#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4t s GLN 2 N 0.00 0.63 0.29 0.38 -0.21 -1.26 -4.61 119.66 114.88 2x4t s GLN 2 Ca 0.00 -0.10 -0.04 0.00 0.02 0.00 0.00 55.36 55.24 2x4t s GLN 2 Cb 0.00 -0.12 -0.05 0.00 1.00 0.00 0.00 33.01 33.85 2x4t s GLN 2 CO 0.00 -1.12 0.53 1.03 -2.12 0.00 0.00 175.29 173.61 2x4t s ARG 3 N 2.15 3.60 -0.14 2.91 0.52 -0.80 -4.94 118.95 122.24 2x4t s ARG 3 Ca 0.13 -0.08 -0.05 0.00 -0.52 0.00 0.00 55.73 55.22 2x4t s ARG 3 Cb -0.09 -2.67 -0.03 0.00 0.52 0.00 0.00 34.95 32.67 2x4t s ARG 3 CO -0.16 0.23 0.02 0.99 0.02 0.00 0.00 175.30 176.40 2x4t s THR 4 N -2.09 4.44 -0.03 0.02 2.01 -1.25 -3.26 115.64 115.48 2x4t s THR 4 Ca 0.43 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 2x4t s THR 4 Cb -0.11 -2.94 -0.07 0.00 0.01 0.00 0.00 72.50 69.40 2x4t s THR 4 CO 0.31 0.53 1.85 -2.16 -0.69 0.00 0.00 174.62 174.45 2x4t s PRO 5 N -0.12 4.06 0.27 4.92 0.04 -1.26 -4.42 135.00 138.49 2x4t s PRO 5 Ca 0.05 2.35 -0.29 0.00 0.04 0.00 0.00 61.00 63.15 2x4t s PRO 5 Cb -0.12 -4.10 -0.09 0.00 0.04 0.00 0.00 34.50 30.22 2x4t s PRO 5 CO 0.02 -1.02 1.14 0.15 0.04 0.00 0.00 177.00 177.32 2x4t s LYS 6 N 4.45 4.59 -0.08 4.56 1.02 0.33 -4.87 119.74 129.75 2x4t s LYS 6 Ca 0.83 1.86 0.03 0.00 0.02 0.00 0.00 55.97 58.70 2x4t s LYS 6 Cb -0.37 -3.19 0.01 0.00 -0.52 0.00 0.00 37.83 33.76 2x4t s LYS 6 CO 0.36 0.12 -0.15 0.42 -0.92 0.00 0.00 175.35 175.18 2x4t s ILE 7 N -0.96 1.39 -0.07 2.17 1.01 -1.26 -1.42 121.20 122.06 2x4t s ILE 7 Ca 0.46 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.52 2x4t s ILE 7 Cb -0.33 -1.24 0.01 0.00 0.01 0.00 0.00 42.46 40.91 2x4t s ILE 7 CO 0.41 0.41 -0.15 -1.10 0.00 0.00 0.00 174.94 174.52 2x4t s GLN 8 N 0.60 1.91 -0.10 2.79 -0.21 -0.34 -4.98 119.66 119.32 2x4t s GLN 8 Ca -0.15 -0.52 0.02 0.00 0.02 0.00 0.00 55.36 54.73 2x4t s GLN 8 Cb -0.16 -1.56 -0.01 0.00 1.00 0.00 0.00 33.01 32.27 2x4t s GLN 8 CO 0.05 0.10 -0.16 0.08 -2.12 0.00 0.00 175.29 173.23 2x4t s VAL 9 N 0.48 2.77 0.10 1.09 1.01 -1.26 -0.62 120.40 123.98 2x4t s VAL 9 Ca -0.13 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 60.81 2x4t s VAL 9 Cb -0.15 -2.12 0.08 0.00 0.00 0.00 0.00 36.38 34.19 2x4t s VAL 9 CO 0.04 0.55 1.04 -0.72 0.00 0.00 0.00 175.10 176.01 2x4t s TYR 10 N 0.09 -0.11 0.09 5.22 -0.85 -0.40 -4.51 117.35 116.87 2x4t s TYR 10 Ca -0.07 -0.14 0.03 0.00 -0.52 0.00 0.00 57.07 56.37 2x4t s TYR 10 Cb -0.15 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 42.76 2x4t s TYR 10 CO 0.05 -0.68 0.10 -1.54 -1.52 0.00 0.00 175.55 171.96 2x4t s SER 11 N -2.93 5.63 0.20 -0.18 1.04 -1.26 0.97 113.70 117.16 2x4t s SER 11 Ca 0.12 0.01 -0.08 0.00 0.48 0.00 0.00 55.95 56.49 2x4t s SER 11 Cb 0.00 -1.54 0.11 0.00 0.10 0.00 0.00 66.02 64.69 2x4t s SER 11 CO 0.00 0.16 1.67 -0.09 0.98 0.00 0.00 173.24 175.97 2x4t h ARG 12 N 3.16 1.07 -6.40 4.02 2.43 -1.58 -3.44 114.38 113.63 2x4t h ARG 12 Ca -0.47 -0.31 -0.62 0.00 -0.81 0.00 0.00 59.98 57.78 2x4t h ARG 12 Cb 1.17 -0.11 -0.13 0.00 -0.42 0.00 0.00 29.97 30.47 2x4t h ARG 12 CO 0.67 1.01 -0.71 -1.01 -1.51 0.00 0.00 179.97 178.42 2x4t s HIS 13 N -5.09 2.66 0.17 2.20 3.76 -1.26 -5.03 115.29 112.69 2x4t s HIS 13 Ca -0.12 -0.21 -0.33 0.00 -0.15 0.00 0.00 55.06 54.25 2x4t s HIS 13 Cb 0.14 -1.28 -0.16 0.00 1.11 0.00 0.00 32.58 32.39 2x4t s HIS 13 CO 0.85 0.53 1.22 -2.30 -0.85 0.00 0.00 174.74 174.19 2x4t n PRO 14 N -0.08 1.27 -2.68 8.40 -0.02 -1.26 -4.85 135.00 135.77 2x4t n PRO 14 Ca -0.10 0.45 -0.43 0.00 -2.02 0.00 0.00 63.50 61.40 2x4t n PRO 14 Cb 0.56 -1.99 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 2x4t n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x4t s ALA 15 N -0.08 3.56 -0.08 3.55 0.00 -1.26 -5.02 121.76 122.43 2x4t s ALA 15 Ca 0.74 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.98 2x4t s ALA 15 Cb -0.84 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 18.80 2x4t s ALA 15 CO 0.51 -0.84 -0.12 -1.21 0.00 0.00 0.00 175.76 174.10 2x4t s GLU 16 N 2.65 1.76 0.24 0.00 2.02 -1.26 -5.07 118.70 119.03 2x4t s GLU 16 Ca 0.46 -0.41 -0.31 0.00 0.02 0.00 0.00 54.97 54.73 2x4t s GLU 16 Cb -0.16 -1.51 -0.14 0.00 0.10 0.00 0.00 34.13 32.41 2x4t s GLU 16 CO 0.11 -0.04 1.26 0.09 0.02 0.00 0.00 175.26 176.70 2x4t n ASN 17 N 4.07 2.12 0.00 -0.19 3.02 -1.26 -2.40 115.26 120.62 2x4t n ASN 17 Ca -0.20 1.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.50 2x4t n ASN 17 Cb 0.51 -1.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 2x4t n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x4t n GLY 18 N 1.80 2.89 3.83 7.41 0.00 -0.41 -4.98 105.19 115.72 2x4t n GLY 18 Ca 0.11 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 2x4t n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x4t s LYS 19 N 0.00 4.17 0.46 1.61 1.02 -1.01 -4.90 119.74 121.09 2x4t s LYS 19 Ca 0.00 0.81 -0.21 0.00 0.02 0.00 0.00 55.97 56.59 2x4t s LYS 19 Cb 0.00 -2.72 -0.09 0.00 -0.52 0.00 0.00 37.83 34.50 2x4t s LYS 19 CO 0.00 0.31 1.03 -1.54 -0.92 0.00 0.00 175.35 174.23 2x4t s SER 20 N -1.87 6.50 0.39 2.83 1.04 -1.26 -3.90 113.70 117.42 2x4t s SER 20 Ca 0.47 1.93 -0.15 0.00 0.48 0.00 0.00 55.95 58.67 2x4t s SER 20 Cb -0.14 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 63.47 2x4t s SER 20 CO 0.20 -0.67 0.80 0.21 0.98 0.00 0.00 173.24 174.75 2x4t s ASN 21 N -1.91 0.02 -0.06 7.02 3.84 0.94 -4.98 114.94 119.81 2x4t s ASN 21 Ca 0.65 -1.18 0.06 0.00 0.21 0.00 0.00 52.86 52.60 2x4t s ASN 21 Cb -0.17 0.86 -0.01 0.00 -0.55 0.00 0.00 41.25 41.38 2x4t s ASN 21 CO 0.21 -1.71 -0.24 -0.36 -2.79 0.00 0.00 177.10 172.20 2x4t s PHE 22 N -2.22 2.45 -0.26 0.43 0.08 -1.26 -0.69 117.98 116.52 2x4t s PHE 22 Ca 0.16 -0.68 -0.16 0.00 0.12 0.00 0.00 56.93 56.37 2x4t s PHE 22 Cb -0.05 -1.60 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 2x4t s PHE 22 CO 0.12 -0.19 0.40 -1.17 -0.10 0.00 0.00 175.22 174.28 2x4t s LEU 23 N -0.20 4.05 -0.00 -0.37 2.96 -0.44 -1.30 118.68 123.38 2x4t s LEU 23 Ca -0.02 0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.28 2x4t s LEU 23 Cb -0.13 -2.48 -0.03 0.00 0.50 0.00 0.00 46.19 44.04 2x4t s LEU 23 CO 0.03 -0.19 -0.07 0.20 -1.32 0.00 0.00 176.35 175.00 2x4t s ASN 24 N 1.55 4.60 -0.15 3.68 0.01 0.27 -2.31 114.94 122.60 2x4t s ASN 24 Ca 0.17 -0.14 -0.01 0.00 -0.71 0.00 0.00 52.86 52.16 2x4t s ASN 24 Cb -0.16 -1.07 0.04 0.00 0.41 0.00 0.00 41.25 40.48 2x4t s ASN 24 CO 0.09 0.29 -0.02 0.00 -1.51 0.00 0.00 177.10 175.95 2x4t s TYR 26 N 1.75 3.07 -0.20 0.00 5.04 0.21 0.10 117.35 127.32 2x4t s TYR 26 Ca 0.01 -1.44 -0.05 0.00 -2.44 0.00 0.00 57.07 53.16 2x4t s TYR 26 Cb -0.15 -2.09 -0.02 0.00 0.35 0.00 0.00 41.96 40.05 2x4t s TYR 26 CO -0.07 -0.70 0.00 0.14 -1.34 0.00 0.00 175.55 173.58 2x4t s VAL 27 N 1.36 3.98 0.25 3.14 -7.23 -1.01 -1.20 120.40 119.69 2x4t s VAL 27 Ca 0.01 -0.30 0.04 0.00 -1.81 0.00 0.00 61.98 59.92 2x4t s VAL 27 Cb -0.16 -2.80 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 2x4t s VAL 27 CO -0.04 0.42 -0.00 -0.94 -0.31 0.00 0.00 175.10 174.24 2x4t s SER 28 N 1.03 2.06 -0.24 4.85 1.04 -0.51 -1.60 113.70 120.33 2x4t s SER 28 Ca 0.02 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.21 2x4t s SER 28 Cb -0.14 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.94 2x4t s SER 28 CO 0.02 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.35 2x4t n GLY 29 N -0.49 0.56 3.83 7.32 0.00 -0.88 -0.52 105.19 115.03 2x4t n GLY 29 Ca -0.05 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 2x4t n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2x4t s PHE 30 N -2.01 3.19 -0.28 1.61 -0.71 -1.25 -3.87 117.98 114.67 2x4t s PHE 30 Ca 0.00 -0.04 -0.21 0.00 -1.04 0.00 0.00 56.93 55.64 2x4t s PHE 30 Cb 0.00 -1.49 0.11 0.00 -1.21 0.00 0.00 43.02 40.43 2x4t s PHE 30 CO 0.00 0.51 0.87 -1.58 -1.34 0.00 0.00 175.22 173.69 2x4t s HIS 31 N -1.90 -0.70 0.00 3.49 2.46 -1.20 -1.21 115.29 116.23 2x4t s HIS 31 Ca 0.32 1.54 0.00 0.00 0.47 0.00 0.00 55.06 57.39 2x4t s HIS 31 Cb -0.09 0.40 0.00 0.00 -0.13 0.00 0.00 32.58 32.76 2x4t s HIS 31 CO 0.25 -0.34 0.00 -0.35 -2.47 0.00 0.00 174.74 171.83 2x4t n PRO 32 N 3.15 0.76 -0.17 2.88 -0.04 -1.26 -1.91 135.00 138.42 2x4t n PRO 32 Ca -0.16 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.41 2x4t n PRO 32 Cb 0.57 0.00 0.25 0.00 -0.04 0.00 0.00 33.50 34.28 2x4t n PRO 32 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2x4t n SER 33 N -0.47 2.99 -4.64 3.54 3.41 -1.26 -4.80 113.62 112.39 2x4t n SER 33 Ca 0.00 -1.93 -0.42 0.00 -0.26 0.00 0.00 58.87 56.27 2x4t n SER 33 Cb 0.00 -0.22 -0.05 0.00 -0.26 0.00 0.00 64.21 63.68 2x4t n SER 33 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2x4t s ASP 34 N -1.48 6.78 -0.19 4.04 -1.08 -1.26 -5.00 116.67 118.48 2x4t s ASP 34 Ca 0.37 0.95 -0.28 0.00 -0.52 0.00 0.00 52.55 53.08 2x4t s ASP 34 Cb 0.21 -2.42 0.09 0.00 -1.46 0.00 0.00 42.92 39.35 2x4t s ASP 34 CO 0.30 -0.51 0.84 -0.51 0.52 0.00 0.00 175.17 175.81 2x4t s ILE 35 N 2.81 0.00 -0.17 4.11 2.07 -1.26 -4.59 121.20 124.17 2x4t s ILE 35 Ca 0.33 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.51 2x4t s ILE 35 Cb -0.15 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.40 2x4t s ILE 35 CO 0.08 0.00 0.05 -1.61 -1.91 0.00 0.00 174.94 171.55 2x4t s GLU 36 N -0.38 3.84 -0.09 3.50 8.01 -0.36 -4.97 118.70 128.25 2x4t s GLU 36 Ca -0.03 -0.36 -0.00 0.00 0.01 0.00 0.00 54.97 54.59 2x4t s GLU 36 Cb -0.03 -3.14 0.02 0.00 -4.31 0.00 0.00 34.13 26.68 2x4t s GLU 36 CO 0.02 0.33 -0.06 0.08 0.01 0.00 0.00 175.26 175.63 2x4t s VAL 37 N 0.21 0.84 0.04 2.63 1.01 -1.26 -1.14 120.40 122.72 2x4t s VAL 37 Ca 0.03 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 61.89 2x4t s VAL 37 Cb -0.12 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 2x4t s VAL 37 CO 0.01 0.33 -0.21 -1.81 0.00 0.00 0.00 175.10 173.41 2x4t s ASP 38 N 1.54 2.53 -0.15 3.32 1.01 0.50 -4.97 116.67 120.45 2x4t s ASP 38 Ca 0.01 -0.51 -0.04 0.00 0.71 0.00 0.00 52.55 52.71 2x4t s ASP 38 Cb -0.13 -0.22 -0.03 0.00 1.01 0.00 0.00 42.92 43.55 2x4t s ASP 38 CO -0.05 0.18 -0.01 -0.76 0.21 0.00 0.00 175.17 174.74 2x4t s LEU 39 N -1.11 3.44 -0.05 1.23 1.43 -1.26 -0.24 118.68 122.12 2x4t s LEU 39 Ca 0.08 -0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 2x4t s LEU 39 Cb -0.09 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 2x4t s LEU 39 CO 0.02 0.21 -0.15 -0.76 0.23 0.00 0.00 176.35 175.89 2x4t s LEU 40 N 0.13 2.66 -0.24 1.79 1.43 0.59 -0.44 118.68 124.59 2x4t s LEU 40 Ca 0.01 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 52.84 2x4t s LEU 40 Cb -0.13 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.56 2x4t s LEU 40 CO 0.02 0.33 -0.05 -0.75 0.23 0.00 0.00 176.35 176.13 2x4t s LYS 41 N -0.64 3.11 -1.38 1.70 2.20 -0.44 -1.85 119.74 122.44 2x4t s LYS 41 Ca 0.10 -0.80 -0.13 0.00 -0.36 0.00 0.00 55.97 54.78 2x4t s LYS 41 Cb -0.11 -3.00 0.10 0.00 -1.51 0.00 0.00 37.83 33.31 2x4t s LYS 41 CO 0.01 -0.30 0.57 0.09 -0.36 0.00 0.00 175.35 175.36 2x4t n ASN 42 N 4.74 -3.39 0.00 1.43 5.03 0.42 -1.87 115.26 121.62 2x4t n ASN 42 Ca -0.17 -0.58 0.00 0.00 0.87 0.00 0.00 54.58 54.70 2x4t n ASN 42 Cb 0.49 -2.81 0.00 0.00 -1.02 0.00 0.00 39.78 36.44 2x4t n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2x4t n GLY 43 N -1.21 2.74 3.77 7.41 0.00 -1.26 -5.04 105.19 111.61 2x4t n GLY 43 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 2x4t n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2x4t s GLU 44 N -0.77 2.81 -0.22 1.61 -1.05 -0.78 -5.00 118.70 115.30 2x4t s GLU 44 Ca 0.00 -0.90 -0.29 0.00 -0.15 0.00 0.00 54.97 53.63 2x4t s GLU 44 Cb 0.00 -2.60 -0.01 0.00 -0.44 0.00 0.00 34.13 31.08 2x4t s GLU 44 CO 0.00 0.48 1.39 0.50 0.95 0.00 0.00 175.26 178.58 2x4t s ARG 45 N -3.03 4.01 0.24 -4.83 3.52 -1.26 -1.33 118.95 116.28 2x4t s ARG 45 Ca 0.30 1.55 -0.30 0.00 -0.13 0.00 0.00 55.73 57.16 2x4t s ARG 45 Cb -0.10 -3.89 -0.09 0.00 -1.56 0.00 0.00 34.95 29.31 2x4t s ARG 45 CO 0.22 -1.00 1.23 0.42 -0.81 0.00 0.00 175.30 175.36 2x4t s ILE 46 N 4.25 3.26 -0.16 4.11 1.01 0.41 -4.94 121.20 129.14 2x4t s ILE 46 Ca 0.61 1.14 -0.13 0.00 0.00 0.00 0.00 60.65 62.26 2x4t s ILE 46 Cb -0.22 -3.73 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 2x4t s ILE 46 CO 0.22 0.22 0.00 -0.33 0.00 0.00 0.00 174.94 175.06 2x4t h GLU 47 N 4.54 0.00 -5.02 2.79 5.08 -1.94 -3.43 114.58 116.60 2x4t h GLU 47 Ca -0.46 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.20 2x4t h GLU 47 Cb 1.22 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.40 2x4t h GLU 47 CO 0.71 0.37 2.58 1.63 -1.00 0.00 0.00 179.01 183.31 2x4t n LYS 48 N -4.57 3.06 -3.96 2.33 5.02 -1.26 -4.89 118.16 113.90 2x4t n LYS 48 Ca -0.15 -3.01 -0.32 0.00 -2.02 0.00 0.00 58.31 52.81 2x4t n LYS 48 Cb 0.39 -3.39 -0.14 0.00 -0.02 0.00 0.00 35.03 31.87 2x4t n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2x4t s VAL 49 N 3.69 2.54 0.00 -0.18 1.01 -1.26 -4.67 120.40 121.52 2x4t s VAL 49 Ca 0.51 -2.50 0.00 0.00 0.00 0.00 0.00 61.98 59.98 2x4t s VAL 49 Cb 0.08 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.64 2x4t s VAL 49 CO 0.01 -0.66 0.00 -0.62 0.00 0.00 0.00 175.10 173.83 2x4t n GLU 50 N 4.07 -0.61 -3.63 2.72 1.02 -0.72 -4.83 120.64 118.65 2x4t n GLU 50 Ca 0.03 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.14 2x4t n GLU 50 Cb 0.40 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.79 2x4t n GLU 50 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2x4t s HIS 51 N -0.82 -0.08 1.17 -0.32 -3.43 -1.26 -3.14 115.29 107.41 2x4t s HIS 51 Ca 0.00 0.10 -0.20 0.00 -0.80 0.00 0.00 55.06 54.17 2x4t s HIS 51 Cb 0.00 0.50 0.28 0.00 -1.43 0.00 0.00 32.58 31.93 2x4t s HIS 51 CO 0.00 -0.09 1.17 -1.54 -2.00 0.00 0.00 174.74 172.29 2x4t s SER 52 N -1.40 1.20 -0.04 7.38 1.04 0.23 -4.97 113.70 117.13 2x4t s SER 52 Ca 0.09 0.43 -0.22 0.00 0.48 0.00 0.00 55.95 56.73 2x4t s SER 52 Cb -0.01 -0.54 -0.05 0.00 0.10 0.00 0.00 66.02 65.52 2x4t s SER 52 CO -0.05 -3.93 0.63 -1.81 0.98 0.00 0.00 173.24 169.05 2x4t s ASP 53 N -4.23 6.95 0.15 7.02 1.01 -1.26 -4.75 116.67 121.56 2x4t s ASP 53 Ca 0.73 1.14 -0.34 0.00 0.71 0.00 0.00 52.55 54.79 2x4t s ASP 53 Cb -0.06 -2.38 -0.16 0.00 1.01 0.00 0.00 42.92 41.33 2x4t s ASP 53 CO 0.55 -0.00 1.17 -0.11 0.21 0.00 0.00 175.17 176.99 2x4t n LEU 54 N 3.28 1.41 -4.02 1.23 7.94 -1.26 -4.94 117.00 120.64 2x4t n LEU 54 Ca -0.04 1.14 -0.12 0.00 -1.11 0.00 0.00 56.01 55.87 2x4t n LEU 54 Cb 0.51 -1.19 -0.03 0.00 0.53 0.00 0.00 43.42 43.24 2x4t n LEU 54 CO 0.45 -1.33 0.21 -0.55 -1.11 0.00 0.00 177.39 175.06 2x4t s SER 55 N 0.05 0.52 0.31 1.96 0.15 -1.23 -5.03 113.70 110.43 2x4t s SER 55 Ca 0.76 -1.30 0.01 0.00 0.70 0.00 0.00 55.95 56.12 2x4t s SER 55 Cb -0.89 0.67 -0.00 0.00 -1.71 0.00 0.00 66.02 64.09 2x4t s SER 55 CO 0.52 -1.32 0.39 2.22 1.20 0.00 0.00 173.24 176.24 2x4t n PHE 56 N -0.51 -1.16 -3.51 3.44 1.16 -1.26 -1.33 117.46 114.29 2x4t n PHE 56 Ca -0.01 -2.27 0.00 0.00 -1.87 0.00 0.00 57.45 53.29 2x4t n PHE 56 Cb 0.61 0.43 0.00 0.00 -1.61 0.00 0.00 39.48 38.91 2x4t n PHE 56 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 2x4t n SER 57 N -1.72 1.53 0.20 5.98 7.64 -0.25 -4.91 113.62 122.10 2x4t n SER 57 Ca 0.03 -0.75 0.08 0.00 1.01 0.00 0.00 58.87 59.24 2x4t n SER 57 Cb 0.54 0.00 0.37 0.00 -1.01 0.00 0.00 64.21 64.11 2x4t n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2x4t h LYS 58 N 0.00 0.00 -0.64 1.43 3.64 -2.03 -2.50 116.57 116.47 2x4t h LYS 58 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2x4t h LYS 58 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2x4t h LYS 58 CO 0.00 0.29 0.00 -0.40 -2.27 0.00 0.00 179.45 177.07 2x4t n ASP 59 N -3.40 4.66 0.00 4.20 5.75 -1.26 -4.95 116.55 121.56 2x4t n ASP 59 Ca 0.00 -2.51 0.00 0.00 -0.01 0.00 0.00 54.79 52.27 2x4t n ASP 59 Cb 0.49 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 2x4t n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2x4t n TRP 60 N 0.93 0.00 -2.59 2.11 7.02 -0.94 -5.01 117.44 118.96 2x4t n TRP 60 Ca 0.24 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.32 2x4t n TRP 60 Cb 0.90 -0.12 -0.05 0.00 -2.42 0.00 0.00 31.31 29.62 2x4t n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2x4t s SER 61 N -3.15 7.40 0.91 -0.99 1.04 -1.26 -4.57 113.70 113.08 2x4t s SER 61 Ca 0.00 2.08 -0.14 0.00 0.48 0.00 0.00 55.95 58.37 2x4t s SER 61 Cb 0.00 -2.61 0.15 0.00 0.10 0.00 0.00 66.02 63.65 2x4t s SER 61 CO 0.00 -0.07 1.20 -0.36 0.98 0.00 0.00 173.24 174.98 2x4t s PHE 62 N -0.77 2.28 -0.01 5.02 0.08 -0.35 -1.09 117.98 123.13 2x4t s PHE 62 Ca 0.45 0.66 -0.16 0.00 0.12 0.00 0.00 56.93 58.00 2x4t s PHE 62 Cb -0.29 -3.61 0.03 0.00 -0.57 0.00 0.00 43.02 38.58 2x4t s PHE 62 CO 0.35 -2.36 0.35 1.52 -0.10 0.00 0.00 175.22 174.98 2x4t s TYR 63 N -3.51 -0.22 0.03 0.36 -0.85 -0.44 -2.06 117.35 110.66 2x4t s TYR 63 Ca 0.66 0.31 0.01 0.00 -0.52 0.00 0.00 57.07 57.53 2x4t s TYR 63 Cb -0.10 0.13 -0.02 0.00 0.38 0.00 0.00 41.96 42.34 2x4t s TYR 63 CO 0.52 -0.43 -0.05 -0.51 -1.52 0.00 0.00 175.55 173.57 2x4t s LEU 64 N -1.40 2.29 -0.18 -3.49 1.43 -0.63 -3.53 118.68 113.17 2x4t s LEU 64 Ca -0.12 -0.60 -0.00 0.00 -1.03 0.00 0.00 54.13 52.37 2x4t s LEU 64 Cb -0.04 0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.21 2x4t s LEU 64 CO 0.04 -0.32 -0.14 -0.22 0.23 0.00 0.00 176.35 175.94 2x4t s LEU 65 N -1.75 2.48 -0.15 1.79 2.96 -1.26 -2.40 118.68 120.35 2x4t s LEU 65 Ca -0.10 -0.50 -0.06 0.00 -0.22 0.00 0.00 54.13 53.25 2x4t s LEU 65 Cb -0.07 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 2x4t s LEU 65 CO -0.02 0.04 0.04 -0.31 -1.32 0.00 0.00 176.35 174.78 2x4t s TYR 66 N 1.09 3.23 0.08 5.38 2.02 0.12 -0.60 117.35 128.66 2x4t s TYR 66 Ca -0.00 0.08 -0.14 0.00 -0.37 0.00 0.00 57.07 56.64 2x4t s TYR 66 Cb -0.14 -1.99 0.02 0.00 -0.40 0.00 0.00 41.96 39.45 2x4t s TYR 66 CO -0.04 0.24 0.32 1.52 -1.57 0.00 0.00 175.55 176.01 2x4t s TYR 67 N -0.00 -0.10 -0.16 2.71 -0.85 -1.19 0.52 117.35 118.28 2x4t s TYR 67 Ca 0.05 -0.14 -0.21 0.00 -0.52 0.00 0.00 57.07 56.25 2x4t s TYR 67 Cb -0.12 0.12 0.05 0.00 0.38 0.00 0.00 41.96 42.39 2x4t s TYR 67 CO 0.01 -0.57 0.56 -0.08 -1.52 0.00 0.00 175.55 173.95 2x4t s THR 68 N -3.16 0.01 -0.67 -3.49 -1.32 -0.98 -1.76 115.64 104.27 2x4t s THR 68 Ca -0.01 -0.06 -0.27 0.00 -1.21 0.00 0.00 61.69 60.15 2x4t s THR 68 Cb 0.01 -0.80 0.03 0.00 -1.51 0.00 0.00 72.50 70.23 2x4t s THR 68 CO -0.07 -0.03 1.20 -0.70 -2.21 0.00 0.00 174.62 172.81 2x4t s GLU 69 N -0.14 3.29 0.30 7.08 2.12 -1.26 -1.33 118.70 128.75 2x4t s GLU 69 Ca -0.03 -0.14 0.09 0.00 0.36 0.00 0.00 54.97 55.24 2x4t s GLU 69 Cb -0.03 -4.13 -0.06 0.00 0.26 0.00 0.00 34.13 30.17 2x4t s GLU 69 CO 0.03 -1.94 -0.12 -0.59 -0.54 0.00 0.00 175.26 172.10 2x4t s PHE 70 N 5.24 2.20 -0.19 5.30 -0.00 0.14 -4.96 117.98 125.71 2x4t s PHE 70 Ca 0.36 -0.51 0.01 0.00 -0.00 0.00 0.00 56.93 56.79 2x4t s PHE 70 Cb -0.09 -1.16 0.04 0.00 -0.00 0.00 0.00 43.02 41.81 2x4t s PHE 70 CO 0.18 0.53 -0.11 0.99 -0.00 0.00 0.00 175.22 176.81 2x4t s THR 71 N -2.71 1.65 0.64 -4.49 2.01 -1.26 -0.04 115.64 111.44 2x4t s THR 71 Ca 0.30 -0.96 -0.16 0.00 0.31 0.00 0.00 61.69 61.18 2x4t s THR 71 Cb 0.00 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.81 2x4t s THR 71 CO 0.14 0.22 1.13 -2.84 -0.69 0.00 0.00 174.62 172.58 2x4t s PRO 72 N 1.40 2.86 0.21 4.92 0.02 -1.25 -4.83 135.00 138.34 2x4t s PRO 72 Ca -0.00 1.49 0.03 0.00 0.02 0.00 0.00 61.00 62.54 2x4t s PRO 72 Cb -0.16 -1.95 -0.01 0.00 0.02 0.00 0.00 34.50 32.40 2x4t s PRO 72 CO -0.09 -1.22 0.12 0.25 -0.33 0.00 0.00 177.00 175.74 2x4t n THR 73 N -2.17 0.00 0.07 0.99 -2.24 -1.26 -1.29 114.28 108.38 2x4t n THR 73 Ca 0.11 -1.37 -0.02 0.00 -2.27 0.00 0.00 64.05 60.50 2x4t n THR 73 Cb 0.51 0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 69.28 2x4t n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2x4t h GLU 74 N 0.00 0.00 -0.01 -0.78 4.81 -1.97 -3.37 114.58 113.26 2x4t h GLU 74 Ca -0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2x4t h GLU 74 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2x4t h GLU 74 CO 0.24 0.55 -0.10 1.63 -0.73 0.00 0.00 179.01 180.60 2x4t n LYS 75 N -3.13 1.23 -2.75 1.92 5.02 -1.26 -4.99 118.16 114.20 2x4t n LYS 75 Ca -0.04 -0.98 -0.40 0.00 -2.02 0.00 0.00 58.31 54.87 2x4t n LYS 75 Cb 0.85 -1.19 -0.06 0.00 -0.02 0.00 0.00 35.03 34.62 2x4t n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2x4t s ASP 76 N -1.20 7.61 -0.17 4.39 1.01 -1.26 -5.05 116.67 122.00 2x4t s ASP 76 Ca 0.12 1.90 -0.01 0.00 0.71 0.00 0.00 52.55 55.28 2x4t s ASP 76 Cb 0.10 -2.60 -0.00 0.00 1.01 0.00 0.00 42.92 41.42 2x4t s ASP 76 CO 0.21 0.10 -0.13 -1.61 0.21 0.00 0.00 175.17 173.94 2x4t s GLU 77 N -0.86 3.24 0.15 8.23 2.02 -1.26 -4.84 118.70 125.38 2x4t s GLU 77 Ca 0.43 -0.73 0.08 0.00 0.02 0.00 0.00 54.97 54.77 2x4t s GLU 77 Cb -0.25 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 2x4t s GLU 77 CO 0.31 -0.05 -0.11 0.71 0.02 0.00 0.00 175.26 176.15 2x4t s TYR 78 N 0.99 2.65 0.14 1.61 2.02 -1.26 0.16 117.35 123.67 2x4t s TYR 78 Ca -0.02 -0.21 -0.15 0.00 -0.37 0.00 0.00 57.07 56.32 2x4t s TYR 78 Cb -0.15 -1.34 0.03 0.00 -0.40 0.00 0.00 41.96 40.10 2x4t s TYR 78 CO -0.02 0.47 0.41 0.00 -1.57 0.00 0.00 175.55 174.84 2x4t s ALA 79 N -1.49 -0.82 0.00 3.71 0.00 -0.77 -0.83 121.76 121.57 2x4t s ALA 79 Ca 0.23 -0.18 0.07 0.00 0.00 0.00 0.00 51.96 52.08 2x4t s ALA 79 Cb -0.10 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.73 2x4t s ALA 79 CO 0.14 -0.67 -0.20 0.00 0.00 0.00 0.00 175.76 175.03 2x4t s ARG 81 N -1.03 1.24 -0.00 0.00 3.52 0.67 0.21 118.95 123.57 2x4t s ARG 81 Ca 0.12 -0.25 0.05 0.00 -0.13 0.00 0.00 55.73 55.52 2x4t s ARG 81 Cb -0.10 -1.10 -0.01 0.00 -1.56 0.00 0.00 34.95 32.17 2x4t s ARG 81 CO 0.02 -0.03 -0.15 0.08 -0.81 0.00 0.00 175.30 174.41 2x4t s VAL 82 N 0.78 1.19 -0.04 7.11 1.01 -0.70 -0.37 120.40 129.38 2x4t s VAL 82 Ca -0.13 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.19 2x4t s VAL 82 Cb -0.15 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 2x4t s VAL 82 CO 0.02 0.29 -0.19 0.21 0.00 0.00 0.00 175.10 175.43 2x4t s ASN 83 N -0.48 2.37 0.21 3.32 3.84 -0.29 -0.43 114.94 123.48 2x4t s ASN 83 Ca 0.05 -0.39 -0.04 0.00 0.21 0.00 0.00 52.86 52.70 2x4t s ASN 83 Cb -0.06 -0.59 -0.03 0.00 -0.55 0.00 0.00 41.25 40.01 2x4t s ASN 83 CO -0.00 0.19 0.21 -2.28 -2.79 0.00 0.00 177.10 172.42 2x4t s HIS 84 N -0.09 0.95 0.30 0.43 5.65 -1.26 -1.22 115.29 120.05 2x4t s HIS 84 Ca -0.02 -1.21 0.19 0.00 0.25 0.00 0.00 55.06 54.27 2x4t s HIS 84 Cb -0.11 -0.37 0.90 0.00 -1.18 0.00 0.00 32.58 31.81 2x4t s HIS 84 CO 0.02 -0.72 1.85 -0.24 -0.65 0.00 0.00 174.74 175.00 2x4t h VAL 85 N 2.54 0.92 -0.12 0.89 3.04 -1.94 -2.24 116.25 119.34 2x4t h VAL 85 Ca -0.34 -1.18 0.00 0.00 -1.01 0.00 0.00 66.70 64.18 2x4t h VAL 85 Cb 1.25 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 32.22 2x4t h VAL 85 CO 0.49 0.30 0.00 0.35 -1.01 0.00 0.00 177.57 177.70 2x4t n THR 86 N -3.74 0.16 -4.02 3.17 -2.24 -1.26 -4.69 114.28 101.66 2x4t n THR 86 Ca -0.01 -0.19 -0.33 0.00 -2.27 0.00 0.00 64.05 61.24 2x4t n THR 86 Cb 0.40 0.07 -0.15 0.00 -2.10 0.00 0.00 70.33 68.55 2x4t n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2x4t s LEU 87 N -1.29 3.35 0.06 3.22 1.43 -0.84 -4.95 118.68 119.65 2x4t s LEU 87 Ca 0.21 -1.20 0.04 0.00 -1.03 0.00 0.00 54.13 52.15 2x4t s LEU 87 Cb 0.10 -1.59 0.23 0.00 0.03 0.00 0.00 46.19 44.96 2x4t s LEU 87 CO 0.16 -0.17 1.14 -1.54 0.23 0.00 0.00 176.35 176.16 2x4t n SER 88 N 4.53 0.10 -3.50 2.29 3.41 -1.26 -4.62 113.62 114.57 2x4t n SER 88 Ca -0.15 0.55 -0.10 0.00 -0.26 0.00 0.00 58.87 58.91 2x4t n SER 88 Cb 0.44 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 2x4t n SER 88 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2x4t s GLN 89 N -3.10 0.85 0.17 4.33 0.74 -1.26 -5.14 119.66 116.26 2x4t s GLN 89 Ca -0.00 -0.24 -0.33 0.00 0.05 0.00 0.00 55.36 54.84 2x4t s GLN 89 Cb 0.01 0.39 -0.14 0.00 1.10 0.00 0.00 33.01 34.38 2x4t s GLN 89 CO 0.05 -0.36 1.52 -2.30 -0.55 0.00 0.00 175.29 173.65 2x4t n PRO 90 N -0.08 2.05 -3.57 1.67 -0.02 -1.26 -4.87 135.00 128.91 2x4t n PRO 90 Ca -0.10 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 2x4t n PRO 90 Cb 0.61 -2.47 -0.11 0.00 -0.02 0.00 0.00 33.50 31.52 2x4t n PRO 90 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2x4t s LYS 91 N 0.56 2.91 -0.03 -0.52 1.02 0.42 -4.92 119.74 119.18 2x4t s LYS 91 Ca 0.77 -1.03 -0.16 0.00 0.02 0.00 0.00 55.97 55.57 2x4t s LYS 91 Cb -0.69 -3.78 -0.05 0.00 -0.52 0.00 0.00 37.83 32.79 2x4t s LYS 91 CO 0.41 -0.68 0.44 0.42 -0.92 0.00 0.00 175.35 175.02 2x4t s ILE 92 N 1.59 5.05 -0.17 2.17 1.09 -1.26 -1.71 121.20 127.95 2x4t s ILE 92 Ca 0.03 0.89 -0.01 0.00 -1.10 0.00 0.00 60.65 60.47 2x4t s ILE 92 Cb -0.19 -3.75 0.04 0.00 -1.06 0.00 0.00 42.46 37.50 2x4t s ILE 92 CO 0.07 0.51 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.68 2x4t s VAL 93 N -0.59 1.11 0.36 2.92 1.01 0.13 -4.97 120.40 120.37 2x4t s VAL 93 Ca 0.24 -0.66 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 2x4t s VAL 93 Cb -0.16 -1.30 -0.09 0.00 0.00 0.00 0.00 36.38 34.82 2x4t s VAL 93 CO 0.13 0.10 1.22 -0.54 0.00 0.00 0.00 175.10 176.01 2x4t s LYS 94 N 1.63 4.22 -0.71 2.72 1.02 -1.26 -0.53 119.74 126.83 2x4t s LYS 94 Ca 0.00 2.00 -0.25 0.00 0.02 0.00 0.00 55.97 57.74 2x4t s LYS 94 Cb -0.15 -2.89 0.05 0.00 -0.52 0.00 0.00 37.83 34.31 2x4t s LYS 94 CO -0.08 -0.22 1.16 -0.46 -0.92 0.00 0.00 175.35 174.83 2x4t s TRP 95 N -1.27 2.44 -1.13 3.18 -0.00 -0.01 -4.85 118.94 117.30 2x4t s TRP 95 Ca 0.53 -0.26 -0.17 0.00 -0.00 0.00 0.00 56.10 56.20 2x4t s TRP 95 Cb -0.35 -4.50 0.13 0.00 -0.00 0.00 0.00 33.47 28.75 2x4t s TRP 95 CO 0.45 -1.91 1.41 0.34 -0.00 0.00 0.00 176.95 177.24 2x4t s ASP 96 N 3.73 6.85 0.52 5.86 -1.08 -1.26 -4.77 116.67 126.52 2x4t s ASP 96 Ca 0.30 -2.47 0.24 0.00 -0.52 0.00 0.00 52.55 50.09 2x4t s ASP 96 Cb -0.11 -2.45 1.36 0.00 -1.46 0.00 0.00 42.92 40.26 2x4t s ASP 96 CO 0.13 -0.99 2.00 0.08 0.52 0.00 0.00 175.17 176.91 2x4t h ARG 97 N 7.97 0.03 -0.02 4.34 0.11 -1.92 -3.49 114.38 121.39 2x4t h ARG 97 Ca 0.28 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.36 2x4t h ARG 97 Cb 0.93 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.00 2x4t h ARG 97 CO 1.27 0.02 0.00 -3.47 0.10 0.00 0.00 179.97 177.88