#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9r s VAL 2 N 0.00 3.92 0.46 3.17 0.11 -1.26 -0.58 120.40 126.22 2x9r s VAL 2 Ca 0.00 1.11 0.05 0.00 -2.93 0.00 0.00 61.98 60.22 2x9r s VAL 2 Cb 0.00 -3.72 -0.03 0.00 -1.53 0.00 0.00 36.38 31.10 2x9r s VAL 2 CO 0.00 -0.10 0.12 -0.54 -3.33 0.00 0.00 175.10 171.25 2x9r s LYS 3 N 3.73 2.16 -0.29 1.54 1.02 0.35 -4.11 119.74 124.13 2x9r s LYS 3 Ca 0.64 -2.10 0.02 0.00 0.02 0.00 0.00 55.97 54.55 2x9r s LYS 3 Cb -0.28 -1.78 0.08 0.00 -0.52 0.00 0.00 37.83 35.33 2x9r s LYS 3 CO 0.22 -0.25 0.01 0.42 -0.92 0.00 0.00 175.35 174.84 2x9r s ILE 4 N -2.73 1.70 0.30 2.17 1.09 -1.25 0.06 121.20 122.53 2x9r s ILE 4 Ca 0.28 -1.70 0.04 0.00 -1.10 0.00 0.00 60.65 58.17 2x9r s ILE 4 Cb 0.04 -2.13 -0.03 0.00 -1.06 0.00 0.00 42.46 39.28 2x9r s ILE 4 CO 0.15 -0.41 0.22 0.00 -0.10 0.00 0.00 174.94 174.80 2x9r s ARG 5 N 1.25 1.60 -0.19 2.79 1.70 0.89 -0.72 118.95 126.27 2x9r s ARG 5 Ca 0.04 -1.91 -0.17 0.00 -0.47 0.00 0.00 55.73 53.22 2x9r s ARG 5 Cb -0.19 0.21 -0.04 0.00 -0.57 0.00 0.00 34.95 34.36 2x9r s ARG 5 CO -0.11 -0.55 0.44 -0.51 -1.08 0.00 0.00 175.30 173.49 2x9r s LEU 6 N -3.33 4.17 -0.23 -1.89 1.02 -1.26 -0.52 118.68 116.64 2x9r s LEU 6 Ca 0.39 0.60 -0.08 0.00 0.02 0.00 0.00 54.13 55.05 2x9r s LEU 6 Cb 0.04 -2.58 -0.04 0.00 0.02 0.00 0.00 46.19 43.63 2x9r s LEU 6 CO 0.22 -0.09 0.09 0.00 0.02 0.00 0.00 176.35 176.59 2x9r s ALA 7 N 1.26 3.32 0.46 4.21 0.00 -1.15 -4.81 121.76 125.05 2x9r s ALA 7 Ca 0.21 -0.99 -0.21 0.00 0.00 0.00 0.00 51.96 50.96 2x9r s ALA 7 Cb -0.15 -2.11 -0.08 0.00 0.00 0.00 0.00 23.12 20.77 2x9r s ALA 7 CO 0.09 -0.28 1.05 0.50 0.00 0.00 0.00 175.76 177.12 2x9r s ARG 8 N 1.23 3.89 0.00 0.00 3.52 -1.26 -0.51 118.95 125.82 2x9r s ARG 8 Ca 0.05 1.44 0.00 0.00 -0.13 0.00 0.00 55.73 57.09 2x9r s ARG 8 Cb -0.14 -2.24 0.00 0.00 -1.56 0.00 0.00 34.95 31.00 2x9r s ARG 8 CO 0.04 -0.37 0.00 1.19 -0.81 0.00 0.00 175.30 175.35 2x9r n PHE 9 N -0.68 0.00 -4.51 5.12 3.72 -0.63 -4.81 117.46 115.67 2x9r n PHE 9 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 2x9r n PHE 9 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 2x9r n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2x9r n GLY 10 N 0.00 0.94 0.00 1.37 0.00 -1.26 -4.03 105.19 102.21 2x9r n GLY 10 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2x9r n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x9r n SER 11 N -3.10 1.20 -4.75 1.61 7.64 -0.58 -4.97 113.62 110.67 2x9r n SER 11 Ca 0.00 -0.58 -0.41 0.00 1.01 0.00 0.00 58.87 58.89 2x9r n SER 11 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2x9r n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2x9r s LYS 12 N -0.40 4.48 0.00 1.43 2.20 -1.26 -2.63 119.74 123.55 2x9r s LYS 12 Ca 0.00 1.98 0.00 0.00 -0.36 0.00 0.00 55.97 57.59 2x9r s LYS 12 Cb 0.00 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 2x9r s LYS 12 CO 0.00 -0.06 0.00 0.72 -0.36 0.00 0.00 175.35 175.65 2x9r n HIS 13 N 1.70 0.00 -3.46 4.03 8.25 -1.26 -4.85 115.22 119.63 2x9r n HIS 13 Ca 0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.05 2x9r n HIS 13 Cb 0.43 -0.12 -0.04 0.00 1.12 0.00 0.00 29.99 31.39 2x9r n HIS 13 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2x9r s ASN 14 N -0.46 6.45 0.64 0.41 2.47 -1.08 -5.07 114.94 118.31 2x9r s ASN 14 Ca 0.00 -3.09 -0.14 0.00 0.42 0.00 0.00 52.86 50.05 2x9r s ASN 14 Cb 0.00 -2.09 -0.01 0.00 -1.45 0.00 0.00 41.25 37.70 2x9r s ASN 14 CO 0.00 -0.41 1.07 -2.84 -3.72 0.00 0.00 177.10 171.20 2x9r s PRO 15 N -0.43 3.04 -0.39 0.43 0.02 -1.26 -1.53 135.00 134.87 2x9r s PRO 15 Ca 0.22 1.19 0.01 0.00 0.02 0.00 0.00 61.00 62.44 2x9r s PRO 15 Cb -0.12 -1.99 0.19 0.00 0.02 0.00 0.00 34.50 32.59 2x9r s PRO 15 CO -0.08 -1.04 0.81 -1.01 -0.33 0.00 0.00 177.00 175.36 2x9r s HIS 16 N -2.59 -1.18 1.04 6.54 3.76 -1.26 -4.56 115.29 117.04 2x9r s HIS 16 Ca 0.63 0.05 -0.17 0.00 -0.15 0.00 0.00 55.06 55.42 2x9r s HIS 16 Cb -0.17 0.22 0.23 0.00 1.11 0.00 0.00 32.58 33.97 2x9r s HIS 16 CO 0.43 -0.83 1.27 0.71 -0.85 0.00 0.00 174.74 175.47 2x9r s TYR 17 N 1.68 1.24 -0.26 1.40 1.51 -1.19 -1.60 117.35 120.12 2x9r s TYR 17 Ca 0.18 0.36 -0.04 0.00 -1.01 0.00 0.00 57.07 56.56 2x9r s TYR 17 Cb 0.00 -3.95 0.09 0.00 -0.11 0.00 0.00 41.96 38.00 2x9r s TYR 17 CO -0.09 -3.03 0.14 1.03 -1.11 0.00 0.00 175.55 172.48 2x9r s ARG 18 N -5.76 0.17 -0.22 -0.62 0.52 0.33 -2.92 118.95 110.45 2x9r s ARG 18 Ca 0.73 -0.39 -0.37 0.00 -0.52 0.00 0.00 55.73 55.19 2x9r s ARG 18 Cb -0.05 -1.27 -0.13 0.00 0.52 0.00 0.00 34.95 34.02 2x9r s ARG 18 CO 0.54 -0.94 1.88 -0.89 0.02 0.00 0.00 175.30 175.91 2x9r n ILE 19 N 5.26 0.39 -3.69 1.52 -0.00 0.22 -2.95 119.36 120.12 2x9r n ILE 19 Ca -0.06 -0.11 -0.15 0.00 -0.00 0.00 0.00 62.75 62.43 2x9r n ILE 19 Cb 0.44 -1.55 -0.08 0.00 -0.00 0.00 0.00 39.64 38.45 2x9r n ILE 19 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2x9r s VAL 20 N 4.45 0.04 -0.15 1.39 0.11 0.32 -2.56 120.40 124.00 2x9r s VAL 20 Ca 0.98 -0.34 -0.14 0.00 -2.93 0.00 0.00 61.98 59.55 2x9r s VAL 20 Cb -0.89 -0.74 -0.05 0.00 -1.53 0.00 0.00 36.38 33.18 2x9r s VAL 20 CO 0.58 -0.19 0.31 0.54 -3.33 0.00 0.00 175.10 173.01 2x9r s VAL 21 N -1.33 5.29 0.11 2.04 0.11 -0.81 -0.08 120.40 125.73 2x9r s VAL 21 Ca -0.13 0.58 -0.25 0.00 -2.93 0.00 0.00 61.98 59.25 2x9r s VAL 21 Cb -0.04 -3.64 0.07 0.00 -1.53 0.00 0.00 36.38 31.25 2x9r s VAL 21 CO 0.06 0.40 0.79 0.28 -3.33 0.00 0.00 175.10 173.30 2x9r s THR 22 N 0.33 0.00 0.17 5.04 -1.32 0.11 -0.22 115.64 119.74 2x9r s THR 22 Ca 0.17 -0.26 -0.30 0.00 -1.21 0.00 0.00 61.69 60.09 2x9r s THR 22 Cb -0.13 -1.32 -0.08 0.00 -1.51 0.00 0.00 72.50 69.46 2x9r s THR 22 CO 0.05 0.00 1.27 -0.62 -2.21 0.00 0.00 174.62 173.10 2x9r s ASP 23 N -2.71 6.98 0.32 8.08 -1.08 -1.26 0.13 116.67 127.13 2x9r s ASP 23 Ca 0.06 2.28 0.11 0.00 -0.52 0.00 0.00 52.55 54.48 2x9r s ASP 23 Cb -0.02 -2.60 0.93 0.00 -1.46 0.00 0.00 42.92 39.77 2x9r s ASP 23 CO -0.06 -0.48 1.72 0.00 0.52 0.00 0.00 175.17 176.87 2x9r h ALA 24 N 5.69 1.83 0.00 3.66 0.00 -1.19 -1.19 119.26 128.07 2x9r h ALA 24 Ca -0.44 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2x9r h ALA 24 Cb 1.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2x9r h ALA 24 CO 0.78 -0.33 0.00 0.54 0.00 0.00 0.00 179.25 180.24 2x9r n ARG 25 N -4.91 0.64 -1.33 0.00 1.74 -1.26 -4.77 116.66 106.78 2x9r n ARG 25 Ca 0.28 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.16 2x9r n ARG 25 Cb 0.79 -1.30 0.14 0.00 -1.02 0.00 0.00 32.46 31.07 2x9r n ARG 25 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2x9r n ARG 26 N -0.80 -0.83 -3.82 5.56 5.12 -0.45 -5.08 116.66 116.35 2x9r n ARG 26 Ca 0.09 -1.42 -0.21 0.00 -1.93 0.00 0.00 57.85 54.38 2x9r n ARG 26 Cb 0.04 -0.91 -0.03 0.00 -1.16 0.00 0.00 32.46 30.41 2x9r n ARG 26 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2x9r s LYS 27 N -4.94 2.99 0.04 5.56 -2.85 -1.26 -5.00 119.74 114.27 2x9r s LYS 27 Ca 0.51 -1.08 -0.14 0.00 -1.00 0.00 0.00 55.97 54.26 2x9r s LYS 27 Cb -0.01 -2.65 -0.06 0.00 -2.06 0.00 0.00 37.83 33.04 2x9r s LYS 27 CO 0.36 0.21 1.22 -0.09 0.10 0.00 0.00 175.35 177.15 2x9r h ARG 28 N 1.20 -0.32 0.00 1.78 2.43 -1.96 -1.65 114.38 115.85 2x9r h ARG 28 Ca -0.47 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2x9r h ARG 28 Cb 1.25 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 2x9r h ARG 28 CO 0.58 -0.21 0.00 -0.25 -1.51 0.00 0.00 179.97 178.58 2x9r n ASP 29 N -3.60 0.00 -3.12 -3.80 10.43 -1.26 -4.70 116.55 110.50 2x9r n ASP 29 Ca -0.04 -1.13 -0.17 0.00 2.57 0.00 0.00 54.79 56.02 2x9r n ASP 29 Cb 0.17 0.00 0.16 0.00 1.84 0.00 0.00 41.12 43.29 2x9r n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2x9r n GLY 30 N 0.38 -3.83 3.59 0.44 0.00 -0.62 -4.90 105.19 100.24 2x9r n GLY 30 Ca 0.09 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 2x9r n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x9r s LYS 31 N -4.12 3.62 0.59 1.61 2.20 -1.26 -4.95 119.74 117.41 2x9r s LYS 31 Ca 0.37 0.59 -0.08 0.00 -0.36 0.00 0.00 55.97 56.48 2x9r s LYS 31 Cb -0.07 -3.97 -0.02 0.00 -1.51 0.00 0.00 37.83 32.26 2x9r s LYS 31 CO 0.31 -1.53 0.95 1.52 -0.36 0.00 0.00 175.35 176.24 2x9r s TYR 32 N 4.91 3.50 0.02 4.03 1.13 -1.26 -4.89 117.35 124.79 2x9r s TYR 32 Ca 0.51 1.00 -0.18 0.00 -1.41 0.00 0.00 57.07 56.99 2x9r s TYR 32 Cb -0.09 -2.65 -0.22 0.00 -1.10 0.00 0.00 41.96 37.89 2x9r s TYR 32 CO 0.31 -0.67 1.14 0.82 -2.51 0.00 0.00 175.55 174.64 2x9r h ILE 33 N -0.19 1.39 -1.68 -3.49 1.08 -0.98 -3.48 117.51 110.17 2x9r h ILE 33 Ca -0.45 -2.06 0.04 0.00 -0.39 0.00 0.00 64.86 62.00 2x9r h ILE 33 Cb 1.22 2.49 -0.25 0.00 -3.07 0.00 0.00 36.82 37.20 2x9r h ILE 33 CO 0.62 0.61 0.40 -0.70 -0.69 0.00 0.00 178.15 178.39 2x9r s GLU 34 N -3.31 0.59 -0.04 2.37 2.12 -1.02 -5.03 118.70 114.38 2x9r s GLU 34 Ca -0.13 0.61 -0.17 0.00 0.36 0.00 0.00 54.97 55.65 2x9r s GLU 34 Cb 0.04 0.29 -0.05 0.00 0.26 0.00 0.00 34.13 34.67 2x9r s GLU 34 CO 0.84 -0.09 0.46 0.21 -0.54 0.00 0.00 175.26 176.14 2x9r s LYS 35 N 0.07 4.13 0.00 4.30 2.20 -1.26 -1.92 119.74 127.26 2x9r s LYS 35 Ca 0.02 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 56.10 2x9r s LYS 35 Cb -0.04 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 2x9r s LYS 35 CO -0.04 0.47 0.25 0.44 -0.36 0.00 0.00 175.35 176.12 2x9r n ILE 36 N 2.53 0.00 0.00 5.43 -5.35 -1.09 -4.99 119.36 115.89 2x9r n ILE 36 Ca -0.11 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 2x9r n ILE 36 Cb 0.52 1.22 0.00 0.00 -1.74 0.00 0.00 39.64 39.64 2x9r n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x9r n GLY 37 N 0.19 2.03 3.91 3.28 0.00 -1.06 -0.76 105.19 112.79 2x9r n GLY 37 Ca 0.00 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.22 2x9r n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2x9r s TYR 38 N -2.00 1.96 0.02 1.61 -0.85 -1.14 0.71 117.35 117.67 2x9r s TYR 38 Ca 0.00 -0.70 -0.28 0.00 -0.52 0.00 0.00 57.07 55.57 2x9r s TYR 38 Cb 0.00 -2.05 0.08 0.00 0.38 0.00 0.00 41.96 40.37 2x9r s TYR 38 CO 0.00 -0.46 0.71 -0.47 -1.52 0.00 0.00 175.55 173.81 2x9r s TYR 39 N -2.65 -0.54 -0.23 -3.49 5.04 -1.15 -3.44 117.35 110.88 2x9r s TYR 39 Ca 0.43 0.65 -0.04 0.00 -2.44 0.00 0.00 57.07 55.68 2x9r s TYR 39 Cb -0.03 0.49 0.08 0.00 0.35 0.00 0.00 41.96 42.85 2x9r s TYR 39 CO 0.26 -0.66 0.10 0.34 -1.34 0.00 0.00 175.55 174.24 2x9r s ASP 40 N -1.94 3.08 0.00 4.32 3.68 -1.25 -3.15 116.67 121.40 2x9r s ASP 40 Ca -0.03 -1.02 0.07 0.00 2.13 0.00 0.00 52.55 53.70 2x9r s ASP 40 Cb -0.01 -0.42 0.40 0.00 -1.45 0.00 0.00 42.92 41.45 2x9r s ASP 40 CO -0.02 -0.38 0.94 -0.81 0.13 0.00 0.00 175.17 175.03 2x9r n PRO 41 N 5.18 0.19 -0.00 4.34 -0.04 -1.26 -2.17 135.00 141.23 2x9r n PRO 41 Ca -0.06 0.07 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 2x9r n PRO 41 Cb 0.45 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 2x9r n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2x9r n ARG 42 N -1.08 3.05 -2.69 0.54 1.74 -1.26 -5.02 116.66 111.94 2x9r n ARG 42 Ca 0.05 -0.02 -0.19 0.00 -0.77 0.00 0.00 57.85 56.91 2x9r n ARG 42 Cb 0.03 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 30.57 2x9r n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2x9r n LYS 43 N -1.37 -2.88 0.00 5.56 4.01 -0.92 -4.80 118.16 117.76 2x9r n LYS 43 Ca 0.00 0.81 0.00 0.00 -0.51 0.00 0.00 58.31 58.61 2x9r n LYS 43 Cb 0.10 -5.52 0.00 0.00 -0.51 0.00 0.00 35.03 29.10 2x9r n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2x9r n THR 44 N -3.97 0.01 -3.53 -0.18 -2.24 -1.26 -4.61 114.28 98.49 2x9r n THR 44 Ca -0.16 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 2x9r n THR 44 Cb 0.63 -0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 68.59 2x9r n THR 44 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2x9r s THR 45 N -0.97 0.00 -2.00 4.28 2.01 -1.26 -5.02 115.64 112.68 2x9r s THR 45 Ca 0.00 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.01 2x9r s THR 45 Cb 0.00 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.53 2x9r s THR 45 CO 0.00 0.00 0.66 -0.81 -0.69 0.00 0.00 174.62 173.78 2x9r n PRO 46 N 0.43 0.63 -1.10 4.92 -0.04 -1.26 -2.92 135.00 135.65 2x9r n PRO 46 Ca -0.12 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.26 2x9r n PRO 46 Cb 0.59 -1.02 0.15 0.00 -0.04 0.00 0.00 33.50 33.18 2x9r n PRO 46 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2x9r n ASP 47 N -0.52 3.10 -1.63 3.54 8.00 -1.26 -4.85 116.55 122.94 2x9r n ASP 47 Ca 0.00 -3.83 0.00 0.00 0.71 0.00 0.00 54.79 51.67 2x9r n ASP 47 Cb 0.00 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.58 2x9r n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2x9r n TRP 48 N -0.99 0.00 0.00 1.24 4.27 -1.15 -4.72 117.44 116.09 2x9r n TRP 48 Ca 0.32 -0.70 0.00 0.00 -3.89 0.00 0.00 57.50 53.23 2x9r n TRP 48 Cb 0.86 -0.42 0.00 0.00 -1.36 0.00 0.00 31.31 30.39 2x9r n TRP 48 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2x9r n LEU 49 N 1.62 0.00 0.00 5.67 7.94 -1.26 -3.89 117.00 127.08 2x9r n LEU 49 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2x9r n LEU 49 Cb 0.36 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.31 2x9r n LEU 49 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 177.45 2x9r n LYS 50 N -0.90 0.00 -3.80 1.96 0.00 -1.22 -4.91 118.16 109.29 2x9r n LYS 50 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.01 2x9r n LYS 50 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 2x9r n LYS 50 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2x9r s VAL 51 N 0.00 1.68 -0.74 3.15 1.01 -1.26 -2.87 120.40 121.37 2x9r s VAL 51 Ca 0.00 -2.51 -0.11 0.00 0.00 0.00 0.00 61.98 59.36 2x9r s VAL 51 Cb 0.00 -2.19 -0.22 0.00 0.00 0.00 0.00 36.38 33.96 2x9r s VAL 51 CO 0.00 -0.80 1.92 -0.67 0.00 0.00 0.00 175.10 175.55 2x9r n ASP 52 N 3.74 -0.87 0.17 3.32 4.64 0.06 -4.69 116.55 122.92 2x9r n ASP 52 Ca 0.06 -1.04 0.16 0.00 -1.38 0.00 0.00 54.79 52.59 2x9r n ASP 52 Cb 0.36 -0.82 0.77 0.00 -1.04 0.00 0.00 41.12 40.39 2x9r n ASP 52 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 2x9r h VAL 53 N 7.09 0.63 -0.53 5.18 -1.51 -1.93 -0.70 116.25 124.49 2x9r h VAL 53 Ca 0.02 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.59 2x9r h VAL 53 Cb 1.07 0.85 -0.08 0.00 -2.13 0.00 0.00 31.29 31.00 2x9r h VAL 53 CO 1.34 0.00 0.09 -0.33 -1.23 0.00 0.00 177.57 177.44 2x9r h GLU 54 N 0.00 0.22 0.00 5.19 4.39 -1.98 -0.16 114.58 122.24 2x9r h GLU 54 Ca 0.11 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 2x9r h GLU 54 Cb 0.50 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2x9r h GLU 54 CO -0.00 0.15 -0.01 0.00 -1.16 0.00 0.00 179.01 177.98 2x9r h ARG 55 N 0.23 0.00 -0.99 2.33 2.47 -1.55 -3.28 114.38 113.58 2x9r h ARG 55 Ca 0.27 0.00 0.25 0.00 -1.26 0.00 0.00 59.98 59.24 2x9r h ARG 55 Cb 0.38 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 28.58 2x9r h ARG 55 CO -0.36 0.44 0.57 0.00 0.56 0.00 0.00 179.97 181.17 2x9r h ALA 56 N -0.57 1.78 0.00 0.04 0.00 -1.20 1.03 119.26 120.34 2x9r h ALA 56 Ca -0.00 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2x9r h ALA 56 Cb 0.44 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2x9r h ALA 56 CO -0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 179.25 178.80 2x9r h ARG 57 N 0.53 0.00 0.20 0.00 3.08 -1.16 -3.16 114.38 113.87 2x9r h ARG 57 Ca 0.65 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.69 2x9r h ARG 57 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2x9r h ARG 57 CO -0.50 0.14 -0.10 -0.92 -1.07 0.00 0.00 179.97 177.52 2x9r h TYR 58 N 0.00 -0.25 0.00 3.04 -0.00 0.10 -3.10 116.97 116.76 2x9r h TYR 58 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.72 2x9r h TYR 58 Cb 0.61 0.08 0.00 0.00 -0.00 0.00 0.00 36.73 37.42 2x9r h TYR 58 CO 0.00 -0.16 0.44 0.91 -0.00 0.00 0.00 178.16 179.36 2x9r n TRP 59 N -3.40 0.31 0.04 -3.82 5.03 -0.81 0.13 117.44 114.93 2x9r n TRP 59 Ca -0.03 0.16 0.01 0.00 3.03 0.00 0.00 57.50 60.67 2x9r n TRP 59 Cb 0.11 -0.46 -0.07 0.00 -1.03 0.00 0.00 31.31 29.85 2x9r n TRP 59 CO 0.00 0.00 0.00 -0.07 -0.03 0.00 0.00 177.69 177.59 2x9r h LEU 60 N 0.00 0.00 -0.73 -0.99 3.38 -1.55 -3.27 115.31 112.15 2x9r h LEU 60 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2x9r h LEU 60 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2x9r h LEU 60 CO 0.00 0.52 0.00 0.77 0.09 0.00 0.00 178.44 179.82 2x9r h SER 61 N 0.00 0.00 -0.15 -0.43 4.64 0.11 -2.67 113.55 115.04 2x9r h SER 61 Ca -0.14 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.12 2x9r h SER 61 Cb 1.52 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.58 2x9r h SER 61 CO 0.04 0.00 -0.19 1.33 -0.87 0.00 0.00 176.83 177.14 2x9r n VAL 62 N -2.55 2.27 -1.62 0.95 0.24 -1.19 -5.06 118.33 111.37 2x9r n VAL 62 Ca 0.02 -2.71 0.00 0.00 -2.04 0.00 0.00 64.34 59.62 2x9r n VAL 62 Cb 0.31 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 2x9r n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2x9r n GLY 63 N -1.11 -4.87 2.32 7.63 0.00 -1.01 -5.05 105.19 103.11 2x9r n GLY 63 Ca 0.23 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 2x9r n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9r n ALA 64 N 0.83 0.44 0.00 4.61 0.00 -1.23 -4.81 120.51 120.35 2x9r n ALA 64 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2x9r n ALA 64 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2x9r n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2x9r n GLN 65 N -0.80 0.00 -2.38 0.00 1.13 -1.26 -3.91 117.38 110.16 2x9r n GLN 65 Ca -0.12 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.64 2x9r n GLN 65 Cb 0.73 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 31.07 2x9r n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2x9r s PRO 66 N 0.00 3.69 0.83 -1.09 0.04 -1.26 -4.06 135.00 133.15 2x9r s PRO 66 Ca 0.00 0.58 -0.14 0.00 0.04 0.00 0.00 61.00 61.48 2x9r s PRO 66 Cb 0.00 -2.24 0.04 0.00 0.04 0.00 0.00 34.50 32.34 2x9r s PRO 66 CO 0.00 -0.30 0.77 2.41 0.04 0.00 0.00 177.00 179.92 2x9r n THR 67 N -2.09 1.27 0.13 1.26 -1.04 0.11 -4.76 114.28 109.16 2x9r n THR 67 Ca 0.04 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.05 61.69 2x9r n THR 67 Cb 0.54 -0.89 -0.07 0.00 -1.82 0.00 0.00 70.33 68.10 2x9r n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2x9r h ASP 68 N -0.99 -0.33 0.42 8.00 3.32 -1.96 0.12 116.42 125.00 2x9r h ASP 68 Ca -0.45 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.39 2x9r h ASP 68 Cb 1.31 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.94 2x9r h ASP 68 CO 0.41 0.13 0.00 0.35 -1.72 0.00 0.00 179.24 178.42 2x9r n THR 69 N -5.06 1.13 -0.02 0.35 -2.24 -1.26 -1.44 114.28 105.75 2x9r n THR 69 Ca -0.08 0.34 -0.16 0.00 -2.27 0.00 0.00 64.05 61.88 2x9r n THR 69 Cb 0.26 -1.21 -0.14 0.00 -2.10 0.00 0.00 70.33 67.15 2x9r n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2x9r n ALA 70 N -1.60 1.18 -0.31 6.98 0.00 -1.18 -3.86 120.51 121.73 2x9r n ALA 70 Ca 0.02 -0.72 0.07 0.00 0.00 0.00 0.00 53.44 52.80 2x9r n ALA 70 Cb 0.14 -0.69 0.22 0.00 0.00 0.00 0.00 19.45 19.12 2x9r n ALA 70 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2x9r h ARG 71 N 0.04 0.71 0.32 0.00 2.43 0.42 -1.84 114.38 116.45 2x9r h ARG 71 Ca -0.39 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.73 2x9r h ARG 71 Cb 2.03 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 31.40 2x9r h ARG 71 CO 0.07 0.47 -0.34 -0.09 -1.51 0.00 0.00 179.97 178.57 2x9r h ARG 72 N 0.73 -0.65 0.00 0.20 2.43 -1.63 -0.61 114.38 114.85 2x9r h ARG 72 Ca 0.46 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 2x9r h ARG 72 Cb 0.58 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2x9r h ARG 72 CO -0.32 -0.43 0.23 1.28 -1.51 0.00 0.00 179.97 179.22 2x9r n LEU 73 N -4.46 0.06 -0.10 3.80 4.77 -0.74 -0.37 117.00 119.95 2x9r n LEU 73 Ca -0.08 0.34 -0.23 0.00 -0.03 0.00 0.00 56.01 56.01 2x9r n LEU 73 Cb 0.31 -0.33 -0.11 0.00 -2.33 0.00 0.00 43.42 40.96 2x9r n LEU 73 CO 0.17 -0.36 -0.68 0.18 -1.33 0.00 0.00 177.39 175.38 2x9r n LEU 74 N -1.43 1.93 0.25 2.23 4.77 -0.36 -3.30 117.00 121.08 2x9r n LEU 74 Ca -0.00 0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 56.21 2x9r n LEU 74 Cb 0.23 -0.96 -0.08 0.00 -2.33 0.00 0.00 43.42 40.29 2x9r n LEU 74 CO 0.01 0.36 0.71 -0.09 -1.33 0.00 0.00 177.39 177.05 2x9r h ARG 75 N -0.93 -0.60 0.00 3.23 2.43 0.59 0.54 114.38 119.65 2x9r h ARG 75 Ca -0.41 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2x9r h ARG 75 Cb 1.40 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.09 2x9r h ARG 75 CO -0.22 -0.40 0.04 0.94 -1.51 0.00 0.00 179.97 178.81 2x9r n GLN 76 N -5.38 0.00 -0.17 0.20 7.27 0.38 0.25 117.38 119.93 2x9r n GLN 76 Ca -0.11 0.41 0.06 0.00 0.07 0.00 0.00 57.00 57.44 2x9r n GLN 76 Cb 0.28 -1.54 0.16 0.00 2.41 0.00 0.00 30.24 31.55 2x9r n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2x9r n ALA 77 N -1.41 2.23 -3.25 1.69 0.00 0.06 -5.00 120.51 114.84 2x9r n ALA 77 Ca 0.00 -1.09 -0.15 0.00 0.00 0.00 0.00 53.44 52.20 2x9r n ALA 77 Cb 0.04 -0.48 0.07 0.00 0.00 0.00 0.00 19.45 19.08 2x9r n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9r n GLY 78 N 0.64 -1.14 0.00 0.00 0.00 0.69 -4.90 105.19 100.48 2x9r n GLY 78 Ca 0.12 0.57 0.07 0.00 0.00 0.00 0.00 46.02 46.78 2x9r n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2x9r n VAL 79 N -3.25 0.00 -0.11 1.61 0.31 -0.66 -4.64 118.33 111.59 2x9r n VAL 79 Ca -0.08 -0.22 -0.14 0.00 -0.01 0.00 0.00 64.34 63.89 2x9r n VAL 79 Cb 0.62 0.74 -0.11 0.00 -0.91 0.00 0.00 33.84 34.18 2x9r n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2x9r n PHE 80 N -1.53 0.00 -1.38 3.52 3.01 -1.26 -4.93 117.46 114.89 2x9r n PHE 80 Ca 0.01 0.00 -0.53 0.00 1.01 0.00 0.00 57.45 57.94 2x9r n PHE 80 Cb 0.26 -0.85 -0.09 0.00 -0.01 0.00 0.00 39.48 38.78 2x9r n PHE 80 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2x9r n ARG 81 N -3.06 0.66 0.00 -1.08 0.63 -1.26 -4.80 116.66 107.75 2x9r n ARG 81 Ca -0.37 0.17 0.13 0.00 -0.92 0.00 0.00 57.85 56.86 2x9r n ARG 81 Cb 0.94 -2.11 0.39 0.00 0.45 0.00 0.00 32.46 32.14 2x9r n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2x9r n GLN 82 N 7.99 1.04 0.00 -0.14 0.00 -1.26 -4.96 117.38 120.04 2x9r n GLN 82 Ca 0.47 -0.62 0.00 0.00 0.00 0.00 0.00 57.00 56.85 2x9r n GLN 82 Cb 0.13 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.89 2x9r n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2x9r n GLU 83 N -0.44 0.00 0.00 2.61 -0.58 -1.26 -5.29 120.64 115.68 2x9r n GLU 83 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2x9r n GLU 83 Cb 0.36 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.23 2x9r n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65