#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1im3 s ILE 1 N 0.00 4.34 0.10 1.12 1.09 -1.26 -5.09 121.20 121.50 1im3 s ILE 1 Ca 0.00 -0.17 0.07 0.00 -1.10 0.00 0.00 60.65 59.45 1im3 s ILE 1 Cb 0.00 -3.00 -0.04 0.00 -1.06 0.00 0.00 42.46 38.36 1im3 s ILE 1 CO 0.00 0.38 -0.09 -1.10 -0.10 0.00 0.00 174.94 174.03 1im3 s GLN 2 N 1.24 2.16 -0.02 2.79 -0.21 -1.26 -4.70 119.66 119.65 1im3 s GLN 2 Ca 0.04 -1.01 -0.01 0.00 0.02 0.00 0.00 55.36 54.40 1im3 s GLN 2 Cb -0.14 -2.32 0.01 0.00 1.00 0.00 0.00 33.01 31.56 1im3 s GLN 2 CO 0.03 0.51 0.05 1.03 -2.12 0.00 0.00 175.29 174.78 1im3 s ARG 3 N -2.21 0.02 0.33 2.91 0.52 -0.04 -4.93 118.95 115.55 1im3 s ARG 3 Ca 0.22 0.12 -0.24 0.00 -0.52 0.00 0.00 55.73 55.31 1im3 s ARG 3 Cb -0.11 -0.08 -0.10 0.00 0.52 0.00 0.00 34.95 35.18 1im3 s ARG 3 CO 0.14 -0.07 0.91 -0.08 0.02 0.00 0.00 175.30 176.22 1im3 s THR 4 N 0.45 4.31 0.38 0.02 -1.32 -1.26 -1.76 115.64 116.47 1im3 s THR 4 Ca -0.04 1.65 -0.27 0.00 -1.21 0.00 0.00 61.69 61.83 1im3 s THR 4 Cb -0.05 -3.89 -0.09 0.00 -1.51 0.00 0.00 72.50 66.96 1im3 s THR 4 CO -0.01 0.04 1.28 -2.84 -2.21 0.00 0.00 174.62 170.88 1im3 s PRO 5 N -2.32 4.12 0.14 7.08 0.02 -1.26 -4.37 135.00 138.41 1im3 s PRO 5 Ca 0.52 2.12 -0.07 0.00 0.02 0.00 0.00 61.00 63.59 1im3 s PRO 5 Cb -0.16 -2.86 -0.06 0.00 0.02 0.00 0.00 34.50 31.45 1im3 s PRO 5 CO 0.21 -0.35 0.42 0.15 -0.33 0.00 0.00 177.00 177.09 1im3 s LYS 6 N -2.09 3.70 -0.04 5.54 1.02 0.25 -4.92 119.74 123.20 1im3 s LYS 6 Ca 0.54 0.06 0.01 0.00 0.02 0.00 0.00 55.97 56.60 1im3 s LYS 6 Cb -0.37 -2.85 0.02 0.00 -0.52 0.00 0.00 37.83 34.11 1im3 s LYS 6 CO 0.48 0.46 -0.03 0.42 -0.92 0.00 0.00 175.35 175.77 1im3 s ILE 7 N -1.62 0.41 -0.05 2.17 1.01 -1.26 -2.16 121.20 119.71 1im3 s ILE 7 Ca 0.40 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 61.00 1im3 s ILE 7 Cb -0.12 -0.45 0.02 0.00 0.01 0.00 0.00 42.46 41.91 1im3 s ILE 7 CO 0.22 0.19 -0.07 -1.10 0.00 0.00 0.00 174.94 174.18 1im3 s GLN 8 N 0.86 1.11 -0.13 2.79 -0.21 -0.57 -4.98 119.66 118.52 1im3 s GLN 8 Ca -0.10 -0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.07 1im3 s GLN 8 Cb -0.13 -1.02 -0.01 0.00 1.00 0.00 0.00 33.01 32.84 1im3 s GLN 8 CO -0.00 -0.05 -0.15 0.08 -2.12 0.00 0.00 175.29 173.05 1im3 s VAL 9 N 0.84 2.83 0.23 1.09 1.01 -1.26 -0.21 120.40 124.91 1im3 s VAL 9 Ca -0.12 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 60.91 1im3 s VAL 9 Cb -0.15 -2.18 0.07 0.00 0.00 0.00 0.00 36.38 34.12 1im3 s VAL 9 CO 0.01 0.52 0.95 -0.72 0.00 0.00 0.00 175.10 175.86 1im3 s TYR 10 N 0.50 0.01 0.18 5.22 1.13 -0.39 -4.59 117.35 119.40 1im3 s TYR 10 Ca -0.10 -0.45 0.06 0.00 -1.41 0.00 0.00 57.07 55.16 1im3 s TYR 10 Cb -0.16 0.72 -0.04 0.00 -1.10 0.00 0.00 41.96 41.38 1im3 s TYR 10 CO 0.04 -1.06 0.11 -1.54 -2.51 0.00 0.00 175.55 170.60 1im3 s SER 11 N -3.18 5.33 0.10 -0.18 1.04 -1.26 0.35 113.70 115.90 1im3 s SER 11 Ca 0.17 -0.21 -0.17 0.00 0.48 0.00 0.00 55.95 56.22 1im3 s SER 11 Cb -0.03 -1.33 -0.06 0.00 0.10 0.00 0.00 66.02 64.70 1im3 s SER 11 CO 0.06 0.06 1.56 -0.09 0.98 0.00 0.00 173.24 175.81 1im3 h ARG 12 N 2.38 0.51 -6.18 4.02 2.43 -1.38 -3.45 114.38 112.72 1im3 h ARG 12 Ca -0.47 -0.15 -0.59 0.00 -0.81 0.00 0.00 59.98 57.95 1im3 h ARG 12 Cb 1.21 -0.05 -0.12 0.00 -0.42 0.00 0.00 29.97 30.58 1im3 h ARG 12 CO 0.62 0.64 -0.70 -1.01 -1.51 0.00 0.00 179.97 178.00 1im3 s HIS 13 N -5.08 2.46 0.17 2.20 3.76 -1.26 -5.04 115.29 112.49 1im3 s HIS 13 Ca -0.13 -0.31 -0.34 0.00 -0.15 0.00 0.00 55.06 54.13 1im3 s HIS 13 Cb 0.08 -1.12 -0.15 0.00 1.11 0.00 0.00 32.58 32.51 1im3 s HIS 13 CO 0.76 0.66 1.43 -2.30 -0.85 0.00 0.00 174.74 174.44 1im3 n PRO 14 N -0.75 1.80 -1.97 8.40 -0.02 -1.26 -4.86 135.00 136.33 1im3 n PRO 14 Ca -0.05 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 1im3 n PRO 14 Cb 0.60 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 1im3 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1im3 s ALA 15 N 0.43 3.71 -0.23 3.55 0.00 -1.26 -5.01 121.76 122.95 1im3 s ALA 15 Ca 0.76 1.35 -0.03 0.00 0.00 0.00 0.00 51.96 54.04 1im3 s ALA 15 Cb -0.75 -3.60 0.10 0.00 0.00 0.00 0.00 23.12 18.88 1im3 s ALA 15 CO 0.45 -0.76 0.23 -1.21 0.00 0.00 0.00 175.76 174.46 1im3 s GLU 16 N 0.57 0.22 0.08 0.00 2.02 -1.26 -5.12 118.70 115.22 1im3 s GLU 16 Ca 0.66 0.07 -0.36 0.00 0.02 0.00 0.00 54.97 55.36 1im3 s GLU 16 Cb -0.43 -1.08 -0.18 0.00 0.10 0.00 0.00 34.13 32.54 1im3 s GLU 16 CO 0.36 -0.77 1.06 0.09 0.02 0.00 0.00 175.26 176.02 1im3 n ASN 17 N 5.31 0.40 0.00 -0.19 3.02 -1.26 -0.37 115.26 122.17 1im3 n ASN 17 Ca -0.05 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.65 1im3 n ASN 17 Cb 0.48 -1.04 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 1im3 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1im3 n GLY 18 N 1.87 3.17 3.69 7.41 0.00 -0.71 -5.00 105.19 115.63 1im3 n GLY 18 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1im3 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1im3 s LYS 19 N -0.45 4.21 0.28 1.61 -0.14 0.50 -4.99 119.74 120.75 1im3 s LYS 19 Ca 0.00 0.15 -0.29 0.00 -1.36 0.00 0.00 55.97 54.46 1im3 s LYS 19 Cb 0.00 -3.49 -0.10 0.00 -1.68 0.00 0.00 37.83 32.56 1im3 s LYS 19 CO 0.00 0.08 1.35 -1.54 -0.76 0.00 0.00 175.35 174.48 1im3 s SER 20 N 0.81 6.76 0.00 2.83 1.04 -1.26 -4.12 113.70 119.76 1im3 s SER 20 Ca 0.18 2.63 0.00 0.00 0.48 0.00 0.00 55.95 59.24 1im3 s SER 20 Cb -0.14 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1im3 s SER 20 CO 0.06 -0.59 0.00 -3.20 0.98 0.00 0.00 173.24 170.50 1im3 n ASN 21 N 1.60 0.00 -3.79 7.02 2.85 0.17 -4.99 115.26 118.11 1im3 n ASN 21 Ca 0.03 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.33 1im3 n ASN 21 Cb 0.41 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.27 1im3 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1im3 s PHE 22 N -0.93 0.28 -0.19 1.20 0.40 -1.26 -1.81 117.98 115.66 1im3 s PHE 22 Ca 0.00 0.03 -0.15 0.00 -0.60 0.00 0.00 56.93 56.21 1im3 s PHE 22 Cb 0.00 -0.43 -0.04 0.00 0.51 0.00 0.00 43.02 43.06 1im3 s PHE 22 CO 0.00 -0.15 0.35 -1.17 0.70 0.00 0.00 175.22 174.95 1im3 s LEU 23 N 1.22 4.18 0.08 -0.37 2.96 0.36 -0.86 118.68 126.25 1im3 s LEU 23 Ca -0.07 0.48 0.08 0.00 -0.22 0.00 0.00 54.13 54.41 1im3 s LEU 23 Cb -0.13 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 1im3 s LEU 23 CO -0.02 -0.01 -0.19 0.20 -1.32 0.00 0.00 176.35 175.01 1im3 s ASN 24 N 0.86 3.77 -0.20 3.68 0.01 0.16 -1.71 114.94 121.51 1im3 s ASN 24 Ca 0.17 -0.50 -0.02 0.00 -0.71 0.00 0.00 52.86 51.79 1im3 s ASN 24 Cb -0.14 -0.55 0.06 0.00 0.41 0.00 0.00 41.25 41.03 1im3 s ASN 24 CO 0.06 0.22 0.03 0.00 -1.51 0.00 0.00 177.10 175.90 1im3 s TYR 26 N 1.81 3.17 -0.10 0.00 5.04 0.70 -0.88 117.35 127.08 1im3 s TYR 26 Ca -0.01 -0.14 0.01 0.00 -2.44 0.00 0.00 57.07 54.49 1im3 s TYR 26 Cb -0.17 -2.33 -0.02 0.00 0.35 0.00 0.00 41.96 39.79 1im3 s TYR 26 CO -0.08 -0.26 -0.14 0.14 -1.34 0.00 0.00 175.55 173.86 1im3 s VAL 27 N 1.70 3.00 0.27 3.14 -7.23 -0.62 -1.51 120.40 119.16 1im3 s VAL 27 Ca 0.07 -0.70 -0.11 0.00 -1.81 0.00 0.00 61.98 59.43 1im3 s VAL 27 Cb -0.16 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.56 1im3 s VAL 27 CO 0.08 0.55 0.49 -0.94 -0.31 0.00 0.00 175.10 174.97 1im3 s SER 28 N -0.03 0.12 -1.85 4.85 1.04 -0.92 -0.50 113.70 116.41 1im3 s SER 28 Ca -0.03 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.33 1im3 s SER 28 Cb -0.14 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1im3 s SER 28 CO 0.04 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.67 1im3 n GLY 29 N -0.42 1.42 3.88 7.32 0.00 -0.37 -0.58 105.19 116.43 1im3 n GLY 29 Ca -0.01 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1im3 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1im3 s PHE 30 N -2.71 3.03 -0.29 1.61 -0.71 -1.17 -4.37 117.98 113.37 1im3 s PHE 30 Ca 0.00 -0.23 -0.18 0.00 -1.04 0.00 0.00 56.93 55.48 1im3 s PHE 30 Cb 0.00 -1.73 0.14 0.00 -1.21 0.00 0.00 43.02 40.22 1im3 s PHE 30 CO 0.00 0.24 1.01 -1.58 -1.34 0.00 0.00 175.22 173.55 1im3 s HIS 31 N -2.22 -0.52 1.32 3.49 2.46 -0.72 -0.47 115.29 118.62 1im3 s HIS 31 Ca 0.39 1.09 -0.22 0.00 0.47 0.00 0.00 55.06 56.79 1im3 s HIS 31 Cb -0.07 0.35 0.33 0.00 -0.13 0.00 0.00 32.58 33.05 1im3 s HIS 31 CO 0.27 -0.26 1.04 -2.14 -2.47 0.00 0.00 174.74 171.19 1im3 s PRO 32 N 1.03 -2.12 0.43 2.88 0.02 -1.26 -0.86 135.00 135.12 1im3 s PRO 32 Ca -0.06 -0.08 0.23 0.00 0.02 0.00 0.00 61.00 61.12 1im3 s PRO 32 Cb -0.04 -1.49 0.48 0.00 0.02 0.00 0.00 34.50 33.47 1im3 s PRO 32 CO -0.13 -4.30 1.65 0.66 -0.33 0.00 0.00 177.00 174.55 1im3 h SER 33 N -3.00 0.00 -2.59 2.53 4.64 -1.99 -3.46 113.55 109.68 1im3 h SER 33 Ca -0.42 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.37 1im3 h SER 33 Cb 1.31 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.45 1im3 h SER 33 CO 0.28 0.09 1.00 0.47 -0.87 0.00 0.00 176.83 177.81 1im3 n ASP 34 N -3.14 3.91 -3.53 4.97 8.00 -1.26 -4.95 116.55 120.55 1im3 n ASP 34 Ca 0.03 1.06 -0.16 0.00 0.71 0.00 0.00 54.79 56.42 1im3 n ASP 34 Cb 0.52 -1.56 -0.06 0.00 -0.02 0.00 0.00 41.12 40.01 1im3 n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1im3 s ILE 35 N 1.31 0.00 -0.15 0.53 2.07 -1.26 -4.70 121.20 118.99 1im3 s ILE 35 Ca 0.76 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 60.00 1im3 s ILE 35 Cb -0.52 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.06 1im3 s ILE 35 CO 0.33 0.00 -0.14 -1.61 -1.91 0.00 0.00 174.94 171.61 1im3 s GLU 36 N -1.13 3.25 -0.08 3.50 2.02 -0.43 -4.99 118.70 120.83 1im3 s GLU 36 Ca -0.09 -0.73 -0.01 0.00 0.02 0.00 0.00 54.97 54.16 1im3 s GLU 36 Cb -0.00 -2.64 0.03 0.00 0.10 0.00 0.00 34.13 31.61 1im3 s GLU 36 CO 0.08 0.04 -0.04 0.08 0.02 0.00 0.00 175.26 175.44 1im3 s VAL 37 N 0.77 0.65 -0.01 2.63 1.01 -1.26 -0.78 120.40 123.41 1im3 s VAL 37 Ca -0.06 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 61.91 1im3 s VAL 37 Cb -0.15 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 1im3 s VAL 37 CO 0.01 0.29 -0.21 -1.81 0.00 0.00 0.00 175.10 173.38 1im3 s ASP 38 N 1.67 2.44 -0.15 3.32 1.01 -0.04 -4.98 116.67 119.94 1im3 s ASP 38 Ca 0.02 -0.39 -0.12 0.00 0.71 0.00 0.00 52.55 52.76 1im3 s ASP 38 Cb -0.13 -0.26 -0.05 0.00 1.01 0.00 0.00 42.92 43.49 1im3 s ASP 38 CO -0.05 0.24 0.25 -0.76 0.21 0.00 0.00 175.17 175.06 1im3 s LEU 39 N -0.58 4.27 0.00 1.23 1.43 -1.26 -0.77 118.68 123.01 1im3 s LEU 39 Ca 0.08 0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.71 1im3 s LEU 39 Cb -0.08 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 1im3 s LEU 39 CO -0.00 0.17 -0.12 -0.76 0.23 0.00 0.00 176.35 175.87 1im3 s LEU 40 N 0.13 2.90 -0.23 1.79 1.43 0.10 -0.35 118.68 124.45 1im3 s LEU 40 Ca 0.15 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1im3 s LEU 40 Cb -0.13 -1.66 0.06 0.00 0.03 0.00 0.00 46.19 44.48 1im3 s LEU 40 CO 0.04 0.29 -0.09 -0.75 0.23 0.00 0.00 176.35 176.07 1im3 s LYS 41 N -1.26 1.95 -1.46 1.70 2.20 0.80 -1.79 119.74 121.88 1im3 s LYS 41 Ca 0.15 -1.07 -0.11 0.00 -0.36 0.00 0.00 55.97 54.58 1im3 s LYS 41 Cb -0.11 -2.65 0.06 0.00 -1.51 0.00 0.00 37.83 33.62 1im3 s LYS 41 CO 0.05 -0.54 0.99 0.09 -0.36 0.00 0.00 175.35 175.58 1im3 n ASN 42 N 4.59 -4.59 0.00 1.43 3.02 0.13 -0.94 115.26 118.90 1im3 n ASN 42 Ca -0.13 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 1im3 n ASN 42 Cb 0.44 -4.18 0.00 0.00 -0.61 0.00 0.00 39.78 35.43 1im3 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1im3 n GLY 43 N -1.73 2.55 3.75 7.41 0.00 -1.26 -5.01 105.19 110.90 1im3 n GLY 43 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1im3 n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1im3 s GLU 44 N -0.08 3.73 0.19 1.61 2.12 -0.12 -5.00 118.70 121.15 1im3 s GLU 44 Ca 0.00 -0.24 -0.32 0.00 0.36 0.00 0.00 54.97 54.77 1im3 s GLU 44 Cb 0.00 -3.21 -0.12 0.00 0.26 0.00 0.00 34.13 31.06 1im3 s GLU 44 CO 0.00 0.51 1.71 -2.13 -0.54 0.00 0.00 175.26 174.82 1im3 n ARG 45 N 2.81 2.68 -3.00 4.30 0.63 -1.26 -0.14 116.66 122.68 1im3 n ARG 45 Ca -0.18 0.97 -0.40 0.00 -0.92 0.00 0.00 57.85 57.32 1im3 n ARG 45 Cb 0.53 -2.81 -0.05 0.00 0.45 0.00 0.00 32.46 30.58 1im3 n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1im3 s ILE 46 N 1.31 4.72 -0.04 5.15 1.01 0.53 -4.87 121.20 129.01 1im3 s ILE 46 Ca 0.76 1.60 -0.21 0.00 0.00 0.00 0.00 60.65 62.81 1im3 s ILE 46 Cb -0.53 -4.10 -0.32 0.00 0.01 0.00 0.00 42.46 37.52 1im3 s ILE 46 CO 0.34 0.38 0.90 -0.33 0.00 0.00 0.00 174.94 176.23 1im3 h GLU 47 N 5.54 0.34 -4.94 2.79 5.08 -1.93 -3.41 114.58 118.05 1im3 h GLU 47 Ca -0.44 -0.59 -0.73 0.00 -1.00 0.00 0.00 59.36 56.60 1im3 h GLU 47 Cb 1.20 0.22 -0.16 0.00 0.50 0.00 0.00 28.75 30.51 1im3 h GLU 47 CO 0.70 1.28 1.50 0.21 -1.00 0.00 0.00 179.01 181.70 1im3 s LYS 48 N -2.46 4.07 -0.16 2.33 2.20 -1.26 -4.95 119.74 119.51 1im3 s LYS 48 Ca -0.13 -2.48 0.01 0.00 -0.36 0.00 0.00 55.97 53.01 1im3 s LYS 48 Cb 0.02 -5.14 0.01 0.00 -1.51 0.00 0.00 37.83 31.20 1im3 s LYS 48 CO 0.85 -1.85 -0.18 0.08 -0.36 0.00 0.00 175.35 173.89 1im3 s VAL 49 N 2.04 2.40 0.34 4.02 1.01 -1.26 -4.66 120.40 124.28 1im3 s VAL 49 Ca 0.45 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.65 1im3 s VAL 49 Cb -0.02 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1im3 s VAL 49 CO 0.01 0.53 0.28 -1.61 0.00 0.00 0.00 175.10 174.30 1im3 s GLU 50 N 0.93 2.68 0.03 2.72 2.02 -0.37 -4.92 118.70 121.79 1im3 s GLU 50 Ca -0.04 -1.32 -0.11 0.00 0.02 0.00 0.00 54.97 53.52 1im3 s GLU 50 Cb -0.15 -2.44 0.01 0.00 0.10 0.00 0.00 34.13 31.65 1im3 s GLU 50 CO -0.03 0.10 0.24 -3.38 0.02 0.00 0.00 175.26 172.20 1im3 s HIS 51 N -2.32 -0.02 1.02 1.61 -3.43 -1.26 -0.27 115.29 110.62 1im3 s HIS 51 Ca 0.41 -0.14 -0.13 0.00 -0.80 0.00 0.00 55.06 54.39 1im3 s HIS 51 Cb -0.05 0.02 0.20 0.00 -1.43 0.00 0.00 32.58 31.31 1im3 s HIS 51 CO 0.26 -0.44 1.11 -1.54 -2.00 0.00 0.00 174.74 172.13 1im3 s SER 52 N -1.96 2.50 0.09 7.38 1.04 -0.37 -4.97 113.70 117.41 1im3 s SER 52 Ca -0.06 1.05 -0.30 0.00 0.48 0.00 0.00 55.95 57.11 1im3 s SER 52 Cb -0.02 -1.64 -0.05 0.00 0.10 0.00 0.00 66.02 64.41 1im3 s SER 52 CO -0.03 -3.19 1.01 -1.81 0.98 0.00 0.00 173.24 170.21 1im3 s ASP 53 N -3.63 7.39 0.12 7.02 1.01 -1.26 -4.73 116.67 122.59 1im3 s ASP 53 Ca 0.66 1.83 -0.35 0.00 0.71 0.00 0.00 52.55 55.40 1im3 s ASP 53 Cb -0.17 -2.59 -0.16 0.00 1.01 0.00 0.00 42.92 41.02 1im3 s ASP 53 CO 0.57 -0.18 1.41 -0.11 0.21 0.00 0.00 175.17 177.07 1im3 n LEU 54 N 3.10 2.18 -4.09 1.23 7.94 -1.26 -4.95 117.00 121.14 1im3 n LEU 54 Ca 0.04 1.11 -0.13 0.00 -1.11 0.00 0.00 56.01 55.91 1im3 n LEU 54 Cb 0.49 -1.28 -0.05 0.00 0.53 0.00 0.00 43.42 43.11 1im3 n LEU 54 CO 0.52 -0.79 0.10 -0.55 -1.11 0.00 0.00 177.39 175.57 1im3 s SER 55 N 0.59 0.65 0.16 1.96 0.15 -1.24 -5.06 113.70 110.91 1im3 s SER 55 Ca 0.81 -1.37 -0.12 0.00 0.70 0.00 0.00 55.95 55.97 1im3 s SER 55 Cb -0.84 0.62 0.01 0.00 -1.71 0.00 0.00 66.02 64.09 1im3 s SER 55 CO 0.44 -1.21 0.36 0.72 1.20 0.00 0.00 173.24 174.74 1im3 s PHE 56 N -3.37 0.16 0.64 3.44 -0.12 -1.26 -2.00 117.98 115.47 1im3 s PHE 56 Ca 0.30 -0.52 0.00 0.00 -0.05 0.00 0.00 56.93 56.66 1im3 s PHE 56 Cb 0.00 0.11 0.13 0.00 -0.63 0.00 0.00 43.02 42.63 1im3 s PHE 56 CO 0.17 -0.76 0.87 0.43 -0.05 0.00 0.00 175.22 175.89 1im3 n SER 57 N -0.24 1.20 -0.26 1.98 7.64 0.13 -4.92 113.62 119.16 1im3 n SER 57 Ca -0.10 -2.01 0.05 0.00 1.01 0.00 0.00 58.87 57.83 1im3 n SER 57 Cb 0.63 -0.56 0.19 0.00 -1.01 0.00 0.00 64.21 63.45 1im3 n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1im3 h LYS 58 N 0.00 0.43 -0.08 1.43 1.63 -2.03 0.17 116.57 118.13 1im3 h LYS 58 Ca -0.29 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 1im3 h LYS 58 Cb 1.07 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 1im3 h LYS 58 CO 0.31 0.28 0.00 -0.40 -3.45 0.00 0.00 179.45 176.20 1im3 n ASP 59 N -5.00 0.08 0.00 4.20 5.75 -1.26 -4.87 116.55 115.44 1im3 n ASP 59 Ca 0.14 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 1im3 n ASP 59 Cb 0.42 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1im3 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1im3 n TRP 60 N -0.46 0.00 -2.69 2.11 7.02 0.05 -5.01 117.44 118.46 1im3 n TRP 60 Ca 0.00 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.13 1im3 n TRP 60 Cb 0.02 -0.34 -0.05 0.00 -2.42 0.00 0.00 31.31 28.51 1im3 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1im3 s SER 61 N -2.77 6.92 0.47 -0.99 1.04 -1.26 -4.68 113.70 112.44 1im3 s SER 61 Ca 0.00 1.87 -0.06 0.00 0.48 0.00 0.00 55.95 58.24 1im3 s SER 61 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 1im3 s SER 61 CO 0.00 -0.37 0.79 -0.36 0.98 0.00 0.00 173.24 174.28 1im3 s PHE 62 N -1.83 3.55 -0.08 5.02 0.08 0.38 -0.70 117.98 124.41 1im3 s PHE 62 Ca 0.58 0.86 -0.12 0.00 0.12 0.00 0.00 56.93 58.37 1im3 s PHE 62 Cb -0.17 -2.33 0.03 0.00 -0.57 0.00 0.00 43.02 39.98 1im3 s PHE 62 CO 0.22 -0.26 0.31 1.52 -0.10 0.00 0.00 175.22 176.90 1im3 s TYR 63 N -2.70 -0.27 0.00 0.36 -0.85 -0.85 -1.23 117.35 111.82 1im3 s TYR 63 Ca 0.48 0.60 -0.05 0.00 -0.52 0.00 0.00 57.07 57.59 1im3 s TYR 63 Cb -0.10 0.10 -0.00 0.00 0.38 0.00 0.00 41.96 42.34 1im3 s TYR 63 CO 0.43 -0.25 0.09 -0.51 -1.52 0.00 0.00 175.55 173.79 1im3 s LEU 64 N -0.41 1.74 -0.20 -3.49 1.43 0.35 -3.68 118.68 114.41 1im3 s LEU 64 Ca -0.05 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1im3 s LEU 64 Cb -0.04 0.49 0.00 0.00 0.03 0.00 0.00 46.19 46.68 1im3 s LEU 64 CO 0.02 -0.32 -0.10 -0.22 0.23 0.00 0.00 176.35 175.96 1im3 s LEU 65 N -1.26 2.63 -0.12 1.79 2.96 -1.26 -1.59 118.68 121.83 1im3 s LEU 65 Ca -0.14 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 53.26 1im3 s LEU 65 Cb -0.08 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1im3 s LEU 65 CO 0.01 -0.00 0.02 -0.31 -1.32 0.00 0.00 176.35 174.75 1im3 s TYR 66 N 1.34 3.21 0.11 5.38 1.51 -0.06 -1.24 117.35 127.60 1im3 s TYR 66 Ca 0.04 0.12 -0.13 0.00 -1.01 0.00 0.00 57.07 56.10 1im3 s TYR 66 Cb -0.14 -1.90 0.02 0.00 -0.11 0.00 0.00 41.96 39.83 1im3 s TYR 66 CO -0.06 0.34 0.31 1.52 -1.11 0.00 0.00 175.55 176.56 1im3 s TYR 67 N -0.40 -0.04 -0.02 2.71 1.13 0.62 -0.33 117.35 121.02 1im3 s TYR 67 Ca 0.08 -0.33 -0.27 0.00 -1.41 0.00 0.00 57.07 55.14 1im3 s TYR 67 Cb -0.12 0.12 0.06 0.00 -1.10 0.00 0.00 41.96 40.92 1im3 s TYR 67 CO 0.02 -0.64 0.60 -0.08 -2.51 0.00 0.00 175.55 172.94 1im3 s THR 68 N -3.83 0.01 0.32 -3.49 -1.32 -0.69 -1.24 115.64 105.40 1im3 s THR 68 Ca 0.04 -0.10 -0.28 0.00 -1.21 0.00 0.00 61.69 60.14 1im3 s THR 68 Cb 0.03 -0.94 -0.09 0.00 -1.51 0.00 0.00 72.50 69.99 1im3 s THR 68 CO -0.11 -0.06 1.13 -1.61 -2.21 0.00 0.00 174.62 171.77 1im3 s GLU 69 N -1.50 4.44 0.12 7.08 2.02 -1.26 -0.49 118.70 129.11 1im3 s GLU 69 Ca -0.10 1.83 -0.23 0.00 0.02 0.00 0.00 54.97 56.50 1im3 s GLU 69 Cb -0.01 -3.00 0.06 0.00 0.10 0.00 0.00 34.13 31.28 1im3 s GLU 69 CO 0.07 0.02 0.56 -0.59 0.02 0.00 0.00 175.26 175.34 1im3 s PHE 70 N -1.26 -0.48 -0.32 1.61 -0.71 -0.75 -4.83 117.98 111.24 1im3 s PHE 70 Ca 0.49 0.36 0.03 0.00 -1.04 0.00 0.00 56.93 56.77 1im3 s PHE 70 Cb -0.32 0.46 0.09 0.00 -1.21 0.00 0.00 43.02 42.05 1im3 s PHE 70 CO 0.41 -0.77 0.01 0.99 -1.34 0.00 0.00 175.22 174.52 1im3 s THR 71 N -3.31 2.15 0.33 -4.49 2.01 -1.26 0.42 115.64 111.47 1im3 s THR 71 Ca -0.01 -2.09 -0.28 0.00 0.31 0.00 0.00 61.69 59.62 1im3 s THR 71 Cb -0.00 -2.51 -0.13 0.00 0.01 0.00 0.00 72.50 69.88 1im3 s THR 71 CO -0.09 -0.46 1.27 -2.65 -0.69 0.00 0.00 174.62 172.00 1im3 n PRO 72 N 4.34 2.04 -4.32 4.92 -0.02 -1.26 -4.75 135.00 135.95 1im3 n PRO 72 Ca -0.01 0.72 -0.17 0.00 -2.02 0.00 0.00 63.50 62.02 1im3 n PRO 72 Cb 0.42 -2.28 -0.10 0.00 -0.02 0.00 0.00 33.50 31.52 1im3 n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1im3 s THR 73 N -1.02 1.37 0.34 3.45 -4.23 -1.26 -1.73 115.64 112.57 1im3 s THR 73 Ca 0.57 -2.11 0.03 0.00 -1.18 0.00 0.00 61.69 58.99 1im3 s THR 73 Cb -0.59 -2.08 0.22 0.00 1.34 0.00 0.00 72.50 71.40 1im3 s THR 73 CO 0.61 -0.57 1.95 -0.08 -0.54 0.00 0.00 174.62 176.00 1im3 h GLU 74 N 2.59 0.72 0.06 3.99 4.81 -1.97 -3.31 114.58 121.47 1im3 h GLU 74 Ca -0.38 -0.08 -0.37 0.00 -0.13 0.00 0.00 59.36 58.40 1im3 h GLU 74 Cb 1.21 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 1im3 h GLU 74 CO 0.64 0.56 -2.13 0.36 -0.73 0.00 0.00 179.01 177.71 1im3 n LYS 75 N -4.38 0.69 -1.67 1.92 2.85 -1.26 -4.97 118.16 111.35 1im3 n LYS 75 Ca 0.04 0.26 -0.45 0.00 -1.05 0.00 0.00 58.31 57.11 1im3 n LYS 75 Cb 0.12 -1.63 -0.03 0.00 -0.65 0.00 0.00 35.03 32.84 1im3 n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1im3 n ASP 76 N -3.56 2.70 -4.48 -5.58 8.00 -1.25 -5.00 116.55 107.38 1im3 n ASP 76 Ca -0.38 1.14 -0.33 0.00 0.71 0.00 0.00 54.79 55.93 1im3 n ASP 76 Cb 0.98 -1.42 -0.13 0.00 -0.02 0.00 0.00 41.12 40.53 1im3 n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1im3 s GLU 77 N -0.37 2.56 0.17 -1.24 2.02 -1.26 -4.65 118.70 115.93 1im3 s GLU 77 Ca 0.69 -0.68 0.09 0.00 0.02 0.00 0.00 54.97 55.09 1im3 s GLU 77 Cb -0.66 -2.40 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 1im3 s GLU 77 CO 0.49 0.61 -0.20 0.71 0.02 0.00 0.00 175.26 176.89 1im3 s TYR 78 N -0.69 1.97 0.25 1.61 1.51 -1.26 0.17 117.35 120.90 1im3 s TYR 78 Ca 0.11 -0.43 -0.20 0.00 -1.01 0.00 0.00 57.07 55.54 1im3 s TYR 78 Cb -0.11 -0.99 0.03 0.00 -0.11 0.00 0.00 41.96 40.78 1im3 s TYR 78 CO 0.01 0.37 0.64 0.00 -1.11 0.00 0.00 175.55 175.46 1im3 s ALA 79 N -1.84 -1.11 -0.09 3.71 0.00 -0.74 0.05 121.76 121.73 1im3 s ALA 79 Ca 0.16 -0.25 0.05 0.00 0.00 0.00 0.00 51.96 51.92 1im3 s ALA 79 Cb -0.07 0.88 -0.00 0.00 0.00 0.00 0.00 23.12 23.93 1im3 s ALA 79 CO 0.07 -0.94 -0.24 0.00 0.00 0.00 0.00 175.76 174.65 1im3 s ARG 81 N 0.20 3.29 -0.06 0.00 3.52 0.05 -1.21 118.95 124.74 1im3 s ARG 81 Ca -0.14 -0.68 0.06 0.00 -0.13 0.00 0.00 55.73 54.84 1im3 s ARG 81 Cb -0.17 -2.85 -0.01 0.00 -1.56 0.00 0.00 34.95 30.36 1im3 s ARG 81 CO 0.07 -0.14 -0.24 0.08 -0.81 0.00 0.00 175.30 174.26 1im3 s VAL 82 N 1.28 1.97 -0.01 7.11 1.01 0.64 -0.86 120.40 131.54 1im3 s VAL 82 Ca 0.03 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.05 1im3 s VAL 82 Cb -0.14 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1im3 s VAL 82 CO -0.04 0.55 -0.16 0.21 0.00 0.00 0.00 175.10 175.65 1im3 s ASN 83 N -0.09 1.91 0.07 3.32 2.47 0.04 -0.56 114.94 122.09 1im3 s ASN 83 Ca -0.05 -0.29 -0.21 0.00 0.42 0.00 0.00 52.86 52.73 1im3 s ASN 83 Cb -0.14 -0.23 0.05 0.00 -1.45 0.00 0.00 41.25 39.48 1im3 s ASN 83 CO 0.04 0.20 0.49 -2.28 -3.72 0.00 0.00 177.10 171.82 1im3 s HIS 84 N -0.36 -0.37 0.61 0.43 5.65 -1.26 -1.32 115.29 118.67 1im3 s HIS 84 Ca 0.06 0.33 0.32 0.00 0.25 0.00 0.00 55.06 56.02 1im3 s HIS 84 Cb -0.06 0.32 1.85 0.00 -1.18 0.00 0.00 32.58 33.51 1im3 s HIS 84 CO -0.01 -0.65 2.18 -0.39 -0.65 0.00 0.00 174.74 175.22 1im3 h VAL 85 N 2.71 0.35 0.00 0.89 -1.51 -1.95 0.15 116.25 116.89 1im3 h VAL 85 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 1im3 h VAL 85 Cb 1.22 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1im3 h VAL 85 CO 0.42 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.11 1im3 n THR 86 N -3.59 0.03 -4.35 7.19 -2.24 -1.26 -4.75 114.28 105.31 1im3 n THR 86 Ca -0.01 0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1im3 n THR 86 Cb 0.22 -0.56 -0.13 0.00 -2.10 0.00 0.00 70.33 67.76 1im3 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1im3 s LEU 87 N -2.13 3.13 0.57 3.22 1.43 0.52 -4.96 118.68 120.46 1im3 s LEU 87 Ca 0.39 -0.20 0.34 0.00 -1.03 0.00 0.00 54.13 53.63 1im3 s LEU 87 Cb 0.19 -1.76 1.70 0.00 0.03 0.00 0.00 46.19 46.36 1im3 s LEU 87 CO 0.35 0.13 2.14 0.77 0.23 0.00 0.00 176.35 179.97 1im3 h SER 88 N 6.99 0.00 -4.84 2.29 4.64 -1.85 -3.45 113.55 117.34 1im3 h SER 88 Ca -0.32 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.02 1im3 h SER 88 Cb 1.19 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 1im3 h SER 88 CO 0.61 0.06 0.32 0.00 -0.87 0.00 0.00 176.83 176.95 1im3 s GLN 89 N -4.07 1.07 0.19 4.77 -2.07 -1.26 -5.14 119.66 113.15 1im3 s GLN 89 Ca -0.02 -0.32 -0.32 0.00 -1.82 0.00 0.00 55.36 52.88 1im3 s GLN 89 Cb 0.12 0.49 -0.15 0.00 -1.09 0.00 0.00 33.01 32.38 1im3 s GLN 89 CO 0.53 -0.45 1.23 -2.30 -1.32 0.00 0.00 175.29 172.98 1im3 n PRO 90 N -0.16 1.40 -4.04 9.60 -0.02 -1.26 -4.92 135.00 135.59 1im3 n PRO 90 Ca -0.14 0.50 -0.36 0.00 -2.02 0.00 0.00 63.50 61.48 1im3 n PRO 90 Cb 0.63 -2.04 -0.08 0.00 -0.02 0.00 0.00 33.50 31.98 1im3 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1im3 s LYS 91 N -0.35 3.52 -0.13 -0.52 2.20 0.27 -4.92 119.74 119.82 1im3 s LYS 91 Ca 0.72 -0.27 0.02 0.00 -0.36 0.00 0.00 55.97 56.08 1im3 s LYS 91 Cb -0.80 -3.10 0.01 0.00 -1.51 0.00 0.00 37.83 32.43 1im3 s LYS 91 CO 0.51 0.58 -0.21 0.42 -0.36 0.00 0.00 175.35 176.29 1im3 s ILE 92 N -0.49 1.99 -0.15 5.43 1.01 -1.26 -0.26 121.20 127.47 1im3 s ILE 92 Ca 0.11 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.83 1im3 s ILE 92 Cb -0.12 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.60 1im3 s ILE 92 CO 0.02 0.54 -0.19 -0.69 0.00 0.00 0.00 174.94 174.62 1im3 s VAL 93 N 0.81 2.30 0.28 2.92 1.01 -0.35 -4.96 120.40 122.41 1im3 s VAL 93 Ca -0.07 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 1im3 s VAL 93 Cb -0.16 -1.94 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 1im3 s VAL 93 CO -0.01 0.53 0.74 -0.54 0.00 0.00 0.00 175.10 175.82 1im3 s LYS 94 N 0.86 4.15 0.10 2.72 1.02 -1.26 -0.26 119.74 127.08 1im3 s LYS 94 Ca -0.05 0.80 -0.30 0.00 0.02 0.00 0.00 55.97 56.43 1im3 s LYS 94 Cb -0.15 -2.65 -0.06 0.00 -0.52 0.00 0.00 37.83 34.45 1im3 s LYS 94 CO -0.02 0.27 1.07 -0.46 -0.92 0.00 0.00 175.35 175.28 1im3 s TRP 95 N -1.76 3.62 -0.16 3.18 -0.00 0.11 -4.88 118.94 119.05 1im3 s TRP 95 Ca 0.49 1.60 -0.02 0.00 -0.00 0.00 0.00 56.10 58.17 1im3 s TRP 95 Cb -0.13 -3.23 0.05 0.00 -0.00 0.00 0.00 33.47 30.16 1im3 s TRP 95 CO 0.19 -0.45 0.02 0.34 -0.00 0.00 0.00 176.95 177.04 1im3 s ASP 96 N 0.37 2.59 0.59 5.86 2.15 -1.26 -4.73 116.67 122.23 1im3 s ASP 96 Ca 0.51 -0.63 0.33 0.00 0.43 0.00 0.00 52.55 53.20 1im3 s ASP 96 Cb -0.26 -0.60 1.29 0.00 -0.30 0.00 0.00 42.92 43.05 1im3 s ASP 96 CO 0.31 -0.26 1.56 0.03 -0.17 0.00 0.00 175.17 176.64 1im3 h ARG 97 N 8.25 0.00 -0.00 4.34 3.08 -1.95 0.31 114.38 128.41 1im3 h ARG 97 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1im3 h ARG 97 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1im3 h ARG 97 CO 0.33 0.00 -0.01 -0.25 -1.07 0.00 0.00 179.97 178.97 1im3 n ASP 98 N -3.61 0.06 0.00 7.04 10.43 -1.26 -4.93 116.55 124.28 1im3 n ASP 98 Ca 0.24 -0.52 0.00 0.00 2.57 0.00 0.00 54.79 57.08 1im3 n ASP 98 Cb 1.38 -0.16 0.00 0.00 1.84 0.00 0.00 41.12 44.18 1im3 n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36