#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 0.00 0.13 1.61 2.88 -1.26 -5.07 113.62 111.91 1x2q n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x2q n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 -0.13 -4.86 -3.46 7.64 -1.26 -5.12 113.62 106.45 1x2q n SER 3 Ca 0.00 0.43 -0.30 0.00 1.01 0.00 0.00 58.87 60.01 1x2q n SER 3 Cb 0.00 0.35 0.05 0.00 -1.01 0.00 0.00 64.21 63.60 1x2q n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x2q s GLY 4 N -4.97 1.64 0.11 0.23 0.00 -1.26 -4.91 107.32 98.16 1x2q s GLY 4 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1x2q s GLY 4 CO 0.00 0.15 0.00 -1.26 0.00 0.00 0.00 173.10 171.99 1x2q n SER 5 N -3.06 -0.97 -4.82 1.64 2.88 -1.26 -5.13 113.62 102.90 1x2q n SER 5 Ca 0.07 0.50 -0.38 0.00 -1.33 0.00 0.00 58.87 57.73 1x2q n SER 5 Cb 0.56 1.22 -0.06 0.00 -0.75 0.00 0.00 64.21 65.17 1x2q n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x2q s SER 6 N -2.00 6.82 0.00 -3.46 1.04 -1.26 -4.95 113.70 109.90 1x2q s SER 6 Ca 0.00 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.41 1x2q s SER 6 Cb 0.00 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.85 1x2q s SER 6 CO 0.00 0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.11 1x2q n GLY 7 N 1.97 0.82 3.31 7.32 0.00 -1.26 -4.94 105.19 112.41 1x2q n GLY 7 Ca -0.13 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.82 4.99 -0.32 1.61 0.15 -1.26 -4.97 113.70 113.08 1x2q s SER 8 Ca 0.00 -0.76 -0.08 0.00 0.70 0.00 0.00 55.95 55.80 1x2q s SER 8 Cb 0.00 -1.84 0.21 0.00 -1.71 0.00 0.00 66.02 62.68 1x2q s SER 8 CO 0.00 -0.19 1.13 -0.70 1.20 0.00 0.00 173.24 174.69 1x2q s GLU 9 N 1.46 0.12 0.43 5.44 2.12 -1.26 -5.13 118.70 121.88 1x2q s GLU 9 Ca 0.02 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.24 1x2q s GLU 9 Cb -0.17 -0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.21 1x2q s GLU 9 CO 0.01 -0.15 0.00 -0.89 -0.54 0.00 0.00 175.26 173.69 1x2q n ILE 10 N 2.67 -4.97 -3.42 -3.70 5.41 -1.26 -4.98 119.36 109.10 1x2q n ILE 10 Ca 0.10 2.21 -0.24 0.00 1.00 0.00 0.00 62.75 65.82 1x2q n ILE 10 Cb 0.66 -3.04 -0.10 0.00 -0.71 0.00 0.00 39.64 36.45 1x2q n ILE 10 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1x2q s GLN 11 N -3.54 0.56 0.50 0.38 -0.21 -1.26 -5.00 119.66 111.09 1x2q s GLN 11 Ca 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 55.36 54.30 1x2q s GLN 11 Cb 0.00 -1.05 0.00 0.00 1.00 0.00 0.00 33.01 32.96 1x2q s GLN 11 CO 0.00 -1.19 0.00 1.28 -2.12 0.00 0.00 175.29 173.26 1x2q n LEU 12 N 4.21 -0.85 -2.20 2.90 4.77 -1.26 -5.01 117.00 119.56 1x2q n LEU 12 Ca 0.10 1.98 0.00 0.00 -0.03 0.00 0.00 56.01 58.06 1x2q n LEU 12 Cb 0.41 -3.01 0.00 0.00 -2.33 0.00 0.00 43.42 38.49 1x2q n LEU 12 CO 0.11 -2.04 -0.48 0.59 -1.33 0.00 0.00 177.39 174.24 1x2q n ASN 13 N -4.02 -9.20 -4.68 -1.43 3.02 -1.26 -4.84 115.26 92.85 1x2q n ASN 13 Ca -0.07 1.62 -0.42 0.00 -0.03 0.00 0.00 54.58 55.68 1x2q n ASN 13 Cb 0.58 -5.09 -0.03 0.00 -0.61 0.00 0.00 39.78 34.64 1x2q n ASN 13 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1x2q s ASN 14 N -0.55 7.00 -0.19 6.41 0.01 -1.26 -5.00 114.94 121.36 1x2q s ASN 14 Ca 0.00 1.85 -0.11 0.00 -0.71 0.00 0.00 52.86 53.89 1x2q s ASN 14 Cb 0.00 -2.56 0.06 0.00 0.41 0.00 0.00 41.25 39.17 1x2q s ASN 14 CO 0.00 -0.63 0.47 -1.59 -1.51 0.00 0.00 177.10 173.84 1x2q s LYS 15 N 2.42 0.47 0.48 -0.60 -2.85 -1.26 -5.17 119.74 113.23 1x2q s LYS 15 Ca 0.57 0.86 0.06 0.00 -1.00 0.00 0.00 55.97 56.46 1x2q s LYS 15 Cb -0.25 0.04 -0.01 0.00 -2.06 0.00 0.00 37.83 35.55 1x2q s LYS 15 CO 0.22 -0.15 0.26 0.14 0.10 0.00 0.00 175.35 175.93 1x2q s VAL 16 N 1.31 1.93 0.38 1.79 -7.23 -1.26 -5.10 120.40 112.23 1x2q s VAL 16 Ca -0.09 -1.62 0.04 0.00 -1.81 0.00 0.00 61.98 58.51 1x2q s VAL 16 Cb -0.07 -2.55 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 1x2q s VAL 16 CO -0.13 0.00 0.05 0.00 -0.31 0.00 0.00 175.10 174.72 1x2q s ALA 17 N -2.69 2.83 -0.48 1.32 0.00 -1.26 -5.10 121.76 116.37 1x2q s ALA 17 Ca 0.34 -1.77 -0.20 0.00 0.00 0.00 0.00 51.96 50.33 1x2q s ALA 17 Cb 0.00 0.50 0.04 0.00 0.00 0.00 0.00 23.12 23.67 1x2q s ALA 17 CO 0.20 -0.24 0.65 0.50 0.00 0.00 0.00 175.76 176.87 1x2q s ARG 18 N -3.82 3.20 0.21 0.00 3.52 -1.22 -4.97 118.95 115.87 1x2q s ARG 18 Ca 0.30 -0.62 -0.16 0.00 -0.13 0.00 0.00 55.73 55.12 1x2q s ARG 18 Cb 0.07 -4.03 -0.08 0.00 -1.56 0.00 0.00 34.95 29.35 1x2q s ARG 18 CO 0.14 -1.14 0.65 0.15 -0.81 0.00 0.00 175.30 174.29 1x2q s LYS 19 N 2.80 4.07 -0.00 5.12 1.02 -1.26 0.17 119.74 131.66 1x2q s LYS 19 Ca 0.19 0.65 -0.05 0.00 0.02 0.00 0.00 55.97 56.78 1x2q s LYS 19 Cb -0.16 -2.80 -0.00 0.00 -0.52 0.00 0.00 37.83 34.34 1x2q s LYS 19 CO 0.15 0.38 0.09 0.14 -0.92 0.00 0.00 175.35 175.20 1x2q s VAL 20 N -1.61 0.07 -0.21 3.17 -7.23 0.11 -4.67 120.40 110.03 1x2q s VAL 20 Ca 0.43 -0.58 -0.07 0.00 -1.81 0.00 0.00 61.98 59.95 1x2q s VAL 20 Cb -0.14 -0.33 -0.03 0.00 0.56 0.00 0.00 36.38 36.43 1x2q s VAL 20 CO 0.20 -0.32 0.06 -0.60 -0.31 0.00 0.00 175.10 174.13 1x2q s ARG 21 N -1.07 3.80 0.12 4.82 3.52 -0.83 0.78 118.95 130.10 1x2q s ARG 21 Ca -0.12 -0.42 -0.31 0.00 -0.13 0.00 0.00 55.73 54.75 1x2q s ARG 21 Cb -0.07 -3.25 -0.09 0.00 -1.56 0.00 0.00 34.95 29.98 1x2q s ARG 21 CO 0.01 0.05 1.66 0.00 -0.81 0.00 0.00 175.30 176.21 1x2q s ALA 22 N 0.98 3.75 -0.09 6.12 0.00 0.28 -0.79 121.76 132.01 1x2q s ALA 22 Ca 0.04 1.33 -0.13 0.00 0.00 0.00 0.00 51.96 53.20 1x2q s ALA 22 Cb -0.14 -3.68 -0.28 0.00 0.00 0.00 0.00 23.12 19.01 1x2q s ALA 22 CO 0.03 -1.01 0.56 -0.07 0.00 0.00 0.00 175.76 175.27 1x2q h LEU 23 N 7.89 0.46 -9.60 0.00 3.38 0.02 0.78 115.31 118.24 1x2q h LEU 23 Ca -0.43 -0.89 -0.61 0.00 0.09 0.00 0.00 57.88 56.04 1x2q h LEU 23 Cb 1.20 -0.15 -0.13 0.00 0.09 0.00 0.00 40.66 41.67 1x2q h LEU 23 CO 0.93 1.71 -0.60 -0.31 0.09 0.00 0.00 178.44 180.26 1x2q s TYR 24 N -2.52 2.42 -0.35 1.13 2.02 -1.23 -4.59 117.35 114.24 1x2q s TYR 24 Ca -0.19 -0.72 -0.21 0.00 -0.37 0.00 0.00 57.07 55.58 1x2q s TYR 24 Cb 0.05 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 1x2q s TYR 24 CO 0.79 0.38 0.67 0.16 -1.57 0.00 0.00 175.55 175.98 1x2q s ASP 25 N -3.68 6.48 0.51 2.29 1.47 -1.26 -2.94 116.67 119.53 1x2q s ASP 25 Ca 0.34 0.26 0.08 0.00 1.18 0.00 0.00 52.55 54.42 1x2q s ASP 25 Cb 0.10 -2.34 0.04 0.00 -0.34 0.00 0.00 42.92 40.37 1x2q s ASP 25 CO 0.17 -0.60 0.58 0.12 0.68 0.00 0.00 175.17 176.13 1x2q s PHE 26 N 2.78 1.94 -0.30 2.11 5.36 0.31 -4.86 117.98 125.33 1x2q s PHE 26 Ca 0.26 -0.65 -0.03 0.00 -0.96 0.00 0.00 56.93 55.54 1x2q s PHE 26 Cb -0.14 -2.16 0.19 0.00 -0.34 0.00 0.00 43.02 40.57 1x2q s PHE 26 CO 0.14 -0.67 0.81 -2.00 -1.46 0.00 0.00 175.22 172.04 1x2q s GLU 27 N -4.42 0.37 -0.01 10.12 2.12 -1.26 -3.67 118.70 121.95 1x2q s GLU 27 Ca 0.51 0.44 -0.40 0.00 0.36 0.00 0.00 54.97 55.89 1x2q s GLU 27 Cb -0.05 0.22 -0.20 0.00 0.26 0.00 0.00 34.13 34.36 1x2q s GLU 27 CO 0.32 -0.61 1.13 0.00 -0.54 0.00 0.00 175.26 175.56 1x2q n ALA 28 N 5.32 -3.20 -0.08 6.30 0.00 -1.14 -4.85 120.51 122.88 1x2q n ALA 28 Ca 0.04 0.58 -0.13 0.00 0.00 0.00 0.00 53.44 53.94 1x2q n ALA 28 Cb 0.55 -1.81 -0.14 0.00 0.00 0.00 0.00 19.45 18.04 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 1.77 1.51 -2.20 0.00 3.14 -1.26 -4.96 118.33 116.32 1x2q n VAL 29 Ca 0.20 -0.76 -0.07 0.00 -2.96 0.00 0.00 64.34 60.75 1x2q n VAL 29 Cb 0.09 -0.95 0.04 0.00 -1.06 0.00 0.00 33.84 31.96 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 -3.01 0.29 -0.67 1.45 1.02 -1.26 -4.99 120.64 113.47 1x2q n GLU 30 Ca -0.32 -0.78 0.09 0.00 -0.02 0.00 0.00 57.16 56.14 1x2q n GLU 30 Cb 1.09 -0.23 0.37 0.00 -0.02 0.00 0.00 31.44 32.65 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 -3.01 4.96 -2.75 1.62 8.00 -1.26 -4.16 116.55 119.95 1x2q n ASP 31 Ca 0.05 -2.53 -0.02 0.00 0.71 0.00 0.00 54.79 53.00 1x2q n ASP 31 Cb 0.17 -0.60 0.08 0.00 -0.02 0.00 0.00 41.12 40.75 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 1.07 0.20 -4.65 -2.24 5.15 -1.26 -5.12 115.26 108.42 1x2q n ASN 32 Ca 0.26 -2.18 -0.29 0.00 -0.60 0.00 0.00 54.58 51.78 1x2q n ASN 32 Cb 0.95 0.05 -0.10 0.00 -0.53 0.00 0.00 39.78 40.14 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 -2.03 2.00 -0.20 1.20 2.02 -1.26 -3.74 118.70 116.70 1x2q s GLU 33 Ca 0.20 -2.15 -0.11 0.00 0.02 0.00 0.00 54.97 52.93 1x2q s GLU 33 Cb 0.38 -1.63 -0.05 0.00 0.10 0.00 0.00 34.13 32.94 1x2q s GLU 33 CO -0.07 -0.10 0.18 -1.17 0.02 0.00 0.00 175.26 174.12 1x2q s LEU 34 N -3.74 4.20 -0.22 1.80 0.20 0.54 -4.16 118.68 117.31 1x2q s LEU 34 Ca 0.30 0.29 -0.04 0.00 0.69 0.00 0.00 54.13 55.37 1x2q s LEU 34 Cb 0.09 -2.17 -0.01 0.00 -0.43 0.00 0.00 46.19 43.66 1x2q s LEU 34 CO 0.16 0.14 -0.04 -0.89 -0.29 0.00 0.00 176.35 175.42 1x2q s THR 35 N 0.52 3.41 0.25 3.68 2.01 -1.26 -2.86 115.64 121.38 1x2q s THR 35 Ca 0.10 -0.48 -0.17 0.00 0.31 0.00 0.00 61.69 61.45 1x2q s THR 35 Cb -0.12 -2.55 0.01 0.00 0.01 0.00 0.00 72.50 69.86 1x2q s THR 35 CO 0.01 0.43 0.59 0.72 -0.69 0.00 0.00 174.62 175.67 1x2q s PHE 36 N 1.40 0.04 0.49 4.92 -0.12 -1.24 -4.83 117.98 118.64 1x2q s PHE 36 Ca 0.05 -0.44 0.05 0.00 -0.05 0.00 0.00 56.93 56.53 1x2q s PHE 36 Cb -0.14 0.45 0.05 0.00 -0.63 0.00 0.00 43.02 42.74 1x2q s PHE 36 CO -0.03 -1.09 0.38 1.63 -0.05 0.00 0.00 175.22 176.07 1x2q n LYS 37 N -0.41 0.77 -2.73 1.99 4.01 -1.26 -0.53 118.16 120.00 1x2q n LYS 37 Ca -0.04 -3.03 -0.42 0.00 -0.51 0.00 0.00 58.31 54.32 1x2q n LYS 37 Cb 0.61 0.30 -0.03 0.00 -0.51 0.00 0.00 35.03 35.39 1x2q n LYS 37 CO 0.00 0.00 0.00 -3.38 -1.11 0.00 0.00 177.40 172.91 1x2q s HIS 38 N -2.40 3.69 0.00 2.13 -3.43 -1.15 -3.70 115.29 110.43 1x2q s HIS 38 Ca 0.29 1.71 0.00 0.00 -0.80 0.00 0.00 55.06 56.26 1x2q s HIS 38 Cb -0.02 -3.09 0.00 0.00 -1.43 0.00 0.00 32.58 28.04 1x2q s HIS 38 CO 0.18 0.05 0.00 0.41 -2.00 0.00 0.00 174.74 173.38 1x2q n GLY 39 N 2.74 3.08 3.37 -1.38 0.00 0.27 -4.92 105.19 108.36 1x2q n GLY 39 Ca 0.05 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 0.24 -3.43 1.61 1.02 -1.24 -3.79 120.64 115.04 1x2q n GLU 40 Ca 0.00 0.09 -0.34 0.00 -0.02 0.00 0.00 57.16 56.89 1x2q n GLU 40 Cb 0.00 -1.22 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.58 4.94 -0.04 -3.67 -1.09 -1.26 -0.56 121.20 117.94 1x2q s ILE 41 Ca 0.61 0.60 0.00 0.00 -2.23 0.00 0.00 60.65 59.64 1x2q s ILE 41 Cb -0.63 -3.67 0.02 0.00 -1.58 0.00 0.00 42.46 36.60 1x2q s ILE 41 CO 0.60 0.15 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.81 1x2q s ILE 42 N -1.57 0.35 -0.49 2.92 1.01 0.23 -4.51 121.20 119.15 1x2q s ILE 42 Ca 0.40 0.01 -0.22 0.00 0.00 0.00 0.00 60.65 60.84 1x2q s ILE 42 Cb -0.13 -0.43 0.04 0.00 0.01 0.00 0.00 42.46 41.94 1x2q s ILE 42 CO 0.20 0.20 0.77 -0.63 0.00 0.00 0.00 174.94 175.48 1x2q s ILE 43 N 1.15 4.65 -0.02 2.92 1.09 0.50 0.06 121.20 131.56 1x2q s ILE 43 Ca -0.08 0.15 -0.30 0.00 -1.10 0.00 0.00 60.65 59.33 1x2q s ILE 43 Cb -0.14 -4.36 -0.05 0.00 -1.06 0.00 0.00 42.46 36.86 1x2q s ILE 43 CO -0.02 -0.82 1.30 -0.69 -0.10 0.00 0.00 174.94 174.61 1x2q s VAL 44 N 3.26 3.96 -0.25 2.92 1.01 0.45 0.17 120.40 131.92 1x2q s VAL 44 Ca 0.26 1.33 0.03 0.00 0.00 0.00 0.00 61.98 63.60 1x2q s VAL 44 Cb -0.14 -3.85 -0.18 0.00 0.00 0.00 0.00 36.38 32.21 1x2q s VAL 44 CO 0.19 0.01 -0.16 0.18 0.00 0.00 0.00 175.10 175.31 1x2q n LEU 45 N 5.15 2.69 -3.96 3.92 4.77 0.39 -3.43 117.00 126.53 1x2q n LEU 45 Ca 0.12 -0.10 -0.18 0.00 -0.03 0.00 0.00 56.01 55.81 1x2q n LEU 45 Cb 0.45 -0.79 -0.15 0.00 -2.33 0.00 0.00 43.42 40.59 1x2q n LEU 45 CO 0.57 0.89 -0.42 -1.81 -1.33 0.00 0.00 177.39 175.30 1x2q s ASP 46 N -6.46 0.87 -0.31 -1.43 1.11 0.51 -5.02 116.67 105.93 1x2q s ASP 46 Ca -0.32 -0.13 0.17 0.00 0.18 0.00 0.00 52.55 52.45 1x2q s ASP 46 Cb 0.09 -0.21 0.47 0.00 1.07 0.00 0.00 42.92 44.33 1x2q s ASP 46 CO 0.63 0.04 1.05 -0.90 1.18 0.00 0.00 175.17 177.17 1x2q n ASP 47 N 3.28 2.32 -0.03 0.27 5.75 -1.26 -1.32 116.55 125.56 1x2q n ASP 47 Ca -0.17 -2.74 -0.12 0.00 -0.01 0.00 0.00 54.79 51.75 1x2q n ASP 47 Cb 0.55 -0.48 -0.10 0.00 -1.03 0.00 0.00 41.12 40.06 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 2.72 -0.04 -3.62 -1.12 0.02 -1.96 -3.43 113.55 106.12 1x2q h SER 48 Ca -0.01 -0.67 -0.62 0.00 -0.84 0.00 0.00 61.79 59.66 1x2q h SER 48 Cb 1.21 0.01 -0.14 0.00 0.14 0.00 0.00 62.40 63.62 1x2q h SER 48 CO 0.47 0.71 -0.44 -0.62 -1.14 0.00 0.00 176.83 175.81 1x2q s ASP 49 N -5.89 6.16 0.42 3.07 2.15 -1.26 -4.95 116.67 116.39 1x2q s ASP 49 Ca -0.15 0.17 0.21 0.00 0.43 0.00 0.00 52.55 53.21 1x2q s ASP 49 Cb -0.01 -2.14 0.91 0.00 -0.30 0.00 0.00 42.92 41.39 1x2q s ASP 49 CO 0.59 0.01 1.84 0.00 -0.17 0.00 0.00 175.17 177.43 1x2q h ALA 50 N 7.67 1.12 0.16 3.66 0.00 -1.99 -3.01 119.26 126.86 1x2q h ALA 50 Ca -0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 1x2q h ALA 50 Cb 1.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1x2q h ALA 50 CO 0.65 0.36 -0.07 -0.91 0.00 0.00 0.00 179.25 179.27 1x2q h ASN 51 N 0.00 -0.18 -3.31 0.00 2.35 -1.93 -3.33 115.58 109.19 1x2q h ASN 51 Ca -0.00 -0.24 -0.66 0.00 -0.55 0.00 0.00 56.30 54.85 1x2q h ASN 51 Cb 0.70 0.05 -0.33 0.00 0.05 0.00 0.00 38.32 38.78 1x2q h ASN 51 CO 0.04 0.15 -0.87 0.26 -1.65 0.00 0.00 177.43 175.36 1x2q s TRP 52 N -4.88 2.45 -0.07 1.19 0.52 -1.14 -4.16 118.94 112.84 1x2q s TRP 52 Ca -0.15 -1.07 0.02 0.00 0.02 0.00 0.00 56.10 54.93 1x2q s TRP 52 Cb 0.03 -1.66 -0.02 0.00 -1.15 0.00 0.00 33.47 30.67 1x2q s TRP 52 CO 0.61 -0.46 -0.13 -1.58 0.02 0.00 0.00 176.95 175.41 1x2q s TRP 53 N 0.53 2.76 -0.44 -1.98 0.52 0.51 -3.99 118.94 116.85 1x2q s TRP 53 Ca -0.15 -0.25 -0.15 0.00 0.02 0.00 0.00 56.10 55.57 1x2q s TRP 53 Cb -0.17 -1.70 0.04 0.00 -1.15 0.00 0.00 33.47 30.50 1x2q s TRP 53 CO 0.05 0.11 0.35 0.21 0.02 0.00 0.00 176.95 177.69 1x2q s LYS 54 N -0.47 2.98 0.38 4.98 2.20 -0.43 -1.86 119.74 127.52 1x2q s LYS 54 Ca 0.06 -1.14 0.06 0.00 -0.36 0.00 0.00 55.97 54.59 1x2q s LYS 54 Cb -0.12 -4.04 -0.02 0.00 -1.51 0.00 0.00 37.83 32.14 1x2q s LYS 54 CO 0.02 -0.87 0.21 0.20 -0.36 0.00 0.00 175.35 174.55 1x2q s GLY 55 N 2.06 2.53 0.05 5.54 0.00 -1.20 0.15 107.32 116.44 1x2q s GLY 55 Ca 0.05 -1.59 0.04 0.00 0.00 0.00 0.00 44.72 43.21 1x2q s GLY 55 CO 0.09 -1.66 -0.11 1.85 0.00 0.00 0.00 173.10 173.27 1x2q s GLU 56 N -3.56 0.67 0.21 2.90 -6.30 0.44 -2.87 118.70 110.19 1x2q s GLU 56 Ca 0.31 -0.79 -0.06 0.00 -2.50 0.00 0.00 54.97 51.93 1x2q s GLU 56 Cb 0.02 -0.57 -0.02 0.00 0.00 0.00 0.00 34.13 33.56 1x2q s GLU 56 CO 0.21 0.12 0.27 0.54 0.02 0.00 0.00 175.26 176.42 1x2q s ASN 57 N -1.50 0.06 0.22 -1.70 2.20 0.12 0.19 114.94 114.53 1x2q s ASN 57 Ca -0.05 -1.18 -0.15 0.00 -0.94 0.00 0.00 52.86 50.54 1x2q s ASN 57 Cb -0.09 0.46 0.25 0.00 -2.00 0.00 0.00 41.25 39.86 1x2q s ASN 57 CO 0.01 -0.95 1.43 0.00 -2.94 0.00 0.00 177.10 174.65 1x2q n HIS 58 N -0.30 0.07 0.00 1.54 1.44 -1.26 0.67 115.22 117.37 1x2q n HIS 58 Ca -0.00 1.13 -0.11 0.00 -2.01 0.00 0.00 57.72 56.73 1x2q n HIS 58 Cb 0.64 -0.87 -0.04 0.00 0.12 0.00 0.00 29.99 29.84 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 -0.38 0.00 -1.40 3.08 -1.96 -3.48 114.38 110.24 1x2q h ARG 59 Ca 0.34 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1x2q h ARG 59 Cb 0.56 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1x2q h ARG 59 CO -0.92 -0.25 0.00 0.41 -1.07 0.00 0.00 179.97 178.14 1x2q n GLY 60 N -1.41 -0.52 3.96 0.04 0.00 0.21 -5.14 105.19 102.33 1x2q n GLY 60 Ca -0.03 -0.90 -0.19 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 -3.36 3.89 0.00 -0.61 1.09 -1.26 0.12 121.20 121.08 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 -3.34 0.00 0.00 -1.06 0.00 0.00 42.46 38.06 1x2q s ILE 61 CO 0.00 -0.15 0.00 0.61 -0.10 0.00 0.00 174.94 175.30 1x2q n GLY 62 N -1.58 -0.74 3.91 6.18 0.00 -1.14 -4.68 105.19 107.15 1x2q n GLY 62 Ca -0.00 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 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 4.32 -0.02 0.99 2.01 -1.25 -3.26 118.68 121.47 1x2q s LEU 63 Ca 0.00 0.38 -0.30 0.00 0.01 0.00 0.00 54.13 54.22 1x2q s LEU 63 Cb 0.00 -3.09 0.11 0.00 0.01 0.00 0.00 46.19 43.21 1x2q s LEU 63 CO 0.00 0.11 1.05 0.72 1.01 0.00 0.00 176.35 179.23 1x2q s PHE 64 N -1.60 -0.20 0.35 0.29 -0.71 -0.78 0.20 117.98 115.54 1x2q s PHE 64 Ca 0.37 0.05 -0.26 0.00 -1.04 0.00 0.00 56.93 56.05 1x2q s PHE 64 Cb -0.12 0.56 -0.09 0.00 -1.21 0.00 0.00 43.02 42.15 1x2q s PHE 64 CO 0.27 -0.48 1.07 -1.25 -1.34 0.00 0.00 175.22 173.48 1x2q s PRO 65 N -2.88 4.36 0.05 1.99 0.04 -1.26 0.19 135.00 137.49 1x2q s PRO 65 Ca 0.09 1.63 0.28 0.00 0.04 0.00 0.00 61.00 63.03 1x2q s PRO 65 Cb -0.00 -2.81 0.98 0.00 0.04 0.00 0.00 34.50 32.71 1x2q s PRO 65 CO -0.05 0.01 1.78 0.43 0.04 0.00 0.00 177.00 179.21 1x2q n SER 66 N 0.45 0.28 -0.33 6.66 7.64 -1.25 -2.93 113.62 124.13 1x2q n SER 66 Ca 0.02 0.36 0.05 0.00 1.01 0.00 0.00 58.87 60.32 1x2q n SER 66 Cb 0.48 -0.39 0.20 0.00 -1.01 0.00 0.00 64.21 63.49 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 -1.68 0.97 -0.54 6.43 2.85 -1.26 -3.01 115.26 119.03 1x2q n ASN 67 Ca 0.06 -1.86 0.06 0.00 -0.11 0.00 0.00 54.58 52.73 1x2q n ASN 67 Cb 0.36 -0.10 0.09 0.00 1.24 0.00 0.00 39.78 41.36 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 -0.03 0.16 -4.36 1.20 3.01 -1.15 -4.93 117.46 111.36 1x2q n PHE 68 Ca 0.09 -0.17 -0.19 0.00 1.01 0.00 0.00 57.45 58.19 1x2q n PHE 68 Cb 0.17 -0.01 -0.09 0.00 -0.01 0.00 0.00 39.48 39.54 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 -0.99 0.49 0.00 -4.37 -7.23 -1.16 0.74 120.40 107.88 1x2q s VAL 69 Ca 0.17 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.35 1x2q s VAL 69 Cb 0.11 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.50 1x2q s VAL 69 CO 0.15 0.00 -0.04 0.28 -0.31 0.00 0.00 175.10 175.19 1x2q s THR 70 N -3.56 0.26 -1.20 5.32 -1.32 0.03 -4.78 115.64 110.39 1x2q s THR 70 Ca 0.35 -0.29 -0.10 0.00 -1.21 0.00 0.00 61.69 60.43 1x2q s THR 70 Cb 0.06 -0.25 0.21 0.00 -1.51 0.00 0.00 72.50 71.00 1x2q s THR 70 CO 0.16 -0.03 1.55 0.35 -2.21 0.00 0.00 174.62 174.45 1x2q n THR 71 N 2.73 4.51 0.03 5.08 -2.24 -1.26 -1.96 114.28 121.17 1x2q n THR 71 Ca -0.14 -4.90 0.00 0.00 -2.27 0.00 0.00 64.05 56.73 1x2q n THR 71 Cb 0.58 -2.38 0.00 0.00 -2.10 0.00 0.00 70.33 66.43 1x2q n THR 71 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1x2q n ASN 72 N 3.90 -0.52 0.00 3.42 4.13 -1.26 -5.05 115.26 119.88 1x2q n ASN 72 Ca 0.34 0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.73 1x2q n ASN 72 Cb 0.38 0.82 0.00 0.00 -1.54 0.00 0.00 39.78 39.44 1x2q n ASN 72 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x2q n LEU 73 N -2.65 0.00 -1.26 3.41 4.77 -1.26 -4.87 117.00 115.14 1x2q n LEU 73 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1x2q n LEU 73 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1x2q n LEU 73 CO 0.00 0.00 -0.53 0.59 -1.33 0.00 0.00 177.39 176.12 1x2q n ASN 74 N 1.62 -6.85 -2.84 -1.43 3.02 -1.26 -4.96 115.26 102.57 1x2q n ASN 74 Ca 0.00 1.34 -0.01 0.00 -0.03 0.00 0.00 54.58 55.88 1x2q n ASN 74 Cb 0.00 -4.27 -0.01 0.00 -0.61 0.00 0.00 39.78 34.89 1x2q n ASN 74 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1x2q n ILE 75 N -3.69 -8.82 0.02 2.41 2.08 -1.26 -4.94 119.36 105.16 1x2q n ILE 75 Ca -0.07 1.56 0.00 0.00 0.56 0.00 0.00 62.75 64.80 1x2q n ILE 75 Cb 0.56 -5.50 0.00 0.00 -0.75 0.00 0.00 39.64 33.95 1x2q n ILE 75 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1x2q n GLU 76 N 1.25 0.00 -4.06 0.38 2.13 -1.26 -5.10 120.64 113.99 1x2q n GLU 76 Ca -0.09 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.40 1x2q n GLU 76 Cb 0.26 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.82 1x2q n GLU 76 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1x2q s THR 77 N -2.00 2.25 0.06 6.31 2.01 -1.26 -5.10 115.64 117.91 1x2q s THR 77 Ca 0.00 -1.51 0.08 0.00 0.31 0.00 0.00 61.69 60.57 1x2q s THR 77 Cb 0.00 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 1x2q s THR 77 CO 0.00 0.04 -0.23 -1.61 -0.69 0.00 0.00 174.62 172.14 1x2q s GLU 78 N 1.14 1.42 0.13 4.92 2.02 -1.26 -5.03 118.70 122.05 1x2q s GLU 78 Ca -0.07 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 53.86 1x2q s GLU 78 Cb -0.19 -1.62 0.00 0.00 0.10 0.00 0.00 34.13 32.42 1x2q s GLU 78 CO -0.06 0.41 0.00 0.00 0.02 0.00 0.00 175.26 175.63 1x2q n ALA 79 N 1.58 3.00 -2.72 5.21 0.00 -1.26 -5.12 120.51 121.20 1x2q n ALA 79 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 1x2q n ALA 79 Cb 0.53 0.04 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 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 -3.04 -3.48 -3.89 0.00 0.00 -1.26 -4.99 120.51 103.85 1x2q n ALA 80 Ca 0.00 0.69 -0.30 0.00 0.00 0.00 0.00 53.44 53.83 1x2q n ALA 80 Cb 0.00 -1.38 -0.14 0.00 0.00 0.00 0.00 19.45 17.93 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 -1.52 2.73 0.17 0.00 0.00 -1.26 -5.10 121.76 116.78 1x2q s ALA 81 Ca -0.03 -2.75 -0.19 0.00 0.00 0.00 0.00 51.96 48.99 1x2q s ALA 81 Cb 0.00 -1.99 -0.08 0.00 0.00 0.00 0.00 23.12 21.06 1x2q s ALA 81 CO 0.77 -1.91 0.65 0.54 0.00 0.00 0.00 175.76 175.81 1x2q s VAL 82 N 0.37 4.66 -0.17 0.00 0.11 -1.26 -5.00 120.40 119.10 1x2q s VAL 82 Ca 0.15 1.19 -0.15 0.00 -2.93 0.00 0.00 61.98 60.24 1x2q s VAL 82 Cb -0.23 -3.86 -0.11 0.00 -1.53 0.00 0.00 36.38 30.65 1x2q s VAL 82 CO -0.05 0.32 0.01 -1.28 -3.33 0.00 0.00 175.10 170.77 1x2q h SER 83 N 3.78 0.00 -2.77 3.54 0.87 -2.07 -3.50 113.55 113.40 1x2q h SER 83 Ca -0.48 -0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 59.76 1x2q h SER 83 Cb 1.20 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 1x2q h SER 83 CO 0.65 1.10 0.13 0.61 -0.53 0.00 0.00 176.83 178.78 1x2q n GLY 84 N 1.53 1.51 0.00 5.77 0.00 -1.26 -5.10 105.19 107.64 1x2q n GLY 84 Ca -0.19 -1.29 -0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.00 0.00 1.61 0.13 -2.06 -3.47 132.00 128.21 1x2q h PRO 85 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1x2q h PRO 85 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1x2q h PRO 85 CO 0.32 -0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.95 1x2q n SER 86 N -2.03 0.00 -0.97 1.44 3.41 -1.26 -4.94 113.62 109.27 1x2q n SER 86 Ca -0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 1x2q n SER 86 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1x2q n SER 86 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x2q n SER 87 N 1.81 -5.80 0.00 4.04 7.64 -1.26 -5.34 113.62 114.71 1x2q n SER 87 Ca 0.00 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.50 1x2q n SER 87 Cb 0.00 -1.75 0.00 0.00 -1.01 0.00 0.00 64.21 61.45 1x2q n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64