#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yil s VAL 2 N 0.00 4.76 0.47 3.15 1.01 -1.26 -0.29 120.40 128.24 1yil s VAL 2 Ca 0.00 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.17 1yil s VAL 2 Cb 0.00 -3.56 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 1yil s VAL 2 CO 0.00 -0.12 1.00 -0.36 0.00 0.00 0.00 175.10 175.62 1yil s PHE 3 N 1.61 3.17 0.70 5.22 0.40 -0.15 -5.00 117.98 123.92 1yil s PHE 3 Ca 0.04 1.58 -0.11 0.00 -0.60 0.00 0.00 56.93 57.84 1yil s PHE 3 Cb -0.18 -2.95 0.01 0.00 0.51 0.00 0.00 43.02 40.41 1yil s PHE 3 CO 0.07 -0.49 1.06 0.20 0.70 0.00 0.00 175.22 176.76 1yil s GLY 4 N -2.19 1.66 0.11 4.36 0.00 -1.26 -4.84 107.32 105.16 1yil s GLY 4 Ca 0.64 0.05 -0.28 0.00 0.00 0.00 0.00 44.72 45.13 1yil s GLY 4 CO 0.18 0.37 1.63 -0.09 0.00 0.00 0.00 173.10 175.19 1yil h ARG 5 N -0.71 -0.52 -0.08 2.90 2.43 -1.97 0.54 114.38 116.97 1yil h ARG 5 Ca -0.44 0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 58.62 1yil h ARG 5 Cb 1.21 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 1yil h ARG 5 CO 0.57 -0.35 -0.59 0.00 -1.51 0.00 0.00 179.97 178.10 1yil h GLU 7 N 0.21 0.91 -0.38 0.00 4.81 -1.90 -0.29 114.58 117.94 1yil h GLU 7 Ca -0.00 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.03 1yil h GLU 7 Cb 1.09 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1yil h GLU 7 CO 0.09 0.62 -0.28 1.25 -0.73 0.00 0.00 179.01 179.96 1yil h LEU 8 N 0.93 0.91 -0.48 1.64 5.85 -0.56 -1.47 115.31 122.12 1yil h LEU 8 Ca 0.25 -0.44 0.08 0.00 0.84 0.00 0.00 57.88 58.61 1yil h LEU 8 Cb -0.08 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.63 1yil h LEU 8 CO -0.05 1.15 0.07 0.00 -0.34 0.00 0.00 178.44 179.28 1yil h ALA 9 N 0.78 0.52 -0.52 1.25 0.00 -0.89 0.19 119.26 120.59 1yil h ALA 9 Ca 0.07 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1yil h ALA 9 Cb 0.86 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1yil h ALA 9 CO 0.07 -0.33 0.22 0.00 0.00 0.00 0.00 179.25 179.21 1yil h ALA 10 N 1.39 0.67 -0.49 0.00 0.00 -0.86 0.59 119.26 120.56 1yil h ALA 10 Ca 0.24 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1yil h ALA 10 Cb 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1yil h ALA 10 CO -0.33 0.27 0.06 0.00 0.00 0.00 0.00 179.25 179.25 1yil h ALA 11 N 1.06 0.65 -0.71 0.00 0.00 -0.73 -1.51 119.26 118.04 1yil h ALA 11 Ca 0.17 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1yil h ALA 11 Cb 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1yil h ALA 11 CO -0.02 0.41 0.44 0.52 0.00 0.00 0.00 179.25 180.60 1yil h MET 12 N 0.69 0.95 -0.63 0.00 2.86 -0.39 -1.90 114.93 116.52 1yil h MET 12 Ca 0.15 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1yil h MET 12 Cb 0.43 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 1yil h MET 12 CO 0.01 0.66 0.33 -0.22 1.06 0.00 0.00 176.91 178.76 1yil h LYS 13 N 0.96 0.89 -0.17 1.72 3.64 -0.71 -1.64 116.57 121.27 1yil h LYS 13 Ca 0.26 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1yil h LYS 13 Cb -0.05 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 1yil h LYS 13 CO -0.05 0.69 -0.14 -0.09 -2.27 0.00 0.00 179.45 177.59 1yil h ARG 14 N 0.86 0.27 -0.26 1.90 2.43 -0.90 -1.90 114.38 116.79 1yil h ARG 14 Ca 0.22 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1yil h ARG 14 Cb 0.07 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1yil h ARG 14 CO -0.03 0.42 0.00 0.72 -1.51 0.00 0.00 179.97 179.57 1yil n HIS 15 N -4.25 0.35 -1.28 2.20 8.25 -0.75 -4.93 115.22 114.81 1yil n HIS 15 Ca -0.01 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1yil n HIS 15 Cb 0.29 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1yil n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yil n GLY 16 N 1.04 0.53 0.21 -1.41 0.00 -0.71 -4.95 105.19 99.89 1yil n GLY 16 Ca 0.13 -0.86 0.11 0.00 0.00 0.00 0.00 46.02 45.39 1yil n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1yil h LEU 17 N 0.00 0.00 -9.19 0.99 3.38 -1.51 -3.40 115.31 105.59 1yil h LEU 17 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1yil h LEU 17 Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1yil h LEU 17 CO 0.00 0.05 1.05 -0.62 0.09 0.00 0.00 178.44 179.01 1yil s ASP 18 N -6.19 6.69 -0.44 -0.43 2.15 -1.26 -1.44 116.67 115.74 1yil s ASP 18 Ca 0.06 1.97 0.00 0.00 0.43 0.00 0.00 52.55 55.01 1yil s ASP 18 Cb 0.05 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1yil s ASP 18 CO 0.68 -0.95 0.00 0.59 -0.17 0.00 0.00 175.17 175.33 1yil n ASN 19 N 7.24 -4.16 -4.69 -0.34 5.03 0.11 -4.84 115.26 113.61 1yil n ASN 19 Ca 0.17 0.10 -0.42 0.00 0.87 0.00 0.00 54.58 55.30 1yil n ASN 19 Cb 0.44 -2.02 -0.03 0.00 -1.02 0.00 0.00 39.78 37.15 1yil n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1yil s TYR 20 N -1.93 2.64 -1.05 3.10 5.04 -0.52 -1.22 117.35 123.41 1yil s TYR 20 Ca 0.00 0.56 -0.02 0.00 -2.44 0.00 0.00 57.07 55.17 1yil s TYR 20 Cb 0.00 -3.82 0.02 0.00 0.35 0.00 0.00 41.96 38.50 1yil s TYR 20 CO 0.00 -3.20 0.14 0.54 -1.34 0.00 0.00 175.55 171.69 1yil n ARG 21 N 5.44 -2.64 -0.72 4.97 5.12 -1.26 -1.40 116.66 126.17 1yil n ARG 21 Ca 0.15 0.53 0.00 0.00 -1.93 0.00 0.00 57.85 56.60 1yil n ARG 21 Cb 0.42 -5.16 0.00 0.00 -1.16 0.00 0.00 32.46 26.56 1yil n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yil n GLY 22 N -0.89 0.79 3.53 -0.13 0.00 -0.36 -5.02 105.19 103.12 1yil n GLY 22 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1yil n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yil s TYR 23 N -3.01 3.12 0.62 1.61 2.02 -0.49 -4.86 117.35 116.35 1yil s TYR 23 Ca 0.00 0.04 -0.19 0.00 -0.37 0.00 0.00 57.07 56.55 1yil s TYR 23 Cb 0.00 -3.16 -0.02 0.00 -0.40 0.00 0.00 41.96 38.38 1yil s TYR 23 CO 0.00 -0.73 1.30 -1.13 -1.57 0.00 0.00 175.55 173.42 1yil n SER 24 N 6.02 2.19 -0.32 2.29 3.41 -1.26 -0.72 113.62 125.23 1yil n SER 24 Ca -0.03 0.87 0.21 0.00 -0.26 0.00 0.00 58.87 59.66 1yil n SER 24 Cb 0.48 -1.55 0.41 0.00 -0.26 0.00 0.00 64.21 63.29 1yil n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1yil h LEU 25 N 0.80 0.04 -1.78 1.04 5.85 -1.89 -0.73 115.31 118.65 1yil h LEU 25 Ca -0.51 0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.55 1yil h LEU 25 Cb 1.33 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 42.64 1yil h LEU 25 CO 0.54 -0.29 0.34 1.23 -0.34 0.00 0.00 178.44 179.92 1yil h GLY 26 N 0.11 0.35 0.71 3.75 0.00 -1.91 -1.27 103.07 104.81 1yil h GLY 26 Ca 0.68 -0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.96 1yil h GLY 26 CO -0.76 0.06 0.28 3.43 0.00 0.00 0.00 176.54 179.55 1yil h ASN 27 N 0.25 0.40 -0.16 0.19 2.35 -1.33 -0.14 115.58 117.15 1yil h ASN 27 Ca 0.23 0.03 -0.19 0.00 -0.55 0.00 0.00 56.30 55.83 1yil h ASN 27 Cb 0.59 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1yil h ASN 27 CO -0.05 0.27 -0.59 -0.50 -1.65 0.00 0.00 177.43 174.91 1yil h TRP 28 N 0.54 0.97 -0.38 1.19 4.06 -1.36 -0.96 115.95 120.01 1yil h TRP 28 Ca 0.24 -0.36 -0.07 0.00 2.06 0.00 0.00 58.89 60.75 1yil h TRP 28 Cb 0.15 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 1yil h TRP 28 CO -0.10 1.17 -0.05 0.28 -3.56 0.00 0.00 178.44 176.17 1yil h VAL 29 N 0.57 1.27 -0.59 1.49 2.07 -1.21 -0.79 116.25 119.06 1yil h VAL 29 Ca 0.00 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.43 1yil h VAL 29 Cb 1.19 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1yil h VAL 29 CO 0.12 0.37 0.39 0.00 0.02 0.00 0.00 177.57 178.47 1yil h ALA 31 N 1.22 0.57 -0.78 0.00 0.00 -0.96 -2.28 119.26 117.03 1yil h ALA 31 Ca 0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1yil h ALA 31 Cb -0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1yil h ALA 31 CO -0.05 0.28 0.35 0.00 0.00 0.00 0.00 179.25 179.83 1yil h ALA 32 N 0.95 1.01 -0.39 0.00 0.00 -0.71 0.10 119.26 120.23 1yil h ALA 32 Ca 0.13 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1yil h ALA 32 Cb 0.35 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1yil h ALA 32 CO 0.01 0.60 0.21 -0.22 0.00 0.00 0.00 179.25 179.85 1yil h LYS 33 N 1.12 0.42 0.00 0.00 1.63 -0.53 -1.15 116.57 118.05 1yil h LYS 33 Ca 0.27 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.94 1yil h LYS 33 Cb 0.15 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 1yil h LYS 33 CO -0.03 0.28 -0.92 0.74 -3.45 0.00 0.00 179.45 176.07 1yil h PHE 34 N 0.43 0.00 0.02 1.91 0.04 -1.19 0.14 116.94 118.30 1yil h PHE 34 Ca 0.16 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.77 1yil h PHE 34 Cb 0.04 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.20 1yil h PHE 34 CO -0.09 0.37 -0.66 0.93 -0.60 0.00 0.00 178.31 178.27 1yil h GLU 35 N 0.00 0.41 0.00 1.51 4.39 -0.75 -3.43 114.58 116.71 1yil h GLU 35 Ca -0.07 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1yil h GLU 35 Cb 1.34 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 1yil h GLU 35 CO 0.04 1.14 0.00 -1.13 -1.16 0.00 0.00 179.01 177.89 1yil n SER 36 N -4.19 0.43 -2.74 1.42 3.41 -0.45 -4.87 113.62 106.63 1yil n SER 36 Ca -0.11 -0.96 -0.20 0.00 -0.26 0.00 0.00 58.87 57.34 1yil n SER 36 Cb 0.71 0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.69 1yil n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1yil n ASN 37 N -0.02 -5.41 -1.30 4.04 5.15 0.48 -1.61 115.26 116.58 1yil n ASN 37 Ca 0.00 -0.12 -0.15 0.00 -0.60 0.00 0.00 54.58 53.71 1yil n ASN 37 Cb 0.13 -4.46 -0.05 0.00 -0.53 0.00 0.00 39.78 34.87 1yil n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1yil n PHE 38 N -4.08 -0.20 -3.56 1.20 3.72 -1.19 -4.84 117.46 108.51 1yil n PHE 38 Ca -0.16 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.84 1yil n PHE 38 Cb 0.63 -2.78 -0.11 0.00 -0.94 0.00 0.00 39.48 36.29 1yil n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1yil s ASN 39 N -2.70 5.91 0.60 4.37 3.84 -0.63 -0.98 114.94 125.35 1yil s ASN 39 Ca 0.00 -0.53 0.39 0.00 0.21 0.00 0.00 52.86 52.93 1yil s ASN 39 Cb 0.00 -2.10 1.88 0.00 -0.55 0.00 0.00 41.25 40.48 1yil s ASN 39 CO 0.00 -0.25 2.16 0.71 -2.79 0.00 0.00 177.10 176.93 1yil h THR 40 N 5.57 0.00 -0.30 -5.21 1.35 -0.96 -2.70 112.91 110.67 1yil h THR 40 Ca -0.31 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1yil h THR 40 Cb 1.15 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1yil h THR 40 CO 0.64 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.91 1yil n GLN 41 N -3.06 1.94 -1.97 4.72 6.02 -1.26 -4.02 117.38 119.74 1yil n GLN 41 Ca -0.01 -1.43 -0.42 0.00 -0.01 0.00 0.00 57.00 55.13 1yil n GLN 41 Cb 0.19 -1.39 -0.02 0.00 1.02 0.00 0.00 30.24 30.04 1yil n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yil s ALA 42 N -1.61 3.68 0.05 -1.58 0.00 -1.02 -4.80 121.76 116.48 1yil s ALA 42 Ca 0.32 1.35 0.03 0.00 0.00 0.00 0.00 51.96 53.67 1yil s ALA 42 Cb 0.17 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1yil s ALA 42 CO 0.24 -0.77 -0.11 0.95 0.00 0.00 0.00 175.76 176.08 1yil s THR 43 N 0.39 0.80 -0.13 0.00 -4.23 -1.26 -0.38 115.64 110.83 1yil s THR 43 Ca 0.63 -1.04 -0.06 0.00 -1.18 0.00 0.00 61.69 60.04 1yil s THR 43 Cb -0.43 -0.79 0.06 0.00 1.34 0.00 0.00 72.50 72.68 1yil s THR 43 CO 0.39 -0.21 0.29 0.21 -0.54 0.00 0.00 174.62 174.76 1yil s ASN 44 N -1.39 -0.14 0.18 3.99 3.84 -0.73 -4.97 114.94 115.72 1yil s ASN 44 Ca -0.04 0.63 -0.29 0.00 0.21 0.00 0.00 52.86 53.37 1yil s ASN 44 Cb -0.09 0.60 -0.08 0.00 -0.55 0.00 0.00 41.25 41.14 1yil s ASN 44 CO 0.01 -0.19 0.90 -0.60 -2.79 0.00 0.00 177.10 174.43 1yil s ARG 45 N 1.68 4.74 0.20 0.43 6.06 -1.26 -0.26 118.95 130.54 1yil s ARG 45 Ca -0.06 1.38 0.05 0.00 -2.50 0.00 0.00 55.73 54.60 1yil s ARG 45 Cb -0.11 -3.30 -0.03 0.00 0.06 0.00 0.00 34.95 31.57 1yil s ARG 45 CO -0.09 0.45 0.23 -0.80 -2.50 0.00 0.00 175.30 172.58 1yil s ASN 46 N -0.83 5.86 0.37 -2.12 0.02 0.16 -4.96 114.94 113.45 1yil s ASN 46 Ca 0.41 -0.06 0.14 0.00 -1.02 0.00 0.00 52.86 52.33 1yil s ASN 46 Cb -0.24 -1.62 0.99 0.00 0.02 0.00 0.00 41.25 40.39 1yil s ASN 46 CO 0.30 0.00 1.80 0.71 0.02 0.00 0.00 177.10 179.93 1yil h THR 47 N 1.61 0.62 0.00 1.60 1.35 -1.98 -1.30 112.91 114.81 1yil h THR 47 Ca -0.49 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1yil h THR 47 Cb 1.22 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1yil h THR 47 CO 0.63 0.09 0.00 -0.90 -0.25 0.00 0.00 175.52 175.09 1yil n ASP 48 N -4.64 0.00 0.00 5.36 5.75 -1.26 -4.86 116.55 116.91 1yil n ASP 48 Ca 0.23 -0.53 0.00 0.00 -0.01 0.00 0.00 54.79 54.48 1yil n ASP 48 Cb 0.73 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 1yil n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yil n GLY 49 N 0.47 1.14 3.76 6.12 0.00 -0.49 -5.02 105.19 111.19 1yil n GLY 49 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1yil n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yil s SER 50 N -2.49 3.49 0.02 1.61 1.04 -1.26 -4.73 113.70 111.38 1yil s SER 50 Ca 0.00 1.09 0.03 0.00 0.48 0.00 0.00 55.95 57.55 1yil s SER 50 Cb 0.00 -1.71 -0.02 0.00 0.10 0.00 0.00 66.02 64.39 1yil s SER 50 CO 0.00 -2.58 -0.09 -0.89 0.98 0.00 0.00 173.24 170.66 1yil s THR 51 N -3.18 0.67 -0.04 2.02 2.01 -1.26 -0.67 115.64 115.19 1yil s THR 51 Ca 0.64 -0.72 -0.13 0.00 0.31 0.00 0.00 61.69 61.79 1yil s THR 51 Cb -0.16 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.67 1yil s THR 51 CO 0.54 -0.06 0.35 -1.81 -0.69 0.00 0.00 174.62 172.95 1yil s ASP 52 N -0.86 6.69 -0.06 3.53 1.01 0.64 -1.03 116.67 126.58 1yil s ASP 52 Ca -0.02 0.82 0.03 0.00 0.71 0.00 0.00 52.55 54.09 1yil s ASP 52 Cb -0.06 -2.21 0.01 0.00 1.01 0.00 0.00 42.92 41.67 1yil s ASP 52 CO 0.00 0.31 -0.14 -0.31 0.21 0.00 0.00 175.17 175.24 1yil s TYR 53 N -0.84 1.58 0.00 4.23 1.51 0.03 -1.78 117.35 122.09 1yil s TYR 53 Ca 0.21 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 1yil s TYR 53 Cb -0.15 -1.12 0.00 0.00 -0.11 0.00 0.00 41.96 40.57 1yil s TYR 53 CO 0.10 -0.26 0.00 0.41 -1.11 0.00 0.00 175.55 174.69 1yil n GLY 54 N 3.64 -1.91 0.25 0.71 0.00 0.49 -1.43 105.19 106.94 1yil n GLY 54 Ca -0.21 -1.69 0.09 0.00 0.00 0.00 0.00 46.02 44.20 1yil n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1yil h ILE 55 N 0.00 0.90 -0.22 -0.61 2.10 -1.70 -1.28 117.51 116.70 1yil h ILE 55 Ca 0.00 -0.39 0.00 0.00 1.08 0.00 0.00 64.86 65.55 1yil h ILE 55 Cb 0.00 1.22 0.00 0.00 -1.09 0.00 0.00 36.82 36.95 1yil h ILE 55 CO 0.00 0.10 0.00 0.18 -1.08 0.00 0.00 178.15 177.35 1yil n LEU 56 N -4.16 3.11 -3.76 2.19 4.77 -1.26 -4.16 117.00 113.73 1yil n LEU 56 Ca -0.03 -2.54 -0.28 0.00 -0.03 0.00 0.00 56.01 53.13 1yil n LEU 56 Cb 0.19 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1yil n LEU 56 CO 0.33 0.68 -0.12 0.00 -1.33 0.00 0.00 177.39 176.95 1yil n GLN 57 N -0.27 -2.41 -2.92 3.23 1.13 -0.48 -4.90 117.38 110.76 1yil n GLN 57 Ca 0.15 0.47 -0.40 0.00 -1.94 0.00 0.00 57.00 55.27 1yil n GLN 57 Cb 0.62 -4.42 -0.04 0.00 0.11 0.00 0.00 30.24 26.50 1yil n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1yil s ILE 58 N -3.65 4.87 0.02 5.09 1.01 -0.51 -4.35 121.20 123.67 1yil s ILE 58 Ca 0.26 1.69 -0.16 0.00 0.00 0.00 0.00 60.65 62.45 1yil s ILE 58 Cb -0.09 -4.15 -0.06 0.00 0.01 0.00 0.00 42.46 38.17 1yil s ILE 58 CO 0.86 0.27 0.45 0.21 0.00 0.00 0.00 174.94 176.73 1yil s ASN 59 N 0.54 6.87 0.12 3.58 3.84 -1.26 -0.79 114.94 127.84 1yil s ASN 59 Ca 0.42 1.03 0.24 0.00 0.21 0.00 0.00 52.86 54.77 1yil s ASN 59 Cb -0.20 -2.28 0.94 0.00 -0.55 0.00 0.00 41.25 39.17 1yil s ASN 59 CO 0.23 0.31 1.76 -1.54 -2.79 0.00 0.00 177.10 175.06 1yil n SER 60 N 1.84 0.39 -0.02 -4.21 3.41 -0.20 -1.99 113.62 112.84 1yil n SER 60 Ca -0.13 0.56 0.03 0.00 -0.26 0.00 0.00 58.87 59.07 1yil n SER 60 Cb 0.52 -0.65 0.39 0.00 -0.26 0.00 0.00 64.21 64.21 1yil n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1yil h ARG 61 N 0.00 0.57 0.00 4.33 9.65 -1.84 -3.38 114.38 123.72 1yil h ARG 61 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1yil h ARG 61 Cb 0.50 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1yil h ARG 61 CO 0.00 0.41 -0.89 0.91 2.80 0.00 0.00 179.97 183.20 1yil n TRP 62 N -4.44 0.00 -0.02 2.20 7.02 -1.19 -1.17 117.44 119.84 1yil n TRP 62 Ca 0.03 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.54 1yil n TRP 62 Cb 0.09 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 28.88 1yil n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1yil n TRP 63 N -2.01 0.00 -3.77 -5.99 7.02 -0.84 -0.65 117.44 111.20 1yil n TRP 63 Ca 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.37 1yil n TRP 63 Cb 0.45 -0.36 -0.07 0.00 -2.42 0.00 0.00 31.31 28.91 1yil n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1yil s ASN 65 N -2.29 6.46 0.00 0.00 2.47 0.06 -4.61 114.94 117.03 1yil s ASN 65 Ca -0.02 0.54 0.00 0.00 0.42 0.00 0.00 52.86 53.80 1yil s ASN 65 Cb 0.00 -2.24 0.01 0.00 -1.45 0.00 0.00 41.25 37.57 1yil s ASN 65 CO -0.06 -0.08 0.79 -0.90 -3.72 0.00 0.00 177.10 173.13 1yil n ASP 66 N 4.46 1.58 0.00 -4.21 5.68 -1.26 -0.60 116.55 122.20 1yil n ASP 66 Ca -0.08 -1.56 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 1yil n ASP 66 Cb 0.51 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1yil n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yil n GLY 67 N -0.25 0.47 0.94 6.12 0.00 -1.26 -4.80 105.19 106.42 1yil n GLY 67 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1yil n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1yil n ARG 68 N -1.79 0.26 -3.79 1.61 1.85 -1.26 -4.92 116.66 108.62 1yil n ARG 68 Ca 0.00 -1.82 -0.28 0.00 -1.00 0.00 0.00 57.85 54.75 1yil n ARG 68 Cb 0.06 -0.46 -0.12 0.00 -1.05 0.00 0.00 32.46 30.89 1yil n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1yil s THR 69 N -0.55 2.29 0.29 8.89 2.01 -1.26 -4.84 115.64 122.46 1yil s THR 69 Ca 0.22 -3.84 -0.30 0.00 0.31 0.00 0.00 61.69 58.08 1yil s THR 69 Cb 0.24 -2.52 -0.13 0.00 0.01 0.00 0.00 72.50 70.11 1yil s THR 69 CO -0.08 -1.04 1.42 -2.65 -0.69 0.00 0.00 174.62 171.57 1yil n PRO 70 N 2.25 2.23 -0.67 4.92 -0.02 -1.26 -1.90 135.00 140.55 1yil n PRO 70 Ca 0.21 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1yil n PRO 70 Cb 0.38 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1yil n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yil n GLY 71 N 1.70 0.82 3.92 -1.23 0.00 -1.26 -5.03 105.19 104.12 1yil n GLY 71 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1yil n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yil s SER 72 N -2.94 4.71 0.49 1.61 1.04 -0.80 -5.08 113.70 112.72 1yil s SER 72 Ca 0.00 0.55 0.07 0.00 0.48 0.00 0.00 55.95 57.05 1yil s SER 72 Cb 0.00 -1.15 0.01 0.00 0.10 0.00 0.00 66.02 64.98 1yil s SER 72 CO 0.00 -1.70 0.41 -0.13 0.98 0.00 0.00 173.24 172.80 1yil s ARG 73 N -5.35 2.36 -0.41 4.02 1.81 -0.32 -5.00 118.95 116.06 1yil s ARG 73 Ca 0.61 -1.79 0.08 0.00 -1.72 0.00 0.00 55.73 52.92 1yil s ARG 73 Cb -0.11 -2.24 0.26 0.00 -0.45 0.00 0.00 34.95 32.41 1yil s ARG 73 CO 0.46 -0.43 0.57 -1.71 -0.68 0.00 0.00 175.30 173.51 1yil n ASN 74 N -1.68 0.62 0.20 0.23 5.15 -1.18 -3.75 115.26 114.86 1yil n ASN 74 Ca 0.02 -2.81 0.05 0.00 -0.60 0.00 0.00 54.58 51.24 1yil n ASN 74 Cb 0.63 -0.64 0.43 0.00 -0.53 0.00 0.00 39.78 39.67 1yil n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1yil h LEU 75 N 3.88 0.00 -0.18 1.20 3.38 -0.89 -1.17 115.31 121.53 1yil h LEU 75 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1yil h LEU 75 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1yil h LEU 75 CO 0.50 0.31 -0.15 0.00 0.09 0.00 0.00 178.44 179.19 1yil n ASN 77 N -1.09 -3.01 -3.78 0.00 5.15 -0.44 -4.99 115.26 107.10 1yil n ASN 77 Ca 0.12 -0.69 -0.13 0.00 -0.60 0.00 0.00 54.58 53.28 1yil n ASN 77 Cb 0.29 -4.88 -0.09 0.00 -0.53 0.00 0.00 39.78 34.57 1yil n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1yil s ILE 78 N -3.43 0.07 0.31 -1.44 -4.36 -1.26 -5.06 121.20 106.02 1yil s ILE 78 Ca 0.12 -0.55 -0.29 0.00 -0.26 0.00 0.00 60.65 59.67 1yil s ILE 78 Cb -0.02 -0.62 -0.10 0.00 1.25 0.00 0.00 42.46 42.97 1yil s ILE 78 CO 0.75 -0.30 1.23 -2.16 0.24 0.00 0.00 174.94 174.70 1yil s PRO 79 N -1.48 4.46 0.38 0.37 0.04 -1.26 -0.76 135.00 136.74 1yil s PRO 79 Ca -0.13 2.06 0.10 0.00 0.04 0.00 0.00 61.00 63.07 1yil s PRO 79 Cb -0.05 -3.12 0.86 0.00 0.04 0.00 0.00 34.50 32.23 1yil s PRO 79 CO 0.03 -0.05 1.91 0.00 0.04 0.00 0.00 177.00 178.93 1yil h SER 81 N 0.63 0.00 0.01 0.00 4.64 -1.91 -0.20 113.55 116.72 1yil h SER 81 Ca 0.38 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1yil h SER 81 Cb 0.61 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1yil h SER 81 CO -0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 175.80 1yil h ALA 82 N 1.61 1.66 0.00 5.18 0.00 -1.44 -1.61 119.26 124.67 1yil h ALA 82 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1yil h ALA 82 Cb 1.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1yil h ALA 82 CO -0.00 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1yil n LEU 83 N -4.05 0.00 -0.40 0.00 4.77 -0.09 -3.33 117.00 113.90 1yil n LEU 83 Ca -0.03 0.03 0.08 0.00 -0.03 0.00 0.00 56.01 56.06 1yil n LEU 83 Cb 0.09 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1yil n LEU 83 CO 0.29 -0.00 0.29 0.18 -1.33 0.00 0.00 177.39 176.82 1yil n LEU 84 N -1.03 1.72 -4.73 2.23 4.77 -0.60 -3.92 117.00 115.44 1yil n LEU 84 Ca 0.21 -0.79 -0.36 0.00 -0.03 0.00 0.00 56.01 55.04 1yil n LEU 84 Cb 0.11 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 1yil n LEU 84 CO 0.17 0.33 0.86 -0.55 -1.33 0.00 0.00 177.39 176.87 1yil s SER 85 N -1.85 4.52 0.56 -1.43 0.15 -1.21 -4.13 113.70 110.31 1yil s SER 85 Ca 0.14 2.51 0.27 0.00 0.70 0.00 0.00 55.95 59.57 1yil s SER 85 Cb 0.13 -2.61 1.62 0.00 -1.71 0.00 0.00 66.02 63.45 1yil s SER 85 CO 0.38 -2.06 2.18 0.77 1.20 0.00 0.00 173.24 175.72 1yil h SER 86 N 0.30 0.00 -3.39 5.45 4.64 -1.93 -3.40 113.55 115.22 1yil h SER 86 Ca -0.50 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.22 1yil h SER 86 Cb 1.32 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.31 1yil h SER 86 CO 0.52 0.05 0.43 -0.62 -0.87 0.00 0.00 176.83 176.34 1yil s ASP 87 N -6.30 6.71 0.00 4.97 -1.08 -1.26 -4.95 116.67 114.76 1yil s ASP 87 Ca -0.04 0.77 0.17 0.00 -0.52 0.00 0.00 52.55 52.93 1yil s ASP 87 Cb 0.15 -2.42 0.87 0.00 -1.46 0.00 0.00 42.92 40.06 1yil s ASP 87 CO 0.58 -0.60 1.58 2.30 0.52 0.00 0.00 175.17 179.55 1yil n ILE 88 N 5.47 0.07 -0.13 4.11 -5.35 -1.26 -4.36 119.36 117.91 1yil n ILE 88 Ca 0.04 -0.10 -0.05 0.00 -0.27 0.00 0.00 62.75 62.37 1yil n ILE 88 Cb 0.48 -0.08 0.01 0.00 -1.74 0.00 0.00 39.64 38.31 1yil n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1yil h THR 89 N 0.61 0.36 -0.66 7.28 2.02 -1.94 0.00 112.91 120.59 1yil h THR 89 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1yil h THR 89 Cb 0.13 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 1yil h THR 89 CO 0.00 0.00 0.36 0.00 0.37 0.00 0.00 175.52 176.25 1yil h ALA 90 N 1.10 0.85 -0.80 6.16 0.00 -1.85 0.12 119.26 124.84 1yil h ALA 90 Ca 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1yil h ALA 90 Cb 0.46 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1yil h ALA 90 CO -0.51 0.37 0.35 0.77 0.00 0.00 0.00 179.25 180.23 1yil h SER 91 N 0.90 1.08 -0.24 0.00 0.02 -1.62 -0.86 113.55 112.84 1yil h SER 91 Ca 0.23 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1yil h SER 91 Cb 0.05 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 1yil h SER 91 CO -0.04 0.94 -0.19 0.58 -1.14 0.00 0.00 176.83 176.98 1yil h VAL 92 N 1.15 1.31 -0.78 2.27 2.07 -0.48 0.18 116.25 121.98 1yil h VAL 92 Ca 0.27 -1.33 0.04 0.00 0.82 0.00 0.00 66.70 66.50 1yil h VAL 92 Cb 0.17 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1yil h VAL 92 CO -0.03 0.41 0.49 0.78 0.02 0.00 0.00 177.57 179.24 1yil h ASN 93 N 0.25 0.80 -0.23 0.57 2.35 -0.86 -0.71 115.58 117.75 1yil h ASN 93 Ca 0.04 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.63 1yil h ASN 93 Cb 0.73 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1yil h ASN 93 CO 0.05 0.54 -0.50 0.00 -1.65 0.00 0.00 177.43 175.87 1yil h ALA 95 N 0.63 1.60 -0.76 0.00 0.00 -0.18 -0.76 119.26 119.79 1yil h ALA 95 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1yil h ALA 95 Cb 1.11 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1yil h ALA 95 CO 0.11 0.20 0.42 0.87 0.00 0.00 0.00 179.25 180.85 1yil h LYS 96 N 0.92 1.06 -0.29 0.00 1.57 -1.06 -0.84 116.57 117.93 1yil h LYS 96 Ca 0.43 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 59.05 1yil h LYS 96 Cb 0.42 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1yil h LYS 96 CO -0.20 0.77 -0.01 0.87 -0.57 0.00 0.00 179.45 180.32 1yil h LYS 97 N 1.06 0.51 -0.14 3.15 1.57 -1.12 -2.91 116.57 118.70 1yil h LYS 97 Ca 0.27 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1yil h LYS 97 Cb 0.02 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1yil h LYS 97 CO -0.04 0.67 0.06 0.82 -0.57 0.00 0.00 179.45 180.38 1yil h ILE 98 N 0.30 0.98 0.00 1.86 2.04 -0.85 -2.41 117.51 119.43 1yil h ILE 98 Ca 0.08 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1yil h ILE 98 Cb 0.44 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1yil h ILE 98 CO 0.02 0.02 0.00 1.62 0.00 0.00 0.00 178.15 179.81 1yil h VAL 99 N 0.13 0.00 -0.01 1.67 3.04 -1.22 -1.82 116.25 118.04 1yil h VAL 99 Ca 0.06 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 1yil h VAL 99 Cb 0.02 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 1yil h VAL 99 CO -0.05 0.00 -0.36 -1.20 -1.01 0.00 0.00 177.57 174.95 1yil n SER 100 N -2.44 0.89 0.24 3.17 7.64 -0.93 -3.73 113.62 118.46 1yil n SER 100 Ca 0.01 -0.71 0.11 0.00 1.01 0.00 0.00 58.87 59.29 1yil n SER 100 Cb 0.22 0.21 0.60 0.00 -1.01 0.00 0.00 64.21 64.23 1yil n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1yil h ASP 101 N 0.82 0.00 0.00 6.43 -0.00 -1.04 -3.47 116.42 119.17 1yil h ASP 101 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1yil h ASP 101 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.84 1yil h ASP 101 CO 0.00 0.19 0.00 0.61 -0.00 0.00 0.00 179.24 180.04 1yil n GLY 102 N -0.39 3.21 1.18 -0.78 0.00 -1.26 -4.98 105.19 102.17 1yil n GLY 102 Ca -0.01 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.70 1yil n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1yil n ASN 103 N 0.00 3.49 0.00 1.61 3.02 -1.26 -5.06 115.26 117.06 1yil n ASN 103 Ca 0.00 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 1yil n ASN 103 Cb 0.00 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 1yil n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yil n GLY 104 N 1.53 1.81 0.00 7.41 0.00 -1.24 -1.91 105.19 112.78 1yil n GLY 104 Ca 0.20 -0.50 0.10 0.00 0.00 0.00 0.00 46.02 45.82 1yil n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1yil n MET 105 N 5.56 0.39 0.12 1.61 2.81 -1.26 -2.53 117.12 123.82 1yil n MET 105 Ca 0.00 0.07 0.08 0.00 -1.81 0.00 0.00 57.70 56.04 1yil n MET 105 Cb 0.00 -1.50 0.44 0.00 -0.71 0.00 0.00 33.22 31.45 1yil n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1yil n ASN 106 N -1.21 0.42 0.32 7.83 3.02 -0.80 -1.26 115.26 123.57 1yil n ASN 106 Ca 0.11 0.69 0.20 0.00 -0.03 0.00 0.00 54.58 55.56 1yil n ASN 106 Cb 0.14 -0.75 1.04 0.00 -0.61 0.00 0.00 39.78 39.60 1yil n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yil h ALA 107 N 2.02 1.07 -2.56 5.41 0.00 -1.65 -3.36 119.26 120.20 1yil h ALA 107 Ca 0.00 -0.01 -0.73 0.00 0.00 0.00 0.00 54.91 54.17 1yil h ALA 107 Cb 0.02 -0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.56 1yil h ALA 107 CO 0.00 0.02 -0.40 -1.58 0.00 0.00 0.00 179.25 177.28 1yil s TRP 108 N -4.09 3.29 0.29 0.00 0.51 -0.39 -4.97 118.94 113.58 1yil s TRP 108 Ca -0.03 -1.20 0.02 0.00 -2.12 0.00 0.00 56.10 52.76 1yil s TRP 108 Cb 0.12 -3.02 0.57 0.00 -0.81 0.00 0.00 33.47 30.33 1yil s TRP 108 CO 0.47 -0.81 1.85 0.28 -0.51 0.00 0.00 176.95 178.23 1yil h VAL 109 N 5.91 0.94 -0.41 4.03 2.07 -1.84 -0.75 116.25 126.19 1yil h VAL 109 Ca -0.26 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 66.81 1yil h VAL 109 Cb 1.10 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1yil h VAL 109 CO 0.81 0.18 -0.20 0.00 0.02 0.00 0.00 177.57 178.38 1yil h ALA 110 N 1.54 0.88 -0.25 1.67 0.00 -1.93 -0.21 119.26 120.95 1yil h ALA 110 Ca 0.48 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1yil h ALA 110 Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1yil h ALA 110 CO -0.24 0.63 0.15 2.35 0.00 0.00 0.00 179.25 182.14 1yil h TRP 111 N 0.70 0.29 -0.72 0.00 7.01 -1.49 0.28 115.95 122.03 1yil h TRP 111 Ca 0.10 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.06 1yil h TRP 111 Cb 0.71 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.65 1yil h TRP 111 CO 0.04 0.18 0.25 -0.09 -2.79 0.00 0.00 178.44 176.03 1yil h ARG 112 N 0.32 1.08 0.00 2.65 2.43 -0.81 0.22 114.38 120.27 1yil h ARG 112 Ca 0.09 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1yil h ARG 112 Cb -0.02 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1yil h ARG 112 CO -0.03 0.91 -0.62 -0.91 -1.51 0.00 0.00 179.97 177.80 1yil h ASN 113 N 1.05 0.00 0.00 -3.80 2.35 -0.91 -3.37 115.58 110.91 1yil h ASN 113 Ca 0.24 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1yil h ASN 113 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1yil h ASN 113 CO -0.01 0.02 -0.04 0.54 -1.65 0.00 0.00 177.43 176.28 1yil n ARG 114 N -2.69 2.89 -0.01 0.81 1.74 0.08 -4.90 116.66 114.58 1yil n ARG 114 Ca 0.02 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.08 1yil n ARG 114 Cb 0.52 -0.25 -0.01 0.00 -1.02 0.00 0.00 32.46 31.71 1yil n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yil n LYS 116 N -2.93 1.71 -0.90 0.00 4.81 0.60 -1.29 118.16 120.16 1yil n LYS 116 Ca -0.03 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1yil n LYS 116 Cb 0.52 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 33.23 1yil n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1yil n GLY 117 N 3.26 0.73 3.93 3.14 0.00 -1.26 -4.93 105.19 110.05 1yil n GLY 117 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1yil n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yil s THR 118 N -2.80 2.05 -1.25 2.61 -4.23 -0.41 -5.01 115.64 106.59 1yil s THR 118 Ca 0.00 -1.31 -0.19 0.00 -1.18 0.00 0.00 61.69 59.01 1yil s THR 118 Cb 0.00 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.48 1yil s THR 118 CO 0.00 0.00 1.87 -0.67 -0.54 0.00 0.00 174.62 175.28 1yil n ASP 119 N -1.84 4.13 0.27 3.99 2.03 -1.26 -4.77 116.55 119.08 1yil n ASP 119 Ca 0.04 -2.83 0.15 0.00 0.52 0.00 0.00 54.79 52.67 1yil n ASP 119 Cb 0.63 -1.69 0.66 0.00 -0.72 0.00 0.00 41.12 40.00 1yil n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1yil h VAL 120 N 5.44 0.19 0.00 5.18 -1.51 -1.92 -2.34 116.25 121.29 1yil h VAL 120 Ca 0.40 -0.65 -0.00 0.00 -1.23 0.00 0.00 66.70 65.23 1yil h VAL 120 Cb 0.84 1.54 -0.00 0.00 -2.13 0.00 0.00 31.29 31.54 1yil h VAL 120 CO 1.49 0.07 -0.00 -0.61 -1.23 0.00 0.00 177.57 177.29 1yil h GLN 121 N 0.00 0.00 -0.30 5.19 -0.00 -1.88 -1.76 115.11 116.36 1yil h GLN 121 Ca -0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.65 58.74 1yil h GLN 121 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.00 1yil h GLN 121 CO 0.01 0.00 0.33 0.00 0.00 0.00 0.00 178.83 179.17 1yil h ALA 122 N 2.00 1.98 0.00 3.38 0.00 -1.82 -0.03 119.26 124.77 1yil h ALA 122 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1yil h ALA 122 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1yil h ALA 122 CO 0.00 -0.48 0.00 -1.49 0.00 0.00 0.00 179.25 177.28 1yil h TRP 123 N 0.00 0.00 -0.03 0.00 4.06 -1.53 -2.99 115.95 115.46 1yil h TRP 123 Ca 0.14 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.09 1yil h TRP 123 Cb 0.80 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.96 1yil h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1yil n ILE 124 N -2.74 0.12 -1.95 1.49 -5.35 -0.07 -4.81 119.36 106.05 1yil n ILE 124 Ca 0.02 -0.56 -0.40 0.00 -0.27 0.00 0.00 62.75 61.54 1yil n ILE 124 Cb 0.34 1.08 -0.00 0.00 -1.74 0.00 0.00 39.64 39.31 1yil n ILE 124 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1yil s ARG 125 N -0.65 4.04 0.00 6.28 1.04 -0.94 -2.40 118.95 126.32 1yil s ARG 125 Ca 0.09 2.34 0.00 0.00 -1.04 0.00 0.00 55.73 57.12 1yil s ARG 125 Cb 0.06 -2.87 0.00 0.00 -2.04 0.00 0.00 34.95 30.11 1yil s ARG 125 CO 0.09 -0.50 0.00 0.41 -0.04 0.00 0.00 175.30 175.26 1yil n GLY 126 N 0.62 2.09 3.84 3.88 0.00 -1.26 -5.01 105.19 109.34 1yil n GLY 126 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1yil n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yil s ARG 128 N -1.97 3.22 0.00 0.00 3.52 -1.26 -5.12 118.95 117.34 1yil s ARG 128 Ca 0.38 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 55.38 1yil s ARG 128 Cb -0.15 -4.35 0.00 0.00 -1.56 0.00 0.00 34.95 28.89 1yil s ARG 128 CO 0.19 -2.02 0.46 1.28 -0.81 0.00 0.00 175.30 174.40