#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 -0.12 0.40 1.61 0.15 -1.26 -5.16 113.70 109.33 1x2q s SER 2 Ca 0.00 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1x2q s SER 2 Cb 0.00 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 1x2q s SER 2 CO 0.00 -0.41 0.00 -0.24 1.20 0.00 0.00 173.24 173.79 1x2q n SER 3 N -0.38 -5.42 -0.12 5.45 2.88 -1.26 -5.08 113.62 109.70 1x2q n SER 3 Ca -0.06 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 1x2q n SER 3 Cb 0.61 -3.32 0.00 0.00 -0.75 0.00 0.00 64.21 60.76 1x2q n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x2q n GLY 4 N -3.62 4.08 3.62 0.46 0.00 -1.26 -5.19 105.19 103.29 1x2q n GLY 4 Ca -0.06 -1.15 -0.04 0.00 0.00 0.00 0.00 46.02 44.77 1x2q n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x2q s SER 5 N 1.16 -0.12 -0.14 1.61 1.04 -1.26 -5.19 113.70 110.79 1x2q s SER 5 Ca 0.00 0.12 -0.34 0.00 0.48 0.00 0.00 55.95 56.21 1x2q s SER 5 Cb 0.00 0.10 0.14 0.00 0.10 0.00 0.00 66.02 66.36 1x2q s SER 5 CO 0.00 -0.12 1.33 -0.94 0.98 0.00 0.00 173.24 174.48 1x2q s SER 6 N -1.16 -0.05 0.00 7.02 1.04 -1.26 -5.19 113.70 114.11 1x2q s SER 6 Ca 0.06 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1x2q s SER 6 Cb -0.01 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1x2q s SER 6 CO -0.05 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1x2q n GLY 7 N -0.27 0.87 2.03 7.32 0.00 -1.26 -5.14 105.19 108.73 1x2q n GLY 7 Ca -0.03 -1.89 -0.00 0.00 0.00 0.00 0.00 46.02 44.10 1x2q n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x2q n SER 8 N 3.00 -7.55 -4.21 1.61 7.64 -1.26 -4.91 113.62 107.95 1x2q n SER 8 Ca 0.00 1.41 -0.40 0.00 1.01 0.00 0.00 58.87 60.88 1x2q n SER 8 Cb 0.00 -4.21 -0.04 0.00 -1.01 0.00 0.00 64.21 58.95 1x2q n SER 8 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1x2q s GLU 9 N -0.95 3.51 0.10 1.43 2.12 -1.26 -5.04 118.70 118.61 1x2q s GLU 9 Ca -0.01 -3.05 0.06 0.00 0.36 0.00 0.00 54.97 52.34 1x2q s GLU 9 Cb 0.00 -4.17 -0.04 0.00 0.26 0.00 0.00 34.13 30.18 1x2q s GLU 9 CO 0.02 -1.25 -0.05 0.96 -0.54 0.00 0.00 175.26 174.40 1x2q s ILE 10 N -0.94 3.68 0.51 -3.70 -4.36 -1.26 -5.08 121.20 110.05 1x2q s ILE 10 Ca 0.26 -1.16 -0.19 0.00 -0.26 0.00 0.00 60.65 59.31 1x2q s ILE 10 Cb -0.10 -2.75 -0.13 0.00 1.25 0.00 0.00 42.46 40.73 1x2q s ILE 10 CO -0.09 0.10 0.17 0.00 0.24 0.00 0.00 174.94 175.36 1x2q n GLN 11 N 0.58 0.22 -0.06 0.37 3.00 -1.26 -4.95 117.38 115.29 1x2q n GLN 11 Ca -0.12 0.09 -0.06 0.00 -0.01 0.00 0.00 57.00 56.90 1x2q n GLN 11 Cb 0.52 -1.29 -0.02 0.00 0.00 0.00 0.00 30.24 29.46 1x2q n GLN 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1x2q n LEU 12 N 1.69 1.31 -4.26 1.08 7.94 -1.26 -4.86 117.00 118.64 1x2q n LEU 12 Ca 0.10 0.22 -0.44 0.00 -1.11 0.00 0.00 56.01 54.78 1x2q n LEU 12 Cb 0.46 -0.64 -0.06 0.00 0.53 0.00 0.00 43.42 43.71 1x2q n LEU 12 CO 0.53 -0.36 0.11 0.20 -1.11 0.00 0.00 177.39 176.75 1x2q s ASN 13 N -5.36 6.03 0.22 1.96 0.01 -1.26 -4.58 114.94 111.96 1x2q s ASN 13 Ca -0.19 -2.01 0.00 0.00 -0.71 0.00 0.00 52.86 49.96 1x2q s ASN 13 Cb 0.03 -2.11 0.00 0.00 0.41 0.00 0.00 41.25 39.57 1x2q s ASN 13 CO 0.28 -0.73 0.00 -3.20 -1.51 0.00 0.00 177.10 171.93 1x2q n ASN 14 N 4.87 -1.99 -3.53 -1.22 5.15 -1.26 -5.09 115.26 112.19 1x2q n ASN 14 Ca -0.07 0.48 -0.23 0.00 -0.60 0.00 0.00 54.58 54.16 1x2q n ASN 14 Cb 0.41 2.07 -0.14 0.00 -0.53 0.00 0.00 39.78 41.58 1x2q n ASN 14 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1x2q s LYS 15 N -2.00 0.16 -0.25 1.20 1.02 -1.26 -5.12 119.74 113.49 1x2q s LYS 15 Ca 0.00 -0.09 -0.13 0.00 0.02 0.00 0.00 55.97 55.78 1x2q s LYS 15 Cb 0.00 -1.34 -0.05 0.00 -0.52 0.00 0.00 37.83 35.93 1x2q s LYS 15 CO 0.00 -0.78 0.26 0.14 -0.92 0.00 0.00 175.35 174.04 1x2q s VAL 16 N 2.22 5.28 0.21 3.17 -7.23 -1.26 -5.05 120.40 117.74 1x2q s VAL 16 Ca 0.06 0.36 0.12 0.00 -1.81 0.00 0.00 61.98 60.71 1x2q s VAL 16 Cb -0.16 -3.59 -0.05 0.00 0.56 0.00 0.00 36.38 33.15 1x2q s VAL 16 CO -0.19 0.27 -0.23 0.00 -0.31 0.00 0.00 175.10 174.64 1x2q s ALA 17 N 1.47 2.58 -0.73 1.32 0.00 -1.26 -5.07 121.76 120.06 1x2q s ALA 17 Ca 0.11 -1.69 -0.26 0.00 0.00 0.00 0.00 51.96 50.12 1x2q s ALA 17 Cb -0.15 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.67 1x2q s ALA 17 CO 0.08 0.40 1.49 0.50 0.00 0.00 0.00 175.76 178.23 1x2q s ARG 18 N -2.84 3.03 0.41 0.00 3.52 -1.24 -4.94 118.95 116.90 1x2q s ARG 18 Ca 0.23 -0.07 -0.07 0.00 -0.13 0.00 0.00 55.73 55.69 1x2q s ARG 18 Cb -0.07 -4.37 -0.05 0.00 -1.56 0.00 0.00 34.95 28.89 1x2q s ARG 18 CO 0.11 -2.37 0.73 0.15 -0.81 0.00 0.00 175.30 173.10 1x2q s LYS 19 N 6.10 3.64 -0.09 5.12 1.02 -1.26 0.19 119.74 134.47 1x2q s LYS 19 Ca 0.47 0.25 -0.19 0.00 0.02 0.00 0.00 55.97 56.51 1x2q s LYS 19 Cb -0.09 -2.44 0.04 0.00 -0.52 0.00 0.00 37.83 34.83 1x2q s LYS 19 CO 0.14 -0.06 0.46 0.14 -0.92 0.00 0.00 175.35 175.12 1x2q s VAL 20 N -2.47 0.02 -0.24 3.17 -7.23 0.14 -4.61 120.40 109.17 1x2q s VAL 20 Ca 0.48 -0.18 -0.08 0.00 -1.81 0.00 0.00 61.98 60.38 1x2q s VAL 20 Cb -0.10 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 36.07 1x2q s VAL 20 CO 0.37 -0.10 0.10 -0.60 -0.31 0.00 0.00 175.10 174.56 1x2q s ARG 21 N -0.71 3.84 0.15 4.82 3.52 -0.96 0.89 118.95 130.51 1x2q s ARG 21 Ca -0.08 -0.39 -0.32 0.00 -0.13 0.00 0.00 55.73 54.81 1x2q s ARG 21 Cb -0.03 -3.39 -0.12 0.00 -1.56 0.00 0.00 34.95 29.84 1x2q s ARG 21 CO 0.04 -0.05 1.74 0.00 -0.81 0.00 0.00 175.30 176.22 1x2q n ALA 22 N 4.55 2.19 -0.00 6.12 0.00 0.11 -0.99 120.51 132.49 1x2q n ALA 22 Ca -0.16 0.38 -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 17.33 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 7.28 0.36 -9.48 0.00 3.38 0.15 0.67 115.31 117.67 1x2q h LEU 23 Ca -0.45 -0.85 -0.61 0.00 0.09 0.00 0.00 57.88 56.06 1x2q h LEU 23 Cb 1.22 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.72 1x2q h LEU 23 CO 0.94 1.72 -0.65 -0.31 0.09 0.00 0.00 178.44 180.23 1x2q s TYR 24 N -2.50 2.40 -0.41 1.13 2.02 -1.19 -4.60 117.35 114.20 1x2q s TYR 24 Ca -0.22 -0.58 -0.24 0.00 -0.37 0.00 0.00 57.07 55.66 1x2q s TYR 24 Cb 0.06 -1.49 0.02 0.00 -0.40 0.00 0.00 41.96 40.14 1x2q s TYR 24 CO 0.75 0.51 0.85 0.16 -1.57 0.00 0.00 175.55 176.25 1x2q s ASP 25 N -3.63 6.54 0.55 2.29 1.47 -1.26 -2.91 116.67 119.71 1x2q s ASP 25 Ca 0.33 0.25 0.09 0.00 1.18 0.00 0.00 52.55 54.40 1x2q s ASP 25 Cb 0.05 -2.42 0.07 0.00 -0.34 0.00 0.00 42.92 40.28 1x2q s ASP 25 CO 0.17 -0.88 0.72 0.12 0.68 0.00 0.00 175.17 175.98 1x2q s PHE 26 N 3.39 1.64 -0.30 2.11 5.36 -0.18 -4.86 117.98 125.14 1x2q s PHE 26 Ca 0.34 -0.69 -0.08 0.00 -0.96 0.00 0.00 56.93 55.54 1x2q s PHE 26 Cb -0.12 -2.20 0.19 0.00 -0.34 0.00 0.00 43.02 40.54 1x2q s PHE 26 CO 0.21 -0.97 0.96 -2.00 -1.46 0.00 0.00 175.22 171.96 1x2q s GLU 27 N -4.58 0.23 0.08 10.12 2.12 -1.26 -3.91 118.70 121.51 1x2q s GLU 27 Ca 0.58 0.27 -0.33 0.00 0.36 0.00 0.00 54.97 55.84 1x2q s GLU 27 Cb -0.06 0.13 -0.18 0.00 0.26 0.00 0.00 34.13 34.28 1x2q s GLU 27 CO 0.36 -0.39 0.80 0.00 -0.54 0.00 0.00 175.26 175.49 1x2q n ALA 28 N 5.24 -3.20 -0.05 6.30 0.00 -0.99 -4.86 120.51 122.94 1x2q n ALA 28 Ca 0.05 0.51 -0.06 0.00 0.00 0.00 0.00 53.44 53.94 1x2q n ALA 28 Cb 0.56 -1.61 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 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 0.84 0.65 -1.74 0.00 3.14 -1.26 -4.99 118.33 114.96 1x2q n VAL 29 Ca 0.18 -0.34 -0.07 0.00 -2.96 0.00 0.00 64.34 61.15 1x2q n VAL 29 Cb 0.14 -0.82 0.04 0.00 -1.06 0.00 0.00 33.84 32.15 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 -2.53 -0.00 -1.26 1.45 1.02 -1.26 -4.97 120.64 113.09 1x2q n GLU 30 Ca -0.17 -0.64 -0.28 0.00 -0.02 0.00 0.00 57.16 56.05 1x2q n GLU 30 Cb 0.77 -0.28 0.13 0.00 -0.02 0.00 0.00 31.44 32.04 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 -3.12 5.48 -2.67 1.62 8.00 -1.26 -4.29 116.55 120.32 1x2q n ASP 31 Ca 0.04 -3.67 -0.04 0.00 0.71 0.00 0.00 54.79 51.84 1x2q n ASP 31 Cb 0.16 -0.90 0.05 0.00 -0.02 0.00 0.00 41.12 40.41 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 -1.02 -1.28 -4.33 -2.24 5.15 -1.26 -5.15 115.26 105.13 1x2q n ASN 32 Ca 0.60 -1.89 -0.23 0.00 -0.60 0.00 0.00 54.58 52.46 1x2q n ASN 32 Cb 1.22 1.11 -0.09 0.00 -0.53 0.00 0.00 39.78 41.49 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 0.06 1.77 -0.14 1.20 2.02 -1.26 -3.59 118.70 118.75 1x2q s GLU 33 Ca 0.13 -2.03 -0.09 0.00 0.02 0.00 0.00 54.97 52.99 1x2q s GLU 33 Cb 0.19 -0.76 -0.05 0.00 0.10 0.00 0.00 34.13 33.62 1x2q s GLU 33 CO -0.10 -0.31 0.18 -1.17 0.02 0.00 0.00 175.26 173.88 1x2q s LEU 34 N -3.54 4.33 -0.28 1.80 0.20 0.53 -3.87 118.68 117.85 1x2q s LEU 34 Ca 0.30 0.45 -0.05 0.00 0.69 0.00 0.00 54.13 55.53 1x2q s LEU 34 Cb 0.06 -2.16 0.02 0.00 -0.43 0.00 0.00 46.19 43.68 1x2q s LEU 34 CO 0.14 0.30 0.03 -0.89 -0.29 0.00 0.00 176.35 175.64 1x2q s THR 35 N -0.46 3.54 0.29 3.68 2.01 -1.26 -2.34 115.64 121.10 1x2q s THR 35 Ca 0.14 -0.86 -0.19 0.00 0.31 0.00 0.00 61.69 61.09 1x2q s THR 35 Cb -0.12 -2.84 0.02 0.00 0.01 0.00 0.00 72.50 69.57 1x2q s THR 35 CO 0.03 0.10 0.70 0.72 -0.69 0.00 0.00 174.62 175.48 1x2q s PHE 36 N 1.42 -0.06 0.33 4.92 -0.12 -1.25 -4.76 117.98 118.46 1x2q s PHE 36 Ca 0.01 -0.42 0.00 0.00 -0.05 0.00 0.00 56.93 56.48 1x2q s PHE 36 Cb -0.17 0.65 0.00 0.00 -0.63 0.00 0.00 43.02 42.87 1x2q s PHE 36 CO -0.00 -1.25 0.01 1.63 -0.05 0.00 0.00 175.22 175.55 1x2q n LYS 37 N -0.46 1.20 -2.53 1.99 5.02 -1.26 -1.01 118.16 121.10 1x2q n LYS 37 Ca -0.04 -2.38 -0.37 0.00 -2.02 0.00 0.00 58.31 53.50 1x2q n LYS 37 Cb 0.60 0.62 -0.04 0.00 -0.02 0.00 0.00 35.03 36.19 1x2q n LYS 37 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1x2q s HIS 38 N -2.16 3.28 0.00 2.13 -3.43 -1.15 -3.45 115.29 110.50 1x2q s HIS 38 Ca 0.01 1.64 0.00 0.00 -0.80 0.00 0.00 55.06 55.91 1x2q s HIS 38 Cb -0.00 -3.14 0.00 0.00 -1.43 0.00 0.00 32.58 28.01 1x2q s HIS 38 CO 0.00 -0.64 0.00 0.41 -2.00 0.00 0.00 174.74 172.51 1x2q n GLY 39 N 0.39 2.15 3.54 -1.38 0.00 0.23 -4.93 105.19 105.18 1x2q n GLY 39 Ca 0.05 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 1.01 -3.38 1.61 1.02 -1.22 -4.11 120.64 115.56 1x2q n GLU 40 Ca 0.00 0.36 -0.34 0.00 -0.02 0.00 0.00 57.16 57.16 1x2q n GLU 40 Cb 0.00 -1.72 -0.06 0.00 -0.02 0.00 0.00 31.44 29.64 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 -1.22 4.89 -0.03 -3.67 -1.09 -1.26 0.08 121.20 118.89 1x2q s ILE 41 Ca 0.61 0.70 0.01 0.00 -2.23 0.00 0.00 60.65 59.74 1x2q s ILE 41 Cb -0.66 -3.69 0.02 0.00 -1.58 0.00 0.00 42.46 36.55 1x2q s ILE 41 CO 0.58 0.14 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.78 1x2q s ILE 42 N -1.58 0.29 -0.45 2.92 1.09 0.26 -4.53 121.20 119.19 1x2q s ILE 42 Ca 0.41 -0.01 -0.20 0.00 -1.10 0.00 0.00 60.65 59.76 1x2q s ILE 42 Cb -0.14 -0.34 0.03 0.00 -1.06 0.00 0.00 42.46 40.95 1x2q s ILE 42 CO 0.20 0.15 0.59 -0.63 -0.10 0.00 0.00 174.94 175.15 1x2q s ILE 43 N 0.81 4.89 -0.03 2.92 1.09 0.50 0.23 121.20 131.61 1x2q s ILE 43 Ca -0.09 -0.12 -0.30 0.00 -1.10 0.00 0.00 60.65 59.05 1x2q s ILE 43 Cb -0.12 -4.19 -0.03 0.00 -1.06 0.00 0.00 42.46 37.06 1x2q s ILE 43 CO -0.01 -0.60 1.15 -0.69 -0.10 0.00 0.00 174.94 174.69 1x2q s VAL 44 N 2.63 4.35 -0.23 2.92 1.01 0.49 0.16 120.40 131.74 1x2q s VAL 44 Ca 0.19 1.67 0.04 0.00 0.00 0.00 0.00 61.98 63.88 1x2q s VAL 44 Cb -0.16 -4.07 -0.20 0.00 0.00 0.00 0.00 36.38 31.95 1x2q s VAL 44 CO 0.16 0.04 -0.08 0.18 0.00 0.00 0.00 175.10 175.41 1x2q n LEU 45 N 4.79 2.35 -3.87 3.92 4.77 0.25 -3.63 117.00 125.57 1x2q n LEU 45 Ca 0.10 -0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.87 1x2q n LEU 45 Cb 0.47 -0.65 -0.15 0.00 -2.33 0.00 0.00 43.42 40.76 1x2q n LEU 45 CO 0.54 0.83 -0.38 -1.81 -1.33 0.00 0.00 177.39 175.25 1x2q s ASP 46 N -6.39 0.31 -0.33 -1.43 1.11 -0.38 -5.03 116.67 104.53 1x2q s ASP 46 Ca -0.28 -0.03 0.15 0.00 0.18 0.00 0.00 52.55 52.57 1x2q s ASP 46 Cb 0.08 -0.10 0.46 0.00 1.07 0.00 0.00 42.92 44.43 1x2q s ASP 46 CO 0.67 -0.02 1.03 -0.90 1.18 0.00 0.00 175.17 177.12 1x2q n ASP 47 N 3.47 2.39 -0.07 0.27 5.68 -1.26 -1.56 116.55 125.48 1x2q n ASP 47 Ca -0.18 -2.88 -0.14 0.00 -0.50 0.00 0.00 54.79 51.09 1x2q n ASP 47 Cb 0.56 -0.49 -0.13 0.00 -1.14 0.00 0.00 41.12 39.91 1x2q n ASP 47 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1x2q h SER 48 N 2.79 -0.00 -3.65 -1.12 0.02 -1.97 -3.44 113.55 106.19 1x2q h SER 48 Ca 0.01 -0.97 -0.62 0.00 -0.84 0.00 0.00 61.79 59.37 1x2q h SER 48 Cb 1.16 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.56 1x2q h SER 48 CO 0.54 0.97 -0.44 -0.62 -1.14 0.00 0.00 176.83 176.14 1x2q s ASP 49 N -6.19 6.15 0.39 3.07 -1.08 -1.26 -4.95 116.67 112.81 1x2q s ASP 49 Ca -0.19 0.16 0.20 0.00 -0.52 0.00 0.00 52.55 52.20 1x2q s ASP 49 Cb -0.03 -2.14 0.75 0.00 -1.46 0.00 0.00 42.92 40.05 1x2q s ASP 49 CO 0.68 -0.00 1.76 0.00 0.52 0.00 0.00 175.17 178.13 1x2q h ALA 50 N 7.74 1.02 -0.36 3.66 0.00 -1.99 -2.95 119.26 126.37 1x2q h ALA 50 Ca -0.37 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 1x2q h ALA 50 Cb 1.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1x2q h ALA 50 CO 0.64 0.42 0.09 -0.91 0.00 0.00 0.00 179.25 179.48 1x2q h ASN 51 N 0.00 0.55 -3.37 0.00 2.35 -1.94 -3.32 115.58 109.85 1x2q h ASN 51 Ca -0.00 -0.23 -0.47 0.00 -0.55 0.00 0.00 56.30 55.04 1x2q h ASN 51 Cb 0.84 -0.14 -0.35 0.00 0.05 0.00 0.00 38.32 38.72 1x2q h ASN 51 CO 0.04 0.64 -0.79 0.26 -1.65 0.00 0.00 177.43 175.93 1x2q s TRP 52 N -5.29 1.15 -0.11 1.19 0.52 -1.11 -4.36 118.94 110.92 1x2q s TRP 52 Ca -0.13 -0.43 -0.00 0.00 0.02 0.00 0.00 56.10 55.55 1x2q s TRP 52 Cb 0.09 -0.94 -0.02 0.00 -1.15 0.00 0.00 33.47 31.45 1x2q s TRP 52 CO 0.76 -0.30 -0.10 -1.58 0.02 0.00 0.00 176.95 175.76 1x2q s TRP 53 N 1.06 2.87 -0.37 -1.98 0.52 0.27 -4.06 118.94 117.26 1x2q s TRP 53 Ca -0.08 -0.36 -0.17 0.00 0.02 0.00 0.00 56.10 55.51 1x2q s TRP 53 Cb -0.14 -1.82 0.00 0.00 -1.15 0.00 0.00 33.47 30.36 1x2q s TRP 53 CO -0.01 -0.01 0.47 0.21 0.02 0.00 0.00 176.95 177.63 1x2q s LYS 54 N -0.01 3.47 0.32 4.98 2.20 -0.60 -2.37 119.74 127.72 1x2q s LYS 54 Ca -0.02 -0.37 0.05 0.00 -0.36 0.00 0.00 55.97 55.27 1x2q s LYS 54 Cb -0.14 -3.85 -0.03 0.00 -1.51 0.00 0.00 37.83 32.30 1x2q s LYS 54 CO 0.03 -0.68 0.28 0.20 -0.36 0.00 0.00 175.35 174.82 1x2q s GLY 55 N 1.78 2.15 0.03 5.54 0.00 -1.24 0.86 107.32 116.45 1x2q s GLY 55 Ca 0.16 -1.98 0.02 0.00 0.00 0.00 0.00 44.72 42.91 1x2q s GLY 55 CO 0.13 -1.42 -0.06 1.85 0.00 0.00 0.00 173.10 173.60 1x2q s GLU 56 N -3.50 0.45 0.21 2.90 -6.30 0.43 -3.09 118.70 109.80 1x2q s GLU 56 Ca 0.40 -0.60 -0.07 0.00 -2.50 0.00 0.00 54.97 52.20 1x2q s GLU 56 Cb 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 34.13 33.91 1x2q s GLU 56 CO 0.25 0.04 0.29 0.54 0.02 0.00 0.00 175.26 176.40 1x2q s ASN 57 N -1.24 0.04 0.23 -1.70 2.20 0.15 0.19 114.94 114.81 1x2q s ASN 57 Ca -0.09 -1.14 -0.15 0.00 -0.94 0.00 0.00 52.86 50.55 1x2q s ASN 57 Cb -0.08 0.47 0.27 0.00 -2.00 0.00 0.00 41.25 39.91 1x2q s ASN 57 CO 0.00 -0.97 1.47 0.00 -2.94 0.00 0.00 177.10 174.67 1x2q n HIS 58 N -0.30 0.09 -0.24 1.54 1.44 -1.26 0.19 115.22 116.68 1x2q n HIS 58 Ca -0.01 1.17 0.04 0.00 -2.01 0.00 0.00 57.72 56.91 1x2q n HIS 58 Cb 0.64 -0.89 0.16 0.00 0.12 0.00 0.00 29.99 30.01 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 0.37 0.00 -1.40 3.08 -1.96 -3.48 114.38 111.00 1x2q h ARG 59 Ca 0.36 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1x2q h ARG 59 Cb 0.59 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1x2q h ARG 59 CO -0.95 0.25 0.00 0.41 -1.07 0.00 0.00 179.97 178.61 1x2q n GLY 60 N -1.32 0.12 3.96 0.04 0.00 0.50 -5.09 105.19 103.39 1x2q n GLY 60 Ca 0.12 -1.35 -0.19 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 -3.32 3.82 0.00 -0.61 1.09 -1.26 0.32 121.20 121.24 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 -3.31 0.00 0.00 -1.06 0.00 0.00 42.46 38.09 1x2q s ILE 61 CO 0.00 -0.14 0.00 0.61 -0.10 0.00 0.00 174.94 175.31 1x2q n GLY 62 N -1.60 2.08 3.82 6.18 0.00 -1.18 -4.67 105.19 109.83 1x2q n GLY 62 Ca 0.00 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.72 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 4.40 0.17 0.99 2.01 -1.24 -3.66 118.68 121.36 1x2q s LEU 63 Ca 0.00 1.24 -0.23 0.00 0.01 0.00 0.00 54.13 55.15 1x2q s LEU 63 Cb 0.00 -3.24 0.06 0.00 0.01 0.00 0.00 46.19 43.02 1x2q s LEU 63 CO 0.00 0.14 0.69 0.72 1.01 0.00 0.00 176.35 178.91 1x2q s PHE 64 N -1.36 -0.40 0.31 0.29 -0.71 -1.00 0.20 117.98 115.30 1x2q s PHE 64 Ca 0.36 0.13 -0.28 0.00 -1.04 0.00 0.00 56.93 56.10 1x2q s PHE 64 Cb -0.17 0.60 -0.09 0.00 -1.21 0.00 0.00 43.02 42.15 1x2q s PHE 64 CO 0.20 -0.91 1.07 -1.25 -1.34 0.00 0.00 175.22 172.99 1x2q s PRO 65 N -3.69 4.53 0.00 1.99 0.04 -1.26 0.97 135.00 137.58 1x2q s PRO 65 Ca 0.05 1.70 0.30 0.00 0.04 0.00 0.00 61.00 63.09 1x2q s PRO 65 Cb -0.02 -3.02 1.61 0.00 0.04 0.00 0.00 34.50 33.11 1x2q s PRO 65 CO -0.06 0.14 2.08 0.43 0.04 0.00 0.00 177.00 179.63 1x2q n SER 66 N 0.88 0.00 -1.42 6.66 7.64 -1.25 -2.82 113.62 123.31 1x2q n SER 66 Ca 0.00 -0.41 0.05 0.00 1.01 0.00 0.00 58.87 59.52 1x2q n SER 66 Cb 0.46 -0.19 0.28 0.00 -1.01 0.00 0.00 64.21 63.75 1x2q n SER 66 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1x2q n ASN 67 N -1.19 4.16 0.00 6.43 3.02 -1.26 -3.60 115.26 122.81 1x2q n ASN 67 Ca 0.17 -2.59 0.00 0.00 -0.03 0.00 0.00 54.58 52.13 1x2q n ASN 67 Cb 0.19 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 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 0.49 0.00 -4.52 3.10 3.01 -1.13 -4.91 117.46 113.50 1x2q n PHE 68 Ca 0.19 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.40 1x2q n PHE 68 Cb 0.87 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 40.25 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 -0.16 0.91 -0.02 -4.37 -7.23 -1.24 0.17 120.40 108.46 1x2q s VAL 69 Ca 0.00 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1x2q s VAL 69 Cb 0.00 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.45 1x2q s VAL 69 CO 0.00 0.00 -0.03 0.28 -0.31 0.00 0.00 175.10 175.04 1x2q s THR 70 N -3.20 0.31 -0.88 5.32 -1.32 -0.16 -4.73 115.64 110.98 1x2q s THR 70 Ca 0.27 -0.06 -0.06 0.00 -1.21 0.00 0.00 61.69 60.63 1x2q s THR 70 Cb 0.05 -0.33 -0.08 0.00 -1.51 0.00 0.00 72.50 70.63 1x2q s THR 70 CO 0.14 0.14 2.36 0.35 -2.21 0.00 0.00 174.62 175.39 1x2q n THR 71 N 3.65 2.71 -3.07 5.08 -2.24 -1.26 -2.26 114.28 116.89 1x2q n THR 71 Ca -0.21 -1.58 0.05 0.00 -2.27 0.00 0.00 64.05 60.04 1x2q n THR 71 Cb 0.54 -2.17 0.00 0.00 -2.10 0.00 0.00 70.33 66.60 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 -0.17 0.09 3.42 2.47 -1.26 -5.05 114.94 117.41 1x2q s ASN 72 Ca 0.46 0.00 -0.31 0.00 0.42 0.00 0.00 52.86 53.43 1x2q s ASN 72 Cb 0.14 0.94 -0.14 0.00 -1.45 0.00 0.00 41.25 40.74 1x2q s ASN 72 CO -0.03 -0.03 1.62 -0.07 -3.72 0.00 0.00 177.10 174.87 1x2q h LEU 73 N 6.76 -0.87 -7.35 3.21 3.38 -1.87 -3.42 115.31 115.16 1x2q h LEU 73 Ca -0.10 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1x2q h LEU 73 Cb 1.18 0.28 -0.22 0.00 0.09 0.00 0.00 40.66 41.99 1x2q h LEU 73 CO -0.14 -0.49 -0.21 0.20 0.09 0.00 0.00 178.44 177.89 1x2q s ASN 74 N -4.57 -0.38 -0.40 -0.43 0.01 -1.26 -4.87 114.94 103.05 1x2q s ASN 74 Ca -0.17 0.61 -0.27 0.00 -0.71 0.00 0.00 52.86 52.32 1x2q s ASN 74 Cb 0.05 0.67 -0.06 0.00 0.41 0.00 0.00 41.25 42.32 1x2q s ASN 74 CO 0.63 -0.27 2.34 -0.63 -1.51 0.00 0.00 177.10 177.66 1x2q s ILE 75 N -0.34 3.01 -0.01 0.60 1.01 -1.26 -4.91 121.20 119.30 1x2q s ILE 75 Ca -0.05 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.63 1x2q s ILE 75 Cb -0.03 -3.02 -0.00 0.00 0.01 0.00 0.00 42.46 39.41 1x2q s ILE 75 CO 0.02 -0.02 -0.06 -1.61 0.00 0.00 0.00 174.94 173.27 1x2q s GLU 76 N 7.60 0.51 0.29 2.79 2.02 -1.26 -5.15 118.70 125.50 1x2q s GLU 76 Ca 0.98 -0.22 -0.07 0.00 0.02 0.00 0.00 54.97 55.68 1x2q s GLU 76 Cb -0.22 -0.50 -0.06 0.00 0.10 0.00 0.00 34.13 33.45 1x2q s GLU 76 CO 0.29 0.13 0.59 -0.08 0.02 0.00 0.00 175.26 176.21 1x2q s THR 77 N -0.11 4.95 -0.31 3.63 -1.32 -1.26 -5.07 115.64 116.15 1x2q s THR 77 Ca 0.02 0.28 0.04 0.00 -1.21 0.00 0.00 61.69 60.81 1x2q s THR 77 Cb -0.03 -3.70 0.08 0.00 -1.51 0.00 0.00 72.50 67.35 1x2q s THR 77 CO -0.00 -0.28 -0.01 -1.61 -2.21 0.00 0.00 174.62 170.51 1x2q s GLU 78 N -3.38 1.77 -0.41 7.08 2.02 -1.26 -4.97 118.70 119.54 1x2q s GLU 78 Ca 0.46 -1.66 0.09 0.00 0.02 0.00 0.00 54.97 53.88 1x2q s GLU 78 Cb -0.11 -3.07 0.29 0.00 0.10 0.00 0.00 34.13 31.34 1x2q s GLU 78 CO 0.27 -0.80 0.72 0.00 0.02 0.00 0.00 175.26 175.48 1x2q n ALA 79 N 4.33 1.23 -2.07 5.21 0.00 -1.26 -5.12 120.51 122.83 1x2q n ALA 79 Ca -0.03 -2.81 -0.19 0.00 0.00 0.00 0.00 53.44 50.41 1x2q n ALA 79 Cb 0.42 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.04 4.53 0.02 0.00 0.00 -1.26 -5.04 121.76 118.97 1x2q s ALA 80 Ca 0.34 -1.84 -0.30 0.00 0.00 0.00 0.00 51.96 50.17 1x2q s ALA 80 Cb 0.25 -1.45 -0.07 0.00 0.00 0.00 0.00 23.12 21.85 1x2q s ALA 80 CO -0.12 -0.48 1.75 0.00 0.00 0.00 0.00 175.76 176.91 1x2q s ALA 81 N -2.50 3.64 0.03 0.00 0.00 -1.26 -4.97 121.76 116.70 1x2q s ALA 81 Ca 0.55 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 53.65 1x2q s ALA 81 Cb -0.07 -3.76 -0.03 0.00 0.00 0.00 0.00 23.12 19.26 1x2q s ALA 81 CO 0.34 -1.34 -0.01 0.54 0.00 0.00 0.00 175.76 175.29 1x2q s VAL 82 N 3.65 0.15 0.55 0.00 0.11 -1.26 -5.10 120.40 118.51 1x2q s VAL 82 Ca 0.78 -1.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 1x2q s VAL 82 Cb -0.38 -0.84 0.00 0.00 -1.53 0.00 0.00 36.38 33.63 1x2q s VAL 82 CO 0.34 -0.70 0.00 -1.20 -3.33 0.00 0.00 175.10 170.21 1x2q n SER 83 N 0.90 -8.25 -0.22 3.54 7.64 -1.26 -5.08 113.62 110.89 1x2q n SER 83 Ca -0.19 1.61 0.00 0.00 1.01 0.00 0.00 58.87 61.29 1x2q n SER 83 Cb 0.58 -4.80 0.00 0.00 -1.01 0.00 0.00 64.21 58.98 1x2q n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x2q n GLY 84 N -2.00 4.55 0.08 0.23 0.00 -1.26 -5.07 105.19 101.71 1x2q n GLY 84 Ca 0.00 -1.36 -0.14 0.00 0.00 0.00 0.00 46.02 44.52 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 0.09 -6.13 1.61 0.13 -2.08 -3.45 132.00 122.16 1x2q h PRO 85 Ca 0.00 -0.08 -0.67 0.00 -0.87 0.00 0.00 66.00 64.38 1x2q h PRO 85 Cb 0.00 0.02 0.10 0.00 0.13 0.00 0.00 31.00 31.25 1x2q h PRO 85 CO 0.00 0.81 -0.25 0.43 -0.23 0.00 0.00 178.00 178.76 1x2q n SER 86 N -4.63 -0.34 0.00 1.44 7.64 -1.26 -4.93 113.62 111.54 1x2q n SER 86 Ca -0.09 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1x2q n SER 86 Cb 0.42 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1x2q n SER 86 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x2q n SER 87 N 1.79 0.00 0.00 6.43 3.41 -1.26 -5.14 113.62 118.84 1x2q n SER 87 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1x2q n SER 87 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1x2q n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49