#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yto n PHE 1 N 0.00 2.57 -3.20 -1.40 7.35 -1.26 -5.01 117.46 116.51 1yto n PHE 1 Ca 0.00 -2.62 -0.40 0.00 -0.76 0.00 0.00 57.45 53.67 1yto n PHE 1 Cb 0.00 -0.23 -0.07 0.00 0.35 0.00 0.00 39.48 39.52 1yto n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1yto s ASN 2 N -3.54 6.44 0.02 -2.13 0.01 -1.26 -5.05 114.94 109.44 1yto s ASN 2 Ca 0.43 0.44 -0.01 0.00 -0.71 0.00 0.00 52.86 53.01 1yto s ASN 2 Cb 0.40 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.73 1yto s ASN 2 CO -0.06 -0.36 0.18 -0.76 -1.51 0.00 0.00 177.10 174.59 1yto s LEU 3 N 2.40 4.28 0.65 0.60 1.43 -1.26 -1.26 118.68 125.53 1yto s LEU 3 Ca 0.22 0.27 -0.09 0.00 -1.03 0.00 0.00 54.13 53.51 1yto s LEU 3 Cb -0.15 -2.71 0.01 0.00 0.03 0.00 0.00 46.19 43.37 1yto s LEU 3 CO 0.10 0.22 1.00 -2.16 0.23 0.00 0.00 176.35 175.75 1yto s PRO 4 N -2.17 2.91 0.01 1.29 0.04 -1.26 -4.64 135.00 131.17 1yto s PRO 4 Ca 0.30 0.25 -0.00 0.00 0.04 0.00 0.00 61.00 61.59 1yto s PRO 4 Cb -0.13 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1yto s PRO 4 CO 0.22 -0.87 0.01 -0.35 0.04 0.00 0.00 177.00 176.05 1yto n PRO 5 N -2.80 0.05 0.00 0.56 -0.04 -1.26 -5.00 135.00 126.50 1yto n PRO 5 Ca 0.06 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1yto n PRO 5 Cb 0.57 -0.01 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1yto n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yto n GLY 6 N 4.93 -0.15 2.24 0.55 0.00 -1.26 -5.07 105.19 106.43 1yto n GLY 6 Ca 0.00 -1.76 -0.18 0.00 0.00 0.00 0.00 46.02 44.08 1yto n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1yto n ASN 7 N -1.12 1.80 -0.50 1.61 0.23 -1.26 -5.06 115.26 110.96 1yto n ASN 7 Ca 0.00 -2.42 0.08 0.00 -0.53 0.00 0.00 54.58 51.71 1yto n ASN 7 Cb 0.00 0.50 0.19 0.00 -2.08 0.00 0.00 39.78 38.39 1yto n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1yto n TYR 8 N -0.68 0.48 -0.15 -2.53 4.01 -1.26 -4.72 117.16 112.31 1yto n TYR 8 Ca -0.07 -0.86 -0.09 0.00 -0.16 0.00 0.00 57.90 56.72 1yto n TYR 8 Cb 0.40 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1yto n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1yto h LYS 9 N 1.03 0.65 -6.36 -0.72 1.57 -1.97 -3.44 116.57 107.33 1yto h LYS 9 Ca 0.00 -0.11 -0.63 0.00 -1.87 0.00 0.00 60.65 58.05 1yto h LYS 9 Cb 1.14 -0.11 -0.12 0.00 0.08 0.00 0.00 32.23 33.22 1yto h LYS 9 CO 0.10 0.58 -0.66 0.15 -0.57 0.00 0.00 179.45 179.05 1yto s LYS 10 N -5.63 2.47 0.81 3.15 1.02 -1.26 -5.08 119.74 115.22 1yto s LYS 10 Ca -0.13 -0.97 -0.11 0.00 0.02 0.00 0.00 55.97 54.77 1yto s LYS 10 Cb 0.11 -2.45 0.08 0.00 -0.52 0.00 0.00 37.83 35.06 1yto s LYS 10 CO 0.76 0.50 1.13 -1.25 -0.92 0.00 0.00 175.35 175.57 1yto s PRO 11 N -2.63 1.79 0.24 -1.68 0.04 -1.26 -4.72 135.00 126.79 1yto s PRO 11 Ca 0.26 1.44 0.01 0.00 0.04 0.00 0.00 61.00 62.75 1yto s PRO 11 Cb -0.10 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1yto s PRO 11 CO 0.18 -2.04 0.11 0.15 0.04 0.00 0.00 177.00 175.45 1yto s LYS 12 N -4.57 1.36 -0.14 4.56 -0.14 0.23 -4.33 119.74 116.71 1yto s LYS 12 Ca 0.66 -1.73 0.00 0.00 -1.36 0.00 0.00 55.97 53.54 1yto s LYS 12 Cb -0.22 -0.07 -0.00 0.00 -1.68 0.00 0.00 37.83 35.86 1yto s LYS 12 CO 0.54 -0.34 -0.15 -0.51 -0.76 0.00 0.00 175.35 174.12 1yto s LEU 13 N -3.27 2.50 -0.51 3.17 1.43 0.20 -0.89 118.68 121.31 1yto s LEU 13 Ca 0.38 -0.44 -0.18 0.00 -1.03 0.00 0.00 54.13 52.86 1yto s LEU 13 Cb 0.07 -1.56 0.07 0.00 0.03 0.00 0.00 46.19 44.80 1yto s LEU 13 CO 0.14 0.11 0.57 -0.76 0.23 0.00 0.00 176.35 176.63 1yto s LEU 14 N 0.67 5.28 -0.37 1.79 1.43 -1.26 0.62 118.68 126.83 1yto s LEU 14 Ca -0.08 -1.15 -0.18 0.00 -1.03 0.00 0.00 54.13 51.69 1yto s LEU 14 Cb -0.16 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1yto s LEU 14 CO 0.02 -0.86 0.50 -0.47 0.23 0.00 0.00 176.35 175.77 1yto s TYR 15 N 2.32 3.17 0.29 0.29 5.04 0.66 -1.38 117.35 127.73 1yto s TYR 15 Ca 0.11 0.04 -0.28 0.00 -2.44 0.00 0.00 57.07 54.50 1yto s TYR 15 Cb -0.22 -2.94 -0.09 0.00 0.35 0.00 0.00 41.96 39.06 1yto s TYR 15 CO 0.09 -0.59 0.99 0.00 -1.34 0.00 0.00 175.55 174.70 1yto h SER 17 N 3.61 0.00 0.28 0.00 0.02 -0.86 0.95 113.55 117.54 1yto h SER 17 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1yto h SER 17 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1yto h SER 17 CO 0.66 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.94 1yto n ASN 18 N -4.36 0.12 0.00 3.07 3.02 -1.26 -4.83 115.26 111.02 1yto n ASN 18 Ca 0.02 0.54 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 1yto n ASN 18 Cb 0.29 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 1yto n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yto n GLY 20 N -0.71 1.17 3.33 7.41 0.00 0.32 -4.83 105.19 111.88 1yto n GLY 20 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1yto n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yto s HIS 21 N -2.00 2.01 -0.06 1.61 3.76 -1.21 -4.54 115.29 114.84 1yto s HIS 21 Ca 0.00 -0.40 -0.15 0.00 -0.15 0.00 0.00 55.06 54.36 1yto s HIS 21 Cb 0.00 -1.08 -0.05 0.00 1.11 0.00 0.00 32.58 32.56 1yto s HIS 21 CO 0.00 0.28 0.39 -0.06 -0.85 0.00 0.00 174.74 174.50 1yto s PHE 22 N -1.22 3.62 0.14 1.40 0.08 0.22 -0.15 117.98 122.07 1yto s PHE 22 Ca 0.11 0.87 -0.31 0.00 0.12 0.00 0.00 56.93 57.72 1yto s PHE 22 Cb -0.10 -2.34 -0.10 0.00 -0.57 0.00 0.00 43.02 39.91 1yto s PHE 22 CO 0.05 0.46 1.75 -1.17 -0.10 0.00 0.00 175.22 176.21 1yto s LEU 23 N -0.38 4.38 -0.04 -0.37 2.96 -0.48 -2.04 118.68 122.71 1yto s LEU 23 Ca 0.22 2.72 0.06 0.00 -0.22 0.00 0.00 54.13 56.91 1yto s LEU 23 Cb -0.15 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 1yto s LEU 23 CO 0.10 -0.96 -0.21 -0.60 -1.32 0.00 0.00 176.35 173.36 1yto s ARG 24 N 2.23 2.03 -0.29 1.98 3.52 -0.32 -4.48 118.95 123.61 1yto s ARG 24 Ca 0.77 -0.76 -0.01 0.00 -0.13 0.00 0.00 55.73 55.61 1yto s ARG 24 Cb -0.45 -1.80 0.05 0.00 -1.56 0.00 0.00 34.95 31.19 1yto s ARG 24 CO 0.34 0.36 -0.02 0.42 -0.81 0.00 0.00 175.30 175.59 1yto s ILE 25 N -0.21 2.78 0.37 4.11 1.01 -0.65 -1.70 121.20 126.91 1yto s ILE 25 Ca 0.00 -1.47 -0.17 0.00 0.00 0.00 0.00 60.65 59.02 1yto s ILE 25 Cb -0.11 -2.62 -0.09 0.00 0.01 0.00 0.00 42.46 39.65 1yto s ILE 25 CO 0.02 -0.10 0.82 -0.76 0.00 0.00 0.00 174.94 174.91 1yto s LEU 26 N 1.21 3.99 0.32 2.97 1.43 0.27 -4.78 118.68 124.08 1yto s LEU 26 Ca -0.06 1.41 0.10 0.00 -1.03 0.00 0.00 54.13 54.55 1yto s LEU 26 Cb -0.20 -4.24 0.91 0.00 0.03 0.00 0.00 46.19 42.69 1yto s LEU 26 CO -0.02 -0.28 1.72 -0.65 0.23 0.00 0.00 176.35 177.34 1yto h PRO 27 N 2.02 0.51 -0.28 1.29 0.11 -1.98 0.28 132.00 133.94 1yto h PRO 27 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1yto h PRO 27 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1yto h PRO 27 CO 0.64 0.34 0.00 -0.40 -0.21 0.00 0.00 178.00 178.37 1yto n ASP 28 N -4.92 0.28 0.00 -2.05 5.75 -1.26 -4.79 116.55 109.56 1yto n ASP 28 Ca 0.27 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.49 1yto n ASP 28 Cb 0.78 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 1yto n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yto n GLY 29 N 0.22 0.82 3.74 6.12 0.00 0.97 -4.97 105.19 112.08 1yto n GLY 29 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1yto n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yto s THR 30 N -3.23 4.32 -0.14 2.61 2.01 -1.20 -0.84 115.64 119.18 1yto s THR 30 Ca 0.00 2.05 0.02 0.00 0.31 0.00 0.00 61.69 64.07 1yto s THR 30 Cb 0.00 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.20 1yto s THR 30 CO 0.00 0.37 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.42 1yto s VAL 31 N -0.40 2.30 0.00 3.82 1.01 -1.26 0.95 120.40 126.82 1yto s VAL 31 Ca 0.45 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1yto s VAL 31 Cb -0.25 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.20 1yto s VAL 31 CO 0.31 0.54 0.00 -0.90 0.00 0.00 0.00 175.10 175.05 1yto n ASP 32 N 3.98 0.00 -4.07 3.32 5.75 -0.69 -4.41 116.55 120.43 1yto n ASP 32 Ca -0.19 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.48 1yto n ASP 32 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 1yto n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1yto s GLY 33 N 0.00 0.50 0.05 6.12 0.00 0.15 -1.18 107.32 112.96 1yto s GLY 33 Ca 0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 44.72 43.75 1yto s GLY 33 CO 0.00 -1.00 0.07 -1.08 0.00 0.00 0.00 173.10 171.09 1yto s THR 34 N -2.29 0.16 -0.24 0.90 -1.32 -0.87 -4.72 115.64 107.26 1yto s THR 34 Ca -0.04 -1.32 0.22 0.00 -1.21 0.00 0.00 61.69 59.34 1yto s THR 34 Cb -0.04 -1.15 -0.26 0.00 -1.51 0.00 0.00 72.50 69.54 1yto s THR 34 CO -0.03 -0.73 0.66 0.54 -2.21 0.00 0.00 174.62 172.85 1yto n ARG 35 N 0.42 0.53 -2.06 7.08 1.74 -1.26 0.73 116.66 123.85 1yto n ARG 35 Ca -0.17 -0.11 -0.38 0.00 -0.77 0.00 0.00 57.85 56.42 1yto n ARG 35 Cb 0.60 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 1yto n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1yto s ASP 36 N -4.38 5.29 0.32 0.55 2.15 -1.26 -4.82 116.67 114.52 1yto s ASP 36 Ca -0.04 0.22 0.21 0.00 0.43 0.00 0.00 52.55 53.38 1yto s ASP 36 Cb 0.14 -2.53 1.16 0.00 -0.30 0.00 0.00 42.92 41.38 1yto s ASP 36 CO 0.88 -2.39 1.65 -1.14 -0.17 0.00 0.00 175.17 173.99 1yto n ARG 37 N 9.17 0.14 -0.22 4.34 0.63 -1.26 -0.98 116.66 128.48 1yto n ARG 37 Ca 0.22 0.64 0.11 0.00 -0.92 0.00 0.00 57.85 57.89 1yto n ARG 37 Cb 0.52 -1.97 0.26 0.00 0.45 0.00 0.00 32.46 31.72 1yto n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1yto n SER 38 N -2.25 3.18 -4.68 6.15 3.41 -1.26 -4.98 113.62 113.19 1yto n SER 38 Ca -0.01 -1.95 -0.39 0.00 -0.26 0.00 0.00 58.87 56.25 1yto n SER 38 Cb 0.05 -0.29 0.04 0.00 -0.26 0.00 0.00 64.21 63.75 1yto n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1yto n ASP 39 N 1.28 1.84 0.02 4.04 -0.08 -0.15 -4.91 116.55 118.58 1yto n ASP 39 Ca 0.20 0.93 0.12 0.00 -1.51 0.00 0.00 54.79 54.52 1yto n ASP 39 Cb 0.54 -1.48 0.29 0.00 2.34 0.00 0.00 41.12 42.81 1yto n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1yto n GLN 40 N -0.87 0.08 -0.55 -0.67 1.13 -1.26 -4.09 117.38 111.15 1yto n GLN 40 Ca 0.12 0.03 0.05 0.00 -1.94 0.00 0.00 57.00 55.25 1yto n GLN 40 Cb 0.45 -1.55 0.25 0.00 0.11 0.00 0.00 30.24 29.49 1yto n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1yto n HIS 41 N -1.68 1.07 0.53 1.08 8.25 -1.26 -4.40 115.22 118.81 1yto n HIS 41 Ca 0.05 -1.04 0.06 0.00 -0.26 0.00 0.00 57.72 56.53 1yto n HIS 41 Cb 0.37 -0.37 0.01 0.00 1.12 0.00 0.00 29.99 31.11 1yto n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1yto n ILE 42 N -0.62 0.00 -2.56 1.59 -5.35 -1.26 -1.64 119.36 109.53 1yto n ILE 42 Ca 0.25 -0.40 -0.43 0.00 -0.27 0.00 0.00 62.75 61.90 1yto n ILE 42 Cb 0.95 1.16 -0.02 0.00 -1.74 0.00 0.00 39.64 40.00 1yto n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1yto s GLN 43 N -1.45 4.14 0.02 6.28 1.11 -1.26 -4.50 119.66 124.00 1yto s GLN 43 Ca 0.11 1.33 0.07 0.00 0.01 0.00 0.00 55.36 56.87 1yto s GLN 43 Cb 0.10 -3.74 -0.02 0.00 -1.01 0.00 0.00 33.01 28.34 1yto s GLN 43 CO 0.28 -0.81 -0.20 -0.51 0.01 0.00 0.00 175.29 174.06 1yto s LEU 44 N 3.59 2.11 -0.23 2.90 1.43 -0.06 -2.01 118.68 126.41 1yto s LEU 44 Ca 0.49 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1yto s LEU 44 Cb -0.16 -1.00 -0.01 0.00 0.03 0.00 0.00 46.19 45.05 1yto s LEU 44 CO 0.13 0.20 -0.03 -1.58 0.23 0.00 0.00 176.35 175.30 1yto s GLN 45 N -0.88 3.34 0.03 1.70 2.00 0.12 0.77 119.66 126.74 1yto s GLN 45 Ca 0.08 -0.65 -0.09 0.00 -2.00 0.00 0.00 55.36 52.69 1yto s GLN 45 Cb -0.08 -3.05 -0.05 0.00 0.80 0.00 0.00 33.01 30.62 1yto s GLN 45 CO 0.01 -0.22 0.34 -0.51 -0.50 0.00 0.00 175.29 174.40 1yto s LEU 46 N 1.48 4.38 0.02 3.68 1.02 -1.26 -0.78 118.68 127.21 1yto s LEU 46 Ca 0.05 0.72 0.00 0.00 0.02 0.00 0.00 54.13 54.93 1yto s LEU 46 Cb -0.15 -2.75 -0.02 0.00 0.02 0.00 0.00 46.19 43.30 1yto s LEU 46 CO -0.03 0.24 -0.03 -0.94 0.02 0.00 0.00 176.35 175.62 1yto s SER 47 N -1.57 0.22 0.04 2.29 1.04 -0.56 -4.75 113.70 110.40 1yto s SER 47 Ca 0.28 -0.39 -0.02 0.00 0.48 0.00 0.00 55.95 56.30 1yto s SER 47 Cb -0.14 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 1yto s SER 47 CO 0.16 -0.23 0.23 0.00 0.98 0.00 0.00 173.24 174.37 1yto s ALA 48 N -1.13 3.94 0.00 5.32 0.00 -1.26 -0.27 121.76 128.36 1yto s ALA 48 Ca -0.12 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1yto s ALA 48 Cb -0.08 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1yto s ALA 48 CO -0.01 0.76 0.00 -1.91 0.00 0.00 0.00 175.76 174.60 1yto n GLU 49 N 0.63 0.00 -2.40 0.00 4.07 -0.12 -4.93 120.64 117.88 1yto n GLU 49 Ca -0.08 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.78 1yto n GLU 49 Cb 0.52 0.00 0.08 0.00 -0.06 0.00 0.00 31.44 31.98 1yto n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1yto s SER 50 N -0.54 4.61 0.16 4.31 0.01 -1.26 -4.94 113.70 116.05 1yto s SER 50 Ca 0.00 0.06 -0.31 0.00 1.31 0.00 0.00 55.95 57.01 1yto s SER 50 Cb 0.00 -0.62 -0.11 0.00 0.21 0.00 0.00 66.02 65.50 1yto s SER 50 CO 0.00 -1.68 1.74 -0.69 0.41 0.00 0.00 173.24 173.02 1yto s VAL 51 N -3.16 2.37 0.00 3.43 1.01 -1.26 -1.67 120.40 121.12 1yto s VAL 51 Ca 0.63 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1yto s VAL 51 Cb -0.08 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1yto s VAL 51 CO 0.44 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1yto n GLY 52 N 4.06 1.25 3.41 4.51 0.00 -1.26 -5.02 105.19 112.13 1yto n GLY 52 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1yto n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yto s GLU 53 N -0.38 3.38 0.11 1.61 2.02 -0.67 -0.76 118.70 124.00 1yto s GLU 53 Ca 0.00 -0.65 0.03 0.00 0.02 0.00 0.00 54.97 54.37 1yto s GLU 53 Cb 0.00 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.52 1yto s GLU 53 CO 0.00 0.26 -0.08 0.14 0.02 0.00 0.00 175.26 175.60 1yto s VAL 54 N 0.25 0.83 0.00 2.63 -7.23 0.24 -0.94 120.40 116.17 1yto s VAL 54 Ca -0.08 -1.93 0.03 0.00 -1.81 0.00 0.00 61.98 58.20 1yto s VAL 54 Cb -0.15 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 1yto s VAL 54 CO 0.05 -0.81 -0.05 -0.31 -0.31 0.00 0.00 175.10 173.66 1yto s TYR 55 N -3.41 2.92 -0.29 2.82 2.02 0.62 -1.55 117.35 120.49 1yto s TYR 55 Ca 0.12 -0.02 0.03 0.00 -0.37 0.00 0.00 57.07 56.83 1yto s TYR 55 Cb 0.04 -1.62 0.07 0.00 -0.40 0.00 0.00 41.96 40.05 1yto s TYR 55 CO -0.03 0.39 -0.05 0.42 -1.57 0.00 0.00 175.55 174.71 1yto s ILE 56 N -1.01 2.31 -0.07 2.71 1.01 -1.26 -1.49 121.20 123.39 1yto s ILE 56 Ca 0.17 -1.80 0.02 0.00 0.00 0.00 0.00 60.65 59.05 1yto s ILE 56 Cb -0.11 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 1yto s ILE 56 CO 0.08 -0.19 -0.12 -0.75 0.00 0.00 0.00 174.94 173.95 1yto s LYS 57 N 1.07 2.74 -0.18 2.79 2.20 0.04 -0.69 119.74 127.71 1yto s LYS 57 Ca -0.03 -0.66 -0.29 0.00 -0.36 0.00 0.00 55.97 54.63 1yto s LYS 57 Cb -0.20 -2.48 -0.02 0.00 -1.51 0.00 0.00 37.83 33.62 1yto s LYS 57 CO -0.05 0.55 1.33 0.45 -0.36 0.00 0.00 175.35 177.26 1yto s SER 58 N -0.53 6.83 0.47 1.43 0.15 0.35 0.14 113.70 122.54 1yto s SER 58 Ca 0.07 1.64 0.24 0.00 0.70 0.00 0.00 55.95 58.60 1yto s SER 58 Cb -0.12 -2.54 1.14 0.00 -1.71 0.00 0.00 66.02 62.79 1yto s SER 58 CO 0.02 -0.87 1.94 0.71 1.20 0.00 0.00 173.24 176.24 1yto h THR 59 N 5.63 0.69 0.00 6.45 1.35 -1.74 0.34 112.91 125.63 1yto h THR 59 Ca -0.28 -0.88 -0.01 0.00 -0.55 0.00 0.00 66.41 64.68 1yto h THR 59 Cb 1.11 1.56 -0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1yto h THR 59 CO 0.98 0.20 -0.08 -0.08 -0.25 0.00 0.00 175.52 176.29 1yto h GLU 60 N 0.00 0.00 0.00 4.72 4.57 -1.82 -3.39 114.58 118.65 1yto h GLU 60 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1yto h GLU 60 Cb 0.54 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1yto h GLU 60 CO 0.03 0.98 -1.32 0.25 -1.18 0.00 0.00 179.01 177.77 1yto n THR 61 N -4.60 0.01 -0.94 0.32 -2.24 -1.23 -4.98 114.28 100.62 1yto n THR 61 Ca -0.11 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1yto n THR 61 Cb 0.48 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1yto n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yto n GLY 62 N 1.42 0.69 3.79 3.38 0.00 0.12 -5.01 105.19 109.58 1yto n GLY 62 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1yto n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yto s GLN 63 N -0.24 4.28 -0.04 1.61 -0.21 -1.25 -4.71 119.66 119.10 1yto s GLN 63 Ca 0.00 1.36 -0.10 0.00 0.02 0.00 0.00 55.36 56.64 1yto s GLN 63 Cb 0.00 -2.50 -0.05 0.00 1.00 0.00 0.00 33.01 31.46 1yto s GLN 63 CO 0.00 -0.01 0.28 0.71 -2.12 0.00 0.00 175.29 174.15 1yto s TYR 64 N -1.78 3.65 0.32 0.91 1.51 0.14 -0.50 117.35 121.60 1yto s TYR 64 Ca 0.57 0.75 -0.29 0.00 -1.01 0.00 0.00 57.07 57.10 1yto s TYR 64 Cb -0.18 -2.11 -0.10 0.00 -0.11 0.00 0.00 41.96 39.47 1yto s TYR 64 CO 0.23 0.67 1.22 -1.17 -1.11 0.00 0.00 175.55 175.39 1yto s LEU 65 N -1.18 4.45 0.05 -1.29 2.96 0.13 0.61 118.68 124.41 1yto s LEU 65 Ca 0.21 2.51 -0.11 0.00 -0.22 0.00 0.00 54.13 56.53 1yto s LEU 65 Cb -0.14 -3.68 0.01 0.00 0.50 0.00 0.00 46.19 42.88 1yto s LEU 65 CO 0.10 -0.42 0.23 0.00 -1.32 0.00 0.00 176.35 174.94 1yto s ALA 66 N -1.18 -0.45 -0.15 5.97 0.00 -0.00 -4.37 121.76 121.58 1yto s ALA 66 Ca 0.48 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1yto s ALA 66 Cb -0.36 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1yto s ALA 66 CO 0.47 -0.39 -0.17 1.41 0.00 0.00 0.00 175.76 177.09 1yto s MET 67 N -2.67 2.53 1.01 0.00 1.75 -0.68 -0.29 119.30 120.95 1yto s MET 67 Ca -0.04 -0.65 -0.17 0.00 -1.25 0.00 0.00 55.69 53.58 1yto s MET 67 Cb -0.01 -2.22 0.21 0.00 2.84 0.00 0.00 34.83 35.66 1yto s MET 67 CO -0.04 -0.18 1.27 0.16 -0.65 0.00 0.00 175.02 175.58 1yto s ASP 68 N 1.30 2.71 0.06 1.11 1.47 0.64 -4.82 116.67 119.15 1yto s ASP 68 Ca 0.02 0.36 0.06 0.00 1.18 0.00 0.00 52.55 54.18 1yto s ASP 68 Cb -0.13 -0.46 0.30 0.00 -0.34 0.00 0.00 42.92 42.28 1yto s ASP 68 CO -0.09 -2.99 1.19 0.35 0.68 0.00 0.00 175.17 174.31 1yto n THR 69 N -3.96 1.68 0.12 2.11 -2.24 -1.26 -0.37 114.28 110.35 1yto n THR 69 Ca 0.14 0.50 0.09 0.00 -2.27 0.00 0.00 64.05 62.51 1yto n THR 69 Cb 0.59 -1.46 0.19 0.00 -2.10 0.00 0.00 70.33 67.55 1yto n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1yto n ASP 70 N -1.65 3.16 0.00 3.42 8.00 -1.26 -4.97 116.55 123.25 1yto n ASP 70 Ca 0.00 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.59 1yto n ASP 70 Cb 0.04 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 1yto n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yto n GLY 71 N 1.13 0.52 3.89 0.44 0.00 0.50 -4.58 105.19 107.09 1yto n GLY 71 Ca 0.16 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 1yto n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yto s LEU 72 N 0.00 4.35 0.26 0.99 1.02 -1.26 -0.13 118.68 123.92 1yto s LEU 72 Ca 0.00 0.36 -0.15 0.00 0.02 0.00 0.00 54.13 54.36 1yto s LEU 72 Cb 0.00 -2.47 -0.08 0.00 0.02 0.00 0.00 46.19 43.66 1yto s LEU 72 CO 0.00 0.30 0.68 -0.76 0.02 0.00 0.00 176.35 176.59 1yto s LEU 73 N -1.72 4.18 0.19 1.79 1.43 -1.26 -0.26 118.68 123.03 1yto s LEU 73 Ca 0.24 1.23 -0.23 0.00 -1.03 0.00 0.00 54.13 54.34 1yto s LEU 73 Cb -0.12 -3.80 0.06 0.00 0.03 0.00 0.00 46.19 42.35 1yto s LEU 73 CO 0.15 -0.09 0.67 -0.72 0.23 0.00 0.00 176.35 176.59 1yto s TYR 74 N -1.78 -0.40 -0.20 0.29 1.13 0.61 -4.44 117.35 112.56 1yto s TYR 74 Ca 0.48 0.11 -0.23 0.00 -1.41 0.00 0.00 57.07 56.02 1yto s TYR 74 Cb -0.12 0.61 -0.02 0.00 -1.10 0.00 0.00 41.96 41.33 1yto s TYR 74 CO 0.19 -0.95 0.74 0.20 -2.51 0.00 0.00 175.55 173.21 1yto s GLY 75 N -2.80 2.01 -0.10 5.49 0.00 -0.02 -0.82 107.32 111.08 1yto s GLY 75 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 44.72 44.60 1yto s GLY 75 CO -0.06 1.54 -0.01 -0.45 0.00 0.00 0.00 173.10 174.12 1yto s SER 76 N 1.22 5.15 0.18 1.64 0.15 0.20 -4.78 113.70 117.47 1yto s SER 76 Ca 0.33 0.09 -0.08 0.00 0.70 0.00 0.00 55.95 56.99 1yto s SER 76 Cb -0.16 -1.52 0.08 0.00 -1.71 0.00 0.00 66.02 62.71 1yto s SER 76 CO 0.11 0.33 1.62 1.56 1.20 0.00 0.00 173.24 178.06 1yto h GLN 77 N 5.48 0.99 -6.60 5.44 1.08 -1.91 0.40 115.11 120.00 1yto h GLN 77 Ca -0.47 -0.36 -0.65 0.00 -1.45 0.00 0.00 58.65 55.72 1yto h GLN 77 Cb 1.19 -0.07 -0.17 0.00 -0.05 0.00 0.00 27.48 28.38 1yto h GLN 77 CO 0.56 1.04 -0.79 0.95 -0.95 0.00 0.00 178.83 179.64 1yto s THR 78 N -4.84 2.66 -1.27 -0.54 -4.23 -1.26 -4.75 115.64 101.41 1yto s THR 78 Ca -0.11 -1.83 -0.14 0.00 -1.18 0.00 0.00 61.69 58.43 1yto s THR 78 Cb 0.13 -2.28 0.13 0.00 1.34 0.00 0.00 72.50 71.82 1yto s THR 78 CO 0.86 -0.07 1.68 -0.81 -0.54 0.00 0.00 174.62 175.74 1yto n PRO 79 N 0.31 3.33 -0.74 3.99 -0.04 -1.26 -4.83 135.00 135.74 1yto n PRO 79 Ca -0.13 -3.51 -0.01 0.00 -0.04 0.00 0.00 63.50 59.81 1yto n PRO 79 Cb 0.55 -3.16 0.01 0.00 -0.04 0.00 0.00 33.50 30.86 1yto n PRO 79 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1yto n ASN 80 N 6.01 0.07 0.33 3.54 0.23 -1.26 -4.90 115.26 119.29 1yto n ASN 80 Ca 0.42 -1.06 0.22 0.00 -0.53 0.00 0.00 54.58 53.63 1yto n ASN 80 Cb 0.42 -0.03 1.17 0.00 -2.08 0.00 0.00 39.78 39.26 1yto n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1yto h GLU 81 N 0.00 0.00 -0.00 -3.83 4.11 -1.99 -0.26 114.58 112.61 1yto h GLU 81 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1yto h GLU 81 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1yto h GLU 81 CO 0.02 0.00 -0.07 0.39 0.07 0.00 0.00 179.01 179.42 1yto n GLU 82 N -3.13 0.73 0.00 1.06 1.02 -1.26 -3.73 120.64 115.33 1yto n GLU 82 Ca -0.03 -0.19 0.11 0.00 -0.02 0.00 0.00 57.16 57.02 1yto n GLU 82 Cb 0.09 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 29.97 1yto n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yto s LEU 84 N -2.59 4.31 0.04 0.00 1.43 -1.24 -4.48 118.68 116.14 1yto s LEU 84 Ca 0.15 0.89 0.07 0.00 -1.03 0.00 0.00 54.13 54.21 1yto s LEU 84 Cb 0.17 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 1yto s LEU 84 CO 0.64 0.03 -0.20 -0.36 0.23 0.00 0.00 176.35 176.70 1yto s PHE 85 N 0.40 1.73 -0.33 0.29 0.08 -0.59 -1.35 117.98 118.21 1yto s PHE 85 Ca 0.27 -0.37 -0.21 0.00 0.12 0.00 0.00 56.93 56.74 1yto s PHE 85 Cb -0.16 -1.03 -0.00 0.00 -0.57 0.00 0.00 43.02 41.26 1yto s PHE 85 CO 0.12 0.09 0.65 -0.51 -0.10 0.00 0.00 175.22 175.47 1yto s LEU 86 N -1.20 4.19 -0.33 -0.37 1.43 0.93 -0.60 118.68 122.73 1yto s LEU 86 Ca 0.07 0.32 -0.21 0.00 -1.03 0.00 0.00 54.13 53.27 1yto s LEU 86 Cb -0.09 -2.83 -0.00 0.00 0.03 0.00 0.00 46.19 43.30 1yto s LEU 86 CO 0.02 -0.55 0.69 -0.70 0.23 0.00 0.00 176.35 176.03 1yto s GLU 87 N 2.71 3.84 0.08 1.70 2.12 0.06 -1.15 118.70 128.06 1yto s GLU 87 Ca 0.26 0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.93 1yto s GLU 87 Cb -0.15 -3.76 -0.03 0.00 0.26 0.00 0.00 34.13 30.45 1yto s GLU 87 CO 0.13 -0.67 -0.11 1.03 -0.54 0.00 0.00 175.26 175.10 1yto s ARG 88 N 2.78 0.79 0.41 4.30 1.81 -0.38 -4.63 118.95 124.03 1yto s ARG 88 Ca 0.27 -1.04 -0.22 0.00 -1.72 0.00 0.00 55.73 53.02 1yto s ARG 88 Cb -0.14 -0.57 -0.10 0.00 -0.45 0.00 0.00 34.95 33.68 1yto s ARG 88 CO 0.13 0.10 0.98 -1.17 -0.68 0.00 0.00 175.30 174.66 1yto s LEU 89 N -2.12 4.03 -0.01 2.53 2.96 -0.39 -0.50 118.68 125.18 1yto s LEU 89 Ca 0.01 1.80 0.00 0.00 -0.22 0.00 0.00 54.13 55.72 1yto s LEU 89 Cb -0.06 -4.40 0.01 0.00 0.50 0.00 0.00 46.19 42.24 1yto s LEU 89 CO 0.01 -0.39 -0.01 -0.70 -1.32 0.00 0.00 176.35 173.94 1yto s GLU 90 N -2.89 0.10 -1.40 1.98 2.56 0.16 -4.81 118.70 114.40 1yto s GLU 90 Ca 0.60 -0.00 -0.07 0.00 0.00 0.00 0.00 54.97 55.50 1yto s GLU 90 Cb -0.14 -0.15 0.04 0.00 2.00 0.00 0.00 34.13 35.88 1yto s GLU 90 CO 0.18 -0.01 0.53 0.39 -0.56 0.00 0.00 175.26 175.79 1yto n GLU 91 N 3.30 -4.05 -1.79 4.30 1.02 -1.26 -1.07 120.64 121.09 1yto n GLU 91 Ca -0.16 0.67 -0.13 0.00 -0.02 0.00 0.00 57.16 57.52 1yto n GLU 91 Cb 0.57 -5.44 -0.04 0.00 -0.02 0.00 0.00 31.44 26.51 1yto n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1yto n ASN 92 N -2.39 -3.72 0.10 1.62 4.13 -1.26 -4.61 115.26 109.13 1yto n ASN 92 Ca -0.06 0.27 0.00 0.00 1.68 0.00 0.00 54.58 56.47 1yto n ASN 92 Cb 0.58 -3.34 0.00 0.00 -1.54 0.00 0.00 39.78 35.47 1yto n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1yto n HIS 93 N -2.48 -2.15 -2.54 3.10 -0.00 -0.23 -5.14 115.22 105.77 1yto n HIS 93 Ca -0.14 0.46 -0.25 0.00 0.46 0.00 0.00 57.72 58.25 1yto n HIS 93 Cb 0.50 1.16 0.03 0.00 -0.12 0.00 0.00 29.99 31.57 1yto n HIS 93 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 1yto s TYR 94 N -2.00 3.11 -0.04 1.57 1.51 -0.42 -4.82 117.35 116.26 1yto s TYR 94 Ca 0.00 0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 56.41 1yto s TYR 94 Cb 0.00 -2.73 -0.04 0.00 -0.11 0.00 0.00 41.96 39.09 1yto s TYR 94 CO 0.00 -0.83 0.15 -0.80 -1.11 0.00 0.00 175.55 172.96 1yto s ASN 95 N -4.35 6.26 0.09 2.29 -0.87 -0.15 0.36 114.94 118.57 1yto s ASN 95 Ca 0.54 0.35 0.03 0.00 -1.57 0.00 0.00 52.86 52.21 1yto s ASN 95 Cb -0.10 -1.96 -0.04 0.00 -0.02 0.00 0.00 41.25 39.13 1yto s ASN 95 CO 0.42 0.31 -0.09 0.42 -2.57 0.00 0.00 177.10 175.60 1yto s THR 96 N -1.21 0.80 -0.14 1.60 -4.23 0.34 -1.07 115.64 111.73 1yto s THR 96 Ca 0.23 -1.62 -0.01 0.00 -1.18 0.00 0.00 61.69 59.10 1yto s THR 96 Cb -0.12 -1.31 0.04 0.00 1.34 0.00 0.00 72.50 72.44 1yto s THR 96 CO 0.13 -0.62 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.27 1yto s TYR 97 N -2.58 1.25 -0.14 3.99 2.02 -1.26 -1.25 117.35 119.38 1yto s TYR 97 Ca 0.04 -0.76 -0.06 0.00 -0.37 0.00 0.00 57.07 55.93 1yto s TYR 97 Cb -0.02 -1.10 -0.04 0.00 -0.40 0.00 0.00 41.96 40.40 1yto s TYR 97 CO -0.01 -0.53 0.07 0.42 -1.57 0.00 0.00 175.55 173.93 1yto s ILE 98 N 1.78 4.88 0.07 2.71 1.01 -0.30 -1.13 121.20 130.22 1yto s ILE 98 Ca 0.02 -0.02 -0.32 0.00 0.00 0.00 0.00 60.65 60.33 1yto s ILE 98 Cb -0.15 -3.14 -0.11 0.00 0.01 0.00 0.00 42.46 39.08 1yto s ILE 98 CO -0.07 0.55 1.85 -0.24 0.00 0.00 0.00 174.94 177.03 1yto n SER 99 N 2.70 3.88 -0.00 3.58 2.88 -0.43 -0.05 113.62 126.17 1yto n SER 99 Ca -0.18 0.98 -0.13 0.00 -1.33 0.00 0.00 58.87 58.21 1yto n SER 99 Cb 0.53 -1.50 -0.09 0.00 -0.75 0.00 0.00 64.21 62.41 1yto n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1yto h LYS 100 N 8.85 0.03 -0.90 -1.46 3.64 -1.53 0.17 116.57 125.38 1yto h LYS 100 Ca -0.47 -0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.03 1yto h LYS 100 Cb 1.24 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.97 1yto h LYS 100 CO 0.94 0.33 0.52 -0.22 -2.27 0.00 0.00 179.45 178.75 1yto h LYS 101 N -0.27 0.76 -0.57 1.90 3.64 -1.76 -2.07 116.57 118.20 1yto h LYS 101 Ca 0.01 -0.05 -0.32 0.00 -1.27 0.00 0.00 60.65 59.02 1yto h LYS 101 Cb 0.32 -0.17 -0.19 0.00 -0.41 0.00 0.00 32.23 31.78 1yto h LYS 101 CO 0.00 0.50 0.09 0.72 -2.27 0.00 0.00 179.45 178.50 1yto n HIS 102 N -4.76 1.79 -0.07 1.91 8.25 -1.13 -4.72 115.22 116.49 1yto n HIS 102 Ca 0.17 -1.82 0.05 0.00 -0.26 0.00 0.00 57.72 55.87 1yto n HIS 102 Cb 0.39 -0.66 0.40 0.00 1.12 0.00 0.00 29.99 31.24 1yto n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yto h ALA 103 N 1.15 1.72 0.00 -1.41 0.00 0.09 -1.27 119.26 119.55 1yto h ALA 103 Ca 0.35 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1yto h ALA 103 Cb 1.86 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1yto h ALA 103 CO 0.66 0.22 -0.13 1.05 0.00 0.00 0.00 179.25 181.05 1yto h GLU 104 N 0.63 0.00 -0.01 0.00 9.09 -1.84 -1.26 114.58 121.18 1yto h GLU 104 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.62 1yto h GLU 104 Cb 0.08 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.18 1yto h GLU 104 CO -0.05 0.13 -0.13 1.63 0.05 0.00 0.00 179.01 180.63 1yto n LYS 105 N -3.84 1.09 -3.49 1.06 5.02 -0.49 -4.95 118.16 112.56 1yto n LYS 105 Ca -0.02 -0.58 -0.19 0.00 -2.02 0.00 0.00 58.31 55.50 1yto n LYS 105 Cb 0.23 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 33.84 1yto n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1yto n ASN 106 N -0.45 -3.33 -4.58 4.39 4.13 -0.48 -4.95 115.26 109.99 1yto n ASN 106 Ca 0.15 -0.60 -0.41 0.00 1.68 0.00 0.00 54.58 55.40 1yto n ASN 106 Cb 0.33 -5.07 -0.07 0.00 -1.54 0.00 0.00 39.78 33.42 1yto n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1yto s TRP 107 N -3.35 3.21 0.32 3.10 0.52 -1.24 -4.58 118.94 116.91 1yto s TRP 107 Ca 0.18 0.41 0.07 0.00 0.02 0.00 0.00 56.10 56.77 1yto s TRP 107 Cb -0.08 -2.89 -0.02 0.00 -1.15 0.00 0.00 33.47 29.32 1yto s TRP 107 CO 0.73 -0.46 0.32 -0.06 0.02 0.00 0.00 176.95 177.51 1yto s PHE 108 N 2.44 3.03 -0.02 -1.98 0.40 -1.26 -1.32 117.98 119.27 1yto s PHE 108 Ca 0.21 -0.23 -0.28 0.00 -0.60 0.00 0.00 56.93 56.03 1yto s PHE 108 Cb -0.15 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 1yto s PHE 108 CO 0.12 0.21 0.89 0.08 0.70 0.00 0.00 175.22 177.22 1yto s VAL 109 N -2.22 4.91 -0.11 -0.44 1.01 -0.29 -4.53 120.40 118.73 1yto s VAL 109 Ca 0.40 1.87 -0.24 0.00 0.00 0.00 0.00 61.98 64.01 1yto s VAL 109 Cb -0.07 -4.23 0.06 0.00 0.00 0.00 0.00 36.38 32.13 1yto s VAL 109 CO 0.28 0.20 0.58 -0.83 0.00 0.00 0.00 175.10 175.32 1yto s GLY 110 N 0.89 -0.45 -0.08 4.51 0.00 -1.26 -4.37 107.32 106.55 1yto s GLY 110 Ca 0.47 1.27 0.04 0.00 0.00 0.00 0.00 44.72 46.50 1yto s GLY 110 CO 0.25 0.99 -0.20 1.08 0.00 0.00 0.00 173.10 175.22 1yto s LEU 111 N -0.66 2.36 0.77 0.66 1.43 -0.85 -0.43 118.68 121.95 1yto s LEU 111 Ca -0.07 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 1yto s LEU 111 Cb -0.03 -1.47 0.05 0.00 0.03 0.00 0.00 46.19 44.77 1yto s LEU 111 CO 0.06 0.23 1.10 -0.54 0.23 0.00 0.00 176.35 177.42 1yto s LYS 112 N -0.05 2.33 0.47 1.70 1.02 0.14 -4.47 119.74 120.88 1yto s LYS 112 Ca -0.05 0.57 0.32 0.00 0.02 0.00 0.00 55.97 56.82 1yto s LYS 112 Cb -0.14 -1.95 1.61 0.00 -0.52 0.00 0.00 37.83 36.82 1yto s LYS 112 CO 0.05 -1.43 1.96 0.87 -0.92 0.00 0.00 175.35 175.88 1yto h LYS 113 N -0.95 0.00 -0.66 1.68 1.57 -1.88 -1.34 116.57 115.00 1yto h LYS 113 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1yto h LYS 113 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1yto h LYS 113 CO 0.61 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.76 1yto n ASN 114 N -2.67 4.41 0.00 0.86 0.23 -1.26 -4.91 115.26 111.92 1yto n ASN 114 Ca -0.01 -2.60 0.00 0.00 -0.53 0.00 0.00 54.58 51.44 1yto n ASN 114 Cb 0.12 -0.60 0.00 0.00 -2.08 0.00 0.00 39.78 37.22 1yto n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1yto n GLY 115 N 0.64 0.37 3.96 4.83 0.00 -0.50 -4.98 105.19 109.51 1yto n GLY 115 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 1yto n GLY 115 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yto s SER 116 N -2.17 6.33 0.56 1.61 1.04 -1.26 0.31 113.70 120.12 1yto s SER 116 Ca 0.00 0.12 -0.21 0.00 0.48 0.00 0.00 55.95 56.34 1yto s SER 116 Cb 0.00 -1.89 -0.04 0.00 0.10 0.00 0.00 66.02 64.19 1yto s SER 116 CO 0.00 -0.01 1.33 0.00 0.98 0.00 0.00 173.24 175.53 1yto s LYS 118 N -2.98 2.71 0.12 0.00 2.20 0.43 -4.62 119.74 117.60 1yto s LYS 118 Ca 0.73 -1.15 -0.35 0.00 -0.36 0.00 0.00 55.97 54.84 1yto s LYS 118 Cb -0.39 -3.61 -0.17 0.00 -1.51 0.00 0.00 37.83 32.15 1yto s LYS 118 CO 0.45 -0.70 1.15 -2.13 -0.36 0.00 0.00 175.35 173.76 1yto n ARG 119 N 4.91 0.87 -0.36 4.03 0.63 -1.26 -4.36 116.66 121.11 1yto n ARG 119 Ca -0.12 0.31 -0.02 0.00 -0.92 0.00 0.00 57.85 57.10 1yto n ARG 119 Cb 0.45 -1.82 0.03 0.00 0.45 0.00 0.00 32.46 31.58 1yto n ARG 119 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1yto h GLY 120 N 3.47 0.02 1.40 5.14 0.00 -0.76 0.96 103.07 113.30 1yto h GLY 120 Ca -0.45 0.52 0.08 0.00 0.00 0.00 0.00 47.33 47.49 1yto h GLY 120 CO 0.70 -0.19 0.23 -2.55 0.00 0.00 0.00 176.54 174.73 1yto h PRO 121 N -0.02 0.06 -0.00 4.80 0.11 -1.84 -0.30 132.00 134.80 1yto h PRO 121 Ca 0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1yto h PRO 121 Cb 0.59 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1yto h PRO 121 CO -0.95 0.04 -0.07 0.54 -0.21 0.00 0.00 178.00 177.35 1yto n ARG 122 N -4.46 0.44 -3.65 1.05 5.12 0.30 -4.85 116.66 110.62 1yto n ARG 122 Ca 0.04 -0.08 -0.22 0.00 -1.93 0.00 0.00 57.85 55.66 1yto n ARG 122 Cb 0.36 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.14 1yto n ARG 122 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1yto s THR 123 N -2.62 4.99 -0.21 0.55 -4.23 -0.12 -4.95 115.64 109.05 1yto s THR 123 Ca 0.26 -0.78 -0.34 0.00 -1.18 0.00 0.00 61.69 59.65 1yto s THR 123 Cb 0.20 -3.79 0.15 0.00 1.34 0.00 0.00 72.50 70.40 1yto s THR 123 CO 0.49 -0.39 1.23 -1.38 -0.54 0.00 0.00 174.62 174.03 1yto s HIS 124 N -2.15 -0.12 0.42 3.99 -3.43 -1.26 -4.81 115.29 107.91 1yto s HIS 124 Ca 0.38 0.12 -0.23 0.00 -0.80 0.00 0.00 55.06 54.53 1yto s HIS 124 Cb -0.09 0.50 -0.11 0.00 -1.43 0.00 0.00 32.58 31.45 1yto s HIS 124 CO 0.32 -0.17 0.80 0.66 -2.00 0.00 0.00 174.74 174.35 1yto n TYR 125 N 0.11 0.41 0.00 0.38 4.01 -1.26 -2.82 117.16 117.99 1yto n TYR 125 Ca -0.00 0.59 0.00 0.00 -0.16 0.00 0.00 57.90 58.33 1yto n TYR 125 Cb 0.58 -2.12 0.00 0.00 -0.31 0.00 0.00 39.34 37.49 1yto n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yto n GLY 126 N 1.47 1.81 3.87 2.72 0.00 -1.26 -5.07 105.19 108.73 1yto n GLY 126 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1yto n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yto s GLN 127 N -0.92 3.84 0.30 1.61 -0.21 -1.13 -4.97 119.66 118.18 1yto s GLN 127 Ca 0.00 0.35 0.14 0.00 0.02 0.00 0.00 55.36 55.87 1yto s GLN 127 Cb 0.00 -2.60 0.38 0.00 1.00 0.00 0.00 33.01 31.79 1yto s GLN 127 CO 0.00 0.28 1.60 0.87 -2.12 0.00 0.00 175.29 175.92 1yto h LYS 128 N 2.45 0.00 -0.44 2.91 1.79 -1.96 -3.25 116.57 118.07 1yto h LYS 128 Ca -0.47 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.12 1yto h LYS 128 Cb 1.17 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.80 1yto h LYS 128 CO 0.68 0.55 0.31 0.00 -1.08 0.00 0.00 179.45 179.91 1yto h ALA 129 N 1.45 2.37 -0.01 3.86 0.00 -1.93 -1.30 119.26 123.70 1yto h ALA 129 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1yto h ALA 129 Cb 1.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1yto h ALA 129 CO 0.07 -0.49 -0.34 0.44 0.00 0.00 0.00 179.25 178.93 1yto n ILE 130 N -4.42 0.00 -3.10 0.00 -5.35 -1.23 -2.01 119.36 103.26 1yto n ILE 130 Ca 0.07 -0.13 -0.41 0.00 -0.27 0.00 0.00 62.75 62.02 1yto n ILE 130 Cb 0.49 0.53 -0.06 0.00 -1.74 0.00 0.00 39.64 38.86 1yto n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1yto s LEU 131 N -2.57 4.08 0.19 7.28 1.43 -0.49 -4.45 118.68 124.15 1yto s LEU 131 Ca 0.22 0.75 0.10 0.00 -1.03 0.00 0.00 54.13 54.16 1yto s LEU 131 Cb 0.19 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 1yto s LEU 131 CO 0.56 -0.36 -0.19 -0.36 0.23 0.00 0.00 176.35 176.22 1yto s PHE 132 N 2.42 1.99 -0.10 0.29 0.40 -0.23 -0.43 117.98 122.32 1yto s PHE 132 Ca 0.27 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 56.17 1yto s PHE 132 Cb -0.16 -0.96 0.02 0.00 0.51 0.00 0.00 43.02 42.43 1yto s PHE 132 CO 0.09 0.43 -0.10 -1.17 0.70 0.00 0.00 175.22 175.17 1yto s LEU 133 N -2.86 1.41 -0.58 -0.37 2.96 0.12 -0.97 118.68 118.38 1yto s LEU 133 Ca 0.20 -0.33 -0.25 0.00 -0.22 0.00 0.00 54.13 53.53 1yto s LEU 133 Cb -0.06 -0.89 0.04 0.00 0.50 0.00 0.00 46.19 45.78 1yto s LEU 133 CO 0.09 -0.06 1.00 -2.16 -1.32 0.00 0.00 176.35 173.90 1yto s PRO 134 N 1.33 3.31 0.13 0.98 0.04 -1.26 -0.25 135.00 139.29 1yto s PRO 134 Ca -0.01 -0.29 0.02 0.00 0.04 0.00 0.00 61.00 60.76 1yto s PRO 134 Cb -0.14 -4.08 -0.04 0.00 0.04 0.00 0.00 34.50 30.28 1yto s PRO 134 CO -0.05 -1.61 0.24 -0.51 0.04 0.00 0.00 177.00 175.12 1yto s LEU 135 N 4.22 4.25 1.27 -3.56 2.01 0.20 -4.83 118.68 122.24 1yto s LEU 135 Ca 0.31 0.15 -0.19 0.00 0.01 0.00 0.00 54.13 54.41 1yto s LEU 135 Cb -0.12 -2.84 0.31 0.00 0.01 0.00 0.00 46.19 43.55 1yto s LEU 135 CO 0.18 0.08 1.02 -2.84 1.01 0.00 0.00 176.35 175.80 1yto s PRO 136 N -3.02 -1.73 0.00 1.29 0.02 -1.26 0.59 135.00 130.89 1yto s PRO 136 Ca 0.34 0.25 0.00 0.00 0.02 0.00 0.00 61.00 61.61 1yto s PRO 136 Cb -0.11 -1.51 0.00 0.00 0.02 0.00 0.00 34.50 32.90 1yto s PRO 136 CO 0.27 -4.11 0.00 0.28 -0.33 0.00 0.00 177.00 173.11