s MET 63 CO 0.00 -0.93 1.07 -0.51 0.00 0.00 0.00 175.02 174.65 1cye s ASP 64 N 1.05 2.20 0.15 1.11 1.11 -1.16 -1.43 116.67 119.70 1cye s ASP 64 Ca 0.10 1.51 -0.26 0.00 0.18 0.00 0.00 52.55 54.08 1cye s ASP 64 Cb -0.19 -2.19 -0.00 0.00 1.07 0.00 0.00 42.92 41.61 1cye s ASP 64 CO -0.11 -3.44 1.58 1.23 1.18 0.00 0.00 175.17 175.61 1cye h GLY 65 N -2.10 -0.51 0.77 0.21 0.00 -0.43 -0.25 103.07 100.76 1cye h GLY 65 Ca -0.55 0.50 0.06 0.00 0.00 0.00 0.00 47.33 47.34 1cye h GLY 65 CO 0.52 -0.20 0.65 -2.00 0.00 0.00 0.00 176.54 175.51 1cye h LEU 66 N -0.36 1.05 -0.32 3.11 5.85 -1.85 -0.56 115.31 122.23 1cye h LEU 66 Ca 0.13 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.68 1cye h LEU 66 Cb 0.58 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1cye h LEU 66 CO -0.51 0.68 -0.46 -0.08 -0.34 0.00 0.00 178.44 177.74 1cye h GLU 67 N 1.19 0.87 -0.80 1.25 4.81 -1.66 -2.95 114.58 117.30 1cye h GLU 67 Ca 0.42 -0.51 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1cye h GLU 67 Cb 0.14 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.51 1cye h GLU 67 CO -0.16 1.15 0.50 1.25 -0.73 0.00 0.00 179.01 181.02 1cye h LEU 68 N 0.67 0.81 -0.45 1.64 7.12 -0.27 -2.11 115.31 122.71 1cye h LEU 68 Ca 0.03 0.01 0.09 0.00 0.13 0.00 0.00 57.88 58.14 1cye h LEU 68 Cb 1.06 -0.16 -0.08 0.00 -0.53 0.00 0.00 40.66 40.94 1cye h LEU 68 CO 0.11 0.54 -0.11 0.25 -0.13 0.00 0.00 178.44 179.10 1cye h LEU 69 N 0.95 -0.41 -0.38 2.25 6.46 -0.97 -1.86 115.31 121.34 1cye h LEU 69 Ca 0.34 0.13 0.04 0.00 -0.12 0.00 0.00 57.88 58.27 1cye h LEU 69 Cb 0.09 0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.26 1cye h LEU 69 CO -0.14 -0.14 0.15 0.11 -0.62 0.00 0.00 178.44 177.79 1cye h LYS 70 N 0.01 0.30 0.00 1.25 6.56 -1.23 -0.50 116.57 122.95 1cye h LYS 70 Ca 0.22 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.79 1cye h LYS 70 Cb 0.33 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.92 1cye h LYS 70 CO -0.46 0.20 0.00 -2.37 -2.06 0.00 0.00 179.45 174.76 1cye n THR 71 N -5.00 0.00 0.01 -0.16 5.66 -0.71 -0.56 114.28 113.52 1cye n THR 71 Ca 0.02 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.01 1cye n THR 71 Cb 0.13 -0.45 -0.00 0.00 -1.55 0.00 0.00 70.33 68.45 1cye n THR 71 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1cye n ILE 72 N -0.72 0.69 -0.23 1.09 5.41 -0.74 -4.43 119.36 120.43 1cye n ILE 72 Ca 0.06 0.24 0.04 0.00 1.00 0.00 0.00 62.75 64.08 1cye n ILE 72 Cb 0.03 -1.47 0.16 0.00 -0.71 0.00 0.00 39.64 37.64 1cye n ILE 72 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1cye h ARG 73 N -0.13 0.33 0.00 0.38 2.47 -1.01 0.08 114.38 116.49 1cye h ARG 73 Ca 0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1cye h ARG 73 Cb 0.13 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1cye h ARG 73 CO 0.00 0.22 -0.57 0.00 0.56 0.00 0.00 179.97 180.17 1cye n ALA 74 N -2.58 3.55 -2.68 0.04 0.00 0.28 -4.46 120.51 114.67 1cye n ALA 74 Ca 0.12 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 1cye n ALA 74 Cb 0.39 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 1cye n ALA 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1cye s ASP 75 N -3.17 6.54 0.00 0.00 -1.08 -0.00 -4.93 116.67 114.04 1cye s ASP 75 Ca 0.10 -1.65 0.00 0.00 -0.52 0.00 0.00 52.55 50.48 1cye s ASP 75 Cb 0.17 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 1cye s ASP 75 CO 0.72 -1.37 0.00 0.61 0.52 0.00 0.00 175.17 175.65 1cye n GLY 76 N 6.44 0.00 0.36 2.66 0.00 -1.26 -0.31 105.19 113.08 1cye n GLY 76 Ca 0.30 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.34 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 1.46 0.00 4.61 0.00 -1.92 -2.90 119.26 120.51 1cye h ALA 77 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1cye h ALA 77 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1cye h ALA 77 CO 0.00 0.44 -0.89 -1.33 0.00 0.00 0.00 179.25 177.47 1cye n MET 78 N -4.46 0.26 -0.24 0.00 2.81 0.58 -4.77 117.12 111.30 1cye n MET 78 Ca 0.12 0.02 0.20 0.00 -1.81 0.00 0.00 57.70 56.24 1cye n MET 78 Cb 0.13 -1.61 0.34 0.00 -0.71 0.00 0.00 33.22 31.38 1cye n MET 78 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1cye n SER 79 N -1.95 0.10 0.00 7.83 2.88 -0.09 -2.63 113.62 119.77 1cye n SER 79 Ca 0.03 0.70 0.13 0.00 -1.33 0.00 0.00 58.87 58.39 1cye n SER 79 Cb 0.43 -0.34 0.59 0.00 -0.75 0.00 0.00 64.21 64.14 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 -2.56 2.23 -2.06 -1.46 0.00 -1.26 -4.27 120.51 111.13 1cye n ALA 80 Ca 0.20 -0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 1cye n ALA 80 Cb 0.80 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 1cye n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cye s LEU 81 N -2.86 4.24 0.42 0.00 1.02 -1.08 -4.99 118.68 115.43 1cye s LEU 81 Ca 0.17 2.09 -0.26 0.00 0.02 0.00 0.00 54.13 56.15 1cye s LEU 81 Cb 0.17 -3.53 -0.10 0.00 0.02 0.00 0.00 46.19 42.75 1cye s LEU 81 CO 0.45 -0.97 1.34 -0.81 0.02 0.00 0.00 176.35 176.38 1cye n PRO 82 N 7.17 2.10 -4.22 1.29 -0.04 -1.26 -4.79 135.00 135.26 1cye n PRO 82 Ca 0.17 0.75 -0.31 0.00 -0.04 0.00 0.00 63.50 64.07 1cye n PRO 82 Cb 0.43 -2.48 -0.16 0.00 -0.04 0.00 0.00 33.50 31.25 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 -1.18 1.70 -0.40 0.52 1.01 -1.26 -1.08 120.40 119.72 1cye s VAL 83 Ca 0.60 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 1cye s VAL 83 Cb -0.49 -1.56 0.09 0.00 0.00 0.00 0.00 36.38 34.42 1cye s VAL 83 CO 0.59 0.48 0.19 -0.22 0.00 0.00 0.00 175.10 176.14 1cye s LEU 84 N 1.26 5.05 -0.58 3.92 2.96 0.32 -1.59 118.68 130.01 1cye s LEU 84 Ca 0.01 -1.79 -0.28 0.00 -0.22 0.00 0.00 54.13 51.84 1cye s LEU 84 Cb -0.14 -1.86 0.03 0.00 0.50 0.00 0.00 46.19 44.73 1cye s LEU 84 CO -0.08 -0.51 1.19 -0.04 -1.32 0.00 0.00 176.35 175.60 1cye s MET 85 N 1.23 3.51 -0.72 1.98 -1.94 -0.40 -0.46 119.30 122.50 1cye s MET 85 Ca 0.05 0.24 -0.22 0.00 -1.71 0.00 0.00 55.69 54.04 1cye s MET 85 Cb -0.23 -4.02 0.08 0.00 2.01 0.00 0.00 34.83 32.67 1cye s MET 85 CO -0.02 -1.69 1.02 0.08 -0.01 0.00 0.00 175.02 174.40 1cye s VAL 86 N 4.97 4.34 -0.20 -6.03 1.01 0.98 -0.72 120.40 124.76 1cye s VAL 86 Ca 0.43 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 1cye s VAL 86 Cb -0.07 -4.73 -0.00 0.00 0.00 0.00 0.00 36.38 31.58 1cye s VAL 86 CO 0.25 -1.51 -0.09 0.28 0.00 0.00 0.00 175.10 174.03 1cye s THR 87 N 3.97 3.03 -0.02 3.92 -1.32 0.32 -0.45 115.64 125.09 1cye s THR 87 Ca 0.25 -0.62 0.32 0.00 -1.21 0.00 0.00 61.69 60.43 1cye s THR 87 Cb -0.14 -2.34 0.36 0.00 -1.51 0.00 0.00 72.50 68.87 1cye s THR 87 CO 0.07 0.47 1.93 0.00 -2.21 0.00 0.00 174.62 174.87 1cye h ALA 88 N 7.83 1.00 -2.40 11.08 0.00 -1.84 -3.12 119.26 131.80 1cye h ALA 88 Ca -0.40 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.95 1cye h ALA 88 Cb 1.17 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 18.58 1cye h ALA 88 CO 0.60 0.00 -0.90 -1.83 0.00 0.00 0.00 179.25 177.12 1cye s GLU 89 N -3.60 0.75 -0.72 0.00 4.04 -1.26 -4.83 118.70 113.08 1cye s GLU 89 Ca 0.02 -1.72 -0.27 0.00 0.04 0.00 0.00 54.97 53.04 1cye s GLU 89 Cb 0.09 -1.30 0.02 0.00 0.02 0.00 0.00 34.13 32.96 1cye s GLU 89 CO 0.51 -1.31 1.37 0.00 -1.84 0.00 0.00 175.26 173.98 1cye s ALA 90 N 0.54 2.67 -0.04 -0.84 0.00 -1.26 -4.97 121.76 117.86 1cye s ALA 90 Ca 0.26 -1.25 0.06 0.00 0.00 0.00 0.00 51.96 51.03 1cye s ALA 90 Cb -0.08 -4.26 -0.02 0.00 0.00 0.00 0.00 23.12 18.76 1cye s ALA 90 CO -0.10 -3.37 -0.24 0.21 0.00 0.00 0.00 175.76 172.26 1cye s LYS 91 N 5.92 2.39 0.11 0.00 2.20 -1.26 -5.02 119.74 124.07 1cye s LYS 91 Ca 0.40 -0.88 -0.14 0.00 -0.36 0.00 0.00 55.97 54.99 1cye s LYS 91 Cb -0.09 -2.16 0.04 0.00 -1.51 0.00 0.00 37.83 34.12 1cye s LYS 91 CO 0.16 0.48 0.86 1.17 -0.36 0.00 0.00 175.35 177.66 1cye n LYS 92 N 2.67 -0.19 -0.10 4.03 4.81 -1.26 -0.85 118.16 127.27 1cye n LYS 92 Ca -0.17 0.85 -0.07 0.00 -0.87 0.00 0.00 58.31 58.05 1cye n LYS 92 Cb 0.52 -1.25 0.01 0.00 0.02 0.00 0.00 35.03 34.32 1cye n LYS 92 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1cye h GLU 93 N 0.00 0.29 -0.17 1.64 4.39 -1.99 -1.01 114.58 117.73 1cye h GLU 93 Ca 0.14 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.70 1cye h GLU 93 Cb 0.28 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1cye h GLU 93 CO -0.54 0.19 -0.41 -2.95 -1.16 0.00 0.00 179.01 174.14 1cye h ASN 94 N 0.30 0.41 -0.03 1.42 7.08 -1.37 -1.41 115.58 121.97 1cye h ASN 94 Ca 0.15 -0.18 0.00 0.00 -3.08 0.00 0.00 56.30 53.20 1cye h ASN 94 Cb 0.10 -0.11 -0.00 0.00 -2.08 0.00 0.00 38.32 36.23 1cye h ASN 94 CO -0.14 0.78 0.01 0.40 -2.08 0.00 0.00 177.43 176.40 1cye h ILE 95 N 0.32 0.99 -0.07 6.14 2.04 -0.70 -0.54 117.51 125.68 1cye h ILE 95 Ca 0.03 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.90 1cye h ILE 95 Cb 0.86 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1cye h ILE 95 CO 0.07 0.00 -0.05 0.40 0.00 0.00 0.00 178.15 178.58 1cye h ILE 96 N 0.02 0.85 -0.43 -0.67 1.08 -0.97 -1.52 117.51 115.88 1cye h ILE 96 Ca 0.01 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.57 1cye h ILE 96 Cb 0.01 0.85 -0.08 0.00 -3.07 0.00 0.00 36.82 34.53 1cye h ILE 96 CO -0.02 0.00 -0.11 0.00 -0.69 0.00 0.00 178.15 177.33 1cye h ALA 97 N 1.01 0.27 0.49 1.87 0.00 -0.96 -0.80 119.26 121.16 1cye h ALA 97 Ca 0.05 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1cye h ALA 97 Cb 0.12 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1cye h ALA 97 CO -0.10 -0.46 -0.33 0.00 0.00 0.00 0.00 179.25 178.36 1cye h ALA 98 N 1.41 -0.80 -0.25 0.00 0.00 -0.76 -1.19 119.26 117.67 1cye h ALA 98 Ca 0.21 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1cye h ALA 98 Cb 0.32 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1cye h ALA 98 CO -0.45 -0.97 0.01 0.00 0.00 0.00 0.00 179.25 177.84 1cye h ALA 99 N -0.37 0.22 -0.59 0.00 0.00 -0.86 -1.08 119.26 116.59 1cye h ALA 99 Ca -0.05 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1cye h ALA 99 Cb 0.66 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1cye h ALA 99 CO 0.04 -0.41 0.18 1.96 0.00 0.00 0.00 179.25 181.02 1cye h GLN 100 N 0.08 0.89 0.00 0.00 4.20 -1.04 -2.58 115.11 116.67 1cye h GLN 100 Ca 0.12 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1cye h GLN 100 Cb 0.15 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1cye h GLN 100 CO -0.20 0.77 0.00 0.00 -0.67 0.00 0.00 178.83 178.74 1cye h ALA 101 N 1.33 1.00 0.00 3.87 0.00 -0.75 -3.47 119.26 121.24 1cye h ALA 101 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1cye h ALA 101 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1cye h ALA 101 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1cye n GLY 102 N 0.25 0.80 3.60 0.00 0.00 -0.97 -4.76 105.19 104.12 1cye n GLY 102 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.80 2.92 0.07 4.61 0.00 -0.45 -4.53 121.76 122.57 1cye s ALA 103 Ca 0.00 0.37 0.33 0.00 0.00 0.00 0.00 51.96 52.66 1cye s ALA 103 Cb 0.00 -4.00 1.50 0.00 0.00 0.00 0.00 23.12 20.63 1cye s ALA 103 CO 0.00 -2.54 1.98 0.66 0.00 0.00 0.00 175.76 175.86 1cye h SER 104 N 12.83 0.00 -5.57 0.00 4.64 -1.62 -3.38 113.55 120.46 1cye h SER 104 Ca -0.35 0.00 0.34 0.00 -0.47 0.00 0.00 61.79 61.31 1cye h SER 104 Cb 1.18 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.13 1cye h SER 104 CO 1.02 0.00 0.89 -0.83 -0.87 0.00 0.00 176.83 177.04 1cye s GLY 105 N -3.97 -0.42 -0.06 -0.77 0.00 -0.93 -4.73 107.32 96.44 1cye s GLY 105 Ca 0.00 0.96 -0.06 0.00 0.00 0.00 0.00 44.72 45.62 1cye s GLY 105 CO 0.44 0.22 0.17 -2.52 0.00 0.00 0.00 173.10 171.41 1cye s TYR 106 N -2.27 -0.18 -0.05 1.90 -0.85 -1.26 -1.27 117.35 113.38 1cye s TYR 106 Ca 0.14 0.43 0.04 0.00 -0.52 0.00 0.00 57.07 57.15 1cye s TYR 106 Cb 0.05 0.06 -0.00 0.00 0.38 0.00 0.00 41.96 42.44 1cye s TYR 106 CO -0.05 -0.10 -0.17 0.54 -1.52 0.00 0.00 175.55 174.26 1cye s VAL 107 N 0.02 1.39 -0.04 -3.49 0.11 0.11 -4.91 120.40 113.58 1cye s VAL 107 Ca -0.01 -0.69 -0.29 0.00 -2.93 0.00 0.00 61.98 58.06 1cye s VAL 107 Cb -0.02 -1.20 -0.03 0.00 -1.53 0.00 0.00 36.38 33.60 1cye s VAL 107 CO 0.00 0.40 0.94 -0.69 -3.33 0.00 0.00 175.10 172.43 1cye s VAL 108 N 0.10 4.88 -0.10 2.04 1.01 -1.26 -0.53 120.40 126.54 1cye s VAL 108 Ca -0.05 1.96 -0.15 0.00 0.00 0.00 0.00 61.98 63.74 1cye s VAL 108 Cb -0.12 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 1cye s VAL 108 CO 0.02 0.13 0.38 -1.59 0.00 0.00 0.00 175.10 174.05 1cye s LYS 109 N 1.24 4.18 0.37 2.72 -2.85 -1.18 -3.13 119.74 121.09 1cye s LYS 109 Ca 0.49 0.29 -0.24 0.00 -1.00 0.00 0.00 55.97 55.51 1cye s LYS 109 Cb -0.20 -3.37 -0.10 0.00 -2.06 0.00 0.00 37.83 32.10 1cye s LYS 109 CO 0.24 0.34 0.95 -1.25 0.10 0.00 0.00 175.35 175.73 1cye s PRO 110 N 0.09 4.42 0.14 1.78 0.04 -1.26 -4.59 135.00 135.62 1cye s PRO 110 Ca 0.22 1.24 0.08 0.00 0.04 0.00 0.00 61.00 62.57 1cye s PRO 110 Cb -0.15 -2.52 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 1cye s PRO 110 CO 0.09 0.14 -0.18 -0.59 0.04 0.00 0.00 177.00 176.49 1cye s PHE 111 N -1.87 1.71 0.48 0.56 -0.71 -1.18 -5.16 117.98 111.81 1cye s PHE 111 Ca 0.56 -0.48 0.07 0.00 -1.04 0.00 0.00 56.93 56.04 1cye s PHE 111 Cb -0.14 -0.88 0.03 0.00 -1.21 0.00 0.00 43.02 40.82 1cye s PHE 111 CO 0.19 0.26 0.65 0.95 -1.34 0.00 0.00 175.22 175.94 1cye s THR 112 N -1.90 2.75 0.28 -4.49 -4.23 -1.26 -4.90 115.64 101.89 1cye s THR 112 Ca 0.12 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1cye s THR 112 Cb -0.06 -2.80 0.28 0.00 1.34 0.00 0.00 72.50 71.25 1cye s THR 112 CO 0.05 0.00 1.86 0.00 -0.54 0.00 0.00 174.62 176.00 1cye h ALA 113 N 0.44 1.49 -0.14 3.99 0.00 -1.99 0.86 119.26 123.92 1cye h ALA 113 Ca -0.38 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1cye h ALA 113 Cb 1.28 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1cye h ALA 113 CO 0.45 0.32 -0.05 0.00 0.00 0.00 0.00 179.25 179.97 1cye h ALA 114 N 1.51 0.19 -0.33 0.00 0.00 -1.97 -0.19 119.26 118.47 1cye h ALA 114 Ca 0.46 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1cye h ALA 114 Cb 0.34 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1cye h ALA 114 CO -0.21 -0.04 0.20 1.15 0.00 0.00 0.00 179.25 180.35 1cye h THR 115 N -0.05 1.06 0.20 0.00 2.02 -1.80 -1.40 112.91 112.94 1cye h THR 115 Ca 0.03 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.08 1cye h THR 115 Cb 0.49 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1cye h THR 115 CO 0.02 0.08 -0.24 0.25 0.37 0.00 0.00 175.52 175.99 1cye h LEU 116 N 0.41 -0.65 -0.51 2.58 5.85 -0.73 -2.97 115.31 119.30 1cye h LEU 116 Ca 0.13 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.98 1cye h LEU 116 Cb -0.02 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1cye h LEU 116 CO -0.05 -0.34 0.18 -0.08 -0.34 0.00 0.00 178.44 177.82 1cye h GLU 117 N -0.49 0.35 -0.70 1.25 4.81 -0.71 -1.95 114.58 117.14 1cye h GLU 117 Ca 0.01 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.34 1cye h GLU 117 Cb 0.47 -0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.68 1cye h GLU 117 CO -0.08 0.23 0.27 1.49 -0.73 0.00 0.00 179.01 180.20 1cye h GLU 118 N 0.36 0.42 -0.02 1.92 4.22 -1.10 0.28 114.58 120.65 1cye h GLU 118 Ca 0.24 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.65 1cye h GLU 118 Cb 0.26 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1cye h GLU 118 CO -0.24 0.28 -0.00 0.87 -2.18 0.00 0.00 179.01 177.73 1cye h LYS 119 N 0.43 0.04 -0.26 1.92 1.79 -1.27 -2.42 116.57 116.80 1cye h LYS 119 Ca 0.37 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.88 1cye h LYS 119 Cb 0.53 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.14 1cye h LYS 119 CO -0.37 0.36 -0.00 -0.07 -1.08 0.00 0.00 179.45 178.28 1cye h LEU 120 N -0.28 -0.11 -0.32 2.94 3.38 -0.86 -2.35 115.31 117.73 1cye h LEU 120 Ca 0.01 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1cye h LEU 120 Cb 0.34 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 1cye h LEU 120 CO 0.00 -0.02 0.04 0.78 0.09 0.00 0.00 178.44 179.33 1cye h ASN 121 N 0.08 -0.04 -0.38 -0.43 4.21 -0.93 -0.80 115.58 117.29 1cye h ASN 121 Ca 0.12 0.06 0.07 0.00 1.21 0.00 0.00 56.30 57.76 1cye h ASN 121 Cb 0.16 0.09 -0.06 0.00 -1.12 0.00 0.00 38.32 37.39 1cye h ASN 121 CO -0.21 0.02 0.02 0.50 -1.29 0.00 0.00 177.43 176.46 1cye h LYS 122 N 0.14 0.12 -0.25 0.81 3.64 -1.13 -1.41 116.57 118.49 1cye h LYS 122 Ca 0.15 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1cye h LYS 122 Cb 0.18 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1cye h LYS 122 CO -0.22 0.08 0.14 0.82 -2.27 0.00 0.00 179.45 178.00 1cye h ILE 123 N 0.12 1.10 -0.74 2.00 2.04 -0.95 -2.55 117.51 118.54 1cye h ILE 123 Ca 0.19 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1cye h ILE 123 Cb 0.25 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 1cye h ILE 123 CO -0.30 0.10 0.49 -0.26 0.00 0.00 0.00 178.15 178.18 1cye h PHE 124 N 0.30 0.81 -0.48 1.37 0.04 -0.59 -1.25 116.94 117.13 1cye h PHE 124 Ca 0.09 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 1cye h PHE 124 Cb 0.04 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 1cye h PHE 124 CO -0.04 0.43 0.25 0.93 -0.60 0.00 0.00 178.31 179.29 1cye h GLU 125 N 0.80 0.67 -0.60 1.51 5.08 -0.86 0.26 114.58 121.45 1cye h GLU 125 Ca 0.32 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1cye h GLU 125 Cb 0.21 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1cye h GLU 125 CO -0.10 0.54 0.30 -0.22 -1.00 0.00 0.00 179.01 178.53 1cye h LYS 126 N 0.63 0.85 0.00 2.33 3.64 -1.18 -1.66 116.57 121.19 1cye h LYS 126 Ca 0.17 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1cye h LYS 126 Cb 0.07 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1cye h LYS 126 CO -0.03 0.68 0.00 1.28 -2.27 0.00 0.00 179.45 179.11 1cye n LEU 127 N -4.54 0.00 -1.52 5.20 7.99 -0.54 -4.89 117.00 118.70 1cye n LEU 127 Ca 0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.91 1cye n LEU 127 Cb 0.11 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.42 1cye n LEU 127 CO 0.38 0.00 -0.13 0.61 -1.51 0.00 0.00 177.39 176.73 1cye n GLY 128 N 0.38 -0.13 0.00 -0.72 0.00 -0.62 -5.04 105.19 99.05 1cye n GLY 128 Ca 0.10 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1cye n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35