#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yap s VAL 2 N 0.00 4.05 0.62 3.15 1.01 -1.26 -1.20 120.40 126.76 1yap s VAL 2 Ca 0.00 -1.32 -0.17 0.00 0.00 0.00 0.00 61.98 60.49 1yap s VAL 2 Cb 0.00 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1yap s VAL 2 CO 0.00 -0.40 1.14 -0.36 0.00 0.00 0.00 175.10 175.49 1yap s PHE 3 N 1.41 2.53 0.40 5.22 0.40 -0.21 -5.00 117.98 122.73 1yap s PHE 3 Ca 0.02 1.55 -0.08 0.00 -0.60 0.00 0.00 56.93 57.82 1yap s PHE 3 Cb -0.22 -3.29 -0.05 0.00 0.51 0.00 0.00 43.02 39.97 1yap s PHE 3 CO 0.02 -1.84 0.73 -1.21 0.70 0.00 0.00 175.22 173.62 1yap s GLU 4 N -3.71 3.68 0.10 0.44 0.41 -1.26 -4.86 118.70 113.50 1yap s GLU 4 Ca 0.71 0.29 -0.34 0.00 -0.41 0.00 0.00 54.97 55.22 1yap s GLU 4 Cb -0.24 -2.44 -0.15 0.00 -1.78 0.00 0.00 34.13 29.52 1yap s GLU 4 CO 0.36 -0.03 1.56 -0.09 -0.49 0.00 0.00 175.26 176.57 1yap h ARG 5 N 1.04 -0.78 -0.10 1.61 2.43 -1.96 -2.00 114.38 114.62 1yap h ARG 5 Ca -0.47 0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 58.68 1yap h ARG 5 Cb 1.19 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 1yap h ARG 5 CO 0.64 -0.52 -0.28 0.00 -1.51 0.00 0.00 179.97 178.29 1yap h GLU 7 N 0.16 0.15 -0.53 0.00 4.81 -1.91 -1.48 114.58 115.77 1yap h GLU 7 Ca 0.02 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1yap h GLU 7 Cb 0.59 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1yap h GLU 7 CO 0.04 0.10 0.26 1.25 -0.73 0.00 0.00 179.01 179.93 1yap h LEU 8 N 0.15 0.70 -0.60 1.64 5.85 -1.06 -1.76 115.31 120.24 1yap h LEU 8 Ca 0.05 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.71 1yap h LEU 8 Cb 0.01 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 1yap h LEU 8 CO -0.03 0.63 0.31 0.00 -0.34 0.00 0.00 178.44 179.00 1yap h ALA 9 N 1.10 0.78 -0.23 1.25 0.00 -0.93 0.48 119.26 121.70 1yap h ALA 9 Ca 0.18 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1yap h ALA 9 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1yap h ALA 9 CO -0.02 -0.04 -0.37 0.00 0.00 0.00 0.00 179.25 178.82 1yap h ARG 10 N 0.57 0.52 -0.24 0.00 3.08 -1.08 -2.16 114.38 115.07 1yap h ARG 10 Ca 0.27 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1yap h ARG 10 Cb 0.19 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1yap h ARG 10 CO -0.19 0.81 -0.00 1.15 -1.07 0.00 0.00 179.97 180.67 1yap h THR 11 N 0.44 1.26 -0.68 2.04 2.02 -0.57 -2.26 112.91 115.15 1yap h THR 11 Ca 0.04 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.29 1yap h THR 11 Cb 0.84 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 1yap h THR 11 CO 0.07 0.28 0.30 -0.07 0.37 0.00 0.00 175.52 176.47 1yap h LEU 12 N 0.19 0.90 -0.25 2.58 3.38 -0.87 -2.00 115.31 119.23 1yap h LEU 12 Ca 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1yap h LEU 12 Cb 0.41 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1yap h LEU 12 CO 0.01 0.78 0.13 0.50 0.09 0.00 0.00 178.44 179.95 1yap h LYS 13 N 0.98 0.35 0.00 1.13 3.64 -1.22 -2.02 116.57 119.42 1yap h LYS 13 Ca 0.23 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1yap h LYS 13 Cb 0.14 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1yap h LYS 13 CO -0.03 0.33 -0.04 0.07 -2.27 0.00 0.00 179.45 177.51 1yap h ARG 14 N 0.28 0.00 -0.10 1.90 0.11 -1.13 -1.18 114.38 114.27 1yap h ARG 14 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1yap h ARG 14 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 1yap h ARG 14 CO -0.01 0.04 0.00 1.28 0.10 0.00 0.00 179.97 181.38 1yap n LEU 15 N -3.16 0.97 -0.71 0.08 4.77 -0.78 -4.92 117.00 113.26 1yap n LEU 15 Ca 0.00 -0.41 -0.05 0.00 -0.03 0.00 0.00 56.01 55.52 1yap n LEU 15 Cb 0.31 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1yap n LEU 15 CO 0.28 0.20 -0.04 0.61 -1.33 0.00 0.00 177.39 177.11 1yap n GLY 16 N 0.98 0.25 0.14 -0.72 0.00 -0.44 -4.97 105.19 100.44 1yap n GLY 16 Ca 0.15 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.65 1yap n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1yap h MET 17 N -0.13 0.00 -6.11 1.61 2.86 -1.55 -3.41 114.93 108.20 1yap h MET 17 Ca -0.12 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 56.97 1yap h MET 17 Cb 1.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 1yap h MET 17 CO 0.14 0.00 1.36 0.34 1.06 0.00 0.00 176.91 179.81 1yap s ASP 18 N -5.51 5.56 0.00 1.22 2.15 -1.26 -1.73 116.67 117.11 1yap s ASP 18 Ca 0.03 1.20 0.00 0.00 0.43 0.00 0.00 52.55 54.21 1yap s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1yap s ASP 18 CO 0.74 -1.99 0.00 0.61 -0.17 0.00 0.00 175.17 174.36 1yap n GLY 19 N 5.58 0.59 3.66 2.66 0.00 0.65 -4.90 105.19 113.44 1yap n GLY 19 Ca 0.25 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1yap n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yap s TYR 20 N -2.00 1.60 -1.44 1.61 5.04 -0.70 -1.61 117.35 119.85 1yap s TYR 20 Ca 0.00 -0.18 -0.09 0.00 -2.44 0.00 0.00 57.07 54.36 1yap s TYR 20 Cb 0.00 -4.11 0.06 0.00 0.35 0.00 0.00 41.96 38.26 1yap s TYR 20 CO 0.00 -4.84 0.69 0.54 -1.34 0.00 0.00 175.55 170.60 1yap n ARG 21 N 7.30 -4.59 -1.00 4.97 5.12 -1.26 -1.37 116.66 125.83 1yap n ARG 21 Ca 0.19 0.64 -0.00 0.00 -1.93 0.00 0.00 57.85 56.74 1yap n ARG 21 Cb 0.42 -5.46 -0.00 0.00 -1.16 0.00 0.00 32.46 26.26 1yap n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yap n GLY 22 N -1.45 0.46 3.54 -0.13 0.00 -0.63 -5.00 105.19 101.97 1yap n GLY 22 Ca -0.02 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1yap n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yap s ILE 23 N -1.91 5.24 0.68 -0.61 1.01 -0.47 -4.91 121.20 120.23 1yap s ILE 23 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.39 1yap s ILE 23 Cb 0.00 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.85 1yap s ILE 23 CO 0.00 0.07 1.13 -0.94 0.00 0.00 0.00 174.94 175.20 1yap s SER 24 N 1.73 4.86 0.25 3.58 1.04 -1.26 -0.25 113.70 123.65 1yap s SER 24 Ca 0.06 2.06 -0.04 0.00 0.48 0.00 0.00 55.95 58.51 1yap s SER 24 Cb -0.17 -2.56 0.38 0.00 0.10 0.00 0.00 66.02 63.77 1yap s SER 24 CO 0.10 -1.80 1.85 0.25 0.98 0.00 0.00 173.24 174.62 1yap h LEU 25 N -0.13 0.86 -2.02 2.42 5.85 -1.91 -1.00 115.31 119.37 1yap h LEU 25 Ca -0.47 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1yap h LEU 25 Cb 1.25 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 1yap h LEU 25 CO 0.53 0.53 -0.05 0.00 -0.34 0.00 0.00 178.44 179.10 1yap h ALA 26 N 1.44 1.75 -0.21 1.25 0.00 -1.92 -0.84 119.26 120.74 1yap h ALA 26 Ca 0.40 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 55.06 1yap h ALA 26 Cb 0.24 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1yap h ALA 26 CO -0.20 0.07 -0.68 -0.91 0.00 0.00 0.00 179.25 177.53 1yap h ASN 27 N 0.00 0.95 -0.18 0.00 2.35 -1.52 -1.13 115.58 116.05 1yap h ASN 27 Ca -0.00 -0.59 -0.08 0.00 -0.55 0.00 0.00 56.30 55.07 1yap h ASN 27 Cb 0.10 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1yap h ASN 27 CO 0.01 1.38 -0.15 -0.50 -1.65 0.00 0.00 177.43 176.51 1yap h TRP 28 N 0.58 0.64 -0.26 1.19 4.06 -1.06 -0.87 115.95 120.23 1yap h TRP 28 Ca -0.03 -0.11 -0.07 0.00 2.06 0.00 0.00 58.89 60.74 1yap h TRP 28 Cb 1.30 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 29.29 1yap h TRP 28 CO 0.08 0.71 -0.12 0.52 -3.56 0.00 0.00 178.44 176.07 1yap h MET 29 N 0.53 0.54 -0.84 0.49 2.86 -1.08 -2.01 114.93 115.42 1yap h MET 29 Ca 0.09 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1yap h MET 29 Cb 0.57 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.17 1yap h MET 29 CO 0.04 0.79 0.55 0.00 1.06 0.00 0.00 176.91 179.35 1yap h LEU 31 N 1.14 -0.10 -1.12 0.00 5.85 -1.05 -2.49 115.31 117.54 1yap h LEU 31 Ca 0.31 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1yap h LEU 31 Cb -0.12 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1yap h LEU 31 CO -0.07 0.03 0.36 0.00 -0.34 0.00 0.00 178.44 178.42 1yap h ALA 32 N 0.68 1.32 0.06 1.25 0.00 -1.14 0.08 119.26 121.52 1yap h ALA 32 Ca -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1yap h ALA 32 Cb 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1yap h ALA 32 CO 0.02 0.54 -0.11 -0.22 0.00 0.00 0.00 179.25 179.48 1yap h LYS 33 N 0.98 -0.21 0.00 0.00 1.63 -1.00 -1.96 116.57 116.01 1yap h LYS 33 Ca 0.25 0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.93 1yap h LYS 33 Cb 0.06 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 1yap h LYS 33 CO -0.04 -0.14 -0.64 -1.49 -3.45 0.00 0.00 179.45 173.70 1yap h TRP 34 N -0.22 0.00 0.01 1.91 4.06 -1.26 -0.54 115.95 119.91 1yap h TRP 34 Ca 0.02 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.91 1yap h TRP 34 Cb 0.24 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.41 1yap h TRP 34 CO -0.15 0.64 -0.25 0.93 -3.56 0.00 0.00 178.44 176.05 1yap h GLU 35 N 0.00 0.16 0.00 0.49 4.39 -0.92 -3.43 114.58 115.27 1yap h GLU 35 Ca -0.01 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1yap h GLU 35 Cb 1.39 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 1yap h GLU 35 CO 0.08 0.94 0.00 -1.13 -1.16 0.00 0.00 179.01 177.74 1yap n SER 36 N -4.50 0.08 -1.56 1.42 3.41 -0.80 -4.87 113.62 106.81 1yap n SER 36 Ca -0.10 -0.36 -0.10 0.00 -0.26 0.00 0.00 58.87 58.04 1yap n SER 36 Cb 0.51 0.29 0.02 0.00 -0.26 0.00 0.00 64.21 64.77 1yap n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yap n GLY 37 N 0.29 0.13 2.34 5.00 0.00 -0.21 -2.96 105.19 109.78 1yap n GLY 37 Ca 0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 1yap n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1yap n TYR 38 N -3.82 -0.70 -3.72 1.61 4.01 -1.17 -4.79 117.16 108.58 1yap n TYR 38 Ca -0.05 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.32 1yap n TYR 38 Cb 0.55 -3.34 -0.12 0.00 -0.31 0.00 0.00 39.34 36.12 1yap n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1yap s ASN 39 N -2.31 5.27 0.52 7.72 2.47 -1.15 -1.04 114.94 126.40 1yap s ASN 39 Ca 0.00 -0.47 0.32 0.00 0.42 0.00 0.00 52.86 53.13 1yap s ASN 39 Cb 0.00 -1.94 1.25 0.00 -1.45 0.00 0.00 41.25 39.12 1yap s ASN 39 CO 0.00 -0.14 1.93 0.71 -3.72 0.00 0.00 177.10 175.88 1yap h THR 40 N 5.68 0.00 -0.69 -5.21 1.35 -1.49 -3.07 112.91 109.49 1yap h THR 40 Ca -0.34 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1yap h THR 40 Cb 1.15 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1yap h THR 40 CO 0.60 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.76 1yap n ARG 41 N -3.01 2.76 -1.88 4.72 -4.01 -1.26 -4.12 116.66 109.87 1yap n ARG 41 Ca 0.01 -2.59 -0.41 0.00 -1.04 0.00 0.00 57.85 53.81 1yap n ARG 41 Cb 0.32 -1.53 -0.02 0.00 -3.04 0.00 0.00 32.46 28.19 1yap n ARG 41 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1yap s ALA 42 N -1.01 3.67 -0.01 2.89 0.00 -1.16 -4.82 121.76 121.32 1yap s ALA 42 Ca 0.46 1.47 -0.03 0.00 0.00 0.00 0.00 51.96 53.86 1yap s ALA 42 Cb 0.24 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1yap s ALA 42 CO 0.31 -0.89 0.07 0.95 0.00 0.00 0.00 175.76 176.20 1yap s THR 43 N -0.20 0.04 -0.14 0.00 -4.23 -1.26 -1.12 115.64 108.73 1yap s THR 43 Ca 0.60 -0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 60.73 1yap s THR 43 Cb -0.45 -0.21 0.07 0.00 1.34 0.00 0.00 72.50 73.24 1yap s THR 43 CO 0.48 -0.19 0.20 0.20 -0.54 0.00 0.00 174.62 174.77 1yap s ASN 44 N -0.57 1.03 0.05 3.99 -0.87 -0.75 -4.97 114.94 112.85 1yap s ASN 44 Ca -0.06 0.10 -0.28 0.00 -1.57 0.00 0.00 52.86 51.04 1yap s ASN 44 Cb -0.04 0.35 -0.05 0.00 -0.02 0.00 0.00 41.25 41.49 1yap s ASN 44 CO 0.00 -0.28 0.91 -0.47 -2.57 0.00 0.00 177.10 174.69 1yap s TYR 45 N 2.32 3.74 -0.72 2.20 5.04 -1.26 -0.85 117.35 127.81 1yap s TYR 45 Ca 0.04 1.66 -0.09 0.00 -2.44 0.00 0.00 57.07 56.25 1yap s TYR 45 Cb -0.14 -3.01 0.19 0.00 0.35 0.00 0.00 41.96 39.35 1yap s TYR 45 CO -0.09 0.15 0.60 -0.80 -1.34 0.00 0.00 175.55 174.07 1yap s ASN 46 N 0.34 6.04 0.51 4.32 0.01 0.27 -4.93 114.94 121.50 1yap s ASN 46 Ca 0.46 -2.70 0.19 0.00 -0.71 0.00 0.00 52.86 50.10 1yap s ASN 46 Cb -0.22 -2.05 1.28 0.00 0.41 0.00 0.00 41.25 40.68 1yap s ASN 46 CO 0.27 -0.50 2.08 0.00 -1.51 0.00 0.00 177.10 177.44 1yap h ALA 47 N 7.52 2.17 0.00 0.60 0.00 -1.95 0.53 119.26 128.13 1yap h ALA 47 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1yap h ALA 47 Cb 1.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1yap h ALA 47 CO 0.75 -0.24 -0.14 0.78 0.00 0.00 0.00 179.25 180.40 1yap h GLY 48 N 0.05 0.00 0.00 0.00 0.00 -1.95 -3.27 103.07 97.90 1yap h GLY 48 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1yap h GLY 48 CO -0.01 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.62 1yap n ASP 49 N -4.21 0.69 -2.06 0.19 5.75 -1.01 -5.03 116.55 110.87 1yap n ASP 49 Ca -0.02 -1.25 -0.17 0.00 -0.01 0.00 0.00 54.79 53.33 1yap n ASP 49 Cb 0.22 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1yap n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1yap n ARG 50 N -0.13 -1.94 -4.22 0.11 1.74 0.15 -4.81 116.66 107.56 1yap n ARG 50 Ca 0.00 0.81 -0.24 0.00 -0.77 0.00 0.00 57.85 57.64 1yap n ARG 50 Cb 0.28 -5.26 -0.08 0.00 -1.02 0.00 0.00 32.46 26.39 1yap n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1yap s SER 51 N -2.35 4.40 0.02 0.55 1.04 -1.16 -4.46 113.70 111.74 1yap s SER 51 Ca 0.05 -0.94 0.03 0.00 0.48 0.00 0.00 55.95 55.57 1yap s SER 51 Cb -0.02 -0.59 -0.01 0.00 0.10 0.00 0.00 66.02 65.50 1yap s SER 51 CO 0.07 -0.33 -0.08 -0.89 0.98 0.00 0.00 173.24 172.99 1yap s THR 52 N -2.51 0.64 -0.13 2.02 2.01 -1.26 -0.57 115.64 115.84 1yap s THR 52 Ca 0.37 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.62 1yap s THR 52 Cb 0.00 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.87 1yap s THR 52 CO 0.21 -0.03 0.24 -1.81 -0.69 0.00 0.00 174.62 172.54 1yap s ASP 53 N -0.74 6.44 -0.02 3.53 1.01 -0.03 -1.39 116.67 125.48 1yap s ASP 53 Ca -0.01 0.52 0.07 0.00 0.71 0.00 0.00 52.55 53.83 1yap s ASP 53 Cb -0.06 -2.15 -0.02 0.00 1.01 0.00 0.00 42.92 41.71 1yap s ASP 53 CO 0.00 0.24 -0.21 -0.31 0.21 0.00 0.00 175.17 175.09 1yap s TYR 54 N -0.22 1.93 0.01 4.23 2.02 -0.36 -1.82 117.35 123.15 1yap s TYR 54 Ca 0.16 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 1yap s TYR 54 Cb -0.13 -1.25 0.00 0.00 -0.40 0.00 0.00 41.96 40.18 1yap s TYR 54 CO 0.04 -0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.39 1yap n GLY 55 N 2.59 -2.01 0.32 0.71 0.00 -0.27 -2.14 105.19 104.38 1yap n GLY 55 Ca -0.15 -1.40 0.09 0.00 0.00 0.00 0.00 46.02 44.56 1yap n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1yap h ILE 56 N -0.03 0.97 -0.14 -0.61 2.10 -1.71 -1.68 117.51 116.42 1yap h ILE 56 Ca 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.82 1yap h ILE 56 Cb 0.03 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 36.36 1yap h ILE 56 CO 0.00 0.06 0.00 0.49 -1.08 0.00 0.00 178.15 177.62 1yap n PHE 57 N -4.48 0.15 -3.71 2.19 3.72 -1.26 -3.94 117.46 110.13 1yap n PHE 57 Ca 0.05 -0.09 -0.30 0.00 -0.05 0.00 0.00 57.45 57.07 1yap n PHE 57 Cb 0.23 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.80 1yap n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1yap n GLN 58 N 1.21 -1.79 -2.92 -1.08 1.13 -0.63 -4.95 117.38 108.35 1yap n GLN 58 Ca 0.14 0.47 -0.38 0.00 -1.94 0.00 0.00 57.00 55.29 1yap n GLN 58 Cb 0.53 -4.29 -0.06 0.00 0.11 0.00 0.00 30.24 26.53 1yap n GLN 58 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1yap s VAL 59 N -3.55 4.33 0.10 5.09 -7.23 -0.91 -4.50 120.40 113.73 1yap s VAL 59 Ca 0.38 1.70 -0.29 0.00 -1.81 0.00 0.00 61.98 61.96 1yap s VAL 59 Cb -0.13 -4.07 -0.06 0.00 0.56 0.00 0.00 36.38 32.68 1yap s VAL 59 CO 0.86 0.35 0.92 0.21 -0.31 0.00 0.00 175.10 177.13 1yap s ASN 60 N -1.39 7.44 0.39 4.85 3.84 -1.26 -1.22 114.94 127.59 1yap s ASN 60 Ca 0.42 1.73 0.28 0.00 0.21 0.00 0.00 52.86 55.49 1yap s ASN 60 Cb -0.21 -2.56 1.29 0.00 -0.55 0.00 0.00 41.25 39.22 1yap s ASN 60 CO 0.25 -0.04 1.84 0.77 -2.79 0.00 0.00 177.10 177.14 1yap h SER 61 N 5.53 0.00 0.62 -4.21 4.64 -1.47 -1.29 113.55 117.38 1yap h SER 61 Ca -0.43 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.80 1yap h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1yap h SER 61 CO 0.71 0.00 -0.42 -0.09 -0.87 0.00 0.00 176.83 176.16 1yap h ARG 62 N 0.00 0.00 0.00 4.77 2.43 -1.83 -3.40 114.38 116.35 1yap h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1yap h ARG 62 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1yap h ARG 62 CO 0.00 0.42 -0.88 0.66 -1.51 0.00 0.00 179.97 178.66 1yap n TYR 63 N -3.76 0.00 -0.03 2.20 4.01 -1.08 -0.03 117.16 118.48 1yap n TYR 63 Ca -0.01 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.56 1yap n TYR 63 Cb 0.49 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.38 1yap n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1yap n TRP 64 N -2.27 0.93 -4.16 -0.72 7.02 -0.51 -0.36 117.44 117.37 1yap n TRP 64 Ca 0.00 0.24 -0.10 0.00 -1.02 0.00 0.00 57.50 56.62 1yap n TRP 64 Cb 0.44 -1.14 -0.10 0.00 -2.42 0.00 0.00 31.31 28.09 1yap n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1yap s ASN 66 N -3.04 5.61 0.00 0.00 2.47 -0.21 -4.58 114.94 115.19 1yap s ASN 66 Ca 0.18 -0.00 0.00 0.00 0.42 0.00 0.00 52.86 53.46 1yap s ASN 66 Cb 0.07 -1.99 0.00 0.00 -1.45 0.00 0.00 41.25 37.88 1yap s ASN 66 CO -0.01 0.08 0.58 -0.90 -3.72 0.00 0.00 177.10 173.12 1yap n ASP 67 N 4.19 1.16 0.00 -4.21 5.68 -1.26 -1.38 116.55 120.73 1yap n ASP 67 Ca -0.16 -1.15 0.00 0.00 -0.50 0.00 0.00 54.79 52.98 1yap n ASP 67 Cb 0.52 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1yap n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yap n GLY 68 N -0.06 1.62 0.81 6.12 0.00 -1.26 -4.73 105.19 107.69 1yap n GLY 68 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1yap n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1yap n LYS 69 N 0.00 2.06 -3.43 1.61 2.85 -1.26 -4.88 118.16 115.11 1yap n LYS 69 Ca 0.00 -1.60 -0.38 0.00 -1.05 0.00 0.00 58.31 55.28 1yap n LYS 69 Cb 0.00 -1.44 -0.09 0.00 -0.65 0.00 0.00 35.03 32.85 1yap n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1yap s THR 70 N -1.68 5.21 0.38 0.58 2.01 -1.26 -4.95 115.64 115.92 1yap s THR 70 Ca 0.34 0.56 -0.27 0.00 0.31 0.00 0.00 61.69 62.64 1yap s THR 70 Cb 0.20 -3.68 -0.09 0.00 0.01 0.00 0.00 72.50 68.93 1yap s THR 70 CO 0.28 0.21 1.29 -2.84 -0.69 0.00 0.00 174.62 172.88 1yap s PRO 71 N 1.69 4.10 -1.47 4.92 0.02 -1.26 -3.64 135.00 139.35 1yap s PRO 71 Ca 0.15 2.15 -0.03 0.00 0.02 0.00 0.00 61.00 63.29 1yap s PRO 71 Cb -0.15 -2.85 0.03 0.00 0.02 0.00 0.00 34.50 31.55 1yap s PRO 71 CO 0.09 -0.38 0.44 0.41 -0.33 0.00 0.00 177.00 177.23 1yap n GLY 72 N 0.70 -0.25 3.79 0.52 0.00 -1.26 -4.96 105.19 103.73 1yap n GLY 72 Ca 0.03 0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1yap n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yap s ALA 73 N -3.88 3.56 0.43 4.61 0.00 -1.24 -4.98 121.76 120.25 1yap s ALA 73 Ca 0.13 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 51.00 1yap s ALA 73 Cb -0.07 -1.37 -0.06 0.00 0.00 0.00 0.00 23.12 21.62 1yap s ALA 73 CO 0.91 0.57 0.10 0.14 0.00 0.00 0.00 175.76 177.47 1yap s VAL 74 N -1.65 2.03 -0.48 0.00 -7.23 0.96 -4.99 120.40 109.03 1yap s VAL 74 Ca 0.30 -1.85 0.06 0.00 -1.81 0.00 0.00 61.98 58.68 1yap s VAL 74 Cb -0.11 -2.88 0.22 0.00 0.56 0.00 0.00 36.38 34.17 1yap s VAL 74 CO 0.23 0.00 0.52 -3.20 -0.31 0.00 0.00 175.10 172.33 1yap n ASN 75 N -1.14 1.06 0.20 4.85 5.15 -1.22 -3.74 115.26 120.42 1yap n ASN 75 Ca -0.05 -2.82 0.05 0.00 -0.60 0.00 0.00 54.58 51.17 1yap n ASN 75 Cb 0.66 -0.64 0.51 0.00 -0.53 0.00 0.00 39.78 39.78 1yap n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1yap h ALA 76 N 4.63 1.75 0.00 5.20 0.00 -0.72 -1.73 119.26 128.38 1yap h ALA 76 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1yap h ALA 76 Cb 0.83 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1yap h ALA 76 CO 0.54 0.19 -0.17 0.00 0.00 0.00 0.00 179.25 179.82 1yap n HIS 78 N -1.51 -2.01 -4.07 0.00 -0.00 -0.65 -4.98 115.22 102.00 1yap n HIS 78 Ca 0.06 0.85 -0.10 0.00 -0.00 0.00 0.00 57.72 58.53 1yap n HIS 78 Cb 0.34 -4.51 -0.11 0.00 -0.00 0.00 0.00 29.99 25.71 1yap n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yap s LEU 79 N -6.51 2.35 0.37 2.41 1.43 -1.26 -5.07 118.68 112.40 1yap s LEU 79 Ca 0.05 -0.72 -0.24 0.00 -1.03 0.00 0.00 54.13 52.18 1yap s LEU 79 Cb -0.01 -0.02 -0.10 0.00 0.03 0.00 0.00 46.19 46.09 1yap s LEU 79 CO 0.79 -0.35 0.99 -0.55 0.23 0.00 0.00 176.35 177.45 1yap s SER 80 N -2.11 7.05 0.60 2.29 0.15 -1.26 -1.04 113.70 119.38 1yap s SER 80 Ca -0.04 1.90 0.38 0.00 0.70 0.00 0.00 55.95 58.89 1yap s SER 80 Cb -0.03 -2.58 1.89 0.00 -1.71 0.00 0.00 66.02 63.59 1yap s SER 80 CO -0.03 -0.28 2.19 0.00 1.20 0.00 0.00 173.24 176.32 1yap h SER 82 N 0.00 0.53 -0.03 0.00 0.87 -1.91 -1.69 113.55 111.31 1yap h SER 82 Ca -0.00 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 1yap h SER 82 Cb 0.24 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1yap h SER 82 CO 0.00 0.38 0.03 0.00 -0.53 0.00 0.00 176.83 176.72 1yap h ALA 83 N 1.71 1.66 -0.12 6.23 0.00 -1.76 -0.51 119.26 126.47 1yap h ALA 83 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1yap h ALA 83 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1yap h ALA 83 CO -0.04 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.44 1yap n LEU 84 N -3.97 1.14 -0.58 0.00 4.77 -0.64 -3.55 117.00 114.18 1yap n LEU 84 Ca -0.02 -0.48 0.05 0.00 -0.03 0.00 0.00 56.01 55.52 1yap n LEU 84 Cb 0.12 -0.08 0.14 0.00 -2.33 0.00 0.00 43.42 41.28 1yap n LEU 84 CO 0.29 0.24 0.62 0.18 -1.33 0.00 0.00 177.39 177.39 1yap n LEU 85 N -0.02 2.85 -4.84 2.23 4.77 -0.20 -3.52 117.00 118.28 1yap n LEU 85 Ca 0.15 -2.03 -0.31 0.00 -0.03 0.00 0.00 56.01 53.79 1yap n LEU 85 Cb 0.24 -0.22 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1yap n LEU 85 CO 0.11 0.71 0.72 -1.10 -1.33 0.00 0.00 177.39 176.50 1yap s GLN 86 N -1.05 2.89 0.25 3.23 -0.21 -1.23 -4.55 119.66 118.99 1yap s GLN 86 Ca 0.21 0.73 0.10 0.00 0.02 0.00 0.00 55.36 56.43 1yap s GLN 86 Cb 0.11 -2.00 0.26 0.00 1.00 0.00 0.00 33.01 32.38 1yap s GLN 86 CO 0.14 -1.07 1.55 -0.44 -2.12 0.00 0.00 175.29 173.34 1yap h ASP 87 N -0.69 0.00 -3.28 5.90 5.19 -1.93 -3.41 116.42 118.19 1yap h ASP 87 Ca -0.45 0.00 -0.58 0.00 -0.62 0.00 0.00 57.03 55.38 1yap h ASP 87 Cb 1.23 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.66 1yap h ASP 87 CO 0.60 0.68 0.44 0.21 -3.12 0.00 0.00 179.24 178.05 1yap s ASN 88 N -6.78 6.92 -0.04 6.45 3.84 -1.26 -4.91 114.94 119.15 1yap s ASN 88 Ca -0.01 1.13 0.12 0.00 0.21 0.00 0.00 52.86 54.31 1yap s ASN 88 Cb 0.12 -2.45 0.42 0.00 -0.55 0.00 0.00 41.25 38.78 1yap s ASN 88 CO 0.77 -0.46 1.29 2.30 -2.79 0.00 0.00 177.10 178.22 1yap n ILE 89 N 4.96 0.91 -0.12 -5.21 -5.35 -1.26 -4.52 119.36 108.77 1yap n ILE 89 Ca 0.05 -0.66 -0.05 0.00 -0.27 0.00 0.00 62.75 61.83 1yap n ILE 89 Cb 0.48 0.09 0.02 0.00 -1.74 0.00 0.00 39.64 38.48 1yap n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1yap h ALA 90 N 3.61 0.27 -0.49 -1.28 0.00 -1.95 -0.25 119.26 119.17 1yap h ALA 90 Ca 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1yap h ALA 90 Cb 0.83 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1yap h ALA 90 CO 0.09 -0.45 -0.22 -0.44 0.00 0.00 0.00 179.25 178.23 1yap h ASP 91 N -0.00 1.03 -0.80 0.00 3.32 -1.87 -1.65 116.42 116.45 1yap h ASP 91 Ca 0.20 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1yap h ASP 91 Cb 0.30 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 1yap h ASP 91 CO -0.42 1.20 0.48 0.00 -1.72 0.00 0.00 179.24 178.78 1yap h ALA 92 N 0.87 1.33 -0.18 3.45 0.00 -1.65 -0.65 119.26 122.44 1yap h ALA 92 Ca 0.11 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1yap h ALA 92 Cb 0.80 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1yap h ALA 92 CO 0.07 0.58 -0.26 0.28 0.00 0.00 0.00 179.25 179.92 1yap h VAL 93 N 1.11 1.34 -0.43 0.00 2.07 -0.96 -0.53 116.25 118.86 1yap h VAL 93 Ca 0.29 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 1yap h VAL 93 Cb -0.04 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1yap h VAL 93 CO -0.05 0.44 0.25 0.00 0.02 0.00 0.00 177.57 178.23 1yap h ALA 94 N 0.60 1.63 0.03 1.67 0.00 -0.94 -0.90 119.26 121.36 1yap h ALA 94 Ca 0.02 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 1yap h ALA 94 Cb 0.83 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1yap h ALA 94 CO 0.06 0.32 -1.03 0.00 0.00 0.00 0.00 179.25 178.59 1yap h ALA 96 N 0.62 1.31 -0.70 0.00 0.00 -0.53 -1.41 119.26 118.56 1yap h ALA 96 Ca -0.11 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1yap h ALA 96 Cb 1.69 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 1yap h ALA 96 CO 0.18 0.49 0.17 0.87 0.00 0.00 0.00 179.25 180.96 1yap h LYS 97 N 0.70 1.13 -0.53 0.00 1.57 -1.14 -2.73 116.57 115.56 1yap h LYS 97 Ca 0.16 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1yap h LYS 97 Cb 0.26 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1yap h LYS 97 CO -0.00 1.00 0.21 -0.09 -0.57 0.00 0.00 179.45 179.99 1yap h ARG 98 N 1.06 0.80 -0.40 3.15 9.65 -1.13 -2.88 114.38 124.63 1yap h ARG 98 Ca 0.22 -0.15 0.06 0.00 -1.10 0.00 0.00 59.98 59.01 1yap h ARG 98 Cb 0.38 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.78 1yap h ARG 98 CO 0.00 0.70 0.09 0.28 2.80 0.00 0.00 179.97 183.85 1yap h VAL 99 N 0.72 0.81 0.00 0.20 2.07 -1.05 -1.91 116.25 117.09 1yap h VAL 99 Ca 0.18 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1yap h VAL 99 Cb 0.21 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1yap h VAL 99 CO -0.01 0.04 0.00 1.33 0.02 0.00 0.00 177.57 178.95 1yap n VAL 100 N -5.08 0.20 1.06 2.57 0.24 -1.05 -2.48 118.33 113.79 1yap n VAL 100 Ca 0.03 0.05 0.13 0.00 -2.04 0.00 0.00 64.34 62.51 1yap n VAL 100 Cb 0.17 -0.65 0.62 0.00 -1.47 0.00 0.00 33.84 32.51 1yap n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1yap n ARG 101 N -1.24 0.13 -2.42 7.34 1.74 -0.72 -4.27 116.66 117.22 1yap n ARG 101 Ca 0.13 0.03 -0.31 0.00 -0.77 0.00 0.00 57.85 56.92 1yap n ARG 101 Cb 0.17 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 1yap n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1yap s ASP 102 N -2.86 6.50 0.31 0.55 1.11 -1.04 -4.98 116.67 116.25 1yap s ASP 102 Ca 0.17 1.39 0.07 0.00 0.18 0.00 0.00 52.55 54.36 1yap s ASP 102 Cb 0.18 -2.44 0.82 0.00 1.07 0.00 0.00 42.92 42.55 1yap s ASP 102 CO 0.48 -0.60 1.70 1.55 1.18 0.00 0.00 175.17 179.48 1yap h PRO 103 N 0.72 0.42 -0.01 8.23 0.13 -1.89 -1.00 132.00 138.59 1yap h PRO 103 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1yap h PRO 103 Cb 1.19 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1yap h PRO 103 CO 0.62 0.28 0.01 1.96 -0.23 0.00 0.00 178.00 180.64 1yap h GLN 104 N 0.43 0.00 0.00 0.86 4.20 -1.91 -3.48 115.11 115.21 1yap h GLN 104 Ca 0.61 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.32 1yap h GLN 104 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1yap h GLN 104 CO -0.53 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.04 1yap n GLY 105 N -1.48 2.22 0.31 3.46 0.00 -0.38 -2.15 105.19 107.16 1yap n GLY 105 Ca -0.03 -0.53 0.20 0.00 0.00 0.00 0.00 46.02 45.66 1yap n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1yap h ILE 106 N 0.00 0.10 0.00 -0.61 6.09 -1.90 -2.40 117.51 118.79 1yap h ILE 106 Ca 0.00 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 63.26 1yap h ILE 106 Cb 0.00 1.20 0.00 0.00 0.47 0.00 0.00 36.82 38.49 1yap h ILE 106 CO 0.00 0.02 0.00 0.54 -3.07 0.00 0.00 178.15 175.64 1yap n ARG 107 N -3.19 0.13 0.15 2.19 1.74 -0.92 -2.82 116.66 113.94 1yap n ARG 107 Ca -0.02 0.51 0.16 0.00 -0.77 0.00 0.00 57.85 57.73 1yap n ARG 107 Cb 0.16 -1.84 0.73 0.00 -1.02 0.00 0.00 32.46 30.49 1yap n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yap h ALA 108 N 2.14 2.11 -2.58 7.54 0.00 -1.57 -3.37 119.26 123.51 1yap h ALA 108 Ca 0.00 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.24 1yap h ALA 108 Cb 0.16 0.02 -0.17 0.00 0.00 0.00 0.00 17.79 17.80 1yap h ALA 108 CO 0.00 -0.34 -0.25 -1.58 0.00 0.00 0.00 179.25 177.07 1yap s TRP 109 N -4.89 3.21 0.36 0.00 0.51 -1.13 -4.96 118.94 112.04 1yap s TRP 109 Ca -0.05 0.03 0.03 0.00 -2.12 0.00 0.00 56.10 53.99 1yap s TRP 109 Cb 0.17 -2.70 0.66 0.00 -0.81 0.00 0.00 33.47 30.79 1yap s TRP 109 CO 0.65 -0.44 2.02 0.28 -0.51 0.00 0.00 176.95 178.95 1yap h VAL 110 N 5.54 1.16 -0.56 4.03 2.07 -1.89 -1.83 116.25 124.77 1yap h VAL 110 Ca -0.30 -0.29 0.07 0.00 0.82 0.00 0.00 66.70 67.01 1yap h VAL 110 Cb 1.14 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1yap h VAL 110 CO 0.70 0.15 0.37 0.00 0.02 0.00 0.00 177.57 178.82 1yap h ALA 111 N 1.62 1.91 -0.50 1.67 0.00 -1.93 -1.72 119.26 120.31 1yap h ALA 111 Ca 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1yap h ALA 111 Cb -0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1yap h ALA 111 CO -0.05 -0.02 0.19 2.35 0.00 0.00 0.00 179.25 181.72 1yap h TRP 112 N 0.47 0.78 -0.79 0.00 7.01 -1.65 -0.64 115.95 121.12 1yap h TRP 112 Ca 0.25 -0.06 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 1yap h TRP 112 Cb 0.36 -0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 27.16 1yap h TRP 112 CO -0.00 0.66 0.42 0.00 -2.79 0.00 0.00 178.44 176.73 1yap h ARG 113 N 0.67 1.10 -0.12 2.65 3.08 -1.37 0.15 114.38 120.54 1yap h ARG 113 Ca 0.16 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1yap h ARG 113 Cb 0.22 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1yap h ARG 113 CO -0.01 0.82 -0.14 -0.91 -1.07 0.00 0.00 179.97 178.66 1yap h ASN 114 N 1.10 0.33 -0.01 7.04 2.35 -1.10 -3.36 115.58 121.93 1yap h ASN 114 Ca 0.28 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1yap h ASN 114 Cb 0.05 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1yap h ASN 114 CO -0.04 0.76 -0.06 -2.11 -1.65 0.00 0.00 177.43 174.33 1yap n ARG 115 N -4.58 1.20 0.00 0.81 0.00 -0.27 -4.85 116.66 108.96 1yap n ARG 115 Ca -0.07 -0.64 0.00 0.00 -0.00 0.00 0.00 57.85 57.14 1yap n ARG 115 Cb 0.36 -1.02 0.00 0.00 -0.00 0.00 0.00 32.46 31.80 1yap n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1yap n GLN 117 N -2.54 2.28 -2.12 0.00 7.27 0.02 -2.36 117.38 119.94 1yap n GLN 117 Ca 0.00 0.82 -0.21 0.00 0.07 0.00 0.00 57.00 57.68 1yap n GLN 117 Cb 0.48 -2.57 -0.04 0.00 2.41 0.00 0.00 30.24 30.52 1yap n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1yap n ASN 118 N 3.02 -5.74 -4.63 1.69 5.03 -1.26 -4.97 115.26 108.40 1yap n ASN 118 Ca 0.14 0.17 -0.26 0.00 0.87 0.00 0.00 54.58 55.50 1yap n ASN 118 Cb 0.31 -4.88 -0.10 0.00 -1.02 0.00 0.00 39.78 34.09 1yap n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1yap s ARG 119 N -4.59 1.99 -0.71 3.52 0.52 -0.99 -5.07 118.95 113.62 1yap s ARG 119 Ca 0.00 -1.98 -0.25 0.00 -0.52 0.00 0.00 55.73 52.99 1yap s ARG 119 Cb 0.00 -1.76 0.05 0.00 0.52 0.00 0.00 34.95 33.77 1yap s ARG 119 CO 0.00 0.01 1.13 0.34 0.02 0.00 0.00 175.30 176.80 1yap s ASP 120 N -3.72 6.18 0.00 0.23 -1.08 -1.26 -4.84 116.67 112.18 1yap s ASP 120 Ca 0.35 -0.77 0.22 0.00 -0.52 0.00 0.00 52.55 51.84 1yap s ASP 120 Cb 0.06 -2.49 0.56 0.00 -1.46 0.00 0.00 42.92 39.59 1yap s ASP 120 CO 0.19 -1.63 1.46 1.33 0.52 0.00 0.00 175.17 177.04 1yap n VAL 121 N 6.16 0.31 -0.33 1.11 0.24 -1.26 -4.45 118.33 120.11 1yap n VAL 121 Ca 0.01 -0.53 0.13 0.00 -2.04 0.00 0.00 64.34 61.91 1yap n VAL 121 Cb 0.47 0.75 0.34 0.00 -1.47 0.00 0.00 33.84 33.94 1yap n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1yap h ARG 122 N 3.45 0.72 -0.65 7.34 3.08 -1.92 -1.90 114.38 124.51 1yap h ARG 122 Ca 0.00 -0.04 0.19 0.00 0.07 0.00 0.00 59.98 60.20 1yap h ARG 122 Cb 0.76 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 1yap h ARG 122 CO 0.00 0.48 0.54 -0.56 -1.07 0.00 0.00 179.97 179.35 1yap h GLN 123 N 0.74 0.00 0.00 0.04 3.07 -1.97 -1.76 115.11 115.24 1yap h GLN 123 Ca 0.54 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 59.23 1yap h GLN 123 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.43 1yap h GLN 123 CO -0.32 0.00 -0.25 1.88 0.09 0.00 0.00 178.83 180.23 1yap h TYR 124 N 0.00 0.00 -0.00 0.06 0.05 -1.68 -3.26 116.97 112.13 1yap h TYR 124 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.09 1yap h TYR 124 Cb 1.38 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.12 1yap h TYR 124 CO 0.00 0.25 -0.07 1.33 -1.05 0.00 0.00 178.16 178.63 1yap n VAL 125 N -3.54 0.00 -1.83 -2.88 0.24 -0.71 -4.84 118.33 104.78 1yap n VAL 125 Ca -0.01 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.34 61.41 1yap n VAL 125 Cb 0.41 1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 33.81 1yap n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1yap s GLN 126 N -0.73 4.17 0.00 7.34 -1.52 -0.90 -2.13 119.66 125.89 1yap s GLN 126 Ca 0.04 2.48 0.00 0.00 -1.95 0.00 0.00 55.36 55.94 1yap s GLN 126 Cb 0.04 -3.19 0.00 0.00 -0.22 0.00 0.00 33.01 29.64 1yap s GLN 126 CO 0.10 -0.70 0.00 0.41 -0.25 0.00 0.00 175.29 174.85 1yap n GLY 127 N 3.91 0.90 0.03 3.09 0.00 -1.26 -4.92 105.19 106.94 1yap n GLY 127 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1yap n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yap n GLY 129 N 1.44 0.16 0.05 0.00 0.00 -1.26 -4.83 105.19 100.76 1yap n GLY 129 Ca 0.08 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 45.55 1yap n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65