#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bqx s VAL 8 N 0.00 4.22 -0.16 2.62 1.01 -1.26 -5.00 120.40 121.83 2bqx s VAL 8 Ca 0.00 1.45 -0.14 0.00 0.00 0.00 0.00 61.98 63.29 2bqx s VAL 8 Cb 0.00 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 2bqx s VAL 8 CO 0.00 -0.20 0.31 -0.55 0.00 0.00 0.00 175.10 174.66 2bqx s SER 9 N 2.23 6.46 -0.10 3.32 0.15 -1.26 -4.96 113.70 119.54 2bqx s SER 9 Ca 0.56 0.54 0.15 0.00 0.70 0.00 0.00 55.95 57.90 2bqx s SER 9 Cb -0.21 -2.19 0.54 0.00 -1.71 0.00 0.00 66.02 62.44 2bqx s SER 9 CO 0.17 0.09 1.45 1.41 1.20 0.00 0.00 173.24 177.56 2bqx n HIS 10 N 3.59 1.02 -2.18 3.44 8.25 -1.26 -1.62 115.22 126.45 2bqx n HIS 10 Ca -0.11 -0.66 -0.42 0.00 -0.26 0.00 0.00 57.72 56.27 2bqx n HIS 10 Cb 0.52 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 2bqx n HIS 10 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2bqx s ASP 11 N -1.25 6.82 0.54 0.41 3.68 -1.25 -4.86 116.67 120.76 2bqx s ASP 11 Ca 0.40 2.19 0.28 0.00 2.13 0.00 0.00 52.55 57.55 2bqx s ASP 11 Cb 0.27 -2.57 1.44 0.00 -1.45 0.00 0.00 42.92 40.61 2bqx s ASP 11 CO 0.17 -0.72 1.95 0.00 0.13 0.00 0.00 175.17 176.70 2bqx h ALA 12 N 7.69 2.58 -0.71 3.66 0.00 -1.93 0.26 119.26 130.81 2bqx h ALA 12 Ca -0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2bqx h ALA 12 Cb 1.19 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2bqx h ALA 12 CO 0.90 -0.80 0.00 -0.25 0.00 0.00 0.00 179.25 179.09 2bqx n ASP 13 N -4.28 4.10 -2.68 0.00 8.00 -1.26 -0.97 116.55 119.46 2bqx n ASP 13 Ca 0.12 -2.09 -0.05 0.00 0.71 0.00 0.00 54.79 53.48 2bqx n ASP 13 Cb 0.73 -0.50 0.10 0.00 -0.02 0.00 0.00 41.12 41.42 2bqx n ASP 13 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2bqx n SER 14 N 1.52 -1.59 -4.90 -2.24 2.88 0.64 -4.52 113.62 105.41 2bqx n SER 14 Ca 0.25 -2.39 -0.34 0.00 -1.33 0.00 0.00 58.87 55.06 2bqx n SER 14 Cb 0.67 1.33 -0.05 0.00 -0.75 0.00 0.00 64.21 65.42 2bqx n SER 14 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 2bqx s LEU 15 N -1.33 4.37 0.11 2.46 2.34 0.31 -3.97 118.68 122.98 2bqx s LEU 15 Ca 0.22 0.36 -0.30 0.00 0.06 0.00 0.00 54.13 54.47 2bqx s LEU 15 Cb 0.28 -2.58 -0.06 0.00 -0.56 0.00 0.00 46.19 43.28 2bqx s LEU 15 CO -0.15 0.27 1.06 0.00 -1.06 0.00 0.00 176.35 176.47 2bqx s VAL 17 N 0.22 1.33 -0.35 0.00 1.01 -0.32 -4.26 120.40 118.03 2bqx s VAL 17 Ca 0.50 -0.50 -0.23 0.00 0.00 0.00 0.00 61.98 61.76 2bqx s VAL 17 Cb -0.26 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 34.85 2bqx s VAL 17 CO 0.31 0.42 0.76 -0.69 0.00 0.00 0.00 175.10 175.90 2bqx s VAL 18 N 1.45 4.76 0.02 2.92 1.01 -0.11 -1.11 120.40 129.36 2bqx s VAL 18 Ca 0.02 0.89 -0.30 0.00 0.00 0.00 0.00 61.98 62.59 2bqx s VAL 18 Cb -0.13 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 2bqx s VAL 18 CO -0.08 -0.39 1.18 -0.63 0.00 0.00 0.00 175.10 175.18 2bqx s ILE 19 N 3.03 4.18 -0.01 2.22 -1.09 -0.07 -1.57 121.20 127.90 2bqx s ILE 19 Ca 0.31 1.56 0.03 0.00 -2.23 0.00 0.00 60.65 60.31 2bqx s ILE 19 Cb -0.13 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 2bqx s ILE 19 CO 0.16 0.09 0.06 -0.62 -1.23 0.00 0.00 174.94 173.40 2bqx n GLU 20 N 4.26 0.20 -4.06 2.79 1.02 0.14 0.10 120.64 125.08 2bqx n GLU 20 Ca 0.09 -0.03 -0.20 0.00 -0.02 0.00 0.00 57.16 57.00 2bqx n GLU 20 Cb 0.47 -1.06 -0.17 0.00 -0.02 0.00 0.00 31.44 30.67 2bqx n GLU 20 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2bqx s ILE 21 N -2.18 0.47 0.09 -3.67 1.01 -0.38 -2.44 121.20 114.11 2bqx s ILE 21 Ca -0.01 -0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.39 2bqx s ILE 21 Cb 0.02 -0.53 -0.07 0.00 0.01 0.00 0.00 42.46 41.89 2bqx s ILE 21 CO 0.12 0.22 0.60 -0.55 0.00 0.00 0.00 174.94 175.33 2bqx s SER 22 N 1.12 7.08 0.30 3.58 0.15 -1.26 -0.75 113.70 123.92 2bqx s SER 22 Ca -0.08 1.30 -0.28 0.00 0.70 0.00 0.00 55.95 57.59 2bqx s SER 22 Cb -0.14 -2.37 -0.14 0.00 -1.71 0.00 0.00 66.02 61.66 2bqx s SER 22 CO -0.01 0.25 1.06 1.17 1.20 0.00 0.00 173.24 176.90 2bqx n LYS 23 N 1.60 1.49 0.00 5.44 4.81 -1.25 -1.53 118.16 128.72 2bqx n LYS 23 Ca -0.09 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 2bqx n LYS 23 Cb 0.51 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.62 2bqx n LYS 23 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2bqx n HIS 24 N 0.21 0.00 -2.14 5.64 8.25 0.35 -4.78 115.22 122.75 2bqx n HIS 24 Ca 0.09 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.23 2bqx n HIS 24 Cb 0.33 -0.06 -0.01 0.00 1.12 0.00 0.00 29.99 31.37 2bqx n HIS 24 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2bqx s SER 25 N -3.46 6.28 -0.10 0.41 0.15 -0.58 -4.48 113.70 111.93 2bqx s SER 25 Ca 0.00 1.58 0.13 0.00 0.70 0.00 0.00 55.95 58.36 2bqx s SER 25 Cb 0.00 -2.50 0.35 0.00 -1.71 0.00 0.00 66.02 62.15 2bqx s SER 25 CO 0.00 -0.83 1.26 -0.46 1.20 0.00 0.00 173.24 174.42 2bqx n ASN 26 N -2.07 3.05 -4.21 5.45 6.94 -1.26 -1.23 115.26 121.93 2bqx n ASN 26 Ca 0.07 -2.63 -0.34 0.00 -0.02 0.00 0.00 54.58 51.66 2bqx n ASN 26 Cb 0.54 -0.36 -0.15 0.00 -2.36 0.00 0.00 39.78 37.45 2bqx n ASN 26 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2bqx s ILE 27 N -2.12 2.81 -0.23 1.53 1.01 -1.26 -1.14 121.20 121.80 2bqx s ILE 27 Ca 0.29 -0.82 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 2bqx s ILE 27 Cb 0.22 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 2bqx s ILE 27 CO 0.08 0.37 0.41 -0.75 0.00 0.00 0.00 174.94 175.06 2bqx s LYS 28 N 1.37 4.10 0.35 2.79 2.20 0.12 -4.67 119.74 125.99 2bqx s LYS 28 Ca 0.03 0.18 0.07 0.00 -0.36 0.00 0.00 55.97 55.89 2bqx s LYS 28 Cb -0.15 -3.60 -0.01 0.00 -1.51 0.00 0.00 37.83 32.56 2bqx s LYS 28 CO -0.06 -0.17 0.42 0.71 -0.36 0.00 0.00 175.35 175.88 2bqx s TYR 29 N 1.74 3.00 -0.15 4.03 2.02 -1.02 -0.73 117.35 126.24 2bqx s TYR 29 Ca 0.18 -0.27 -0.05 0.00 -0.37 0.00 0.00 57.07 56.56 2bqx s TYR 29 Cb -0.15 -1.97 0.07 0.00 -0.40 0.00 0.00 41.96 39.51 2bqx s TYR 29 CO 0.09 0.01 0.28 -2.00 -1.57 0.00 0.00 175.55 172.36 2bqx s GLU 30 N -4.13 0.18 0.11 -0.62 2.12 0.12 -4.69 118.70 111.79 2bqx s GLU 30 Ca 0.45 0.73 -0.30 0.00 0.36 0.00 0.00 54.97 56.20 2bqx s GLU 30 Cb -0.08 -0.11 -0.07 0.00 0.26 0.00 0.00 34.13 34.14 2bqx s GLU 30 CO 0.30 -0.33 1.21 -1.17 -0.54 0.00 0.00 175.26 174.73 2bqx s LEU 31 N 2.44 4.40 -0.22 2.70 2.96 -1.26 -1.04 118.68 128.66 2bqx s LEU 31 Ca 0.02 2.10 -0.22 0.00 -0.22 0.00 0.00 54.13 55.81 2bqx s LEU 31 Cb -0.12 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 2bqx s LEU 31 CO -0.10 -0.44 0.71 -0.62 -1.32 0.00 0.00 176.35 174.59 2bqx s ASP 32 N 0.73 6.74 -1.41 3.68 3.68 0.15 -4.95 116.67 125.30 2bqx s ASP 32 Ca 0.57 0.91 -0.10 0.00 2.13 0.00 0.00 52.55 56.06 2bqx s ASP 32 Cb -0.31 -2.39 0.07 0.00 -1.45 0.00 0.00 42.92 38.85 2bqx s ASP 32 CO 0.32 -0.38 2.31 2.29 0.13 0.00 0.00 175.17 179.84 2bqx n LYS 33 N 5.46 3.69 0.00 4.34 2.85 -1.26 -1.57 118.16 131.67 2bqx n LYS 33 Ca 0.01 -3.01 0.00 0.00 -1.05 0.00 0.00 58.31 54.26 2bqx n LYS 33 Cb 0.49 -2.92 0.00 0.00 -0.65 0.00 0.00 35.03 31.95 2bqx n LYS 33 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 2bqx n GLU 34 N 3.83 0.00 0.00 -1.58 0.28 -1.26 -4.94 120.64 116.98 2bqx n GLU 34 Ca 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.56 2bqx n GLU 34 Cb 0.31 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.18 2bqx n GLU 34 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2bqx n SER 35 N -0.02 0.44 -0.23 -1.84 3.41 -1.22 -4.99 113.62 109.16 2bqx n SER 35 Ca 0.00 -0.15 -0.03 0.00 -0.26 0.00 0.00 58.87 58.43 2bqx n SER 35 Cb 0.00 0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 64.33 2bqx n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bqx n GLY 36 N 0.53 0.55 3.72 5.00 0.00 -0.61 -4.96 105.19 109.42 2bqx n GLY 36 Ca 0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2bqx n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqx s ALA 37 N -1.83 3.34 -0.57 4.61 0.00 -1.25 -4.76 121.76 121.30 2bqx s ALA 37 Ca 0.00 0.78 -0.24 0.00 0.00 0.00 0.00 51.96 52.51 2bqx s ALA 37 Cb 0.00 -3.41 0.05 0.00 0.00 0.00 0.00 23.12 19.76 2bqx s ALA 37 CO 0.00 -0.35 0.93 -1.17 0.00 0.00 0.00 175.76 175.17 2bqx s LEU 38 N 0.74 4.20 0.04 0.00 2.96 -1.26 -0.67 118.68 124.68 2bqx s LEU 38 Ca 0.55 -0.53 -0.18 0.00 -0.22 0.00 0.00 54.13 53.76 2bqx s LEU 38 Cb -0.28 -2.71 -0.06 0.00 0.50 0.00 0.00 46.19 43.64 2bqx s LEU 38 CO 0.30 -1.26 0.52 -0.04 -1.32 0.00 0.00 176.35 174.55 2bqx s MET 39 N 3.92 4.13 -0.25 1.98 -1.94 -0.21 -4.86 119.30 122.07 2bqx s MET 39 Ca 0.28 0.64 -0.29 0.00 -1.71 0.00 0.00 55.69 54.60 2bqx s MET 39 Cb -0.14 -3.25 0.00 0.00 2.01 0.00 0.00 34.83 33.46 2bqx s MET 39 CO 0.17 0.62 1.20 0.08 -0.01 0.00 0.00 175.02 177.07 2bqx s VAL 40 N -0.98 4.35 -0.25 -6.03 1.01 -1.26 0.11 120.40 117.35 2bqx s VAL 40 Ca 0.28 1.59 -0.02 0.00 0.00 0.00 0.00 61.98 63.82 2bqx s VAL 40 Cb -0.18 -4.19 -0.14 0.00 0.00 0.00 0.00 36.38 31.86 2bqx s VAL 40 CO 0.17 -0.33 -0.25 -0.67 0.00 0.00 0.00 175.10 174.02 2bqx n ASP 41 N 6.94 2.03 -3.56 3.32 4.64 0.09 -4.91 116.55 125.11 2bqx n ASP 41 Ca 0.13 -0.00 -0.16 0.00 -1.38 0.00 0.00 54.79 53.39 2bqx n ASP 41 Cb 0.46 -0.49 -0.06 0.00 -1.04 0.00 0.00 41.12 39.99 2bqx n ASP 41 CO 0.00 0.00 0.00 -0.60 -0.82 0.00 0.00 177.20 175.78 2bqx s ARG 42 N -2.48 0.93 -0.20 -0.67 6.06 -0.77 -5.00 118.95 116.82 2bqx s ARG 42 Ca -0.34 0.49 -0.03 0.00 -2.50 0.00 0.00 55.73 53.36 2bqx s ARG 42 Cb 0.10 0.44 -0.00 0.00 0.06 0.00 0.00 34.95 35.55 2bqx s ARG 42 CO 0.53 -0.24 -0.08 0.08 -2.50 0.00 0.00 175.30 173.09 2bqx s VAL 43 N -0.64 3.12 0.17 7.11 1.01 -1.26 0.14 120.40 130.05 2bqx s VAL 43 Ca -0.06 -0.58 -0.33 0.00 0.00 0.00 0.00 61.98 61.01 2bqx s VAL 43 Cb -0.02 -2.39 -0.16 0.00 0.00 0.00 0.00 36.38 33.81 2bqx s VAL 43 CO 0.06 0.46 1.08 0.18 0.00 0.00 0.00 175.10 176.87 2bqx n LEU 44 N 4.60 1.13 0.13 3.92 4.77 -0.29 -4.87 117.00 126.39 2bqx n LEU 44 Ca -0.19 1.15 -0.01 0.00 -0.03 0.00 0.00 56.01 56.93 2bqx n LEU 44 Cb 0.51 -1.17 0.15 0.00 -2.33 0.00 0.00 43.42 40.58 2bqx n LEU 44 CO 0.29 -1.53 0.47 1.88 -1.33 0.00 0.00 177.39 177.16 2bqx h TYR 45 N 2.99 0.00 -1.25 -1.77 -1.99 -1.92 -3.46 116.97 109.56 2bqx h TYR 45 Ca -0.42 0.00 -0.45 0.00 2.00 0.00 0.00 58.73 59.86 2bqx h TYR 45 Cb 1.36 0.00 0.03 0.00 2.00 0.00 0.00 36.73 40.12 2bqx h TYR 45 CO 0.53 0.64 -0.18 0.20 -0.00 0.00 0.00 178.16 179.34 2bqx s GLY 46 N -4.49 1.86 -1.41 3.88 0.00 -1.26 -4.99 107.32 100.90 2bqx s GLY 46 Ca -0.01 -1.84 -0.13 0.00 0.00 0.00 0.00 44.72 42.74 2bqx s GLY 46 CO 0.76 -1.54 2.13 0.00 0.00 0.00 0.00 173.10 174.46 2bqx n ALA 47 N -2.04 5.45 -2.33 3.20 0.00 -1.26 -4.87 120.51 118.65 2bqx n ALA 47 Ca 0.11 -3.98 -0.18 0.00 0.00 0.00 0.00 53.44 49.39 2bqx n ALA 47 Cb 0.60 -3.41 -0.09 0.00 0.00 0.00 0.00 19.45 16.54 2bqx n ALA 47 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2bqx s GLN 48 N 2.59 1.55 -0.10 0.00 -0.21 -1.26 -5.17 119.66 117.05 2bqx s GLN 48 Ca 0.45 -1.87 -0.17 0.00 0.02 0.00 0.00 55.36 53.80 2bqx s GLN 48 Cb 0.13 -0.16 0.04 0.00 1.00 0.00 0.00 33.01 34.02 2bqx s GLN 48 CO -0.06 -0.40 0.42 0.54 -2.12 0.00 0.00 175.29 173.66 2bqx s ASN 49 N -3.36 -0.39 0.12 5.90 4.22 -1.26 -4.58 114.94 115.59 2bqx s ASN 49 Ca 0.36 0.59 -0.32 0.00 -2.14 0.00 0.00 52.86 51.36 2bqx s ASN 49 Cb 0.06 0.66 -0.11 0.00 1.28 0.00 0.00 41.25 43.13 2bqx s ASN 49 CO 0.16 -0.30 1.82 -1.22 -2.04 0.00 0.00 177.10 175.52 2bqx n TYR 50 N 2.11 2.60 1.12 1.54 4.02 -0.36 -4.79 117.16 123.40 2bqx n TYR 50 Ca -0.17 -0.11 0.10 0.00 -0.01 0.00 0.00 57.90 57.71 2bqx n TYR 50 Cb 0.57 -2.72 0.55 0.00 -0.02 0.00 0.00 39.34 37.72 2bqx n TYR 50 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2bqx n PRO 51 N 5.49 0.49 -3.82 -0.72 -0.04 -1.26 -0.49 135.00 134.65 2bqx n PRO 51 Ca 0.18 0.04 -0.06 0.00 -0.04 0.00 0.00 63.50 63.62 2bqx n PRO 51 Cb 0.36 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.31 2bqx n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bqx s ALA 52 N -2.22 -1.35 0.48 0.55 0.00 -1.26 -4.90 121.76 113.06 2bqx s ALA 52 Ca 0.26 -0.20 -0.21 0.00 0.00 0.00 0.00 51.96 51.81 2bqx s ALA 52 Cb 0.13 0.76 -0.08 0.00 0.00 0.00 0.00 23.12 23.94 2bqx s ALA 52 CO 0.25 -1.04 1.07 -0.80 0.00 0.00 0.00 175.76 175.25 2bqx s ASN 53 N -2.96 6.28 -0.01 0.00 0.01 -0.98 -3.87 114.94 113.40 2bqx s ASN 53 Ca 0.12 2.05 0.02 0.00 -0.71 0.00 0.00 52.86 54.33 2bqx s ASN 53 Cb -0.04 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 39.04 2bqx s ASN 53 CO 0.06 -0.83 -0.06 -0.47 -1.51 0.00 0.00 177.10 174.29 2bqx s TYR 54 N -1.82 0.59 0.00 2.20 6.14 0.07 -0.42 117.35 124.10 2bqx s TYR 54 Ca 0.66 -0.12 0.00 0.00 0.64 0.00 0.00 57.07 58.25 2bqx s TYR 54 Cb -0.20 -0.41 0.00 0.00 0.42 0.00 0.00 41.96 41.77 2bqx s TYR 54 CO 0.24 -0.04 0.00 0.41 0.64 0.00 0.00 175.55 176.81 2bqx n GLY 55 N 3.10 2.57 3.16 8.97 0.00 -0.19 0.23 105.19 123.03 2bqx n GLY 55 Ca -0.15 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 2bqx n GLY 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bqx s PHE 56 N -2.51 0.84 -0.31 1.61 -0.12 -0.61 -0.84 117.98 116.04 2bqx s PHE 56 Ca 0.00 -1.07 -0.11 0.00 -0.05 0.00 0.00 56.93 55.70 2bqx s PHE 56 Cb 0.00 -0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 41.85 2bqx s PHE 56 CO 0.00 -0.33 0.20 0.08 -0.05 0.00 0.00 175.22 175.12 2bqx s VAL 57 N -3.83 5.15 0.71 -2.49 1.01 -0.53 -0.93 120.40 119.49 2bqx s VAL 57 Ca 0.16 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 2bqx s VAL 57 Cb 0.07 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.91 2bqx s VAL 57 CO -0.03 0.13 1.08 -2.65 0.00 0.00 0.00 175.10 173.63 2bqx n PRO 58 N 5.06 0.62 -3.70 2.72 -0.02 -1.26 -3.57 135.00 134.86 2bqx n PRO 58 Ca -0.14 0.27 -0.24 0.00 -2.02 0.00 0.00 63.50 61.37 2bqx n PRO 58 Cb 0.51 -2.33 0.05 0.00 -0.02 0.00 0.00 33.50 31.71 2bqx n PRO 58 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2bqx n ASN 59 N -1.93 -4.12 -4.18 2.55 3.02 -1.26 -5.00 115.26 104.33 2bqx n ASN 59 Ca 0.14 -0.69 -0.11 0.00 -0.03 0.00 0.00 54.58 53.89 2bqx n ASN 59 Cb 0.49 -4.48 -0.10 0.00 -0.61 0.00 0.00 39.78 35.08 2bqx n ASN 59 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2bqx s THR 60 N -3.39 0.44 -0.22 3.41 -4.23 -1.23 -4.76 115.64 105.65 2bqx s THR 60 Ca 0.40 -1.93 -0.03 0.00 -1.18 0.00 0.00 61.69 58.95 2bqx s THR 60 Cb -0.19 -1.96 0.07 0.00 1.34 0.00 0.00 72.50 71.76 2bqx s THR 60 CO 0.78 -0.59 0.08 -0.22 -0.54 0.00 0.00 174.62 174.12 2bqx s LEU 61 N -3.08 1.01 0.00 4.79 1.98 -0.21 -3.91 118.68 119.26 2bqx s LEU 61 Ca 0.20 -0.99 -0.07 0.00 -2.89 0.00 0.00 54.13 50.39 2bqx s LEU 61 Cb 0.07 -0.50 0.12 0.00 0.66 0.00 0.00 46.19 46.54 2bqx s LEU 61 CO 0.00 -0.36 0.74 0.61 -1.89 0.00 0.00 176.35 175.46 2bqx n GLY 62 N 5.12 -0.62 0.36 7.98 0.00 0.84 -4.38 105.19 114.49 2bqx n GLY 62 Ca -0.07 -1.80 0.11 0.00 0.00 0.00 0.00 46.02 44.26 2bqx n GLY 62 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2bqx h SER 63 N -0.82 0.81 -0.36 1.61 0.02 -1.90 -2.05 113.55 110.86 2bqx h SER 63 Ca -0.24 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2bqx h SER 63 Cb 0.74 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2bqx h SER 63 CO 0.20 0.35 0.00 -0.90 -1.14 0.00 0.00 176.83 175.34 2bqx n ASP 64 N -4.69 2.26 0.00 3.07 3.85 -1.26 -4.89 116.55 114.89 2bqx n ASP 64 Ca 0.21 -2.08 0.00 0.00 -0.71 0.00 0.00 54.79 52.21 2bqx n ASP 64 Cb 0.50 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 39.96 2bqx n ASP 64 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2bqx n GLY 65 N 0.96 1.13 3.73 6.12 0.00 -0.77 -5.04 105.19 111.32 2bqx n GLY 65 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 2bqx n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bqx s ASP 66 N -3.07 4.84 0.55 1.61 -0.00 -1.26 -4.77 116.67 114.56 2bqx s ASP 66 Ca 0.00 -0.62 -0.19 0.00 -0.00 0.00 0.00 52.55 51.74 2bqx s ASP 66 Cb 0.00 -0.90 -0.08 0.00 -0.00 0.00 0.00 42.92 41.94 2bqx s ASP 66 CO 0.00 -0.17 0.71 -2.65 -0.00 0.00 0.00 175.17 173.06 2bqx n PRO 67 N -1.10 0.71 -2.01 8.23 -0.02 -1.25 -0.11 135.00 139.45 2bqx n PRO 67 Ca -0.05 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.29 2bqx n PRO 67 Cb 0.60 -1.85 -0.02 0.00 -0.02 0.00 0.00 33.50 32.20 2bqx n PRO 67 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2bqx s VAL 68 N -1.59 2.59 0.41 -1.45 0.11 -1.26 -4.53 120.40 114.68 2bqx s VAL 68 Ca 0.70 0.54 -0.14 0.00 -2.93 0.00 0.00 61.98 60.15 2bqx s VAL 68 Cb -0.46 -3.34 -0.08 0.00 -1.53 0.00 0.00 36.38 30.97 2bqx s VAL 68 CO 0.53 0.10 0.81 -1.81 -3.33 0.00 0.00 175.10 171.40 2bqx s ASP 69 N 0.04 6.64 -0.07 3.54 1.01 -1.26 -1.46 116.67 125.11 2bqx s ASP 69 Ca 0.55 1.29 -0.06 0.00 0.71 0.00 0.00 52.55 55.04 2bqx s ASP 69 Cb -0.42 -2.39 0.02 0.00 1.01 0.00 0.00 42.92 41.15 2bqx s ASP 69 CO 0.49 -0.38 0.19 0.00 0.21 0.00 0.00 175.17 175.68 2bqx s ALA 70 N -2.30 -0.46 -0.16 5.23 0.00 -0.02 -1.08 121.76 122.95 2bqx s ALA 70 Ca 0.54 0.54 -0.08 0.00 0.00 0.00 0.00 51.96 52.97 2bqx s ALA 70 Cb -0.10 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 2bqx s ALA 70 CO 0.26 -0.09 0.10 -0.51 0.00 0.00 0.00 175.76 175.52 2bqx s LEU 71 N 0.14 4.06 -0.38 0.00 1.43 0.11 -1.03 118.68 123.01 2bqx s LEU 71 Ca -0.00 0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 53.29 2bqx s LEU 71 Cb -0.02 -2.02 0.09 0.00 0.03 0.00 0.00 46.19 44.28 2bqx s LEU 71 CO -0.00 0.25 0.16 -0.69 0.23 0.00 0.00 176.35 176.30 2bqx s VAL 72 N -0.09 3.33 0.17 -1.59 1.01 0.44 -0.29 120.40 123.37 2bqx s VAL 72 Ca 0.08 -1.80 -0.30 0.00 0.00 0.00 0.00 61.98 59.96 2bqx s VAL 72 Cb -0.12 -3.16 -0.07 0.00 0.00 0.00 0.00 36.38 33.03 2bqx s VAL 72 CO 0.01 -0.52 1.12 -0.76 0.00 0.00 0.00 175.10 174.95 2bqx s LEU 73 N 1.20 4.47 0.06 3.92 1.02 0.34 -2.33 118.68 127.38 2bqx s LEU 73 Ca 0.04 2.10 -0.27 0.00 0.02 0.00 0.00 54.13 56.03 2bqx s LEU 73 Cb -0.22 -3.60 0.09 0.00 0.02 0.00 0.00 46.19 42.47 2bqx s LEU 73 CO -0.03 -0.26 0.88 -0.55 0.02 0.00 0.00 176.35 176.41 2bqx s SER 74 N 0.02 -0.33 0.27 2.29 0.15 -1.26 -4.29 113.70 110.55 2bqx s SER 74 Ca 0.50 -0.13 0.24 0.00 0.70 0.00 0.00 55.95 57.26 2bqx s SER 74 Cb -0.30 0.44 0.40 0.00 -1.71 0.00 0.00 66.02 64.85 2bqx s SER 74 CO 0.35 -0.76 1.49 0.44 1.20 0.00 0.00 173.24 175.96 2bqx h ASP 75 N 2.00 0.00 -2.19 5.45 3.32 -2.00 -3.46 116.42 119.53 2bqx h ASP 75 Ca -0.24 -0.04 -0.54 0.00 0.02 0.00 0.00 57.03 56.23 2bqx h ASP 75 Cb 1.25 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.72 2bqx h ASP 75 CO 0.30 0.02 -0.59 0.68 -1.72 0.00 0.00 179.24 177.92 2bqx s VAL 76 N -3.20 3.86 -0.25 -1.35 -7.23 -1.26 -5.11 120.40 105.85 2bqx s VAL 76 Ca 0.06 -1.70 -0.11 0.00 -1.81 0.00 0.00 61.98 58.43 2bqx s VAL 76 Cb 0.09 -3.08 -0.05 0.00 0.56 0.00 0.00 36.38 33.91 2bqx s VAL 76 CO 0.68 -0.36 0.17 0.00 -0.31 0.00 0.00 175.10 175.28 2bqx s ALA 77 N -2.25 3.59 0.11 1.32 0.00 -1.26 -4.81 121.76 118.46 2bqx s ALA 77 Ca 0.32 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 51.20 2bqx s ALA 77 Cb -0.07 -2.36 -0.07 0.00 0.00 0.00 0.00 23.12 20.62 2bqx s ALA 77 CO 0.22 -0.27 0.53 -0.06 0.00 0.00 0.00 175.76 176.17 2bqx s PHE 78 N 1.22 3.67 0.20 0.00 0.08 -1.26 -4.90 117.98 116.99 2bqx s PHE 78 Ca 0.08 1.09 -0.31 0.00 0.12 0.00 0.00 56.93 57.90 2bqx s PHE 78 Cb -0.14 -2.38 -0.11 0.00 -0.57 0.00 0.00 43.02 39.83 2bqx s PHE 78 CO 0.06 0.50 1.58 -1.14 -0.10 0.00 0.00 175.22 176.12 2bqx s GLN 79 N -1.65 4.20 0.29 0.44 0.74 -1.26 -4.31 119.66 118.11 2bqx s GLN 79 Ca 0.34 2.42 -0.30 0.00 0.05 0.00 0.00 55.36 57.87 2bqx s GLN 79 Cb -0.16 -3.12 -0.12 0.00 1.10 0.00 0.00 33.01 30.71 2bqx s GLN 79 CO 0.18 -0.60 1.47 0.00 -0.55 0.00 0.00 175.29 175.79 2bqx n ALA 80 N 3.47 1.86 0.00 1.58 0.00 -1.26 -1.33 120.51 124.83 2bqx n ALA 80 Ca 0.12 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2bqx n ALA 80 Cb 0.38 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.47 2bqx n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bqx n GLY 81 N 1.75 2.50 3.92 0.00 0.00 0.11 -4.99 105.19 108.49 2bqx n GLY 81 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 2bqx n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bqx s SER 82 N -1.29 4.63 -0.08 1.61 1.04 -0.44 -4.80 113.70 114.36 2bqx s SER 82 Ca 0.00 0.52 0.03 0.00 0.48 0.00 0.00 55.95 56.98 2bqx s SER 82 Cb 0.00 -1.09 0.01 0.00 0.10 0.00 0.00 66.02 65.04 2bqx s SER 82 CO 0.00 -1.75 -0.15 -0.69 0.98 0.00 0.00 173.24 171.62 2bqx s VAL 83 N -3.38 1.42 -0.03 5.02 1.01 -1.26 -0.89 120.40 122.29 2bqx s VAL 83 Ca 0.62 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 62.02 2bqx s VAL 83 Cb -0.10 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 2bqx s VAL 83 CO 0.46 0.42 -0.22 0.54 0.00 0.00 0.00 175.10 176.30 2bqx s VAL 84 N 0.66 1.77 -0.13 2.92 0.11 -0.26 -4.94 120.40 120.52 2bqx s VAL 84 Ca -0.14 -0.93 -0.26 0.00 -2.93 0.00 0.00 61.98 57.71 2bqx s VAL 84 Cb -0.16 -1.48 -0.02 0.00 -1.53 0.00 0.00 36.38 33.19 2bqx s VAL 84 CO 0.04 0.50 0.86 -0.54 -3.33 0.00 0.00 175.10 172.63 2bqx s LYS 85 N -0.34 4.35 0.42 1.54 1.02 -1.26 -1.18 119.74 124.29 2bqx s LYS 85 Ca 0.04 1.10 0.03 0.00 0.02 0.00 0.00 55.97 57.16 2bqx s LYS 85 Cb -0.10 -3.55 -0.03 0.00 -0.52 0.00 0.00 37.83 33.63 2bqx s LYS 85 CO 0.01 -0.26 0.08 0.00 -0.92 0.00 0.00 175.35 174.25 2bqx s ALA 86 N 1.89 3.13 -0.01 5.17 0.00 0.09 -1.40 121.76 130.64 2bqx s ALA 86 Ca 0.41 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 51.15 2bqx s ALA 86 Cb -0.17 0.52 -0.00 0.00 0.00 0.00 0.00 23.12 23.46 2bqx s ALA 86 CO 0.15 -0.24 -0.07 -0.98 0.00 0.00 0.00 175.76 174.62 2bqx s ARG 87 N -3.79 0.60 0.37 0.00 1.70 0.54 -0.53 118.95 117.85 2bqx s ARG 87 Ca 0.22 -0.24 -0.25 0.00 -0.47 0.00 0.00 55.73 54.99 2bqx s ARG 87 Cb 0.04 -0.58 -0.09 0.00 -0.57 0.00 0.00 34.95 33.74 2bqx s ARG 87 CO 0.12 0.13 1.05 -0.51 -1.08 0.00 0.00 175.30 175.01 2bqx s LEU 88 N -0.06 4.22 0.00 -1.89 1.02 -0.14 -1.76 118.68 120.07 2bqx s LEU 88 Ca 0.01 2.06 0.00 0.00 0.02 0.00 0.00 54.13 56.22 2bqx s LEU 88 Cb -0.04 -4.09 0.00 0.00 0.02 0.00 0.00 46.19 42.09 2bqx s LEU 88 CO -0.00 -0.40 0.03 1.33 0.02 0.00 0.00 176.35 177.32 2bqx n VAL 89 N 0.17 0.00 -3.10 -1.59 0.24 -0.56 -4.92 118.33 108.58 2bqx n VAL 89 Ca 0.04 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 2bqx n VAL 89 Cb 0.49 1.18 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 2bqx n VAL 89 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bqx n GLY 90 N 0.17 -1.35 3.26 7.63 0.00 -1.11 -0.13 105.19 113.66 2bqx n GLY 90 Ca 0.00 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 2bqx n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bqx s VAL 91 N -2.91 0.02 -0.22 1.61 0.11 -0.61 -0.54 120.40 117.86 2bqx s VAL 91 Ca 0.00 -0.19 -0.05 0.00 -2.93 0.00 0.00 61.98 58.81 2bqx s VAL 91 Cb 0.00 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.26 2bqx s VAL 91 CO 0.00 -0.11 -0.01 -0.22 -3.33 0.00 0.00 175.10 171.44 2bqx s LEU 92 N -0.46 3.09 -0.15 2.54 2.96 0.58 -0.63 118.68 126.60 2bqx s LEU 92 Ca -0.06 -0.32 -0.10 0.00 -0.22 0.00 0.00 54.13 53.44 2bqx s LEU 92 Cb -0.04 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 2bqx s LEU 92 CO 0.02 -0.01 0.17 0.20 -1.32 0.00 0.00 176.35 175.41 2bqx s ASN 93 N 1.44 6.34 0.11 3.68 0.02 -0.54 -0.77 114.94 125.22 2bqx s ASN 93 Ca 0.05 0.40 -0.13 0.00 -1.02 0.00 0.00 52.86 52.16 2bqx s ASN 93 Cb -0.15 -2.10 0.02 0.00 0.02 0.00 0.00 41.25 39.04 2bqx s ASN 93 CO -0.01 0.27 0.32 0.00 0.02 0.00 0.00 177.10 177.70 2bqx s MET 94 N -0.24 0.98 -0.09 -0.60 0.23 -0.59 -0.41 119.30 118.59 2bqx s MET 94 Ca 0.13 -0.81 0.04 0.00 -1.03 0.00 0.00 55.69 54.02 2bqx s MET 94 Cb -0.12 0.42 -0.01 0.00 -1.53 0.00 0.00 34.83 33.59 2bqx s MET 94 CO 0.02 -0.36 -0.23 -2.00 -2.03 0.00 0.00 175.02 170.41 2bqx s GLU 95 N -3.83 2.89 0.14 3.16 2.12 0.53 -0.08 118.70 123.63 2bqx s GLU 95 Ca 0.04 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.50 2bqx s GLU 95 Cb 0.03 -2.28 -0.00 0.00 0.26 0.00 0.00 34.13 32.14 2bqx s GLU 95 CO -0.11 0.26 0.01 -0.40 -0.54 0.00 0.00 175.26 174.48 2bqx n ASP 96 N 3.29 2.05 0.19 -1.70 5.68 -0.03 0.44 116.55 126.47 2bqx n ASP 96 Ca -0.18 -1.66 0.13 0.00 -0.50 0.00 0.00 54.79 52.58 2bqx n ASP 96 Cb 0.53 0.16 0.66 0.00 -1.14 0.00 0.00 41.12 41.32 2bqx n ASP 96 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2bqx h GLU 97 N 0.00 0.00 0.00 0.11 9.09 -1.89 -2.31 114.58 119.58 2bqx h GLU 97 Ca -0.12 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.29 2bqx h GLU 97 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.48 2bqx h GLU 97 CO 0.19 0.00 -1.58 0.43 0.05 0.00 0.00 179.01 178.10 2bqx n SER 98 N -2.42 0.36 0.00 3.06 7.64 -1.26 -5.09 113.62 115.91 2bqx n SER 98 Ca -0.01 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.65 2bqx n SER 98 Cb 0.10 1.51 0.00 0.00 -1.01 0.00 0.00 64.21 64.82 2bqx n SER 98 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bqx n GLY 99 N 1.32 0.94 3.80 0.23 0.00 -0.87 -5.09 105.19 105.52 2bqx n GLY 99 Ca -0.01 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 2bqx n GLY 99 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bqx s MET 100 N -1.98 3.96 0.01 1.61 -1.94 -1.26 -0.85 119.30 118.84 2bqx s MET 100 Ca 0.00 1.34 -0.05 0.00 -1.71 0.00 0.00 55.69 55.27 2bqx s MET 100 Cb 0.00 -2.19 -0.01 0.00 2.01 0.00 0.00 34.83 34.64 2bqx s MET 100 CO 0.00 -0.29 0.08 0.34 -0.01 0.00 0.00 175.02 175.13 2bqx s ASP 101 N -1.95 0.09 -0.01 3.03 2.15 0.88 -4.69 116.67 116.16 2bqx s ASP 101 Ca 0.65 -0.28 0.04 0.00 0.43 0.00 0.00 52.55 53.39 2bqx s ASP 101 Cb -0.16 0.17 -0.01 0.00 -0.30 0.00 0.00 42.92 42.62 2bqx s ASP 101 CO 0.20 -0.32 -0.14 -1.83 -0.17 0.00 0.00 175.17 172.90 2bqx s GLU 102 N -1.30 1.18 -0.22 4.34 1.03 -1.26 -1.54 118.70 120.93 2bqx s GLU 102 Ca -0.14 -0.52 0.01 0.00 0.03 0.00 0.00 54.97 54.35 2bqx s GLU 102 Cb -0.08 -1.14 0.05 0.00 -0.80 0.00 0.00 34.13 32.16 2bqx s GLU 102 CO 0.01 0.31 -0.08 0.15 -1.33 0.00 0.00 175.26 174.31 2bqx s LYS 103 N -0.33 1.88 0.43 -4.83 -0.14 0.05 -4.31 119.74 112.48 2bqx s LYS 103 Ca 0.05 -0.92 -0.25 0.00 -1.36 0.00 0.00 55.97 53.49 2bqx s LYS 103 Cb -0.06 -2.50 -0.08 0.00 -1.68 0.00 0.00 37.83 33.51 2bqx s LYS 103 CO -0.01 -0.50 1.29 -0.51 -0.76 0.00 0.00 175.35 174.87 2bqx s LEU 104 N 1.38 4.14 -0.23 3.17 1.43 -0.24 -0.31 118.68 128.03 2bqx s LEU 104 Ca -0.03 2.62 -0.05 0.00 -1.03 0.00 0.00 54.13 55.63 2bqx s LEU 104 Cb -0.17 -3.99 -0.02 0.00 0.03 0.00 0.00 46.19 42.04 2bqx s LEU 104 CO -0.07 -0.94 0.00 -0.63 0.23 0.00 0.00 176.35 174.94 2bqx s ILE 105 N -1.31 3.78 0.27 -0.59 -1.09 0.30 0.05 121.20 122.62 2bqx s ILE 105 Ca 0.59 -0.35 0.02 0.00 -2.23 0.00 0.00 60.65 58.68 2bqx s ILE 105 Cb -0.37 -2.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.73 2bqx s ILE 105 CO 0.47 0.39 0.15 0.00 -1.23 0.00 0.00 174.94 174.72 2bqx s ALA 106 N 1.50 1.69 0.06 9.38 0.00 0.60 -1.49 121.76 133.50 2bqx s ALA 106 Ca 0.06 -1.79 0.02 0.00 0.00 0.00 0.00 51.96 50.24 2bqx s ALA 106 Cb -0.15 1.22 -0.03 0.00 0.00 0.00 0.00 23.12 24.17 2bqx s ALA 106 CO -0.00 -0.53 -0.07 -0.51 0.00 0.00 0.00 175.76 174.64 2bqx s LEU 107 N -3.30 2.34 0.71 0.00 1.43 -0.72 -0.50 118.68 118.64 2bqx s LEU 107 Ca 0.37 -0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 52.63 2bqx s LEU 107 Cb 0.06 -0.12 0.03 0.00 0.03 0.00 0.00 46.19 46.19 2bqx s LEU 107 CO 0.16 -0.30 1.18 -2.84 0.23 0.00 0.00 176.35 174.78 2bqx s PRO 108 N -2.33 2.30 0.63 1.29 0.02 -1.26 -0.34 135.00 135.32 2bqx s PRO 108 Ca -0.03 1.65 -0.17 0.00 0.02 0.00 0.00 61.00 62.47 2bqx s PRO 108 Cb -0.05 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.60 2bqx s PRO 108 CO -0.01 -1.69 1.15 0.96 -0.33 0.00 0.00 177.00 177.07 2bqx s ILE 109 N -2.11 2.95 0.53 2.83 -4.36 -0.49 -4.63 121.20 115.92 2bqx s ILE 109 Ca 0.72 0.50 0.25 0.00 -0.26 0.00 0.00 60.65 61.87 2bqx s ILE 109 Cb -0.26 -3.08 0.40 0.00 1.25 0.00 0.00 42.46 40.77 2bqx s ILE 109 CO 0.44 -0.21 1.98 0.44 0.24 0.00 0.00 174.94 177.83 2bqx h ASP 110 N 0.38 0.02 -0.10 4.36 3.32 -1.93 -0.09 116.42 122.39 2bqx h ASP 110 Ca -0.48 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.54 2bqx h ASP 110 Cb 1.27 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 2bqx h ASP 110 CO 0.54 0.01 -0.02 0.50 -1.72 0.00 0.00 179.24 178.55 2bqx h LYS 111 N 0.02 0.30 0.00 3.56 3.64 -1.98 -3.06 116.57 119.06 2bqx h LYS 111 Ca 0.28 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.55 2bqx h LYS 111 Cb 1.08 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 2bqx h LYS 111 CO -0.01 0.34 -0.32 0.82 -2.27 0.00 0.00 179.45 178.01 2bqx h ILE 112 N 0.29 1.58 -1.49 2.00 2.04 -1.38 -3.46 117.51 117.09 2bqx h ILE 112 Ca 0.07 -2.31 -0.00 0.00 1.00 0.00 0.00 64.86 63.61 2bqx h ILE 112 Cb 0.23 3.11 -0.24 0.00 -0.74 0.00 0.00 36.82 39.17 2bqx h ILE 112 CO 0.01 0.54 -0.34 -0.62 0.00 0.00 0.00 178.15 177.74 2bqx s ASP 113 N -6.38 -0.74 0.00 1.72 -1.08 -0.89 -5.04 116.67 104.26 2bqx s ASP 113 Ca -0.21 0.73 0.13 0.00 -0.52 0.00 0.00 52.55 52.67 2bqx s ASP 113 Cb -0.01 1.77 0.44 0.00 -1.46 0.00 0.00 42.92 43.67 2bqx s ASP 113 CO 0.67 -0.27 1.33 -0.81 0.52 0.00 0.00 175.17 176.61 2bqx n PRO 114 N 5.41 1.61 -0.28 4.34 -0.04 -1.16 -4.26 135.00 140.61 2bqx n PRO 114 Ca -0.03 -0.94 0.06 0.00 -0.04 0.00 0.00 63.50 62.54 2bqx n PRO 114 Cb 0.50 -1.27 0.16 0.00 -0.04 0.00 0.00 33.50 32.86 2bqx n PRO 114 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2bqx h THR 115 N 1.64 0.23 -0.77 0.52 2.02 -1.96 -0.72 112.91 113.88 2bqx h THR 115 Ca 0.00 -0.02 -0.52 0.00 0.77 0.00 0.00 66.41 66.65 2bqx h THR 115 Cb 0.37 0.18 -0.30 0.00 -1.74 0.00 0.00 68.15 66.65 2bqx h THR 115 CO 0.00 0.01 0.04 1.41 0.37 0.00 0.00 175.52 177.35 2bqx n HIS 116 N -5.44 2.59 0.33 3.16 8.25 -1.26 -4.68 115.22 118.17 2bqx n HIS 116 Ca 0.14 -2.37 0.21 0.00 -0.26 0.00 0.00 57.72 55.45 2bqx n HIS 116 Cb 0.50 -0.81 1.12 0.00 1.12 0.00 0.00 29.99 31.92 2bqx n HIS 116 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2bqx h SER 117 N 1.79 0.00 1.06 0.41 4.64 -1.42 -1.09 113.55 118.93 2bqx h SER 117 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2bqx h SER 117 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2bqx h SER 117 CO 1.01 0.00 0.00 0.10 -0.87 0.00 0.00 176.83 177.07 2bqx h TYR 118 N 0.00 0.00 -3.37 4.77 -0.00 -1.83 -3.41 116.97 113.13 2bqx h TYR 118 Ca -0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 58.73 58.16 2bqx h TYR 118 Cb 0.03 0.00 -0.08 0.00 -0.00 0.00 0.00 36.73 36.68 2bqx h TYR 118 CO 0.00 0.00 0.85 0.08 -0.00 0.00 0.00 178.16 179.09 2bqx s VAL 119 N -3.37 4.17 -0.13 -0.90 1.01 -0.42 -4.83 120.40 115.94 2bqx s VAL 119 Ca 0.05 0.85 0.16 0.00 0.00 0.00 0.00 61.98 63.04 2bqx s VAL 119 Cb 0.09 -4.64 -0.23 0.00 0.00 0.00 0.00 36.38 31.60 2bqx s VAL 119 CO 0.50 -1.18 0.15 0.29 0.00 0.00 0.00 175.10 174.86 2bqx n LYS 120 N 8.01 1.03 -3.94 2.72 4.76 -1.26 -5.02 118.16 124.46 2bqx n LYS 120 Ca 0.08 -0.05 -0.09 0.00 -2.87 0.00 0.00 58.31 55.37 2bqx n LYS 120 Cb 0.49 -1.44 -0.07 0.00 -1.84 0.00 0.00 35.03 32.17 2bqx n LYS 120 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2bqx s ASP 121 N -4.83 0.02 0.30 4.39 3.68 -1.26 -4.80 116.67 114.17 2bqx s ASP 121 Ca -0.08 -0.83 0.05 0.00 2.13 0.00 0.00 52.55 53.82 2bqx s ASP 121 Cb 0.07 0.44 0.78 0.00 -1.45 0.00 0.00 42.92 42.76 2bqx s ASP 121 CO 0.72 -0.90 1.68 -0.29 0.13 0.00 0.00 175.17 176.51 2bqx h ILE 122 N 2.53 0.40 0.00 4.11 6.09 -0.85 0.12 117.51 129.91 2bqx h ILE 122 Ca -0.32 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 2bqx h ILE 122 Cb 1.23 0.04 0.00 0.00 0.47 0.00 0.00 36.82 38.56 2bqx h ILE 122 CO 0.48 0.06 0.00 -0.90 -3.07 0.00 0.00 178.15 174.72 2bqx n ASP 123 N -5.10 0.32 0.12 2.19 5.75 -1.26 -1.75 116.55 116.81 2bqx n ASP 123 Ca 0.23 0.61 0.13 0.00 -0.01 0.00 0.00 54.79 55.76 2bqx n ASP 123 Cb 0.72 -0.67 0.32 0.00 -1.03 0.00 0.00 41.12 40.46 2bqx n ASP 123 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2bqx h ASP 124 N 0.00 0.00 -4.00 -1.12 3.32 -1.14 -3.45 116.42 110.04 2bqx h ASP 124 Ca 0.00 -0.03 -0.46 0.00 0.02 0.00 0.00 57.03 56.56 2bqx h ASP 124 Cb 0.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 2bqx h ASP 124 CO 0.00 0.01 0.37 -0.76 -1.72 0.00 0.00 179.24 177.15 2bqx s LEU 125 N -4.79 4.07 0.56 1.55 1.43 -0.72 -4.89 118.68 115.90 2bqx s LEU 125 Ca 0.09 1.87 -0.19 0.00 -1.03 0.00 0.00 54.13 54.87 2bqx s LEU 125 Cb 0.11 -4.32 -0.05 0.00 0.03 0.00 0.00 46.19 41.96 2bqx s LEU 125 CO 0.63 -0.41 1.14 -0.94 0.23 0.00 0.00 176.35 177.00 2bqx s SER 126 N -1.84 5.56 0.32 2.29 1.04 -1.26 -4.91 113.70 114.90 2bqx s SER 126 Ca 0.59 2.20 0.02 0.00 0.48 0.00 0.00 55.95 59.23 2bqx s SER 126 Cb -0.16 -2.58 0.57 0.00 0.10 0.00 0.00 66.02 63.95 2bqx s SER 126 CO 0.21 -1.33 1.93 0.50 0.98 0.00 0.00 173.24 175.53 2bqx h LYS 127 N 1.02 0.94 -0.50 4.02 1.63 -1.95 -2.18 116.57 119.55 2bqx h LYS 127 Ca -0.50 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.21 2bqx h LYS 127 Cb 1.27 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.66 2bqx h LYS 127 CO 0.56 0.62 0.16 1.25 -3.45 0.00 0.00 179.45 178.59 2bqx h HIS 128 N 0.97 0.81 -0.45 1.91 2.76 -1.99 -1.13 115.15 118.03 2bqx h HIS 128 Ca 0.35 -0.08 -0.09 0.00 -2.20 0.00 0.00 60.37 58.36 2bqx h HIS 128 Cb 0.16 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 2bqx h HIS 128 CO -0.00 0.70 -0.05 1.15 -1.30 0.00 0.00 177.93 178.43 2bqx h THR 129 N 0.68 1.27 -0.38 6.26 2.02 -1.81 -1.42 112.91 119.53 2bqx h THR 129 Ca 0.16 -1.14 -0.03 0.00 0.77 0.00 0.00 66.41 66.18 2bqx h THR 129 Cb 0.28 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2bqx h THR 129 CO -0.00 0.39 0.12 -0.07 0.37 0.00 0.00 175.52 176.32 2bqx h LEU 130 N 0.67 0.56 -0.87 2.58 4.07 -1.32 -1.68 115.31 119.32 2bqx h LEU 130 Ca 0.12 -0.21 -0.05 0.00 0.08 0.00 0.00 57.88 57.82 2bqx h LEU 130 Cb 0.57 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.13 2bqx h LEU 130 CO 0.03 0.62 0.23 0.44 -1.08 0.00 0.00 178.44 178.68 2bqx h ASP 131 N 0.47 0.99 -0.50 -0.43 3.32 -1.14 -0.95 116.42 118.19 2bqx h ASP 131 Ca 0.12 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 2bqx h ASP 131 Cb 0.26 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2bqx h ASP 131 CO -0.00 0.92 0.14 0.50 -1.72 0.00 0.00 179.24 179.08 2bqx h LYS 132 N 1.03 0.78 -0.34 3.56 3.64 -1.05 -0.17 116.57 124.03 2bqx h LYS 132 Ca 0.23 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2bqx h LYS 132 Cb 0.27 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2bqx h LYS 132 CO -0.01 0.74 0.07 0.82 -2.27 0.00 0.00 179.45 178.80 2bqx h ILE 133 N 0.68 1.23 -0.50 2.00 2.04 -1.05 -1.64 117.51 120.27 2bqx h ILE 133 Ca 0.16 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 2bqx h ILE 133 Cb 0.29 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2bqx h ILE 133 CO -0.00 0.27 0.26 0.50 0.00 0.00 0.00 178.15 179.17 2bqx h LYS 134 N 0.40 0.71 -0.10 2.37 3.64 -1.03 -2.52 116.57 120.03 2bqx h LYS 134 Ca 0.11 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 2bqx h LYS 134 Cb 0.33 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2bqx h LYS 134 CO 0.00 0.58 -0.22 1.25 -2.27 0.00 0.00 179.45 178.79 2bqx h HIS 135 N 0.67 0.18 0.08 1.91 2.76 -0.94 -0.85 115.15 118.95 2bqx h HIS 135 Ca 0.17 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2bqx h HIS 135 Cb 0.09 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.00 2bqx h HIS 135 CO -0.01 0.39 -0.04 0.35 -1.30 0.00 0.00 177.93 177.31 2bqx h PHE 136 N 0.16 -0.10 -0.06 5.26 3.57 -0.89 -2.10 116.94 122.78 2bqx h PHE 136 Ca 0.03 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 2bqx h PHE 136 Cb 0.48 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2bqx h PHE 136 CO 0.01 0.15 -0.37 0.74 -2.23 0.00 0.00 178.31 176.61 2bqx h PHE 137 N -0.36 0.15 0.00 0.41 0.04 -1.31 0.24 116.94 116.11 2bqx h PHE 137 Ca -0.01 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 2bqx h PHE 137 Cb 0.30 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2bqx h PHE 137 CO 0.01 0.49 -0.18 1.49 -0.60 0.00 0.00 178.31 179.52 2bqx h GLU 138 N 0.11 0.00 0.00 1.51 4.57 -1.01 -3.36 114.58 116.40 2bqx h GLU 138 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2bqx h GLU 138 Cb 0.71 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 2bqx h GLU 138 CO 0.05 0.18 -0.40 0.25 -1.18 0.00 0.00 179.01 177.90 2bqx n THR 139 N -3.48 0.00 0.23 0.32 -2.24 -0.80 -4.67 114.28 103.65 2bqx n THR 139 Ca -0.01 -0.20 0.12 0.00 -2.27 0.00 0.00 64.05 61.69 2bqx n THR 139 Cb 0.34 0.70 0.58 0.00 -2.10 0.00 0.00 70.33 69.86 2bqx n THR 139 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bqx n TYR 140 N -1.01 0.79 -0.10 4.78 4.11 0.79 -1.32 117.16 125.21 2bqx n TYR 140 Ca 0.00 0.38 0.05 0.00 -0.00 0.00 0.00 57.90 58.33 2bqx n TYR 140 Cb 0.00 -1.11 0.12 0.00 -0.00 0.00 0.00 39.34 38.35 2bqx n TYR 140 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2bqx n LYS 141 N -2.29 2.67 -0.12 -3.48 5.02 -1.26 -4.67 118.16 114.03 2bqx n LYS 141 Ca -0.01 -1.89 -0.05 0.00 -2.02 0.00 0.00 58.31 54.35 2bqx n LYS 141 Cb 0.09 -1.23 0.01 0.00 -0.02 0.00 0.00 35.03 33.89 2bqx n LYS 141 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2bqx h ASP 142 N 1.74 -0.36 0.85 4.39 3.32 -1.49 -1.92 116.42 122.94 2bqx h ASP 142 Ca 0.00 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2bqx h ASP 142 Cb 0.67 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.47 2bqx h ASP 142 CO 0.00 -0.13 0.00 0.18 -1.72 0.00 0.00 179.24 177.57 2bqx n LEU 143 N -5.30 0.41 -4.66 1.55 4.77 -1.26 -4.71 117.00 107.79 2bqx n LEU 143 Ca 0.02 0.58 -0.42 0.00 -0.03 0.00 0.00 56.01 56.16 2bqx n LEU 143 Cb 0.22 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 2bqx n LEU 143 CO 0.15 -0.31 0.74 -1.61 -1.33 0.00 0.00 177.39 175.03 2bqx s GLU 144 N -3.14 4.25 0.37 3.23 2.02 -0.72 -5.01 118.70 119.70 2bqx s GLU 144 Ca 0.08 1.13 -0.28 0.00 0.02 0.00 0.00 54.97 55.92 2bqx s GLU 144 Cb 0.11 -3.62 -0.10 0.00 0.10 0.00 0.00 34.13 30.62 2bqx s GLU 144 CO 0.42 -0.50 1.39 -1.25 0.02 0.00 0.00 175.26 175.34 2bqx s PRO 145 N 2.74 4.17 -0.65 0.39 0.04 -1.26 -2.82 135.00 137.60 2bqx s PRO 145 Ca 0.40 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.81 2bqx s PRO 145 Cb -0.16 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.42 2bqx s PRO 145 CO 0.09 -0.41 0.00 0.09 0.04 0.00 0.00 177.00 176.81 2bqx n ASN 146 N 0.52 -4.70 -4.15 6.66 3.02 -1.26 -4.98 115.26 110.36 2bqx n ASN 146 Ca 0.01 0.15 -0.17 0.00 -0.03 0.00 0.00 54.58 54.55 2bqx n ASN 146 Cb 0.41 -2.75 -0.12 0.00 -0.61 0.00 0.00 39.78 36.71 2bqx n ASN 146 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2bqx s LYS 147 N -2.12 0.76 0.01 3.52 1.02 -1.13 -4.90 119.74 116.91 2bqx s LYS 147 Ca 0.00 -0.94 -0.28 0.00 0.02 0.00 0.00 55.97 54.77 2bqx s LYS 147 Cb 0.00 -0.69 0.10 0.00 -0.52 0.00 0.00 37.83 36.72 2bqx s LYS 147 CO 0.00 0.15 0.90 1.67 -0.92 0.00 0.00 175.35 177.15 2bqx s TRP 148 N -1.42 -0.32 -0.03 3.18 1.48 -1.26 -4.74 118.94 115.83 2bqx s TRP 148 Ca -0.03 0.16 0.00 0.00 -1.06 0.00 0.00 56.10 55.18 2bqx s TRP 148 Cb -0.09 0.55 0.03 0.00 -1.16 0.00 0.00 33.47 32.80 2bqx s TRP 148 CO 0.02 -0.57 0.02 0.08 -4.06 0.00 0.00 176.95 172.43 2bqx s VAL 149 N -3.13 0.03 -0.31 -0.66 1.01 -1.26 -3.10 120.40 112.98 2bqx s VAL 149 Ca 0.06 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.23 2bqx s VAL 149 Cb -0.01 -0.16 0.07 0.00 0.00 0.00 0.00 36.38 36.28 2bqx s VAL 149 CO -0.08 0.12 -0.01 -0.54 0.00 0.00 0.00 175.10 174.60 2bqx s LYS 150 N 1.12 2.14 0.09 2.72 1.02 0.17 -4.64 119.74 122.37 2bqx s LYS 150 Ca -0.08 -1.47 -0.30 0.00 0.02 0.00 0.00 55.97 54.14 2bqx s LYS 150 Cb -0.13 -3.13 -0.05 0.00 -0.52 0.00 0.00 37.83 33.99 2bqx s LYS 150 CO -0.03 -0.71 1.03 0.08 -0.92 0.00 0.00 175.35 174.80 2bqx s VAL 151 N 1.12 4.39 -0.17 3.17 1.01 -1.26 -0.35 120.40 128.31 2bqx s VAL 151 Ca -0.02 1.88 -0.16 0.00 0.00 0.00 0.00 61.98 63.68 2bqx s VAL 151 Cb -0.20 -4.20 -0.12 0.00 0.00 0.00 0.00 36.38 31.86 2bqx s VAL 151 CO -0.04 0.24 0.09 0.11 0.00 0.00 0.00 175.10 175.49 2bqx h LYS 152 N 5.97 0.00 0.00 2.72 1.79 -1.09 -3.48 116.57 122.48 2bqx h LYS 152 Ca -0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 2bqx h LYS 152 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2bqx h LYS 152 CO 0.74 0.54 0.00 0.41 -1.08 0.00 0.00 179.45 180.06 2bqx n GLY 153 N 1.54 -2.48 3.92 3.86 0.00 -1.14 -5.02 105.19 105.87 2bqx n GLY 153 Ca -0.19 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 2bqx n GLY 153 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bqx s PHE 154 N -1.97 3.50 0.20 1.61 0.40 -1.26 -1.46 117.98 119.00 2bqx s PHE 154 Ca 0.00 0.32 0.08 0.00 -0.60 0.00 0.00 56.93 56.73 2bqx s PHE 154 Cb 0.00 -1.82 -0.05 0.00 0.51 0.00 0.00 43.02 41.66 2bqx s PHE 154 CO 0.00 0.52 -0.15 -1.21 0.70 0.00 0.00 175.22 175.08 2bqx s GLU 155 N -2.71 1.34 1.13 0.44 2.02 0.20 -4.98 118.70 116.14 2bqx s GLU 155 Ca 0.37 -1.58 -0.19 0.00 0.02 0.00 0.00 54.97 53.59 2bqx s GLU 155 Cb -0.12 -1.18 0.27 0.00 0.10 0.00 0.00 34.13 33.20 2bqx s GLU 155 CO 0.27 0.20 1.20 0.54 0.02 0.00 0.00 175.26 177.49 2bqx s ASN 156 N -3.25 1.58 0.29 -0.19 2.20 -1.26 -1.58 114.94 112.73 2bqx s ASN 156 Ca 0.22 0.43 0.00 0.00 -0.94 0.00 0.00 52.86 52.57 2bqx s ASN 156 Cb -0.02 -0.54 0.52 0.00 -2.00 0.00 0.00 41.25 39.21 2bqx s ASN 156 CO 0.07 -3.70 1.88 0.50 -2.94 0.00 0.00 177.10 172.92 2bqx h LYS 157 N -2.30 1.02 -0.85 3.55 3.64 -1.84 -1.23 116.57 118.56 2bqx h LYS 157 Ca -0.44 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 58.92 2bqx h LYS 157 Cb 1.26 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.80 2bqx h LYS 157 CO 0.33 0.67 0.54 1.49 -2.27 0.00 0.00 179.45 180.21 2bqx h GLU 158 N 1.05 1.00 -0.40 1.90 4.81 -1.92 -0.18 114.58 120.83 2bqx h GLU 158 Ca 0.43 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.45 2bqx h GLU 158 Cb 0.29 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2bqx h GLU 158 CO -0.19 0.66 -0.33 1.03 -0.73 0.00 0.00 179.01 179.46 2bqx h SER 159 N 1.03 0.98 -0.90 1.04 0.87 -1.64 -2.94 113.55 111.99 2bqx h SER 159 Ca 0.35 -0.45 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 2bqx h SER 159 Cb 0.06 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.70 2bqx h SER 159 CO -0.13 1.22 0.51 0.00 -0.53 0.00 0.00 176.83 177.90 2bqx h ALA 160 N 0.79 1.15 -0.89 6.23 0.00 -0.58 -1.99 119.26 123.95 2bqx h ALA 160 Ca 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2bqx h ALA 160 Cb 0.92 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2bqx h ALA 160 CO 0.09 0.64 0.50 0.82 0.00 0.00 0.00 179.25 181.29 2bqx h ILE 161 N 1.25 1.26 -0.62 0.00 2.04 -0.98 -0.43 117.51 120.03 2bqx h ILE 161 Ca 0.32 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2bqx h ILE 161 Cb -0.00 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.08 2bqx h ILE 161 CO -0.05 0.28 0.28 0.11 0.00 0.00 0.00 178.15 178.77 2bqx h LYS 162 N 1.25 0.90 -0.45 2.37 1.57 -1.23 -0.12 116.57 120.86 2bqx h LYS 162 Ca 0.32 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2bqx h LYS 162 Cb 0.01 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 2bqx h LYS 162 CO -0.05 0.73 0.24 0.28 -0.57 0.00 0.00 179.45 180.08 2bqx h VAL 163 N 0.85 1.17 -0.05 0.50 2.07 -0.77 -1.15 116.25 118.87 2bqx h VAL 163 Ca 0.21 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2bqx h VAL 163 Cb 0.14 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2bqx h VAL 163 CO -0.02 0.18 0.02 0.25 0.02 0.00 0.00 177.57 178.01 2bqx h LEU 164 N 0.59 0.07 -1.02 2.57 5.85 -0.78 -1.55 115.31 121.03 2bqx h LEU 164 Ca 0.16 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2bqx h LEU 164 Cb 0.07 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2bqx h LEU 164 CO -0.02 0.22 0.52 -0.33 -0.34 0.00 0.00 178.44 178.49 2bqx h GLU 165 N -0.09 1.20 -0.67 1.25 5.08 -0.91 0.94 114.58 121.38 2bqx h GLU 165 Ca 0.02 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2bqx h GLU 165 Cb 0.17 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2bqx h GLU 165 CO -0.00 0.84 0.19 -0.22 -1.00 0.00 0.00 179.01 178.82 2bqx h LYS 166 N 1.21 1.03 -0.16 2.33 3.64 -1.09 -0.19 116.57 123.35 2bqx h LYS 166 Ca 0.31 -0.22 -0.14 0.00 -1.27 0.00 0.00 60.65 59.33 2bqx h LYS 166 Cb -0.04 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 2bqx h LYS 166 CO -0.06 0.90 -0.52 0.00 -2.27 0.00 0.00 179.45 177.50 2bqx h ALA 167 N 1.21 0.82 -0.18 5.00 0.00 -0.38 -1.46 119.26 124.27 2bqx h ALA 167 Ca 0.22 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2bqx h ALA 167 Cb 0.31 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2bqx h ALA 167 CO -0.00 0.68 -0.11 0.82 0.00 0.00 0.00 179.25 180.64 2bqx h ILE 168 N 0.34 1.32 -0.67 0.00 2.04 -0.45 -0.46 117.51 119.63 2bqx h ILE 168 Ca 0.01 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.66 2bqx h ILE 168 Cb 1.02 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.77 2bqx h ILE 168 CO 0.09 0.36 0.31 0.50 0.00 0.00 0.00 178.15 179.41 2bqx h LYS 169 N 0.08 0.97 -0.99 2.37 3.64 -0.98 -2.48 116.57 119.18 2bqx h LYS 169 Ca 0.04 -0.15 0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2bqx h LYS 169 Cb 0.60 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 2bqx h LYS 169 CO 0.03 0.77 0.64 0.00 -2.27 0.00 0.00 179.45 178.63 2bqx h ALA 170 N 1.14 1.38 -0.34 5.00 0.00 -1.25 -1.91 119.26 123.29 2bqx h ALA 170 Ca 0.23 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 2bqx h ALA 170 Cb 0.13 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2bqx h ALA 170 CO -0.03 0.50 -0.26 -0.92 0.00 0.00 0.00 179.25 178.55 2bqx h TYR 171 N 1.21 0.77 0.00 0.00 3.20 -1.16 -3.47 116.97 117.53 2bqx h TYR 171 Ca 0.40 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2bqx h TYR 171 Cb 0.06 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.15 2bqx h TYR 171 CO -0.00 0.87 0.00 1.04 -1.64 0.00 0.00 178.16 178.43