#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2q s SER 2 N 0.00 -0.66 -0.00 1.61 0.15 -1.26 -5.05 113.70 108.48 1x2q s SER 2 Ca 0.00 -0.46 -0.06 0.00 0.70 0.00 0.00 55.95 56.13 1x2q s SER 2 Cb 0.00 0.85 -0.02 0.00 -1.71 0.00 0.00 66.02 65.14 1x2q s SER 2 CO 0.00 -0.06 -0.12 -1.54 1.20 0.00 0.00 173.24 172.72 1x2q n SER 3 N 3.56 1.36 0.00 5.45 3.41 -1.26 -5.05 113.62 121.08 1x2q n SER 3 Ca 0.09 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1x2q n SER 3 Cb 0.62 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1x2q n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x2q n GLY 4 N 2.78 1.99 2.52 5.00 0.00 -1.26 -3.90 105.19 112.32 1x2q n GLY 4 Ca -0.06 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1x2q n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x2q s SER 5 N -3.88 2.78 -0.33 1.61 1.04 -1.26 -5.00 113.70 108.66 1x2q s SER 5 Ca 0.00 -2.59 -0.08 0.00 0.48 0.00 0.00 55.95 53.76 1x2q s SER 5 Cb 0.00 -0.60 0.20 0.00 0.10 0.00 0.00 66.02 65.73 1x2q s SER 5 CO 0.00 -0.25 1.08 -0.55 0.98 0.00 0.00 173.24 174.50 1x2q s SER 6 N 0.53 -0.30 -0.92 7.02 0.15 -1.25 -5.09 113.70 113.84 1x2q s SER 6 Ca 0.22 -0.26 -0.24 0.00 0.70 0.00 0.00 55.95 56.37 1x2q s SER 6 Cb -0.15 0.39 0.01 0.00 -1.71 0.00 0.00 66.02 64.55 1x2q s SER 6 CO -0.06 -0.02 1.65 -0.83 1.20 0.00 0.00 173.24 175.19 1x2q s GLY 7 N 1.42 0.73 -0.02 9.45 0.00 -1.26 -4.85 107.32 112.79 1x2q s GLY 7 Ca 0.20 -1.77 -0.30 0.00 0.00 0.00 0.00 44.72 42.84 1x2q s GLY 7 CO -0.13 3.04 1.10 -1.35 0.00 0.00 0.00 173.10 175.77 1x2q s SER 8 N 6.26 -0.17 0.81 1.64 1.04 -1.26 -5.16 113.70 116.86 1x2q s SER 8 Ca 0.56 -0.14 -0.12 0.00 0.48 0.00 0.00 55.95 56.73 1x2q s SER 8 Cb -0.04 0.28 0.09 0.00 0.10 0.00 0.00 66.02 66.45 1x2q s SER 8 CO -0.02 -0.50 1.17 -1.61 0.98 0.00 0.00 173.24 173.26 1x2q s GLU 9 N -2.78 1.69 0.89 4.02 2.02 -1.26 -4.92 118.70 118.36 1x2q s GLU 9 Ca 0.10 1.60 -0.16 0.00 0.02 0.00 0.00 54.97 56.53 1x2q s GLU 9 Cb 0.01 -1.80 -0.08 0.00 0.10 0.00 0.00 34.13 32.36 1x2q s GLU 9 CO -0.04 -2.14 -0.19 0.44 0.02 0.00 0.00 175.26 173.35 1x2q n ILE 10 N -3.45 0.26 -0.05 -1.63 -5.35 -1.26 -4.95 119.36 102.93 1x2q n ILE 10 Ca 0.12 -0.39 -0.02 0.00 -0.27 0.00 0.00 62.75 62.19 1x2q n ILE 10 Cb 0.51 -0.29 -0.01 0.00 -1.74 0.00 0.00 39.64 38.12 1x2q n ILE 10 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1x2q h GLN 11 N -0.97 0.00 -6.51 6.28 7.50 -2.02 -3.46 115.11 115.94 1x2q h GLN 11 Ca -0.44 0.00 -0.58 0.00 0.50 0.00 0.00 58.65 58.13 1x2q h GLN 11 Cb 1.32 0.00 0.05 0.00 0.05 0.00 0.00 27.48 28.90 1x2q h GLN 11 CO 0.31 0.00 0.84 -0.11 -1.50 0.00 0.00 178.83 178.37 1x2q n LEU 12 N -4.34 3.22 -4.09 1.46 7.94 -1.26 -4.97 117.00 114.96 1x2q n LEU 12 Ca -0.03 1.07 -0.10 0.00 -1.11 0.00 0.00 56.01 55.84 1x2q n LEU 12 Cb 0.11 -1.44 -0.09 0.00 0.53 0.00 0.00 43.42 42.54 1x2q n LEU 12 CO 0.05 -0.22 -0.18 0.20 -1.11 0.00 0.00 177.39 176.13 1x2q s ASN 13 N 1.17 0.18 0.22 1.96 -0.87 -1.26 -5.17 114.94 111.18 1x2q s ASN 13 Ca 0.79 -1.11 0.05 0.00 -1.57 0.00 0.00 52.86 51.03 1x2q s ASN 13 Cb -0.66 0.37 -0.03 0.00 -0.02 0.00 0.00 41.25 40.90 1x2q s ASN 13 CO 0.38 -0.82 0.28 0.21 -2.57 0.00 0.00 177.10 174.58 1x2q s ASN 14 N -3.04 6.00 0.23 -1.22 2.47 -1.26 -4.92 114.94 113.19 1x2q s ASN 14 Ca 0.24 -0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.48 1x2q s ASN 14 Cb 0.06 -1.69 0.00 0.00 -1.45 0.00 0.00 41.25 38.17 1x2q s ASN 14 CO 0.03 -0.03 0.00 0.29 -3.72 0.00 0.00 177.10 173.67 1x2q n LYS 15 N -1.11 -5.32 -3.45 0.43 5.02 -1.26 -4.90 118.16 107.57 1x2q n LYS 15 Ca -0.08 3.80 -0.40 0.00 -2.02 0.00 0.00 58.31 59.61 1x2q n LYS 15 Cb 0.57 -4.07 -0.10 0.00 -0.02 0.00 0.00 35.03 31.41 1x2q n LYS 15 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1x2q s VAL 16 N -0.71 5.21 0.69 -0.18 -7.23 -1.26 -5.07 120.40 111.85 1x2q s VAL 16 Ca 0.00 0.22 -0.11 0.00 -1.81 0.00 0.00 61.98 60.27 1x2q s VAL 16 Cb 0.00 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.23 1x2q s VAL 16 CO 0.00 0.07 1.08 0.00 -0.31 0.00 0.00 175.10 175.94 1x2q s ALA 17 N 1.95 2.91 -0.74 1.32 0.00 -1.26 -4.97 121.76 120.97 1x2q s ALA 17 Ca 0.11 -0.24 -0.27 0.00 0.00 0.00 0.00 51.96 51.56 1x2q s ALA 17 Cb -0.16 -3.05 0.03 0.00 0.00 0.00 0.00 23.12 19.93 1x2q s ALA 17 CO 0.11 -1.04 1.28 0.50 0.00 0.00 0.00 175.76 176.61 1x2q s ARG 18 N -5.28 3.19 0.28 0.00 3.52 -1.23 -4.94 118.95 114.48 1x2q s ARG 18 Ca 0.57 -0.23 -0.13 0.00 -0.13 0.00 0.00 55.73 55.81 1x2q s ARG 18 Cb -0.11 -4.18 -0.08 0.00 -1.56 0.00 0.00 34.95 29.01 1x2q s ARG 18 CO 0.53 -2.15 0.66 0.15 -0.81 0.00 0.00 175.30 173.67 1x2q s LYS 19 N 5.75 3.93 -0.05 5.12 1.02 -1.26 0.19 119.74 134.44 1x2q s LYS 19 Ca 0.35 0.52 -0.11 0.00 0.02 0.00 0.00 55.97 56.75 1x2q s LYS 19 Cb -0.08 -2.54 0.02 0.00 -0.52 0.00 0.00 37.83 34.71 1x2q s LYS 19 CO 0.15 0.24 0.27 0.14 -0.92 0.00 0.00 175.35 175.22 1x2q s VAL 20 N -1.89 0.04 -0.23 3.17 -7.23 0.79 -4.40 120.40 110.65 1x2q s VAL 20 Ca 0.51 -0.34 -0.08 0.00 -1.81 0.00 0.00 61.98 60.25 1x2q s VAL 20 Cb -0.11 -0.50 -0.04 0.00 0.56 0.00 0.00 36.38 36.29 1x2q s VAL 20 CO 0.19 -0.19 0.10 -0.60 -0.31 0.00 0.00 175.10 174.29 1x2q s ARG 21 N -0.78 3.85 0.12 4.82 3.52 -0.90 0.82 118.95 130.40 1x2q s ARG 21 Ca -0.09 -0.38 -0.31 0.00 -0.13 0.00 0.00 55.73 54.82 1x2q s ARG 21 Cb -0.04 -3.38 -0.10 0.00 -1.56 0.00 0.00 34.95 29.86 1x2q s ARG 21 CO 0.02 -0.02 1.76 0.00 -0.81 0.00 0.00 175.30 176.24 1x2q s ALA 22 N 1.22 3.76 -0.07 6.12 0.00 0.77 -0.94 121.76 132.61 1x2q s ALA 22 Ca 0.05 1.39 -0.12 0.00 0.00 0.00 0.00 51.96 53.28 1x2q s ALA 22 Cb -0.14 -3.73 -0.29 0.00 0.00 0.00 0.00 23.12 18.96 1x2q s ALA 22 CO 0.04 -1.14 0.60 -0.07 0.00 0.00 0.00 175.76 175.20 1x2q h LEU 23 N 8.32 0.52 -9.70 0.00 3.38 0.12 0.45 115.31 118.39 1x2q h LEU 23 Ca -0.45 -0.91 -0.63 0.00 0.09 0.00 0.00 57.88 55.99 1x2q h LEU 23 Cb 1.21 -0.17 -0.13 0.00 0.09 0.00 0.00 40.66 41.66 1x2q h LEU 23 CO 0.94 1.73 -0.58 -0.31 0.09 0.00 0.00 178.44 180.32 1x2q s TYR 24 N -2.54 2.30 -0.11 1.13 2.02 -1.21 -4.63 117.35 114.31 1x2q s TYR 24 Ca -0.18 -0.78 -0.20 0.00 -0.37 0.00 0.00 57.07 55.54 1x2q s TYR 24 Cb 0.05 -1.68 -0.04 0.00 -0.40 0.00 0.00 41.96 39.89 1x2q s TYR 24 CO 0.81 0.34 0.57 0.16 -1.57 0.00 0.00 175.55 175.87 1x2q s ASP 25 N -3.73 6.79 0.41 2.29 -4.77 -1.26 -2.96 116.67 113.43 1x2q s ASP 25 Ca 0.28 0.94 0.05 0.00 -3.30 0.00 0.00 52.55 50.53 1x2q s ASP 25 Cb 0.08 -2.34 -0.06 0.00 -1.09 0.00 0.00 42.92 39.51 1x2q s ASP 25 CO 0.14 -0.07 0.03 0.12 0.70 0.00 0.00 175.17 176.08 1x2q s PHE 26 N 0.85 2.26 -0.30 2.11 2.19 0.32 -4.91 117.98 120.50 1x2q s PHE 26 Ca 0.30 -0.81 -0.09 0.00 0.33 0.00 0.00 56.93 56.66 1x2q s PHE 26 Cb -0.16 -1.61 0.15 0.00 -1.31 0.00 0.00 43.02 40.09 1x2q s PHE 26 CO 0.13 0.28 0.73 -2.00 1.83 0.00 0.00 175.22 176.20 1x2q s GLU 27 N -3.78 0.49 -0.20 10.12 2.12 -1.26 -3.45 118.70 122.75 1x2q s GLU 27 Ca 0.30 1.14 -0.40 0.00 0.36 0.00 0.00 54.97 56.37 1x2q s GLU 27 Cb 0.08 0.67 -0.16 0.00 0.26 0.00 0.00 34.13 34.98 1x2q s GLU 27 CO 0.15 -0.28 1.62 0.00 -0.54 0.00 0.00 175.26 176.21 1x2q n ALA 28 N 5.35 -0.58 -0.03 6.30 0.00 -1.19 -4.83 120.51 125.53 1x2q n ALA 28 Ca -0.09 0.43 -0.15 0.00 0.00 0.00 0.00 53.44 53.63 1x2q n ALA 28 Cb 0.50 -2.15 -0.14 0.00 0.00 0.00 0.00 19.45 17.66 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 3.97 1.65 -2.42 0.00 3.14 -1.26 -4.96 118.33 118.46 1x2q n VAL 29 Ca 0.25 -0.72 -0.07 0.00 -2.96 0.00 0.00 64.34 60.84 1x2q n VAL 29 Cb 0.13 -1.33 0.03 0.00 -1.06 0.00 0.00 33.84 31.61 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 -3.23 0.45 -0.89 1.45 1.02 -1.26 -4.98 120.64 113.19 1x2q n GLU 30 Ca -0.28 -0.82 -0.06 0.00 -0.02 0.00 0.00 57.16 55.98 1x2q n GLU 30 Cb 1.05 -0.19 0.26 0.00 -0.02 0.00 0.00 31.44 32.55 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 -2.96 4.41 -2.72 1.62 9.92 -1.26 -4.23 116.55 121.33 1x2q n ASP 31 Ca 0.05 -3.05 -0.08 0.00 -0.53 0.00 0.00 54.79 51.18 1x2q n ASP 31 Cb 0.18 -0.72 0.10 0.00 -0.64 0.00 0.00 41.12 40.04 1x2q n ASP 31 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1x2q n ASN 32 N -0.11 -2.13 -4.13 -2.24 5.15 -1.26 -5.14 115.26 105.40 1x2q n ASN 32 Ca 0.36 -3.17 -0.21 0.00 -0.60 0.00 0.00 54.58 50.95 1x2q n ASN 32 Cb 1.26 1.59 -0.09 0.00 -0.53 0.00 0.00 39.78 42.00 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 0.23 1.69 -0.19 1.20 2.02 -1.26 -3.96 118.70 118.43 1x2q s GLU 33 Ca 0.21 -1.98 -0.08 0.00 0.02 0.00 0.00 54.97 53.14 1x2q s GLU 33 Cb 0.32 -0.40 -0.04 0.00 0.10 0.00 0.00 34.13 34.10 1x2q s GLU 33 CO -0.07 -0.40 0.09 -1.17 0.02 0.00 0.00 175.26 173.73 1x2q s LEU 34 N -3.46 3.99 -0.25 1.80 0.20 0.54 -4.07 118.68 117.43 1x2q s LEU 34 Ca 0.32 0.15 -0.06 0.00 0.69 0.00 0.00 54.13 55.24 1x2q s LEU 34 Cb 0.05 -2.02 -0.01 0.00 -0.43 0.00 0.00 46.19 43.79 1x2q s LEU 34 CO 0.16 0.19 0.02 -0.89 -0.29 0.00 0.00 176.35 175.54 1x2q s THR 35 N 0.31 3.78 0.28 3.68 2.01 -1.26 -3.17 115.64 121.28 1x2q s THR 35 Ca 0.05 -0.48 -0.15 0.00 0.31 0.00 0.00 61.69 61.42 1x2q s THR 35 Cb -0.12 -2.81 0.01 0.00 0.01 0.00 0.00 72.50 69.59 1x2q s THR 35 CO -0.01 0.29 0.60 0.72 -0.69 0.00 0.00 174.62 175.54 1x2q s PHE 36 N 1.52 0.19 0.47 4.92 -0.12 -1.22 -4.78 117.98 118.95 1x2q s PHE 36 Ca 0.05 -0.62 0.02 0.00 -0.05 0.00 0.00 56.93 56.33 1x2q s PHE 36 Cb -0.15 0.43 -0.02 0.00 -0.63 0.00 0.00 43.02 42.65 1x2q s PHE 36 CO 0.00 -1.16 0.05 0.15 -0.05 0.00 0.00 175.22 174.20 1x2q s LYS 37 N -3.69 2.08 0.53 1.99 1.02 -1.26 -0.52 119.74 119.89 1x2q s LYS 37 Ca 0.18 -2.30 -0.21 0.00 0.02 0.00 0.00 55.97 53.66 1x2q s LYS 37 Cb -0.03 -1.21 -0.05 0.00 -0.52 0.00 0.00 37.83 36.02 1x2q s LYS 37 CO 0.10 -0.38 1.23 -3.38 -0.92 0.00 0.00 175.35 171.99 1x2q s HIS 38 N -2.99 2.54 0.00 3.18 -3.43 -1.16 -2.99 115.29 110.45 1x2q s HIS 38 Ca 0.14 1.49 0.00 0.00 -0.80 0.00 0.00 55.06 55.89 1x2q s HIS 38 Cb 0.02 -3.51 0.00 0.00 -1.43 0.00 0.00 32.58 27.66 1x2q s HIS 38 CO 0.08 -2.11 0.00 0.41 -2.00 0.00 0.00 174.74 171.12 1x2q n GLY 39 N 0.52 1.89 3.47 -1.38 0.00 0.16 -4.94 105.19 104.90 1x2q n GLY 39 Ca 0.11 -0.25 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 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 0.62 -3.62 1.61 1.02 -1.16 -4.16 120.64 114.95 1x2q n GLU 40 Ca 0.00 0.22 -0.33 0.00 -0.02 0.00 0.00 57.16 57.03 1x2q n GLU 40 Cb 0.00 -1.46 -0.05 0.00 -0.02 0.00 0.00 31.44 29.91 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 -1.27 5.13 -0.04 -3.67 -1.09 -1.26 -0.17 121.20 118.82 1x2q s ILE 41 Ca 0.62 0.24 -0.00 0.00 -2.23 0.00 0.00 60.65 59.28 1x2q s ILE 41 Cb -0.70 -3.63 0.03 0.00 -1.58 0.00 0.00 42.46 36.58 1x2q s ILE 41 CO 0.58 0.15 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.81 1x2q s ILE 42 N -1.55 0.30 -0.48 2.92 1.09 0.24 -4.52 121.20 119.20 1x2q s ILE 42 Ca 0.38 0.07 -0.22 0.00 -1.10 0.00 0.00 60.65 59.77 1x2q s ILE 42 Cb -0.13 -0.41 0.04 0.00 -1.06 0.00 0.00 42.46 40.90 1x2q s ILE 42 CO 0.21 0.20 0.74 -0.63 -0.10 0.00 0.00 174.94 175.36 1x2q s ILE 43 N 1.32 4.70 -0.02 2.92 1.09 0.48 -0.15 121.20 131.54 1x2q s ILE 43 Ca -0.05 0.07 -0.30 0.00 -1.10 0.00 0.00 60.65 59.26 1x2q s ILE 43 Cb -0.13 -4.33 -0.05 0.00 -1.06 0.00 0.00 42.46 36.89 1x2q s ILE 43 CO -0.02 -0.80 1.30 -0.69 -0.10 0.00 0.00 174.94 174.63 1x2q s VAL 44 N 3.14 3.96 -0.24 2.92 1.01 0.49 0.18 120.40 131.86 1x2q s VAL 44 Ca 0.24 1.32 -0.06 0.00 0.00 0.00 0.00 61.98 63.49 1x2q s VAL 44 Cb -0.15 -3.85 -0.17 0.00 0.00 0.00 0.00 36.38 32.21 1x2q s VAL 44 CO 0.18 0.00 -0.14 0.18 0.00 0.00 0.00 175.10 175.32 1x2q n LEU 45 N 5.23 2.56 -3.94 3.92 4.77 0.20 -3.49 117.00 126.25 1x2q n LEU 45 Ca 0.12 0.09 -0.19 0.00 -0.03 0.00 0.00 56.01 56.00 1x2q n LEU 45 Cb 0.45 -0.92 -0.16 0.00 -2.33 0.00 0.00 43.42 40.46 1x2q n LEU 45 CO 0.57 0.78 -0.41 -1.81 -1.33 0.00 0.00 177.39 175.18 1x2q s ASP 46 N -6.90 0.88 -0.10 -1.43 1.11 -0.07 -5.01 116.67 105.14 1x2q s ASP 46 Ca -0.34 -0.13 0.17 0.00 0.18 0.00 0.00 52.55 52.43 1x2q s ASP 46 Cb 0.10 -0.29 0.37 0.00 1.07 0.00 0.00 42.92 44.18 1x2q s ASP 46 CO 0.59 0.01 1.17 -0.90 1.18 0.00 0.00 175.17 177.23 1x2q n ASP 47 N 3.51 1.35 -0.23 0.27 5.75 -1.26 -1.28 116.55 124.65 1x2q n ASP 47 Ca -0.20 -2.92 -0.02 0.00 -0.01 0.00 0.00 54.79 51.64 1x2q n ASP 47 Cb 0.54 -0.40 0.05 0.00 -1.03 0.00 0.00 41.12 40.28 1x2q n ASP 47 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1x2q h SER 48 N 0.81 -0.89 -1.85 -1.12 0.02 -1.95 -3.40 113.55 105.17 1x2q h SER 48 Ca -0.09 0.22 -0.44 0.00 -0.84 0.00 0.00 61.79 60.65 1x2q h SER 48 Cb 1.38 0.51 0.01 0.00 0.14 0.00 0.00 62.40 64.44 1x2q h SER 48 CO 0.04 -0.27 -0.29 -1.81 -1.14 0.00 0.00 176.83 173.36 1x2q s ASP 49 N -5.21 5.88 -0.14 3.07 1.11 -1.26 -5.03 116.67 115.09 1x2q s ASP 49 Ca -0.14 -0.18 0.15 0.00 0.18 0.00 0.00 52.55 52.56 1x2q s ASP 49 Cb 0.19 -1.15 -0.21 0.00 1.07 0.00 0.00 42.92 42.82 1x2q s ASP 49 CO 0.72 -0.54 0.10 0.00 1.18 0.00 0.00 175.17 176.64 1x2q n ALA 50 N -1.74 1.74 0.12 5.23 0.00 -1.26 -4.53 120.51 120.07 1x2q n ALA 50 Ca 0.02 -0.98 -0.13 0.00 0.00 0.00 0.00 53.44 52.34 1x2q n ALA 50 Cb 0.58 -0.16 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 1x2q n ALA 50 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1x2q h ASN 51 N 0.00 -0.27 -3.80 0.00 2.35 -1.96 -3.34 115.58 108.56 1x2q h ASN 51 Ca -0.38 -0.21 -0.68 0.00 -0.55 0.00 0.00 56.30 54.47 1x2q h ASN 51 Cb 1.84 0.07 -0.24 0.00 0.05 0.00 0.00 38.32 40.04 1x2q h ASN 51 CO 0.02 0.09 -0.76 0.26 -1.65 0.00 0.00 177.43 175.39 1x2q s TRP 52 N -4.69 2.75 -0.07 1.19 0.52 -1.26 -4.08 118.94 113.30 1x2q s TRP 52 Ca -0.14 -0.29 0.04 0.00 0.02 0.00 0.00 56.10 55.73 1x2q s TRP 52 Cb 0.02 -1.70 0.00 0.00 -1.15 0.00 0.00 33.47 30.65 1x2q s TRP 52 CO 0.57 0.08 -0.19 -1.58 0.02 0.00 0.00 176.95 175.85 1x2q s TRP 53 N -0.41 1.96 -0.48 -1.98 0.52 0.46 -4.20 118.94 114.81 1x2q s TRP 53 Ca 0.05 -0.68 -0.17 0.00 0.02 0.00 0.00 56.10 55.31 1x2q s TRP 53 Cb -0.12 -1.33 0.06 0.00 -1.15 0.00 0.00 33.47 30.92 1x2q s TRP 53 CO 0.02 -0.27 0.49 0.21 0.02 0.00 0.00 176.95 177.43 1x2q s LYS 54 N 0.26 3.06 0.37 4.98 2.20 -0.41 -1.52 119.74 128.68 1x2q s LYS 54 Ca -0.11 -1.05 0.04 0.00 -0.36 0.00 0.00 55.97 54.49 1x2q s LYS 54 Cb -0.15 -4.09 -0.03 0.00 -1.51 0.00 0.00 37.83 32.06 1x2q s LYS 54 CO 0.05 -1.07 0.14 0.20 -0.36 0.00 0.00 175.35 174.31 1x2q s GLY 55 N 2.48 2.41 0.05 5.54 0.00 -1.16 0.58 107.32 117.23 1x2q s GLY 55 Ca 0.10 -1.50 0.05 0.00 0.00 0.00 0.00 44.72 43.37 1x2q s GLY 55 CO 0.10 -1.75 -0.14 1.85 0.00 0.00 0.00 173.10 173.16 1x2q s GLU 56 N -3.73 0.89 0.22 2.90 -6.30 0.47 -2.54 118.70 110.61 1x2q s GLU 56 Ca 0.29 -0.82 -0.08 0.00 -2.50 0.00 0.00 54.97 51.86 1x2q s GLU 56 Cb 0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 34.13 33.24 1x2q s GLU 56 CO 0.16 0.22 0.33 0.54 0.02 0.00 0.00 175.26 176.52 1x2q s ASN 57 N -1.34 0.01 0.18 -1.70 2.20 0.21 0.18 114.94 114.69 1x2q s ASN 57 Ca 0.00 -1.10 -0.18 0.00 -0.94 0.00 0.00 52.86 50.64 1x2q s ASN 57 Cb -0.09 0.49 0.15 0.00 -2.00 0.00 0.00 41.25 39.80 1x2q s ASN 57 CO 0.02 -1.00 1.34 1.57 -2.94 0.00 0.00 177.10 176.08 1x2q n HIS 58 N -0.32 -0.07 -0.17 1.54 -0.00 -1.26 0.16 115.22 115.10 1x2q n HIS 58 Ca -0.01 1.07 -0.02 0.00 -0.00 0.00 0.00 57.72 58.76 1x2q n HIS 58 Cb 0.64 -0.76 0.05 0.00 -0.00 0.00 0.00 29.99 29.92 1x2q n HIS 58 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1x2q h ARG 59 N 0.00 0.05 0.00 1.57 3.08 -1.96 -3.48 114.38 113.65 1x2q h ARG 59 Ca 0.26 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1x2q h ARG 59 Cb 0.48 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1x2q h ARG 59 CO -0.85 0.04 0.00 0.41 -1.07 0.00 0.00 179.97 178.50 1x2q n GLY 60 N -1.35 -0.24 3.93 0.04 0.00 0.42 -5.12 105.19 102.87 1x2q n GLY 60 Ca 0.06 -1.08 -0.21 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.56 4.53 0.00 -0.61 1.09 -1.26 0.64 121.20 122.02 1x2q s ILE 61 Ca 0.00 -1.14 0.00 0.00 -1.10 0.00 0.00 60.65 58.41 1x2q s ILE 61 Cb 0.00 -3.55 0.00 0.00 -1.06 0.00 0.00 42.46 37.85 1x2q s ILE 61 CO 0.00 -0.27 0.00 0.61 -0.10 0.00 0.00 174.94 175.18 1x2q n GLY 62 N -1.41 1.02 3.90 6.18 0.00 -1.05 -4.69 105.19 109.14 1x2q n GLY 62 Ca -0.05 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 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 4.12 -0.07 0.99 2.01 -1.25 -2.96 118.68 121.51 1x2q s LEU 63 Ca 0.00 0.73 -0.31 0.00 0.01 0.00 0.00 54.13 54.56 1x2q s LEU 63 Cb 0.00 -3.53 0.12 0.00 0.01 0.00 0.00 46.19 42.79 1x2q s LEU 63 CO 0.00 -0.13 1.12 0.72 1.01 0.00 0.00 176.35 179.07 1x2q s PHE 64 N -1.96 -0.16 0.22 0.29 -0.71 -0.58 0.20 117.98 115.28 1x2q s PHE 64 Ca 0.44 0.05 -0.30 0.00 -1.04 0.00 0.00 56.93 56.08 1x2q s PHE 64 Cb -0.11 0.54 -0.08 0.00 -1.21 0.00 0.00 43.02 42.16 1x2q s PHE 64 CO 0.27 -0.38 1.10 -1.25 -1.34 0.00 0.00 175.22 173.63 1x2q s PRO 65 N -2.70 4.61 0.00 1.99 0.04 -1.26 0.17 135.00 137.86 1x2q s PRO 65 Ca 0.10 1.76 0.26 0.00 0.04 0.00 0.00 61.00 63.16 1x2q s PRO 65 Cb 0.00 -3.24 1.21 0.00 0.04 0.00 0.00 34.50 32.51 1x2q s PRO 65 CO -0.05 0.12 1.86 -1.13 0.04 0.00 0.00 177.00 177.85 1x2q n SER 66 N 1.94 0.00 -0.57 6.66 3.41 -1.25 -2.53 113.62 121.27 1x2q n SER 66 Ca 0.01 0.26 0.04 0.00 -0.26 0.00 0.00 58.87 58.93 1x2q n SER 66 Cb 0.46 -0.41 0.13 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.41 1.63 -0.20 4.04 3.02 -1.26 -3.18 115.26 117.90 1x2q n ASN 67 Ca 0.09 -2.04 0.04 0.00 -0.03 0.00 0.00 54.58 52.64 1x2q n ASN 67 Cb 0.27 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.31 0.00 -4.58 3.10 3.01 -1.05 -4.95 117.46 113.29 1x2q n PHE 68 Ca 0.09 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.28 1x2q n PHE 68 Cb 0.27 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.66 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 -1.18 1.09 -0.04 -4.37 -7.23 -1.19 0.82 120.40 108.31 1x2q s VAL 69 Ca 0.07 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.25 1x2q s VAL 69 Cb 0.07 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.53 1x2q s VAL 69 CO 0.20 0.00 -0.05 0.28 -0.31 0.00 0.00 175.10 175.22 1x2q s THR 70 N -3.06 0.54 -0.95 5.32 -1.32 -0.11 -4.77 115.64 111.29 1x2q s THR 70 Ca 0.23 -0.15 -0.09 0.00 -1.21 0.00 0.00 61.69 60.47 1x2q s THR 70 Cb 0.05 -0.55 -0.07 0.00 -1.51 0.00 0.00 72.50 70.42 1x2q s THR 70 CO 0.12 0.21 2.13 0.35 -2.21 0.00 0.00 174.62 175.23 1x2q n THR 71 N 3.85 2.47 0.00 5.08 -2.24 -1.26 -2.11 114.28 120.07 1x2q n THR 71 Ca -0.24 -1.59 0.00 0.00 -2.27 0.00 0.00 64.05 59.95 1x2q n THR 71 Cb 0.52 -2.21 0.00 0.00 -2.10 0.00 0.00 70.33 66.54 1x2q n THR 71 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1x2q n ASN 72 N 4.81 0.00 0.14 3.42 2.85 -1.26 -5.05 115.26 120.16 1x2q n ASN 72 Ca 0.48 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.81 1x2q n ASN 72 Cb 0.19 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.15 1x2q n ASN 72 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1x2q h LEU 73 N 0.00 -0.63 -7.00 1.20 3.38 -1.84 -3.42 115.31 107.01 1x2q h LEU 73 Ca 0.00 0.06 0.25 0.00 0.09 0.00 0.00 57.88 58.29 1x2q h LEU 73 Cb 0.00 0.22 -0.23 0.00 0.09 0.00 0.00 40.66 40.75 1x2q h LEU 73 CO 0.00 -0.33 0.88 0.21 0.09 0.00 0.00 178.44 179.29 1x2q s ASN 74 N -4.81 -0.09 -0.27 -0.43 2.47 -1.26 -4.87 114.94 105.68 1x2q s ASN 74 Ca -0.16 0.05 -0.08 0.00 0.42 0.00 0.00 52.86 53.09 1x2q s ASN 74 Cb 0.07 0.08 -0.02 0.00 -1.45 0.00 0.00 41.25 39.94 1x2q s ASN 74 CO 0.65 -0.12 0.09 -0.63 -3.72 0.00 0.00 177.10 173.37 1x2q s ILE 75 N -1.70 4.31 -0.33 -5.21 -1.09 -1.26 -5.06 121.20 110.85 1x2q s ILE 75 Ca 0.09 -0.34 -0.21 0.00 -2.23 0.00 0.00 60.65 57.96 1x2q s ILE 75 Cb -0.01 -3.10 -0.00 0.00 -1.58 0.00 0.00 42.46 37.77 1x2q s ILE 75 CO -0.05 0.22 0.67 -1.61 -1.23 0.00 0.00 174.94 172.95 1x2q s GLU 76 N 1.59 3.81 -0.35 2.79 2.02 -1.26 -4.98 118.70 122.33 1x2q s GLU 76 Ca 0.05 0.26 -0.33 0.00 0.02 0.00 0.00 54.97 54.97 1x2q s GLU 76 Cb -0.16 -3.77 -0.10 0.00 0.10 0.00 0.00 34.13 30.20 1x2q s GLU 76 CO 0.04 -0.68 2.23 0.25 0.02 0.00 0.00 175.26 177.12 1x2q n THR 77 N 5.53 0.20 -2.47 3.63 -2.24 -1.26 -4.83 114.28 112.84 1x2q n THR 77 Ca 0.00 -0.33 -0.41 0.00 -2.27 0.00 0.00 64.05 61.04 1x2q n THR 77 Cb 0.49 -1.89 0.01 0.00 -2.10 0.00 0.00 70.33 66.84 1x2q n THR 77 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1x2q n GLU 78 N 8.39 5.22 -3.09 -0.78 0.28 -1.26 -4.67 120.64 124.73 1x2q n GLU 78 Ca 0.39 -4.36 -0.20 0.00 -0.16 0.00 0.00 57.16 52.84 1x2q n GLU 78 Cb 0.29 -2.51 -0.04 0.00 1.43 0.00 0.00 31.44 30.61 1x2q n GLU 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x2q n ALA 79 N 0.37 1.42 -3.18 -1.84 0.00 -1.26 -5.04 120.51 110.98 1x2q n ALA 79 Ca 0.51 -2.82 -0.44 0.00 0.00 0.00 0.00 53.44 50.68 1x2q n ALA 79 Cb 0.26 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1x2q n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x2q n ALA 80 N 1.66 4.28 -1.45 0.00 0.00 -1.26 -4.93 120.51 118.81 1x2q n ALA 80 Ca 0.19 -4.57 0.00 0.00 0.00 0.00 0.00 53.44 49.06 1x2q n ALA 80 Cb 0.55 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.39 1x2q n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x2q n ALA 81 N 3.28 -1.84 -1.85 0.00 0.00 -1.26 -4.86 120.51 113.98 1x2q n ALA 81 Ca 0.28 0.44 -0.37 0.00 0.00 0.00 0.00 53.44 53.79 1x2q n ALA 81 Cb 0.39 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 1x2q n ALA 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x2q s VAL 82 N -5.13 4.27 0.31 0.00 0.11 -1.26 -5.05 120.40 113.66 1x2q s VAL 82 Ca 0.00 1.74 -0.11 0.00 -2.93 0.00 0.00 61.98 60.68 1x2q s VAL 82 Cb 0.00 -4.02 -0.07 0.00 -1.53 0.00 0.00 36.38 30.75 1x2q s VAL 82 CO 0.00 0.21 0.67 -0.94 -3.33 0.00 0.00 175.10 171.71 1x2q s SER 83 N -1.55 6.63 0.96 3.54 1.04 -1.26 -5.05 113.70 118.02 1x2q s SER 83 Ca 0.47 1.07 -0.13 0.00 0.48 0.00 0.00 55.95 57.84 1x2q s SER 83 Cb -0.19 -2.29 0.04 0.00 0.10 0.00 0.00 66.02 63.67 1x2q s SER 83 CO 0.24 -0.21 0.35 0.61 0.98 0.00 0.00 173.24 175.21 1x2q n GLY 84 N -0.58 -2.10 3.80 7.32 0.00 -1.26 -4.94 105.19 107.43 1x2q n GLY 84 Ca 0.02 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.59 3.74 -0.07 1.61 0.04 -1.26 -5.00 135.00 130.46 1x2q s PRO 85 Ca 0.56 1.33 -0.09 0.00 0.04 0.00 0.00 61.00 62.84 1x2q s PRO 85 Cb -0.20 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 1x2q s PRO 85 CO 0.68 -0.48 0.34 1.03 0.04 0.00 0.00 177.00 178.61 1x2q h SER 86 N 1.38 -0.21 -4.13 6.66 0.87 -2.07 -3.46 113.55 112.60 1x2q h SER 86 Ca -0.49 -0.04 -0.49 0.00 -1.23 0.00 0.00 61.79 59.54 1x2q h SER 86 Cb 1.22 0.05 -0.30 0.00 -0.44 0.00 0.00 62.40 62.94 1x2q h SER 86 CO 0.59 0.28 -0.81 -0.94 -0.53 0.00 0.00 176.83 175.41 1x2q s SER 87 N -5.30 1.66 0.00 6.23 1.04 -1.26 -5.34 113.70 110.73 1x2q s SER 87 Ca -0.05 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1x2q s SER 87 Cb 0.00 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.87 1x2q s SER 87 CO 0.15 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.14