#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yan s VAL 2 N 0.00 3.86 0.48 0.58 1.01 -1.26 -1.42 120.40 123.65 1yan s VAL 2 Ca 0.00 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 1yan s VAL 2 Cb 0.00 -3.09 -0.08 0.00 0.00 0.00 0.00 36.38 33.21 1yan s VAL 2 CO 0.00 -0.05 1.05 -0.36 0.00 0.00 0.00 175.10 175.74 1yan s PHE 3 N 1.45 3.00 0.29 5.22 0.40 -0.38 -5.01 117.98 122.94 1yan s PHE 3 Ca 0.00 1.58 -0.10 0.00 -0.60 0.00 0.00 56.93 57.81 1yan s PHE 3 Cb -0.18 -3.11 -0.07 0.00 0.51 0.00 0.00 43.02 40.17 1yan s PHE 3 CO 0.02 -0.89 0.62 -1.21 0.70 0.00 0.00 175.22 174.47 1yan s GLU 4 N -3.12 3.81 0.08 0.44 2.02 -1.26 -4.86 118.70 115.81 1yan s GLU 4 Ca 0.66 0.35 -0.20 0.00 0.02 0.00 0.00 54.97 55.80 1yan s GLU 4 Cb -0.18 -2.56 -0.07 0.00 0.10 0.00 0.00 34.13 31.42 1yan s GLU 4 CO 0.22 0.21 1.34 -0.09 0.02 0.00 0.00 175.26 176.96 1yan h ARG 5 N 2.15 -0.21 -0.03 1.61 2.43 -1.96 -1.64 114.38 116.73 1yan h ARG 5 Ca -0.47 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.66 1yan h ARG 5 Cb 1.18 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1yan h ARG 5 CO 0.67 -0.14 -0.25 0.00 -1.51 0.00 0.00 179.97 178.75 1yan h GLU 7 N 0.04 0.00 -0.63 0.00 4.81 -1.86 -1.21 114.58 115.74 1yan h GLU 7 Ca 0.01 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1yan h GLU 7 Cb 0.46 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 1yan h GLU 7 CO 0.03 0.01 0.25 1.25 -0.73 0.00 0.00 179.01 179.82 1yan h LEU 8 N -0.00 0.87 -0.39 1.64 5.85 -0.96 -1.71 115.31 120.61 1yan h LEU 8 Ca 0.00 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1yan h LEU 8 Cb 0.00 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 1yan h LEU 8 CO -0.00 0.80 0.18 0.00 -0.34 0.00 0.00 178.44 179.08 1yan h ALA 9 N 1.10 0.47 -0.62 1.25 0.00 -1.02 0.22 119.26 120.66 1yan h ALA 9 Ca 0.21 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1yan h ALA 9 Cb 0.21 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1yan h ALA 9 CO -0.02 -0.19 0.06 0.00 0.00 0.00 0.00 179.25 179.10 1yan h ARG 10 N 0.37 1.04 -0.44 0.00 3.08 -1.05 -2.17 114.38 115.21 1yan h ARG 10 Ca 0.17 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1yan h ARG 10 Cb 0.09 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1yan h ARG 10 CO -0.13 0.98 0.21 1.15 -1.07 0.00 0.00 179.97 181.11 1yan h THR 11 N 0.97 1.18 -0.73 2.04 2.02 -0.71 -1.92 112.91 115.75 1yan h THR 11 Ca 0.19 -0.51 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 1yan h THR 11 Cb 0.47 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1yan h THR 11 CO 0.02 0.20 0.24 -0.07 0.37 0.00 0.00 175.52 176.27 1yan h LEU 12 N 0.56 1.05 -0.69 2.58 3.38 -0.87 -2.01 115.31 119.31 1yan h LEU 12 Ca 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1yan h LEU 12 Cb 0.12 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1yan h LEU 12 CO -0.02 0.98 0.37 0.50 0.09 0.00 0.00 178.44 180.36 1yan h LYS 13 N 1.07 0.97 -0.18 1.13 3.64 -1.15 -1.93 116.57 120.12 1yan h LYS 13 Ca 0.24 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1yan h LYS 13 Cb 0.29 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1yan h LYS 13 CO -0.01 0.74 -0.11 -0.09 -2.27 0.00 0.00 179.45 177.71 1yan h ARG 14 N 0.96 0.28 -0.06 1.90 2.43 -1.07 -1.76 114.38 117.06 1yan h ARG 14 Ca 0.24 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1yan h ARG 14 Cb 0.06 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1yan h ARG 14 CO -0.04 0.40 0.00 1.28 -1.51 0.00 0.00 179.97 180.11 1yan n LEU 15 N -4.28 0.57 -0.22 3.80 4.77 -0.78 -4.91 117.00 115.94 1yan n LEU 15 Ca -0.00 -0.24 -0.02 0.00 -0.03 0.00 0.00 56.01 55.72 1yan n LEU 15 Cb 0.26 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1yan n LEU 15 CO 0.38 0.12 -0.02 0.61 -1.33 0.00 0.00 177.39 177.15 1yan n GLY 16 N 0.89 0.36 0.13 -0.72 0.00 -0.66 -4.99 105.19 100.20 1yan n GLY 16 Ca 0.14 -0.81 0.12 0.00 0.00 0.00 0.00 46.02 45.47 1yan n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1yan h MET 17 N -0.02 0.00 -6.22 1.61 2.86 -1.58 -3.41 114.93 108.17 1yan h MET 17 Ca -0.04 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.04 1yan h MET 17 Cb 1.03 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.66 1yan h MET 17 CO 0.04 0.00 1.29 0.34 1.06 0.00 0.00 176.91 179.64 1yan s ASP 18 N -5.32 5.79 0.00 1.22 2.15 -1.26 -2.16 116.67 117.09 1yan s ASP 18 Ca 0.02 1.19 0.00 0.00 0.43 0.00 0.00 52.55 54.19 1yan s ASP 18 Cb 0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1yan s ASP 18 CO 0.75 -1.81 0.00 0.61 -0.17 0.00 0.00 175.17 174.55 1yan n GLY 19 N 5.46 0.71 3.64 2.66 0.00 0.12 -4.88 105.19 112.91 1yan n GLY 19 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1yan n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yan s TYR 20 N -2.43 1.27 -1.51 1.61 5.04 -0.92 -1.07 117.35 119.34 1yan s TYR 20 Ca 0.00 -0.11 -0.13 0.00 -2.44 0.00 0.00 57.07 54.39 1yan s TYR 20 Cb 0.00 -4.14 0.08 0.00 0.35 0.00 0.00 41.96 38.25 1yan s TYR 20 CO 0.00 -5.02 0.89 0.54 -1.34 0.00 0.00 175.55 170.61 1yan n ARG 21 N 7.93 -5.16 -0.96 4.97 5.12 -1.26 -1.23 116.66 126.07 1yan n ARG 21 Ca 0.23 0.60 0.00 0.00 -1.93 0.00 0.00 57.85 56.75 1yan n ARG 21 Cb 0.42 -5.47 0.00 0.00 -1.16 0.00 0.00 32.46 26.26 1yan n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yan n GLY 22 N -1.60 0.92 3.56 -0.13 0.00 -0.24 -4.99 105.19 102.72 1yan n GLY 22 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1yan n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yan s VAL 23 N -3.68 5.07 0.63 1.61 1.01 -0.37 -4.88 120.40 119.80 1yan s VAL 23 Ca 0.00 0.34 -0.16 0.00 0.00 0.00 0.00 61.98 62.16 1yan s VAL 23 Cb 0.00 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1yan s VAL 23 CO 0.00 -0.12 1.12 -0.94 0.00 0.00 0.00 175.10 175.17 1yan s SER 24 N 1.72 5.20 0.26 3.32 1.04 -1.26 -0.70 113.70 123.28 1yan s SER 24 Ca 0.17 2.08 -0.02 0.00 0.48 0.00 0.00 55.95 58.66 1yan s SER 24 Cb -0.16 -2.56 0.50 0.00 0.10 0.00 0.00 66.02 63.90 1yan s SER 24 CO 0.12 -1.57 1.77 0.25 0.98 0.00 0.00 173.24 174.79 1yan h LEU 25 N 0.32 0.55 -1.82 2.42 5.85 -1.90 -0.79 115.31 119.94 1yan h LEU 25 Ca -0.48 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.34 1yan h LEU 25 Cb 1.26 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1yan h LEU 25 CO 0.54 0.25 0.14 0.00 -0.34 0.00 0.00 178.44 179.04 1yan h ALA 26 N 1.53 1.91 -0.28 1.25 0.00 -1.92 -0.95 119.26 120.80 1yan h ALA 26 Ca 0.44 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.17 1yan h ALA 26 Cb 0.58 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1yan h ALA 26 CO -0.34 0.07 -0.52 -0.91 0.00 0.00 0.00 179.25 177.55 1yan h ASN 27 N 0.24 0.89 -0.21 0.00 2.35 -1.47 -0.71 115.58 116.68 1yan h ASN 27 Ca 0.08 -0.47 -0.09 0.00 -0.55 0.00 0.00 56.30 55.27 1yan h ASN 27 Cb 0.04 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1yan h ASN 27 CO -0.02 1.25 -0.18 -0.50 -1.65 0.00 0.00 177.43 176.33 1yan h TRP 28 N 0.63 0.71 -0.27 1.19 4.06 -1.11 -0.77 115.95 120.38 1yan h TRP 28 Ca 0.02 -0.14 -0.05 0.00 2.06 0.00 0.00 58.89 60.78 1yan h TRP 28 Cb 1.12 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 29.09 1yan h TRP 28 CO 0.06 0.78 -0.01 0.52 -3.56 0.00 0.00 178.44 176.23 1yan h MET 29 N 0.57 0.49 -0.88 0.49 2.86 -1.02 -1.04 114.93 116.40 1yan h MET 29 Ca 0.09 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1yan h MET 29 Cb 0.63 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.20 1yan h MET 29 CO 0.04 0.66 0.58 0.00 1.06 0.00 0.00 176.91 179.26 1yan h LEU 31 N 1.18 -0.05 -1.02 0.00 5.85 -0.95 -2.24 115.31 118.08 1yan h LEU 31 Ca 0.33 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1yan h LEU 31 Cb -0.12 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1yan h LEU 31 CO -0.08 0.10 0.39 0.00 -0.34 0.00 0.00 178.44 178.51 1yan h ALA 32 N 0.74 1.24 0.49 1.25 0.00 -0.97 -0.02 119.26 121.99 1yan h ALA 32 Ca -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1yan h ALA 32 Cb 0.18 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1yan h ALA 32 CO 0.01 0.59 -0.29 -0.22 0.00 0.00 0.00 179.25 179.35 1yan h LYS 33 N 1.08 -0.71 -0.00 0.00 3.11 -0.99 -1.78 116.57 117.29 1yan h LYS 33 Ca 0.27 0.05 -0.14 0.00 -2.81 0.00 0.00 60.65 58.02 1yan h LYS 33 Cb 0.07 0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.44 1yan h LYS 33 CO -0.04 -0.47 -0.65 -1.49 -2.81 0.00 0.00 179.45 173.99 1yan h TRP 34 N -0.73 0.01 -0.04 1.91 4.06 -1.28 0.16 115.95 120.04 1yan h TRP 34 Ca -0.06 -0.01 -0.04 0.00 2.06 0.00 0.00 58.89 60.84 1yan h TRP 34 Cb 0.59 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.75 1yan h TRP 34 CO -0.09 0.66 -0.14 0.93 -3.56 0.00 0.00 178.44 176.25 1yan h GLU 35 N 0.01 0.16 0.00 0.49 4.39 -0.96 -3.42 114.58 115.25 1yan h GLU 35 Ca -0.01 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1yan h GLU 35 Cb 1.15 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1yan h GLU 35 CO 0.09 0.75 0.00 -1.13 -1.16 0.00 0.00 179.01 177.56 1yan n SER 36 N -4.62 0.18 -1.44 1.42 3.41 -0.72 -4.87 113.62 106.98 1yan n SER 36 Ca -0.08 -0.78 -0.11 0.00 -0.26 0.00 0.00 58.87 57.63 1yan n SER 36 Cb 0.39 0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.41 1yan n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yan n GLY 37 N 0.06 -0.03 2.30 5.00 0.00 0.04 -2.85 105.19 109.71 1yan n GLY 37 Ca 0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 1yan n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1yan n TYR 38 N -3.97 -0.67 -3.71 1.61 4.01 -1.16 -4.77 117.16 108.51 1yan n TYR 38 Ca -0.10 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.26 1yan n TYR 38 Cb 0.58 -3.12 -0.12 0.00 -0.31 0.00 0.00 39.34 36.37 1yan n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1yan s ASN 39 N -2.35 5.31 0.46 7.72 2.47 -1.13 -1.25 114.94 126.16 1yan s ASN 39 Ca 0.00 -0.47 0.30 0.00 0.42 0.00 0.00 52.86 53.11 1yan s ASN 39 Cb 0.00 -1.95 1.16 0.00 -1.45 0.00 0.00 41.25 39.01 1yan s ASN 39 CO 0.00 -0.14 1.88 0.71 -3.72 0.00 0.00 177.10 175.82 1yan h THR 40 N 5.68 0.00 -0.37 -5.21 1.35 -1.56 -3.14 112.91 109.65 1yan h THR 40 Ca -0.34 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1yan h THR 40 Cb 1.15 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1yan h THR 40 CO 0.60 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.76 1yan n ARG 41 N -2.85 2.42 -2.11 4.72 1.85 -1.26 -4.14 116.66 115.28 1yan n ARG 41 Ca 0.01 -2.22 -0.41 0.00 -1.00 0.00 0.00 57.85 54.24 1yan n ARG 41 Cb 0.31 -1.48 -0.02 0.00 -1.05 0.00 0.00 32.46 30.22 1yan n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1yan s ALA 42 N -1.40 3.52 0.02 2.89 0.00 -1.20 -4.82 121.76 120.76 1yan s ALA 42 Ca 0.36 1.25 0.01 0.00 0.00 0.00 0.00 51.96 53.58 1yan s ALA 42 Cb 0.21 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 1yan s ALA 42 CO 0.29 -0.64 -0.04 0.95 0.00 0.00 0.00 175.76 176.33 1yan s THR 43 N -0.84 0.22 -0.16 0.00 -4.23 -1.26 -0.90 115.64 108.48 1yan s THR 43 Ca 0.51 -0.61 -0.03 0.00 -1.18 0.00 0.00 61.69 60.38 1yan s THR 43 Cb -0.40 -0.28 0.05 0.00 1.34 0.00 0.00 72.50 73.21 1yan s THR 43 CO 0.50 -0.26 0.05 0.21 -0.54 0.00 0.00 174.62 174.58 1yan s ASN 44 N -0.92 2.39 -0.02 3.99 2.47 -0.78 -4.98 114.94 117.10 1yan s ASN 44 Ca -0.08 -0.57 -0.27 0.00 0.42 0.00 0.00 52.86 52.36 1yan s ASN 44 Cb -0.06 -0.43 -0.04 0.00 -1.45 0.00 0.00 41.25 39.27 1yan s ASN 44 CO -0.00 -0.30 0.84 -0.47 -3.72 0.00 0.00 177.10 173.45 1yan s TYR 45 N 1.98 3.64 -0.73 0.43 5.04 -1.26 -1.01 117.35 125.44 1yan s TYR 45 Ca 0.01 1.49 -0.12 0.00 -2.44 0.00 0.00 57.07 56.01 1yan s TYR 45 Cb -0.16 -2.95 0.19 0.00 0.35 0.00 0.00 41.96 39.39 1yan s TYR 45 CO -0.07 0.07 0.66 -0.80 -1.34 0.00 0.00 175.55 174.06 1yan s ASN 46 N 0.75 6.40 0.60 4.32 0.01 0.24 -4.92 114.94 122.34 1yan s ASN 46 Ca 0.44 -2.53 0.30 0.00 -0.71 0.00 0.00 52.86 50.36 1yan s ASN 46 Cb -0.20 -2.15 1.74 0.00 0.41 0.00 0.00 41.25 41.06 1yan s ASN 46 CO 0.23 -0.60 2.15 0.00 -1.51 0.00 0.00 177.10 177.38 1yan h ALA 47 N 7.89 1.67 -0.09 0.60 0.00 -1.95 -0.70 119.26 126.67 1yan h ALA 47 Ca 0.01 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1yan h ALA 47 Cb 1.04 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1yan h ALA 47 CO 0.80 -0.20 -0.32 0.78 0.00 0.00 0.00 179.25 180.30 1yan h GLY 48 N 0.00 0.20 0.00 0.00 0.00 -1.94 -3.33 103.07 97.99 1yan h GLY 48 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1yan h GLY 48 CO -0.00 0.15 0.00 2.09 0.00 0.00 0.00 176.54 178.78 1yan n ASP 49 N -4.11 0.75 -1.33 0.19 5.75 -0.99 -5.02 116.55 111.79 1yan n ASP 49 Ca -0.01 -1.30 -0.14 0.00 -0.01 0.00 0.00 54.79 53.32 1yan n ASP 49 Cb 0.40 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.46 1yan n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1yan n ARG 50 N -0.15 -1.06 -3.75 0.11 1.74 -0.30 -4.78 116.66 108.46 1yan n ARG 50 Ca 0.00 0.87 -0.21 0.00 -0.77 0.00 0.00 57.85 57.74 1yan n ARG 50 Cb 0.30 -5.07 -0.04 0.00 -1.02 0.00 0.00 32.46 26.63 1yan n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1yan s SER 51 N -2.64 5.03 0.01 0.55 1.04 -1.20 -4.47 113.70 112.02 1yan s SER 51 Ca 0.00 -0.69 0.02 0.00 0.48 0.00 0.00 55.95 55.75 1yan s SER 51 Cb 0.00 -0.71 -0.01 0.00 0.10 0.00 0.00 66.02 65.40 1yan s SER 51 CO 0.00 -0.51 -0.06 -0.89 0.98 0.00 0.00 173.24 172.76 1yan s THR 52 N -2.42 0.47 -0.13 2.02 2.01 -1.26 -0.59 115.64 115.74 1yan s THR 52 Ca 0.44 -0.44 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 1yan s THR 52 Cb -0.03 -0.44 -0.05 0.00 0.01 0.00 0.00 72.50 71.99 1yan s THR 52 CO 0.26 0.01 0.28 -1.81 -0.69 0.00 0.00 174.62 172.66 1yan s ASP 53 N -0.48 6.48 -0.08 3.53 1.01 -0.18 -1.42 116.67 125.53 1yan s ASP 53 Ca -0.01 0.56 0.05 0.00 0.71 0.00 0.00 52.55 53.86 1yan s ASP 53 Cb -0.04 -2.17 -0.00 0.00 1.01 0.00 0.00 42.92 41.72 1yan s ASP 53 CO -0.00 0.20 -0.24 -0.31 0.21 0.00 0.00 175.17 175.03 1yan s TYR 54 N -0.08 2.44 0.00 4.23 2.02 0.19 -1.87 117.35 124.29 1yan s TYR 54 Ca 0.17 -0.88 0.00 0.00 -0.37 0.00 0.00 57.07 55.99 1yan s TYR 54 Cb -0.13 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 1yan s TYR 54 CO 0.05 -0.33 0.00 0.41 -1.57 0.00 0.00 175.55 174.12 1yan n GLY 55 N 3.29 -1.59 0.35 0.71 0.00 -0.08 -1.65 105.19 106.23 1yan n GLY 55 Ca -0.18 -1.30 0.13 0.00 0.00 0.00 0.00 46.02 44.66 1yan n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1yan h ILE 56 N 0.00 0.88 -0.07 -0.61 2.10 -1.70 -1.31 117.51 116.79 1yan h ILE 56 Ca 0.00 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.81 1yan h ILE 56 Cb 0.00 0.47 0.00 0.00 -1.09 0.00 0.00 36.82 36.20 1yan h ILE 56 CO 0.00 0.07 0.00 0.49 -1.08 0.00 0.00 178.15 177.63 1yan n PHE 57 N -4.47 0.07 -3.64 2.19 3.72 -1.26 -4.04 117.46 110.03 1yan n PHE 57 Ca 0.10 -0.04 -0.28 0.00 -0.05 0.00 0.00 57.45 57.18 1yan n PHE 57 Cb 0.39 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.97 1yan n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1yan n GLN 58 N 1.21 -1.80 -2.72 -1.08 1.13 -0.50 -4.92 117.38 108.71 1yan n GLN 58 Ca 0.13 0.52 -0.42 0.00 -1.94 0.00 0.00 57.00 55.30 1yan n GLN 58 Cb 0.54 -4.48 -0.03 0.00 0.11 0.00 0.00 30.24 26.38 1yan n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1yan s ILE 59 N -3.50 4.82 0.15 5.09 1.01 -0.66 -4.41 121.20 123.71 1yan s ILE 59 Ca 0.41 2.05 -0.29 0.00 0.00 0.00 0.00 60.65 62.82 1yan s ILE 59 Cb -0.13 -4.31 -0.07 0.00 0.01 0.00 0.00 42.46 37.95 1yan s ILE 59 CO 0.84 0.18 0.91 0.21 0.00 0.00 0.00 174.94 177.08 1yan s ASN 60 N 0.86 7.50 0.39 3.58 3.84 -1.26 -0.63 114.94 129.22 1yan s ASN 60 Ca 0.51 1.79 0.28 0.00 0.21 0.00 0.00 52.86 55.64 1yan s ASN 60 Cb -0.21 -2.57 1.07 0.00 -0.55 0.00 0.00 41.25 38.99 1yan s ASN 60 CO 0.28 0.05 1.82 0.77 -2.79 0.00 0.00 177.10 177.23 1yan h SER 61 N 4.97 0.00 0.48 -4.21 4.64 -1.49 -2.32 113.55 115.62 1yan h SER 61 Ca -0.44 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.84 1yan h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1yan h SER 61 CO 0.70 0.00 -0.18 -0.09 -0.87 0.00 0.00 176.83 176.39 1yan h ARG 62 N 0.00 0.00 0.00 4.77 2.43 -1.84 -3.39 114.38 116.36 1yan h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1yan h ARG 62 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1yan h ARG 62 CO 0.00 0.18 -0.54 0.66 -1.51 0.00 0.00 179.97 178.76 1yan n TYR 63 N -3.66 0.00 -0.05 2.20 4.01 -1.22 -0.40 117.16 118.04 1yan n TYR 63 Ca -0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.59 1yan n TYR 63 Cb 0.30 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.19 1yan n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1yan n TRP 64 N -1.63 0.72 -4.16 -0.72 7.02 -0.88 -0.45 117.44 117.35 1yan n TRP 64 Ca 0.00 0.21 -0.10 0.00 -1.02 0.00 0.00 57.50 56.59 1yan n TRP 64 Cb 0.27 -1.11 -0.10 0.00 -2.42 0.00 0.00 31.31 27.95 1yan n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1yan s ASN 66 N -3.05 5.44 0.00 0.00 2.47 -0.21 -4.60 114.94 114.98 1yan s ASN 66 Ca 0.21 -0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.46 1yan s ASN 66 Cb 0.07 -1.95 0.00 0.00 -1.45 0.00 0.00 41.25 37.92 1yan s ASN 66 CO 0.00 0.09 0.64 -0.90 -3.72 0.00 0.00 177.10 173.21 1yan n ASP 67 N 4.06 1.23 0.00 -4.21 5.68 -1.26 -1.37 116.55 120.68 1yan n ASP 67 Ca -0.16 -1.35 0.00 0.00 -0.50 0.00 0.00 54.79 52.77 1yan n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1yan n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yan n GLY 68 N -0.18 1.62 0.90 6.12 0.00 -1.26 -4.69 105.19 107.70 1yan n GLY 68 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1yan n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1yan n LYS 69 N -0.92 2.05 -3.27 1.61 2.85 -1.26 -4.91 118.16 114.32 1yan n LYS 69 Ca 0.00 -1.87 -0.39 0.00 -1.05 0.00 0.00 58.31 54.99 1yan n LYS 69 Cb 0.00 -1.42 -0.07 0.00 -0.65 0.00 0.00 35.03 32.89 1yan n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1yan s THR 70 N -1.66 5.11 0.45 0.58 2.01 -1.26 -4.96 115.64 115.92 1yan s THR 70 Ca 0.27 0.87 -0.23 0.00 0.31 0.00 0.00 61.69 62.91 1yan s THR 70 Cb 0.18 -3.81 -0.07 0.00 0.01 0.00 0.00 72.50 68.81 1yan s THR 70 CO 0.27 0.15 1.20 -2.84 -0.69 0.00 0.00 174.62 172.71 1yan s PRO 71 N 1.91 3.75 -1.57 4.92 0.02 -1.26 -3.67 135.00 139.10 1yan s PRO 71 Ca 0.22 1.88 -0.16 0.00 0.02 0.00 0.00 61.00 62.96 1yan s PRO 71 Cb -0.15 -2.47 0.13 0.00 0.02 0.00 0.00 34.50 32.03 1yan s PRO 71 CO 0.09 -0.59 0.75 0.41 -0.33 0.00 0.00 177.00 177.34 1yan n GLY 72 N 0.54 -0.47 3.94 0.52 0.00 -1.26 -4.94 105.19 103.52 1yan n GLY 72 Ca 0.07 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1yan n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yan s ALA 73 N -3.19 3.87 0.48 4.61 0.00 -1.24 -4.98 121.76 121.31 1yan s ALA 73 Ca 0.66 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 51.40 1yan s ALA 73 Cb -0.35 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 1yan s ALA 73 CO 0.81 0.28 0.05 0.14 0.00 0.00 0.00 175.76 177.04 1yan s VAL 74 N -1.97 0.97 -0.40 0.00 -7.23 0.46 -4.99 120.40 107.24 1yan s VAL 74 Ca 0.34 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.58 1yan s VAL 74 Cb -0.09 -2.23 0.23 0.00 0.56 0.00 0.00 36.38 34.85 1yan s VAL 74 CO 0.28 0.00 0.51 -3.20 -0.31 0.00 0.00 175.10 172.38 1yan n ASN 75 N -1.29 -0.23 0.25 4.85 5.15 -1.19 -3.78 115.26 119.03 1yan n ASN 75 Ca -0.15 -2.67 0.09 0.00 -0.60 0.00 0.00 54.58 51.26 1yan n ASN 75 Cb 0.66 -0.42 0.65 0.00 -0.53 0.00 0.00 39.78 40.14 1yan n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1yan h ALA 76 N 4.36 1.57 -0.00 5.20 0.00 -0.80 -1.51 119.26 128.08 1yan h ALA 76 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1yan h ALA 76 Cb 0.90 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1yan h ALA 76 CO 0.42 0.15 -0.23 0.00 0.00 0.00 0.00 179.25 179.59 1yan n HIS 78 N -1.50 -2.12 -4.09 0.00 -0.00 -0.57 -4.98 115.22 101.97 1yan n HIS 78 Ca 0.06 0.85 -0.11 0.00 -0.00 0.00 0.00 57.72 58.53 1yan n HIS 78 Cb 0.34 -4.55 -0.11 0.00 -0.00 0.00 0.00 29.99 25.67 1yan n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yan s LEU 79 N -6.31 2.36 0.26 2.41 1.43 -1.26 -5.07 118.68 112.50 1yan s LEU 79 Ca 0.12 -0.73 -0.29 0.00 -1.03 0.00 0.00 54.13 52.19 1yan s LEU 79 Cb -0.02 -0.06 -0.09 0.00 0.03 0.00 0.00 46.19 46.04 1yan s LEU 79 CO 0.77 -0.34 0.96 -0.55 0.23 0.00 0.00 176.35 177.42 1yan s SER 80 N -2.15 7.54 0.63 2.29 0.15 -1.26 -1.05 113.70 119.85 1yan s SER 80 Ca -0.02 1.97 0.37 0.00 0.70 0.00 0.00 55.95 58.96 1yan s SER 80 Cb -0.03 -2.61 2.07 0.00 -1.71 0.00 0.00 66.02 63.74 1yan s SER 80 CO -0.02 0.07 2.27 0.00 1.20 0.00 0.00 173.24 176.76 1yan h SER 82 N 0.00 0.54 0.11 0.00 0.87 -1.91 -0.73 113.55 112.43 1yan h SER 82 Ca 0.01 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1yan h SER 82 Cb 0.12 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1yan h SER 82 CO -0.00 0.33 -0.03 0.00 -0.53 0.00 0.00 176.83 176.59 1yan h ALA 83 N 1.64 1.43 -0.17 6.23 0.00 -1.64 -0.74 119.26 126.02 1yan h ALA 83 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1yan h ALA 83 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1yan h ALA 83 CO -0.10 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.47 1yan n LEU 84 N -3.75 1.10 -0.31 0.00 4.77 -0.28 -3.44 117.00 115.09 1yan n LEU 84 Ca -0.03 -0.52 0.03 0.00 -0.03 0.00 0.00 56.01 55.47 1yan n LEU 84 Cb 0.13 -0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.19 1yan n LEU 84 CO 0.28 0.26 0.57 0.18 -1.33 0.00 0.00 177.39 177.34 1yan n LEU 85 N 0.04 2.50 -4.85 2.23 4.77 -0.28 -3.35 117.00 118.05 1yan n LEU 85 Ca 0.11 -2.11 -0.31 0.00 -0.03 0.00 0.00 56.01 53.67 1yan n LEU 85 Cb 0.20 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1yan n LEU 85 CO 0.08 0.62 0.71 -1.10 -1.33 0.00 0.00 177.39 176.37 1yan s GLN 86 N -1.19 3.45 0.22 3.23 -0.21 -1.22 -4.57 119.66 119.38 1yan s GLN 86 Ca 0.13 0.85 0.06 0.00 0.02 0.00 0.00 55.36 56.43 1yan s GLN 86 Cb 0.08 -2.06 0.20 0.00 1.00 0.00 0.00 33.01 32.23 1yan s GLN 86 CO 0.07 -0.69 1.52 -0.44 -2.12 0.00 0.00 175.29 173.63 1yan h ASP 87 N -0.23 0.17 -3.40 5.90 3.32 -1.93 -3.41 116.42 116.84 1yan h ASP 87 Ca -0.44 -0.11 -0.59 0.00 0.02 0.00 0.00 57.03 55.91 1yan h ASP 87 Cb 1.20 -0.05 -0.08 0.00 0.22 0.00 0.00 39.33 40.61 1yan h ASP 87 CO 0.60 0.81 0.63 0.21 -1.72 0.00 0.00 179.24 179.77 1yan s ASN 88 N -6.88 6.77 -0.02 6.45 3.84 -1.26 -4.89 114.94 118.96 1yan s ASN 88 Ca -0.03 0.78 0.08 0.00 0.21 0.00 0.00 52.86 53.91 1yan s ASN 88 Cb 0.12 -2.48 0.27 0.00 -0.55 0.00 0.00 41.25 38.61 1yan s ASN 88 CO 0.80 -0.79 1.17 2.30 -2.79 0.00 0.00 177.10 177.79 1yan n ILE 89 N 5.80 0.52 -0.14 -5.21 -5.35 -1.26 -4.46 119.36 109.25 1yan n ILE 89 Ca 0.08 -0.42 -0.03 0.00 -0.27 0.00 0.00 62.75 62.11 1yan n ILE 89 Cb 0.48 0.08 0.05 0.00 -1.74 0.00 0.00 39.64 38.51 1yan n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1yan h ALA 90 N 3.40 0.48 -0.44 -1.28 0.00 -1.95 0.54 119.26 120.01 1yan h ALA 90 Ca 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1yan h ALA 90 Cb 0.52 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1yan h ALA 90 CO 0.04 -0.34 -0.17 -0.44 0.00 0.00 0.00 179.25 178.34 1yan h ASP 91 N 0.19 0.92 -0.72 0.00 3.32 -1.88 -1.26 116.42 116.99 1yan h ASP 91 Ca 0.23 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1yan h ASP 91 Cb 0.31 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1yan h ASP 91 CO -0.32 1.10 0.40 0.00 -1.72 0.00 0.00 179.24 178.70 1yan h ALA 92 N 0.85 1.33 -0.35 3.45 0.00 -1.66 -1.44 119.26 121.43 1yan h ALA 92 Ca 0.10 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1yan h ALA 92 Cb 0.73 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1yan h ALA 92 CO 0.06 0.55 -0.24 0.28 0.00 0.00 0.00 179.25 179.90 1yan h VAL 93 N 1.02 1.29 -0.31 0.00 2.07 -0.66 -0.62 116.25 119.03 1yan h VAL 93 Ca 0.26 -1.39 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 1yan h VAL 93 Cb 0.03 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1yan h VAL 93 CO -0.04 0.46 0.02 0.00 0.02 0.00 0.00 177.57 178.03 1yan h ALA 94 N 0.77 1.47 -0.04 1.67 0.00 -0.82 -1.39 119.26 120.92 1yan h ALA 94 Ca 0.07 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 1yan h ALA 94 Cb 0.80 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1yan h ALA 94 CO 0.07 0.38 -0.94 0.00 0.00 0.00 0.00 179.25 178.75 1yan h ALA 96 N 0.53 1.42 -0.50 0.00 0.00 -0.70 -0.39 119.26 119.63 1yan h ALA 96 Ca -0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1yan h ALA 96 Cb 1.58 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1yan h ALA 96 CO 0.18 0.48 0.11 0.87 0.00 0.00 0.00 179.25 180.90 1yan h LYS 97 N 0.90 0.77 -0.26 0.00 1.57 -1.18 -2.21 116.57 116.17 1yan h LYS 97 Ca 0.23 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1yan h LYS 97 Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1yan h LYS 97 CO -0.04 0.70 -0.03 -0.09 -0.57 0.00 0.00 179.45 179.42 1yan h ARG 98 N 0.74 0.48 -0.67 3.15 9.65 -1.00 -2.63 114.38 124.10 1yan h ARG 98 Ca 0.16 -0.17 0.06 0.00 -1.10 0.00 0.00 59.98 58.94 1yan h ARG 98 Cb 0.29 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.78 1yan h ARG 98 CO -0.00 0.67 0.37 0.28 2.80 0.00 0.00 179.97 184.09 1yan h VAL 99 N 0.24 0.96 0.00 0.20 2.07 -0.80 -1.84 116.25 117.07 1yan h VAL 99 Ca 0.07 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1yan h VAL 99 Cb 0.48 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1yan h VAL 99 CO 0.02 0.12 0.00 1.33 0.02 0.00 0.00 177.57 179.06 1yan n VAL 100 N -4.79 0.50 0.75 2.57 0.24 -0.86 -2.51 118.33 114.23 1yan n VAL 100 Ca 0.08 -0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.49 1yan n VAL 100 Cb 0.18 -0.73 0.46 0.00 -1.47 0.00 0.00 33.84 32.28 1yan n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1yan n ARG 101 N -1.85 0.01 -1.98 7.34 0.63 -0.69 -4.15 116.66 115.96 1yan n ARG 101 Ca 0.05 0.13 -0.31 0.00 -0.92 0.00 0.00 57.85 56.80 1yan n ARG 101 Cb 0.32 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.73 1yan n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1yan s ASP 102 N -2.98 6.30 0.00 6.15 1.11 -1.05 -4.96 116.67 121.24 1yan s ASP 102 Ca 0.11 1.43 0.00 0.00 0.18 0.00 0.00 52.55 54.27 1yan s ASP 102 Cb 0.14 -2.47 0.00 0.00 1.07 0.00 0.00 42.92 41.66 1yan s ASP 102 CO 0.39 -0.81 0.76 -0.81 1.18 0.00 0.00 175.17 175.87 1yan n PRO 103 N -2.54 0.00 -0.02 8.23 -0.04 -1.26 -1.23 135.00 138.14 1yan n PRO 103 Ca 0.06 0.27 0.08 0.00 -0.04 0.00 0.00 63.50 63.86 1yan n PRO 103 Cb 0.54 -1.71 -0.16 0.00 -0.04 0.00 0.00 33.50 32.13 1yan n PRO 103 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1yan n GLN 104 N -1.26 0.66 0.00 0.54 6.02 -1.26 -5.07 117.38 117.02 1yan n GLN 104 Ca 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 1yan n GLN 104 Cb 0.21 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.97 1yan n GLN 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1yan n GLY 105 N 1.38 2.42 0.26 1.08 0.00 -0.36 -2.10 105.19 107.87 1yan n GLY 105 Ca -0.08 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.68 1yan n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1yan h ILE 106 N 0.00 0.54 0.00 -0.61 6.09 -1.90 -2.35 117.51 119.28 1yan h ILE 106 Ca 0.00 -0.55 0.00 0.00 -1.37 0.00 0.00 64.86 62.94 1yan h ILE 106 Cb 0.00 1.36 0.00 0.00 0.47 0.00 0.00 36.82 38.65 1yan h ILE 106 CO 0.00 0.12 0.00 0.54 -3.07 0.00 0.00 178.15 175.74 1yan n ARG 107 N -3.61 0.14 -0.01 2.19 1.74 -0.89 -2.50 116.66 113.72 1yan n ARG 107 Ca -0.02 0.58 0.16 0.00 -0.77 0.00 0.00 57.85 57.81 1yan n ARG 107 Cb 0.24 -1.91 0.62 0.00 -1.02 0.00 0.00 32.46 30.40 1yan n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yan h ALA 108 N 2.06 2.29 -2.25 7.54 0.00 -1.56 -3.37 119.26 123.97 1yan h ALA 108 Ca 0.00 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.25 1yan h ALA 108 Cb 0.08 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.72 1yan h ALA 108 CO 0.00 -0.43 0.12 -1.58 0.00 0.00 0.00 179.25 177.37 1yan s TRP 109 N -5.15 3.10 0.43 0.00 0.51 -1.04 -4.94 118.94 111.85 1yan s TRP 109 Ca -0.06 0.12 0.09 0.00 -2.12 0.00 0.00 56.10 54.13 1yan s TRP 109 Cb 0.19 -3.24 0.93 0.00 -0.81 0.00 0.00 33.47 30.54 1yan s TRP 109 CO 0.73 -0.75 2.05 0.28 -0.51 0.00 0.00 176.95 178.75 1yan h VAL 110 N 5.78 1.06 -0.35 4.03 2.07 -1.89 -0.68 116.25 126.27 1yan h VAL 110 Ca -0.26 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1yan h VAL 110 Cb 1.10 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1yan h VAL 110 CO 0.86 0.09 0.21 0.00 0.02 0.00 0.00 177.57 178.75 1yan h ALA 111 N 1.76 1.70 -0.50 1.67 0.00 -1.93 -1.65 119.26 120.32 1yan h ALA 111 Ca 0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1yan h ALA 111 Cb 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1yan h ALA 111 CO -0.04 0.26 0.18 2.35 0.00 0.00 0.00 179.25 182.00 1yan h TRP 112 N 0.48 0.78 -0.22 0.00 7.01 -1.44 -0.72 115.95 121.84 1yan h TRP 112 Ca 0.13 -0.07 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 1yan h TRP 112 Cb -0.01 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 26.81 1yan h TRP 112 CO 0.00 0.66 0.13 0.00 -2.79 0.00 0.00 178.44 176.44 1yan h ARG 113 N 0.67 0.29 0.08 2.65 3.08 -1.38 0.18 114.38 119.95 1yan h ARG 113 Ca 0.16 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1yan h ARG 113 Cb 0.23 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1yan h ARG 113 CO -0.01 0.25 -0.04 -0.91 -1.07 0.00 0.00 179.97 178.19 1yan h ASN 114 N 0.26 -0.09 -0.01 7.04 2.35 -1.14 -3.35 115.58 120.64 1yan h ASN 114 Ca 0.08 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1yan h ASN 114 Cb 0.03 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.42 1yan h ASN 114 CO -0.01 0.02 -0.34 -2.11 -1.65 0.00 0.00 177.43 173.34 1yan n ARG 115 N -5.09 2.42 -0.00 0.81 0.00 -0.29 -4.84 116.66 109.67 1yan n ARG 115 Ca -0.08 -0.44 -0.00 0.00 -0.00 0.00 0.00 57.85 57.33 1yan n ARG 115 Cb 0.11 -1.10 -0.00 0.00 -0.00 0.00 0.00 32.46 31.47 1yan n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1yan n GLN 117 N -2.66 1.80 -2.32 0.00 7.27 -0.03 -2.14 117.38 119.31 1yan n GLN 117 Ca -0.01 0.64 -0.19 0.00 0.07 0.00 0.00 57.00 57.52 1yan n GLN 117 Cb 0.50 -2.31 -0.02 0.00 2.41 0.00 0.00 30.24 30.83 1yan n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1yan n ASN 118 N 2.55 -5.42 -4.56 1.69 5.03 -1.26 -4.98 115.26 108.31 1yan n ASN 118 Ca 0.15 0.08 -0.26 0.00 0.87 0.00 0.00 54.58 55.42 1yan n ASN 118 Cb 0.28 -4.56 -0.11 0.00 -1.02 0.00 0.00 39.78 34.37 1yan n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1yan s ARG 119 N -4.89 1.85 -0.66 3.52 0.52 -0.91 -5.07 118.95 113.31 1yan s ARG 119 Ca 0.00 -2.01 -0.26 0.00 -0.52 0.00 0.00 55.73 52.94 1yan s ARG 119 Cb 0.00 -1.52 0.04 0.00 0.52 0.00 0.00 34.95 33.99 1yan s ARG 119 CO 0.00 -0.01 1.13 0.34 0.02 0.00 0.00 175.30 176.79 1yan s ASP 120 N -3.63 6.25 0.00 0.23 -1.08 -1.26 -4.84 116.67 112.34 1yan s ASP 120 Ca 0.34 -0.44 0.22 0.00 -0.52 0.00 0.00 52.55 52.16 1yan s ASP 120 Cb 0.07 -2.51 0.48 0.00 -1.46 0.00 0.00 42.92 39.51 1yan s ASP 120 CO 0.17 -1.57 1.43 1.33 0.52 0.00 0.00 175.17 177.04 1yan n VAL 121 N 6.31 0.66 -0.35 1.11 0.24 -1.26 -4.52 118.33 120.51 1yan n VAL 121 Ca 0.02 -0.83 0.06 0.00 -2.04 0.00 0.00 64.34 61.55 1yan n VAL 121 Cb 0.48 0.84 0.23 0.00 -1.47 0.00 0.00 33.84 33.92 1yan n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1yan h ARG 122 N 4.31 1.00 -0.80 7.34 -0.00 -1.92 -2.40 114.38 121.91 1yan h ARG 122 Ca 0.00 -0.06 0.23 0.00 -0.50 0.00 0.00 59.98 59.65 1yan h ARG 122 Cb 0.97 -0.23 -0.03 0.00 0.00 0.00 0.00 29.97 30.69 1yan h ARG 122 CO 0.00 0.66 0.58 -0.56 0.00 0.00 0.00 179.97 180.65 1yan h GLN 123 N 1.03 0.01 0.00 0.04 3.07 -1.98 -1.46 115.11 115.83 1yan h GLN 123 Ca 0.46 -0.00 -0.06 0.00 0.09 0.00 0.00 58.65 59.14 1yan h GLN 123 Cb 0.37 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.92 1yan h GLN 123 CO -0.21 0.01 -0.28 1.88 0.09 0.00 0.00 178.83 180.32 1yan h TYR 124 N 0.01 0.00 -0.04 0.06 0.05 -1.77 -3.20 116.97 112.09 1yan h TYR 124 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.16 1yan h TYR 124 Cb 1.51 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.25 1yan h TYR 124 CO -0.00 0.28 0.00 1.33 -1.05 0.00 0.00 178.16 178.72 1yan n VAL 125 N -4.02 0.06 -2.18 -2.88 0.24 -0.58 -4.84 118.33 104.14 1yan n VAL 125 Ca -0.02 -0.53 -0.42 0.00 -2.04 0.00 0.00 64.34 61.33 1yan n VAL 125 Cb 0.34 1.20 -0.03 0.00 -1.47 0.00 0.00 33.84 33.88 1yan n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1yan s GLN 126 N -0.97 4.34 0.00 7.34 -1.52 -1.04 -2.47 119.66 125.33 1yan s GLN 126 Ca 0.14 2.08 0.00 0.00 -1.95 0.00 0.00 55.36 55.63 1yan s GLN 126 Cb 0.10 -3.23 0.00 0.00 -0.22 0.00 0.00 33.01 29.66 1yan s GLN 126 CO 0.15 -0.38 0.00 0.41 -0.25 0.00 0.00 175.29 175.21 1yan n GLY 127 N 3.12 0.86 0.06 3.09 0.00 -1.26 -4.92 105.19 106.14 1yan n GLY 127 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1yan n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yan n GLY 129 N 1.43 -0.00 0.31 0.00 0.00 -1.26 -4.82 105.19 100.84 1yan n GLY 129 Ca 0.09 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.67 1yan n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65