#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 0.93 -1.09 1.61 2.88 -1.26 -5.15 113.62 111.54 1x2q n SER 2 Ca 0.00 0.13 0.14 0.00 -1.33 0.00 0.00 58.87 57.81 1x2q n SER 2 Cb 0.00 -0.27 -0.06 0.00 -0.75 0.00 0.00 64.21 63.13 1x2q n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x2q n SER 3 N -3.43 -6.45 0.00 -3.46 7.64 -1.26 -5.04 113.62 101.62 1x2q n SER 3 Ca 0.00 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.72 1x2q n SER 3 Cb 0.07 -3.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.70 1x2q n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x2q n GLY 4 N -3.85 0.72 3.23 0.23 0.00 -1.26 -5.12 105.19 99.13 1x2q n GLY 4 Ca -0.04 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 1x2q n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x2q s SER 5 N -1.26 3.53 0.98 1.61 0.15 -1.26 -5.11 113.70 112.34 1x2q s SER 5 Ca 0.00 -0.52 -0.14 0.00 0.70 0.00 0.00 55.95 55.99 1x2q s SER 5 Cb 0.00 -1.54 0.02 0.00 -1.71 0.00 0.00 66.02 62.78 1x2q s SER 5 CO 0.00 0.06 0.17 -0.24 1.20 0.00 0.00 173.24 174.43 1x2q n SER 6 N 4.24 -2.63 -4.48 5.45 2.88 -1.26 -4.86 113.62 112.96 1x2q n SER 6 Ca -0.19 0.25 -0.43 0.00 -1.33 0.00 0.00 58.87 57.17 1x2q n SER 6 Cb 0.51 -1.11 -0.04 0.00 -0.75 0.00 0.00 64.21 62.83 1x2q n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x2q s GLY 7 N -1.85 1.28 0.31 0.46 0.00 -1.26 -4.56 107.32 101.69 1x2q s GLY 7 Ca 0.54 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1x2q s GLY 7 CO 0.69 2.18 0.00 -1.14 0.00 0.00 0.00 173.10 174.83 1x2q n SER 8 N 8.02 -1.37 -4.60 1.64 3.41 -1.26 -5.06 113.62 114.41 1x2q n SER 8 Ca -0.02 0.56 -0.43 0.00 -0.26 0.00 0.00 58.87 58.72 1x2q n SER 8 Cb 0.46 1.43 -0.03 0.00 -0.26 0.00 0.00 64.21 65.82 1x2q n SER 8 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x2q s GLU 9 N -2.00 3.40 0.01 4.33 2.02 -1.26 -4.78 118.70 120.41 1x2q s GLU 9 Ca 0.00 1.25 -0.00 0.00 0.02 0.00 0.00 54.97 56.24 1x2q s GLU 9 Cb 0.00 -4.15 -0.00 0.00 0.10 0.00 0.00 34.13 30.08 1x2q s GLU 9 CO 0.00 -1.78 -0.00 -0.89 0.02 0.00 0.00 175.26 172.60 1x2q n ILE 10 N 7.30 0.12 -2.42 -1.63 5.41 -1.26 -5.12 119.36 121.76 1x2q n ILE 10 Ca 0.21 0.10 -0.05 0.00 1.00 0.00 0.00 62.75 64.01 1x2q n ILE 10 Cb 0.47 -1.13 -0.04 0.00 -0.71 0.00 0.00 39.64 38.24 1x2q n ILE 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1x2q n GLN 11 N -2.60 -4.07 -3.74 0.38 6.02 -1.26 -4.99 117.38 107.11 1x2q n GLN 11 Ca -0.00 3.12 -0.36 0.00 -0.01 0.00 0.00 57.00 59.74 1x2q n GLN 11 Cb 0.01 -4.50 -0.07 0.00 1.02 0.00 0.00 30.24 26.69 1x2q n GLN 11 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1x2q s LEU 12 N -0.57 4.30 -0.02 1.08 2.96 -1.26 -5.09 118.68 120.09 1x2q s LEU 12 Ca -0.23 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1x2q s LEU 12 Cb 0.02 -2.16 0.01 0.00 0.50 0.00 0.00 46.19 44.56 1x2q s LEU 12 CO 0.62 0.27 -0.04 0.20 -1.32 0.00 0.00 176.35 176.08 1x2q s ASN 13 N -0.26 0.74 -0.01 3.68 -0.87 -1.26 -5.04 114.94 111.91 1x2q s ASN 13 Ca 0.13 -0.10 -0.21 0.00 -1.57 0.00 0.00 52.86 51.11 1x2q s ASN 13 Cb -0.12 -0.24 -0.24 0.00 -0.02 0.00 0.00 41.25 40.63 1x2q s ASN 13 CO 0.02 -0.00 1.08 -0.55 -2.57 0.00 0.00 177.10 175.08 1x2q h ASN 14 N 6.63 0.45 -4.29 -1.22 7.08 -2.06 -3.45 115.58 118.71 1x2q h ASN 14 Ca -0.35 -0.77 -0.52 0.00 -3.08 0.00 0.00 56.30 51.59 1x2q h ASN 14 Cb 1.17 -0.14 0.16 0.00 -2.08 0.00 0.00 38.32 37.43 1x2q h ASN 14 CO 0.49 1.16 0.28 -0.75 -2.08 0.00 0.00 177.43 176.52 1x2q s LYS 15 N -3.17 1.71 -0.22 4.14 2.20 -1.26 -5.01 119.74 118.13 1x2q s LYS 15 Ca -0.14 1.36 -0.04 0.00 -0.36 0.00 0.00 55.97 56.79 1x2q s LYS 15 Cb 0.03 -1.82 -0.01 0.00 -1.51 0.00 0.00 37.83 34.51 1x2q s LYS 15 CO 0.80 -2.09 -0.02 0.14 -0.36 0.00 0.00 175.35 173.82 1x2q s VAL 16 N -2.75 3.62 0.18 4.02 -7.23 -1.26 -5.09 120.40 111.88 1x2q s VAL 16 Ca 0.64 -0.41 0.04 0.00 -1.81 0.00 0.00 61.98 60.44 1x2q s VAL 16 Cb -0.20 -2.65 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 1x2q s VAL 16 CO 0.56 0.42 -0.06 0.00 -0.31 0.00 0.00 175.10 175.71 1x2q s ALA 17 N 1.35 1.58 -0.67 1.32 0.00 -1.26 -5.09 121.76 118.99 1x2q s ALA 17 Ca 0.04 -1.60 -0.27 0.00 0.00 0.00 0.00 51.96 50.13 1x2q s ALA 17 Cb -0.14 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1x2q s ALA 17 CO -0.01 -0.17 1.39 0.50 0.00 0.00 0.00 175.76 177.48 1x2q s ARG 18 N -3.80 3.15 0.29 0.00 3.52 -1.23 -4.93 118.95 115.95 1x2q s ARG 18 Ca 0.22 0.07 -0.12 0.00 -0.13 0.00 0.00 55.73 55.76 1x2q s ARG 18 Cb 0.04 -4.19 -0.08 0.00 -1.56 0.00 0.00 34.95 29.16 1x2q s ARG 18 CO 0.04 -2.17 0.66 0.15 -0.81 0.00 0.00 175.30 173.17 1x2q s LYS 19 N 5.85 3.90 -0.08 5.12 1.02 -1.26 0.19 119.74 134.48 1x2q s LYS 19 Ca 0.44 0.49 -0.15 0.00 0.02 0.00 0.00 55.97 56.77 1x2q s LYS 19 Cb -0.09 -2.52 0.03 0.00 -0.52 0.00 0.00 37.83 34.73 1x2q s LYS 19 CO 0.19 0.21 0.36 0.14 -0.92 0.00 0.00 175.35 175.33 1x2q s VAL 20 N -1.93 0.03 -0.23 3.17 -7.23 0.12 -4.53 120.40 109.79 1x2q s VAL 20 Ca 0.51 -0.22 -0.09 0.00 -1.81 0.00 0.00 61.98 60.37 1x2q s VAL 20 Cb -0.11 -0.59 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 1x2q s VAL 20 CO 0.20 -0.12 0.11 -0.60 -0.31 0.00 0.00 175.10 174.37 1x2q s ARG 21 N -0.57 3.89 0.15 4.82 3.52 -0.86 0.87 118.95 130.77 1x2q s ARG 21 Ca -0.07 -0.37 -0.32 0.00 -0.13 0.00 0.00 55.73 54.84 1x2q s ARG 21 Cb -0.04 -3.40 -0.12 0.00 -1.56 0.00 0.00 34.95 29.84 1x2q s ARG 21 CO 0.03 -0.00 1.75 0.00 -0.81 0.00 0.00 175.30 176.26 1x2q n ALA 22 N 4.42 2.20 0.02 6.12 0.00 0.82 -0.83 120.51 133.25 1x2q n ALA 22 Ca -0.16 0.37 -0.22 0.00 0.00 0.00 0.00 53.44 53.44 1x2q n ALA 22 Cb 0.52 -2.51 -0.14 0.00 0.00 0.00 0.00 19.45 17.31 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 7.41 0.42 -9.63 0.00 3.38 -0.50 0.49 115.31 116.89 1x2q h LEU 23 Ca -0.45 -0.87 -0.62 0.00 0.09 0.00 0.00 57.88 56.02 1x2q h LEU 23 Cb 1.22 -0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.71 1x2q h LEU 23 CO 0.94 1.68 -0.61 -0.31 0.09 0.00 0.00 178.44 180.23 1x2q s TYR 24 N -2.50 2.50 -0.35 1.13 2.02 -1.24 -4.62 117.35 114.30 1x2q s TYR 24 Ca -0.20 -0.63 -0.22 0.00 -0.37 0.00 0.00 57.07 55.66 1x2q s TYR 24 Cb 0.05 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 1x2q s TYR 24 CO 0.78 0.46 0.71 0.16 -1.57 0.00 0.00 175.55 176.09 1x2q s ASP 25 N -3.70 6.52 0.47 2.29 -4.77 -1.26 -2.85 116.67 113.36 1x2q s ASP 25 Ca 0.35 0.34 0.07 0.00 -3.30 0.00 0.00 52.55 50.01 1x2q s ASP 25 Cb 0.08 -2.37 0.01 0.00 -1.09 0.00 0.00 42.92 39.55 1x2q s ASP 25 CO 0.18 -0.64 0.44 0.12 0.70 0.00 0.00 175.17 175.98 1x2q s PHE 26 N 2.88 2.30 -0.30 2.11 5.36 -0.28 -4.88 117.98 125.18 1x2q s PHE 26 Ca 0.28 -0.60 -0.12 0.00 -0.96 0.00 0.00 56.93 55.54 1x2q s PHE 26 Cb -0.14 -2.13 0.13 0.00 -0.34 0.00 0.00 43.02 40.55 1x2q s PHE 26 CO 0.15 -0.34 0.73 -2.00 -1.46 0.00 0.00 175.22 172.30 1x2q s GLU 27 N -4.24 0.53 0.13 10.12 2.12 -1.26 -3.81 118.70 122.29 1x2q s GLU 27 Ca 0.47 1.27 -0.34 0.00 0.36 0.00 0.00 54.97 56.73 1x2q s GLU 27 Cb -0.04 0.70 -0.17 0.00 0.26 0.00 0.00 34.13 34.89 1x2q s GLU 27 CO 0.28 -0.17 1.05 0.00 -0.54 0.00 0.00 175.26 175.87 1x2q n ALA 28 N 5.21 -1.81 -0.06 6.30 0.00 -1.22 -4.87 120.51 124.06 1x2q n ALA 28 Ca -0.12 0.49 -0.07 0.00 0.00 0.00 0.00 53.44 53.74 1x2q n ALA 28 Cb 0.51 -1.90 -0.08 0.00 0.00 0.00 0.00 19.45 17.98 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 1.31 0.76 -2.84 0.00 3.14 -1.26 -5.03 118.33 114.40 1x2q n VAL 29 Ca 0.17 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 1x2q n VAL 29 Cb 0.20 -0.80 0.00 0.00 -1.06 0.00 0.00 33.84 32.19 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 -2.56 1.40 -1.84 1.45 1.02 -1.26 -5.02 120.64 113.84 1x2q n GLU 30 Ca -0.20 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.59 1x2q n GLU 30 Cb 0.83 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 32.29 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 -2.40 6.89 0.00 1.62 8.00 -1.26 -4.34 116.55 125.07 1x2q n ASP 31 Ca 0.00 -3.80 0.00 0.00 0.71 0.00 0.00 54.79 51.70 1x2q n ASP 31 Cb 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 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 -0.66 0.00 -4.47 -2.24 5.15 -1.26 -5.17 115.26 106.60 1x2q n ASN 32 Ca 0.53 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 54.24 1x2q n ASN 32 Cb 0.50 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.67 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 1.97 -0.16 1.20 2.02 -1.26 -3.74 118.70 118.73 1x2q s GLU 33 Ca 0.00 -2.19 -0.10 0.00 0.02 0.00 0.00 54.97 52.69 1x2q s GLU 33 Cb 0.00 -1.13 -0.05 0.00 0.10 0.00 0.00 34.13 33.06 1x2q s GLU 33 CO 0.00 -0.32 0.18 -1.17 0.02 0.00 0.00 175.26 173.97 1x2q s LEU 34 N -3.69 4.27 -0.32 1.80 0.20 0.54 -4.09 118.68 117.40 1x2q s LEU 34 Ca 0.22 0.38 -0.04 0.00 0.69 0.00 0.00 54.13 55.38 1x2q s LEU 34 Cb 0.05 -2.17 0.05 0.00 -0.43 0.00 0.00 46.19 43.68 1x2q s LEU 34 CO 0.11 0.22 0.05 -0.89 -0.29 0.00 0.00 176.35 175.56 1x2q s THR 35 N -0.02 3.36 0.26 3.68 2.01 -1.26 -3.38 115.64 120.30 1x2q s THR 35 Ca 0.12 -1.28 -0.08 0.00 0.31 0.00 0.00 61.69 60.76 1x2q s THR 35 Cb -0.12 -2.92 -0.01 0.00 0.01 0.00 0.00 72.50 69.46 1x2q s THR 35 CO 0.01 -0.15 0.42 0.72 -0.69 0.00 0.00 174.62 174.94 1x2q s PHE 36 N 1.32 0.66 0.49 4.92 -0.12 -1.25 -4.82 117.98 119.19 1x2q s PHE 36 Ca -0.03 -0.98 0.01 0.00 -0.05 0.00 0.00 56.93 55.88 1x2q s PHE 36 Cb -0.20 0.01 -0.00 0.00 -0.63 0.00 0.00 43.02 42.20 1x2q s PHE 36 CO 0.01 -0.98 0.03 1.63 -0.05 0.00 0.00 175.22 175.86 1x2q n LYS 37 N -0.41 0.73 -2.35 1.99 5.02 -1.26 -1.12 118.16 120.76 1x2q n LYS 37 Ca -0.00 -3.68 -0.37 0.00 -2.02 0.00 0.00 58.31 52.23 1x2q n LYS 37 Cb 0.62 1.16 -0.02 0.00 -0.02 0.00 0.00 35.03 36.77 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 -2.89 3.07 0.00 2.13 5.65 -1.13 -3.15 115.29 118.96 1x2q s HIS 38 Ca 0.04 1.57 0.00 0.00 0.25 0.00 0.00 55.06 56.92 1x2q s HIS 38 Cb 0.00 -3.32 0.00 0.00 -1.18 0.00 0.00 32.58 28.08 1x2q s HIS 38 CO 0.03 -1.19 0.00 0.41 -0.65 0.00 0.00 174.74 173.34 1x2q n GLY 39 N 0.51 2.01 3.58 1.59 0.00 0.17 -4.94 105.19 108.12 1x2q n GLY 39 Ca 0.05 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 1.22 -3.44 1.61 1.02 -1.19 -4.30 120.64 115.56 1x2q n GLU 40 Ca 0.00 0.44 -0.35 0.00 -0.02 0.00 0.00 57.16 57.22 1x2q n GLU 40 Cb 0.00 -1.90 -0.06 0.00 -0.02 0.00 0.00 31.44 29.47 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 -1.24 4.95 -0.04 -3.67 -1.09 -1.26 -0.13 121.20 118.72 1x2q s ILE 41 Ca 0.62 0.69 0.01 0.00 -2.23 0.00 0.00 60.65 59.74 1x2q s ILE 41 Cb -0.61 -3.70 0.02 0.00 -1.58 0.00 0.00 42.46 36.59 1x2q s ILE 41 CO 0.58 0.27 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.91 1x2q s ILE 42 N -1.43 0.31 -0.44 2.92 1.09 0.25 -4.48 121.20 119.43 1x2q s ILE 42 Ca 0.36 0.01 -0.19 0.00 -1.10 0.00 0.00 60.65 59.72 1x2q s ILE 42 Cb -0.15 -0.38 0.03 0.00 -1.06 0.00 0.00 42.46 40.90 1x2q s ILE 42 CO 0.19 0.18 0.55 -0.63 -0.10 0.00 0.00 174.94 175.13 1x2q s ILE 43 N 0.99 4.94 -0.10 2.92 1.09 0.45 0.15 121.20 131.64 1x2q s ILE 43 Ca -0.10 -0.13 -0.30 0.00 -1.10 0.00 0.00 60.65 59.02 1x2q s ILE 43 Cb -0.14 -4.14 -0.03 0.00 -1.06 0.00 0.00 42.46 37.09 1x2q s ILE 43 CO -0.01 -0.54 1.34 -0.69 -0.10 0.00 0.00 174.94 174.93 1x2q s VAL 44 N 2.52 4.07 -0.08 2.92 1.01 0.49 0.18 120.40 131.51 1x2q s VAL 44 Ca 0.18 1.35 0.13 0.00 0.00 0.00 0.00 61.98 63.63 1x2q s VAL 44 Cb -0.16 -3.87 -0.24 0.00 0.00 0.00 0.00 36.38 32.12 1x2q s VAL 44 CO 0.16 -0.08 0.52 0.18 0.00 0.00 0.00 175.10 175.88 1x2q n LEU 45 N 6.21 0.78 -3.74 3.92 4.77 0.47 -3.47 117.00 125.95 1x2q n LEU 45 Ca 0.14 0.32 -0.12 0.00 -0.03 0.00 0.00 56.01 56.31 1x2q n LEU 45 Cb 0.45 0.18 -0.12 0.00 -2.33 0.00 0.00 43.42 41.60 1x2q n LEU 45 CO 0.57 0.43 -0.04 -1.81 -1.33 0.00 0.00 177.39 175.21 1x2q s ASP 46 N -6.00 -0.34 -0.37 -1.43 1.01 0.01 -5.02 116.67 104.52 1x2q s ASP 46 Ca -0.07 0.64 0.12 0.00 0.71 0.00 0.00 52.55 53.96 1x2q s ASP 46 Cb 0.08 0.58 0.44 0.00 1.01 0.00 0.00 42.92 45.03 1x2q s ASP 46 CO 0.82 -0.14 1.02 -0.90 0.21 0.00 0.00 175.17 176.18 1x2q n ASP 47 N 3.63 2.86 -0.07 0.27 5.75 -1.26 -1.68 116.55 126.05 1x2q n ASP 47 Ca -0.19 -3.15 -0.13 0.00 -0.01 0.00 0.00 54.79 51.31 1x2q n ASP 47 Cb 0.56 -0.50 -0.11 0.00 -1.03 0.00 0.00 41.12 40.03 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 2.82 0.00 -3.59 -1.12 0.02 -1.97 -3.44 113.55 106.26 1x2q h SER 48 Ca 0.07 -0.83 -0.62 0.00 -0.84 0.00 0.00 61.79 59.57 1x2q h SER 48 Cb 1.07 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.46 1x2q h SER 48 CO 0.65 0.97 -0.44 -0.62 -1.14 0.00 0.00 176.83 176.25 1x2q s ASP 49 N -6.18 6.17 0.47 3.07 2.15 -1.26 -4.95 116.67 116.15 1x2q s ASP 49 Ca -0.17 0.18 0.27 0.00 0.43 0.00 0.00 52.55 53.25 1x2q s ASP 49 Cb -0.02 -2.13 0.92 0.00 -0.30 0.00 0.00 42.92 41.39 1x2q s ASP 49 CO 0.59 0.02 1.82 0.00 -0.17 0.00 0.00 175.17 177.44 1x2q h ALA 50 N 7.58 0.98 -0.39 3.66 0.00 -1.99 -2.89 119.26 126.21 1x2q h ALA 50 Ca -0.37 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 1x2q h ALA 50 Cb 1.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1x2q h ALA 50 CO 0.66 0.15 -0.36 -0.91 0.00 0.00 0.00 179.25 178.79 1x2q h ASN 51 N 0.00 0.99 -3.41 0.00 2.35 -1.93 -3.34 115.58 110.25 1x2q h ASN 51 Ca -0.00 -0.46 -0.40 0.00 -0.55 0.00 0.00 56.30 54.89 1x2q h ASN 51 Cb 0.75 -0.28 -0.35 0.00 0.05 0.00 0.00 38.32 38.49 1x2q h ASN 51 CO 0.02 1.24 -0.77 0.26 -1.65 0.00 0.00 177.43 176.53 1x2q s TRP 52 N -4.43 0.65 -0.11 1.19 0.52 -1.09 -4.38 118.94 111.29 1x2q s TRP 52 Ca -0.11 -0.16 0.00 0.00 0.02 0.00 0.00 56.10 55.85 1x2q s TRP 52 Cb 0.11 -0.66 -0.02 0.00 -1.15 0.00 0.00 33.47 31.76 1x2q s TRP 52 CO 0.88 -0.22 -0.12 -1.58 0.02 0.00 0.00 176.95 175.93 1x2q s TRP 53 N 1.23 2.83 -0.42 -1.98 0.52 0.38 -4.02 118.94 117.47 1x2q s TRP 53 Ca -0.06 -0.43 -0.17 0.00 0.02 0.00 0.00 56.10 55.45 1x2q s TRP 53 Cb -0.14 -1.80 0.02 0.00 -1.15 0.00 0.00 33.47 30.41 1x2q s TRP 53 CO -0.02 -0.05 0.42 0.21 0.02 0.00 0.00 176.95 177.53 1x2q s LYS 54 N 0.01 3.09 0.35 4.98 2.20 -0.68 -1.88 119.74 127.82 1x2q s LYS 54 Ca -0.03 -0.78 0.05 0.00 -0.36 0.00 0.00 55.97 54.85 1x2q s LYS 54 Cb -0.14 -3.97 -0.03 0.00 -1.51 0.00 0.00 37.83 32.18 1x2q s LYS 54 CO 0.04 -0.84 0.21 0.20 -0.36 0.00 0.00 175.35 174.60 1x2q s GLY 55 N 1.80 2.39 0.03 5.54 0.00 -1.21 0.18 107.32 116.05 1x2q s GLY 55 Ca 0.11 -1.71 0.03 0.00 0.00 0.00 0.00 44.72 43.15 1x2q s GLY 55 CO 0.13 -1.61 -0.09 1.85 0.00 0.00 0.00 173.10 173.38 1x2q s GLU 56 N -3.60 0.62 0.21 2.90 -6.30 0.48 -2.85 118.70 110.16 1x2q s GLU 56 Ca 0.34 -0.63 -0.04 0.00 -2.50 0.00 0.00 54.97 52.13 1x2q s GLU 56 Cb 0.03 -0.51 -0.03 0.00 0.00 0.00 0.00 34.13 33.62 1x2q s GLU 56 CO 0.21 0.12 0.22 0.54 0.02 0.00 0.00 175.26 176.37 1x2q s ASN 57 N -1.12 0.09 0.20 -1.70 2.20 0.13 0.17 114.94 114.91 1x2q s ASN 57 Ca -0.04 -1.23 -0.17 0.00 -0.94 0.00 0.00 52.86 50.48 1x2q s ASN 57 Cb -0.08 0.43 0.19 0.00 -2.00 0.00 0.00 41.25 39.80 1x2q s ASN 57 CO 0.01 -0.91 1.39 0.00 -2.94 0.00 0.00 177.10 174.64 1x2q n HIS 58 N -0.28 -0.01 -0.04 1.54 1.44 -1.26 0.76 115.22 117.36 1x2q n HIS 58 Ca 0.00 1.11 -0.09 0.00 -2.01 0.00 0.00 57.72 56.72 1x2q n HIS 58 Cb 0.65 -0.81 -0.03 0.00 0.12 0.00 0.00 29.99 29.91 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 -0.32 0.00 -1.40 3.08 -1.95 -3.48 114.38 110.31 1x2q h ARG 59 Ca 0.30 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1x2q h ARG 59 Cb 0.52 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1x2q h ARG 59 CO -0.89 -0.21 0.00 0.41 -1.07 0.00 0.00 179.97 178.21 1x2q n GLY 60 N -1.41 -0.52 3.95 0.04 0.00 0.23 -5.13 105.19 102.36 1x2q n GLY 60 Ca -0.02 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.37 3.95 0.00 -0.61 1.09 -1.26 0.17 121.20 121.16 1x2q s ILE 61 Ca 0.00 -1.09 0.00 0.00 -1.10 0.00 0.00 60.65 58.46 1x2q s ILE 61 Cb 0.00 -3.36 0.00 0.00 -1.06 0.00 0.00 42.46 38.04 1x2q s ILE 61 CO 0.00 -0.16 0.00 0.61 -0.10 0.00 0.00 174.94 175.29 1x2q n GLY 62 N -1.57 1.83 3.87 6.18 0.00 -1.13 -4.67 105.19 109.71 1x2q n GLY 62 Ca -0.01 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 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 4.10 0.00 0.99 2.01 -1.25 -3.32 118.68 121.21 1x2q s LEU 63 Ca 0.00 1.00 -0.29 0.00 0.01 0.00 0.00 54.13 54.85 1x2q s LEU 63 Cb 0.00 -3.79 0.10 0.00 0.01 0.00 0.00 46.19 42.51 1x2q s LEU 63 CO 0.00 -0.15 0.98 0.72 1.01 0.00 0.00 176.35 178.92 1x2q s PHE 64 N -1.94 -0.24 0.30 0.29 -0.71 -0.79 0.20 117.98 115.09 1x2q s PHE 64 Ca 0.49 0.08 -0.29 0.00 -1.04 0.00 0.00 56.93 56.18 1x2q s PHE 64 Cb -0.11 0.56 -0.09 0.00 -1.21 0.00 0.00 43.02 42.17 1x2q s PHE 64 CO 0.22 -0.53 1.07 -1.25 -1.34 0.00 0.00 175.22 173.39 1x2q s PRO 65 N -3.00 4.58 0.00 1.99 0.04 -1.26 0.14 135.00 137.49 1x2q s PRO 65 Ca 0.08 1.72 0.27 0.00 0.04 0.00 0.00 61.00 63.11 1x2q s PRO 65 Cb -0.01 -3.08 1.32 0.00 0.04 0.00 0.00 34.50 32.77 1x2q s PRO 65 CO -0.05 0.18 1.92 0.43 0.04 0.00 0.00 177.00 179.52 1x2q n SER 66 N 1.00 0.00 -1.23 6.66 7.64 -1.25 -2.73 113.62 123.70 1x2q n SER 66 Ca -0.00 0.06 0.04 0.00 1.01 0.00 0.00 58.87 59.98 1x2q n SER 66 Cb 0.46 -0.34 0.22 0.00 -1.01 0.00 0.00 64.21 63.53 1x2q n SER 66 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x2q n ASN 67 N -1.34 3.51 0.00 6.43 5.15 -1.26 -3.45 115.26 124.30 1x2q n ASN 67 Ca 0.11 -2.47 0.00 0.00 -0.60 0.00 0.00 54.58 51.62 1x2q n ASN 67 Cb 0.25 -0.58 0.00 0.00 -0.53 0.00 0.00 39.78 38.92 1x2q n ASN 67 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1x2q n PHE 68 N 0.37 0.00 -4.32 1.20 3.01 -1.11 -4.92 117.46 111.70 1x2q n PHE 68 Ca 0.15 -0.34 -0.19 0.00 1.01 0.00 0.00 57.45 58.08 1x2q n PHE 68 Cb 0.74 -0.03 -0.09 0.00 -0.01 0.00 0.00 39.48 40.09 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 -0.68 0.17 -0.02 -4.37 -7.23 -1.22 0.24 120.40 107.28 1x2q s VAL 69 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1x2q s VAL 69 Cb 0.00 -2.48 0.02 0.00 0.56 0.00 0.00 36.38 34.48 1x2q s VAL 69 CO 0.00 0.00 0.01 0.28 -0.31 0.00 0.00 175.10 175.08 1x2q s THR 70 N -3.55 0.04 -0.89 5.32 -1.32 -0.01 -4.71 115.64 110.52 1x2q s THR 70 Ca 0.37 0.13 -0.06 0.00 -1.21 0.00 0.00 61.69 60.92 1x2q s THR 70 Cb 0.04 -0.14 -0.08 0.00 -1.51 0.00 0.00 72.50 70.80 1x2q s THR 70 CO 0.21 0.10 2.36 0.35 -2.21 0.00 0.00 174.62 175.42 1x2q n THR 71 N 3.98 2.72 -2.73 5.08 -2.24 -1.26 -2.02 114.28 117.81 1x2q n THR 71 Ca -0.25 -1.59 0.00 0.00 -2.27 0.00 0.00 64.05 59.95 1x2q n THR 71 Cb 0.52 -2.17 0.01 0.00 -2.10 0.00 0.00 70.33 66.59 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 2.98 -0.28 0.18 3.42 3.84 -1.26 -5.04 114.94 118.77 1x2q s ASN 72 Ca 0.46 -0.19 -0.22 0.00 0.21 0.00 0.00 52.86 53.11 1x2q s ASN 72 Cb 0.14 0.36 0.08 0.00 -0.55 0.00 0.00 41.25 41.28 1x2q s ASN 72 CO -0.03 -0.03 1.59 -0.07 -2.79 0.00 0.00 177.10 175.77 1x2q h LEU 73 N 5.05 -1.20 -7.63 3.21 3.38 -1.85 -3.42 115.31 112.84 1x2q h LEU 73 Ca -0.03 0.22 -0.19 0.00 0.09 0.00 0.00 57.88 57.97 1x2q h LEU 73 Cb 1.22 0.57 -0.26 0.00 0.09 0.00 0.00 40.66 42.28 1x2q h LEU 73 CO -0.09 -0.32 -0.57 0.20 0.09 0.00 0.00 178.44 177.76 1x2q s ASN 74 N -5.13 -0.10 -0.46 -0.43 -0.87 -1.26 -4.86 114.94 101.83 1x2q s ASN 74 Ca -0.14 0.18 -0.27 0.00 -1.57 0.00 0.00 52.86 51.05 1x2q s ASN 74 Cb 0.14 0.25 -0.02 0.00 -0.02 0.00 0.00 41.25 41.60 1x2q s ASN 74 CO 0.68 -0.09 1.84 -0.63 -2.57 0.00 0.00 177.10 176.33 1x2q s ILE 75 N -0.15 3.42 -0.29 0.60 1.09 -1.26 -3.90 121.20 120.70 1x2q s ILE 75 Ca -0.02 0.36 -0.02 0.00 -1.10 0.00 0.00 60.65 59.86 1x2q s ILE 75 Cb -0.02 -3.77 0.00 0.00 -1.06 0.00 0.00 42.46 37.62 1x2q s ILE 75 CO 0.00 -0.62 0.08 1.21 -0.10 0.00 0.00 174.94 175.51 1x2q n GLU 76 N 8.77 -3.02 -5.17 2.79 4.07 -1.26 -5.03 120.64 121.80 1x2q n GLU 76 Ca 0.22 2.49 -0.32 0.00 -0.06 0.00 0.00 57.16 59.49 1x2q n GLU 76 Cb 0.50 -5.01 -0.16 0.00 -0.06 0.00 0.00 31.44 26.71 1x2q n GLU 76 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1x2q s THR 77 N -1.62 2.23 -0.67 6.31 -1.32 -1.25 -5.08 115.64 114.25 1x2q s THR 77 Ca 0.03 -0.98 -0.27 0.00 -1.21 0.00 0.00 61.69 59.26 1x2q s THR 77 Cb -0.01 -1.85 0.03 0.00 -1.51 0.00 0.00 72.50 69.16 1x2q s THR 77 CO 0.71 0.56 1.29 -1.61 -2.21 0.00 0.00 174.62 173.35 1x2q s GLU 78 N 0.09 3.28 0.42 7.08 0.41 -1.26 -4.39 118.70 124.32 1x2q s GLU 78 Ca -0.10 0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.47 1x2q s GLU 78 Cb -0.16 -4.13 0.00 0.00 -1.78 0.00 0.00 34.13 28.06 1x2q s GLU 78 CO 0.06 -2.00 0.00 0.00 -0.49 0.00 0.00 175.26 172.83 1x2q n ALA 79 N 9.23 0.30 -1.77 5.21 0.00 -1.26 -5.12 120.51 127.10 1x2q n ALA 79 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.12 1x2q n ALA 79 Cb 0.49 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.88 3.23 0.03 0.00 0.00 -1.26 -5.05 121.76 116.81 1x2q s ALA 80 Ca 0.00 0.68 0.05 0.00 0.00 0.00 0.00 51.96 52.70 1x2q s ALA 80 Cb 0.00 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1x2q s ALA 80 CO 0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 175.76 175.57 1x2q s ALA 81 N -1.48 1.27 -0.37 0.00 0.00 -1.26 -5.12 121.76 114.81 1x2q s ALA 81 Ca 0.51 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.58 1x2q s ALA 81 Cb -0.24 -0.24 0.05 0.00 0.00 0.00 0.00 23.12 22.69 1x2q s ALA 81 CO 0.30 0.27 0.17 0.14 0.00 0.00 0.00 175.76 176.63 1x2q s VAL 82 N -0.71 4.08 -0.16 0.00 -7.23 -1.26 -5.04 120.40 110.07 1x2q s VAL 82 Ca 0.03 -1.14 -0.07 0.00 -1.81 0.00 0.00 61.98 58.99 1x2q s VAL 82 Cb -0.07 -3.35 0.07 0.00 0.56 0.00 0.00 36.38 33.58 1x2q s VAL 82 CO 0.01 -0.28 0.35 -0.94 -0.31 0.00 0.00 175.10 173.93 1x2q s SER 83 N 1.61 -0.18 0.00 4.85 1.04 -1.26 -5.14 113.70 114.62 1x2q s SER 83 Ca 0.01 0.80 0.00 0.00 0.48 0.00 0.00 55.95 57.23 1x2q s SER 83 Cb -0.20 0.89 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1x2q s SER 83 CO 0.04 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1x2q n GLY 84 N 4.90 1.98 3.79 7.32 0.00 -1.26 -5.17 105.19 116.74 1x2q n GLY 84 Ca -0.15 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.77 0.97 0.17 1.61 0.04 -1.26 -5.09 135.00 130.67 1x2q s PRO 85 Ca 0.00 0.22 0.01 0.00 0.04 0.00 0.00 61.00 61.27 1x2q s PRO 85 Cb 0.00 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 1x2q s PRO 85 CO 0.00 -2.30 0.02 -1.12 0.04 0.00 0.00 177.00 173.65 1x2q s SER 86 N -4.08 0.98 -0.08 6.66 0.01 -1.26 -5.17 113.70 110.76 1x2q s SER 86 Ca 0.65 -1.20 -0.32 0.00 1.31 0.00 0.00 55.95 56.39 1x2q s SER 86 Cb -0.14 0.17 0.14 0.00 0.21 0.00 0.00 66.02 66.40 1x2q s SER 86 CO 0.53 -0.62 1.37 -0.94 0.41 0.00 0.00 173.24 174.00 1x2q s SER 87 N -3.15 -0.03 0.00 2.44 1.04 -1.26 -5.37 113.70 107.37 1x2q s SER 87 Ca 0.25 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1x2q s SER 87 Cb 0.07 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1x2q s SER 87 CO 0.04 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.75