#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 -0.47 -1.30 1.61 0.15 -1.26 -5.07 113.70 107.35 1x2q s SER 2 Ca 0.00 -0.56 -0.17 0.00 0.70 0.00 0.00 55.95 55.92 1x2q s SER 2 Cb 0.00 0.62 0.08 0.00 -1.71 0.00 0.00 66.02 65.01 1x2q s SER 2 CO 0.00 -0.02 1.74 -0.24 1.20 0.00 0.00 173.24 175.92 1x2q n SER 3 N 2.66 4.90 -4.91 5.45 2.88 -1.26 -4.94 113.62 118.40 1x2q n SER 3 Ca 0.13 -2.92 -0.22 0.00 -1.33 0.00 0.00 58.87 54.52 1x2q n SER 3 Cb 0.63 -1.72 -0.01 0.00 -0.75 0.00 0.00 64.21 62.37 1x2q n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x2q s GLY 4 N 3.92 2.15 -0.28 0.46 0.00 -1.26 -5.14 107.32 107.17 1x2q s GLY 4 Ca 0.52 -1.73 -0.22 0.00 0.00 0.00 0.00 44.72 43.29 1x2q s GLY 4 CO 0.06 -1.77 0.80 -0.56 0.00 0.00 0.00 173.10 171.63 1x2q s SER 5 N -4.26 -0.71 0.78 1.64 0.01 -1.26 -5.17 113.70 104.72 1x2q s SER 5 Ca 0.46 1.28 -0.12 0.00 1.31 0.00 0.00 55.95 58.89 1x2q s SER 5 Cb -0.03 1.30 0.06 0.00 0.21 0.00 0.00 66.02 67.56 1x2q s SER 5 CO 0.28 -0.21 1.14 -0.44 0.41 0.00 0.00 173.24 174.41 1x2q s SER 6 N 0.77 4.78 0.00 2.44 0.01 -1.26 -4.93 113.70 115.51 1x2q s SER 6 Ca -0.03 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.22 1x2q s SER 6 Cb -0.05 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.55 1x2q s SER 6 CO -0.08 -1.75 0.00 0.61 0.41 0.00 0.00 173.24 172.43 1x2q n GLY 7 N -2.97 -2.10 3.81 3.44 0.00 -1.26 -5.02 105.19 101.09 1x2q n GLY 7 Ca 0.07 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 1x2q n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x2q s SER 8 N -1.50 4.50 0.25 1.61 1.04 -1.26 -4.80 113.70 113.53 1x2q s SER 8 Ca 0.00 1.29 0.00 0.00 0.48 0.00 0.00 55.95 57.72 1x2q s SER 8 Cb 0.00 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 64.10 1x2q s SER 8 CO 0.00 -1.96 0.00 -0.62 0.98 0.00 0.00 173.24 171.64 1x2q n GLU 9 N -3.43 -5.52 -4.38 4.02 4.71 -1.26 -5.04 120.64 109.74 1x2q n GLU 9 Ca 0.07 3.93 -0.25 0.00 -0.01 0.00 0.00 57.16 60.90 1x2q n GLU 9 Cb 0.56 -4.24 -0.09 0.00 -1.01 0.00 0.00 31.44 26.66 1x2q n GLU 9 CO 0.00 0.00 0.00 0.96 0.09 0.00 0.00 177.13 178.18 1x2q s ILE 10 N -0.85 2.47 0.38 -3.67 -0.00 -1.26 -5.13 121.20 113.14 1x2q s ILE 10 Ca 0.00 -1.98 -0.15 0.00 -0.00 0.00 0.00 60.65 58.52 1x2q s ILE 10 Cb 0.00 -2.82 -0.09 0.00 -0.00 0.00 0.00 42.46 39.56 1x2q s ILE 10 CO 0.00 -0.16 0.80 -1.58 -0.00 0.00 0.00 174.94 174.01 1x2q s GLN 11 N -3.72 3.99 -0.04 0.37 0.74 -1.26 -5.05 119.66 114.68 1x2q s GLN 11 Ca 0.35 0.73 -0.18 0.00 0.05 0.00 0.00 55.36 56.31 1x2q s GLN 11 Cb 0.02 -2.35 -0.05 0.00 1.10 0.00 0.00 33.01 31.73 1x2q s GLN 11 CO 0.19 0.04 0.50 -0.51 -0.55 0.00 0.00 175.29 174.96 1x2q s LEU 12 N -3.31 4.38 0.39 3.68 1.02 -1.26 -5.03 118.68 118.56 1x2q s LEU 12 Ca 0.55 0.98 -0.25 0.00 0.02 0.00 0.00 54.13 55.44 1x2q s LEU 12 Cb -0.10 -2.75 -0.11 0.00 0.02 0.00 0.00 46.19 43.25 1x2q s LEU 12 CO 0.21 0.13 1.06 -3.20 0.02 0.00 0.00 176.35 174.58 1x2q n ASN 13 N 2.80 1.55 -4.56 2.29 5.15 -1.26 -4.76 115.26 116.47 1x2q n ASN 13 Ca -0.09 1.08 -0.25 0.00 -0.60 0.00 0.00 54.58 54.72 1x2q n ASN 13 Cb 0.52 -1.37 -0.05 0.00 -0.53 0.00 0.00 39.78 38.34 1x2q n ASN 13 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1x2q s ASN 14 N -0.65 4.51 0.05 1.20 0.01 -1.26 -4.88 114.94 113.91 1x2q s ASN 14 Ca 0.62 0.09 0.04 0.00 -0.71 0.00 0.00 52.86 52.89 1x2q s ASN 14 Cb -0.57 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 38.52 1x2q s ASN 14 CO 0.58 -3.19 -0.11 -0.54 -1.51 0.00 0.00 177.10 172.33 1x2q s LYS 15 N 8.03 0.70 -0.17 -0.60 1.02 -1.26 -5.14 119.74 122.31 1x2q s LYS 15 Ca 0.84 -0.77 -0.02 0.00 0.02 0.00 0.00 55.97 56.04 1x2q s LYS 15 Cb -0.12 -0.61 -0.01 0.00 -0.52 0.00 0.00 37.83 36.57 1x2q s LYS 15 CO 0.11 0.14 -0.07 0.14 -0.92 0.00 0.00 175.35 174.74 1x2q s VAL 16 N -1.12 3.36 0.76 3.17 -7.23 -1.26 -5.11 120.40 112.98 1x2q s VAL 16 Ca -0.04 -0.53 -0.06 0.00 -1.81 0.00 0.00 61.98 59.54 1x2q s VAL 16 Cb -0.09 -2.48 0.11 0.00 0.56 0.00 0.00 36.38 34.49 1x2q s VAL 16 CO 0.01 0.48 1.07 0.00 -0.31 0.00 0.00 175.10 176.34 1x2q s ALA 17 N 0.82 3.17 -0.60 1.32 0.00 -1.26 -5.02 121.76 120.19 1x2q s ALA 17 Ca -0.02 -1.29 -0.19 0.00 0.00 0.00 0.00 51.96 50.46 1x2q s ALA 17 Cb -0.15 -2.41 0.11 0.00 0.00 0.00 0.00 23.12 20.67 1x2q s ALA 17 CO 0.01 -1.59 0.69 0.50 0.00 0.00 0.00 175.76 175.37 1x2q s ARG 18 N -5.33 3.05 0.30 0.00 3.52 -1.23 -4.98 118.95 114.27 1x2q s ARG 18 Ca 0.65 -1.39 -0.12 0.00 -0.13 0.00 0.00 55.73 54.74 1x2q s ARG 18 Cb -0.07 -4.28 -0.08 0.00 -1.56 0.00 0.00 34.95 28.95 1x2q s ARG 18 CO 0.46 -1.52 0.67 0.15 -0.81 0.00 0.00 175.30 174.25 1x2q s LYS 19 N 2.54 3.90 -0.05 5.12 1.02 -1.26 0.19 119.74 131.20 1x2q s LYS 19 Ca 0.11 0.49 -0.15 0.00 0.02 0.00 0.00 55.97 56.44 1x2q s LYS 19 Cb -0.24 -2.51 0.03 0.00 -0.52 0.00 0.00 37.83 34.59 1x2q s LYS 19 CO 0.05 0.20 0.35 0.14 -0.92 0.00 0.00 175.35 175.17 1x2q s VAL 20 N -1.96 0.04 -0.22 3.17 -7.23 0.23 -4.56 120.40 109.86 1x2q s VAL 20 Ca 0.51 -0.32 -0.09 0.00 -1.81 0.00 0.00 61.98 60.27 1x2q s VAL 20 Cb -0.11 -0.62 -0.04 0.00 0.56 0.00 0.00 36.38 36.18 1x2q s VAL 20 CO 0.20 -0.18 0.10 -0.60 -0.31 0.00 0.00 175.10 174.32 1x2q s ARG 21 N -0.93 3.92 0.12 4.82 3.52 -0.89 0.41 118.95 129.93 1x2q s ARG 21 Ca -0.10 -0.35 -0.31 0.00 -0.13 0.00 0.00 55.73 54.84 1x2q s ARG 21 Cb -0.04 -3.38 -0.10 0.00 -1.56 0.00 0.00 34.95 29.87 1x2q s ARG 21 CO 0.04 0.06 1.70 0.00 -0.81 0.00 0.00 175.30 176.29 1x2q s ALA 22 N 0.99 3.76 -0.11 6.12 0.00 0.78 -0.73 121.76 132.58 1x2q s ALA 22 Ca 0.05 1.37 -0.10 0.00 0.00 0.00 0.00 51.96 53.28 1x2q s ALA 22 Cb -0.14 -3.70 -0.26 0.00 0.00 0.00 0.00 23.12 19.02 1x2q s ALA 22 CO 0.03 -1.05 0.43 -0.07 0.00 0.00 0.00 175.76 175.10 1x2q h LEU 23 N 7.98 0.41 -9.44 0.00 3.38 0.58 1.03 115.31 119.25 1x2q h LEU 23 Ca -0.44 -0.90 -0.60 0.00 0.09 0.00 0.00 57.88 56.04 1x2q h LEU 23 Cb 1.21 -0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.70 1x2q h LEU 23 CO 0.94 1.79 -0.68 -0.31 0.09 0.00 0.00 178.44 180.27 1x2q s TYR 24 N -2.53 2.45 -0.38 1.13 2.02 -1.17 -4.66 117.35 114.21 1x2q s TYR 24 Ca -0.22 -0.40 -0.25 0.00 -0.37 0.00 0.00 57.07 55.84 1x2q s TYR 24 Cb 0.06 -1.28 0.01 0.00 -0.40 0.00 0.00 41.96 40.35 1x2q s TYR 24 CO 0.77 0.59 0.88 0.16 -1.57 0.00 0.00 175.55 176.38 1x2q s ASP 25 N -3.62 6.62 0.42 2.29 -4.77 -1.26 -3.14 116.67 113.19 1x2q s ASP 25 Ca 0.32 0.45 0.08 0.00 -3.30 0.00 0.00 52.55 50.10 1x2q s ASP 25 Cb -0.02 -2.44 -0.00 0.00 -1.09 0.00 0.00 42.92 39.37 1x2q s ASP 25 CO 0.17 -0.84 0.49 0.12 0.70 0.00 0.00 175.17 175.82 1x2q s PHE 26 N 3.38 2.78 -0.30 2.11 5.36 -0.11 -4.90 117.98 126.30 1x2q s PHE 26 Ca 0.36 -0.43 -0.06 0.00 -0.96 0.00 0.00 56.93 55.84 1x2q s PHE 26 Cb -0.12 -2.29 0.17 0.00 -0.34 0.00 0.00 43.02 40.44 1x2q s PHE 26 CO 0.19 -0.30 0.70 -2.00 -1.46 0.00 0.00 175.22 172.35 1x2q s GLU 27 N -4.26 0.50 0.17 10.12 2.12 -1.26 -3.70 118.70 122.38 1x2q s GLU 27 Ca 0.52 0.99 -0.30 0.00 0.36 0.00 0.00 54.97 56.54 1x2q s GLU 27 Cb -0.07 0.57 -0.17 0.00 0.26 0.00 0.00 34.13 34.71 1x2q s GLU 27 CO 0.31 -0.43 0.65 0.00 -0.54 0.00 0.00 175.26 175.25 1x2q n ALA 28 N 5.41 -2.90 -0.04 6.30 0.00 -1.14 -4.87 120.51 123.26 1x2q n ALA 28 Ca -0.05 0.47 -0.04 0.00 0.00 0.00 0.00 53.44 53.82 1x2q n ALA 28 Cb 0.51 -1.66 -0.07 0.00 0.00 0.00 0.00 19.45 18.24 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 0.31 0.58 -2.64 0.00 3.14 -1.26 -5.02 118.33 113.44 1x2q n VAL 29 Ca 0.18 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1x2q n VAL 29 Cb 0.22 -0.78 0.00 0.00 -1.06 0.00 0.00 33.84 32.22 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 -2.35 1.48 -1.27 1.45 1.02 -1.26 -5.01 120.64 114.71 1x2q n GLU 30 Ca -0.14 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.74 1x2q n GLU 30 Cb 0.77 0.00 0.13 0.00 -0.02 0.00 0.00 31.44 32.32 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 -2.19 5.19 -2.52 1.62 8.00 -1.26 -4.32 116.55 121.08 1x2q n ASP 31 Ca 0.00 -3.72 -0.04 0.00 0.71 0.00 0.00 54.79 51.75 1x2q n ASP 31 Cb 0.00 -0.83 0.02 0.00 -0.02 0.00 0.00 41.12 40.30 1x2q n ASP 31 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1x2q n ASN 32 N -1.02 -1.17 -4.58 -2.24 6.94 -1.26 -5.16 115.26 106.77 1x2q n ASN 32 Ca 0.56 -1.77 -0.28 0.00 -0.02 0.00 0.00 54.58 53.07 1x2q n ASN 32 Cb 1.14 0.85 -0.09 0.00 -2.36 0.00 0.00 39.78 39.32 1x2q n ASN 32 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1x2q s GLU 33 N 0.07 1.99 -0.15 -3.83 2.02 -1.26 -3.61 118.70 113.93 1x2q s GLU 33 Ca 0.07 -2.20 -0.10 0.00 0.02 0.00 0.00 54.97 52.77 1x2q s GLU 33 Cb 0.15 -1.34 -0.05 0.00 0.10 0.00 0.00 34.13 32.99 1x2q s GLU 33 CO -0.04 -0.24 0.18 -1.17 0.02 0.00 0.00 175.26 174.01 1x2q s LEU 34 N -3.72 4.30 -0.32 1.80 0.20 0.52 -4.13 118.68 117.33 1x2q s LEU 34 Ca 0.23 0.41 -0.03 0.00 0.69 0.00 0.00 54.13 55.43 1x2q s LEU 34 Cb 0.06 -2.17 0.05 0.00 -0.43 0.00 0.00 46.19 43.70 1x2q s LEU 34 CO 0.12 0.26 0.04 -0.89 -0.29 0.00 0.00 176.35 175.58 1x2q s THR 35 N -0.21 3.20 0.25 3.68 2.01 -1.26 -2.87 115.64 120.43 1x2q s THR 35 Ca 0.13 -1.37 -0.10 0.00 0.31 0.00 0.00 61.69 60.66 1x2q s THR 35 Cb -0.12 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.53 1x2q s THR 35 CO 0.02 -0.16 0.42 0.72 -0.69 0.00 0.00 174.62 174.93 1x2q s PHE 36 N 1.28 0.55 0.49 4.92 -0.12 -1.24 -4.83 117.98 119.02 1x2q s PHE 36 Ca -0.03 -0.88 0.02 0.00 -0.05 0.00 0.00 56.93 55.98 1x2q s PHE 36 Cb -0.20 0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.22 1x2q s PHE 36 CO -0.00 -0.95 0.03 0.15 -0.05 0.00 0.00 175.22 174.39 1x2q s LYS 37 N -3.95 2.13 0.45 1.99 1.02 -1.26 -0.94 119.74 119.19 1x2q s LYS 37 Ca 0.26 -2.35 -0.24 0.00 0.02 0.00 0.00 55.97 53.67 1x2q s LYS 37 Cb 0.01 -1.37 -0.07 0.00 -0.52 0.00 0.00 37.83 35.87 1x2q s LYS 37 CO 0.10 -0.37 1.19 -1.58 -0.92 0.00 0.00 175.35 173.78 1x2q s HIS 38 N -2.93 2.87 0.00 3.18 5.65 -1.19 -3.08 115.29 119.79 1x2q s HIS 38 Ca 0.10 1.52 0.00 0.00 0.25 0.00 0.00 55.06 56.93 1x2q s HIS 38 Cb 0.02 -3.44 0.00 0.00 -1.18 0.00 0.00 32.58 27.98 1x2q s HIS 38 CO 0.06 -1.62 0.00 0.41 -0.65 0.00 0.00 174.74 172.94 1x2q n GLY 39 N 0.52 2.22 3.57 1.59 0.00 0.36 -4.92 105.19 108.52 1x2q n GLY 39 Ca 0.07 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 1.18 -3.52 1.61 1.02 -1.18 -4.20 120.64 115.56 1x2q n GLU 40 Ca 0.00 0.42 -0.34 0.00 -0.02 0.00 0.00 57.16 57.22 1x2q n GLU 40 Cb 0.00 -1.85 -0.05 0.00 -0.02 0.00 0.00 31.44 29.51 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 -1.22 5.04 -0.04 -3.67 -1.09 -1.26 -0.15 121.20 118.80 1x2q s ILE 41 Ca 0.61 0.49 0.01 0.00 -2.23 0.00 0.00 60.65 59.53 1x2q s ILE 41 Cb -0.63 -3.66 0.02 0.00 -1.58 0.00 0.00 42.46 36.62 1x2q s ILE 41 CO 0.58 0.22 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.86 1x2q s ILE 42 N -1.48 0.38 -0.49 2.92 1.01 0.16 -4.51 121.20 119.20 1x2q s ILE 42 Ca 0.36 -0.02 -0.22 0.00 0.00 0.00 0.00 60.65 60.77 1x2q s ILE 42 Cb -0.14 -0.45 0.04 0.00 0.01 0.00 0.00 42.46 41.93 1x2q s ILE 42 CO 0.19 0.20 0.76 -0.63 0.00 0.00 0.00 174.94 175.45 1x2q s ILE 43 N 1.05 4.67 -0.01 2.92 1.09 0.50 -0.60 121.20 130.83 1x2q s ILE 43 Ca -0.09 0.08 -0.30 0.00 -1.10 0.00 0.00 60.65 59.24 1x2q s ILE 43 Cb -0.14 -4.35 -0.05 0.00 -1.06 0.00 0.00 42.46 36.86 1x2q s ILE 43 CO -0.01 -0.82 1.28 -0.69 -0.10 0.00 0.00 174.94 174.59 1x2q s VAL 44 N 3.20 3.99 -0.26 2.92 1.01 0.51 0.14 120.40 131.89 1x2q s VAL 44 Ca 0.25 1.36 -0.03 0.00 0.00 0.00 0.00 61.98 63.56 1x2q s VAL 44 Cb -0.14 -3.88 -0.15 0.00 0.00 0.00 0.00 36.38 32.21 1x2q s VAL 44 CO 0.18 0.03 -0.27 0.18 0.00 0.00 0.00 175.10 175.22 1x2q n LEU 45 N 4.94 2.64 -4.03 3.92 4.77 0.15 -3.49 117.00 125.90 1x2q n LEU 45 Ca 0.11 0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.88 1x2q n LEU 45 Cb 0.45 -0.87 -0.16 0.00 -2.33 0.00 0.00 43.42 40.51 1x2q n LEU 45 CO 0.56 0.82 -0.46 -1.81 -1.33 0.00 0.00 177.39 175.18 1x2q s ASP 46 N -6.83 1.53 -0.34 -1.43 1.01 0.00 -5.03 116.67 105.58 1x2q s ASP 46 Ca -0.36 -0.25 0.15 0.00 0.71 0.00 0.00 52.55 52.80 1x2q s ASP 46 Cb 0.11 -0.51 0.46 0.00 1.01 0.00 0.00 42.92 43.99 1x2q s ASP 46 CO 0.56 0.07 1.04 -0.90 0.21 0.00 0.00 175.17 176.14 1x2q n ASP 47 N 3.44 2.54 -0.03 0.27 5.75 -1.26 -1.57 116.55 125.68 1x2q n ASP 47 Ca -0.20 -2.92 -0.10 0.00 -0.01 0.00 0.00 54.79 51.56 1x2q n ASP 47 Cb 0.53 -0.49 -0.09 0.00 -1.03 0.00 0.00 41.12 40.04 1x2q n ASP 47 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1x2q h SER 48 N 2.76 -0.04 -3.73 -1.12 0.87 -1.96 -3.43 113.55 106.90 1x2q h SER 48 Ca 0.03 -0.62 -0.63 0.00 -1.23 0.00 0.00 61.79 59.34 1x2q h SER 48 Cb 1.16 0.01 -0.15 0.00 -0.44 0.00 0.00 62.40 62.98 1x2q h SER 48 CO 0.55 0.73 -0.44 -0.62 -0.53 0.00 0.00 176.83 176.51 1x2q s ASP 49 N -5.89 6.12 0.38 6.23 2.15 -1.26 -4.95 116.67 119.46 1x2q s ASP 49 Ca -0.14 0.12 0.15 0.00 0.43 0.00 0.00 52.55 53.12 1x2q s ASP 49 Cb -0.01 -2.14 0.76 0.00 -0.30 0.00 0.00 42.92 41.23 1x2q s ASP 49 CO 0.51 -0.03 1.81 0.00 -0.17 0.00 0.00 175.17 177.29 1x2q h ALA 50 N 7.95 1.25 0.06 3.66 0.00 -1.99 -2.92 119.26 127.27 1x2q h ALA 50 Ca -0.36 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 1x2q h ALA 50 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1x2q h ALA 50 CO 0.62 0.46 -0.03 -0.91 0.00 0.00 0.00 179.25 179.39 1x2q h ASN 51 N 0.00 -0.07 -3.32 0.00 2.35 -1.93 -3.32 115.58 109.29 1x2q h ASN 51 Ca -0.00 -0.03 -0.57 0.00 -0.55 0.00 0.00 56.30 55.14 1x2q h ASN 51 Cb 0.71 0.02 -0.34 0.00 0.05 0.00 0.00 38.32 38.76 1x2q h ASN 51 CO 0.05 -0.02 -0.83 0.26 -1.65 0.00 0.00 177.43 175.24 1x2q s TRP 52 N -6.04 1.86 -0.08 1.19 0.52 -1.10 -4.30 118.94 110.99 1x2q s TRP 52 Ca -0.14 -0.81 0.01 0.00 0.02 0.00 0.00 56.10 55.18 1x2q s TRP 52 Cb 0.05 -1.34 -0.03 0.00 -1.15 0.00 0.00 33.47 31.01 1x2q s TRP 52 CO 0.66 -0.41 -0.08 -1.58 0.02 0.00 0.00 176.95 175.56 1x2q s TRP 53 N 0.83 2.91 -0.42 -1.98 0.52 0.50 -4.08 118.94 117.21 1x2q s TRP 53 Ca -0.10 -0.08 -0.13 0.00 0.02 0.00 0.00 56.10 55.81 1x2q s TRP 53 Cb -0.15 -1.73 0.05 0.00 -1.15 0.00 0.00 33.47 30.48 1x2q s TRP 53 CO 0.01 0.24 0.30 0.21 0.02 0.00 0.00 176.95 177.74 1x2q s LYS 54 N -0.61 2.88 0.39 4.98 2.20 -0.61 -1.74 119.74 127.23 1x2q s LYS 54 Ca 0.09 -1.21 0.05 0.00 -0.36 0.00 0.00 55.97 54.54 1x2q s LYS 54 Cb -0.12 -3.94 -0.02 0.00 -1.51 0.00 0.00 37.83 32.24 1x2q s LYS 54 CO 0.02 -0.86 0.18 0.20 -0.36 0.00 0.00 175.35 174.53 1x2q s GLY 55 N 2.02 2.56 0.04 5.54 0.00 -1.21 0.31 107.32 116.58 1x2q s GLY 55 Ca 0.04 -1.46 0.03 0.00 0.00 0.00 0.00 44.72 43.33 1x2q s GLY 55 CO 0.07 -1.72 -0.10 1.85 0.00 0.00 0.00 173.10 173.20 1x2q s GLU 56 N -3.61 0.68 0.21 2.90 -6.30 0.36 -2.85 118.70 110.09 1x2q s GLU 56 Ca 0.28 -0.73 -0.05 0.00 -2.50 0.00 0.00 54.97 51.97 1x2q s GLU 56 Cb 0.02 -0.59 -0.03 0.00 0.00 0.00 0.00 34.13 33.54 1x2q s GLU 56 CO 0.19 0.13 0.25 0.54 0.02 0.00 0.00 175.26 176.39 1x2q s ASN 57 N -1.33 0.07 0.19 -1.70 2.20 0.14 0.19 114.94 114.70 1x2q s ASN 57 Ca -0.04 -1.22 -0.18 0.00 -0.94 0.00 0.00 52.86 50.49 1x2q s ASN 57 Cb -0.09 0.45 0.15 0.00 -2.00 0.00 0.00 41.25 39.76 1x2q s ASN 57 CO 0.01 -0.94 1.36 1.57 -2.94 0.00 0.00 177.10 176.16 1x2q n HIS 58 N -0.30 -0.06 -0.04 1.54 -0.00 -1.26 0.76 115.22 115.86 1x2q n HIS 58 Ca 0.00 1.08 -0.10 0.00 -0.00 0.00 0.00 57.72 58.71 1x2q n HIS 58 Cb 0.64 -0.77 -0.03 0.00 -0.00 0.00 0.00 29.99 29.83 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 -0.33 0.00 1.57 3.08 -1.96 -3.48 114.38 113.26 1x2q h ARG 59 Ca 0.27 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1x2q h ARG 59 Cb 0.49 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1x2q h ARG 59 CO -0.86 -0.22 0.00 0.41 -1.07 0.00 0.00 179.97 178.23 1x2q n GLY 60 N -1.41 -0.52 3.95 0.04 0.00 0.23 -5.14 105.19 102.33 1x2q n GLY 60 Ca -0.02 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.48 4.11 0.00 -0.61 1.09 -1.26 0.27 121.20 121.31 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 -3.41 0.00 0.00 -1.06 0.00 0.00 42.46 37.99 1x2q s ILE 61 CO 0.00 -0.19 0.00 0.61 -0.10 0.00 0.00 174.94 175.26 1x2q n GLY 62 N -1.52 1.50 3.88 6.18 0.00 -1.13 -4.69 105.19 109.41 1x2q n GLY 62 Ca -0.02 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 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 3.99 -0.07 0.99 2.01 -1.24 -3.34 118.68 121.02 1x2q s LEU 63 Ca 0.00 0.98 -0.32 0.00 0.01 0.00 0.00 54.13 54.80 1x2q s LEU 63 Cb 0.00 -3.81 0.12 0.00 0.01 0.00 0.00 46.19 42.51 1x2q s LEU 63 CO 0.00 -0.26 1.15 0.72 1.01 0.00 0.00 176.35 178.97 1x2q s PHE 64 N -2.14 -0.14 0.31 0.29 -0.71 -0.71 0.20 117.98 115.08 1x2q s PHE 64 Ca 0.49 0.04 -0.28 0.00 -1.04 0.00 0.00 56.93 56.13 1x2q s PHE 64 Cb -0.11 0.54 -0.09 0.00 -1.21 0.00 0.00 43.02 42.15 1x2q s PHE 64 CO 0.27 -0.35 1.07 -1.25 -1.34 0.00 0.00 175.22 173.63 1x2q s PRO 65 N -2.63 4.51 0.00 1.99 0.04 -1.26 0.19 135.00 137.83 1x2q s PRO 65 Ca 0.10 1.69 0.28 0.00 0.04 0.00 0.00 61.00 63.12 1x2q s PRO 65 Cb 0.01 -3.00 1.08 0.00 0.04 0.00 0.00 34.50 32.63 1x2q s PRO 65 CO -0.04 0.13 1.81 -1.13 0.04 0.00 0.00 177.00 177.80 1x2q n SER 66 N 0.82 0.14 -1.19 6.66 3.41 -1.25 -3.08 113.62 119.14 1x2q n SER 66 Ca 0.01 0.24 0.04 0.00 -0.26 0.00 0.00 58.87 58.89 1x2q n SER 66 Cb 0.46 -0.29 0.22 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.46 3.40 -0.03 4.04 3.02 -1.26 -3.43 115.26 119.54 1x2q n ASN 67 Ca 0.07 -2.44 0.02 0.00 -0.03 0.00 0.00 54.58 52.20 1x2q n ASN 67 Cb 0.33 -0.56 -0.01 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 0.39 0.00 -4.64 3.10 3.01 -1.18 -4.96 117.46 113.19 1x2q n PHE 68 Ca 0.15 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.30 1x2q n PHE 68 Cb 0.71 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.10 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 -1.15 1.41 -0.03 -4.37 -7.23 -1.22 0.12 120.40 107.92 1x2q s VAL 69 Ca 0.02 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 1x2q s VAL 69 Cb 0.03 -2.36 0.03 0.00 0.56 0.00 0.00 36.38 34.63 1x2q s VAL 69 CO 0.13 0.00 -0.01 0.28 -0.31 0.00 0.00 175.10 175.19 1x2q s THR 70 N -2.83 0.24 -0.90 5.32 -1.32 0.09 -4.75 115.64 111.50 1x2q s THR 70 Ca 0.15 0.05 -0.07 0.00 -1.21 0.00 0.00 61.69 60.62 1x2q s THR 70 Cb 0.03 -0.33 -0.06 0.00 -1.51 0.00 0.00 72.50 70.64 1x2q s THR 70 CO 0.08 0.16 2.08 0.35 -2.21 0.00 0.00 174.62 175.08 1x2q n THR 71 N 4.15 2.37 -2.76 5.08 -2.24 -1.26 -2.10 114.28 117.52 1x2q n THR 71 Ca -0.26 -1.45 0.03 0.00 -2.27 0.00 0.00 64.05 60.10 1x2q n THR 71 Cb 0.50 -2.14 0.01 0.00 -2.10 0.00 0.00 70.33 66.60 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 3.54 -0.11 0.15 3.42 2.47 -1.26 -5.05 114.94 118.10 1x2q s ASN 72 Ca 0.40 -0.04 -0.25 0.00 0.42 0.00 0.00 52.86 53.39 1x2q s ASN 72 Cb 0.10 0.28 0.01 0.00 -1.45 0.00 0.00 41.25 40.20 1x2q s ASN 72 CO -0.02 -0.01 1.60 -0.07 -3.72 0.00 0.00 177.10 174.87 1x2q h LEU 73 N 5.44 -1.08 0.00 3.21 3.38 -1.85 -3.42 115.31 120.99 1x2q h LEU 73 Ca -0.06 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1x2q h LEU 73 Cb 1.23 0.48 0.00 0.00 0.09 0.00 0.00 40.66 42.46 1x2q h LEU 73 CO -0.11 -0.34 0.00 -3.20 0.09 0.00 0.00 178.44 174.87 1x2q n ASN 74 N -5.41 0.00 -3.91 -0.43 5.15 -1.26 -4.84 115.26 104.56 1x2q n ASN 74 Ca -0.01 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.67 1x2q n ASN 74 Cb 0.33 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.43 1x2q n ASN 74 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1x2q s ILE 75 N 0.00 1.36 -0.15 -1.44 1.01 -1.26 -5.00 121.20 115.71 1x2q s ILE 75 Ca 0.00 -1.09 -0.11 0.00 0.00 0.00 0.00 60.65 59.45 1x2q s ILE 75 Cb 0.00 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 1x2q s ILE 75 CO 0.00 -0.10 -0.15 -0.62 0.00 0.00 0.00 174.94 174.07 1x2q n GLU 76 N 4.74 0.47 -3.64 2.79 1.02 -1.26 -5.02 120.64 119.73 1x2q n GLU 76 Ca -0.12 0.52 -0.06 0.00 -0.02 0.00 0.00 57.16 57.48 1x2q n GLU 76 Cb 0.45 -1.69 -0.07 0.00 -0.02 0.00 0.00 31.44 30.11 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 -2.28 0.00 0.60 2.62 -1.32 -1.26 -5.13 115.64 108.87 1x2q s THR 77 Ca -0.17 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.31 1x2q s THR 77 Cb 0.03 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 1x2q s THR 77 CO 0.26 0.00 0.00 1.21 -2.21 0.00 0.00 174.62 173.88 1x2q n GLU 78 N 3.81 -4.32 -2.73 7.08 2.13 -1.26 -5.00 120.64 120.34 1x2q n GLU 78 Ca -0.18 3.33 -0.05 0.00 0.66 0.00 0.00 57.16 60.92 1x2q n GLU 78 Cb 0.58 -4.10 0.03 0.00 0.27 0.00 0.00 31.44 28.22 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 -2.37 -2.21 -3.71 4.31 0.00 -1.26 -5.07 120.51 110.20 1x2q n ALA 79 Ca 0.00 -0.89 -0.29 0.00 0.00 0.00 0.00 53.44 52.26 1x2q n ALA 79 Cb 0.42 -1.89 -0.16 0.00 0.00 0.00 0.00 19.45 17.82 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 0.77 1.19 0.50 0.00 0.00 -1.26 -5.06 121.76 117.91 1x2q s ALA 80 Ca 0.29 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1x2q s ALA 80 Cb 0.10 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.83 1x2q s ALA 80 CO -0.12 -1.44 0.00 0.00 0.00 0.00 0.00 175.76 174.21 1x2q n ALA 81 N 4.98 -1.88 0.07 0.00 0.00 -1.26 -4.83 120.51 117.59 1x2q n ALA 81 Ca -0.06 0.43 -0.19 0.00 0.00 0.00 0.00 53.44 53.62 1x2q n ALA 81 Cb 0.44 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.39 1x2q n ALA 81 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1x2q h VAL 82 N 1.11 1.10 -3.61 0.00 -1.51 -2.03 -3.51 116.25 107.81 1x2q h VAL 82 Ca 0.00 -2.72 0.12 0.00 -1.23 0.00 0.00 66.70 62.87 1x2q h VAL 82 Cb 0.27 2.77 -0.07 0.00 -2.13 0.00 0.00 31.29 32.13 1x2q h VAL 82 CO 0.00 0.82 -1.07 -0.24 -1.23 0.00 0.00 177.57 175.86 1x2q n SER 83 N -3.49 -8.13 0.00 4.19 2.88 -1.26 -4.90 113.62 102.91 1x2q n SER 83 Ca -0.18 1.71 0.00 0.00 -1.33 0.00 0.00 58.87 59.07 1x2q n SER 83 Cb 1.05 -4.97 0.00 0.00 -0.75 0.00 0.00 64.21 59.55 1x2q n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x2q n GLY 84 N -3.20 -1.76 2.96 0.46 0.00 -1.26 -4.42 105.19 97.96 1x2q n GLY 84 Ca -0.03 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 1x2q n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x2q n PRO 85 N 0.00 2.15 -3.39 1.61 -0.04 -1.26 -4.57 135.00 129.49 1x2q n PRO 85 Ca 0.00 -2.24 -0.27 0.00 -0.04 0.00 0.00 63.50 60.96 1x2q n PRO 85 Cb 0.00 -3.12 0.03 0.00 -0.04 0.00 0.00 33.50 30.36 1x2q n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x2q n SER 86 N 7.11 -5.77 -0.05 3.54 2.88 -1.26 -4.91 113.62 115.15 1x2q n SER 86 Ca 0.51 0.02 -0.06 0.00 -1.33 0.00 0.00 58.87 58.01 1x2q n SER 86 Cb 0.40 -1.57 -0.05 0.00 -0.75 0.00 0.00 64.21 62.24 1x2q n SER 86 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1x2q h SER 87 N 2.57 -0.02 0.00 -3.46 0.02 -1.81 -3.52 113.55 107.34 1x2q h SER 87 Ca -0.39 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.19 1x2q h SER 87 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1x2q h SER 87 CO 0.15 0.66 0.00 0.61 -1.14 0.00 0.00 176.83 177.11