#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 0.70 -0.28 1.61 1.04 -1.26 -5.16 113.70 110.36 1x2q s SER 2 Ca 0.00 -0.74 -0.22 0.00 0.48 0.00 0.00 55.95 55.47 1x2q s SER 2 Cb 0.00 0.10 0.10 0.00 0.10 0.00 0.00 66.02 66.32 1x2q s SER 2 CO 0.00 -0.37 0.84 -0.44 0.98 0.00 0.00 173.24 174.25 1x2q s SER 3 N -2.17 -0.67 0.24 7.02 0.01 -1.26 -5.18 113.70 111.69 1x2q s SER 3 Ca -0.03 1.21 -0.10 0.00 1.31 0.00 0.00 55.95 58.34 1x2q s SER 3 Cb -0.03 1.25 -0.01 0.00 0.21 0.00 0.00 66.02 67.44 1x2q s SER 3 CO -0.03 -0.20 0.42 -0.83 0.41 0.00 0.00 173.24 173.00 1x2q s GLY 4 N 0.72 0.74 -0.59 3.44 0.00 -1.26 -5.10 107.32 105.27 1x2q s GLY 4 Ca -0.02 -1.05 -0.28 0.00 0.00 0.00 0.00 44.72 43.37 1x2q s GLY 4 CO -0.08 -0.78 1.43 -0.45 0.00 0.00 0.00 173.10 173.22 1x2q s SER 5 N -3.05 6.08 -0.29 1.64 0.15 -1.26 -4.91 113.70 112.06 1x2q s SER 5 Ca 0.26 0.20 0.02 0.00 0.70 0.00 0.00 55.95 57.12 1x2q s SER 5 Cb 0.01 -2.55 0.16 0.00 -1.71 0.00 0.00 66.02 61.93 1x2q s SER 5 CO 0.10 -1.77 0.40 -0.55 1.20 0.00 0.00 173.24 172.62 1x2q s SER 6 N 4.57 0.53 0.00 5.45 0.15 -1.26 -5.14 113.70 118.00 1x2q s SER 6 Ca 0.51 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1x2q s SER 6 Cb -0.11 1.04 0.00 0.00 -1.71 0.00 0.00 66.02 65.24 1x2q s SER 6 CO 0.23 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.93 1x2q n GLY 7 N 5.35 1.75 3.61 9.45 0.00 -1.26 -5.16 105.19 118.93 1x2q n GLY 7 Ca 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.00 -0.13 -0.42 1.61 0.15 -1.26 -5.12 113.70 107.53 1x2q s SER 8 Ca 0.00 0.04 -0.07 0.00 0.70 0.00 0.00 55.95 56.62 1x2q s SER 8 Cb 0.00 0.13 0.09 0.00 -1.71 0.00 0.00 66.02 64.53 1x2q s SER 8 CO 0.00 -0.19 0.25 -1.61 1.20 0.00 0.00 173.24 172.89 1x2q s GLU 9 N -2.04 2.45 -0.16 5.44 2.02 -1.26 -5.06 118.70 120.09 1x2q s GLU 9 Ca 0.09 -1.58 0.01 0.00 0.02 0.00 0.00 54.97 53.50 1x2q s GLU 9 Cb -0.01 -3.73 0.01 0.00 0.10 0.00 0.00 34.13 30.50 1x2q s GLU 9 CO -0.05 -1.00 -0.18 0.96 0.02 0.00 0.00 175.26 175.01 1x2q s ILE 10 N 1.34 2.29 -0.49 -1.63 -5.25 -1.26 -5.03 121.20 111.18 1x2q s ILE 10 Ca 0.04 -0.88 0.06 0.00 -0.99 0.00 0.00 60.65 58.88 1x2q s ILE 10 Cb -0.23 -1.96 0.21 0.00 2.95 0.00 0.00 42.46 43.43 1x2q s ILE 10 CO 0.00 0.53 0.70 1.67 -1.79 0.00 0.00 174.94 176.05 1x2q n GLN 11 N 4.32 0.57 -2.05 0.37 -0.06 -1.26 -5.05 117.38 114.21 1x2q n GLN 11 Ca -0.20 -2.21 -0.03 0.00 -2.00 0.00 0.00 57.00 52.56 1x2q n GLN 11 Cb 0.51 -1.48 -0.02 0.00 -4.06 0.00 0.00 30.24 25.19 1x2q n GLN 11 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1x2q n LEU 12 N 2.45 -4.18 -4.33 1.69 4.32 -1.26 -5.08 117.00 110.60 1x2q n LEU 12 Ca 0.17 1.24 -0.18 0.00 -0.02 0.00 0.00 56.01 57.23 1x2q n LEU 12 Cb 0.57 -2.21 -0.10 0.00 -1.62 0.00 0.00 43.42 40.06 1x2q n LEU 12 CO 0.03 -2.11 -0.41 0.20 -1.22 0.00 0.00 177.39 173.87 1x2q s ASN 13 N -0.35 2.35 -0.29 -1.43 0.01 -1.26 -5.13 114.94 108.85 1x2q s ASN 13 Ca -0.15 -1.06 -0.00 0.00 -0.71 0.00 0.00 52.86 50.94 1x2q s ASN 13 Cb 0.01 -0.10 0.09 0.00 0.41 0.00 0.00 41.25 41.66 1x2q s ASN 13 CO 0.40 -0.26 0.07 0.21 -1.51 0.00 0.00 177.10 176.00 1x2q s ASN 14 N -3.30 3.95 0.54 -1.22 3.84 -1.26 -5.12 114.94 112.38 1x2q s ASN 14 Ca 0.23 -1.54 0.05 0.00 0.21 0.00 0.00 52.86 51.81 1x2q s ASN 14 Cb 0.01 -0.96 0.03 0.00 -0.55 0.00 0.00 41.25 39.79 1x2q s ASN 14 CO 0.06 -0.38 0.38 -0.54 -2.79 0.00 0.00 177.10 173.84 1x2q s LYS 15 N 1.54 2.25 0.42 0.43 -0.14 -1.26 -5.15 119.74 117.83 1x2q s LYS 15 Ca 0.07 -2.03 0.07 0.00 -1.36 0.00 0.00 55.97 52.71 1x2q s LYS 15 Cb -0.18 -2.07 -0.05 0.00 -1.68 0.00 0.00 37.83 33.85 1x2q s LYS 15 CO -0.19 -0.59 0.15 0.14 -0.76 0.00 0.00 175.35 174.10 1x2q s VAL 16 N -2.77 2.20 0.23 3.17 -7.23 -1.26 -5.05 120.40 109.68 1x2q s VAL 16 Ca 0.33 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 1x2q s VAL 16 Cb -0.02 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.97 1x2q s VAL 16 CO 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.99 1x2q n ALA 17 N -1.21 -2.39 -2.56 1.32 0.00 -1.26 -4.64 120.51 109.76 1x2q n ALA 17 Ca -0.02 0.31 -0.43 0.00 0.00 0.00 0.00 53.44 53.30 1x2q n ALA 17 Cb 0.65 -0.84 -0.07 0.00 0.00 0.00 0.00 19.45 19.19 1x2q n ALA 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1x2q s ARG 18 N -1.93 3.18 0.32 0.00 3.52 -1.19 -4.97 118.95 117.87 1x2q s ARG 18 Ca 0.00 -0.61 -0.11 0.00 -0.13 0.00 0.00 55.73 54.87 1x2q s ARG 18 Cb 0.00 -3.99 -0.07 0.00 -1.56 0.00 0.00 34.95 29.32 1x2q s ARG 18 CO 0.00 -1.01 0.68 0.15 -0.81 0.00 0.00 175.30 174.30 1x2q s LYS 19 N 2.57 3.86 -0.04 5.12 1.02 -1.26 0.19 119.74 131.19 1x2q s LYS 19 Ca 0.18 0.45 -0.16 0.00 0.02 0.00 0.00 55.97 56.46 1x2q s LYS 19 Cb -0.16 -2.50 0.03 0.00 -0.52 0.00 0.00 37.83 34.68 1x2q s LYS 19 CO 0.16 0.16 0.35 0.14 -0.92 0.00 0.00 175.35 175.24 1x2q s VAL 20 N -2.05 0.04 -0.24 3.17 -7.23 0.86 -4.30 120.40 110.66 1x2q s VAL 20 Ca 0.51 -0.36 -0.08 0.00 -1.81 0.00 0.00 61.98 60.23 1x2q s VAL 20 Cb -0.11 -0.63 -0.04 0.00 0.56 0.00 0.00 36.38 36.16 1x2q s VAL 20 CO 0.23 -0.20 0.10 -0.60 -0.31 0.00 0.00 175.10 174.33 1x2q s ARG 21 N -1.07 3.84 0.14 4.82 3.52 -0.88 0.92 118.95 130.24 1x2q s ARG 21 Ca -0.11 -0.39 -0.33 0.00 -0.13 0.00 0.00 55.73 54.77 1x2q s ARG 21 Cb -0.04 -3.39 -0.13 0.00 -1.56 0.00 0.00 34.95 29.82 1x2q s ARG 21 CO 0.04 -0.04 1.64 0.00 -0.81 0.00 0.00 175.30 176.13 1x2q n ALA 22 N 4.53 1.58 0.03 6.12 0.00 -0.18 -1.06 120.51 131.54 1x2q n ALA 22 Ca -0.16 0.42 -0.22 0.00 0.00 0.00 0.00 53.44 53.48 1x2q n ALA 22 Cb 0.52 -2.40 -0.14 0.00 0.00 0.00 0.00 19.45 17.42 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 6.47 0.49 -9.28 0.00 3.38 0.10 0.07 115.31 116.55 1x2q h LEU 23 Ca -0.45 -0.95 -0.54 0.00 0.09 0.00 0.00 57.88 56.03 1x2q h LEU 23 Cb 1.25 -0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.70 1x2q h LEU 23 CO 0.91 1.84 -0.67 -0.31 0.09 0.00 0.00 178.44 180.30 1x2q s TYR 24 N -2.57 2.14 -0.41 1.13 2.02 -1.21 -4.71 117.35 113.74 1x2q s TYR 24 Ca -0.20 -0.65 -0.24 0.00 -0.37 0.00 0.00 57.07 55.61 1x2q s TYR 24 Cb 0.06 -1.26 0.02 0.00 -0.40 0.00 0.00 41.96 40.38 1x2q s TYR 24 CO 0.80 0.37 0.84 0.16 -1.57 0.00 0.00 175.55 176.15 1x2q s ASP 25 N -3.52 6.51 0.52 2.29 -4.77 -1.26 -3.49 116.67 112.95 1x2q s ASP 25 Ca 0.31 0.19 0.08 0.00 -3.30 0.00 0.00 52.55 49.83 1x2q s ASP 25 Cb 0.04 -2.42 0.05 0.00 -1.09 0.00 0.00 42.92 39.50 1x2q s ASP 25 CO 0.14 -0.88 0.62 0.12 0.70 0.00 0.00 175.17 175.87 1x2q s PHE 26 N 3.37 1.87 -0.30 2.11 5.36 -0.53 -4.87 117.98 125.00 1x2q s PHE 26 Ca 0.33 -0.66 -0.06 0.00 -0.96 0.00 0.00 56.93 55.58 1x2q s PHE 26 Cb -0.12 -2.18 0.19 0.00 -0.34 0.00 0.00 43.02 40.57 1x2q s PHE 26 CO 0.21 -0.75 0.85 -1.21 -1.46 0.00 0.00 175.22 172.86 1x2q s GLU 27 N -4.46 0.35 0.13 10.12 0.41 -1.26 -3.85 118.70 120.13 1x2q s GLU 27 Ca 0.53 0.52 -0.33 0.00 -0.41 0.00 0.00 54.97 55.29 1x2q s GLU 27 Cb -0.05 0.28 -0.18 0.00 -1.78 0.00 0.00 34.13 32.40 1x2q s GLU 27 CO 0.33 -0.47 0.82 0.00 -0.49 0.00 0.00 175.26 175.45 1x2q n ALA 28 N 5.39 -2.77 -0.04 5.21 0.00 -1.01 -4.87 120.51 122.42 1x2q n ALA 28 Ca -0.00 0.50 -0.04 0.00 0.00 0.00 0.00 53.44 53.89 1x2q n ALA 28 Cb 0.54 -1.74 -0.04 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 0.75 0.44 -1.59 0.00 3.14 -1.26 -4.98 118.33 114.83 1x2q n VAL 29 Ca 0.18 -0.23 -0.07 0.00 -2.96 0.00 0.00 64.34 61.26 1x2q n VAL 29 Cb 0.19 -0.81 0.05 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 -2.46 -0.09 -1.20 1.45 1.02 -1.26 -4.97 120.64 113.14 1x2q n GLU 30 Ca -0.12 -0.59 -0.21 0.00 -0.02 0.00 0.00 57.16 56.22 1x2q n GLU 30 Cb 0.68 -0.29 0.20 0.00 -0.02 0.00 0.00 31.44 32.00 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 -3.14 3.84 -2.68 1.62 8.00 -1.26 -4.32 116.55 118.61 1x2q n ASP 31 Ca 0.04 -3.57 -0.05 0.00 0.71 0.00 0.00 54.79 51.92 1x2q n ASP 31 Cb 0.15 -0.82 0.07 0.00 -0.02 0.00 0.00 41.12 40.50 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 -1.04 -1.46 -4.25 -2.24 5.15 -1.26 -5.16 115.26 105.00 1x2q n ASN 32 Ca 0.57 -2.15 -0.23 0.00 -0.60 0.00 0.00 54.58 52.17 1x2q n ASN 32 Cb 1.63 1.21 -0.09 0.00 -0.53 0.00 0.00 39.78 42.00 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 0.09 1.77 -0.14 1.20 2.02 -1.26 -3.86 118.70 118.53 1x2q s GLU 33 Ca 0.15 -2.04 -0.10 0.00 0.02 0.00 0.00 54.97 53.01 1x2q s GLU 33 Cb 0.23 -0.65 -0.05 0.00 0.10 0.00 0.00 34.13 33.76 1x2q s GLU 33 CO -0.10 -0.36 0.19 -1.17 0.02 0.00 0.00 175.26 173.84 1x2q s LEU 34 N -3.53 4.32 -0.29 1.80 0.20 0.51 -4.06 118.68 117.62 1x2q s LEU 34 Ca 0.30 0.45 -0.01 0.00 0.69 0.00 0.00 54.13 55.56 1x2q s LEU 34 Cb 0.05 -2.18 0.05 0.00 -0.43 0.00 0.00 46.19 43.68 1x2q s LEU 34 CO 0.15 0.28 -0.03 -0.89 -0.29 0.00 0.00 176.35 175.57 1x2q s THR 35 N -0.35 2.80 0.22 3.68 2.01 -1.26 -2.41 115.64 120.32 1x2q s THR 35 Ca 0.14 -1.44 -0.10 0.00 0.31 0.00 0.00 61.69 60.60 1x2q s THR 35 Cb -0.12 -2.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 1x2q s THR 35 CO 0.03 -0.08 0.37 0.72 -0.69 0.00 0.00 174.62 174.97 1x2q s PHE 36 N 1.22 0.48 0.43 4.92 -0.12 -1.25 -4.79 117.98 118.86 1x2q s PHE 36 Ca -0.06 -0.82 0.04 0.00 -0.05 0.00 0.00 56.93 56.04 1x2q s PHE 36 Cb -0.20 0.01 0.04 0.00 -0.63 0.00 0.00 43.02 42.24 1x2q s PHE 36 CO -0.02 -0.86 0.32 1.63 -0.05 0.00 0.00 175.22 176.24 1x2q n LYS 37 N -0.32 0.86 -2.73 1.99 4.01 -1.26 -1.45 118.16 119.26 1x2q n LYS 37 Ca -0.03 -2.67 -0.42 0.00 -0.51 0.00 0.00 58.31 54.68 1x2q n LYS 37 Cb 0.63 0.28 -0.03 0.00 -0.51 0.00 0.00 35.03 35.40 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 -2.12 3.58 0.00 2.13 -3.43 -1.23 -3.64 115.29 110.58 1x2q s HIS 38 Ca 0.24 1.61 0.00 0.00 -0.80 0.00 0.00 55.06 56.11 1x2q s HIS 38 Cb -0.02 -3.13 0.00 0.00 -1.43 0.00 0.00 32.58 28.00 1x2q s HIS 38 CO 0.15 -0.11 0.00 0.41 -2.00 0.00 0.00 174.74 173.20 1x2q n GLY 39 N 3.02 3.15 3.46 -1.38 0.00 0.01 -4.93 105.19 108.52 1x2q n GLY 39 Ca 0.07 -0.89 -0.44 0.00 0.00 0.00 0.00 46.02 44.75 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 0.54 -3.09 1.61 1.02 -1.24 -3.93 120.64 115.55 1x2q n GLU 40 Ca 0.00 0.19 -0.34 0.00 -0.02 0.00 0.00 57.16 57.00 1x2q n GLU 40 Cb 0.00 -1.40 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 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 -1.26 4.61 -0.04 -3.67 -1.09 -1.26 -1.01 121.20 117.48 1x2q s ILE 41 Ca 0.62 1.12 -0.00 0.00 -2.23 0.00 0.00 60.65 60.15 1x2q s ILE 41 Cb -0.72 -3.69 0.03 0.00 -1.58 0.00 0.00 42.46 36.49 1x2q s ILE 41 CO 0.58 -0.07 0.01 -0.63 -1.23 0.00 0.00 174.94 173.60 1x2q s ILE 42 N -1.85 0.21 -0.49 2.92 1.09 0.26 -4.50 121.20 118.85 1x2q s ILE 42 Ca 0.51 0.14 -0.22 0.00 -1.10 0.00 0.00 60.65 59.98 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 0.18 0.19 0.77 -0.63 -0.10 0.00 0.00 174.94 175.35 1x2q s ILE 43 N 1.48 4.65 -0.04 2.92 1.09 0.50 -0.10 121.20 131.71 1x2q s ILE 43 Ca -0.03 0.15 -0.30 0.00 -1.10 0.00 0.00 60.65 59.36 1x2q s ILE 43 Cb -0.13 -4.36 -0.04 0.00 -1.06 0.00 0.00 42.46 36.87 1x2q s ILE 43 CO -0.03 -0.82 1.25 -0.69 -0.10 0.00 0.00 174.94 174.55 1x2q s VAL 44 N 3.26 4.11 -0.20 2.92 1.01 0.49 0.14 120.40 132.13 1x2q s VAL 44 Ca 0.26 1.45 -0.05 0.00 0.00 0.00 0.00 61.98 63.64 1x2q s VAL 44 Cb -0.14 -3.93 -0.20 0.00 0.00 0.00 0.00 36.38 32.10 1x2q s VAL 44 CO 0.19 0.00 0.02 0.18 0.00 0.00 0.00 175.10 175.49 1x2q n LEU 45 N 5.21 2.65 -3.88 3.92 4.77 0.42 -3.20 117.00 126.89 1x2q n LEU 45 Ca 0.11 0.09 -0.17 0.00 -0.03 0.00 0.00 56.01 56.02 1x2q n LEU 45 Cb 0.46 -0.99 -0.16 0.00 -2.33 0.00 0.00 43.42 40.40 1x2q n LEU 45 CO 0.56 0.81 -0.39 -1.81 -1.33 0.00 0.00 177.39 175.24 1x2q s ASP 46 N -6.85 0.56 -0.09 -1.43 1.11 -0.45 -5.00 116.67 104.52 1x2q s ASP 46 Ca -0.30 -0.07 0.19 0.00 0.18 0.00 0.00 52.55 52.55 1x2q s ASP 46 Cb 0.08 -0.21 0.42 0.00 1.07 0.00 0.00 42.92 44.28 1x2q s ASP 46 CO 0.65 -0.03 1.19 -0.90 1.18 0.00 0.00 175.17 177.26 1x2q n ASP 47 N 3.68 1.32 -0.08 0.27 5.75 -1.26 -1.53 116.55 124.70 1x2q n ASP 47 Ca -0.22 -2.86 -0.07 0.00 -0.01 0.00 0.00 54.79 51.64 1x2q n ASP 47 Cb 0.53 -0.40 -0.00 0.00 -1.03 0.00 0.00 41.12 40.22 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 0.97 -0.16 -1.92 -1.12 0.02 -1.95 -3.42 113.55 105.97 1x2q h SER 48 Ca -0.12 0.07 -0.44 0.00 -0.84 0.00 0.00 61.79 60.46 1x2q h SER 48 Cb 1.48 0.13 0.01 0.00 0.14 0.00 0.00 62.40 64.17 1x2q h SER 48 CO 0.05 -0.04 -0.30 -1.81 -1.14 0.00 0.00 176.83 173.59 1x2q s ASP 49 N -5.24 5.94 -0.20 3.07 1.01 -1.26 -5.04 116.67 114.95 1x2q s ASP 49 Ca -0.13 -0.13 0.04 0.00 0.71 0.00 0.00 52.55 53.04 1x2q s ASP 49 Cb 0.12 -1.25 -0.15 0.00 1.01 0.00 0.00 42.92 42.65 1x2q s ASP 49 CO 0.70 -0.48 -0.14 0.00 0.21 0.00 0.00 175.17 175.45 1x2q n ALA 50 N -1.71 1.56 -0.00 5.23 0.00 -1.26 -4.54 120.51 119.78 1x2q n ALA 50 Ca 0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 53.44 52.42 1x2q n ALA 50 Cb 0.58 -0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.91 -4.06 0.00 2.35 -1.96 -3.31 115.58 107.69 1x2q h ASN 51 Ca -0.46 0.14 -0.69 0.00 -0.55 0.00 0.00 56.30 54.74 1x2q h ASN 51 Cb 1.77 0.39 -0.24 0.00 0.05 0.00 0.00 38.32 40.30 1x2q h ASN 51 CO -0.05 -0.33 -0.87 0.26 -1.65 0.00 0.00 177.43 174.78 1x2q s TRP 52 N -6.03 2.32 -0.04 1.19 0.52 -1.26 -4.27 118.94 111.38 1x2q s TRP 52 Ca -0.15 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.60 1x2q s TRP 52 Cb 0.11 -1.31 0.01 0.00 -1.15 0.00 0.00 33.47 31.13 1x2q s TRP 52 CO 0.66 0.26 -0.08 -1.58 0.02 0.00 0.00 176.95 176.24 1x2q s TRP 53 N -0.96 0.91 -0.36 -1.98 0.52 0.41 -4.33 118.94 113.13 1x2q s TRP 53 Ca 0.13 -0.25 -0.18 0.00 0.02 0.00 0.00 56.10 55.82 1x2q s TRP 53 Cb -0.10 -0.69 0.00 0.00 -1.15 0.00 0.00 33.47 31.53 1x2q s TRP 53 CO 0.05 -0.15 0.49 0.21 0.02 0.00 0.00 176.95 177.57 1x2q s LYS 54 N 0.48 3.53 0.29 4.98 2.20 -0.58 -2.02 119.74 128.62 1x2q s LYS 54 Ca -0.07 -0.28 0.03 0.00 -0.36 0.00 0.00 55.97 55.28 1x2q s LYS 54 Cb -0.11 -3.84 -0.03 0.00 -1.51 0.00 0.00 37.83 32.34 1x2q s LYS 54 CO 0.01 -0.68 0.27 0.20 -0.36 0.00 0.00 175.35 174.79 1x2q s GLY 55 N 1.78 1.87 0.06 5.54 0.00 -1.22 0.16 107.32 115.52 1x2q s GLY 55 Ca 0.17 -1.84 0.03 0.00 0.00 0.00 0.00 44.72 43.09 1x2q s GLY 55 CO 0.14 -1.35 -0.10 1.85 0.00 0.00 0.00 173.10 173.64 1x2q s GLU 56 N -3.63 0.68 0.23 2.90 2.12 0.38 -2.93 118.70 118.45 1x2q s GLU 56 Ca 0.38 -0.91 -0.10 0.00 0.36 0.00 0.00 54.97 54.71 1x2q s GLU 56 Cb 0.03 -0.48 -0.01 0.00 0.26 0.00 0.00 34.13 33.93 1x2q s GLU 56 CO 0.21 0.09 0.38 0.54 -0.54 0.00 0.00 175.26 175.94 1x2q s ASN 57 N -1.84 -0.03 0.23 -1.70 2.20 0.87 0.19 114.94 114.86 1x2q s ASN 57 Ca -0.04 -1.02 -0.14 0.00 -0.94 0.00 0.00 52.86 50.72 1x2q s ASN 57 Cb -0.08 0.52 0.28 0.00 -2.00 0.00 0.00 41.25 39.98 1x2q s ASN 57 CO 0.01 -1.05 1.46 1.57 -2.94 0.00 0.00 177.10 176.15 1x2q n HIS 58 N -0.34 0.12 -0.06 1.54 -0.00 -1.26 0.87 115.22 116.09 1x2q n HIS 58 Ca -0.02 1.15 -0.08 0.00 -0.00 0.00 0.00 57.72 58.78 1x2q n HIS 58 Cb 0.63 -0.91 -0.01 0.00 -0.00 0.00 0.00 29.99 29.70 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 -0.22 0.00 1.57 3.08 -1.95 -3.48 114.38 113.38 1x2q h ARG 59 Ca 0.36 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1x2q h ARG 59 Cb 0.60 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1x2q h ARG 59 CO -0.94 -0.15 0.00 0.41 -1.07 0.00 0.00 179.97 178.22 1x2q n GLY 60 N -1.37 -0.49 3.95 0.04 0.00 0.25 -5.12 105.19 102.45 1x2q n GLY 60 Ca -0.01 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.26 3.94 0.00 -0.61 1.09 -1.26 -0.09 121.20 121.00 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 -3.35 0.00 0.00 -1.06 0.00 0.00 42.46 38.05 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 1.96 3.86 6.18 0.00 -1.15 -4.65 105.19 109.83 1x2q n GLY 62 Ca -0.01 -1.00 -0.32 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 4.11 0.04 0.99 2.01 -1.25 -3.43 118.68 121.15 1x2q s LEU 63 Ca 0.00 1.07 -0.28 0.00 0.01 0.00 0.00 54.13 54.93 1x2q s LEU 63 Cb 0.00 -3.85 0.09 0.00 0.01 0.00 0.00 46.19 42.44 1x2q s LEU 63 CO 0.00 -0.14 0.96 0.72 1.01 0.00 0.00 176.35 178.90 1x2q s PHE 64 N -1.90 -0.23 0.21 0.29 -0.71 -0.86 0.19 117.98 114.97 1x2q s PHE 64 Ca 0.50 0.04 -0.30 0.00 -1.04 0.00 0.00 56.93 56.13 1x2q s PHE 64 Cb -0.11 0.58 -0.08 0.00 -1.21 0.00 0.00 43.02 42.20 1x2q s PHE 64 CO 0.20 -0.61 1.11 -1.25 -1.34 0.00 0.00 175.22 173.33 1x2q s PRO 65 N -3.09 4.60 0.00 1.99 0.04 -1.26 0.15 135.00 137.43 1x2q s PRO 65 Ca 0.09 1.75 0.23 0.00 0.04 0.00 0.00 61.00 63.11 1x2q s PRO 65 Cb -0.01 -3.25 1.04 0.00 0.04 0.00 0.00 34.50 32.33 1x2q s PRO 65 CO -0.04 0.11 1.75 -1.13 0.04 0.00 0.00 177.00 177.73 1x2q n SER 66 N 2.01 0.00 -0.83 6.66 3.41 -1.25 -2.35 113.62 121.27 1x2q n SER 66 Ca 0.02 0.34 0.04 0.00 -0.26 0.00 0.00 58.87 59.01 1x2q n SER 66 Cb 0.46 -0.44 0.16 0.00 -0.26 0.00 0.00 64.21 64.13 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 -1.44 2.36 -0.18 4.04 3.02 -1.26 -3.30 115.26 118.49 1x2q n ASN 67 Ca 0.07 -2.18 0.02 0.00 -0.03 0.00 0.00 54.58 52.47 1x2q n ASN 67 Cb 0.25 -0.37 0.03 0.00 -0.61 0.00 0.00 39.78 39.07 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 0.40 0.07 -4.40 3.10 3.01 -0.99 -4.90 117.46 113.75 1x2q n PHE 68 Ca 0.12 -0.22 -0.21 0.00 1.01 0.00 0.00 57.45 58.14 1x2q n PHE 68 Cb 0.45 -0.02 -0.09 0.00 -0.01 0.00 0.00 39.48 39.81 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 -0.62 0.51 -0.02 -4.37 -7.23 -1.21 0.14 120.40 107.60 1x2q s VAL 69 Ca 0.06 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.24 1x2q s VAL 69 Cb 0.04 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.49 1x2q s VAL 69 CO 0.05 0.00 -0.03 0.28 -0.31 0.00 0.00 175.10 175.09 1x2q s THR 70 N -3.44 0.35 -0.76 5.32 -1.32 -0.22 -4.71 115.64 110.86 1x2q s THR 70 Ca 0.32 -0.09 -0.07 0.00 -1.21 0.00 0.00 61.69 60.64 1x2q s THR 70 Cb 0.05 -0.36 -0.06 0.00 -1.51 0.00 0.00 72.50 70.62 1x2q s THR 70 CO 0.17 0.14 1.93 0.35 -2.21 0.00 0.00 174.62 175.00 1x2q n THR 71 N 3.58 2.00 0.00 5.08 -2.24 -1.26 -2.08 114.28 119.36 1x2q n THR 71 Ca -0.20 -1.24 0.00 0.00 -2.27 0.00 0.00 64.05 60.33 1x2q n THR 71 Cb 0.54 -2.06 0.00 0.00 -2.10 0.00 0.00 70.33 66.71 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 4.69 0.00 -2.98 3.42 5.15 -1.26 -5.03 115.26 119.25 1x2q n ASN 72 Ca 0.39 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 54.04 1x2q n ASN 72 Cb 0.14 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.35 1x2q n ASN 72 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1x2q n LEU 73 N 0.00 7.30 -3.65 1.20 4.77 -1.26 -3.87 117.00 121.49 1x2q n LEU 73 Ca 0.00 -4.40 -0.01 0.00 -0.03 0.00 0.00 56.01 51.58 1x2q n LEU 73 Cb 0.00 -1.34 -0.07 0.00 -2.33 0.00 0.00 43.42 39.69 1x2q n LEU 73 CO 0.00 1.91 1.07 0.21 -1.33 0.00 0.00 177.39 179.26 1x2q s ASN 74 N 0.67 -0.08 0.61 -1.43 2.47 -1.26 -5.04 114.94 110.88 1x2q s ASN 74 Ca 0.58 0.14 0.00 0.00 0.42 0.00 0.00 52.86 54.00 1x2q s ASN 74 Cb 0.27 0.55 0.00 0.00 -1.45 0.00 0.00 41.25 40.62 1x2q s ASN 74 CO -0.13 -0.02 0.00 -0.38 -3.72 0.00 0.00 177.10 172.85 1x2q n ILE 75 N 2.30 -1.99 0.07 -5.21 5.41 -1.26 -4.70 119.36 113.98 1x2q n ILE 75 Ca -0.14 1.23 -0.13 0.00 1.00 0.00 0.00 62.75 64.71 1x2q n ILE 75 Cb 0.57 -1.97 -0.09 0.00 -0.71 0.00 0.00 39.64 37.44 1x2q n ILE 75 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1x2q h GLU 76 N -0.59 -0.18 -1.13 0.38 4.81 -1.99 -3.48 114.58 112.40 1x2q h GLU 76 Ca -0.10 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.34 1x2q h GLU 76 Cb 1.17 0.04 -0.30 0.00 0.63 0.00 0.00 28.75 30.30 1x2q h GLU 76 CO 0.04 0.17 0.87 -0.08 -0.73 0.00 0.00 179.01 179.27 1x2q s THR 77 N -4.61 0.00 0.13 0.32 -1.32 -1.26 -4.85 115.64 104.04 1x2q s THR 77 Ca -0.15 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.13 1x2q s THR 77 Cb 0.02 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.07 1x2q s THR 77 CO 0.60 0.00 0.51 -0.70 -2.21 0.00 0.00 174.62 172.83 1x2q s GLU 78 N -0.49 1.16 -0.48 7.08 2.12 -1.26 -5.11 118.70 121.72 1x2q s GLU 78 Ca 0.07 -0.52 0.05 0.00 0.36 0.00 0.00 54.97 54.94 1x2q s GLU 78 Cb -0.03 0.52 0.23 0.00 0.26 0.00 0.00 34.13 35.12 1x2q s GLU 78 CO -0.11 -0.47 0.89 0.00 -0.54 0.00 0.00 175.26 175.03 1x2q n ALA 79 N -0.19 -1.74 -2.32 6.30 0.00 -1.26 -5.15 120.51 116.16 1x2q n ALA 79 Ca -0.17 -1.21 -0.19 0.00 0.00 0.00 0.00 53.44 51.87 1x2q n ALA 79 Cb 0.64 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 0.69 4.21 -0.15 0.00 0.00 -1.26 -5.12 121.76 120.13 1x2q s ALA 80 Ca 0.31 -1.44 -0.10 0.00 0.00 0.00 0.00 51.96 50.73 1x2q s ALA 80 Cb 0.18 -1.76 0.05 0.00 0.00 0.00 0.00 23.12 21.59 1x2q s ALA 80 CO -0.19 -0.18 0.37 0.00 0.00 0.00 0.00 175.76 175.75 1x2q s ALA 81 N -2.31 -0.91 0.30 0.00 0.00 -1.26 -5.16 121.76 112.42 1x2q s ALA 81 Ca 0.48 1.26 -0.12 0.00 0.00 0.00 0.00 51.96 53.59 1x2q s ALA 81 Cb -0.10 -0.76 -0.08 0.00 0.00 0.00 0.00 23.12 22.18 1x2q s ALA 81 CO 0.33 -0.22 0.66 0.08 0.00 0.00 0.00 175.76 176.61 1x2q s VAL 82 N 0.95 4.80 -0.19 0.00 1.01 -1.26 -5.02 120.40 120.69 1x2q s VAL 82 Ca -0.06 0.69 -0.15 0.00 0.00 0.00 0.00 61.98 62.46 1x2q s VAL 82 Cb -0.07 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 1x2q s VAL 82 CO -0.07 -0.19 -0.24 -0.24 0.00 0.00 0.00 175.10 174.35 1x2q n SER 83 N -0.42 1.90 0.00 3.32 2.88 -1.26 -5.12 113.62 114.91 1x2q n SER 83 Ca 0.02 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1x2q n SER 83 Cb 0.53 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 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 1.47 3.86 3.82 0.46 0.00 -1.26 -5.15 105.19 108.39 1x2q n GLY 84 Ca -0.20 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.61 3.13 0.22 1.61 0.04 -1.26 -5.08 135.00 131.05 1x2q s PRO 85 Ca 0.00 1.04 0.06 0.00 0.04 0.00 0.00 61.00 62.14 1x2q s PRO 85 Cb 0.00 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1x2q s PRO 85 CO 0.00 -0.95 -0.08 -1.54 0.04 0.00 0.00 177.00 174.47 1x2q s SER 86 N -3.41 2.30 0.61 6.66 1.04 -1.26 -5.08 113.70 114.56 1x2q s SER 86 Ca 0.60 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1x2q s SER 86 Cb -0.14 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1x2q s SER 86 CO 0.47 -0.33 0.00 -1.20 0.98 0.00 0.00 173.24 173.17 1x2q n SER 87 N -0.41 -8.16 0.00 7.02 7.64 -1.26 -5.34 113.62 113.11 1x2q n SER 87 Ca -0.07 1.40 0.00 0.00 1.01 0.00 0.00 58.87 61.21 1x2q n SER 87 Cb 0.62 -5.00 0.00 0.00 -1.01 0.00 0.00 64.21 58.82 1x2q n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64