#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 0.30 0.18 1.61 0.01 -1.26 -5.18 113.70 109.37 1x2q s SER 2 Ca 0.00 -1.27 0.05 0.00 1.31 0.00 0.00 55.95 56.04 1x2q s SER 2 Cb 0.00 0.31 -0.05 0.00 0.21 0.00 0.00 66.02 66.50 1x2q s SER 2 CO 0.00 -0.76 -0.09 -0.44 0.41 0.00 0.00 173.24 172.36 1x2q s SER 3 N -3.09 1.99 0.32 2.44 0.01 -1.26 -5.17 113.70 108.95 1x2q s SER 3 Ca 0.29 -1.06 0.05 0.00 1.31 0.00 0.00 55.95 56.54 1x2q s SER 3 Cb 0.07 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.25 1x2q s SER 3 CO 0.05 -0.34 0.32 0.61 0.41 0.00 0.00 173.24 174.30 1x2q n GLY 4 N -0.29 2.76 3.62 3.44 0.00 -1.26 -5.18 105.19 108.27 1x2q n GLY 4 Ca -0.09 -1.82 -0.05 0.00 0.00 0.00 0.00 46.02 44.07 1x2q n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x2q s SER 5 N -3.19 -0.22 0.22 1.61 0.01 -1.26 -5.19 113.70 105.68 1x2q s SER 5 Ca 0.36 -0.16 -0.08 0.00 1.31 0.00 0.00 55.95 57.38 1x2q s SER 5 Cb 0.01 0.35 -0.02 0.00 0.21 0.00 0.00 66.02 66.58 1x2q s SER 5 CO 0.25 -0.61 0.33 -0.94 0.41 0.00 0.00 173.24 172.68 1x2q s SER 6 N -2.67 0.01 -0.30 2.44 1.04 -1.26 -5.16 113.70 107.80 1x2q s SER 6 Ca 0.09 -1.10 -0.18 0.00 0.48 0.00 0.00 55.95 55.25 1x2q s SER 6 Cb -0.00 0.50 0.19 0.00 0.10 0.00 0.00 66.02 66.80 1x2q s SER 6 CO -0.04 -1.01 1.21 -0.83 0.98 0.00 0.00 173.24 173.55 1x2q s GLY 7 N -3.07 0.10 -0.27 7.32 0.00 -1.26 -5.16 107.32 104.98 1x2q s GLY 7 Ca 0.28 3.41 -0.08 0.00 0.00 0.00 0.00 44.72 48.33 1x2q s GLY 7 CO 0.09 3.48 0.58 -0.45 0.00 0.00 0.00 173.10 176.80 1x2q s SER 8 N 2.33 -0.88 -0.06 1.64 0.15 -1.26 -5.16 113.70 110.47 1x2q s SER 8 Ca -0.02 1.35 -0.26 0.00 0.70 0.00 0.00 55.95 57.72 1x2q s SER 8 Cb -0.04 2.00 0.06 0.00 -1.71 0.00 0.00 66.02 66.33 1x2q s SER 8 CO -0.15 -0.23 0.57 -0.70 1.20 0.00 0.00 173.24 173.94 1x2q s GLU 9 N 2.81 0.92 0.49 5.44 2.12 -1.26 -5.18 118.70 124.04 1x2q s GLU 9 Ca -0.03 0.20 0.05 0.00 0.36 0.00 0.00 54.97 55.54 1x2q s GLU 9 Cb -0.12 0.43 -0.01 0.00 0.26 0.00 0.00 34.13 34.69 1x2q s GLU 9 CO -0.17 -0.27 0.17 0.96 -0.54 0.00 0.00 175.26 175.41 1x2q s ILE 10 N -1.08 1.68 0.17 -3.70 -4.36 -1.26 -5.16 121.20 107.49 1x2q s ILE 10 Ca -0.11 -1.77 -0.12 0.00 -0.26 0.00 0.00 60.65 58.40 1x2q s ILE 10 Cb -0.02 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.25 1x2q s ILE 10 CO 0.08 0.00 0.36 -1.10 0.24 0.00 0.00 174.94 174.51 1x2q s GLN 11 N -3.99 1.21 -0.30 0.37 -0.21 -1.26 -5.14 119.66 110.34 1x2q s GLN 11 Ca 0.26 -1.06 0.01 0.00 0.02 0.00 0.00 55.36 54.59 1x2q s GLN 11 Cb 0.02 0.42 0.15 0.00 1.00 0.00 0.00 33.01 34.60 1x2q s GLN 11 CO 0.15 -0.47 0.34 -0.51 -2.12 0.00 0.00 175.29 172.68 1x2q s LEU 12 N -2.93 -0.37 -0.09 2.90 1.43 -1.26 -5.13 118.68 113.23 1x2q s LEU 12 Ca 0.14 -0.80 -0.19 0.00 -1.03 0.00 0.00 54.13 52.26 1x2q s LEU 12 Cb 0.02 0.69 -0.04 0.00 0.03 0.00 0.00 46.19 46.88 1x2q s LEU 12 CO -0.02 -0.36 0.50 0.20 0.23 0.00 0.00 176.35 176.91 1x2q s ASN 13 N 2.25 6.75 -0.13 2.29 -0.87 -1.26 -4.98 114.94 118.99 1x2q s ASN 13 Ca 0.11 0.89 -0.14 0.00 -1.57 0.00 0.00 52.86 52.15 1x2q s ASN 13 Cb -0.14 -2.30 -0.11 0.00 -0.02 0.00 0.00 41.25 38.68 1x2q s ASN 13 CO -0.27 0.02 0.25 -1.13 -2.57 0.00 0.00 177.10 173.40 1x2q h ASN 14 N 6.47 0.00 -3.60 -1.22 -0.73 -2.07 -3.47 115.58 110.95 1x2q h ASN 14 Ca -0.42 -0.39 -0.44 0.00 1.87 0.00 0.00 56.30 56.92 1x2q h ASN 14 Cb 1.19 0.00 0.18 0.00 0.27 0.00 0.00 38.32 39.96 1x2q h ASN 14 CO 0.74 0.83 0.11 -0.54 -0.37 0.00 0.00 177.43 178.20 1x2q s LYS 15 N -1.98 -0.32 -0.21 6.67 1.02 -1.26 -5.01 119.74 118.65 1x2q s LYS 15 Ca -0.12 0.53 -0.09 0.00 0.02 0.00 0.00 55.97 56.31 1x2q s LYS 15 Cb 0.00 -1.65 -0.05 0.00 -0.52 0.00 0.00 37.83 35.62 1x2q s LYS 15 CO 0.33 -3.24 0.12 0.14 -0.92 0.00 0.00 175.35 171.78 1x2q s VAL 16 N -2.79 5.20 0.50 3.17 -7.23 -1.26 -5.08 120.40 112.91 1x2q s VAL 16 Ca 0.67 0.12 -0.17 0.00 -1.81 0.00 0.00 61.98 60.79 1x2q s VAL 16 Cb -0.20 -3.39 -0.08 0.00 0.56 0.00 0.00 36.38 33.27 1x2q s VAL 16 CO 0.60 0.40 0.97 0.00 -0.31 0.00 0.00 175.10 176.76 1x2q s ALA 17 N 0.69 3.08 -0.73 1.32 0.00 -1.26 -4.95 121.76 119.90 1x2q s ALA 17 Ca 0.07 0.19 -0.26 0.00 0.00 0.00 0.00 51.96 51.95 1x2q s ALA 17 Cb -0.12 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 1x2q s ALA 17 CO 0.01 -0.19 1.77 0.50 0.00 0.00 0.00 175.76 177.86 1x2q s ARG 18 N -3.97 2.75 0.32 0.00 3.52 -1.25 -4.94 118.95 115.38 1x2q s ARG 18 Ca 0.59 0.15 -0.11 0.00 -0.13 0.00 0.00 55.73 56.22 1x2q s ARG 18 Cb -0.10 -4.59 -0.07 0.00 -1.56 0.00 0.00 34.95 28.63 1x2q s ARG 18 CO 0.29 -2.78 0.68 0.15 -0.81 0.00 0.00 175.30 172.83 1x2q s LYS 19 N 6.71 3.85 -0.00 5.12 1.02 -1.26 0.11 119.74 135.28 1x2q s LYS 19 Ca 0.62 0.44 -0.09 0.00 0.02 0.00 0.00 55.97 56.96 1x2q s LYS 19 Cb -0.10 -2.50 0.01 0.00 -0.52 0.00 0.00 37.83 34.72 1x2q s LYS 19 CO 0.12 0.15 0.19 0.14 -0.92 0.00 0.00 175.35 175.03 1x2q s VAL 20 N -2.06 0.07 -0.21 3.17 -7.23 0.15 -4.51 120.40 109.79 1x2q s VAL 20 Ca 0.51 -0.61 -0.07 0.00 -1.81 0.00 0.00 61.98 60.00 1x2q s VAL 20 Cb -0.11 -0.48 -0.03 0.00 0.56 0.00 0.00 36.38 36.32 1x2q s VAL 20 CO 0.24 -0.33 0.06 -0.60 -0.31 0.00 0.00 175.10 174.15 1x2q s ARG 21 N -1.32 3.79 0.07 4.82 3.52 -0.91 0.70 118.95 129.62 1x2q s ARG 21 Ca -0.14 -0.43 -0.31 0.00 -0.13 0.00 0.00 55.73 54.73 1x2q s ARG 21 Cb -0.07 -3.23 -0.09 0.00 -1.56 0.00 0.00 34.95 30.00 1x2q s ARG 21 CO 0.02 0.05 1.76 0.00 -0.81 0.00 0.00 175.30 176.32 1x2q s ALA 22 N 0.97 3.69 -0.07 6.12 0.00 0.13 -0.94 121.76 131.67 1x2q s ALA 22 Ca 0.03 1.28 -0.15 0.00 0.00 0.00 0.00 51.96 53.13 1x2q s ALA 22 Cb -0.14 -3.74 -0.29 0.00 0.00 0.00 0.00 23.12 18.94 1x2q s ALA 22 CO 0.03 -1.24 0.66 -0.07 0.00 0.00 0.00 175.76 175.13 1x2q h LEU 23 N 9.04 0.51 -9.46 0.00 3.38 0.12 1.42 115.31 120.32 1x2q h LEU 23 Ca -0.44 -0.90 -0.61 0.00 0.09 0.00 0.00 57.88 56.02 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 1.67 -0.65 -0.31 0.09 0.00 0.00 178.44 180.17 1x2q s TYR 24 N -2.52 2.38 -0.42 1.13 2.02 -1.19 -4.58 117.35 114.18 1x2q s TYR 24 Ca -0.17 -0.58 -0.24 0.00 -0.37 0.00 0.00 57.07 55.71 1x2q s TYR 24 Cb 0.04 -1.47 0.02 0.00 -0.40 0.00 0.00 41.96 40.16 1x2q s TYR 24 CO 0.82 0.50 0.83 0.16 -1.57 0.00 0.00 175.55 176.28 1x2q s ASP 25 N -3.62 6.50 0.56 2.29 -4.77 -1.26 -2.98 116.67 113.39 1x2q s ASP 25 Ca 0.33 0.15 0.09 0.00 -3.30 0.00 0.00 52.55 49.82 1x2q s ASP 25 Cb 0.05 -2.41 0.08 0.00 -1.09 0.00 0.00 42.92 39.55 1x2q s ASP 25 CO 0.16 -0.88 0.77 0.12 0.70 0.00 0.00 175.17 176.05 1x2q s PHE 26 N 3.35 1.61 -0.30 2.11 5.36 0.18 -4.86 117.98 125.42 1x2q s PHE 26 Ca 0.33 -0.65 -0.09 0.00 -0.96 0.00 0.00 56.93 55.55 1x2q s PHE 26 Cb -0.12 -2.28 0.19 0.00 -0.34 0.00 0.00 43.02 40.47 1x2q s PHE 26 CO 0.21 -1.09 0.99 -2.00 -1.46 0.00 0.00 175.22 171.87 1x2q s GLU 27 N -4.65 0.20 0.12 10.12 -6.30 -1.26 -3.84 118.70 113.09 1x2q s GLU 27 Ca 0.61 0.21 -0.31 0.00 -2.50 0.00 0.00 54.97 52.99 1x2q s GLU 27 Cb -0.06 0.10 -0.17 0.00 0.00 0.00 0.00 34.13 34.00 1x2q s GLU 27 CO 0.39 -0.36 0.68 0.00 0.02 0.00 0.00 175.26 175.98 1x2q n ALA 28 N 5.18 -3.03 -0.06 6.30 0.00 -0.94 -4.87 120.51 123.09 1x2q n ALA 28 Ca 0.08 0.47 -0.06 0.00 0.00 0.00 0.00 53.44 53.92 1x2q n ALA 28 Cb 0.57 -1.57 -0.10 0.00 0.00 0.00 0.00 19.45 18.35 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 0.53 0.88 -2.98 0.00 3.14 -1.26 -4.99 118.33 113.65 1x2q n VAL 29 Ca 0.18 -0.54 -0.13 0.00 -2.96 0.00 0.00 64.34 60.89 1x2q n VAL 29 Cb 0.18 -0.67 0.05 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 -2.49 0.68 -1.70 1.45 1.02 -1.26 -5.00 120.64 113.33 1x2q n GLU 30 Ca -0.21 -2.09 -0.36 0.00 -0.02 0.00 0.00 57.16 54.49 1x2q n GLU 30 Cb 0.91 -0.19 0.02 0.00 -0.02 0.00 0.00 31.44 32.17 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 -2.58 7.30 -2.10 1.62 8.00 -1.26 -4.09 116.55 123.43 1x2q n ASP 31 Ca 0.11 -3.67 -0.02 0.00 0.71 0.00 0.00 54.79 51.93 1x2q n ASP 31 Cb 0.40 -1.09 -0.02 0.00 -0.02 0.00 0.00 41.12 40.40 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 -0.26 -0.54 -4.24 -2.24 5.15 -1.26 -5.16 115.26 106.71 1x2q n ASN 32 Ca 0.53 -1.28 -0.22 0.00 -0.60 0.00 0.00 54.58 53.01 1x2q n ASN 32 Cb 0.37 0.52 -0.09 0.00 -0.53 0.00 0.00 39.78 40.05 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 0.00 1.73 -0.13 1.20 2.02 -1.26 -3.77 118.70 118.50 1x2q s GLU 33 Ca 0.00 -2.01 -0.10 0.00 0.02 0.00 0.00 54.97 52.89 1x2q s GLU 33 Cb 0.01 -0.59 -0.05 0.00 0.10 0.00 0.00 34.13 33.60 1x2q s GLU 33 CO -0.00 -0.36 0.19 -1.17 0.02 0.00 0.00 175.26 173.94 1x2q s LEU 34 N -3.50 4.34 -0.32 1.80 0.20 0.50 -3.97 118.68 117.74 1x2q s LEU 34 Ca 0.31 0.48 -0.02 0.00 0.69 0.00 0.00 54.13 55.59 1x2q s LEU 34 Cb 0.06 -2.18 0.06 0.00 -0.43 0.00 0.00 46.19 43.69 1x2q s LEU 34 CO 0.15 0.30 0.04 -0.89 -0.29 0.00 0.00 176.35 175.66 1x2q s THR 35 N -0.50 3.09 0.26 3.68 2.01 -1.26 -2.21 115.64 120.70 1x2q s THR 35 Ca 0.15 -1.46 -0.12 0.00 0.31 0.00 0.00 61.69 60.56 1x2q s THR 35 Cb -0.12 -2.83 -0.00 0.00 0.01 0.00 0.00 72.50 69.56 1x2q s THR 35 CO 0.04 -0.20 0.49 0.72 -0.69 0.00 0.00 174.62 174.99 1x2q s PHE 36 N 1.25 0.38 0.33 4.92 -0.12 -1.25 -4.78 117.98 118.71 1x2q s PHE 36 Ca -0.03 -0.75 0.01 0.00 -0.05 0.00 0.00 56.93 56.11 1x2q s PHE 36 Cb -0.20 0.21 0.01 0.00 -0.63 0.00 0.00 43.02 42.41 1x2q s PHE 36 CO -0.01 -1.03 0.11 1.63 -0.05 0.00 0.00 175.22 175.87 1x2q n LYS 37 N -0.40 1.12 -2.48 1.99 4.76 -1.26 -0.65 118.16 121.23 1x2q n LYS 37 Ca -0.02 -2.29 -0.35 0.00 -2.87 0.00 0.00 58.31 52.79 1x2q n LYS 37 Cb 0.62 0.47 -0.03 0.00 -1.84 0.00 0.00 35.03 34.25 1x2q n LYS 37 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 1x2q s HIS 38 N -1.99 2.96 0.00 2.13 -3.43 -1.16 -3.47 115.29 110.33 1x2q s HIS 38 Ca 0.08 1.58 0.00 0.00 -0.80 0.00 0.00 55.06 55.92 1x2q s HIS 38 Cb -0.01 -3.12 0.00 0.00 -1.43 0.00 0.00 32.58 28.02 1x2q s HIS 38 CO 0.05 -0.97 0.00 0.41 -2.00 0.00 0.00 174.74 172.23 1x2q n GLY 39 N -0.09 1.72 3.38 -1.38 0.00 0.49 -4.92 105.19 104.39 1x2q n GLY 39 Ca 0.09 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 0.27 -3.51 1.61 -0.58 -1.23 -3.91 120.64 113.30 1x2q n GLU 40 Ca 0.00 0.10 -0.34 0.00 -0.42 0.00 0.00 57.16 56.49 1x2q n GLU 40 Cb 0.00 -1.24 -0.05 0.00 -0.57 0.00 0.00 31.44 29.58 1x2q n GLU 40 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1x2q s ILE 41 N -1.52 5.02 -0.04 -3.67 -1.09 -1.26 0.22 121.20 118.86 1x2q s ILE 41 Ca 0.62 0.53 0.00 0.00 -2.23 0.00 0.00 60.65 59.57 1x2q s ILE 41 Cb -0.65 -3.67 0.03 0.00 -1.58 0.00 0.00 42.46 36.59 1x2q s ILE 41 CO 0.60 0.23 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.90 1x2q s ILE 42 N -1.47 0.32 -0.46 2.92 1.09 0.22 -4.52 121.20 119.30 1x2q s ILE 42 Ca 0.36 0.05 -0.20 0.00 -1.10 0.00 0.00 60.65 59.75 1x2q s ILE 42 Cb -0.14 -0.41 0.03 0.00 -1.06 0.00 0.00 42.46 40.88 1x2q s ILE 42 CO 0.19 0.20 0.63 -0.63 -0.10 0.00 0.00 174.94 175.23 1x2q s ILE 43 N 1.26 4.84 -0.13 2.92 1.09 0.51 0.33 121.20 132.01 1x2q s ILE 43 Ca -0.06 -0.04 -0.29 0.00 -1.10 0.00 0.00 60.65 59.15 1x2q s ILE 43 Cb -0.13 -4.22 -0.02 0.00 -1.06 0.00 0.00 42.46 37.02 1x2q s ILE 43 CO -0.02 -0.65 1.31 -0.69 -0.10 0.00 0.00 174.94 174.79 1x2q s VAL 44 N 2.77 4.16 -0.21 2.92 1.01 0.29 0.17 120.40 131.52 1x2q s VAL 44 Ca 0.20 1.43 -0.11 0.00 0.00 0.00 0.00 61.98 63.50 1x2q s VAL 44 Cb -0.15 -3.92 -0.19 0.00 0.00 0.00 0.00 36.38 32.12 1x2q s VAL 44 CO 0.17 -0.10 0.04 0.18 0.00 0.00 0.00 175.10 175.39 1x2q n LEU 45 N 6.41 2.31 -4.03 3.92 4.77 0.19 -3.90 117.00 126.66 1x2q n LEU 45 Ca 0.14 0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 56.23 1x2q n LEU 45 Cb 0.45 -0.97 -0.12 0.00 -2.33 0.00 0.00 43.42 40.45 1x2q n LEU 45 CO 0.57 0.63 -0.39 -1.81 -1.33 0.00 0.00 177.39 175.05 1x2q s ASP 46 N -6.99 0.69 -0.03 -1.43 1.11 -0.14 -5.04 116.67 104.84 1x2q s ASP 46 Ca -0.30 -0.46 0.20 0.00 0.18 0.00 0.00 52.55 52.16 1x2q s ASP 46 Cb 0.09 0.03 0.36 0.00 1.07 0.00 0.00 42.92 44.46 1x2q s ASP 46 CO 0.62 -0.17 1.15 -0.90 1.18 0.00 0.00 175.17 177.04 1x2q n ASP 47 N 1.75 0.97 -0.33 0.27 5.75 -1.26 -1.01 116.55 122.68 1x2q n ASP 47 Ca -0.21 -2.28 0.14 0.00 -0.01 0.00 0.00 54.79 52.43 1x2q n ASP 47 Cb 0.55 -0.32 0.27 0.00 -1.03 0.00 0.00 41.12 40.60 1x2q n ASP 47 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1x2q n SER 48 N 0.15 -0.12 -4.98 -1.12 7.64 -1.26 -4.33 113.62 109.60 1x2q n SER 48 Ca 0.07 1.62 -0.20 0.00 1.01 0.00 0.00 58.87 61.37 1x2q n SER 48 Cb 1.00 -0.59 -0.01 0.00 -1.01 0.00 0.00 64.21 63.60 1x2q n SER 48 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1x2q s ASP 49 N -5.02 6.17 -0.08 6.43 1.01 -1.26 -5.02 116.67 118.90 1x2q s ASP 49 Ca -0.12 -0.03 0.20 0.00 0.71 0.00 0.00 52.55 53.31 1x2q s ASP 49 Cb 0.28 -1.59 -0.30 0.00 1.01 0.00 0.00 42.92 42.32 1x2q s ASP 49 CO 0.74 -0.24 0.36 0.00 0.21 0.00 0.00 175.17 176.25 1x2q n ALA 50 N -1.52 2.33 -0.07 5.23 0.00 -1.26 -4.48 120.51 120.74 1x2q n ALA 50 Ca -0.05 -0.80 -0.11 0.00 0.00 0.00 0.00 53.44 52.48 1x2q n ALA 50 Cb 0.57 -0.57 -0.09 0.00 0.00 0.00 0.00 19.45 19.37 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 0.00 -3.29 0.00 2.35 -1.94 -3.39 115.58 109.31 1x2q h ASN 51 Ca -0.19 -0.58 -0.61 0.00 -0.55 0.00 0.00 56.30 54.37 1x2q h ASN 51 Cb 1.45 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.68 1x2q h ASN 51 CO 0.01 0.95 -0.52 0.26 -1.65 0.00 0.00 177.43 176.47 1x2q s TRP 52 N -2.09 3.33 -0.10 1.19 0.52 -1.26 -3.61 118.94 116.92 1x2q s TRP 52 Ca -0.16 0.20 0.03 0.00 0.02 0.00 0.00 56.10 56.19 1x2q s TRP 52 Cb -0.00 -2.13 -0.01 0.00 -1.15 0.00 0.00 33.47 30.18 1x2q s TRP 52 CO 0.46 0.21 -0.21 -1.58 0.02 0.00 0.00 176.95 175.86 1x2q s TRP 53 N 0.40 2.62 -0.46 -1.98 0.52 0.34 -3.99 118.94 116.40 1x2q s TRP 53 Ca 0.06 -0.89 -0.18 0.00 0.02 0.00 0.00 56.10 55.10 1x2q s TRP 53 Cb -0.12 -1.74 0.04 0.00 -1.15 0.00 0.00 33.47 30.51 1x2q s TRP 53 CO -0.01 -0.33 0.55 0.21 0.02 0.00 0.00 176.95 177.39 1x2q s LYS 54 N 0.27 3.13 0.37 4.98 2.20 -0.18 -1.95 119.74 128.56 1x2q s LYS 54 Ca -0.15 -0.79 0.05 0.00 -0.36 0.00 0.00 55.97 54.72 1x2q s LYS 54 Cb -0.17 -4.03 -0.03 0.00 -1.51 0.00 0.00 37.83 32.10 1x2q s LYS 54 CO 0.07 -1.04 0.19 0.20 -0.36 0.00 0.00 175.35 174.41 1x2q s GLY 55 N 2.26 2.48 0.04 5.54 0.00 -1.22 0.53 107.32 116.95 1x2q s GLY 55 Ca 0.15 -1.57 0.03 0.00 0.00 0.00 0.00 44.72 43.32 1x2q s GLY 55 CO 0.13 -1.67 -0.09 1.85 0.00 0.00 0.00 173.10 173.32 1x2q s GLU 56 N -3.61 0.59 0.22 2.90 2.12 0.46 -2.83 118.70 118.55 1x2q s GLU 56 Ca 0.31 -0.72 -0.09 0.00 0.36 0.00 0.00 54.97 54.83 1x2q s GLU 56 Cb 0.02 -0.44 -0.02 0.00 0.26 0.00 0.00 34.13 33.96 1x2q s GLU 56 CO 0.20 0.09 0.35 0.54 -0.54 0.00 0.00 175.26 175.90 1x2q s ASN 57 N -1.40 -0.00 0.23 -1.70 2.20 0.16 0.19 114.94 114.61 1x2q s ASN 57 Ca -0.07 -1.05 -0.14 0.00 -0.94 0.00 0.00 52.86 50.66 1x2q s ASN 57 Cb -0.09 0.51 0.28 0.00 -2.00 0.00 0.00 41.25 39.95 1x2q s ASN 57 CO 0.01 -1.02 1.43 0.00 -2.94 0.00 0.00 177.10 174.58 1x2q n HIS 58 N -0.33 0.12 -0.18 1.54 1.44 -1.26 0.17 115.22 116.72 1x2q n HIS 58 Ca -0.01 1.13 -0.01 0.00 -2.01 0.00 0.00 57.72 56.82 1x2q n HIS 58 Cb 0.63 -0.90 0.08 0.00 0.12 0.00 0.00 29.99 29.93 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 0.21 0.00 -1.40 3.08 -1.95 -3.48 114.38 110.84 1x2q h ARG 59 Ca 0.36 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1x2q h ARG 59 Cb 0.59 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1x2q h ARG 59 CO -0.92 0.14 0.00 0.41 -1.07 0.00 0.00 179.97 178.52 1x2q n GLY 60 N -1.31 -0.06 3.95 0.04 0.00 0.46 -5.10 105.19 103.17 1x2q n GLY 60 Ca 0.07 -1.24 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.36 3.98 0.00 -0.61 1.09 -1.26 0.36 121.20 121.40 1x2q s ILE 61 Ca 0.00 -1.10 0.00 0.00 -1.10 0.00 0.00 60.65 58.45 1x2q s ILE 61 Cb 0.00 -3.37 0.00 0.00 -1.06 0.00 0.00 42.46 38.03 1x2q s ILE 61 CO 0.00 -0.17 0.00 0.61 -0.10 0.00 0.00 174.94 175.28 1x2q n GLY 62 N -1.56 2.12 3.84 6.18 0.00 -1.13 -4.66 105.19 109.99 1x2q n GLY 62 Ca -0.01 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 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 4.25 0.12 0.99 2.01 -1.25 -3.37 118.68 121.44 1x2q s LEU 63 Ca 0.00 1.16 -0.25 0.00 0.01 0.00 0.00 54.13 55.05 1x2q s LEU 63 Cb 0.00 -3.59 0.07 0.00 0.01 0.00 0.00 46.19 42.69 1x2q s LEU 63 CO 0.00 -0.01 0.79 0.72 1.01 0.00 0.00 176.35 178.86 1x2q s PHE 64 N -1.65 -0.33 0.23 0.29 -0.71 -0.82 0.19 117.98 115.18 1x2q s PHE 64 Ca 0.44 0.08 -0.30 0.00 -1.04 0.00 0.00 56.93 56.12 1x2q s PHE 64 Cb -0.14 0.59 -0.09 0.00 -1.21 0.00 0.00 43.02 42.18 1x2q s PHE 64 CO 0.20 -0.81 1.09 -1.25 -1.34 0.00 0.00 175.22 173.11 1x2q s PRO 65 N -3.47 4.63 0.00 1.99 0.04 -1.25 0.13 135.00 137.06 1x2q s PRO 65 Ca 0.06 1.76 0.25 0.00 0.04 0.00 0.00 61.00 63.10 1x2q s PRO 65 Cb -0.02 -3.23 1.18 0.00 0.04 0.00 0.00 34.50 32.47 1x2q s PRO 65 CO -0.05 0.17 1.81 -1.13 0.04 0.00 0.00 177.00 177.83 1x2q n SER 66 N 1.72 0.00 -0.95 6.66 3.41 -1.24 -2.38 113.62 120.84 1x2q n SER 66 Ca 0.01 0.12 0.05 0.00 -0.26 0.00 0.00 58.87 58.79 1x2q n SER 66 Cb 0.45 -0.36 0.19 0.00 -0.26 0.00 0.00 64.21 64.24 1x2q n SER 66 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1x2q n ASN 67 N -1.36 2.72 -0.19 4.04 2.85 -1.26 -3.41 115.26 118.65 1x2q n ASN 67 Ca 0.10 -2.20 0.03 0.00 -0.11 0.00 0.00 54.58 52.39 1x2q n ASN 67 Cb 0.23 -0.40 0.02 0.00 1.24 0.00 0.00 39.78 40.86 1x2q n ASN 67 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1x2q n PHE 68 N 0.54 0.00 -4.51 1.20 3.01 -1.00 -4.92 117.46 111.78 1x2q n PHE 68 Ca 0.14 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.34 1x2q n PHE 68 Cb 0.51 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.90 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 -0.60 0.52 -0.03 -4.37 -7.23 -1.22 0.16 120.40 107.62 1x2q s VAL 69 Ca 0.06 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.22 1x2q s VAL 69 Cb 0.05 -2.31 0.03 0.00 0.56 0.00 0.00 36.38 34.70 1x2q s VAL 69 CO 0.09 0.00 0.06 0.28 -0.31 0.00 0.00 175.10 175.22 1x2q s THR 70 N -3.20 -0.05 -0.82 5.32 -1.32 -0.11 -4.74 115.64 110.72 1x2q s THR 70 Ca 0.23 0.20 -0.06 0.00 -1.21 0.00 0.00 61.69 60.85 1x2q s THR 70 Cb 0.02 -0.12 -0.07 0.00 -1.51 0.00 0.00 72.50 70.81 1x2q s THR 70 CO 0.15 0.08 2.24 0.35 -2.21 0.00 0.00 174.62 175.23 1x2q n THR 71 N 4.14 2.50 -2.72 5.08 -2.24 -1.26 -2.14 114.28 117.63 1x2q n THR 71 Ca -0.27 -1.46 0.01 0.00 -2.27 0.00 0.00 64.05 60.07 1x2q n THR 71 Cb 0.51 -2.12 0.01 0.00 -2.10 0.00 0.00 70.33 66.63 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 3.12 -0.21 0.17 3.42 3.84 -1.26 -5.04 114.94 118.97 1x2q s ASN 72 Ca 0.42 -0.12 -0.24 0.00 0.21 0.00 0.00 52.86 53.13 1x2q s ASN 72 Cb 0.12 0.27 0.06 0.00 -0.55 0.00 0.00 41.25 41.16 1x2q s ASN 72 CO -0.03 -0.02 1.58 -0.07 -2.79 0.00 0.00 177.10 175.77 1x2q h LEU 73 N 5.15 -1.28 0.00 3.21 3.38 -1.84 -3.44 115.31 120.49 1x2q h LEU 73 Ca -0.04 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1x2q h LEU 73 Cb 1.23 0.59 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1x2q h LEU 73 CO -0.09 -0.33 0.00 -0.46 0.09 0.00 0.00 178.44 177.65 1x2q n ASN 74 N -5.42 0.00 -3.87 -0.43 6.94 -1.26 -4.86 115.26 106.36 1x2q n ASN 74 Ca 0.02 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.27 1x2q n ASN 74 Cb 0.35 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.62 1x2q n ASN 74 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1x2q s ILE 75 N 0.00 1.64 -0.44 1.53 1.01 -1.26 -4.90 121.20 118.78 1x2q s ILE 75 Ca 0.00 -2.00 -0.28 0.00 0.00 0.00 0.00 60.65 58.36 1x2q s ILE 75 Cb 0.00 -2.21 0.04 0.00 0.01 0.00 0.00 42.46 40.30 1x2q s ILE 75 CO 0.00 -0.66 0.63 -0.62 0.00 0.00 0.00 174.94 174.29 1x2q n GLU 76 N 4.40 -2.15 -2.59 2.79 1.02 -1.26 -4.88 120.64 117.97 1x2q n GLU 76 Ca 0.02 1.76 -0.42 0.00 -0.02 0.00 0.00 57.16 58.50 1x2q n GLU 76 Cb 0.41 -3.75 -0.03 0.00 -0.02 0.00 0.00 31.44 28.05 1x2q n GLU 76 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1x2q s THR 77 N -2.00 4.48 -0.40 2.62 -1.32 -1.26 -4.91 115.64 112.84 1x2q s THR 77 Ca 0.32 1.81 -0.42 0.00 -1.21 0.00 0.00 61.69 62.20 1x2q s THR 77 Cb -0.05 -4.16 -0.17 0.00 -1.51 0.00 0.00 72.50 66.61 1x2q s THR 77 CO 0.83 0.16 1.91 1.21 -2.21 0.00 0.00 174.62 176.51 1x2q n GLU 78 N 3.74 0.60 -2.67 7.08 2.13 -1.26 -4.80 120.64 125.46 1x2q n GLU 78 Ca 0.07 0.20 -0.04 0.00 0.66 0.00 0.00 57.16 58.05 1x2q n GLU 78 Cb 0.49 -1.90 0.05 0.00 0.27 0.00 0.00 31.44 30.35 1x2q n GLU 78 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x2q n ALA 79 N 6.55 -3.52 -2.70 4.31 0.00 -1.26 -5.07 120.51 118.82 1x2q n ALA 79 Ca 0.38 -0.21 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 1x2q n ALA 79 Cb 0.07 -3.12 0.00 0.00 0.00 0.00 0.00 19.45 16.40 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 2.06 3.94 -2.87 0.00 0.00 -1.26 -4.69 120.51 117.69 1x2q n ALA 80 Ca 0.07 -4.08 -0.02 0.00 0.00 0.00 0.00 53.44 49.41 1x2q n ALA 80 Cb 0.67 -3.29 0.01 0.00 0.00 0.00 0.00 19.45 16.84 1x2q n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x2q s ALA 81 N 2.60 -2.88 -0.51 0.00 0.00 -1.26 -5.10 121.76 114.61 1x2q s ALA 81 Ca 0.47 0.13 -0.08 0.00 0.00 0.00 0.00 51.96 52.48 1x2q s ALA 81 Cb 0.02 -2.81 0.13 0.00 0.00 0.00 0.00 23.12 20.46 1x2q s ALA 81 CO 0.03 -2.32 0.37 0.08 0.00 0.00 0.00 175.76 173.92 1x2q s VAL 82 N 1.28 4.16 0.45 0.00 1.01 -1.26 -5.00 120.40 121.04 1x2q s VAL 82 Ca 0.23 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1x2q s VAL 82 Cb 0.02 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1x2q s VAL 82 CO -0.08 -0.80 0.00 -1.20 0.00 0.00 0.00 175.10 173.03 1x2q n SER 83 N 4.66 -7.74 0.00 3.32 7.64 -1.26 -5.00 113.62 115.24 1x2q n SER 83 Ca -0.04 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.81 1x2q n SER 83 Cb 0.41 -4.41 0.00 0.00 -1.01 0.00 0.00 64.21 59.19 1x2q n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x2q n GLY 84 N -4.09 0.32 3.59 0.23 0.00 -1.26 -5.00 105.19 98.98 1x2q n GLY 84 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 3.40 -0.34 1.61 0.04 -1.26 -4.97 135.00 133.48 1x2q s PRO 85 Ca 0.00 0.74 -0.22 0.00 0.04 0.00 0.00 61.00 61.56 1x2q s PRO 85 Cb 0.00 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1x2q s PRO 85 CO 0.00 -1.79 0.74 -1.12 0.04 0.00 0.00 177.00 174.87 1x2q s SER 86 N 4.44 6.55 -0.18 6.66 0.01 -1.26 -4.98 113.70 124.93 1x2q s SER 86 Ca 0.59 0.40 -0.35 0.00 1.31 0.00 0.00 55.95 57.90 1x2q s SER 86 Cb -0.13 -2.38 0.14 0.00 0.21 0.00 0.00 66.02 63.87 1x2q s SER 86 CO 0.29 -0.64 1.32 -0.55 0.41 0.00 0.00 173.24 174.07 1x2q s SER 87 N 1.75 -0.06 0.00 2.44 0.15 -1.26 -5.30 113.70 111.42 1x2q s SER 87 Ca 0.29 -0.02 0.21 0.00 0.70 0.00 0.00 55.95 57.13 1x2q s SER 87 Cb -0.14 0.08 1.23 0.00 -1.71 0.00 0.00 66.02 65.48 1x2q s SER 87 CO 0.15 -0.14 1.61 0.61 1.20 0.00 0.00 173.24 176.67