#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 -6.05 -4.86 1.61 3.41 -1.26 -4.96 113.62 101.51 1x2q n SER 2 Ca 0.00 0.09 -0.23 0.00 -0.26 0.00 0.00 58.87 58.47 1x2q n SER 2 Cb 0.00 -2.06 0.07 0.00 -0.26 0.00 0.00 64.21 61.96 1x2q n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x2q s SER 3 N -1.45 4.83 0.00 4.04 1.04 -1.26 -5.11 113.70 115.80 1x2q s SER 3 Ca 0.27 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.77 1x2q s SER 3 Cb -0.03 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.35 1x2q s SER 3 CO 0.65 -1.51 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1x2q n GLY 4 N -2.70 3.30 3.61 7.32 0.00 -1.26 -5.19 105.19 110.27 1x2q n GLY 4 Ca 0.10 -1.12 -0.02 0.00 0.00 0.00 0.00 46.02 44.98 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 0.38 -0.07 -0.14 1.61 0.01 -1.26 -5.19 113.70 109.04 1x2q s SER 5 Ca 0.00 -0.02 -0.31 0.00 1.31 0.00 0.00 55.95 56.94 1x2q s SER 5 Cb 0.00 0.08 0.13 0.00 0.21 0.00 0.00 66.02 66.44 1x2q s SER 5 CO 0.00 -0.14 1.05 -0.55 0.41 0.00 0.00 173.24 174.01 1x2q s SER 6 N -2.30 -0.29 0.00 2.44 0.15 -1.26 -5.18 113.70 107.26 1x2q s SER 6 Ca 0.11 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1x2q s SER 6 Cb 0.01 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1x2q s SER 6 CO -0.04 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1x2q n GLY 7 N 0.32 1.36 0.00 9.45 0.00 -1.26 -5.18 105.19 109.88 1x2q n GLY 7 Ca -0.07 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1x2q n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x2q n SER 8 N 0.00 0.00 -3.61 1.61 3.41 -1.26 -5.19 113.62 108.58 1x2q n SER 8 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 1x2q n SER 8 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1x2q n SER 8 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1x2q s GLU 9 N -1.28 0.30 -0.05 4.33 1.03 -1.26 -5.12 118.70 116.65 1x2q s GLU 9 Ca 0.00 0.06 -0.30 0.00 0.03 0.00 0.00 54.97 54.76 1x2q s GLU 9 Cb 0.00 0.14 -0.05 0.00 -0.80 0.00 0.00 34.13 33.42 1x2q s GLU 9 CO 0.00 -0.10 1.59 -1.50 -1.33 0.00 0.00 175.26 173.92 1x2q s ILE 10 N -1.16 3.60 -0.19 1.83 2.07 -1.26 -4.89 121.20 121.21 1x2q s ILE 10 Ca 0.04 0.80 -0.17 0.00 -1.41 0.00 0.00 60.65 59.92 1x2q s ILE 10 Cb -0.01 -3.52 -0.07 0.00 0.13 0.00 0.00 42.46 39.00 1x2q s ILE 10 CO -0.04 -0.06 -0.33 0.00 -1.91 0.00 0.00 174.94 172.60 1x2q n GLN 11 N 6.74 0.53 -1.53 3.50 6.02 -1.26 -4.88 117.38 126.50 1x2q n GLN 11 Ca 0.16 0.24 -0.46 0.00 -0.01 0.00 0.00 57.00 56.94 1x2q n GLN 11 Cb 0.43 -1.46 -0.05 0.00 1.02 0.00 0.00 30.24 30.18 1x2q n GLN 11 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1x2q n LEU 12 N -4.44 2.71 -3.57 1.08 7.99 -1.26 -4.89 117.00 114.63 1x2q n LEU 12 Ca -0.20 0.23 -0.13 0.00 -0.01 0.00 0.00 56.01 55.90 1x2q n LEU 12 Cb 0.56 -1.43 -0.05 0.00 -0.11 0.00 0.00 43.42 42.39 1x2q n LEU 12 CO 0.18 -0.77 0.28 0.20 -1.51 0.00 0.00 177.39 175.76 1x2q s ASN 13 N 8.21 -0.42 -0.19 -1.43 -0.87 -1.26 -5.07 114.94 113.90 1x2q s ASN 13 Ca 1.05 0.09 -0.19 0.00 -1.57 0.00 0.00 52.86 52.23 1x2q s ASN 13 Cb -0.54 0.50 -0.16 0.00 -0.02 0.00 0.00 41.25 41.03 1x2q s ASN 13 CO 0.40 -0.77 0.15 0.78 -2.57 0.00 0.00 177.10 175.10 1x2q h ASN 14 N 2.64 0.00 -3.95 -1.22 4.21 -2.03 -3.51 115.58 111.72 1x2q h ASN 14 Ca -0.32 -0.42 0.00 0.00 1.21 0.00 0.00 56.30 56.78 1x2q h ASN 14 Cb 1.23 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.43 1x2q h ASN 14 CO 0.42 1.34 -0.84 1.17 -1.29 0.00 0.00 177.43 178.23 1x2q n LYS 15 N -4.47 -3.81 -4.10 0.81 4.81 -1.26 -4.90 118.16 105.24 1x2q n LYS 15 Ca -0.27 2.91 -0.35 0.00 -0.87 0.00 0.00 58.31 59.73 1x2q n LYS 15 Cb 0.59 -3.49 -0.12 0.00 0.02 0.00 0.00 35.03 32.04 1x2q n LYS 15 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1x2q s VAL 16 N -4.51 4.27 0.22 3.15 -7.23 -1.26 -5.09 120.40 109.95 1x2q s VAL 16 Ca 0.00 -0.21 -0.01 0.00 -1.81 0.00 0.00 61.98 59.95 1x2q s VAL 16 Cb 0.00 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 1x2q s VAL 16 CO 0.00 0.44 0.18 0.00 -0.31 0.00 0.00 175.10 175.41 1x2q s ALA 17 N 0.71 1.18 -0.70 1.32 0.00 -1.26 -5.10 121.76 117.92 1x2q s ALA 17 Ca 0.01 -1.70 -0.23 0.00 0.00 0.00 0.00 51.96 50.03 1x2q s ALA 17 Cb -0.14 1.38 0.06 0.00 0.00 0.00 0.00 23.12 24.43 1x2q s ALA 17 CO 0.02 -0.62 1.05 0.50 0.00 0.00 0.00 175.76 176.71 1x2q s ARG 18 N -4.03 3.16 0.18 0.00 6.06 -1.25 -4.98 118.95 118.09 1x2q s ARG 18 Ca 0.38 -0.75 -0.16 0.00 -2.50 0.00 0.00 55.73 52.70 1x2q s ARG 18 Cb 0.06 -4.27 -0.07 0.00 0.06 0.00 0.00 34.95 30.72 1x2q s ARG 18 CO 0.14 -1.90 0.62 0.15 -2.50 0.00 0.00 175.30 171.81 1x2q s LYS 19 N 4.41 4.08 0.00 5.12 1.02 -1.26 0.53 119.74 133.64 1x2q s LYS 19 Ca 0.26 0.63 -0.03 0.00 0.02 0.00 0.00 55.97 56.86 1x2q s LYS 19 Cb -0.14 -2.89 -0.01 0.00 -0.52 0.00 0.00 37.83 34.27 1x2q s LYS 19 CO 0.10 0.43 0.04 0.14 -0.92 0.00 0.00 175.35 175.15 1x2q s VAL 20 N -1.51 0.08 -0.24 3.17 -7.23 0.04 -4.76 120.40 109.95 1x2q s VAL 20 Ca 0.40 -0.63 -0.09 0.00 -1.81 0.00 0.00 61.98 59.86 1x2q s VAL 20 Cb -0.15 -0.28 -0.04 0.00 0.56 0.00 0.00 36.38 36.47 1x2q s VAL 20 CO 0.20 -0.35 0.11 -0.60 -0.31 0.00 0.00 175.10 174.15 1x2q s ARG 21 N -1.09 3.85 0.18 4.82 6.06 -1.10 -0.16 118.95 131.51 1x2q s ARG 21 Ca -0.12 -0.38 -0.32 0.00 -2.50 0.00 0.00 55.73 52.41 1x2q s ARG 21 Cb -0.07 -3.40 -0.11 0.00 0.06 0.00 0.00 34.95 31.42 1x2q s ARG 21 CO 0.00 -0.05 1.73 0.00 -2.50 0.00 0.00 175.30 174.48 1x2q s ALA 22 N 1.29 3.88 -0.11 6.12 0.00 0.05 -0.93 121.76 132.07 1x2q s ALA 22 Ca 0.06 1.53 -0.12 0.00 0.00 0.00 0.00 51.96 53.43 1x2q s ALA 22 Cb -0.15 -3.70 -0.27 0.00 0.00 0.00 0.00 23.12 19.00 1x2q s ALA 22 CO 0.05 -0.97 0.48 -0.07 0.00 0.00 0.00 175.76 175.25 1x2q h LEU 23 N 7.20 0.42 -9.72 0.00 3.38 0.84 0.86 115.31 118.28 1x2q h LEU 23 Ca -0.44 -0.88 -0.62 0.00 0.09 0.00 0.00 57.88 56.04 1x2q h LEU 23 Cb 1.20 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.70 1x2q h LEU 23 CO 0.95 1.74 -0.57 -0.31 0.09 0.00 0.00 178.44 180.33 1x2q s TYR 24 N -2.52 2.53 -0.14 1.13 2.02 -1.21 -4.65 117.35 114.51 1x2q s TYR 24 Ca -0.21 -0.66 -0.22 0.00 -0.37 0.00 0.00 57.07 55.62 1x2q s TYR 24 Cb 0.06 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.77 1x2q s TYR 24 CO 0.77 0.38 0.66 0.16 -1.57 0.00 0.00 175.55 175.95 1x2q s ASP 25 N -3.76 6.82 0.50 2.29 -4.77 -1.26 -2.52 116.67 113.97 1x2q s ASP 25 Ca 0.36 1.00 0.03 0.00 -3.30 0.00 0.00 52.55 50.64 1x2q s ASP 25 Cb 0.08 -2.37 -0.02 0.00 -1.09 0.00 0.00 42.92 39.52 1x2q s ASP 25 CO 0.19 -0.20 0.08 0.12 0.70 0.00 0.00 175.17 176.06 1x2q s PHE 26 N 1.38 1.97 -0.30 2.11 5.36 -0.12 -4.87 117.98 123.50 1x2q s PHE 26 Ca 0.33 -0.87 -0.14 0.00 -0.96 0.00 0.00 56.93 55.28 1x2q s PHE 26 Cb -0.16 -1.71 0.17 0.00 -0.34 0.00 0.00 43.02 40.98 1x2q s PHE 26 CO 0.13 0.14 1.01 -2.00 -1.46 0.00 0.00 175.22 173.05 1x2q s GLU 27 N -3.92 0.26 -0.15 10.12 2.12 -1.25 -3.93 118.70 121.94 1x2q s GLU 27 Ca 0.17 0.59 -0.42 0.00 0.36 0.00 0.00 54.97 55.67 1x2q s GLU 27 Cb 0.02 0.35 -0.20 0.00 0.26 0.00 0.00 34.13 34.57 1x2q s GLU 27 CO 0.09 -0.14 1.25 0.00 -0.54 0.00 0.00 175.26 175.93 1x2q n ALA 28 N 5.07 -2.80 -0.09 6.30 0.00 -1.22 -4.84 120.51 122.94 1x2q n ALA 28 Ca -0.08 0.56 -0.10 0.00 0.00 0.00 0.00 53.44 53.82 1x2q n ALA 28 Cb 0.53 -1.83 -0.12 0.00 0.00 0.00 0.00 19.45 18.03 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 2.35 1.14 -3.12 0.00 3.14 -1.26 -5.01 118.33 115.56 1x2q n VAL 29 Ca 0.23 -0.63 -0.01 0.00 -2.96 0.00 0.00 64.34 60.98 1x2q n VAL 29 Cb 0.04 -0.76 0.00 0.00 -1.06 0.00 0.00 33.84 32.07 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 -2.75 1.09 -1.38 1.45 1.02 -1.26 -5.01 120.64 113.80 1x2q n GLU 30 Ca -0.30 -0.17 -0.35 0.00 -0.02 0.00 0.00 57.16 56.32 1x2q n GLU 30 Cb 0.99 -0.01 0.08 0.00 -0.02 0.00 0.00 31.44 32.48 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 -2.74 7.64 -2.65 1.62 8.00 -1.26 -4.26 116.55 122.89 1x2q n ASP 31 Ca 0.01 -3.79 -0.03 0.00 0.71 0.00 0.00 54.79 51.68 1x2q n ASP 31 Cb 0.03 -0.97 -0.01 0.00 -0.02 0.00 0.00 41.12 40.15 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 -0.89 -1.08 -4.32 -2.24 5.15 -1.26 -5.16 115.26 105.46 1x2q n ASN 32 Ca 0.62 -1.59 -0.22 0.00 -0.60 0.00 0.00 54.58 52.79 1x2q n ASN 32 Cb 0.65 1.01 -0.10 0.00 -0.53 0.00 0.00 39.78 40.81 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 0.02 1.70 -0.18 1.20 2.02 -1.26 -3.74 118.70 118.45 1x2q s GLU 33 Ca 0.04 -1.97 -0.12 0.00 0.02 0.00 0.00 54.97 52.94 1x2q s GLU 33 Cb 0.06 -0.67 -0.05 0.00 0.10 0.00 0.00 34.13 33.57 1x2q s GLU 33 CO -0.03 -0.30 0.20 -1.17 0.02 0.00 0.00 175.26 173.98 1x2q s LEU 34 N -3.49 4.22 -0.31 1.80 0.20 0.51 -4.06 118.68 117.54 1x2q s LEU 34 Ca 0.33 0.34 -0.09 0.00 0.69 0.00 0.00 54.13 55.40 1x2q s LEU 34 Cb 0.07 -2.21 0.00 0.00 -0.43 0.00 0.00 46.19 43.61 1x2q s LEU 34 CO 0.15 0.14 0.14 -0.89 -0.29 0.00 0.00 176.35 175.60 1x2q s THR 35 N 0.43 4.42 0.29 3.68 2.01 -1.26 -3.38 115.64 121.83 1x2q s THR 35 Ca 0.12 -0.54 -0.18 0.00 0.31 0.00 0.00 61.69 61.40 1x2q s THR 35 Cb -0.12 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.13 1x2q s THR 35 CO 0.01 0.04 0.67 0.72 -0.69 0.00 0.00 174.62 175.37 1x2q s PHE 36 N 1.58 0.02 0.45 4.92 -0.12 -1.25 -4.83 117.98 118.75 1x2q s PHE 36 Ca 0.04 -0.49 0.03 0.00 -0.05 0.00 0.00 56.93 56.46 1x2q s PHE 36 Cb -0.17 0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 42.78 1x2q s PHE 36 CO 0.05 -1.24 0.05 0.15 -0.05 0.00 0.00 175.22 174.18 1x2q s LYS 37 N -3.64 2.04 0.57 1.99 1.02 -1.26 -0.95 119.74 119.50 1x2q s LYS 37 Ca 0.15 -2.26 -0.20 0.00 0.02 0.00 0.00 55.97 53.68 1x2q s LYS 37 Cb -0.05 -1.20 -0.04 0.00 -0.52 0.00 0.00 37.83 36.02 1x2q s LYS 37 CO 0.09 -0.34 1.27 -3.38 -0.92 0.00 0.00 175.35 172.07 1x2q s HIS 38 N -2.99 2.35 0.00 3.18 -3.43 -1.05 -2.81 115.29 110.55 1x2q s HIS 38 Ca 0.17 1.46 0.00 0.00 -0.80 0.00 0.00 55.06 55.89 1x2q s HIS 38 Cb 0.04 -3.63 0.00 0.00 -1.43 0.00 0.00 32.58 27.56 1x2q s HIS 38 CO 0.09 -2.52 0.00 0.41 -2.00 0.00 0.00 174.74 170.73 1x2q n GLY 39 N 0.66 1.85 3.44 -1.38 0.00 0.30 -4.91 105.19 105.15 1x2q n GLY 39 Ca 0.12 -0.23 -0.45 0.00 0.00 0.00 0.00 46.02 45.46 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 0.40 -3.42 1.61 1.02 -1.12 -3.98 120.64 115.15 1x2q n GLU 40 Ca 0.00 0.14 -0.35 0.00 -0.02 0.00 0.00 57.16 56.93 1x2q n GLU 40 Cb 0.00 -1.28 -0.06 0.00 -0.02 0.00 0.00 31.44 30.09 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 4.93 -0.05 -3.67 -1.09 -1.26 -0.77 121.20 118.10 1x2q s ILE 41 Ca 0.62 0.74 0.00 0.00 -2.23 0.00 0.00 60.65 59.78 1x2q s ILE 41 Cb -0.78 -3.72 0.03 0.00 -1.58 0.00 0.00 42.46 36.41 1x2q s ILE 41 CO 0.58 0.29 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.94 1x2q s ILE 42 N -1.41 0.36 -0.47 2.92 1.09 0.77 -4.58 121.20 119.89 1x2q s ILE 42 Ca 0.35 0.02 -0.22 0.00 -1.10 0.00 0.00 60.65 59.70 1x2q s ILE 42 Cb -0.15 -0.45 0.03 0.00 -1.06 0.00 0.00 42.46 40.83 1x2q s ILE 42 CO 0.18 0.21 0.76 -0.63 -0.10 0.00 0.00 174.94 175.36 1x2q s ILE 43 N 1.28 4.68 -0.13 2.92 1.09 0.42 -0.78 121.20 130.68 1x2q s ILE 43 Ca -0.06 0.23 -0.29 0.00 -1.10 0.00 0.00 60.65 59.43 1x2q s ILE 43 Cb -0.13 -4.32 -0.02 0.00 -1.06 0.00 0.00 42.46 36.92 1x2q s ILE 43 CO -0.02 -0.76 1.29 -0.69 -0.10 0.00 0.00 174.94 174.66 1x2q s VAL 44 N 3.20 4.20 -0.19 2.92 1.01 0.19 0.19 120.40 131.91 1x2q s VAL 44 Ca 0.27 1.47 -0.11 0.00 0.00 0.00 0.00 61.98 63.61 1x2q s VAL 44 Cb -0.13 -3.95 -0.20 0.00 0.00 0.00 0.00 36.38 32.09 1x2q s VAL 44 CO 0.20 -0.10 0.11 0.18 0.00 0.00 0.00 175.10 175.49 1x2q n LEU 45 N 6.33 2.35 -3.95 3.92 4.77 0.31 -3.90 117.00 126.84 1x2q n LEU 45 Ca 0.14 0.24 -0.20 0.00 -0.03 0.00 0.00 56.01 56.15 1x2q n LEU 45 Cb 0.45 -0.99 -0.16 0.00 -2.33 0.00 0.00 43.42 40.39 1x2q n LEU 45 CO 0.56 0.65 -0.42 -1.81 -1.33 0.00 0.00 177.39 175.04 1x2q s ASP 46 N -6.97 1.07 -0.22 -1.43 1.11 0.05 -5.02 116.67 105.25 1x2q s ASP 46 Ca -0.29 -0.16 0.17 0.00 0.18 0.00 0.00 52.55 52.45 1x2q s ASP 46 Cb 0.08 -0.40 0.47 0.00 1.07 0.00 0.00 42.92 44.14 1x2q s ASP 46 CO 0.64 0.01 1.16 -0.90 1.18 0.00 0.00 175.17 177.26 1x2q n ASP 47 N 3.63 2.60 -0.01 0.27 5.75 -1.26 -1.15 116.55 126.38 1x2q n ASP 47 Ca -0.21 -2.84 -0.10 0.00 -0.01 0.00 0.00 54.79 51.63 1x2q n ASP 47 Cb 0.53 -0.41 -0.04 0.00 -1.03 0.00 0.00 41.12 40.16 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 2.00 -0.10 -1.94 -1.12 0.02 -1.96 -3.43 113.55 107.02 1x2q h SER 48 Ca 0.03 0.04 -0.44 0.00 -0.84 0.00 0.00 61.79 60.58 1x2q h SER 48 Cb 1.42 0.07 0.01 0.00 0.14 0.00 0.00 62.40 64.04 1x2q h SER 48 CO 0.33 -0.04 -0.28 -1.81 -1.14 0.00 0.00 176.83 173.89 1x2q s ASP 49 N -5.20 5.90 -0.14 3.07 1.11 -1.26 -5.03 116.67 115.12 1x2q s ASP 49 Ca -0.13 -0.13 0.14 0.00 0.18 0.00 0.00 52.55 52.62 1x2q s ASP 49 Cb 0.09 -1.22 -0.20 0.00 1.07 0.00 0.00 42.92 42.65 1x2q s ASP 49 CO 0.67 -0.53 0.09 0.00 1.18 0.00 0.00 175.17 176.59 1x2q n ALA 50 N -1.75 1.73 0.07 5.23 0.00 -1.26 -4.51 120.51 120.01 1x2q n ALA 50 Ca 0.01 -0.98 -0.13 0.00 0.00 0.00 0.00 53.44 52.35 1x2q n ALA 50 Cb 0.58 -0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.13 -4.50 0.00 2.35 -1.95 -3.33 115.58 108.02 1x2q h ASN 51 Ca -0.38 -0.20 -0.70 0.00 -0.55 0.00 0.00 56.30 54.47 1x2q h ASN 51 Cb 1.84 0.03 -0.29 0.00 0.05 0.00 0.00 38.32 39.96 1x2q h ASN 51 CO 0.02 0.13 -0.87 0.26 -1.65 0.00 0.00 177.43 175.32 1x2q s TRP 52 N -5.18 2.40 -0.06 1.19 0.52 -1.26 -4.14 118.94 112.40 1x2q s TRP 52 Ca -0.15 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.62 1x2q s TRP 52 Cb 0.03 -1.52 0.00 0.00 -1.15 0.00 0.00 33.47 30.83 1x2q s TRP 52 CO 0.64 0.00 -0.17 -1.58 0.02 0.00 0.00 176.95 175.86 1x2q s TRP 53 N -0.63 1.77 -0.44 -1.98 0.52 0.50 -4.22 118.94 114.46 1x2q s TRP 53 Ca 0.10 -0.61 -0.18 0.00 0.02 0.00 0.00 56.10 55.43 1x2q s TRP 53 Cb -0.10 -1.22 0.03 0.00 -1.15 0.00 0.00 33.47 31.02 1x2q s TRP 53 CO -0.01 -0.25 0.51 0.21 0.02 0.00 0.00 176.95 177.44 1x2q s LYS 54 N 0.31 3.15 0.38 4.98 2.20 -0.30 -1.78 119.74 128.69 1x2q s LYS 54 Ca -0.10 -0.67 0.05 0.00 -0.36 0.00 0.00 55.97 54.89 1x2q s LYS 54 Cb -0.14 -3.98 -0.02 0.00 -1.51 0.00 0.00 37.83 32.17 1x2q s LYS 54 CO 0.04 -0.94 0.20 0.20 -0.36 0.00 0.00 175.35 174.49 1x2q s GLY 55 N 1.96 2.53 0.03 5.54 0.00 -1.20 0.12 107.32 116.30 1x2q s GLY 55 Ca 0.15 -1.55 0.02 0.00 0.00 0.00 0.00 44.72 43.35 1x2q s GLY 55 CO 0.15 -1.68 -0.07 1.85 0.00 0.00 0.00 173.10 173.35 1x2q s GLU 56 N -3.58 0.50 0.21 2.90 -6.30 0.51 -2.75 118.70 110.18 1x2q s GLU 56 Ca 0.30 -0.60 -0.05 0.00 -2.50 0.00 0.00 54.97 52.12 1x2q s GLU 56 Cb 0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 34.13 33.80 1x2q s GLU 56 CO 0.20 0.07 0.24 0.54 0.02 0.00 0.00 175.26 176.33 1x2q s ASN 57 N -1.19 0.08 0.23 -1.70 2.20 0.69 0.16 114.94 115.41 1x2q s ASN 57 Ca -0.07 -1.19 -0.13 0.00 -0.94 0.00 0.00 52.86 50.53 1x2q s ASN 57 Cb -0.08 0.44 0.30 0.00 -2.00 0.00 0.00 41.25 39.91 1x2q s ASN 57 CO 0.00 -0.93 1.42 0.00 -2.94 0.00 0.00 177.10 174.66 1x2q n HIS 58 N -0.28 0.14 0.09 1.54 1.44 -1.26 0.34 115.22 117.23 1x2q n HIS 58 Ca -0.00 1.12 -0.15 0.00 -2.01 0.00 0.00 57.72 56.68 1x2q n HIS 58 Cb 0.64 -0.92 -0.08 0.00 0.12 0.00 0.00 29.99 29.76 1x2q n HIS 58 CO 0.00 0.00 0.00 -0.09 -2.81 0.00 0.00 176.34 173.44 1x2q h ARG 59 N 0.00 -0.62 0.00 -1.40 2.43 -1.96 -3.48 114.38 109.34 1x2q h ARG 59 Ca 0.37 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 1x2q h ARG 59 Cb 0.59 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1x2q h ARG 59 CO -0.92 -0.42 0.00 0.41 -1.51 0.00 0.00 179.97 177.53 1x2q n GLY 60 N -1.47 -0.54 3.89 2.80 0.00 0.15 -5.14 105.19 104.89 1x2q n GLY 60 Ca -0.07 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.25 5.05 0.00 -0.61 1.01 -1.26 -0.22 121.20 121.92 1x2q s ILE 61 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1x2q s ILE 61 Cb 0.00 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.90 1x2q s ILE 61 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.50 1x2q n GLY 62 N -0.30 0.66 3.87 6.18 0.00 -1.11 -4.72 105.19 109.77 1x2q n GLY 62 Ca -0.07 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 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 4.05 -0.01 0.99 2.01 -1.25 -3.24 118.68 121.23 1x2q s LEU 63 Ca 0.00 1.04 -0.29 0.00 0.01 0.00 0.00 54.13 54.89 1x2q s LEU 63 Cb 0.00 -3.85 0.10 0.00 0.01 0.00 0.00 46.19 42.45 1x2q s LEU 63 CO 0.00 -0.20 1.00 0.72 1.01 0.00 0.00 176.35 178.88 1x2q s PHE 64 N -2.02 -0.23 0.21 0.29 -0.71 -0.73 0.19 117.98 114.98 1x2q s PHE 64 Ca 0.50 0.09 -0.30 0.00 -1.04 0.00 0.00 56.93 56.18 1x2q s PHE 64 Cb -0.11 0.55 -0.08 0.00 -1.21 0.00 0.00 43.02 42.18 1x2q s PHE 64 CO 0.23 -0.51 1.11 -1.25 -1.34 0.00 0.00 175.22 173.46 1x2q s PRO 65 N -2.95 4.60 0.00 1.99 0.04 -1.26 0.19 135.00 137.61 1x2q s PRO 65 Ca 0.08 1.75 0.25 0.00 0.04 0.00 0.00 61.00 63.13 1x2q s PRO 65 Cb -0.01 -3.25 1.16 0.00 0.04 0.00 0.00 34.50 32.44 1x2q s PRO 65 CO -0.06 0.10 1.82 -1.13 0.04 0.00 0.00 177.00 177.78 1x2q n SER 66 N 2.06 0.00 -1.05 6.66 3.41 -1.25 -2.55 113.62 120.90 1x2q n SER 66 Ca 0.02 0.24 0.04 0.00 -0.26 0.00 0.00 58.87 58.91 1x2q n SER 66 Cb 0.46 -0.40 0.19 0.00 -0.26 0.00 0.00 64.21 64.19 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 -1.40 2.98 -0.09 4.04 2.85 -1.26 -3.35 115.26 119.02 1x2q n ASN 67 Ca 0.09 -2.33 0.01 0.00 -0.11 0.00 0.00 54.58 52.24 1x2q n ASN 67 Cb 0.25 -0.49 0.01 0.00 1.24 0.00 0.00 39.78 40.78 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 0.39 0.00 -4.55 1.20 3.01 -1.06 -4.94 117.46 111.52 1x2q n PHE 68 Ca 0.13 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.33 1x2q n PHE 68 Cb 0.61 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.99 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 -0.39 0.79 0.18 -4.37 -7.23 -1.21 0.13 120.40 108.30 1x2q s VAL 69 Ca 0.03 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1x2q s VAL 69 Cb 0.02 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 1x2q s VAL 69 CO 0.04 0.00 -0.01 0.28 -0.31 0.00 0.00 175.10 175.11 1x2q s THR 70 N -3.15 0.78 -0.73 5.32 -1.32 -0.11 -4.74 115.64 111.69 1x2q s THR 70 Ca 0.22 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.74 1x2q s THR 70 Cb 0.03 -2.13 0.29 0.00 -1.51 0.00 0.00 72.50 69.19 1x2q s THR 70 CO 0.13 -0.48 1.04 0.35 -2.21 0.00 0.00 174.62 173.45 1x2q n THR 71 N -0.27 3.46 0.00 5.08 -2.24 -1.26 -2.72 114.28 116.34 1x2q n THR 71 Ca -0.07 -5.53 0.00 0.00 -2.27 0.00 0.00 64.05 56.18 1x2q n THR 71 Cb 0.63 -1.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.02 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 0.51 0.00 -2.60 3.42 2.85 -1.26 -5.11 115.26 113.07 1x2q n ASN 72 Ca 0.31 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.76 1x2q n ASN 72 Cb 0.38 0.15 -0.02 0.00 1.24 0.00 0.00 39.78 41.52 1x2q n ASN 72 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1x2q n LEU 73 N -2.20 -6.89 -1.76 1.20 4.77 -1.26 -4.84 117.00 106.02 1x2q n LEU 73 Ca 0.00 1.80 0.00 0.00 -0.03 0.00 0.00 56.01 57.78 1x2q n LEU 73 Cb 0.00 -3.23 0.00 0.00 -2.33 0.00 0.00 43.42 37.86 1x2q n LEU 73 CO 0.00 -3.48 -0.36 -3.20 -1.33 0.00 0.00 177.39 169.01 1x2q n ASN 74 N 1.14 -7.34 -4.38 -1.43 5.15 -1.26 -4.95 115.26 102.19 1x2q n ASN 74 Ca -0.20 1.13 -0.38 0.00 -0.60 0.00 0.00 54.58 54.53 1x2q n ASN 74 Cb 0.31 -4.08 -0.12 0.00 -0.53 0.00 0.00 39.78 35.36 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 -0.40 4.17 0.24 -1.44 1.01 -1.26 -4.98 121.20 118.53 1x2q s ILE 75 Ca 0.00 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 59.94 1x2q s ILE 75 Cb 0.00 -3.12 0.30 0.00 0.01 0.00 0.00 42.46 39.64 1x2q s ILE 75 CO 0.00 0.10 1.58 -0.33 0.00 0.00 0.00 174.94 176.29 1x2q h GLU 76 N 8.27 -0.03 -5.52 2.79 5.08 -1.98 -3.46 114.58 119.72 1x2q h GLU 76 Ca -0.32 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1x2q h GLU 76 Cb 1.14 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.32 1x2q h GLU 76 CO 0.61 -0.02 -0.94 2.41 -1.00 0.00 0.00 179.01 180.06 1x2q n THR 77 N -5.51 -7.91 -2.98 1.13 -1.04 -1.26 -5.03 114.28 91.67 1x2q n THR 77 Ca 0.11 1.59 0.02 0.00 -2.04 0.00 0.00 64.05 63.72 1x2q n THR 77 Cb 0.41 -4.90 -0.00 0.00 -1.82 0.00 0.00 70.33 64.02 1x2q n THR 77 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1x2q s GLU 78 N -0.50 0.47 -0.49 -2.82 2.02 -1.26 -5.07 118.70 111.05 1x2q s GLU 78 Ca -0.15 -0.13 0.06 0.00 0.02 0.00 0.00 54.97 54.77 1x2q s GLU 78 Cb 0.01 0.06 0.22 0.00 0.10 0.00 0.00 34.13 34.53 1x2q s GLU 78 CO 0.46 -0.69 0.79 0.00 0.02 0.00 0.00 175.26 175.84 1x2q n ALA 79 N 4.09 -1.03 -2.47 5.21 0.00 -1.26 -5.13 120.51 119.92 1x2q n ALA 79 Ca 0.08 -1.54 -0.26 0.00 0.00 0.00 0.00 53.44 51.72 1x2q n ALA 79 Cb 0.60 -1.31 -0.16 0.00 0.00 0.00 0.00 19.45 18.58 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 0.56 1.60 0.35 0.00 0.00 -1.26 -5.14 121.76 117.87 1x2q s ALA 80 Ca 0.32 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.51 1x2q s ALA 80 Cb 0.15 -0.41 -0.07 0.00 0.00 0.00 0.00 23.12 22.79 1x2q s ALA 80 CO -0.18 0.39 0.00 0.00 0.00 0.00 0.00 175.76 175.97 1x2q s ALA 81 N -0.44 2.72 -0.07 0.00 0.00 -1.26 -5.09 121.76 117.63 1x2q s ALA 81 Ca 0.07 -2.13 -0.30 0.00 0.00 0.00 0.00 51.96 49.61 1x2q s ALA 81 Cb -0.08 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 1x2q s ALA 81 CO -0.01 -0.15 1.62 0.54 0.00 0.00 0.00 175.76 177.76 1x2q s VAL 82 N -2.95 3.64 0.01 0.00 0.11 -1.26 -4.97 120.40 114.98 1x2q s VAL 82 Ca 0.34 0.77 -0.10 0.00 -2.93 0.00 0.00 61.98 60.07 1x2q s VAL 82 Cb 0.08 -3.51 0.01 0.00 -1.53 0.00 0.00 36.38 31.43 1x2q s VAL 82 CO 0.16 -0.07 0.21 -0.94 -3.33 0.00 0.00 175.10 171.12 1x2q s SER 83 N 3.27 -0.04 0.59 3.54 1.04 -1.26 -5.12 113.70 115.72 1x2q s SER 83 Ca 0.72 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.98 1x2q s SER 83 Cb -0.32 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1x2q s SER 83 CO 0.28 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1x2q n GLY 84 N 1.18 -3.15 3.81 7.32 0.00 -1.26 -4.89 105.19 108.20 1x2q n GLY 84 Ca -0.21 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 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 -4.24 2.24 -0.16 1.61 0.04 -1.26 -5.04 135.00 128.19 1x2q s PRO 85 Ca 0.00 0.69 -0.10 0.00 0.04 0.00 0.00 61.00 61.64 1x2q s PRO 85 Cb 0.00 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1x2q s PRO 85 CO 0.00 -1.52 0.16 0.45 0.04 0.00 0.00 177.00 176.13 1x2q s SER 86 N -3.89 6.33 0.00 6.66 0.15 -1.26 -4.63 113.70 117.06 1x2q s SER 86 Ca 0.60 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.63 1x2q s SER 86 Cb -0.14 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1x2q s SER 86 CO 0.54 0.26 0.00 -1.20 1.20 0.00 0.00 173.24 174.04 1x2q n SER 87 N 2.89 0.00 0.00 5.45 7.64 -1.26 -5.30 113.62 123.04 1x2q n SER 87 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1x2q n SER 87 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1x2q n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64