#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sys s GLN 2 N 0.00 1.26 -0.08 0.38 -0.21 -1.26 -4.73 119.66 115.03 1sys s GLN 2 Ca 0.00 -1.04 0.04 0.00 0.02 0.00 0.00 55.36 54.38 1sys s GLN 2 Cb 0.00 -1.45 -0.00 0.00 1.00 0.00 0.00 33.01 32.56 1sys s GLN 2 CO 0.00 0.35 -0.21 1.03 -2.12 0.00 0.00 175.29 174.34 1sys s ARG 3 N -1.50 2.52 0.24 2.91 1.81 0.53 -4.93 118.95 120.53 1sys s ARG 3 Ca 0.07 -0.76 -0.30 0.00 -1.72 0.00 0.00 55.73 53.02 1sys s ARG 3 Cb -0.09 -2.00 -0.09 0.00 -0.45 0.00 0.00 34.95 32.32 1sys s ARG 3 CO 0.03 0.20 0.96 -0.08 -0.68 0.00 0.00 175.30 175.73 1sys s THR 4 N 0.25 4.04 0.25 0.02 -1.32 -1.26 -1.64 115.64 115.98 1sys s THR 4 Ca -0.13 2.03 -0.30 0.00 -1.21 0.00 0.00 61.69 62.09 1sys s THR 4 Cb -0.16 -4.29 -0.09 0.00 -1.51 0.00 0.00 72.50 66.45 1sys s THR 4 CO 0.06 0.47 1.16 -2.16 -2.21 0.00 0.00 174.62 171.95 1sys s PRO 5 N -1.13 4.55 0.11 7.08 0.04 -1.26 -4.30 135.00 140.10 1sys s PRO 5 Ca 0.42 1.88 -0.15 0.00 0.04 0.00 0.00 61.00 63.19 1sys s PRO 5 Cb -0.26 -3.19 -0.07 0.00 0.04 0.00 0.00 34.50 31.01 1sys s PRO 5 CO 0.33 0.05 0.54 0.15 0.04 0.00 0.00 177.00 178.10 1sys s LYS 6 N -1.01 4.02 -0.02 4.56 1.02 0.18 -4.87 119.74 123.63 1sys s LYS 6 Ca 0.48 0.54 0.05 0.00 0.02 0.00 0.00 55.97 57.06 1sys s LYS 6 Cb -0.33 -3.03 -0.01 0.00 -0.52 0.00 0.00 37.83 33.93 1sys s LYS 6 CO 0.41 0.54 -0.18 0.42 -0.92 0.00 0.00 175.35 175.62 1sys s ILE 7 N -1.34 1.40 -0.02 2.17 1.01 -1.26 -1.68 121.20 121.47 1sys s ILE 7 Ca 0.34 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1sys s ILE 7 Cb -0.16 -1.17 0.03 0.00 0.01 0.00 0.00 42.46 41.17 1sys s ILE 7 CO 0.19 0.40 0.01 -1.10 0.00 0.00 0.00 174.94 174.44 1sys s GLN 8 N -0.39 0.11 -0.11 2.79 -0.21 -0.96 -4.99 119.66 115.89 1sys s GLN 8 Ca 0.06 0.12 0.03 0.00 0.02 0.00 0.00 55.36 55.59 1sys s GLN 8 Cb -0.07 -0.32 -0.01 0.00 1.00 0.00 0.00 33.01 33.61 1sys s GLN 8 CO -0.01 -0.14 -0.20 0.08 -2.12 0.00 0.00 175.29 172.91 1sys s VAL 9 N 0.94 2.40 0.22 1.09 1.01 -1.26 -0.65 120.40 124.16 1sys s VAL 9 Ca -0.09 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 60.78 1sys s VAL 9 Cb -0.12 -1.95 0.07 0.00 0.00 0.00 0.00 36.38 34.38 1sys s VAL 9 CO -0.02 0.55 0.98 -0.72 0.00 0.00 0.00 175.10 175.88 1sys s TYR 10 N 0.33 0.06 0.16 5.22 1.13 -0.58 -4.55 117.35 119.12 1sys s TYR 10 Ca -0.16 -0.51 0.07 0.00 -1.41 0.00 0.00 57.07 55.06 1sys s TYR 10 Cb -0.17 0.72 -0.04 0.00 -1.10 0.00 0.00 41.96 41.37 1sys s TYR 10 CO 0.08 -1.05 0.01 -1.54 -2.51 0.00 0.00 175.55 170.53 1sys s SER 11 N -3.29 4.84 0.16 -0.18 1.04 -1.26 -0.00 113.70 115.01 1sys s SER 11 Ca 0.19 -0.36 -0.13 0.00 0.48 0.00 0.00 55.95 56.14 1sys s SER 11 Cb -0.03 -1.06 0.05 0.00 0.10 0.00 0.00 66.02 65.08 1sys s SER 11 CO 0.06 0.10 1.68 -0.09 0.98 0.00 0.00 173.24 175.97 1sys h ARG 12 N 2.76 0.85 -6.12 4.02 2.43 -1.75 -3.44 114.38 113.13 1sys h ARG 12 Ca -0.47 -0.19 -0.61 0.00 -0.81 0.00 0.00 59.98 57.90 1sys h ARG 12 Cb 1.20 -0.12 -0.13 0.00 -0.42 0.00 0.00 29.97 30.50 1sys h ARG 12 CO 0.58 0.79 -0.72 -1.01 -1.51 0.00 0.00 179.97 178.10 1sys s HIS 13 N -5.36 2.38 0.34 2.20 3.76 -1.26 -5.05 115.29 112.29 1sys s HIS 13 Ca -0.13 -0.38 -0.29 0.00 -0.15 0.00 0.00 55.06 54.12 1sys s HIS 13 Cb 0.12 -1.16 -0.12 0.00 1.11 0.00 0.00 32.58 32.53 1sys s HIS 13 CO 0.80 0.65 1.41 -2.30 -0.85 0.00 0.00 174.74 174.45 1sys n PRO 14 N -0.72 2.38 -1.70 8.40 -0.02 -1.26 -4.90 135.00 137.18 1sys n PRO 14 Ca -0.05 0.84 -0.39 0.00 -2.02 0.00 0.00 63.50 61.87 1sys n PRO 14 Cb 0.61 -2.50 0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1sys n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sys n ALA 15 N 0.73 1.17 -3.15 3.55 0.00 -1.26 -5.01 120.51 116.53 1sys n ALA 15 Ca 0.05 0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.68 1sys n ALA 15 Cb 0.37 -2.27 -0.00 0.00 0.00 0.00 0.00 19.45 17.55 1sys n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1sys s GLU 16 N -2.62 0.47 0.10 0.00 2.12 -1.26 -5.12 118.70 112.38 1sys s GLU 16 Ca 0.69 0.46 -0.36 0.00 0.36 0.00 0.00 54.97 56.12 1sys s GLU 16 Cb -0.45 0.21 -0.17 0.00 0.26 0.00 0.00 34.13 33.98 1sys s GLU 16 CO 0.52 -0.88 1.17 0.09 -0.54 0.00 0.00 175.26 175.62 1sys n ASN 17 N 5.35 0.95 0.00 -1.70 3.02 -1.26 -0.95 115.26 120.67 1sys n ASN 17 Ca 0.06 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.75 1sys n ASN 17 Cb 0.55 -1.11 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 1sys n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sys n GLY 18 N 2.08 2.88 3.80 7.41 0.00 -0.28 -4.98 105.19 116.10 1sys n GLY 18 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1sys n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sys s LYS 19 N -0.05 4.11 0.66 1.61 2.20 -0.13 -4.95 119.74 123.19 1sys s LYS 19 Ca 0.00 0.55 -0.16 0.00 -0.36 0.00 0.00 55.97 56.00 1sys s LYS 19 Cb 0.00 -3.27 -0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1sys s LYS 19 CO 0.00 0.57 1.15 0.45 -0.36 0.00 0.00 175.35 177.16 1sys s SER 20 N -0.76 4.92 0.00 1.43 0.15 -1.26 -3.99 113.70 114.19 1sys s SER 20 Ca 0.26 2.18 0.00 0.00 0.70 0.00 0.00 55.95 59.09 1sys s SER 20 Cb -0.17 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1sys s SER 20 CO 0.15 -1.77 0.00 -3.20 1.20 0.00 0.00 173.24 169.62 1sys n ASN 21 N -2.26 0.00 -3.99 5.45 2.85 0.32 -4.94 115.26 112.69 1sys n ASN 21 Ca 0.12 -0.57 -0.22 0.00 -0.11 0.00 0.00 54.58 53.80 1sys n ASN 21 Cb 0.51 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.37 1sys n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1sys s PHE 22 N -6.19 1.13 -0.27 1.20 0.40 -1.26 -0.85 117.98 112.14 1sys s PHE 22 Ca 0.00 -0.36 -0.13 0.00 -0.60 0.00 0.00 56.93 55.84 1sys s PHE 22 Cb 0.00 -0.85 -0.04 0.00 0.51 0.00 0.00 43.02 42.63 1sys s PHE 22 CO 0.00 -0.20 0.28 -1.17 0.70 0.00 0.00 175.22 174.83 1sys s LEU 23 N 0.56 4.04 0.06 -0.37 2.96 0.72 -1.80 118.68 124.86 1sys s LEU 23 Ca -0.10 0.15 0.07 0.00 -0.22 0.00 0.00 54.13 54.03 1sys s LEU 23 Cb -0.13 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 1sys s LEU 23 CO 0.02 -0.10 -0.16 0.20 -1.32 0.00 0.00 176.35 174.98 1sys s ASN 24 N 1.64 3.96 -0.22 3.68 0.01 1.00 -1.71 114.94 123.29 1sys s ASN 24 Ca 0.11 -0.43 -0.02 0.00 -0.71 0.00 0.00 52.86 51.81 1sys s ASN 24 Cb -0.16 -0.66 0.07 0.00 0.41 0.00 0.00 41.25 40.91 1sys s ASN 24 CO 0.10 0.23 0.03 0.00 -1.51 0.00 0.00 177.10 175.95 1sys s TYR 26 N 1.75 3.23 -0.14 0.00 5.04 0.18 -1.58 117.35 125.84 1sys s TYR 26 Ca 0.00 -0.44 -0.06 0.00 -2.44 0.00 0.00 57.07 54.13 1sys s TYR 26 Cb -0.17 -2.53 -0.04 0.00 0.35 0.00 0.00 41.96 39.57 1sys s TYR 26 CO -0.11 -0.49 0.07 0.14 -1.34 0.00 0.00 175.55 173.82 1sys s VAL 27 N 1.69 4.85 0.28 3.14 -7.23 -0.70 -2.26 120.40 120.17 1sys s VAL 27 Ca 0.05 -0.03 -0.15 0.00 -1.81 0.00 0.00 61.98 60.04 1sys s VAL 27 Cb -0.18 -3.13 0.01 0.00 0.56 0.00 0.00 36.38 33.64 1sys s VAL 27 CO 0.10 0.54 0.60 -0.94 -0.31 0.00 0.00 175.10 175.09 1sys s SER 28 N -0.34 -0.05 -1.37 4.85 1.04 -0.68 -1.12 113.70 116.03 1sys s SER 28 Ca 0.09 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1sys s SER 28 Cb -0.12 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1sys s SER 28 CO 0.02 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 173.55 1sys n GLY 29 N -0.44 0.91 3.76 7.32 0.00 -0.83 0.52 105.19 116.43 1sys n GLY 29 Ca -0.03 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 1sys n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sys s PHE 30 N -2.57 2.89 -0.29 1.61 -0.12 -1.19 -4.24 117.98 114.08 1sys s PHE 30 Ca 0.00 -0.22 -0.18 0.00 -0.05 0.00 0.00 56.93 56.47 1sys s PHE 30 Cb 0.00 -1.46 0.14 0.00 -0.63 0.00 0.00 43.02 41.07 1sys s PHE 30 CO 0.00 0.45 0.99 -1.58 -0.05 0.00 0.00 175.22 175.03 1sys s HIS 31 N -2.27 -0.56 0.17 3.49 2.46 -0.65 -1.32 115.29 116.60 1sys s HIS 31 Ca 0.35 1.16 -0.03 0.00 0.47 0.00 0.00 55.06 57.01 1sys s HIS 31 Cb -0.06 0.36 0.04 0.00 -0.13 0.00 0.00 32.58 32.79 1sys s HIS 31 CO 0.23 -0.27 0.13 -0.35 -2.47 0.00 0.00 174.74 172.01 1sys n PRO 32 N 3.34 -1.65 0.09 2.88 -0.04 -1.26 -0.35 135.00 138.00 1sys n PRO 32 Ca -0.17 -0.21 -0.08 0.00 -0.04 0.00 0.00 63.50 63.00 1sys n PRO 32 Cb 0.57 -0.22 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 1sys n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1sys h SER 33 N -1.56 0.22 -2.25 3.54 4.64 -1.99 -3.46 113.55 112.68 1sys h SER 33 Ca -0.05 -0.18 -0.58 0.00 -0.47 0.00 0.00 61.79 60.51 1sys h SER 33 Cb 0.16 -0.07 0.05 0.00 -0.31 0.00 0.00 62.40 62.23 1sys h SER 33 CO 0.03 0.97 0.87 0.47 -0.87 0.00 0.00 176.83 178.30 1sys n ASP 34 N -3.66 3.23 -3.52 4.97 8.00 -1.26 -4.96 116.55 119.34 1sys n ASP 34 Ca -0.03 1.06 -0.17 0.00 0.71 0.00 0.00 54.79 56.35 1sys n ASP 34 Cb 0.79 -1.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.41 1sys n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1sys s ILE 35 N 1.56 0.00 -0.13 0.53 2.07 -1.26 -4.59 121.20 119.37 1sys s ILE 35 Ca 0.81 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.07 1sys s ILE 35 Cb -0.67 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 40.94 1sys s ILE 35 CO 0.40 0.00 -0.18 -0.70 -1.91 0.00 0.00 174.94 172.55 1sys s GLU 36 N -1.25 2.55 -0.04 3.50 2.12 -0.79 -5.01 118.70 119.78 1sys s GLU 36 Ca -0.10 -0.68 0.03 0.00 0.36 0.00 0.00 54.97 54.58 1sys s GLU 36 Cb -0.00 -2.15 0.01 0.00 0.26 0.00 0.00 34.13 32.24 1sys s GLU 36 CO 0.09 -0.08 -0.11 0.08 -0.54 0.00 0.00 175.26 174.69 1sys s VAL 37 N 1.02 1.00 0.02 3.70 1.01 -1.26 -1.29 120.40 124.60 1sys s VAL 37 Ca -0.04 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1sys s VAL 37 Cb -0.15 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1sys s VAL 37 CO -0.04 0.31 -0.14 -1.81 0.00 0.00 0.00 175.10 173.42 1sys s ASP 38 N 0.30 1.59 -0.24 3.32 1.01 -0.47 -4.98 116.67 117.20 1sys s ASP 38 Ca -0.06 -0.38 -0.09 0.00 0.71 0.00 0.00 52.55 52.72 1sys s ASP 38 Cb -0.11 -0.12 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 1sys s ASP 38 CO 0.02 0.07 0.13 -0.76 0.21 0.00 0.00 175.17 174.84 1sys s LEU 39 N -0.86 3.87 -0.15 1.23 1.43 -1.26 -0.69 118.68 122.25 1sys s LEU 39 Ca 0.03 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.07 1sys s LEU 39 Cb -0.07 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1sys s LEU 39 CO 0.01 0.02 0.01 -0.76 0.23 0.00 0.00 176.35 175.87 1sys s LEU 40 N 1.29 3.58 -0.38 1.79 1.43 0.11 -0.89 118.68 125.61 1sys s LEU 40 Ca 0.06 0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.16 1sys s LEU 40 Cb -0.14 -1.87 0.08 0.00 0.03 0.00 0.00 46.19 44.29 1sys s LEU 40 CO 0.06 0.23 0.16 -0.75 0.23 0.00 0.00 176.35 176.27 1sys s LYS 41 N 0.01 2.28 -1.73 1.70 2.20 -0.76 -0.95 119.74 122.50 1sys s LYS 41 Ca 0.03 -1.56 -0.01 0.00 -0.36 0.00 0.00 55.97 54.07 1sys s LYS 41 Cb -0.13 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1sys s LYS 41 CO 0.02 -0.90 0.17 0.09 -0.36 0.00 0.00 175.35 174.37 1sys n ASN 42 N 4.69 -5.99 0.00 1.43 3.02 0.21 -2.30 115.26 116.31 1sys n ASN 42 Ca -0.07 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 1sys n ASN 42 Cb 0.42 -4.94 0.00 0.00 -0.61 0.00 0.00 39.78 34.65 1sys n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sys n GLY 43 N -1.16 0.65 3.54 7.41 0.00 -1.26 -5.05 105.19 109.32 1sys n GLY 43 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1sys n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sys s GLU 44 N -0.77 3.06 -0.21 1.61 0.41 -0.97 -5.02 118.70 116.80 1sys s GLU 44 Ca 0.00 -0.55 -0.30 0.00 -0.41 0.00 0.00 54.97 53.71 1sys s GLU 44 Cb 0.00 -2.69 -0.07 0.00 -1.78 0.00 0.00 34.13 29.60 1sys s GLU 44 CO 0.00 0.51 2.18 -2.13 -0.49 0.00 0.00 175.26 175.34 1sys n ARG 45 N 2.68 1.89 -2.12 1.61 0.63 -1.26 -1.83 116.66 118.26 1sys n ARG 45 Ca -0.18 0.54 -0.42 0.00 -0.92 0.00 0.00 57.85 56.88 1sys n ARG 45 Cb 0.53 -3.05 -0.03 0.00 0.45 0.00 0.00 32.46 30.36 1sys n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1sys s ILE 46 N 7.63 3.05 0.44 5.15 1.01 -0.07 -4.97 121.20 133.45 1sys s ILE 46 Ca 1.01 0.81 -0.09 0.00 0.00 0.00 0.00 60.65 62.38 1sys s ILE 46 Cb -0.46 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 1sys s ILE 46 CO 0.39 0.09 0.79 -1.61 0.00 0.00 0.00 174.94 174.60 1sys s GLU 47 N 0.47 3.69 -0.83 2.79 2.02 -1.26 -4.51 118.70 121.07 1sys s GLU 47 Ca 0.62 0.40 -0.02 0.00 0.02 0.00 0.00 54.97 55.99 1sys s GLU 47 Cb -0.39 -2.37 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 1sys s GLU 47 CO 0.35 -0.12 0.75 1.63 0.02 0.00 0.00 175.26 177.89 1sys n LYS 48 N -1.71 -1.54 -4.46 1.61 5.02 -1.26 -5.02 118.16 110.81 1sys n LYS 48 Ca 0.02 1.29 -0.33 0.00 -2.02 0.00 0.00 58.31 57.26 1sys n LYS 48 Cb 0.54 -5.57 -0.15 0.00 -0.02 0.00 0.00 35.03 29.84 1sys n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1sys s VAL 49 N -3.10 2.96 0.59 -0.18 1.01 -1.26 -4.92 120.40 115.50 1sys s VAL 49 Ca 0.12 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 1sys s VAL 49 Cb -0.02 -2.27 0.05 0.00 0.00 0.00 0.00 36.38 34.14 1sys s VAL 49 CO 0.76 0.50 0.84 -1.61 0.00 0.00 0.00 175.10 175.58 1sys s GLU 50 N 0.80 2.39 -0.10 2.72 2.02 -1.00 -4.91 118.70 120.62 1sys s GLU 50 Ca -0.04 -0.74 -0.25 0.00 0.02 0.00 0.00 54.97 53.96 1sys s GLU 50 Cb -0.15 -2.42 0.06 0.00 0.10 0.00 0.00 34.13 31.72 1sys s GLU 50 CO 0.01 -0.88 0.59 -3.38 0.02 0.00 0.00 175.26 171.61 1sys s HIS 51 N -2.88 -0.57 1.02 1.61 -3.43 -1.26 -1.51 115.29 108.27 1sys s HIS 51 Ca 0.59 1.10 -0.12 0.00 -0.80 0.00 0.00 55.06 55.83 1sys s HIS 51 Cb -0.10 0.29 0.20 0.00 -1.43 0.00 0.00 32.58 31.54 1sys s HIS 51 CO 0.40 -0.48 1.09 -1.54 -2.00 0.00 0.00 174.74 172.21 1sys s SER 52 N -0.78 2.45 0.09 7.38 1.04 -0.75 -4.96 113.70 118.17 1sys s SER 52 Ca -0.08 1.20 -0.30 0.00 0.48 0.00 0.00 55.95 57.24 1sys s SER 52 Cb -0.02 -1.88 -0.06 0.00 0.10 0.00 0.00 66.02 64.16 1sys s SER 52 CO 0.06 -3.24 1.18 -1.81 0.98 0.00 0.00 173.24 170.41 1sys s ASP 53 N -3.39 7.11 0.19 7.02 1.01 -1.26 -4.70 116.67 122.66 1sys s ASP 53 Ca 0.66 2.04 -0.33 0.00 0.71 0.00 0.00 52.55 55.63 1sys s ASP 53 Cb -0.19 -2.59 -0.14 0.00 1.01 0.00 0.00 42.92 41.01 1sys s ASP 53 CO 0.58 -0.42 1.36 -0.11 0.21 0.00 0.00 175.17 176.79 1sys n LEU 54 N 3.54 2.49 0.00 1.23 7.94 -1.26 -4.96 117.00 125.98 1sys n LEU 54 Ca 0.07 1.13 -0.15 0.00 -1.11 0.00 0.00 56.01 55.96 1sys n LEU 54 Cb 0.46 -1.34 -0.03 0.00 0.53 0.00 0.00 43.42 43.04 1sys n LEU 54 CO 0.55 -0.75 0.14 -0.24 -1.11 0.00 0.00 177.39 175.99 1sys n SER 55 N 2.36 -1.28 -3.83 1.96 2.88 -1.24 -5.05 113.62 109.41 1sys n SER 55 Ca 0.14 -2.88 -0.09 0.00 -1.33 0.00 0.00 58.87 54.71 1sys n SER 55 Cb 0.28 2.43 -0.07 0.00 -0.75 0.00 0.00 64.21 66.09 1sys n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1sys s PHE 56 N -2.99 0.12 0.81 0.66 -0.71 -1.26 -1.98 117.98 112.63 1sys s PHE 56 Ca 0.29 -0.52 -0.08 0.00 -1.04 0.00 0.00 56.93 55.59 1sys s PHE 56 Cb -0.01 0.00 0.17 0.00 -1.21 0.00 0.00 43.02 41.98 1sys s PHE 56 CO 0.21 -0.60 1.10 0.43 -1.34 0.00 0.00 175.22 175.03 1sys n SER 57 N -0.11 0.73 0.31 1.98 7.64 0.10 -4.92 113.62 119.35 1sys n SER 57 Ca -0.14 -1.79 0.19 0.00 1.01 0.00 0.00 58.87 58.14 1sys n SER 57 Cb 0.63 -0.78 0.99 0.00 -1.01 0.00 0.00 64.21 64.03 1sys n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1sys h LYS 58 N 0.00 0.00 -0.50 1.43 1.57 -2.03 -0.95 116.57 116.09 1sys h LYS 58 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 1sys h LYS 58 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1sys h LYS 58 CO 0.32 0.02 0.00 -0.40 -0.57 0.00 0.00 179.45 178.81 1sys n ASP 59 N -3.21 2.61 0.00 0.86 5.68 -1.26 -4.91 116.55 116.33 1sys n ASP 59 Ca -0.02 -2.12 0.00 0.00 -0.50 0.00 0.00 54.79 52.15 1sys n ASP 59 Cb 0.16 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 1sys n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1sys n TRP 60 N 0.67 0.00 -2.58 2.11 7.02 -0.36 -5.00 117.44 119.29 1sys n TRP 60 Ca 0.15 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.23 1sys n TRP 60 Cb 0.46 -0.36 -0.05 0.00 -2.42 0.00 0.00 31.31 28.94 1sys n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1sys s SER 61 N -2.90 7.34 0.54 -0.99 1.04 -1.26 -4.71 113.70 112.77 1sys s SER 61 Ca 0.00 2.13 -0.09 0.00 0.48 0.00 0.00 55.95 58.46 1sys s SER 61 Cb 0.00 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 1sys s SER 61 CO 0.00 -0.08 0.92 -0.36 0.98 0.00 0.00 173.24 174.70 1sys s PHE 62 N -1.24 3.58 -0.18 5.02 0.08 -0.44 -0.72 117.98 124.08 1sys s PHE 62 Ca 0.45 1.11 -0.16 0.00 0.12 0.00 0.00 56.93 58.45 1sys s PHE 62 Cb -0.28 -2.55 0.05 0.00 -0.57 0.00 0.00 43.02 39.66 1sys s PHE 62 CO 0.36 -0.47 0.47 1.52 -0.10 0.00 0.00 175.22 177.00 1sys s TYR 63 N -2.92 -0.54 0.07 0.36 -0.85 -0.84 -1.96 117.35 110.68 1sys s TYR 63 Ca 0.52 1.28 0.01 0.00 -0.52 0.00 0.00 57.07 58.36 1sys s TYR 63 Cb -0.11 0.19 -0.04 0.00 0.38 0.00 0.00 41.96 42.39 1sys s TYR 63 CO 0.47 -0.26 -0.05 -0.51 -1.52 0.00 0.00 175.55 173.68 1sys s LEU 64 N 0.37 2.47 -0.16 -3.49 1.43 -0.28 -3.62 118.68 115.41 1sys s LEU 64 Ca -0.01 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 1sys s LEU 64 Cb -0.04 0.03 0.03 0.00 0.03 0.00 0.00 46.19 46.24 1sys s LEU 64 CO -0.01 -0.49 -0.12 -0.22 0.23 0.00 0.00 176.35 175.74 1sys s LEU 65 N -2.83 1.79 -0.20 1.79 2.96 -1.26 -1.72 118.68 119.21 1sys s LEU 65 Ca 0.07 -0.59 -0.09 0.00 -0.22 0.00 0.00 54.13 53.31 1sys s LEU 65 Cb 0.05 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 1sys s LEU 65 CO -0.06 -0.09 0.10 -0.31 -1.32 0.00 0.00 176.35 174.66 1sys s TYR 66 N 1.49 3.31 0.00 5.38 1.51 -0.61 -1.81 117.35 126.63 1sys s TYR 66 Ca 0.03 0.17 -0.04 0.00 -1.01 0.00 0.00 57.07 56.22 1sys s TYR 66 Cb -0.14 -2.13 -0.00 0.00 -0.11 0.00 0.00 41.96 39.57 1sys s TYR 66 CO -0.10 0.18 0.07 1.52 -1.11 0.00 0.00 175.55 176.12 1sys s TYR 67 N 0.48 0.09 -0.01 2.71 1.13 -0.57 -0.48 117.35 120.70 1sys s TYR 67 Ca 0.05 -0.20 -0.05 0.00 -1.41 0.00 0.00 57.07 55.46 1sys s TYR 67 Cb -0.12 -0.08 0.00 0.00 -1.10 0.00 0.00 41.96 40.66 1sys s TYR 67 CO -0.00 -0.22 0.11 -0.08 -2.51 0.00 0.00 175.55 172.86 1sys s THR 68 N -1.18 0.06 0.38 -3.49 -1.32 -0.69 -2.37 115.64 107.04 1sys s THR 68 Ca -0.13 -0.52 -0.24 0.00 -1.21 0.00 0.00 61.69 59.60 1sys s THR 68 Cb -0.07 -0.34 -0.10 0.00 -1.51 0.00 0.00 72.50 70.48 1sys s THR 68 CO 0.00 -0.28 0.97 -0.70 -2.21 0.00 0.00 174.62 172.40 1sys s GLU 69 N -0.96 4.34 0.05 7.08 2.12 -1.26 -0.20 118.70 129.87 1sys s GLU 69 Ca -0.11 1.28 -0.27 0.00 0.36 0.00 0.00 54.97 56.23 1sys s GLU 69 Cb -0.06 -2.49 0.09 0.00 0.26 0.00 0.00 34.13 31.93 1sys s GLU 69 CO 0.01 0.06 0.88 -0.59 -0.54 0.00 0.00 175.26 175.08 1sys s PHE 70 N -1.86 -0.30 -0.28 5.30 -0.71 -0.03 -4.85 117.98 115.25 1sys s PHE 70 Ca 0.57 0.11 0.02 0.00 -1.04 0.00 0.00 56.93 56.59 1sys s PHE 70 Cb -0.15 0.57 0.07 0.00 -1.21 0.00 0.00 43.02 42.30 1sys s PHE 70 CO 0.20 -0.65 -0.04 0.99 -1.34 0.00 0.00 175.22 174.38 1sys s THR 71 N -3.23 1.93 0.77 -4.49 2.01 -1.26 0.12 115.64 111.48 1sys s THR 71 Ca 0.07 -1.69 -0.11 0.00 0.31 0.00 0.00 61.69 60.27 1sys s THR 71 Cb -0.01 -2.20 0.05 0.00 0.01 0.00 0.00 72.50 70.35 1sys s THR 71 CO -0.06 -0.24 1.08 -2.16 -0.69 0.00 0.00 174.62 172.55 1sys s PRO 72 N 1.17 2.32 0.35 4.92 0.04 -1.26 -4.78 135.00 137.75 1sys s PRO 72 Ca -0.02 1.07 0.04 0.00 0.04 0.00 0.00 61.00 62.13 1sys s PRO 72 Cb -0.19 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1sys s PRO 72 CO -0.07 -1.57 0.38 0.25 0.04 0.00 0.00 177.00 176.02 1sys n THR 73 N -3.46 0.00 0.61 1.26 -2.24 -1.26 -1.12 114.28 108.07 1sys n THR 73 Ca 0.08 -2.19 0.12 0.00 -2.27 0.00 0.00 64.05 59.80 1sys n THR 73 Cb 0.53 1.19 0.28 0.00 -2.10 0.00 0.00 70.33 70.23 1sys n THR 73 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1sys n GLU 74 N -0.62 0.27 -0.12 -0.78 0.00 -1.26 -4.22 120.64 113.91 1sys n GLU 74 Ca 0.05 0.14 -0.22 0.00 0.00 0.00 0.00 57.16 57.12 1sys n GLU 74 Cb 0.61 -1.73 -0.12 0.00 0.00 0.00 0.00 31.44 30.20 1sys n GLU 74 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1sys n LYS 75 N -2.15 0.64 -1.97 5.31 2.85 -1.26 -4.98 118.16 116.60 1sys n LYS 75 Ca 0.04 0.21 -0.40 0.00 -1.05 0.00 0.00 58.31 57.11 1sys n LYS 75 Cb 0.43 -1.53 -0.00 0.00 -0.65 0.00 0.00 35.03 33.28 1sys n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1sys s ASP 76 N -6.88 6.32 -0.04 -5.58 1.01 -1.26 -5.03 116.67 105.22 1sys s ASP 76 Ca -0.35 2.79 0.06 0.00 0.71 0.00 0.00 52.55 55.76 1sys s ASP 76 Cb 0.11 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 1sys s ASP 76 CO 0.58 -0.86 -0.22 -1.61 0.21 0.00 0.00 175.17 173.27 1sys s GLU 77 N -2.16 2.01 0.14 8.23 2.02 -1.26 -4.71 118.70 122.97 1sys s GLU 77 Ca 0.55 -0.78 0.10 0.00 0.02 0.00 0.00 54.97 54.87 1sys s GLU 77 Cb -0.41 -1.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 1sys s GLU 77 CO 0.54 0.39 -0.24 0.71 0.02 0.00 0.00 175.26 176.68 1sys s TYR 78 N -0.27 2.14 0.22 1.61 2.02 -1.26 0.63 117.35 122.44 1sys s TYR 78 Ca 0.02 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.16 1sys s TYR 78 Cb -0.11 -1.13 0.02 0.00 -0.40 0.00 0.00 41.96 40.34 1sys s TYR 78 CO 0.01 0.35 0.53 0.00 -1.57 0.00 0.00 175.55 174.87 1sys s ALA 79 N -1.34 -0.74 -0.07 3.71 0.00 -0.12 0.25 121.76 123.46 1sys s ALA 79 Ca 0.14 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 51.69 1sys s ALA 79 Cb -0.09 0.91 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 1sys s ALA 79 CO 0.07 -0.85 -0.22 0.00 0.00 0.00 0.00 175.76 174.75 1sys s ARG 81 N -0.15 3.06 -0.03 0.00 3.52 0.13 -0.83 118.95 124.65 1sys s ARG 81 Ca -0.03 -0.82 0.06 0.00 -0.13 0.00 0.00 55.73 54.81 1sys s ARG 81 Cb -0.14 -2.91 -0.02 0.00 -1.56 0.00 0.00 34.95 30.32 1sys s ARG 81 CO 0.04 -0.29 -0.22 0.08 -0.81 0.00 0.00 175.30 174.10 1sys s VAL 82 N 1.37 2.39 0.00 7.11 1.01 0.62 -1.37 120.40 131.54 1sys s VAL 82 Ca 0.03 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1sys s VAL 82 Cb -0.15 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1sys s VAL 82 CO -0.06 0.58 -0.10 0.21 0.00 0.00 0.00 175.10 175.74 1sys s ASN 83 N -0.61 1.14 0.14 3.32 3.84 -0.41 -0.18 114.94 122.18 1sys s ASN 83 Ca 0.09 -0.23 -0.16 0.00 0.21 0.00 0.00 52.86 52.78 1sys s ASN 83 Cb -0.10 -0.11 0.03 0.00 -0.55 0.00 0.00 41.25 40.52 1sys s ASN 83 CO -0.00 0.09 0.42 -2.28 -2.79 0.00 0.00 177.10 172.53 1sys s HIS 84 N -0.36 -0.15 0.50 0.43 5.65 -1.26 -1.89 115.29 118.20 1sys s HIS 84 Ca 0.03 -0.17 0.34 0.00 0.25 0.00 0.00 55.06 55.50 1sys s HIS 84 Cb -0.04 0.27 1.86 0.00 -1.18 0.00 0.00 32.58 33.49 1sys s HIS 84 CO -0.00 -0.75 2.04 -0.24 -0.65 0.00 0.00 174.74 175.14 1sys h VAL 85 N 2.34 0.00 -0.29 0.89 3.04 -1.96 0.17 116.25 120.44 1sys h VAL 85 Ca -0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1sys h VAL 85 Cb 1.26 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1sys h VAL 85 CO 0.45 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.36 1sys n THR 86 N -2.82 0.38 -4.18 3.17 -2.24 -1.26 -4.83 114.28 102.49 1sys n THR 86 Ca -0.02 -0.55 -0.32 0.00 -2.27 0.00 0.00 64.05 60.88 1sys n THR 86 Cb 0.19 0.64 -0.16 0.00 -2.10 0.00 0.00 70.33 68.90 1sys n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1sys s LEU 87 N -1.48 2.04 0.15 3.22 1.43 0.60 -4.97 118.68 119.67 1sys s LEU 87 Ca 0.35 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 1sys s LEU 87 Cb 0.20 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 45.02 1sys s LEU 87 CO 0.28 0.00 1.58 0.77 0.23 0.00 0.00 176.35 179.22 1sys h SER 88 N 7.87 0.92 -4.29 2.29 4.64 -1.88 -3.41 113.55 119.69 1sys h SER 88 Ca -0.43 -0.34 -0.52 0.00 -0.47 0.00 0.00 61.79 60.03 1sys h SER 88 Cb 1.15 -0.25 -0.25 0.00 -0.31 0.00 0.00 62.40 62.74 1sys h SER 88 CO 0.61 1.04 -0.82 -1.10 -0.87 0.00 0.00 176.83 175.68 1sys s GLN 89 N -4.90 1.18 0.24 4.77 -0.21 -1.26 -5.10 119.66 114.38 1sys s GLN 89 Ca -0.12 -0.89 -0.31 0.00 0.02 0.00 0.00 55.36 54.05 1sys s GLN 89 Cb 0.12 -1.27 -0.13 0.00 1.00 0.00 0.00 33.01 32.73 1sys s GLN 89 CO 0.84 0.32 1.46 -2.30 -2.12 0.00 0.00 175.29 173.49 1sys n PRO 90 N 1.78 2.18 -3.62 2.91 -0.02 -1.26 -4.94 135.00 132.03 1sys n PRO 90 Ca -0.18 0.78 -0.36 0.00 -2.02 0.00 0.00 63.50 61.72 1sys n PRO 90 Cb 0.54 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 1sys n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1sys s LYS 91 N -0.31 3.74 -0.08 -0.52 2.20 0.75 -4.88 119.74 120.64 1sys s LYS 91 Ca 0.68 0.17 0.03 0.00 -0.36 0.00 0.00 55.97 56.50 1sys s LYS 91 Cb -0.62 -3.10 0.01 0.00 -1.51 0.00 0.00 37.83 32.60 1sys s LYS 91 CO 0.48 0.64 -0.18 0.42 -0.36 0.00 0.00 175.35 176.35 1sys s ILE 92 N -1.24 1.61 -0.22 5.43 1.01 -1.26 -0.27 121.20 126.25 1sys s ILE 92 Ca 0.27 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1sys s ILE 92 Cb -0.14 -1.42 0.03 0.00 0.01 0.00 0.00 42.46 40.93 1sys s ILE 92 CO 0.15 0.46 -0.13 -0.69 0.00 0.00 0.00 174.94 174.73 1sys s VAL 93 N 0.52 2.41 0.18 2.92 1.01 -0.01 -4.94 120.40 122.50 1sys s VAL 93 Ca -0.16 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.40 1sys s VAL 93 Cb -0.17 -2.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.94 1sys s VAL 93 CO 0.06 0.28 1.07 -0.54 0.00 0.00 0.00 175.10 175.98 1sys s LYS 94 N 1.26 4.63 0.65 2.72 1.02 -1.26 -0.55 119.74 128.21 1sys s LYS 94 Ca 0.00 1.68 -0.18 0.00 0.02 0.00 0.00 55.97 57.50 1sys s LYS 94 Cb -0.16 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1sys s LYS 94 CO -0.08 0.13 1.25 -0.46 -0.92 0.00 0.00 175.35 175.27 1sys s TRP 95 N -0.35 2.18 -0.20 3.18 -0.00 0.14 -4.95 118.94 118.93 1sys s TRP 95 Ca 0.48 1.52 -0.04 0.00 -0.00 0.00 0.00 56.10 58.06 1sys s TRP 95 Cb -0.29 -3.58 0.10 0.00 -0.00 0.00 0.00 33.47 29.70 1sys s TRP 95 CO 0.35 -2.62 0.25 0.34 -0.00 0.00 0.00 176.95 175.27 1sys s ASP 96 N -1.60 1.09 0.00 5.86 -1.08 -1.26 -4.87 116.67 114.81 1sys s ASP 96 Ca 0.79 -0.07 0.01 0.00 -0.52 0.00 0.00 52.55 52.76 1sys s ASP 96 Cb -0.33 0.53 0.07 0.00 -1.46 0.00 0.00 42.92 41.73 1sys s ASP 96 CO 0.39 -0.31 0.30 -2.11 0.52 0.00 0.00 175.17 173.96 1sys n ARG 97 N 5.33 0.15 -0.94 4.34 1.85 -1.26 -1.50 116.66 124.63 1sys n ARG 97 Ca -0.05 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.85 1sys n ARG 97 Cb 0.50 -1.12 0.12 0.00 -1.05 0.00 0.00 32.46 30.90 1sys n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1sys n ASP 98 N -0.62 1.36 0.00 2.89 8.00 -1.26 -4.84 116.55 122.08 1sys n ASP 98 Ca 0.01 -2.96 0.00 0.00 0.71 0.00 0.00 54.79 52.55 1sys n ASP 98 Cb 0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1sys n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04