#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2q n SER 2 N 0.00 -7.95 -0.10 1.61 7.64 -1.26 -4.94 113.62 108.62 1x2q n SER 2 Ca 0.00 1.77 -0.12 0.00 1.01 0.00 0.00 58.87 61.53 1x2q n SER 2 Cb 0.00 -4.71 -0.04 0.00 -1.01 0.00 0.00 64.21 58.45 1x2q n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x2q n SER 3 N -2.54 1.93 0.00 6.43 2.88 -1.26 -5.13 113.62 115.93 1x2q n SER 3 Ca 0.00 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1x2q n SER 3 Cb 0.45 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1x2q n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x2q n GLY 4 N 1.44 -0.71 1.26 0.46 0.00 -1.26 -5.07 105.19 101.31 1x2q n GLY 4 Ca -0.19 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1x2q n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x2q n SER 5 N -0.48 0.72 -2.32 1.61 3.41 -1.26 -5.03 113.62 110.27 1x2q n SER 5 Ca 0.00 0.19 -0.02 0.00 -0.26 0.00 0.00 58.87 58.79 1x2q n SER 5 Cb 0.00 -0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 63.79 1x2q n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x2q n SER 6 N -3.42 -4.22 -3.03 4.04 2.88 -1.26 -4.69 113.62 103.92 1x2q n SER 6 Ca 0.00 0.99 -0.01 0.00 -1.33 0.00 0.00 58.87 58.52 1x2q n SER 6 Cb 0.05 -4.03 -0.00 0.00 -0.75 0.00 0.00 64.21 59.48 1x2q n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x2q n GLY 7 N 0.75 -1.18 2.78 0.46 0.00 -1.26 -5.01 105.19 101.74 1x2q n GLY 7 Ca -0.11 0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1x2q n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x2q s SER 8 N -0.76 1.20 -0.43 1.61 0.15 -1.26 -5.08 113.70 109.14 1x2q s SER 8 Ca -0.03 -0.13 0.06 0.00 0.70 0.00 0.00 55.95 56.56 1x2q s SER 8 Cb 0.00 0.46 0.18 0.00 -1.71 0.00 0.00 66.02 64.95 1x2q s SER 8 CO 0.20 -0.32 0.57 -0.70 1.20 0.00 0.00 173.24 174.19 1x2q s GLU 9 N 2.35 0.84 -0.04 5.44 2.12 -1.26 -5.14 118.70 123.01 1x2q s GLU 9 Ca 0.07 -0.71 -0.01 0.00 0.36 0.00 0.00 54.97 54.69 1x2q s GLU 9 Cb -0.15 -0.23 -0.04 0.00 0.26 0.00 0.00 34.13 33.97 1x2q s GLU 9 CO -0.12 -1.24 0.02 0.42 -0.54 0.00 0.00 175.26 173.80 1x2q s ILE 10 N 1.41 4.36 -0.44 -3.70 1.01 -1.26 -5.07 121.20 117.51 1x2q s ILE 10 Ca 0.20 -0.39 0.07 0.00 0.00 0.00 0.00 60.65 60.54 1x2q s ILE 10 Cb -0.06 -2.90 0.18 0.00 0.01 0.00 0.00 42.46 39.69 1x2q s ILE 10 CO -0.06 0.48 0.63 -1.58 0.00 0.00 0.00 174.94 174.41 1x2q s GLN 11 N -1.27 0.90 -0.29 2.79 0.74 -1.26 -5.13 119.66 116.14 1x2q s GLN 11 Ca 0.17 -0.69 -0.26 0.00 0.05 0.00 0.00 55.36 54.64 1x2q s GLN 11 Cb -0.12 -0.10 0.18 0.00 1.10 0.00 0.00 33.01 34.07 1x2q s GLN 11 CO 0.07 -1.25 1.35 -1.17 -0.55 0.00 0.00 175.29 173.75 1x2q s LEU 12 N 1.39 -0.13 0.00 3.68 0.20 -1.26 -5.18 118.68 117.38 1x2q s LEU 12 Ca 0.22 0.24 0.00 0.00 0.69 0.00 0.00 54.13 55.28 1x2q s LEU 12 Cb -0.03 1.26 0.00 0.00 -0.43 0.00 0.00 46.19 46.98 1x2q s LEU 12 CO -0.06 -0.05 0.00 -0.46 -0.29 0.00 0.00 176.35 175.49 1x2q n ASN 13 N 1.57 0.00 0.16 3.68 6.94 -1.26 -5.09 115.26 121.27 1x2q n ASN 13 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.46 1x2q n ASN 13 Cb 0.57 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 1x2q n ASN 13 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1x2q n ASN 14 N 0.00 -2.88 -4.75 0.53 2.85 -1.26 -5.14 115.26 104.62 1x2q n ASN 14 Ca 0.00 0.62 -0.30 0.00 -0.11 0.00 0.00 54.58 54.79 1x2q n ASN 14 Cb 0.00 2.83 0.12 0.00 1.24 0.00 0.00 39.78 43.97 1x2q n ASN 14 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1x2q s LYS 15 N -2.00 1.49 -0.18 1.20 1.02 -1.26 -5.03 119.74 114.98 1x2q s LYS 15 Ca 0.00 0.73 -0.06 0.00 0.02 0.00 0.00 55.97 56.66 1x2q s LYS 15 Cb 0.00 -1.84 -0.04 0.00 -0.52 0.00 0.00 37.83 35.43 1x2q s LYS 15 CO 0.00 -2.06 0.04 0.14 -0.92 0.00 0.00 175.35 172.55 1x2q s VAL 16 N -3.02 4.52 0.14 3.17 -7.23 -1.26 -5.08 120.40 111.64 1x2q s VAL 16 Ca 0.63 -0.13 -0.14 0.00 -1.81 0.00 0.00 61.98 60.53 1x2q s VAL 16 Cb -0.17 -3.03 0.02 0.00 0.56 0.00 0.00 36.38 33.76 1x2q s VAL 16 CO 0.56 0.46 0.37 0.00 -0.31 0.00 0.00 175.10 176.18 1x2q s ALA 17 N 0.47 -0.63 -0.62 1.32 0.00 -1.26 -5.11 121.76 115.93 1x2q s ALA 17 Ca 0.01 -0.35 -0.23 0.00 0.00 0.00 0.00 51.96 51.39 1x2q s ALA 17 Cb -0.13 0.73 0.06 0.00 0.00 0.00 0.00 23.12 23.78 1x2q s ALA 17 CO 0.01 -0.66 0.96 0.50 0.00 0.00 0.00 175.76 176.58 1x2q s ARG 18 N -3.86 3.19 0.39 0.00 3.52 -1.22 -4.97 118.95 116.00 1x2q s ARG 18 Ca 0.08 -0.59 -0.08 0.00 -0.13 0.00 0.00 55.73 55.00 1x2q s ARG 18 Cb 0.02 -4.16 -0.06 0.00 -1.56 0.00 0.00 34.95 29.20 1x2q s ARG 18 CO -0.07 -1.70 0.72 0.15 -0.81 0.00 0.00 175.30 173.59 1x2q s LYS 19 N 4.08 3.70 -0.09 5.12 1.02 -1.26 0.18 119.74 132.49 1x2q s LYS 19 Ca 0.26 0.31 -0.17 0.00 0.02 0.00 0.00 55.97 56.38 1x2q s LYS 19 Cb -0.15 -2.45 0.04 0.00 -0.52 0.00 0.00 37.83 34.75 1x2q s LYS 19 CO 0.14 -0.01 0.41 0.14 -0.92 0.00 0.00 175.35 175.11 1x2q s VAL 20 N -2.37 0.02 -0.24 3.17 -7.23 0.11 -4.61 120.40 109.25 1x2q s VAL 20 Ca 0.49 -0.18 -0.09 0.00 -1.81 0.00 0.00 61.98 60.39 1x2q s VAL 20 Cb -0.10 -0.66 -0.04 0.00 0.56 0.00 0.00 36.38 36.14 1x2q s VAL 20 CO 0.33 -0.10 0.11 -0.60 -0.31 0.00 0.00 175.10 174.54 1x2q s ARG 21 N -0.54 3.88 0.17 4.82 3.52 -0.85 0.40 118.95 130.35 1x2q s ARG 21 Ca -0.07 -0.37 -0.32 0.00 -0.13 0.00 0.00 55.73 54.85 1x2q s ARG 21 Cb -0.03 -3.42 -0.11 0.00 -1.56 0.00 0.00 34.95 29.82 1x2q s ARG 21 CO 0.03 -0.03 1.78 0.00 -0.81 0.00 0.00 175.30 176.27 1x2q n ALA 22 N 4.51 2.53 0.05 6.12 0.00 0.36 -1.00 120.51 133.07 1x2q n ALA 22 Ca -0.15 0.36 -0.23 0.00 0.00 0.00 0.00 53.44 53.42 1x2q n ALA 22 Cb 0.52 -2.56 -0.15 0.00 0.00 0.00 0.00 19.45 17.26 1x2q n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1x2q h LEU 23 N 7.63 0.57 -9.55 0.00 3.38 0.17 0.53 115.31 118.02 1x2q h LEU 23 Ca -0.45 -0.95 -0.58 0.00 0.09 0.00 0.00 57.88 55.99 1x2q h LEU 23 Cb 1.21 -0.18 -0.13 0.00 0.09 0.00 0.00 40.66 41.64 1x2q h LEU 23 CO 0.95 1.81 -0.59 -0.31 0.09 0.00 0.00 178.44 180.40 1x2q s TYR 24 N -2.57 2.23 -0.26 1.13 2.02 -1.19 -4.63 117.35 114.07 1x2q s TYR 24 Ca -0.18 -0.83 -0.20 0.00 -0.37 0.00 0.00 57.07 55.49 1x2q s TYR 24 Cb 0.06 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 40.03 1x2q s TYR 24 CO 0.83 0.24 0.63 0.16 -1.57 0.00 0.00 175.55 175.84 1x2q s ASP 25 N -3.65 6.56 0.51 2.29 1.47 -1.26 -2.73 116.67 119.85 1x2q s ASP 25 Ca 0.31 0.66 0.06 0.00 1.18 0.00 0.00 52.55 54.76 1x2q s ASP 25 Cb 0.08 -2.34 0.02 0.00 -0.34 0.00 0.00 42.92 40.34 1x2q s ASP 25 CO 0.15 -0.39 0.36 0.12 0.68 0.00 0.00 175.17 176.09 1x2q s PHE 26 N 2.52 1.93 -0.30 2.11 5.36 0.00 -4.87 117.98 124.74 1x2q s PHE 26 Ca 0.26 -0.76 -0.08 0.00 -0.96 0.00 0.00 56.93 55.39 1x2q s PHE 26 Cb -0.15 -1.95 0.18 0.00 -0.34 0.00 0.00 43.02 40.76 1x2q s PHE 26 CO 0.09 -0.32 0.92 -1.21 -1.46 0.00 0.00 175.22 173.24 1x2q s GLU 27 N -4.20 0.28 0.06 10.12 2.02 -1.26 -3.83 118.70 121.90 1x2q s GLU 27 Ca 0.36 0.40 -0.34 0.00 0.02 0.00 0.00 54.97 55.41 1x2q s GLU 27 Cb -0.01 0.21 -0.18 0.00 0.10 0.00 0.00 34.13 34.25 1x2q s GLU 27 CO 0.22 -0.40 0.84 0.00 0.02 0.00 0.00 175.26 175.93 1x2q n ALA 28 N 5.35 -3.22 -0.08 5.21 0.00 -1.15 -4.85 120.51 121.76 1x2q n ALA 28 Ca 0.01 0.51 -0.08 0.00 0.00 0.00 0.00 53.44 53.88 1x2q n ALA 28 Cb 0.55 -1.59 -0.12 0.00 0.00 0.00 0.00 19.45 18.28 1x2q n ALA 28 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1x2q n VAL 29 N 0.97 1.08 -2.83 0.00 3.14 -1.26 -5.00 118.33 114.43 1x2q n VAL 29 Ca 0.18 -0.67 -0.00 0.00 -2.96 0.00 0.00 64.34 60.89 1x2q n VAL 29 Cb 0.12 -0.58 0.00 0.00 -1.06 0.00 0.00 33.84 32.33 1x2q n VAL 29 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1x2q n GLU 30 N -2.58 0.90 -1.25 1.45 1.02 -1.26 -5.00 120.64 113.92 1x2q n GLU 30 Ca -0.26 -0.05 -0.27 0.00 -0.02 0.00 0.00 57.16 56.57 1x2q n GLU 30 Cb 1.01 -0.01 0.15 0.00 -0.02 0.00 0.00 31.44 32.57 1x2q n GLU 30 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1x2q n ASP 31 N -2.99 4.97 -2.69 1.62 8.00 -1.26 -4.28 116.55 119.92 1x2q n ASP 31 Ca 0.00 -3.68 -0.06 0.00 0.71 0.00 0.00 54.79 51.77 1x2q n ASP 31 Cb 0.01 -0.87 0.07 0.00 -0.02 0.00 0.00 41.12 40.31 1x2q n ASP 31 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1x2q n ASN 32 N -1.07 -1.66 -4.32 -2.24 5.15 -1.26 -5.14 115.26 104.73 1x2q n ASN 32 Ca 0.59 -2.28 -0.19 0.00 -0.60 0.00 0.00 54.58 52.11 1x2q n ASN 32 Cb 1.32 1.12 -0.10 0.00 -0.53 0.00 0.00 39.78 41.58 1x2q n ASN 32 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1x2q s GLU 33 N 0.14 1.52 -0.17 1.20 2.02 -1.26 -3.44 118.70 118.71 1x2q s GLU 33 Ca 0.16 -1.84 -0.11 0.00 0.02 0.00 0.00 54.97 53.20 1x2q s GLU 33 Cb 0.27 -0.44 -0.05 0.00 0.10 0.00 0.00 34.13 34.02 1x2q s GLU 33 CO -0.07 -0.29 0.19 -1.17 0.02 0.00 0.00 175.26 173.94 1x2q s LEU 34 N -3.38 4.25 -0.35 1.80 0.20 0.53 -3.95 118.68 117.79 1x2q s LEU 34 Ca 0.37 0.36 -0.09 0.00 0.69 0.00 0.00 54.13 55.46 1x2q s LEU 34 Cb 0.08 -2.18 0.03 0.00 -0.43 0.00 0.00 46.19 43.68 1x2q s LEU 34 CO 0.15 0.19 0.16 -0.89 -0.29 0.00 0.00 176.35 175.67 1x2q s THR 35 N 0.15 4.28 0.25 3.68 2.01 -1.26 -2.95 115.64 121.80 1x2q s THR 35 Ca 0.12 -0.90 -0.13 0.00 0.31 0.00 0.00 61.69 61.08 1x2q s THR 35 Cb -0.12 -3.37 -0.00 0.00 0.01 0.00 0.00 72.50 69.02 1x2q s THR 35 CO 0.01 -0.17 0.49 0.72 -0.69 0.00 0.00 174.62 174.98 1x2q s PHE 36 N 1.51 0.33 0.41 4.92 -0.12 -1.25 -4.82 117.98 118.96 1x2q s PHE 36 Ca 0.01 -0.70 0.00 0.00 -0.05 0.00 0.00 56.93 56.19 1x2q s PHE 36 Cb -0.19 0.22 -0.00 0.00 -0.63 0.00 0.00 43.02 42.42 1x2q s PHE 36 CO 0.05 -1.01 0.00 1.63 -0.05 0.00 0.00 175.22 175.85 1x2q n LYS 37 N -0.39 0.99 -2.21 1.99 5.02 -1.26 -0.82 118.16 121.49 1x2q n LYS 37 Ca -0.02 -3.00 -0.37 0.00 -2.02 0.00 0.00 58.31 52.91 1x2q n LYS 37 Cb 0.62 0.83 -0.00 0.00 -0.02 0.00 0.00 35.03 36.45 1x2q n LYS 37 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1x2q s HIS 38 N -2.50 2.79 0.00 2.13 5.65 -1.11 -3.32 115.29 118.94 1x2q s HIS 38 Ca 0.01 1.52 0.00 0.00 0.25 0.00 0.00 55.06 56.84 1x2q s HIS 38 Cb 0.00 -3.41 0.00 0.00 -1.18 0.00 0.00 32.58 27.99 1x2q s HIS 38 CO 0.00 -1.65 0.00 0.41 -0.65 0.00 0.00 174.74 172.85 1x2q n GLY 39 N 0.44 2.00 3.10 1.59 0.00 0.18 -4.93 105.19 107.57 1x2q n GLY 39 Ca 0.08 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1x2q n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x2q n GLU 40 N 0.00 0.00 -3.54 1.61 1.02 -1.21 -3.82 120.64 114.70 1x2q n GLU 40 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 1x2q n GLU 40 Cb 0.00 -0.91 -0.05 0.00 -0.02 0.00 0.00 31.44 30.45 1x2q n GLU 40 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1x2q s ILE 41 N -0.96 5.05 -0.02 -3.67 -1.09 -1.26 -0.49 121.20 118.76 1x2q s ILE 41 Ca 0.58 0.45 0.01 0.00 -2.23 0.00 0.00 60.65 59.47 1x2q s ILE 41 Cb -0.83 -3.65 0.01 0.00 -1.58 0.00 0.00 42.46 36.41 1x2q s ILE 41 CO 0.52 0.21 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.77 1x2q s ILE 42 N -1.48 0.41 -0.47 2.92 1.09 0.16 -4.57 121.20 119.26 1x2q s ILE 42 Ca 0.36 -0.12 -0.19 0.00 -1.10 0.00 0.00 60.65 59.60 1x2q s ILE 42 Cb -0.14 -0.41 0.04 0.00 -1.06 0.00 0.00 42.46 40.89 1x2q s ILE 42 CO 0.19 0.16 0.58 -0.63 -0.10 0.00 0.00 174.94 175.15 1x2q s ILE 43 N 0.50 4.91 -0.15 2.92 1.09 0.43 0.06 121.20 130.97 1x2q s ILE 43 Ca -0.06 -0.29 -0.29 0.00 -1.10 0.00 0.00 60.65 58.91 1x2q s ILE 43 Cb -0.09 -4.21 -0.02 0.00 -1.06 0.00 0.00 42.46 37.08 1x2q s ILE 43 CO -0.00 -0.65 1.22 -0.69 -0.10 0.00 0.00 174.94 174.71 1x2q s VAL 44 N 2.56 4.33 -0.14 2.92 1.01 0.48 0.15 120.40 131.71 1x2q s VAL 44 Ca 0.16 1.62 -0.08 0.00 0.00 0.00 0.00 61.98 63.69 1x2q s VAL 44 Cb -0.17 -4.04 -0.24 0.00 0.00 0.00 0.00 36.38 31.92 1x2q s VAL 44 CO 0.14 -0.11 0.29 0.18 0.00 0.00 0.00 175.10 175.60 1x2q n LEU 45 N 6.23 2.58 -3.92 3.92 4.77 0.26 -3.45 117.00 127.39 1x2q n LEU 45 Ca 0.13 0.20 -0.19 0.00 -0.03 0.00 0.00 56.01 56.13 1x2q n LEU 45 Cb 0.45 -1.08 -0.16 0.00 -2.33 0.00 0.00 43.42 40.30 1x2q n LEU 45 CO 0.55 0.80 -0.41 -1.81 -1.33 0.00 0.00 177.39 175.19 1x2q s ASP 46 N -6.99 0.85 -0.38 -1.43 1.01 -0.40 -5.00 116.67 104.33 1x2q s ASP 46 Ca -0.24 -0.12 0.12 0.00 0.71 0.00 0.00 52.55 53.02 1x2q s ASP 46 Cb 0.07 -0.33 0.43 0.00 1.01 0.00 0.00 42.92 44.10 1x2q s ASP 46 CO 0.73 -0.01 0.97 -0.90 0.21 0.00 0.00 175.17 176.17 1x2q n ASP 47 N 3.69 2.60 -0.06 0.27 5.75 -1.26 -1.70 116.55 125.83 1x2q n ASP 47 Ca -0.22 -3.13 -0.14 0.00 -0.01 0.00 0.00 54.79 51.29 1x2q n ASP 47 Cb 0.53 -0.52 -0.14 0.00 -1.03 0.00 0.00 41.12 39.96 1x2q n ASP 47 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1x2q n SER 48 N -0.16 1.23 -4.43 -1.12 3.41 -1.26 -4.80 113.62 106.48 1x2q n SER 48 Ca 0.22 0.14 -0.41 0.00 -0.26 0.00 0.00 58.87 58.56 1x2q n SER 48 Cb 0.72 -0.09 -0.11 0.00 -0.26 0.00 0.00 64.21 64.47 1x2q n SER 48 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1x2q s ASP 49 N -6.29 5.87 0.43 4.04 1.47 -1.26 -4.93 116.67 116.01 1x2q s ASP 49 Ca -0.17 -0.81 0.18 0.00 1.18 0.00 0.00 52.55 52.93 1x2q s ASP 49 Cb 0.07 -2.08 0.99 0.00 -0.34 0.00 0.00 42.92 41.56 1x2q s ASP 49 CO 0.76 -0.35 1.92 0.00 0.68 0.00 0.00 175.17 178.18 1x2q h ALA 50 N 8.49 1.36 -0.07 2.11 0.00 -1.99 -2.71 119.26 126.45 1x2q h ALA 50 Ca -0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1x2q h ALA 50 Cb 1.12 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1x2q h ALA 50 CO 0.67 0.33 0.00 -0.91 0.00 0.00 0.00 179.25 179.34 1x2q h ASN 51 N 0.00 0.11 -3.37 0.00 2.35 -1.94 -3.36 115.58 109.38 1x2q h ASN 51 Ca -0.00 -0.29 -0.50 0.00 -0.55 0.00 0.00 56.30 54.95 1x2q h ASN 51 Cb 0.53 -0.03 -0.34 0.00 0.05 0.00 0.00 38.32 38.53 1x2q h ASN 51 CO 0.03 0.38 -0.81 0.26 -1.65 0.00 0.00 177.43 175.65 1x2q s TRP 52 N -5.03 1.36 -0.12 1.19 0.52 -1.02 -4.43 118.94 111.41 1x2q s TRP 52 Ca -0.14 -0.54 -0.02 0.00 0.02 0.00 0.00 56.10 55.42 1x2q s TRP 52 Cb 0.04 -1.05 -0.03 0.00 -1.15 0.00 0.00 33.47 31.29 1x2q s TRP 52 CO 0.69 -0.32 -0.06 -1.58 0.02 0.00 0.00 176.95 175.70 1x2q s TRP 53 N 0.94 2.98 -0.35 -1.98 0.52 0.29 -4.03 118.94 117.31 1x2q s TRP 53 Ca -0.10 -0.19 -0.17 0.00 0.02 0.00 0.00 56.10 55.67 1x2q s TRP 53 Cb -0.15 -1.85 -0.00 0.00 -1.15 0.00 0.00 33.47 30.32 1x2q s TRP 53 CO 0.00 0.10 0.44 0.21 0.02 0.00 0.00 176.95 177.73 1x2q s LYS 54 N -0.12 3.54 0.33 4.98 2.20 -0.69 -2.37 119.74 127.62 1x2q s LYS 54 Ca 0.02 -0.34 0.07 0.00 -0.36 0.00 0.00 55.97 55.36 1x2q s LYS 54 Cb -0.13 -3.82 -0.03 0.00 -1.51 0.00 0.00 37.83 32.34 1x2q s LYS 54 CO 0.03 -0.61 0.29 0.20 -0.36 0.00 0.00 175.35 174.90 1x2q s GLY 55 N 1.75 2.28 0.02 5.54 0.00 -1.24 0.90 107.32 116.58 1x2q s GLY 55 Ca 0.15 -2.04 0.01 0.00 0.00 0.00 0.00 44.72 42.84 1x2q s GLY 55 CO 0.13 -1.44 -0.05 1.85 0.00 0.00 0.00 173.10 173.58 1x2q s GLU 56 N -3.42 0.40 0.22 2.90 -6.30 0.41 -3.04 118.70 109.86 1x2q s GLU 56 Ca 0.40 -0.54 -0.06 0.00 -2.50 0.00 0.00 54.97 52.27 1x2q s GLU 56 Cb 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 34.13 33.94 1x2q s GLU 56 CO 0.27 0.03 0.27 0.54 0.02 0.00 0.00 175.26 176.39 1x2q s ASN 57 N -1.13 0.06 0.21 -1.70 2.20 0.23 0.16 114.94 114.97 1x2q s ASN 57 Ca -0.08 -1.19 -0.17 0.00 -0.94 0.00 0.00 52.86 50.47 1x2q s ASN 57 Cb -0.08 0.46 0.20 0.00 -2.00 0.00 0.00 41.25 39.84 1x2q s ASN 57 CO -0.00 -0.96 1.42 0.00 -2.94 0.00 0.00 177.10 174.62 1x2q n HIS 58 N -0.31 -0.00 -0.25 1.54 1.44 -1.26 0.20 115.22 116.58 1x2q n HIS 58 Ca 0.00 1.13 0.05 0.00 -2.01 0.00 0.00 57.72 56.89 1x2q n HIS 58 Cb 0.64 -0.82 0.18 0.00 0.12 0.00 0.00 29.99 30.11 1x2q n HIS 58 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1x2q h ARG 59 N 0.00 0.41 0.00 -1.40 3.08 -1.96 -3.48 114.38 111.03 1x2q h ARG 59 Ca 0.31 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1x2q h ARG 59 Cb 0.54 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1x2q h ARG 59 CO -0.91 0.27 0.00 0.41 -1.07 0.00 0.00 179.97 178.68 1x2q n GLY 60 N -1.32 0.13 3.94 0.04 0.00 0.53 -5.11 105.19 103.40 1x2q n GLY 60 Ca 0.14 -1.29 -0.20 0.00 0.00 0.00 0.00 46.02 44.66 1x2q n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x2q s ILE 61 N -3.57 4.37 0.00 -0.61 1.09 -1.26 0.76 121.20 121.98 1x2q s ILE 61 Ca 0.00 -1.11 0.00 0.00 -1.10 0.00 0.00 60.65 58.44 1x2q s ILE 61 Cb 0.00 -3.50 0.00 0.00 -1.06 0.00 0.00 42.46 37.90 1x2q s ILE 61 CO 0.00 -0.23 0.00 0.61 -0.10 0.00 0.00 174.94 175.22 1x2q n GLY 62 N -1.47 1.49 3.82 6.18 0.00 -1.17 -4.72 105.19 109.32 1x2q n GLY 62 Ca -0.04 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 1x2q n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x2q s LEU 63 N 0.00 4.43 0.15 0.99 2.01 -1.22 -3.65 118.68 121.38 1x2q s LEU 63 Ca 0.00 1.27 -0.24 0.00 0.01 0.00 0.00 54.13 55.17 1x2q s LEU 63 Cb 0.00 -3.21 0.07 0.00 0.01 0.00 0.00 46.19 43.06 1x2q s LEU 63 CO 0.00 0.16 0.74 0.72 1.01 0.00 0.00 176.35 178.98 1x2q s PHE 64 N -1.33 -0.36 0.38 0.29 -0.71 -1.00 0.20 117.98 115.45 1x2q s PHE 64 Ca 0.36 0.10 -0.25 0.00 -1.04 0.00 0.00 56.93 56.10 1x2q s PHE 64 Cb -0.18 0.60 -0.09 0.00 -1.21 0.00 0.00 43.02 42.14 1x2q s PHE 64 CO 0.20 -0.86 1.06 -1.25 -1.34 0.00 0.00 175.22 173.03 1x2q s PRO 65 N -3.58 4.24 0.00 1.99 0.04 -1.26 0.10 135.00 136.54 1x2q s PRO 65 Ca 0.06 1.56 0.28 0.00 0.04 0.00 0.00 61.00 62.94 1x2q s PRO 65 Cb -0.02 -2.65 1.07 0.00 0.04 0.00 0.00 34.50 32.94 1x2q s PRO 65 CO -0.06 -0.09 1.76 -1.13 0.04 0.00 0.00 177.00 177.53 1x2q n SER 66 N 0.14 0.75 -1.17 6.66 3.41 -1.26 -3.35 113.62 118.80 1x2q n SER 66 Ca 0.04 -0.80 0.06 0.00 -0.26 0.00 0.00 58.87 57.91 1x2q n SER 66 Cb 0.49 0.01 0.24 0.00 -0.26 0.00 0.00 64.21 64.68 1x2q n SER 66 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1x2q n ASN 67 N -0.73 3.38 -0.02 4.04 3.02 -1.26 -3.72 115.26 119.97 1x2q n ASN 67 Ca 0.14 -2.34 -0.01 0.00 -0.03 0.00 0.00 54.58 52.34 1x2q n ASN 67 Cb 0.30 -0.49 -0.05 0.00 -0.61 0.00 0.00 39.78 38.93 1x2q n ASN 67 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1x2q n PHE 68 N 0.60 0.00 -3.18 3.10 3.01 -1.21 -4.98 117.46 114.80 1x2q n PHE 68 Ca 0.17 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.42 1x2q n PHE 68 Cb 0.66 -0.27 0.06 0.00 -0.01 0.00 0.00 39.48 39.91 1x2q n PHE 68 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1x2q s VAL 69 N -2.26 1.97 0.02 -4.37 -7.23 -1.24 0.18 120.40 107.47 1x2q s VAL 69 Ca -0.03 -1.08 0.01 0.00 -1.81 0.00 0.00 61.98 59.07 1x2q s VAL 69 Cb 0.03 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.90 1x2q s VAL 69 CO 0.28 0.00 -0.04 0.28 -0.31 0.00 0.00 175.10 175.31 1x2q s THR 70 N -2.72 0.26 -0.17 5.32 -1.32 -0.17 -4.72 115.64 112.13 1x2q s THR 70 Ca 0.58 -0.64 -0.06 0.00 -1.21 0.00 0.00 61.69 60.36 1x2q s THR 70 Cb -0.05 -0.32 -0.19 0.00 -1.51 0.00 0.00 72.50 70.43 1x2q s THR 70 CO 0.36 -0.25 3.41 0.35 -2.21 0.00 0.00 174.62 176.29 1x2q n THR 71 N 2.12 3.14 -3.15 5.08 -2.24 -1.26 -2.01 114.28 115.97 1x2q n THR 71 Ca -0.19 -1.89 0.05 0.00 -2.27 0.00 0.00 64.05 59.75 1x2q n THR 71 Cb 0.57 -1.94 -0.01 0.00 -2.10 0.00 0.00 70.33 66.85 1x2q n THR 71 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1x2q s ASN 72 N 1.64 -0.80 -0.01 3.42 2.47 -1.26 -5.06 114.94 115.34 1x2q s ASN 72 Ca 0.65 0.28 -0.23 0.00 0.42 0.00 0.00 52.86 53.98 1x2q s ASN 72 Cb 0.33 1.58 -0.15 0.00 -1.45 0.00 0.00 41.25 41.56 1x2q s ASN 72 CO -0.05 -0.15 1.04 -0.07 -3.72 0.00 0.00 177.10 174.15 1x2q h LEU 73 N 7.76 -0.43 -7.64 3.21 3.38 -1.87 -3.40 115.31 116.32 1x2q h LEU 73 Ca -0.11 -0.13 0.11 0.00 0.09 0.00 0.00 57.88 57.84 1x2q h LEU 73 Cb 1.18 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.96 1x2q h LEU 73 CO 0.00 -0.02 0.37 0.20 0.09 0.00 0.00 178.44 179.08 1x2q s ASN 74 N -4.99 -0.27 -1.05 -0.43 0.01 -1.26 -4.89 114.94 102.05 1x2q s ASN 74 Ca -0.13 -0.39 -0.21 0.00 -0.71 0.00 0.00 52.86 51.42 1x2q s ASN 74 Cb 0.01 0.57 0.07 0.00 0.41 0.00 0.00 41.25 42.32 1x2q s ASN 74 CO 0.45 -1.03 1.44 -0.63 -1.51 0.00 0.00 177.10 175.82 1x2q s ILE 75 N -3.54 4.11 0.02 0.60 -1.09 -1.26 -4.82 121.20 115.23 1x2q s ILE 75 Ca 0.10 -1.12 -0.26 0.00 -2.23 0.00 0.00 60.65 57.14 1x2q s ILE 75 Cb -0.03 -5.03 -0.17 0.00 -1.58 0.00 0.00 42.46 35.65 1x2q s ILE 75 CO 0.01 -1.88 1.31 -0.33 -1.23 0.00 0.00 174.94 172.82 1x2q h GLU 76 N 9.23 -0.49 -4.63 2.79 5.08 -2.03 -3.49 114.58 121.05 1x2q h GLU 76 Ca 0.23 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1x2q h GLU 76 Cb 0.99 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1x2q h GLU 76 CO 1.38 -0.19 -0.96 2.41 -1.00 0.00 0.00 179.01 180.65 1x2q n THR 77 N -5.20-13.28 -1.74 1.13 -1.04 -1.26 -4.91 114.28 87.98 1x2q n THR 77 Ca -0.10 3.22 0.00 0.00 -2.04 0.00 0.00 64.05 65.12 1x2q n THR 77 Cb 0.27 -5.83 0.00 0.00 -1.82 0.00 0.00 70.33 62.95 1x2q n THR 77 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1x2q n GLU 78 N 1.90 -4.73 -2.71 -2.82 1.02 -1.26 -5.05 120.64 106.99 1x2q n GLU 78 Ca 0.00 3.41 -0.05 0.00 -0.02 0.00 0.00 57.16 60.51 1x2q n GLU 78 Cb 0.00 -3.69 0.04 0.00 -0.02 0.00 0.00 31.44 27.78 1x2q n GLU 78 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x2q n ALA 79 N 0.96 -2.82 -2.06 0.62 0.00 -1.26 -5.16 120.51 110.79 1x2q n ALA 79 Ca 0.00 -0.58 -0.31 0.00 0.00 0.00 0.00 53.44 52.56 1x2q n ALA 79 Cb 0.00 -2.48 -0.02 0.00 0.00 0.00 0.00 19.45 16.95 1x2q n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x2q s ALA 80 N 0.66 3.25 -0.30 0.00 0.00 -1.26 -5.06 121.76 119.04 1x2q s ALA 80 Ca 0.27 -0.11 -0.14 0.00 0.00 0.00 0.00 51.96 51.98 1x2q s ALA 80 Cb 0.14 -2.85 0.18 0.00 0.00 0.00 0.00 23.12 20.59 1x2q s ALA 80 CO -0.12 -0.19 1.12 0.00 0.00 0.00 0.00 175.76 176.58 1x2q s ALA 81 N -2.57 -3.96 -0.00 0.00 0.00 -1.26 -5.16 121.76 108.80 1x2q s ALA 81 Ca 0.53 1.36 0.02 0.00 0.00 0.00 0.00 51.96 53.88 1x2q s ALA 81 Cb -0.10 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 1x2q s ALA 81 CO 0.35 -1.81 -0.02 0.14 0.00 0.00 0.00 175.76 174.43 1x2q s VAL 82 N 2.97 4.01 0.22 0.00 -7.23 -1.26 -5.12 120.40 114.00 1x2q s VAL 82 Ca 0.12 -0.63 -0.09 0.00 -1.81 0.00 0.00 61.98 59.56 1x2q s VAL 82 Cb -0.05 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 34.10 1x2q s VAL 82 CO -0.16 0.39 0.36 -0.44 -0.31 0.00 0.00 175.10 174.95 1x2q s SER 83 N -1.48 -0.01 -0.67 4.85 0.01 -1.26 -5.08 113.70 110.05 1x2q s SER 83 Ca 0.18 -1.00 -0.33 0.00 1.31 0.00 0.00 55.95 56.11 1x2q s SER 83 Cb -0.11 0.51 -0.16 0.00 0.21 0.00 0.00 66.02 66.46 1x2q s SER 83 CO 0.09 -1.02 2.44 0.61 0.41 0.00 0.00 173.24 175.77 1x2q n GLY 84 N -0.32 -0.09 3.80 3.44 0.00 -1.26 -4.88 105.19 105.89 1x2q n GLY 84 Ca -0.02 1.01 -0.34 0.00 0.00 0.00 0.00 46.02 46.67 1x2q n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x2q s PRO 85 N 7.73 3.68 0.03 1.61 0.04 -1.26 -5.07 135.00 141.76 1x2q s PRO 85 Ca 1.20 1.30 0.04 0.00 0.04 0.00 0.00 61.00 63.58 1x2q s PRO 85 Cb -1.01 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.43 1x2q s PRO 85 CO 0.48 -0.52 -0.11 -1.12 0.04 0.00 0.00 177.00 175.76 1x2q s SER 86 N -2.24 1.33 0.57 6.66 0.01 -1.26 -5.08 113.70 113.69 1x2q s SER 86 Ca 0.66 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1x2q s SER 86 Cb -0.16 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1x2q s SER 86 CO 0.25 -0.00 0.00 -1.20 0.41 0.00 0.00 173.24 172.70 1x2q n SER 87 N 2.03 -7.16 0.00 2.44 7.64 -1.26 -5.29 113.62 112.01 1x2q n SER 87 Ca -0.18 1.34 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1x2q n SER 87 Cb 0.55 -4.72 0.00 0.00 -1.01 0.00 0.00 64.21 59.03 1x2q n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64