#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9t s VAL 2 N 0.00 3.86 0.46 3.17 0.11 -1.26 -0.65 120.40 126.09 2x9t s VAL 2 Ca 0.00 1.08 0.05 0.00 -2.93 0.00 0.00 61.98 60.19 2x9t s VAL 2 Cb 0.00 -3.70 -0.04 0.00 -1.53 0.00 0.00 36.38 31.11 2x9t s VAL 2 CO 0.00 -0.08 0.11 -0.54 -3.33 0.00 0.00 175.10 171.26 2x9t s LYS 3 N 3.57 2.15 -0.29 1.54 1.02 0.33 -4.10 119.74 123.96 2x9t s LYS 3 Ca 0.65 -2.09 0.02 0.00 0.02 0.00 0.00 55.97 54.56 2x9t s LYS 3 Cb -0.29 -1.78 0.08 0.00 -0.52 0.00 0.00 37.83 35.33 2x9t s LYS 3 CO 0.23 -0.23 0.02 0.42 -0.92 0.00 0.00 175.35 174.87 2x9t s ILE 4 N -2.73 1.65 0.27 2.17 1.09 -1.25 0.04 121.20 122.45 2x9t s ILE 4 Ca 0.29 -1.68 0.04 0.00 -1.10 0.00 0.00 60.65 58.20 2x9t s ILE 4 Cb 0.04 -2.10 -0.04 0.00 -1.06 0.00 0.00 42.46 39.31 2x9t s ILE 4 CO 0.16 -0.42 0.21 0.00 -0.10 0.00 0.00 174.94 174.79 2x9t s ARG 5 N 1.27 1.51 -0.19 2.79 1.70 0.98 -0.84 118.95 126.16 2x9t s ARG 5 Ca 0.04 -1.85 -0.18 0.00 -0.47 0.00 0.00 55.73 53.27 2x9t s ARG 5 Cb -0.19 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.42 2x9t s ARG 5 CO -0.12 -0.52 0.48 -0.51 -1.08 0.00 0.00 175.30 173.55 2x9t s LEU 6 N -3.29 4.16 -0.24 -1.89 1.02 -1.26 -0.59 118.68 116.59 2x9t s LEU 6 Ca 0.40 0.64 -0.09 0.00 0.02 0.00 0.00 54.13 55.10 2x9t s LEU 6 Cb 0.05 -2.65 -0.04 0.00 0.02 0.00 0.00 46.19 43.57 2x9t s LEU 6 CO 0.20 -0.13 0.11 0.00 0.02 0.00 0.00 176.35 176.55 2x9t s ALA 7 N 1.43 3.35 0.48 4.21 0.00 -1.15 -4.81 121.76 125.28 2x9t s ALA 7 Ca 0.23 -1.02 -0.21 0.00 0.00 0.00 0.00 51.96 50.96 2x9t s ALA 7 Cb -0.15 -2.18 -0.08 0.00 0.00 0.00 0.00 23.12 20.71 2x9t s ALA 7 CO 0.09 -0.34 1.07 0.50 0.00 0.00 0.00 175.76 177.08 2x9t s ARG 8 N 1.35 3.77 0.00 0.00 3.52 -1.26 -0.52 118.95 125.81 2x9t s ARG 8 Ca 0.06 1.48 0.00 0.00 -0.13 0.00 0.00 55.73 57.14 2x9t s ARG 8 Cb -0.15 -2.18 0.00 0.00 -1.56 0.00 0.00 34.95 31.06 2x9t s ARG 8 CO 0.05 -0.48 0.00 1.19 -0.81 0.00 0.00 175.30 175.25 2x9t n PHE 9 N -0.83 0.00 -4.24 5.12 3.72 -0.69 -4.81 117.46 115.73 2x9t n PHE 9 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 2x9t n PHE 9 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 2x9t n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2x9t n GLY 10 N 0.00 0.91 0.00 1.37 0.00 -1.26 -4.08 105.19 102.14 2x9t n GLY 10 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2x9t n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2x9t n SER 11 N -3.15 1.05 -4.75 1.61 7.64 -0.63 -4.97 113.62 110.41 2x9t n SER 11 Ca 0.00 -0.53 -0.41 0.00 1.01 0.00 0.00 58.87 58.95 2x9t n SER 11 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2x9t n SER 11 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2x9t s LYS 12 N -0.13 4.52 0.00 1.43 2.20 -1.26 -2.78 119.74 123.73 2x9t s LYS 12 Ca 0.00 1.93 0.00 0.00 -0.36 0.00 0.00 55.97 57.54 2x9t s LYS 12 Cb 0.00 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 2x9t s LYS 12 CO 0.00 0.01 0.00 0.72 -0.36 0.00 0.00 175.35 175.72 2x9t n HIS 13 N 1.59 0.00 -3.42 4.03 8.25 -1.26 -4.84 115.22 119.57 2x9t n HIS 13 Ca 0.01 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.03 2x9t n HIS 13 Cb 0.44 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.43 2x9t n HIS 13 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2x9t s ASN 14 N -0.35 6.66 0.68 0.41 2.47 -1.12 -5.07 114.94 118.63 2x9t s ASN 14 Ca 0.00 -3.14 -0.13 0.00 0.42 0.00 0.00 52.86 50.01 2x9t s ASN 14 Cb 0.00 -2.13 0.01 0.00 -1.45 0.00 0.00 41.25 37.68 2x9t s ASN 14 CO 0.00 -0.40 1.07 -2.84 -3.72 0.00 0.00 177.10 171.21 2x9t s PRO 15 N -0.53 2.87 -0.39 0.43 0.02 -1.26 -1.61 135.00 134.53 2x9t s PRO 15 Ca 0.23 1.14 -0.00 0.00 0.02 0.00 0.00 61.00 62.39 2x9t s PRO 15 Cb -0.11 -1.97 0.19 0.00 0.02 0.00 0.00 34.50 32.63 2x9t s PRO 15 CO -0.08 -1.17 0.86 -1.01 -0.33 0.00 0.00 177.00 175.27 2x9t s HIS 16 N -2.74 -1.04 1.05 6.54 3.76 -1.26 -4.57 115.29 117.03 2x9t s HIS 16 Ca 0.62 0.01 -0.17 0.00 -0.15 0.00 0.00 55.06 55.36 2x9t s HIS 16 Cb -0.16 0.20 0.24 0.00 1.11 0.00 0.00 32.58 33.96 2x9t s HIS 16 CO 0.48 -0.74 1.26 0.71 -0.85 0.00 0.00 174.74 175.60 2x9t s TYR 17 N 1.62 1.12 -0.26 1.40 1.51 -1.19 -1.70 117.35 119.84 2x9t s TYR 17 Ca 0.19 0.35 -0.04 0.00 -1.01 0.00 0.00 57.07 56.55 2x9t s TYR 17 Cb 0.02 -3.93 0.09 0.00 -0.11 0.00 0.00 41.96 38.03 2x9t s TYR 17 CO -0.10 -3.13 0.13 1.03 -1.11 0.00 0.00 175.55 172.38 2x9t s ARG 18 N -5.76 0.16 -0.23 -0.62 0.52 0.32 -2.94 118.95 110.41 2x9t s ARG 18 Ca 0.74 -0.38 -0.37 0.00 -0.52 0.00 0.00 55.73 55.20 2x9t s ARG 18 Cb -0.05 -1.31 -0.13 0.00 0.52 0.00 0.00 34.95 33.98 2x9t s ARG 18 CO 0.54 -0.92 1.89 -0.89 0.02 0.00 0.00 175.30 175.94 2x9t n ILE 19 N 5.26 0.39 -3.70 1.52 -0.00 0.27 -2.95 119.36 120.16 2x9t n ILE 19 Ca -0.06 -0.12 -0.14 0.00 -0.00 0.00 0.00 62.75 62.43 2x9t n ILE 19 Cb 0.44 -1.56 -0.08 0.00 -0.00 0.00 0.00 39.64 38.45 2x9t n ILE 19 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2x9t s VAL 20 N 4.56 0.04 -0.14 1.39 0.11 0.25 -2.53 120.40 124.08 2x9t s VAL 20 Ca 0.99 -0.36 -0.14 0.00 -2.93 0.00 0.00 61.98 59.54 2x9t s VAL 20 Cb -0.89 -0.73 -0.05 0.00 -1.53 0.00 0.00 36.38 33.19 2x9t s VAL 20 CO 0.57 -0.20 0.31 0.54 -3.33 0.00 0.00 175.10 172.99 2x9t s VAL 21 N -1.37 5.28 0.13 2.04 0.11 -0.83 -0.02 120.40 125.75 2x9t s VAL 21 Ca -0.12 0.59 -0.25 0.00 -2.93 0.00 0.00 61.98 59.26 2x9t s VAL 21 Cb -0.04 -3.64 0.07 0.00 -1.53 0.00 0.00 36.38 31.24 2x9t s VAL 21 CO 0.05 0.41 0.78 0.28 -3.33 0.00 0.00 175.10 173.30 2x9t s THR 22 N 0.29 0.00 0.19 5.04 -1.32 0.11 -0.07 115.64 119.87 2x9t s THR 22 Ca 0.18 -0.30 -0.30 0.00 -1.21 0.00 0.00 61.69 60.06 2x9t s THR 22 Cb -0.13 -1.36 -0.08 0.00 -1.51 0.00 0.00 72.50 69.41 2x9t s THR 22 CO 0.05 0.00 1.25 -0.62 -2.21 0.00 0.00 174.62 173.09 2x9t s ASP 23 N -2.73 6.99 0.31 8.08 -1.08 -1.26 0.12 116.67 127.11 2x9t s ASP 23 Ca 0.06 2.31 0.08 0.00 -0.52 0.00 0.00 52.55 54.48 2x9t s ASP 23 Cb -0.02 -2.61 0.84 0.00 -1.46 0.00 0.00 42.92 39.67 2x9t s ASP 23 CO -0.05 -0.45 1.72 0.00 0.52 0.00 0.00 175.17 176.91 2x9t h ALA 24 N 5.36 1.69 0.00 3.66 0.00 -1.23 -1.27 119.26 127.45 2x9t h ALA 24 Ca -0.44 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2x9t h ALA 24 Cb 1.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2x9t h ALA 24 CO 0.76 -0.29 0.00 0.54 0.00 0.00 0.00 179.25 180.26 2x9t n ARG 25 N -4.93 0.58 -1.15 0.00 1.74 -1.26 -4.77 116.66 106.87 2x9t n ARG 25 Ca 0.25 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 57.16 2x9t n ARG 25 Cb 0.72 -1.33 0.12 0.00 -1.02 0.00 0.00 32.46 30.95 2x9t n ARG 25 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2x9t n ARG 26 N -0.83 -0.79 -3.85 5.56 5.12 -0.48 -5.08 116.66 116.30 2x9t n ARG 26 Ca 0.09 -1.25 -0.21 0.00 -1.93 0.00 0.00 57.85 54.56 2x9t n ARG 26 Cb 0.04 -0.83 -0.03 0.00 -1.16 0.00 0.00 32.46 30.48 2x9t n ARG 26 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 2x9t s LYS 27 N -4.76 2.92 0.03 5.56 -2.85 -1.26 -5.01 119.74 114.37 2x9t s LYS 27 Ca 0.46 -1.13 -0.09 0.00 -1.00 0.00 0.00 55.97 54.21 2x9t s LYS 27 Cb -0.01 -2.60 -0.04 0.00 -2.06 0.00 0.00 37.83 33.12 2x9t s LYS 27 CO 0.32 0.21 1.14 -0.09 0.10 0.00 0.00 175.35 177.03 2x9t h ARG 28 N 1.25 -0.19 0.00 1.78 2.43 -1.96 -1.60 114.38 116.08 2x9t h ARG 28 Ca -0.47 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2x9t h ARG 28 Cb 1.25 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2x9t h ARG 28 CO 0.58 -0.13 0.00 -0.25 -1.51 0.00 0.00 179.97 178.66 2x9t n ASP 29 N -3.19 0.00 -3.12 -3.80 10.43 -1.26 -4.70 116.55 110.91 2x9t n ASP 29 Ca -0.02 -1.14 -0.17 0.00 2.57 0.00 0.00 54.79 56.02 2x9t n ASP 29 Cb 0.11 0.00 0.17 0.00 1.84 0.00 0.00 41.12 43.23 2x9t n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2x9t n GLY 30 N 0.29 -3.79 3.59 0.44 0.00 -0.60 -4.90 105.19 100.22 2x9t n GLY 30 Ca 0.07 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 2x9t n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2x9t s LYS 31 N -4.20 3.58 0.59 1.61 2.20 -1.26 -4.96 119.74 117.31 2x9t s LYS 31 Ca 0.38 0.58 -0.09 0.00 -0.36 0.00 0.00 55.97 56.48 2x9t s LYS 31 Cb -0.07 -3.99 -0.03 0.00 -1.51 0.00 0.00 37.83 32.24 2x9t s LYS 31 CO 0.32 -1.57 0.96 1.52 -0.36 0.00 0.00 175.35 176.22 2x9t s TYR 32 N 5.03 3.54 0.03 4.03 1.13 -1.26 -4.89 117.35 124.95 2x9t s TYR 32 Ca 0.51 1.07 -0.18 0.00 -1.41 0.00 0.00 57.07 57.05 2x9t s TYR 32 Cb -0.09 -2.66 -0.22 0.00 -1.10 0.00 0.00 41.96 37.90 2x9t s TYR 32 CO 0.30 -0.66 1.15 0.82 -2.51 0.00 0.00 175.55 174.66 2x9t h ILE 33 N -0.20 1.39 -1.70 -3.49 1.08 -0.86 -3.48 117.51 110.25 2x9t h ILE 33 Ca -0.45 -2.01 0.03 0.00 -0.39 0.00 0.00 64.86 62.04 2x9t h ILE 33 Cb 1.21 2.43 -0.24 0.00 -3.07 0.00 0.00 36.82 37.15 2x9t h ILE 33 CO 0.62 0.60 0.38 -0.70 -0.69 0.00 0.00 178.15 178.36 2x9t s GLU 34 N -3.38 0.61 -0.03 2.37 2.12 -1.05 -5.03 118.70 114.31 2x9t s GLU 34 Ca -0.13 0.63 -0.16 0.00 0.36 0.00 0.00 54.97 55.68 2x9t s GLU 34 Cb 0.05 0.30 -0.05 0.00 0.26 0.00 0.00 34.13 34.68 2x9t s GLU 34 CO 0.84 -0.09 0.44 0.21 -0.54 0.00 0.00 175.26 176.11 2x9t s LYS 35 N 0.08 4.08 0.00 4.30 2.20 -1.26 -1.96 119.74 127.19 2x9t s LYS 35 Ca 0.01 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.07 2x9t s LYS 35 Cb -0.04 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 2x9t s LYS 35 CO -0.03 0.52 0.24 0.44 -0.36 0.00 0.00 175.35 176.16 2x9t n ILE 36 N 2.40 0.00 0.00 5.43 -5.35 -1.10 -4.99 119.36 115.75 2x9t n ILE 36 Ca -0.12 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 2x9t n ILE 36 Cb 0.52 1.25 0.00 0.00 -1.74 0.00 0.00 39.64 39.67 2x9t n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x9t n GLY 37 N 0.18 2.11 3.92 3.28 0.00 -1.05 -0.76 105.19 112.87 2x9t n GLY 37 Ca 0.00 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 2x9t n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2x9t s TYR 38 N -2.00 2.02 0.03 1.61 -0.85 -1.16 0.97 117.35 117.97 2x9t s TYR 38 Ca 0.00 -0.68 -0.27 0.00 -0.52 0.00 0.00 57.07 55.59 2x9t s TYR 38 Cb 0.00 -2.07 0.08 0.00 0.38 0.00 0.00 41.96 40.35 2x9t s TYR 38 CO 0.00 -0.46 0.71 -0.47 -1.52 0.00 0.00 175.55 173.81 2x9t s TYR 39 N -2.63 -0.54 -0.24 -3.49 5.04 -1.15 -3.47 117.35 110.87 2x9t s TYR 39 Ca 0.45 0.63 -0.04 0.00 -2.44 0.00 0.00 57.07 55.67 2x9t s TYR 39 Cb -0.03 0.49 0.08 0.00 0.35 0.00 0.00 41.96 42.85 2x9t s TYR 39 CO 0.27 -0.67 0.10 0.34 -1.34 0.00 0.00 175.55 174.25 2x9t s ASP 40 N -1.98 3.09 0.00 4.32 3.68 -1.25 -3.19 116.67 121.34 2x9t s ASP 40 Ca -0.03 -1.03 0.07 0.00 2.13 0.00 0.00 52.55 53.69 2x9t s ASP 40 Cb -0.01 -0.40 0.38 0.00 -1.45 0.00 0.00 42.92 41.44 2x9t s ASP 40 CO -0.03 -0.39 0.92 -0.81 0.13 0.00 0.00 175.17 174.99 2x9t n PRO 41 N 5.19 0.18 -0.00 4.34 -0.04 -1.26 -2.17 135.00 141.24 2x9t n PRO 41 Ca -0.06 0.06 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 2x9t n PRO 41 Cb 0.45 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 2x9t n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2x9t n ARG 42 N -1.08 3.41 -2.74 0.54 1.74 -1.26 -5.02 116.66 112.26 2x9t n ARG 42 Ca 0.05 -0.02 -0.19 0.00 -0.77 0.00 0.00 57.85 56.91 2x9t n ARG 42 Cb 0.03 -0.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 2x9t n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2x9t n LYS 43 N -1.33 -3.00 0.00 5.56 4.01 -0.92 -4.80 118.16 117.68 2x9t n LYS 43 Ca 0.00 0.78 0.00 0.00 -0.51 0.00 0.00 58.31 58.59 2x9t n LYS 43 Cb 0.10 -5.50 0.00 0.00 -0.51 0.00 0.00 35.03 29.12 2x9t n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2x9t n THR 44 N -3.97 0.00 -3.53 -0.18 -2.24 -1.26 -4.61 114.28 98.49 2x9t n THR 44 Ca -0.15 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 2x9t n THR 44 Cb 0.63 -0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.59 2x9t n THR 44 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2x9t s THR 45 N -1.01 0.00 -1.99 4.28 2.01 -1.26 -5.02 115.64 112.65 2x9t s THR 45 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2x9t s THR 45 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 2x9t s THR 45 CO 0.00 0.00 0.60 -0.81 -0.69 0.00 0.00 174.62 173.72 2x9t n PRO 46 N 0.47 0.61 -1.06 4.92 -0.04 -1.26 -2.85 135.00 135.79 2x9t n PRO 46 Ca -0.13 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.28 2x9t n PRO 46 Cb 0.59 -1.00 0.15 0.00 -0.04 0.00 0.00 33.50 33.20 2x9t n PRO 46 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2x9t n ASP 47 N -0.50 2.91 -1.60 3.54 8.00 -1.26 -4.85 116.55 122.80 2x9t n ASP 47 Ca 0.00 -3.84 0.00 0.00 0.71 0.00 0.00 54.79 51.66 2x9t n ASP 47 Cb 0.00 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 2x9t n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 2x9t n TRP 48 N -1.00 0.00 0.00 1.24 4.27 -1.13 -4.73 117.44 116.09 2x9t n TRP 48 Ca 0.30 -0.66 0.00 0.00 -3.89 0.00 0.00 57.50 53.25 2x9t n TRP 48 Cb 0.83 -0.40 0.00 0.00 -1.36 0.00 0.00 31.31 30.38 2x9t n TRP 48 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2x9t n LEU 49 N 1.57 0.00 0.00 5.67 7.94 -1.26 -3.87 117.00 127.05 2x9t n LEU 49 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2x9t n LEU 49 Cb 0.34 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.29 2x9t n LEU 49 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 177.45 2x9t n LYS 50 N -0.88 0.00 -3.82 1.96 0.00 -1.23 -4.91 118.16 109.29 2x9t n LYS 50 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.01 2x9t n LYS 50 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 2x9t n LYS 50 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2x9t s VAL 51 N 0.00 1.68 -0.77 3.15 1.01 -1.26 -3.00 120.40 121.21 2x9t s VAL 51 Ca 0.00 -2.43 -0.12 0.00 0.00 0.00 0.00 61.98 59.43 2x9t s VAL 51 Cb 0.00 -2.20 -0.23 0.00 0.00 0.00 0.00 36.38 33.95 2x9t s VAL 51 CO 0.00 -0.78 1.97 -0.67 0.00 0.00 0.00 175.10 175.62 2x9t n ASP 52 N 3.85 -0.78 0.18 3.32 4.64 0.06 -4.69 116.55 123.13 2x9t n ASP 52 Ca 0.05 -1.03 0.15 0.00 -1.38 0.00 0.00 54.79 52.58 2x9t n ASP 52 Cb 0.37 -0.84 0.75 0.00 -1.04 0.00 0.00 41.12 40.36 2x9t n ASP 52 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 2x9t h VAL 53 N 7.11 0.69 -0.56 5.18 -1.51 -1.93 -0.69 116.25 124.54 2x9t h VAL 53 Ca 0.02 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.59 2x9t h VAL 53 Cb 1.07 0.88 -0.08 0.00 -2.13 0.00 0.00 31.29 31.03 2x9t h VAL 53 CO 1.35 0.00 0.10 -0.33 -1.23 0.00 0.00 177.57 177.46 2x9t h GLU 54 N 0.00 0.22 0.00 5.19 4.39 -1.98 -0.38 114.58 122.02 2x9t h GLU 54 Ca 0.09 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 2x9t h GLU 54 Cb 0.42 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2x9t h GLU 54 CO -0.00 0.15 -0.04 0.00 -1.16 0.00 0.00 179.01 177.96 2x9t h ARG 55 N 0.23 0.00 -1.02 2.33 2.47 -1.56 -3.29 114.38 113.55 2x9t h ARG 55 Ca 0.29 0.00 0.26 0.00 -1.26 0.00 0.00 59.98 59.26 2x9t h ARG 55 Cb 0.42 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.62 2x9t h ARG 55 CO -0.39 0.40 0.61 0.00 0.56 0.00 0.00 179.97 181.15 2x9t h ALA 56 N -0.61 1.89 0.00 0.04 0.00 -1.14 1.12 119.26 120.56 2x9t h ALA 56 Ca -0.01 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2x9t h ALA 56 Cb 0.42 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2x9t h ALA 56 CO -0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 179.25 178.76 2x9t h ARG 57 N 0.53 0.00 0.18 0.00 3.08 -1.21 -3.17 114.38 113.78 2x9t h ARG 57 Ca 0.65 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.69 2x9t h ARG 57 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 2x9t h ARG 57 CO -0.45 0.12 -0.09 -0.92 -1.07 0.00 0.00 179.97 177.56 2x9t h TYR 58 N 0.00 -0.22 0.00 3.04 -0.00 0.12 -3.09 116.97 116.82 2x9t h TYR 58 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.72 2x9t h TYR 58 Cb 0.62 0.07 0.00 0.00 -0.00 0.00 0.00 36.73 37.42 2x9t h TYR 58 CO 0.00 -0.14 0.44 0.91 -0.00 0.00 0.00 178.16 179.38 2x9t n TRP 59 N -3.33 0.26 0.03 -3.82 5.03 -0.84 0.14 117.44 114.91 2x9t n TRP 59 Ca -0.03 0.13 -0.01 0.00 3.03 0.00 0.00 57.50 60.63 2x9t n TRP 59 Cb 0.09 -0.41 -0.09 0.00 -1.03 0.00 0.00 31.31 29.88 2x9t n TRP 59 CO 0.00 0.00 0.00 1.28 -0.03 0.00 0.00 177.69 178.94 2x9t n LEU 60 N -1.86 0.85 0.18 -0.99 4.77 -1.20 -3.52 117.00 115.23 2x9t n LEU 60 Ca -0.01 0.38 0.14 0.00 -0.03 0.00 0.00 56.01 56.49 2x9t n LEU 60 Cb 0.46 0.08 0.52 0.00 -2.33 0.00 0.00 43.42 42.15 2x9t n LEU 60 CO 0.03 0.16 0.90 0.77 -1.33 0.00 0.00 177.39 177.92 2x9t h SER 61 N 0.00 0.00 -0.15 -1.43 4.64 0.14 -2.53 113.55 114.22 2x9t h SER 61 Ca -0.17 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.09 2x9t h SER 61 Cb 1.62 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.67 2x9t h SER 61 CO 0.05 0.00 -0.17 1.33 -0.87 0.00 0.00 176.83 177.17 2x9t n VAL 62 N -2.54 2.25 -1.54 0.95 0.24 -1.20 -5.06 118.33 111.43 2x9t n VAL 62 Ca 0.02 -2.64 0.00 0.00 -2.04 0.00 0.00 64.34 59.68 2x9t n VAL 62 Cb 0.29 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 2x9t n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2x9t n GLY 63 N -1.10 -4.80 2.28 7.63 0.00 -0.95 -5.05 105.19 103.20 2x9t n GLY 63 Ca 0.23 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 2x9t n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9t n ALA 64 N 0.78 0.95 0.00 4.61 0.00 -1.23 -4.80 120.51 120.81 2x9t n ALA 64 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2x9t n ALA 64 Cb 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2x9t n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2x9t n GLN 65 N -0.94 0.00 -2.35 0.00 1.13 -1.26 -3.89 117.38 110.08 2x9t n GLN 65 Ca -0.12 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.64 2x9t n GLN 65 Cb 0.74 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 31.08 2x9t n GLN 65 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2x9t s PRO 66 N 0.00 3.67 0.83 -1.09 0.04 -1.26 -4.07 135.00 133.12 2x9t s PRO 66 Ca 0.00 0.57 -0.14 0.00 0.04 0.00 0.00 61.00 61.47 2x9t s PRO 66 Cb 0.00 -2.23 0.05 0.00 0.04 0.00 0.00 34.50 32.36 2x9t s PRO 66 CO 0.00 -0.32 0.83 2.41 0.04 0.00 0.00 177.00 179.96 2x9t n THR 67 N -2.18 1.28 0.15 1.26 -1.04 -0.02 -4.76 114.28 108.97 2x9t n THR 67 Ca 0.04 -0.23 -0.11 0.00 -2.04 0.00 0.00 64.05 61.70 2x9t n THR 67 Cb 0.54 -0.92 -0.07 0.00 -1.82 0.00 0.00 70.33 68.06 2x9t n THR 67 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2x9t h ASP 68 N -1.03 -0.37 0.39 8.00 3.32 -1.96 0.11 116.42 124.87 2x9t h ASP 68 Ca -0.45 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.43 2x9t h ASP 68 Cb 1.30 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.95 2x9t h ASP 68 CO 0.42 0.08 0.00 0.35 -1.72 0.00 0.00 179.24 178.37 2x9t n THR 69 N -5.09 1.19 -0.02 0.35 -2.24 -1.26 -1.29 114.28 105.91 2x9t n THR 69 Ca -0.08 0.36 -0.15 0.00 -2.27 0.00 0.00 64.05 61.90 2x9t n THR 69 Cb 0.26 -1.23 -0.14 0.00 -2.10 0.00 0.00 70.33 67.12 2x9t n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2x9t n ALA 70 N -1.60 1.20 -0.33 6.98 0.00 -1.17 -3.85 120.51 121.75 2x9t n ALA 70 Ca 0.02 -0.74 0.08 0.00 0.00 0.00 0.00 53.44 52.80 2x9t n ALA 70 Cb 0.13 -0.68 0.24 0.00 0.00 0.00 0.00 19.45 19.14 2x9t n ALA 70 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2x9t h ARG 71 N 0.03 0.78 0.40 0.00 2.43 0.59 -1.74 114.38 116.87 2x9t h ARG 71 Ca -0.39 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 2x9t h ARG 71 Cb 2.03 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 31.39 2x9t h ARG 71 CO 0.07 0.52 -0.37 -0.09 -1.51 0.00 0.00 179.97 178.59 2x9t h ARG 72 N 0.80 -0.73 0.00 0.20 2.43 -1.62 -0.47 114.38 115.00 2x9t h ARG 72 Ca 0.49 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.71 2x9t h ARG 72 Cb 0.60 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 2x9t h ARG 72 CO -0.31 -0.49 0.21 1.28 -1.51 0.00 0.00 179.97 179.15 2x9t n LEU 73 N -4.64 0.06 -0.10 3.80 4.77 -0.71 -0.47 117.00 119.71 2x9t n LEU 73 Ca -0.09 0.34 -0.23 0.00 -0.03 0.00 0.00 56.01 56.00 2x9t n LEU 73 Cb 0.34 -0.33 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 2x9t n LEU 73 CO 0.20 -0.36 -0.67 0.18 -1.33 0.00 0.00 177.39 175.41 2x9t n LEU 74 N -1.42 1.92 0.25 2.23 4.77 -0.32 -3.32 117.00 121.11 2x9t n LEU 74 Ca -0.00 0.40 -0.16 0.00 -0.03 0.00 0.00 56.01 56.22 2x9t n LEU 74 Cb 0.22 -0.96 -0.08 0.00 -2.33 0.00 0.00 43.42 40.27 2x9t n LEU 74 CO 0.01 0.35 0.69 -0.09 -1.33 0.00 0.00 177.39 177.02 2x9t h ARG 75 N -0.94 -0.63 0.00 3.23 2.43 0.59 0.11 114.38 119.18 2x9t h ARG 75 Ca -0.40 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2x9t h ARG 75 Cb 1.39 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.08 2x9t h ARG 75 CO -0.22 -0.42 0.04 0.94 -1.51 0.00 0.00 179.97 178.80 2x9t n GLN 76 N -5.39 0.00 -0.18 0.20 7.27 0.34 0.25 117.38 119.87 2x9t n GLN 76 Ca -0.11 0.40 0.06 0.00 0.07 0.00 0.00 57.00 57.43 2x9t n GLN 76 Cb 0.30 -1.54 0.16 0.00 2.41 0.00 0.00 30.24 31.56 2x9t n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2x9t n ALA 77 N -1.40 2.22 -3.26 1.69 0.00 -0.08 -5.00 120.51 114.68 2x9t n ALA 77 Ca 0.00 -1.10 -0.15 0.00 0.00 0.00 0.00 53.44 52.18 2x9t n ALA 77 Cb 0.04 -0.48 0.07 0.00 0.00 0.00 0.00 19.45 19.08 2x9t n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2x9t n GLY 78 N 0.64 -1.13 0.00 0.00 0.00 0.69 -4.89 105.19 100.50 2x9t n GLY 78 Ca 0.12 0.56 0.06 0.00 0.00 0.00 0.00 46.02 46.77 2x9t n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2x9t n VAL 79 N -3.28 0.00 -0.11 1.61 0.31 -0.62 -4.65 118.33 111.59 2x9t n VAL 79 Ca -0.08 -0.22 -0.15 0.00 -0.01 0.00 0.00 64.34 63.88 2x9t n VAL 79 Cb 0.62 0.76 -0.11 0.00 -0.91 0.00 0.00 33.84 34.21 2x9t n VAL 79 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2x9t n PHE 80 N -1.51 0.00 -1.37 3.52 3.01 -1.26 -4.94 117.46 114.92 2x9t n PHE 80 Ca 0.01 0.00 -0.54 0.00 1.01 0.00 0.00 57.45 57.93 2x9t n PHE 80 Cb 0.25 -0.86 -0.09 0.00 -0.01 0.00 0.00 39.48 38.77 2x9t n PHE 80 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2x9t n ARG 81 N -3.10 0.60 0.00 -1.08 0.63 -1.26 -4.79 116.66 107.66 2x9t n ARG 81 Ca -0.38 0.16 0.13 0.00 -0.92 0.00 0.00 57.85 56.84 2x9t n ARG 81 Cb 0.94 -2.05 0.38 0.00 0.45 0.00 0.00 32.46 32.18 2x9t n ARG 81 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2x9t n GLN 82 N 7.93 1.06 0.00 -0.14 0.00 -1.26 -4.96 117.38 120.02 2x9t n GLN 82 Ca 0.48 -0.65 0.00 0.00 0.00 0.00 0.00 57.00 56.83 2x9t n GLN 82 Cb 0.12 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.87 2x9t n GLN 82 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2x9t n GLU 83 N -0.40 0.00 0.00 2.61 -0.58 -1.26 -5.29 120.64 115.72 2x9t n GLU 83 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2x9t n GLU 83 Cb 0.36 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.23 2x9t n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65