#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 1.08 -3.62 1.61 2.88 -1.26 -5.11 113.62 109.20 1x2q n SER 2 Ca 0.00 0.15 -0.10 0.00 -1.33 0.00 0.00 58.87 57.59 1x2q n SER 2 Cb 0.00 -0.35 -0.06 0.00 -0.75 0.00 0.00 64.21 63.04 1x2q n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x2q s SER 3 N -5.89 -0.43 0.00 -3.46 0.15 -1.26 -5.15 113.70 97.67 1x2q s SER 3 Ca -0.04 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.34 1x2q s SER 3 Cb 0.01 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 1x2q s SER 3 CO 0.06 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1x2q n GLY 4 N 1.77 3.35 0.54 9.45 0.00 -1.26 -5.10 105.19 113.93 1x2q n GLY 4 Ca -0.12 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 1x2q n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x2q n SER 5 N 0.00 1.38 -3.10 1.61 7.64 -1.26 -5.08 113.62 114.81 1x2q n SER 5 Ca 0.00 0.22 -0.19 0.00 1.01 0.00 0.00 58.87 59.91 1x2q n SER 5 Cb 0.00 -0.51 0.02 0.00 -1.01 0.00 0.00 64.21 62.71 1x2q n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x2q n SER 6 N -3.89 -6.99 -0.20 6.43 7.64 -1.26 -4.99 113.62 110.35 1x2q n SER 6 Ca -0.16 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1x2q n SER 6 Cb 0.44 -3.84 0.00 0.00 -1.01 0.00 0.00 64.21 59.79 1x2q n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x2q n GLY 7 N -0.13 -3.12 3.56 0.23 0.00 -1.26 -5.09 105.19 99.38 1x2q n GLY 7 Ca 0.03 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.88 0.80 0.00 1.61 0.15 -1.26 -5.03 113.70 108.09 1x2q s SER 8 Ca 0.00 -1.45 0.00 0.00 0.70 0.00 0.00 55.95 55.20 1x2q s SER 8 Cb 0.00 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 1x2q s SER 8 CO 0.00 -1.41 0.00 -1.84 1.20 0.00 0.00 173.24 171.19 1x2q n GLU 9 N -0.58 0.00 -3.11 5.44 0.00 -1.26 -5.11 120.64 116.02 1x2q n GLU 9 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.74 1x2q n GLU 9 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.99 1x2q n GLU 9 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.13 178.09 1x2q s ILE 10 N 0.00 4.94 -0.39 3.84 -5.25 -1.26 -4.93 121.20 118.15 1x2q s ILE 10 Ca 0.00 0.94 -0.03 0.00 -0.99 0.00 0.00 60.65 60.57 1x2q s ILE 10 Cb 0.00 -3.99 0.20 0.00 2.95 0.00 0.00 42.46 41.63 1x2q s ILE 10 CO 0.00 -0.10 0.97 -1.58 -1.79 0.00 0.00 174.94 172.44 1x2q s GLN 11 N 2.59 0.47 -0.51 0.37 0.74 -1.26 -5.08 119.66 116.98 1x2q s GLN 11 Ca 0.26 -0.43 0.07 0.00 0.05 0.00 0.00 55.36 55.31 1x2q s GLN 11 Cb -0.15 -0.01 0.19 0.00 1.10 0.00 0.00 33.01 34.14 1x2q s GLN 11 CO 0.11 -0.59 0.72 -0.11 -0.55 0.00 0.00 175.29 174.87 1x2q n LEU 12 N 2.90 -3.28 0.00 3.68 0.00 -1.26 -5.08 117.00 113.95 1x2q n LEU 12 Ca 0.13 -3.02 0.00 0.00 0.00 0.00 0.00 56.01 53.12 1x2q n LEU 12 Cb 0.62 0.76 0.00 0.00 0.00 0.00 0.00 43.42 44.80 1x2q n LEU 12 CO -0.08 1.94 0.00 -0.46 0.00 0.00 0.00 177.39 178.79 1x2q n ASN 13 N 2.83 0.00 -4.66 1.96 0.23 -1.26 -5.14 115.26 109.22 1x2q n ASN 13 Ca 0.18 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.81 1x2q n ASN 13 Cb 0.56 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.23 1x2q n ASN 13 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1x2q s ASN 14 N 0.00 6.99 -0.20 0.53 3.84 -1.26 -5.01 114.94 119.83 1x2q s ASN 14 Ca 0.00 1.22 -0.15 0.00 0.21 0.00 0.00 52.86 54.14 1x2q s ASN 14 Cb 0.00 -2.48 0.06 0.00 -0.55 0.00 0.00 41.25 38.28 1x2q s ASN 14 CO 0.00 -0.48 0.51 -0.75 -2.79 0.00 0.00 177.10 173.59 1x2q s LYS 15 N 2.46 0.56 -0.31 0.43 2.20 -1.26 -5.13 119.74 118.69 1x2q s LYS 15 Ca 0.40 0.81 -0.24 0.00 -0.36 0.00 0.00 55.97 56.58 1x2q s LYS 15 Cb -0.16 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.34 1x2q s LYS 15 CO 0.11 -0.11 0.82 0.14 -0.36 0.00 0.00 175.35 175.95 1x2q s VAL 16 N 0.80 4.76 0.16 4.02 -7.23 -1.26 -5.00 120.40 116.66 1x2q s VAL 16 Ca -0.04 1.24 -0.21 0.00 -1.81 0.00 0.00 61.98 61.16 1x2q s VAL 16 Cb -0.05 -4.18 0.05 0.00 0.56 0.00 0.00 36.38 32.76 1x2q s VAL 16 CO -0.06 -0.28 0.55 0.00 -0.31 0.00 0.00 175.10 175.00 1x2q s ALA 17 N 3.04 -1.33 -0.60 1.32 0.00 -1.26 -5.11 121.76 117.81 1x2q s ALA 17 Ca 0.34 0.22 -0.26 0.00 0.00 0.00 0.00 51.96 52.26 1x2q s ALA 17 Cb -0.14 0.84 0.04 0.00 0.00 0.00 0.00 23.12 23.86 1x2q s ALA 17 CO 0.13 -0.76 1.07 0.50 0.00 0.00 0.00 175.76 176.70 1x2q s ARG 18 N -3.79 3.33 0.35 0.00 6.06 -1.22 -4.95 118.95 118.74 1x2q s ARG 18 Ca 0.03 -0.18 -0.10 0.00 -2.50 0.00 0.00 55.73 52.98 1x2q s ARG 18 Cb -0.01 -4.08 -0.07 0.00 0.06 0.00 0.00 34.95 30.85 1x2q s ARG 18 CO -0.10 -1.69 0.70 0.15 -2.50 0.00 0.00 175.30 171.86 1x2q s LYS 19 N 4.55 3.79 -0.08 5.12 1.02 -1.26 0.19 119.74 133.06 1x2q s LYS 19 Ca 0.34 0.39 -0.15 0.00 0.02 0.00 0.00 55.97 56.57 1x2q s LYS 19 Cb -0.11 -2.47 0.03 0.00 -0.52 0.00 0.00 37.83 34.76 1x2q s LYS 19 CO 0.19 0.08 0.37 0.14 -0.92 0.00 0.00 175.35 175.22 1x2q s VAL 20 N -2.19 0.03 -0.24 3.17 -7.23 0.15 -4.60 120.40 109.49 1x2q s VAL 20 Ca 0.50 -0.22 -0.09 0.00 -1.81 0.00 0.00 61.98 60.36 1x2q s VAL 20 Cb -0.10 -0.61 -0.04 0.00 0.56 0.00 0.00 36.38 36.19 1x2q s VAL 20 CO 0.28 -0.12 0.11 -0.60 -0.31 0.00 0.00 175.10 174.46 1x2q s ARG 21 N -0.59 3.86 0.18 4.82 3.52 -0.98 0.11 118.95 129.88 1x2q s ARG 21 Ca -0.07 -0.38 -0.32 0.00 -0.13 0.00 0.00 55.73 54.84 1x2q s ARG 21 Cb -0.04 -3.42 -0.11 0.00 -1.56 0.00 0.00 34.95 29.82 1x2q s ARG 21 CO 0.03 -0.05 1.71 0.00 -0.81 0.00 0.00 175.30 176.18 1x2q s ALA 22 N 1.30 3.88 -0.13 6.12 0.00 0.43 -0.86 121.76 132.50 1x2q s ALA 22 Ca 0.06 1.52 -0.07 0.00 0.00 0.00 0.00 51.96 53.47 1x2q s ALA 22 Cb -0.15 -3.69 -0.26 0.00 0.00 0.00 0.00 23.12 19.03 1x2q s ALA 22 CO 0.05 -0.95 0.34 1.28 0.00 0.00 0.00 175.76 176.48 1x2q n LEU 23 N 4.29 2.63 -4.51 0.00 4.77 0.36 0.43 117.00 124.97 1x2q n LEU 23 Ca 0.16 0.20 -0.25 0.00 -0.03 0.00 0.00 56.01 56.10 1x2q n LEU 23 Cb 0.36 -1.11 -0.10 0.00 -2.33 0.00 0.00 43.42 40.24 1x2q n LEU 23 CO 0.64 0.84 -0.44 -0.31 -1.33 0.00 0.00 177.39 176.79 1x2q s TYR 24 N -2.55 2.36 -0.38 -1.77 2.02 -1.17 -4.63 117.35 111.23 1x2q s TYR 24 Ca -0.23 -0.38 -0.26 0.00 -0.37 0.00 0.00 57.07 55.83 1x2q s TYR 24 Cb 0.07 -1.14 0.02 0.00 -0.40 0.00 0.00 41.96 40.50 1x2q s TYR 24 CO 0.76 0.66 0.91 -0.51 -1.57 0.00 0.00 175.55 175.80 1x2q s ASP 25 N -3.56 6.65 0.50 2.29 1.01 -1.26 -3.37 116.67 118.93 1x2q s ASP 25 Ca 0.31 0.52 0.08 0.00 0.71 0.00 0.00 52.55 54.17 1x2q s ASP 25 Cb -0.03 -2.46 0.04 0.00 1.01 0.00 0.00 42.92 41.48 1x2q s ASP 25 CO 0.16 -0.86 0.58 0.12 0.21 0.00 0.00 175.17 175.38 1x2q s PHE 26 N 3.46 2.09 -0.30 4.23 5.36 -0.06 -4.88 117.98 127.88 1x2q s PHE 26 Ca 0.37 -0.61 -0.09 0.00 -0.96 0.00 0.00 56.93 55.64 1x2q s PHE 26 Cb -0.12 -2.20 0.16 0.00 -0.34 0.00 0.00 43.02 40.52 1x2q s PHE 26 CO 0.19 -0.63 0.78 -2.00 -1.46 0.00 0.00 175.22 172.10 1x2q s GLU 27 N -4.41 0.45 0.15 10.12 2.12 -1.26 -3.81 118.70 122.06 1x2q s GLU 27 Ca 0.53 0.99 -0.31 0.00 0.36 0.00 0.00 54.97 56.54 1x2q s GLU 27 Cb -0.06 0.58 -0.17 0.00 0.26 0.00 0.00 34.13 34.74 1x2q s GLU 27 CO 0.32 -0.28 0.71 0.00 -0.54 0.00 0.00 175.26 175.47 1x2q n ALA 28 N 5.32 -2.82 -0.04 6.30 0.00 -1.18 -4.87 120.51 123.21 1x2q n ALA 28 Ca -0.08 0.48 -0.04 0.00 0.00 0.00 0.00 53.44 53.80 1x2q n ALA 28 Cb 0.51 -1.69 -0.06 0.00 0.00 0.00 0.00 19.45 18.21 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 0.45 0.57 -2.98 0.00 3.14 -1.26 -5.02 118.33 113.24 1x2q n VAL 29 Ca 0.18 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 1x2q n VAL 29 Cb 0.21 -0.79 0.00 0.00 -1.06 0.00 0.00 33.84 32.21 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 1.07 -1.22 1.45 1.02 -1.26 -5.00 120.64 114.35 1x2q n GLU 30 Ca -0.14 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.76 1x2q n GLU 30 Cb 0.76 0.00 0.18 0.00 -0.02 0.00 0.00 31.44 32.36 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 -2.89 3.82 -2.68 1.62 8.00 -1.26 -4.28 116.55 118.88 1x2q n ASP 31 Ca 0.00 -3.62 -0.05 0.00 0.71 0.00 0.00 54.79 51.83 1x2q n ASP 31 Cb 0.00 -0.84 0.05 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 -1.14 -1.47 -4.44 -2.24 5.15 -1.26 -5.16 115.26 104.70 1x2q n ASN 32 Ca 0.59 -2.06 -0.27 0.00 -0.60 0.00 0.00 54.58 52.24 1x2q n ASN 32 Cb 1.62 1.08 -0.09 0.00 -0.53 0.00 0.00 39.78 41.86 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 0.10 1.95 -0.18 1.20 2.02 -1.26 -3.85 118.70 118.69 1x2q s GLU 33 Ca 0.12 -2.18 -0.11 0.00 0.02 0.00 0.00 54.97 52.82 1x2q s GLU 33 Cb 0.21 -1.07 -0.05 0.00 0.10 0.00 0.00 34.13 33.32 1x2q s GLU 33 CO -0.06 -0.33 0.17 -1.17 0.02 0.00 0.00 175.26 173.90 1x2q s LEU 34 N -3.68 4.24 -0.29 1.80 0.20 0.50 -4.10 118.68 117.35 1x2q s LEU 34 Ca 0.23 0.33 -0.04 0.00 0.69 0.00 0.00 54.13 55.34 1x2q s LEU 34 Cb 0.05 -2.16 0.03 0.00 -0.43 0.00 0.00 46.19 43.67 1x2q s LEU 34 CO 0.12 0.19 0.03 -0.89 -0.29 0.00 0.00 176.35 175.50 1x2q s THR 35 N 0.21 3.45 0.24 3.68 2.01 -1.26 -3.12 115.64 120.84 1x2q s THR 35 Ca 0.11 -0.98 -0.15 0.00 0.31 0.00 0.00 61.69 60.98 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 0.00 0.04 0.52 0.72 -0.69 0.00 0.00 174.62 175.21 1x2q s PHE 36 N 1.39 0.20 0.33 4.92 -0.12 -1.25 -4.75 117.98 118.70 1x2q s PHE 36 Ca -0.00 -0.58 0.01 0.00 -0.05 0.00 0.00 56.93 56.31 1x2q s PHE 36 Cb -0.18 0.30 0.01 0.00 -0.63 0.00 0.00 43.02 42.52 1x2q s PHE 36 CO -0.00 -1.02 0.09 1.63 -0.05 0.00 0.00 175.22 175.87 1x2q n LYS 37 N -0.38 1.14 -2.51 1.99 4.76 -1.26 -0.88 118.16 121.01 1x2q n LYS 37 Ca -0.03 -2.30 -0.35 0.00 -2.87 0.00 0.00 58.31 52.76 1x2q n LYS 37 Cb 0.61 0.50 -0.03 0.00 -1.84 0.00 0.00 35.03 34.27 1x2q n LYS 37 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1x2q s HIS 38 N -2.02 3.09 0.00 2.13 5.65 -1.22 -3.50 115.29 119.42 1x2q s HIS 38 Ca 0.07 1.60 0.00 0.00 0.25 0.00 0.00 55.06 56.98 1x2q s HIS 38 Cb -0.01 -3.12 0.00 0.00 -1.18 0.00 0.00 32.58 28.27 1x2q s HIS 38 CO 0.04 -0.82 0.00 0.41 -0.65 0.00 0.00 174.74 173.72 1x2q n GLY 39 N 0.06 1.95 3.50 1.59 0.00 0.17 -4.94 105.19 107.52 1x2q n GLY 39 Ca 0.07 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.35 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 0.77 -3.37 1.61 1.02 -1.23 -4.14 120.64 115.30 1x2q n GLU 40 Ca 0.00 0.27 -0.33 0.00 -0.02 0.00 0.00 57.16 57.08 1x2q n GLU 40 Cb 0.00 -1.53 -0.06 0.00 -0.02 0.00 0.00 31.44 29.83 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 -1.19 4.89 -0.04 -3.67 -1.09 -1.26 -0.43 121.20 118.41 1x2q s ILE 41 Ca 0.61 0.63 0.00 0.00 -2.23 0.00 0.00 60.65 59.66 1x2q s ILE 41 Cb -0.72 -3.65 0.03 0.00 -1.58 0.00 0.00 42.46 36.53 1x2q s ILE 41 CO 0.58 0.02 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.68 1x2q s ILE 42 N -1.72 0.26 -0.48 2.92 1.09 0.31 -4.53 121.20 119.06 1x2q s ILE 42 Ca 0.45 0.05 -0.20 0.00 -1.10 0.00 0.00 60.65 59.85 1x2q s ILE 42 Cb -0.12 -0.35 0.04 0.00 -1.06 0.00 0.00 42.46 40.97 1x2q s ILE 42 CO 0.20 0.17 0.65 -0.63 -0.10 0.00 0.00 174.94 175.23 1x2q s ILE 43 N 1.09 4.82 -0.11 2.92 1.09 0.50 0.35 121.20 131.85 1x2q s ILE 43 Ca -0.09 -0.15 -0.30 0.00 -1.10 0.00 0.00 60.65 59.02 1x2q s ILE 43 Cb -0.14 -4.26 -0.03 0.00 -1.06 0.00 0.00 42.46 36.97 1x2q s ILE 43 CO -0.02 -0.72 1.29 -0.69 -0.10 0.00 0.00 174.94 174.70 1x2q s VAL 44 N 2.80 4.17 -0.21 2.92 1.01 0.50 0.16 120.40 131.76 1x2q s VAL 44 Ca 0.20 1.45 -0.05 0.00 0.00 0.00 0.00 61.98 63.58 1x2q s VAL 44 Cb -0.16 -3.94 -0.20 0.00 0.00 0.00 0.00 36.38 32.09 1x2q s VAL 44 CO 0.16 -0.08 -0.01 0.18 0.00 0.00 0.00 175.10 175.35 1x2q n LEU 45 N 6.16 2.64 -3.98 3.92 4.77 0.20 -3.38 117.00 127.33 1x2q n LEU 45 Ca 0.13 0.09 -0.21 0.00 -0.03 0.00 0.00 56.01 55.99 1x2q n LEU 45 Cb 0.45 -0.97 -0.16 0.00 -2.33 0.00 0.00 43.42 40.40 1x2q n LEU 45 CO 0.56 0.81 -0.44 -1.81 -1.33 0.00 0.00 177.39 175.18 1x2q s ASP 46 N -6.85 1.26 -0.27 -1.43 1.11 0.20 -5.01 116.67 105.68 1x2q s ASP 46 Ca -0.31 -0.20 0.19 0.00 0.18 0.00 0.00 52.55 52.42 1x2q s ASP 46 Cb 0.09 -0.47 0.50 0.00 1.07 0.00 0.00 42.92 44.10 1x2q s ASP 46 CO 0.64 0.03 1.12 -0.90 1.18 0.00 0.00 175.17 177.24 1x2q n ASP 47 N 3.60 2.35 -0.01 0.27 5.75 -1.26 -1.09 116.55 126.15 1x2q n ASP 47 Ca -0.21 -2.46 -0.11 0.00 -0.01 0.00 0.00 54.79 52.00 1x2q n ASP 47 Cb 0.53 -0.45 -0.06 0.00 -1.03 0.00 0.00 41.12 40.11 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 2.53 0.12 -1.97 -1.12 0.02 -1.96 -3.44 113.55 107.74 1x2q h SER 48 Ca -0.02 -0.12 -0.44 0.00 -0.84 0.00 0.00 61.79 60.37 1x2q h SER 48 Cb 1.32 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.84 1x2q h SER 48 CO 0.33 0.21 -0.30 -0.62 -1.14 0.00 0.00 176.83 175.31 1x2q s ASP 49 N -5.42 5.96 -0.10 3.07 2.15 -1.26 -5.03 116.67 116.04 1x2q s ASP 49 Ca -0.14 -0.10 0.16 0.00 0.43 0.00 0.00 52.55 52.91 1x2q s ASP 49 Cb 0.06 -1.31 -0.24 0.00 -0.30 0.00 0.00 42.92 41.14 1x2q s ASP 49 CO 0.68 -0.46 0.21 0.00 -0.17 0.00 0.00 175.17 175.42 1x2q n ALA 50 N -1.71 2.07 0.10 3.66 0.00 -1.26 -4.49 120.51 118.87 1x2q n ALA 50 Ca -0.00 -0.80 -0.13 0.00 0.00 0.00 0.00 53.44 52.51 1x2q n ALA 50 Cb 0.58 -0.33 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.21 -4.52 0.00 2.35 -1.95 -3.35 115.58 107.90 1x2q h ASN 51 Ca -0.25 -0.22 -0.70 0.00 -0.55 0.00 0.00 56.30 54.58 1x2q h ASN 51 Cb 1.49 0.05 -0.29 0.00 0.05 0.00 0.00 38.32 39.62 1x2q h ASN 51 CO 0.01 0.11 -0.88 0.26 -1.65 0.00 0.00 177.43 175.29 1x2q s TRP 52 N -4.91 2.36 -0.07 1.19 0.52 -1.26 -4.26 118.94 112.51 1x2q s TRP 52 Ca -0.15 -0.42 0.03 0.00 0.02 0.00 0.00 56.10 55.59 1x2q s TRP 52 Cb 0.03 -1.49 0.01 0.00 -1.15 0.00 0.00 33.47 30.86 1x2q s TRP 52 CO 0.61 0.00 -0.17 -1.58 0.02 0.00 0.00 176.95 175.82 1x2q s TRP 53 N -0.65 1.90 -0.45 -1.98 0.52 0.49 -4.25 118.94 114.52 1x2q s TRP 53 Ca 0.10 -0.70 -0.19 0.00 0.02 0.00 0.00 56.10 55.33 1x2q s TRP 53 Cb -0.10 -1.31 0.03 0.00 -1.15 0.00 0.00 33.47 30.94 1x2q s TRP 53 CO -0.00 -0.30 0.55 0.21 0.02 0.00 0.00 176.95 177.42 1x2q s LYS 54 N 0.42 3.16 0.38 4.98 2.20 -0.25 -1.99 119.74 128.63 1x2q s LYS 54 Ca -0.14 -0.68 0.06 0.00 -0.36 0.00 0.00 55.97 54.85 1x2q s LYS 54 Cb -0.16 -4.00 -0.02 0.00 -1.51 0.00 0.00 37.83 32.14 1x2q s LYS 54 CO 0.05 -1.00 0.21 0.20 -0.36 0.00 0.00 175.35 174.45 1x2q s GLY 55 N 2.11 2.52 0.05 5.54 0.00 -1.21 0.59 107.32 116.93 1x2q s GLY 55 Ca 0.16 -1.60 0.03 0.00 0.00 0.00 0.00 44.72 43.31 1x2q s GLY 55 CO 0.15 -1.66 -0.10 1.85 0.00 0.00 0.00 173.10 173.34 1x2q s GLU 56 N -3.56 0.63 0.24 2.90 2.12 0.43 -2.86 118.70 118.59 1x2q s GLU 56 Ca 0.31 -0.84 -0.11 0.00 0.36 0.00 0.00 54.97 54.69 1x2q s GLU 56 Cb 0.02 -0.46 -0.01 0.00 0.26 0.00 0.00 34.13 33.94 1x2q s GLU 56 CO 0.21 0.09 0.42 0.54 -0.54 0.00 0.00 175.26 175.98 1x2q s ASN 57 N -1.68 -0.05 0.24 -1.70 2.20 0.15 0.19 114.94 114.28 1x2q s ASN 57 Ca -0.07 -0.98 -0.13 0.00 -0.94 0.00 0.00 52.86 50.74 1x2q s ASN 57 Cb -0.10 0.55 0.30 0.00 -2.00 0.00 0.00 41.25 40.01 1x2q s ASN 57 CO 0.01 -1.08 1.48 1.57 -2.94 0.00 0.00 177.10 176.13 1x2q n HIS 58 N -0.36 0.14 -0.23 1.54 -0.00 -1.26 0.19 115.22 115.24 1x2q n HIS 58 Ca -0.02 1.17 0.03 0.00 -0.00 0.00 0.00 57.72 58.90 1x2q n HIS 58 Cb 0.63 -0.93 0.15 0.00 -0.00 0.00 0.00 29.99 29.84 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 0.38 0.00 1.57 3.08 -1.96 -3.48 114.38 113.98 1x2q h ARG 59 Ca 0.38 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1x2q h ARG 59 Cb 0.61 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1x2q h ARG 59 CO -0.96 0.25 0.00 0.41 -1.07 0.00 0.00 179.97 178.61 1x2q n GLY 60 N -1.32 0.14 3.94 0.04 0.00 0.50 -5.09 105.19 103.41 1x2q n GLY 60 Ca 0.12 -1.34 -0.20 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.43 4.42 0.00 -0.61 1.01 -1.26 0.33 121.20 121.66 1x2q s ILE 61 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.54 1x2q s ILE 61 Cb 0.00 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.95 1x2q s ILE 61 CO 0.00 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.31 1x2q n GLY 62 N -1.46 1.68 3.88 6.18 0.00 -1.14 -4.66 105.19 109.67 1x2q n GLY 62 Ca -0.04 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.67 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 4.02 -0.01 0.99 2.01 -1.25 -3.32 118.68 121.13 1x2q s LEU 63 Ca 0.00 1.00 -0.30 0.00 0.01 0.00 0.00 54.13 54.84 1x2q s LEU 63 Cb 0.00 -3.82 0.10 0.00 0.01 0.00 0.00 46.19 42.49 1x2q s LEU 63 CO 0.00 -0.22 1.07 0.72 1.01 0.00 0.00 176.35 178.92 1x2q s PHE 64 N -2.08 -0.17 0.30 0.29 -0.71 -0.84 0.19 117.98 114.96 1x2q s PHE 64 Ca 0.49 0.02 -0.28 0.00 -1.04 0.00 0.00 56.93 56.12 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 0.26 -0.48 1.07 -1.25 -1.34 0.00 0.00 175.22 173.48 1x2q s PRO 65 N -2.85 4.55 0.01 1.99 0.04 -1.26 0.19 135.00 137.67 1x2q s PRO 65 Ca 0.10 1.71 0.28 0.00 0.04 0.00 0.00 61.00 63.12 1x2q s PRO 65 Cb 0.00 -3.05 1.01 0.00 0.04 0.00 0.00 34.50 32.51 1x2q s PRO 65 CO -0.04 0.16 1.78 -1.13 0.04 0.00 0.00 177.00 177.81 1x2q n SER 66 N 0.93 0.18 -0.93 6.66 3.41 -1.26 -3.04 113.62 119.57 1x2q n SER 66 Ca 0.00 0.30 0.04 0.00 -0.26 0.00 0.00 58.87 58.96 1x2q n SER 66 Cb 0.46 -0.31 0.18 0.00 -0.26 0.00 0.00 64.21 64.28 1x2q n SER 66 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1x2q n ASN 67 N -1.55 2.64 -0.00 4.04 6.94 -1.26 -3.38 115.26 122.69 1x2q n ASN 67 Ca 0.06 -2.24 0.04 0.00 -0.02 0.00 0.00 54.58 52.42 1x2q n ASN 67 Cb 0.34 -0.43 -0.05 0.00 -2.36 0.00 0.00 39.78 37.28 1x2q n ASN 67 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1x2q n PHE 68 N 0.41 0.00 -4.10 -2.53 3.01 -1.17 -4.98 117.46 108.10 1x2q n PHE 68 Ca 0.13 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.31 1x2q n PHE 68 Cb 0.52 -0.09 -0.03 0.00 -0.01 0.00 0.00 39.48 39.87 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 -2.14 1.65 -0.04 -4.37 -7.23 -1.22 0.13 120.40 107.19 1x2q s VAL 69 Ca 0.00 -1.62 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1x2q s VAL 69 Cb 0.06 -2.27 0.02 0.00 0.56 0.00 0.00 36.38 34.75 1x2q s VAL 69 CO 0.33 0.00 -0.02 0.28 -0.31 0.00 0.00 175.10 175.38 1x2q s THR 70 N -2.77 0.33 -0.94 5.32 -1.32 -0.04 -4.75 115.64 111.47 1x2q s THR 70 Ca 0.29 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.68 1x2q s THR 70 Cb -0.01 -0.40 -0.07 0.00 -1.51 0.00 0.00 72.50 70.51 1x2q s THR 70 CO 0.17 0.18 2.12 0.35 -2.21 0.00 0.00 174.62 175.23 1x2q n THR 71 N 4.14 2.44 0.00 5.08 -2.24 -1.26 -2.32 114.28 120.12 1x2q n THR 71 Ca -0.25 -1.59 0.00 0.00 -2.27 0.00 0.00 64.05 59.94 1x2q n THR 71 Cb 0.51 -2.21 0.00 0.00 -2.10 0.00 0.00 70.33 66.52 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 4.93 0.00 -0.29 3.42 2.85 -1.26 -5.04 115.26 119.87 1x2q n ASN 72 Ca 0.48 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.89 1x2q n ASN 72 Cb 0.20 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.22 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 -1.46 -7.00 1.20 3.38 -1.86 -3.43 115.31 106.15 1x2q h LEU 73 Ca 0.00 0.27 0.01 0.00 0.09 0.00 0.00 57.88 58.25 1x2q h LEU 73 Cb 0.00 0.71 -0.22 0.00 0.09 0.00 0.00 40.66 41.23 1x2q h LEU 73 CO 0.00 -0.30 0.19 0.21 0.09 0.00 0.00 178.44 178.62 1x2q s ASN 74 N -5.26 -0.72 -0.54 -0.43 2.47 -1.26 -4.82 114.94 104.37 1x2q s ASN 74 Ca -0.14 1.30 -0.26 0.00 0.42 0.00 0.00 52.86 54.18 1x2q s ASN 74 Cb 0.16 1.32 -0.04 0.00 -1.45 0.00 0.00 41.25 41.24 1x2q s ASN 74 CO 0.68 -0.22 2.07 -0.63 -3.72 0.00 0.00 177.10 175.29 1x2q s ILE 75 N 0.73 3.22 -0.23 -5.21 1.09 -1.26 -4.93 121.20 114.62 1x2q s ILE 75 Ca -0.03 0.14 -0.13 0.00 -1.10 0.00 0.00 60.65 59.54 1x2q s ILE 75 Cb -0.05 -3.55 -0.05 0.00 -1.06 0.00 0.00 42.46 37.75 1x2q s ILE 75 CO -0.07 -0.52 0.26 -1.61 -0.10 0.00 0.00 174.94 172.91 1x2q s GLU 76 N 7.39 4.11 0.03 2.79 2.02 -1.26 -4.99 118.70 128.78 1x2q s GLU 76 Ca 0.80 -0.07 -0.27 0.00 0.02 0.00 0.00 54.97 55.44 1x2q s GLU 76 Cb -0.15 -3.54 -0.16 0.00 0.10 0.00 0.00 34.13 30.37 1x2q s GLU 76 CO 0.24 0.00 1.29 1.15 0.02 0.00 0.00 175.26 177.96 1x2q h THR 77 N 5.04 0.37 -3.34 3.63 2.02 -2.09 -3.42 112.91 115.12 1x2q h THR 77 Ca -0.37 -0.34 -0.53 0.00 0.77 0.00 0.00 66.41 65.94 1x2q h THR 77 Cb 1.17 0.49 0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1x2q h THR 77 CO 0.68 0.05 0.57 -1.61 0.37 0.00 0.00 175.52 175.57 1x2q s GLU 78 N -5.01 4.46 -0.51 6.66 2.02 -1.26 -4.96 118.70 120.10 1x2q s GLU 78 Ca -0.15 1.85 0.06 0.00 0.02 0.00 0.00 54.97 56.75 1x2q s GLU 78 Cb 0.02 -3.28 0.21 0.00 0.10 0.00 0.00 34.13 31.18 1x2q s GLU 78 CO 0.52 -0.17 0.79 0.00 0.02 0.00 0.00 175.26 176.42 1x2q n ALA 79 N 3.12 -1.78 -3.08 5.21 0.00 -1.26 -5.10 120.51 117.61 1x2q n ALA 79 Ca 0.06 -1.12 -0.43 0.00 0.00 0.00 0.00 53.44 51.95 1x2q n ALA 79 Cb 0.45 -1.48 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 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 0.81 3.45 0.20 0.00 0.00 -1.26 -4.80 121.76 120.17 1x2q s ALA 80 Ca 0.31 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 50.10 1x2q s ALA 80 Cb 0.07 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1x2q s ALA 80 CO -0.11 -1.72 0.00 0.00 0.00 0.00 0.00 175.76 173.93 1x2q n ALA 81 N 5.08 3.00 0.25 0.00 0.00 -1.26 -4.93 120.51 122.65 1x2q n ALA 81 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.22 1x2q n ALA 81 Cb 0.43 0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 1x2q n ALA 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1x2q h VAL 82 N 0.00 0.00 0.00 0.00 2.07 -2.06 -3.45 116.25 112.81 1x2q h VAL 82 Ca 0.00 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1x2q h VAL 82 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1x2q h VAL 82 CO 0.00 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 177.35 1x2q n SER 83 N -4.72 0.00 0.00 0.57 2.88 -1.26 -4.73 113.62 106.36 1x2q n SER 83 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1x2q n SER 83 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 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 0.00 -1.28 0.14 0.46 0.00 -1.26 -5.03 105.19 98.22 1x2q n GLY 84 Ca 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 46.02 44.96 1x2q n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x2q h PRO 85 N 0.00 0.38 0.00 1.61 0.13 -2.03 -3.46 132.00 128.63 1x2q h PRO 85 Ca 0.00 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1x2q h PRO 85 Cb 0.00 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.23 1x2q h PRO 85 CO 0.00 1.04 0.00 0.45 -0.23 0.00 0.00 178.00 179.26 1x2q n SER 86 N -4.29 0.00 -3.50 1.44 2.88 -1.26 -4.69 113.62 104.20 1x2q n SER 86 Ca -0.10 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.34 1x2q n SER 86 Cb 0.61 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.04 1x2q n SER 86 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x2q s SER 87 N 0.00 -0.45 0.00 -3.46 0.15 -1.26 -5.32 113.70 103.36 1x2q s SER 87 Ca 0.00 0.17 0.32 0.00 0.70 0.00 0.00 55.95 57.14 1x2q s SER 87 Cb 0.00 0.43 1.83 0.00 -1.71 0.00 0.00 66.02 66.58 1x2q s SER 87 CO 0.00 -0.64 2.19 0.61 1.20 0.00 0.00 173.24 176.60