#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qz3 s THR 3 N 0.00 3.78 0.00 0.44 -4.23 -1.26 -4.98 115.64 109.39 2qz3 s THR 3 Ca 0.00 0.83 0.00 0.00 -1.18 0.00 0.00 61.69 61.34 2qz3 s THR 3 Cb 0.00 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.48 2qz3 s THR 3 CO 0.00 -0.51 0.33 -0.90 -0.54 0.00 0.00 174.62 173.00 2qz3 n ASP 4 N -2.11 0.54 -3.98 3.99 5.68 -0.24 -4.97 116.55 115.47 2qz3 n ASP 4 Ca 0.09 -1.10 -0.16 0.00 -0.50 0.00 0.00 54.79 53.12 2qz3 n ASP 4 Cb 0.53 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.37 2qz3 n ASP 4 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2qz3 s TYR 5 N -0.10 0.54 -0.17 2.11 5.04 -0.56 -4.78 117.35 119.43 2qz3 s TYR 5 Ca 0.00 -0.13 0.01 0.00 -2.44 0.00 0.00 57.07 54.51 2qz3 s TYR 5 Cb 0.00 -0.34 0.02 0.00 0.35 0.00 0.00 41.96 41.99 2qz3 s TYR 5 CO 0.00 -0.01 -0.19 -0.46 -1.34 0.00 0.00 175.55 173.54 2qz3 s TRP 6 N -0.22 2.69 -0.19 4.97 -0.00 -1.26 -1.48 118.94 123.46 2qz3 s TRP 6 Ca 0.01 -1.58 -0.04 0.00 -0.00 0.00 0.00 56.10 54.50 2qz3 s TRP 6 Cb -0.03 -1.87 -0.02 0.00 -0.00 0.00 0.00 33.47 31.55 2qz3 s TRP 6 CO -0.00 -0.78 -0.03 -1.14 -0.00 0.00 0.00 176.95 175.00 2qz3 s GLN 7 N 1.28 3.56 -0.34 5.86 2.00 0.34 -4.99 119.66 127.38 2qz3 s GLN 7 Ca 0.04 -0.55 0.02 0.00 -2.00 0.00 0.00 55.36 52.86 2qz3 s GLN 7 Cb -0.13 -3.00 0.15 0.00 0.80 0.00 0.00 33.01 30.83 2qz3 s GLN 7 CO -0.12 0.03 0.34 1.21 -0.50 0.00 0.00 175.29 176.24 2qz3 s ASN 8 N 0.92 1.47 -0.03 6.67 2.47 -1.25 -0.50 114.94 124.69 2qz3 s ASN 8 Ca 0.00 -1.30 0.04 0.00 0.42 0.00 0.00 52.86 52.02 2qz3 s ASN 8 Cb -0.14 0.48 -0.00 0.00 -1.45 0.00 0.00 41.25 40.14 2qz3 s ASN 8 CO 0.01 -0.31 -0.13 0.86 -3.72 0.00 0.00 177.10 173.81 2qz3 s TRP 9 N 1.77 1.31 0.02 0.43 -0.00 -0.03 -5.02 118.94 117.42 2qz3 s TRP 9 Ca 0.14 -0.33 0.01 0.00 -0.00 0.00 0.00 56.10 55.92 2qz3 s TRP 9 Cb -0.15 -0.89 -0.01 0.00 -0.00 0.00 0.00 33.47 32.42 2qz3 s TRP 9 CO -0.15 -0.11 -0.03 -0.08 -0.00 0.00 0.00 176.95 176.59 2qz3 s THR 10 N 0.01 0.19 -2.00 5.86 -1.32 -1.26 -0.76 115.64 116.37 2qz3 s THR 10 Ca -0.01 -0.62 0.23 0.00 -1.21 0.00 0.00 61.69 60.08 2qz3 s THR 10 Cb -0.09 -0.27 0.66 0.00 -1.51 0.00 0.00 72.50 71.30 2qz3 s THR 10 CO 0.01 -0.28 1.82 -0.90 -2.21 0.00 0.00 174.62 173.06 2qz3 n ASP 11 N 2.12 0.00 0.00 8.08 5.68 -0.34 -4.88 116.55 127.21 2qz3 n ASP 11 Ca -0.19 -0.99 0.00 0.00 -0.50 0.00 0.00 54.79 53.10 2qz3 n ASP 11 Cb 0.57 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 2qz3 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qz3 n GLY 12 N 0.67 0.64 3.73 6.12 0.00 -1.26 -4.99 105.19 110.09 2qz3 n GLY 12 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2qz3 n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qz3 s GLY 13 N -1.54 2.68 0.00 -0.02 0.00 -1.26 -4.88 107.32 102.29 2qz3 s GLY 13 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 44.72 45.62 2qz3 s GLY 13 CO 0.00 1.83 0.00 0.61 0.00 0.00 0.00 173.10 175.54 2qz3 n GLY 14 N 2.32 1.07 3.19 0.20 0.00 -1.23 -2.75 105.19 107.99 2qz3 n GLY 14 Ca 0.05 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 2qz3 n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qz3 s ILE 15 N 0.00 2.02 -0.33 -0.61 1.01 -0.31 -4.96 121.20 118.03 2qz3 s ILE 15 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.68 2qz3 s ILE 15 Cb 0.00 -1.77 0.10 0.00 0.01 0.00 0.00 42.46 40.80 2qz3 s ILE 15 CO 0.00 0.55 0.09 -0.69 0.00 0.00 0.00 174.94 174.89 2qz3 s VAL 16 N 0.57 1.31 -0.82 2.92 1.01 -1.26 -0.60 120.40 123.53 2qz3 s VAL 16 Ca -0.13 -1.73 -0.17 0.00 0.00 0.00 0.00 61.98 59.95 2qz3 s VAL 16 Cb -0.17 -1.98 0.17 0.00 0.00 0.00 0.00 36.38 34.40 2qz3 s VAL 16 CO 0.04 -0.67 0.88 0.20 0.00 0.00 0.00 175.10 175.56 2qz3 s ASN 17 N 1.35 6.61 -0.17 3.32 0.01 0.35 -4.98 114.94 121.43 2qz3 s ASN 17 Ca 0.11 -2.24 -0.10 0.00 -0.71 0.00 0.00 52.86 49.92 2qz3 s ASN 17 Cb -0.18 -2.29 -0.05 0.00 0.41 0.00 0.00 41.25 39.14 2qz3 s ASN 17 CO -0.19 -0.84 0.15 0.00 -1.51 0.00 0.00 177.10 174.71 2qz3 s ALA 18 N 1.51 3.74 -0.22 0.60 0.00 -1.26 -1.24 121.76 124.89 2qz3 s ALA 18 Ca 0.22 -0.65 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 2qz3 s ALA 18 Cb -0.11 -2.14 0.01 0.00 0.00 0.00 0.00 23.12 20.89 2qz3 s ALA 18 CO -0.06 0.29 -0.10 0.08 0.00 0.00 0.00 175.76 175.97 2qz3 s VAL 19 N -0.06 2.83 -0.79 0.00 1.01 0.66 -4.99 120.40 119.07 2qz3 s VAL 19 Ca 0.11 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 2qz3 s VAL 19 Cb -0.12 -2.31 0.03 0.00 0.00 0.00 0.00 36.38 33.99 2qz3 s VAL 19 CO 0.01 0.40 1.30 0.21 0.00 0.00 0.00 175.10 177.01 2qz3 s ASN 20 N 1.38 6.22 0.84 3.32 2.47 -1.26 -2.05 114.94 125.86 2qz3 s ASN 20 Ca 0.04 -0.64 -0.01 0.00 0.42 0.00 0.00 52.86 52.68 2qz3 s ASN 20 Cb -0.15 -2.56 0.01 0.00 -1.45 0.00 0.00 41.25 37.11 2qz3 s ASN 20 CO -0.07 -1.77 0.09 0.61 -3.72 0.00 0.00 177.10 172.24 2qz3 n GLY 21 N 5.63 -0.65 3.77 1.21 0.00 -0.25 -5.02 105.19 109.88 2qz3 n GLY 21 Ca 0.08 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 2qz3 n GLY 21 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qz3 s SER 22 N -1.34 6.43 1.50 1.61 0.15 -1.25 -4.63 113.70 116.17 2qz3 s SER 22 Ca 0.05 2.31 0.00 0.00 0.70 0.00 0.00 55.95 59.01 2qz3 s SER 22 Cb -0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2qz3 s SER 22 CO 0.04 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.35 2qz3 n GLY 23 N 0.54 3.52 0.66 9.45 0.00 -1.26 -0.97 105.19 117.12 2qz3 n GLY 23 Ca 0.05 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.16 2qz3 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qz3 n GLY 24 N 0.00 0.65 3.81 -0.02 0.00 -1.26 -4.94 105.19 103.43 2qz3 n GLY 24 Ca 0.00 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 2qz3 n GLY 24 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qz3 s ASN 25 N -1.08 6.99 0.15 1.61 3.84 -0.15 -0.90 114.94 125.42 2qz3 s ASN 25 Ca 0.25 1.18 -0.10 0.00 0.21 0.00 0.00 52.86 54.40 2qz3 s ASN 25 Cb 0.13 -2.33 -0.00 0.00 -0.55 0.00 0.00 41.25 38.50 2qz3 s ASN 25 CO 0.18 0.27 0.30 -0.72 -2.79 0.00 0.00 177.10 174.34 2qz3 s TYR 26 N -1.01 0.27 0.06 0.43 -0.85 0.21 -1.09 117.35 115.37 2qz3 s TYR 26 Ca 0.28 -0.64 0.01 0.00 -0.52 0.00 0.00 57.07 56.20 2qz3 s TYR 26 Cb -0.19 0.01 -0.03 0.00 0.38 0.00 0.00 41.96 42.13 2qz3 s TYR 26 CO 0.17 -0.71 -0.06 -1.54 -1.52 0.00 0.00 175.55 171.89 2qz3 s SER 27 N -2.93 0.80 -0.01 -0.18 1.04 -0.87 -1.36 113.70 110.18 2qz3 s SER 27 Ca 0.14 -0.75 -0.00 0.00 0.48 0.00 0.00 55.95 55.81 2qz3 s SER 27 Cb 0.03 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.25 2qz3 s SER 27 CO -0.03 -0.36 0.03 -0.69 0.98 0.00 0.00 173.24 173.17 2qz3 s VAL 28 N -2.48 -0.02 -0.11 5.02 1.01 -0.52 -0.25 120.40 123.04 2qz3 s VAL 28 Ca -0.01 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.07 2qz3 s VAL 28 Cb -0.03 -0.06 0.02 0.00 0.00 0.00 0.00 36.38 36.31 2qz3 s VAL 28 CO -0.03 0.04 -0.14 0.20 0.00 0.00 0.00 175.10 175.17 2qz3 s ASN 29 N 0.45 2.41 0.11 3.32 0.01 -0.37 -0.60 114.94 120.27 2qz3 s ASN 29 Ca -0.04 -0.41 0.04 0.00 -0.71 0.00 0.00 52.86 51.74 2qz3 s ASN 29 Cb -0.05 -1.06 -0.04 0.00 0.41 0.00 0.00 41.25 40.51 2qz3 s ASN 29 CO -0.01 -0.02 -0.10 -1.66 -1.51 0.00 0.00 177.10 173.80 2qz3 s TRP 30 N 1.17 1.12 -0.12 2.20 -2.14 0.05 -0.49 118.94 120.73 2qz3 s TRP 30 Ca -0.03 -0.69 -0.06 0.00 2.66 0.00 0.00 56.10 57.98 2qz3 s TRP 30 Cb -0.14 -0.60 0.05 0.00 -3.10 0.00 0.00 33.47 29.68 2qz3 s TRP 30 CO -0.04 0.02 0.27 0.45 -2.66 0.00 0.00 176.95 174.99 2qz3 s SER 31 N -2.67 -0.17 -1.38 -2.66 0.15 0.23 -1.12 113.70 106.08 2qz3 s SER 31 Ca 0.09 0.58 -0.06 0.00 0.70 0.00 0.00 55.95 57.26 2qz3 s SER 31 Cb -0.01 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2qz3 s SER 31 CO -0.00 -0.18 0.40 0.59 1.20 0.00 0.00 173.24 175.25 2qz3 n ASN 32 N 4.48 -1.08 -4.89 5.45 3.02 -0.71 -1.16 115.26 120.36 2qz3 n ASN 32 Ca -0.21 -1.10 -0.29 0.00 -0.03 0.00 0.00 54.58 52.95 2qz3 n ASN 32 Cb 0.52 -2.63 0.04 0.00 -0.61 0.00 0.00 39.78 37.10 2qz3 n ASN 32 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2qz3 s THR 33 N -3.95 3.58 0.00 3.41 -4.23 -0.67 -3.51 115.64 110.28 2qz3 s THR 33 Ca 0.12 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 2qz3 s THR 33 Cb -0.05 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.30 2qz3 s THR 33 CO 0.92 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 2qz3 n GLY 34 N -2.87 1.16 3.74 3.99 0.00 -1.11 -1.44 105.19 108.66 2qz3 n GLY 34 Ca 0.06 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 2qz3 n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qz3 s ASN 35 N -1.00 7.54 0.05 1.61 0.01 -1.26 -3.30 114.94 118.59 2qz3 s ASN 35 Ca 0.00 1.84 -0.15 0.00 -0.71 0.00 0.00 52.86 53.84 2qz3 s ASN 35 Cb 0.00 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.09 2qz3 s ASN 35 CO 0.00 0.01 0.34 0.72 -1.51 0.00 0.00 177.10 176.65 2qz3 s PHE 36 N -0.37 -0.15 -0.11 2.20 -0.71 -0.66 -1.19 117.98 117.00 2qz3 s PHE 36 Ca 0.45 0.00 -0.05 0.00 -1.04 0.00 0.00 56.93 56.30 2qz3 s PHE 36 Cb -0.24 0.14 0.05 0.00 -1.21 0.00 0.00 43.02 41.76 2qz3 s PHE 36 CO 0.30 -0.54 0.23 0.08 -1.34 0.00 0.00 175.22 173.95 2qz3 s VAL 37 N -2.71 -0.19 -0.03 -2.49 1.01 0.06 -1.56 120.40 114.49 2qz3 s VAL 37 Ca -0.04 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.17 2qz3 s VAL 37 Cb -0.00 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 36.02 2qz3 s VAL 37 CO -0.04 0.09 -0.05 -0.69 0.00 0.00 0.00 175.10 174.41 2qz3 s VAL 38 N 1.75 0.53 0.01 2.92 1.01 -0.36 -0.85 120.40 125.41 2qz3 s VAL 38 Ca -0.04 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.49 2qz3 s VAL 38 Cb -0.11 -0.53 0.11 0.00 0.00 0.00 0.00 36.38 35.84 2qz3 s VAL 38 CO -0.08 0.21 1.25 -0.83 0.00 0.00 0.00 175.10 175.64 2qz3 s GLY 39 N 0.67 -0.31 0.11 4.51 0.00 0.35 -0.46 107.32 112.18 2qz3 s GLY 39 Ca -0.09 0.46 0.10 0.00 0.00 0.00 0.00 44.72 45.20 2qz3 s GLY 39 CO 0.00 1.27 -0.27 0.54 0.00 0.00 0.00 173.10 174.65 2qz3 s LYS 40 N -2.41 1.48 0.00 2.90 1.02 -1.18 -0.50 119.74 121.05 2qz3 s LYS 40 Ca 0.17 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 54.88 2qz3 s LYS 40 Cb 0.03 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 2qz3 s LYS 40 CO -0.02 0.46 0.00 0.41 -0.92 0.00 0.00 175.35 175.28 2qz3 n GLY 41 N 1.12 -0.50 3.06 -3.33 0.00 -0.55 -0.90 105.19 104.11 2qz3 n GLY 41 Ca -0.18 0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2qz3 n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qz3 s TRP 42 N 0.00 1.03 0.42 1.61 0.51 0.28 -1.08 118.94 121.71 2qz3 s TRP 42 Ca 0.00 -0.20 0.12 0.00 -2.12 0.00 0.00 56.10 53.90 2qz3 s TRP 42 Cb 0.00 -0.66 0.90 0.00 -0.81 0.00 0.00 33.47 32.90 2qz3 s TRP 42 CO 0.00 -0.02 1.97 1.79 -0.51 0.00 0.00 176.95 180.18 2qz3 h THR 43 N 4.86 1.14 -3.63 2.01 1.35 -1.86 -0.82 112.91 115.95 2qz3 h THR 43 Ca -0.32 -0.64 -0.66 0.00 -0.55 0.00 0.00 66.41 64.24 2qz3 h THR 43 Cb 1.17 1.20 -0.37 0.00 -1.73 0.00 0.00 68.15 68.42 2qz3 h THR 43 CO 0.49 0.19 -0.81 -0.89 -0.25 0.00 0.00 175.52 174.25 2qz3 s THR 44 N -4.76 2.04 0.81 6.82 2.01 -1.26 -2.41 115.64 118.88 2qz3 s THR 44 Ca -0.05 -1.39 -0.11 0.00 0.31 0.00 0.00 61.69 60.45 2qz3 s THR 44 Cb 0.16 -2.09 0.08 0.00 0.01 0.00 0.00 72.50 70.65 2qz3 s THR 44 CO 0.72 0.11 1.10 -0.83 -0.69 0.00 0.00 174.62 175.02 2qz3 s GLY 45 N 1.19 1.67 -0.04 4.40 0.00 0.78 -4.84 107.32 110.47 2qz3 s GLY 45 Ca -0.05 0.23 -0.03 0.00 0.00 0.00 0.00 44.72 44.87 2qz3 s GLY 45 CO -0.07 0.61 0.10 -0.45 0.00 0.00 0.00 173.10 173.30 2qz3 s SER 46 N -3.33 -0.10 0.00 1.64 0.15 -1.26 -4.85 113.70 105.94 2qz3 s SER 46 Ca 0.62 0.21 0.15 0.00 0.70 0.00 0.00 55.95 57.63 2qz3 s SER 46 Cb -0.18 0.19 0.68 0.00 -1.71 0.00 0.00 66.02 65.00 2qz3 s SER 46 CO 0.56 -0.06 1.46 -0.81 1.20 0.00 0.00 173.24 175.60 2qz3 n PRO 47 N 3.25 0.07 0.00 5.44 -0.04 -1.26 -2.88 135.00 139.58 2qz3 n PRO 47 Ca -0.15 0.21 0.10 0.00 -0.04 0.00 0.00 63.50 63.62 2qz3 n PRO 47 Cb 0.58 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.57 2qz3 n PRO 47 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2qz3 n PHE 48 N -1.43 0.00 -2.30 0.54 3.72 -1.26 -2.80 117.46 113.93 2qz3 n PHE 48 Ca 0.05 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.04 2qz3 n PHE 48 Cb 0.16 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.66 2qz3 n PHE 48 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2qz3 s ARG 49 N -1.98 4.50 -0.31 -1.08 3.52 -1.14 -4.78 118.95 117.69 2qz3 s ARG 49 Ca 0.19 2.00 -0.08 0.00 -0.13 0.00 0.00 55.73 57.71 2qz3 s ARG 49 Cb 0.16 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.42 2qz3 s ARG 49 CO 0.39 0.01 0.12 0.99 -0.81 0.00 0.00 175.30 176.00 2qz3 s THR 50 N -1.09 4.25 -0.17 4.11 2.01 -1.26 -2.63 115.64 120.86 2qz3 s THR 50 Ca 0.47 -0.59 -0.13 0.00 0.31 0.00 0.00 61.69 61.75 2qz3 s THR 50 Cb -0.36 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 2qz3 s THR 50 CO 0.46 0.06 0.27 -0.63 -0.69 0.00 0.00 174.62 174.09 2qz3 s ILE 51 N 1.55 5.32 0.01 1.82 1.09 -0.27 -4.93 121.20 125.79 2qz3 s ILE 51 Ca 0.03 0.49 0.04 0.00 -1.10 0.00 0.00 60.65 60.11 2qz3 s ILE 51 Cb -0.17 -3.60 -0.03 0.00 -1.06 0.00 0.00 42.46 37.59 2qz3 s ILE 51 CO 0.04 0.40 -0.08 0.20 -0.10 0.00 0.00 174.94 175.40 2qz3 s ASN 52 N 0.45 4.55 0.21 3.58 0.01 -0.13 -0.12 114.94 123.48 2qz3 s ASN 52 Ca 0.15 -0.18 -0.18 0.00 -0.71 0.00 0.00 52.86 51.94 2qz3 s ASN 52 Cb -0.13 -1.03 0.03 0.00 0.41 0.00 0.00 41.25 40.53 2qz3 s ASN 52 CO 0.03 0.27 0.55 -0.72 -1.51 0.00 0.00 177.10 175.72 2qz3 s TYR 53 N -1.01 -0.10 -0.13 2.20 1.13 -0.11 -0.90 117.35 118.43 2qz3 s TYR 53 Ca 0.17 -0.25 -0.04 0.00 -1.41 0.00 0.00 57.07 55.55 2qz3 s TYR 53 Cb -0.11 0.42 0.06 0.00 -1.10 0.00 0.00 41.96 41.23 2qz3 s TYR 53 CO 0.08 -0.96 0.15 1.21 -2.51 0.00 0.00 175.55 173.51 2qz3 s ASN 54 N -2.89 1.29 -0.81 -0.18 3.04 -0.27 -0.17 114.94 114.95 2qz3 s ASN 54 Ca 0.10 -0.03 -0.18 0.00 0.04 0.00 0.00 52.86 52.79 2qz3 s ASN 54 Cb -0.02 0.14 0.13 0.00 -1.54 0.00 0.00 41.25 39.97 2qz3 s ASN 54 CO -0.01 -0.29 0.96 0.00 -3.04 0.00 0.00 177.10 174.72 2qz3 s ALA 55 N 2.25 3.47 0.35 1.71 0.00 -1.26 -1.40 121.76 126.89 2qz3 s ALA 55 Ca 0.04 -2.65 0.07 0.00 0.00 0.00 0.00 51.96 49.42 2qz3 s ALA 55 Cb -0.14 -3.83 0.65 0.00 0.00 0.00 0.00 23.12 19.80 2qz3 s ALA 55 CO -0.08 -2.71 1.86 0.78 0.00 0.00 0.00 175.76 175.61 2qz3 h GLY 56 N 9.98 0.39 -6.11 0.00 0.00 -1.28 -1.88 103.07 104.17 2qz3 h GLY 56 Ca 0.01 -0.25 -0.54 0.00 0.00 0.00 0.00 47.33 46.55 2qz3 h GLY 56 CO 1.05 0.23 -0.82 0.14 0.00 0.00 0.00 176.54 177.15 2qz3 s VAL 57 N -4.72 1.21 -0.25 4.60 1.01 -1.04 -4.82 120.40 116.39 2qz3 s VAL 57 Ca -0.06 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 2qz3 s VAL 57 Cb 0.15 -1.13 0.08 0.00 0.00 0.00 0.00 36.38 35.48 2qz3 s VAL 57 CO 0.75 0.38 0.10 0.86 0.00 0.00 0.00 175.10 177.19 2qz3 s TRP 58 N 1.04 0.71 -0.39 5.22 -0.11 -1.26 -1.20 118.94 122.94 2qz3 s TRP 58 Ca -0.07 -0.93 0.09 0.00 1.22 0.00 0.00 56.10 56.41 2qz3 s TRP 58 Cb -0.15 -1.05 0.29 0.00 -1.50 0.00 0.00 33.47 31.07 2qz3 s TRP 58 CO -0.01 -0.73 0.66 0.00 -4.62 0.00 0.00 176.95 172.25 2qz3 n ALA 59 N 5.14 1.80 -1.60 5.86 0.00 -0.11 -5.04 120.51 126.56 2qz3 n ALA 59 Ca -0.06 -3.14 -0.32 0.00 0.00 0.00 0.00 53.44 49.91 2qz3 n ALA 59 Cb 0.44 -0.91 0.03 0.00 0.00 0.00 0.00 19.45 19.01 2qz3 n ALA 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qz3 s PRO 60 N -1.43 3.11 0.00 0.00 0.04 -1.26 -2.06 135.00 133.39 2qz3 s PRO 60 Ca 0.36 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2qz3 s PRO 60 Cb 0.25 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.79 2qz3 s PRO 60 CO -0.11 -0.98 0.00 0.27 0.04 0.00 0.00 177.00 176.22 2qz3 n ASN 61 N -2.37 1.86 0.00 6.66 0.23 0.12 -4.69 115.26 117.07 2qz3 n ASN 61 Ca 0.09 -0.47 0.00 0.00 -0.53 0.00 0.00 54.58 53.67 2qz3 n ASN 61 Cb 0.53 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.23 2qz3 n ASN 61 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qz3 n GLY 62 N 4.65 2.33 3.38 4.83 0.00 -1.26 -3.38 105.19 115.74 2qz3 n GLY 62 Ca 0.00 -0.44 -0.45 0.00 0.00 0.00 0.00 46.02 45.13 2qz3 n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qz3 s ASN 63 N -4.00 6.23 -0.05 1.61 0.01 -1.22 -2.28 114.94 115.24 2qz3 s ASN 63 Ca 0.00 -1.50 -0.02 0.00 -0.71 0.00 0.00 52.86 50.63 2qz3 s ASN 63 Cb 0.00 -2.31 0.04 0.00 0.41 0.00 0.00 41.25 39.39 2qz3 s ASN 63 CO 0.00 -1.11 0.10 -0.83 -1.51 0.00 0.00 177.10 173.75 2qz3 s GLY 64 N 3.58 0.06 -0.02 0.66 0.00 -1.25 -1.05 107.32 109.29 2qz3 s GLY 64 Ca 0.13 0.47 0.06 0.00 0.00 0.00 0.00 44.72 45.39 2qz3 s GLY 64 CO 0.05 1.05 -0.19 -0.19 0.00 0.00 0.00 173.10 173.81 2qz3 s TYR 65 N 1.44 1.75 -0.42 1.90 2.02 0.22 -2.21 117.35 122.04 2qz3 s TYR 65 Ca -0.05 -0.34 -0.15 0.00 -0.37 0.00 0.00 57.07 56.16 2qz3 s TYR 65 Cb -0.12 -1.13 0.04 0.00 -0.40 0.00 0.00 41.96 40.35 2qz3 s TYR 65 CO -0.05 -0.04 0.31 -1.17 -1.57 0.00 0.00 175.55 173.04 2qz3 s LEU 66 N -0.43 5.21 -0.17 -1.29 2.96 -0.19 -1.51 118.68 123.25 2qz3 s LEU 66 Ca 0.07 -1.03 -0.14 0.00 -0.22 0.00 0.00 54.13 52.81 2qz3 s LEU 66 Cb -0.08 -2.15 0.05 0.00 0.50 0.00 0.00 46.19 44.51 2qz3 s LEU 66 CO -0.01 -0.50 0.44 0.28 -1.32 0.00 0.00 176.35 175.25 2qz3 s THR 67 N 1.65 -0.01 0.36 3.68 -1.32 -0.43 -0.59 115.64 118.98 2qz3 s THR 67 Ca 0.04 0.02 -0.28 0.00 -1.21 0.00 0.00 61.69 60.26 2qz3 s THR 67 Cb -0.20 -0.62 -0.11 0.00 -1.51 0.00 0.00 72.50 70.05 2qz3 s THR 67 CO 0.09 0.01 1.44 -0.22 -2.21 0.00 0.00 174.62 173.72 2qz3 s LEU 68 N 0.51 4.35 -0.10 9.08 2.96 0.02 0.17 118.68 135.66 2qz3 s LEU 68 Ca -0.02 2.94 -0.05 0.00 -0.22 0.00 0.00 54.13 56.77 2qz3 s LEU 68 Cb -0.04 -3.66 0.04 0.00 0.50 0.00 0.00 46.19 43.03 2qz3 s LEU 68 CO -0.03 -0.77 0.24 -0.47 -1.32 0.00 0.00 176.35 174.00 2qz3 s TYR 69 N -1.07 -0.32 0.23 5.38 5.04 0.21 -1.23 117.35 125.59 2qz3 s TYR 69 Ca 0.52 0.76 -0.21 0.00 -2.44 0.00 0.00 57.07 55.70 2qz3 s TYR 69 Cb -0.45 0.04 0.07 0.00 0.35 0.00 0.00 41.96 41.97 2qz3 s TYR 69 CO 0.59 -0.23 0.96 0.20 -1.34 0.00 0.00 175.55 175.74 2qz3 s GLY 70 N 1.21 0.09 0.10 8.97 0.00 -0.89 0.11 107.32 116.92 2qz3 s GLY 70 Ca -0.09 -0.33 0.05 0.00 0.00 0.00 0.00 44.72 44.35 2qz3 s GLY 70 CO -0.08 1.22 -0.14 -0.98 0.00 0.00 0.00 173.10 173.13 2qz3 s TRP 71 N -2.49 1.29 0.27 1.90 0.52 -1.05 -0.77 118.94 118.61 2qz3 s TRP 71 Ca 0.18 -0.54 0.09 0.00 0.02 0.00 0.00 56.10 55.85 2qz3 s TRP 71 Cb -0.03 -0.69 -0.05 0.00 -1.15 0.00 0.00 33.47 31.54 2qz3 s TRP 71 CO 0.06 0.09 -0.13 0.95 0.02 0.00 0.00 176.95 177.94 2qz3 s THR 72 N -1.89 2.03 0.29 2.01 -4.23 -0.41 -1.97 115.64 111.47 2qz3 s THR 72 Ca 0.05 -2.25 0.12 0.00 -1.18 0.00 0.00 61.69 58.42 2qz3 s THR 72 Cb -0.06 -2.32 -0.05 0.00 1.34 0.00 0.00 72.50 71.40 2qz3 s THR 72 CO 0.02 -0.40 -0.18 -0.13 -0.54 0.00 0.00 174.62 173.39 2qz3 s ARG 73 N -3.62 1.72 -0.87 3.99 0.52 0.13 -1.59 118.95 119.22 2qz3 s ARG 73 Ca 0.28 -1.77 -0.04 0.00 -0.52 0.00 0.00 55.73 53.68 2qz3 s ARG 73 Cb -0.00 -1.78 -0.04 0.00 0.52 0.00 0.00 34.95 33.64 2qz3 s ARG 73 CO 0.12 0.31 0.76 0.43 0.02 0.00 0.00 175.30 176.94 2qz3 n SER 74 N -0.65 -4.79 -4.95 0.23 7.64 -1.26 -1.95 113.62 107.89 2qz3 n SER 74 Ca -0.05 -0.55 -0.23 0.00 1.01 0.00 0.00 58.87 59.04 2qz3 n SER 74 Cb 0.60 -4.27 0.04 0.00 -1.01 0.00 0.00 64.21 59.57 2qz3 n SER 74 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2qz3 s PRO 75 N -4.37 2.52 -0.31 1.43 0.04 -1.26 -2.32 135.00 130.73 2qz3 s PRO 75 Ca 0.27 -0.50 -0.29 0.00 0.04 0.00 0.00 61.00 60.53 2qz3 s PRO 75 Cb -0.04 -2.37 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 2qz3 s PRO 75 CO 0.59 -0.85 1.69 -1.17 0.04 0.00 0.00 177.00 177.31 2qz3 s LEU 76 N -4.93 3.62 -0.02 -3.56 2.96 -1.26 -4.02 118.68 111.47 2qz3 s LEU 76 Ca 0.57 1.31 0.01 0.00 -0.22 0.00 0.00 54.13 55.81 2qz3 s LEU 76 Cb -0.10 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.07 2qz3 s LEU 76 CO 0.41 -1.55 -0.03 -0.63 -1.32 0.00 0.00 176.35 173.23 2qz3 s ILE 77 N 6.21 0.36 -0.20 6.68 1.01 -0.62 -3.88 121.20 130.75 2qz3 s ILE 77 Ca 0.75 -0.09 -0.09 0.00 0.00 0.00 0.00 60.65 61.23 2qz3 s ILE 77 Cb -0.22 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 2qz3 s ILE 77 CO 0.33 0.15 0.10 -0.70 0.00 0.00 0.00 174.94 174.82 2qz3 s GLU 78 N 0.55 4.06 0.16 2.79 2.12 -0.79 -1.28 118.70 126.30 2qz3 s GLU 78 Ca -0.06 -0.29 0.08 0.00 0.36 0.00 0.00 54.97 55.05 2qz3 s GLU 78 Cb -0.09 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 2qz3 s GLU 78 CO -0.01 0.24 -0.16 1.52 -0.54 0.00 0.00 175.26 176.31 2qz3 s TYR 79 N 0.50 1.69 -0.00 5.30 -0.85 0.05 -1.16 117.35 122.88 2qz3 s TYR 79 Ca 0.06 -0.52 0.01 0.00 -0.52 0.00 0.00 57.07 56.09 2qz3 s TYR 79 Cb -0.12 -0.84 -0.00 0.00 0.38 0.00 0.00 41.96 41.38 2qz3 s TYR 79 CO 0.00 0.29 -0.02 0.71 -1.52 0.00 0.00 175.55 175.01 2qz3 s TYR 80 N -2.31 0.22 -0.33 -3.49 1.51 -0.24 -2.09 117.35 110.61 2qz3 s TYR 80 Ca 0.16 -0.04 0.03 0.00 -1.01 0.00 0.00 57.07 56.21 2qz3 s TYR 80 Cb -0.04 -0.15 0.10 0.00 -0.11 0.00 0.00 41.96 41.76 2qz3 s TYR 80 CO 0.06 -0.01 0.05 0.08 -1.11 0.00 0.00 175.55 174.62 2qz3 s VAL 81 N -0.02 2.05 -0.34 0.71 1.01 -0.36 -1.12 120.40 122.33 2qz3 s VAL 81 Ca 0.01 -2.17 -0.21 0.00 0.00 0.00 0.00 61.98 59.61 2qz3 s VAL 81 Cb -0.01 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.86 2qz3 s VAL 81 CO -0.00 -0.59 0.67 -0.69 0.00 0.00 0.00 175.10 174.50 2qz3 s VAL 82 N 1.02 4.87 -0.07 2.92 1.01 0.83 -0.80 120.40 130.18 2qz3 s VAL 82 Ca 0.10 0.75 0.02 0.00 0.00 0.00 0.00 61.98 62.86 2qz3 s VAL 82 Cb -0.19 -4.09 -0.25 0.00 0.00 0.00 0.00 36.38 31.86 2qz3 s VAL 82 CO -0.10 -0.29 0.56 0.44 0.00 0.00 0.00 175.10 175.71 2qz3 h ASP 83 N 8.37 0.22 -5.29 3.32 3.32 -1.16 -0.25 116.42 124.95 2qz3 h ASP 83 Ca -0.26 -0.47 -0.09 0.00 0.02 0.00 0.00 57.03 56.23 2qz3 h ASP 83 Cb 1.11 -0.07 -0.10 0.00 0.22 0.00 0.00 39.33 40.48 2qz3 h ASP 83 CO 0.84 1.42 -0.21 -0.55 -1.72 0.00 0.00 179.24 179.03 2qz3 s SER 84 N -6.61 -0.05 0.21 6.45 0.15 -1.08 -0.47 113.70 112.30 2qz3 s SER 84 Ca -0.13 -0.98 -0.06 0.00 0.70 0.00 0.00 55.95 55.48 2qz3 s SER 84 Cb 0.07 0.54 0.02 0.00 -1.71 0.00 0.00 66.02 64.95 2qz3 s SER 84 CO 0.80 -1.07 0.38 -2.67 1.20 0.00 0.00 173.24 171.88 2qz3 n TRP 85 N -0.35 -1.53 0.00 3.44 2.14 -1.26 -1.02 117.44 118.86 2qz3 n TRP 85 Ca -0.02 -1.07 0.00 0.00 2.07 0.00 0.00 57.50 58.48 2qz3 n TRP 85 Cb 0.63 0.44 0.00 0.00 -0.81 0.00 0.00 31.31 31.57 2qz3 n TRP 85 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2qz3 n GLY 86 N -0.29 0.52 0.24 -1.67 0.00 -0.94 -4.82 105.19 98.23 2qz3 n GLY 86 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 2qz3 n GLY 86 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qz3 h THR 87 N 0.00 1.28 -3.21 2.61 2.02 -1.73 -3.45 112.91 110.43 2qz3 h THR 87 Ca 0.00 -1.78 -0.67 0.00 0.77 0.00 0.00 66.41 64.73 2qz3 h THR 87 Cb 0.00 1.74 -0.33 0.00 -1.74 0.00 0.00 68.15 67.82 2qz3 h THR 87 CO 0.00 0.57 -0.84 -0.31 0.37 0.00 0.00 175.52 175.31 2qz3 s TYR 88 N -4.03 2.74 -0.03 3.16 1.51 -1.20 -5.01 117.35 114.48 2qz3 s TYR 88 Ca -0.11 -1.29 -0.28 0.00 -1.01 0.00 0.00 57.07 54.38 2qz3 s TYR 88 Cb 0.09 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 40.04 2qz3 s TYR 88 CO 0.89 -0.60 0.90 0.50 -1.11 0.00 0.00 175.55 176.13 2qz3 s ARG 89 N 0.93 4.51 0.25 -0.62 3.52 -1.26 -4.74 118.95 121.54 2qz3 s ARG 89 Ca -0.04 1.26 -0.30 0.00 -0.13 0.00 0.00 55.73 56.53 2qz3 s ARG 89 Cb -0.15 -3.47 -0.09 0.00 -1.56 0.00 0.00 34.95 29.68 2qz3 s ARG 89 CO -0.03 -0.05 1.19 -1.25 -0.81 0.00 0.00 175.30 174.35 2qz3 s PRO 90 N 1.06 4.52 0.18 5.12 0.04 -1.26 -5.03 135.00 139.62 2qz3 s PRO 90 Ca 0.47 1.93 -0.02 0.00 0.04 0.00 0.00 61.00 63.43 2qz3 s PRO 90 Cb -0.20 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 2qz3 s PRO 90 CO 0.24 -0.00 0.13 0.99 0.04 0.00 0.00 177.00 178.40 2qz3 s THR 91 N -0.68 0.03 0.00 1.26 2.01 -1.26 -4.92 115.64 112.08 2qz3 s THR 91 Ca 0.49 -1.92 0.00 0.00 0.31 0.00 0.00 61.69 60.57 2qz3 s THR 91 Cb -0.34 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 69.84 2qz3 s THR 91 CO 0.42 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 2qz3 n GLY 92 N -0.22 3.16 3.62 4.40 0.00 -1.26 -4.99 105.19 109.89 2qz3 n GLY 92 Ca -0.01 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2qz3 n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qz3 s THR 93 N 0.32 4.67 0.02 2.61 2.01 0.15 -4.85 115.64 120.58 2qz3 s THR 93 Ca 0.00 1.40 -0.30 0.00 0.31 0.00 0.00 61.69 63.10 2qz3 s THR 93 Cb 0.00 -4.26 -0.06 0.00 0.01 0.00 0.00 72.50 68.19 2qz3 s THR 93 CO 0.00 -0.35 1.41 -0.47 -0.69 0.00 0.00 174.62 174.51 2qz3 s TYR 94 N 3.25 2.90 -0.20 4.92 5.04 -1.26 -1.59 117.35 130.41 2qz3 s TYR 94 Ca 0.38 0.82 -0.01 0.00 -2.44 0.00 0.00 57.07 55.82 2qz3 s TYR 94 Cb -0.13 -3.67 -0.12 0.00 0.35 0.00 0.00 41.96 38.38 2qz3 s TYR 94 CO 0.14 -2.48 -0.19 1.63 -1.34 0.00 0.00 175.55 173.31 2qz3 n LYS 95 N 5.16 0.48 -3.75 4.97 4.76 0.44 -4.99 118.16 125.23 2qz3 n LYS 95 Ca 0.13 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 2qz3 n LYS 95 Cb 0.43 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 2qz3 n LYS 95 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qz3 n GLY 96 N 2.40 -0.65 3.22 0.72 0.00 -1.23 -5.00 105.19 104.65 2qz3 n GLY 96 Ca -0.36 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 2qz3 n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qz3 s THR 97 N -3.00 0.68 -0.06 2.61 -4.23 -1.26 0.28 115.64 110.66 2qz3 s THR 97 Ca 0.00 -1.97 -0.04 0.00 -1.18 0.00 0.00 61.69 58.50 2qz3 s THR 97 Cb 0.00 -2.00 0.02 0.00 1.34 0.00 0.00 72.50 71.86 2qz3 s THR 97 CO 0.00 -0.58 0.14 0.54 -0.54 0.00 0.00 174.62 174.18 2qz3 s VAL 98 N -3.65 -0.02 -0.20 2.29 0.11 -0.22 -4.91 120.40 113.80 2qz3 s VAL 98 Ca 0.21 0.07 -0.12 0.00 -2.93 0.00 0.00 61.98 59.21 2qz3 s VAL 98 Cb 0.06 -0.21 -0.05 0.00 -1.53 0.00 0.00 36.38 34.65 2qz3 s VAL 98 CO 0.02 0.03 0.24 -0.54 -3.33 0.00 0.00 175.10 171.52 2qz3 s LYS 99 N 0.52 4.18 -0.24 1.54 1.02 -1.26 -0.55 119.74 124.94 2qz3 s LYS 99 Ca -0.04 -0.05 -0.23 0.00 0.02 0.00 0.00 55.97 55.67 2qz3 s LYS 99 Cb -0.05 -3.47 0.06 0.00 -0.52 0.00 0.00 37.83 33.85 2qz3 s LYS 99 CO -0.02 0.16 0.66 0.45 -0.92 0.00 0.00 175.35 175.67 2qz3 s SER 100 N 0.70 -0.68 -1.53 2.83 0.15 -0.39 -4.98 113.70 109.80 2qz3 s SER 100 Ca 0.13 1.31 -0.12 0.00 0.70 0.00 0.00 55.95 57.97 2qz3 s SER 100 Cb -0.13 1.33 0.08 0.00 -1.71 0.00 0.00 66.02 65.59 2qz3 s SER 100 CO 0.03 -0.23 0.84 0.47 1.20 0.00 0.00 173.24 175.54 2qz3 n ASP 101 N 2.69 -3.45 0.00 5.45 8.00 -1.26 -1.48 116.55 126.50 2qz3 n ASP 101 Ca -0.14 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.49 2qz3 n ASP 101 Cb 0.55 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 38.11 2qz3 n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qz3 n GLY 102 N -1.64 0.79 3.37 0.44 0.00 -1.26 -4.96 105.19 101.93 2qz3 n GLY 102 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 2qz3 n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qz3 s GLY 103 N -2.00 1.52 -0.18 -0.02 0.00 -0.55 -5.13 107.32 100.96 2qz3 s GLY 103 Ca 0.00 -1.60 -0.06 0.00 0.00 0.00 0.00 44.72 43.06 2qz3 s GLY 103 CO 0.00 -1.67 0.03 -1.59 0.00 0.00 0.00 173.10 169.87 2qz3 s THR 104 N -2.25 4.44 -0.02 0.90 2.01 -1.26 -1.27 115.64 118.19 2qz3 s THR 104 Ca 0.20 -0.16 0.06 0.00 0.31 0.00 0.00 61.69 62.10 2qz3 s THR 104 Cb -0.05 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 2qz3 s THR 104 CO 0.08 0.46 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.99 2qz3 s TYR 105 N 0.46 2.58 0.10 4.92 1.51 0.28 -0.84 117.35 126.37 2qz3 s TYR 105 Ca 0.01 -0.25 -0.25 0.00 -1.01 0.00 0.00 57.07 55.57 2qz3 s TYR 105 Cb -0.13 -1.55 -0.07 0.00 -0.11 0.00 0.00 41.96 40.10 2qz3 s TYR 105 CO 0.01 0.16 0.77 -0.51 -1.11 0.00 0.00 175.55 174.87 2qz3 s ASP 106 N -0.92 7.29 -0.23 2.29 1.01 0.38 -1.06 116.67 125.43 2qz3 s ASP 106 Ca 0.12 1.53 -0.12 0.00 0.71 0.00 0.00 52.55 54.80 2qz3 s ASP 106 Cb -0.10 -2.48 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 2qz3 s ASP 106 CO 0.02 0.10 0.22 -0.63 0.21 0.00 0.00 175.17 175.09 2qz3 s ILE 107 N -0.55 5.32 0.10 0.77 1.01 0.14 -0.63 121.20 127.36 2qz3 s ILE 107 Ca 0.37 0.31 0.06 0.00 0.00 0.00 0.00 60.65 61.39 2qz3 s ILE 107 Cb -0.22 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 2qz3 s ILE 107 CO 0.24 0.31 -0.16 -0.31 0.00 0.00 0.00 174.94 175.03 2qz3 s TYR 108 N 1.19 1.44 0.07 3.97 2.02 -0.43 -0.42 117.35 125.19 2qz3 s TYR 108 Ca 0.10 -0.48 0.08 0.00 -0.37 0.00 0.00 57.07 56.40 2qz3 s TYR 108 Cb -0.14 -0.78 -0.04 0.00 -0.40 0.00 0.00 41.96 40.60 2qz3 s TYR 108 CO 0.06 0.13 -0.17 0.95 -1.57 0.00 0.00 175.55 174.95 2qz3 s THR 109 N -1.57 2.88 0.18 -0.71 -4.23 -0.62 -0.64 115.64 110.94 2qz3 s THR 109 Ca 0.04 -1.29 -0.00 0.00 -1.18 0.00 0.00 61.69 59.26 2qz3 s THR 109 Cb -0.08 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.45 2qz3 s THR 109 CO 0.03 0.24 0.08 0.42 -0.54 0.00 0.00 174.62 174.85 2qz3 s THR 110 N -1.03 0.19 -0.07 3.99 -4.23 -0.90 -0.67 115.64 112.92 2qz3 s THR 110 Ca 0.16 -1.97 0.03 0.00 -1.18 0.00 0.00 61.69 58.74 2qz3 s THR 110 Cb -0.11 -2.31 0.01 0.00 1.34 0.00 0.00 72.50 71.43 2qz3 s THR 110 CO 0.08 -0.22 -0.16 -0.89 -0.54 0.00 0.00 174.62 172.88 2qz3 s THR 111 N -4.01 1.40 -0.16 3.99 2.01 -1.26 -1.20 115.64 116.40 2qz3 s THR 111 Ca 0.32 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.60 2qz3 s THR 111 Cb 0.07 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 2qz3 s THR 111 CO 0.08 0.41 0.05 -0.13 -0.69 0.00 0.00 174.62 174.33 2qz3 s ARG 112 N 0.43 3.80 0.02 4.92 1.81 -0.25 -4.99 118.95 124.69 2qz3 s ARG 112 Ca -0.13 -0.36 0.07 0.00 -1.72 0.00 0.00 55.73 53.59 2qz3 s ARG 112 Cb -0.15 -3.13 -0.03 0.00 -0.45 0.00 0.00 34.95 31.19 2qz3 s ARG 112 CO 0.04 0.35 -0.19 0.71 -0.68 0.00 0.00 175.30 175.53 2qz3 s TYR 113 N 0.14 2.54 -1.40 -0.53 1.51 -1.26 -1.62 117.35 116.74 2qz3 s TYR 113 Ca 0.04 -0.27 -0.01 0.00 -1.01 0.00 0.00 57.07 55.82 2qz3 s TYR 113 Cb -0.12 -1.49 0.01 0.00 -0.11 0.00 0.00 41.96 40.25 2qz3 s TYR 113 CO 0.01 0.21 0.52 0.09 -1.11 0.00 0.00 175.55 175.27 2qz3 n ASN 114 N 1.77 -0.82 -4.24 2.29 3.02 -0.61 -4.90 115.26 111.78 2qz3 n ASN 114 Ca -0.16 -0.95 -0.18 0.00 -0.03 0.00 0.00 54.58 53.25 2qz3 n ASN 114 Cb 0.52 -3.31 -0.11 0.00 -0.61 0.00 0.00 39.78 36.27 2qz3 n ASN 114 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qz3 s ALA 115 N -3.83 1.48 0.48 5.41 0.00 0.73 -4.57 121.76 121.46 2qz3 s ALA 115 Ca 0.06 -1.28 -0.23 0.00 0.00 0.00 0.00 51.96 50.52 2qz3 s ALA 115 Cb -0.03 -0.08 -0.07 0.00 0.00 0.00 0.00 23.12 22.94 2qz3 s ALA 115 CO 0.87 0.11 1.22 -2.14 0.00 0.00 0.00 175.76 175.82 2qz3 s PRO 116 N -2.61 3.60 0.34 0.00 0.02 -1.01 -0.08 135.00 135.27 2qz3 s PRO 116 Ca 0.08 1.91 -0.06 0.00 0.02 0.00 0.00 61.00 62.96 2qz3 s PRO 116 Cb -0.05 -2.38 0.03 0.00 0.02 0.00 0.00 34.50 32.11 2qz3 s PRO 116 CO 0.03 -0.72 0.56 -1.13 -0.33 0.00 0.00 177.00 175.41 2qz3 n SER 117 N -0.60 -1.60 0.11 2.53 3.41 -0.16 -4.89 113.62 112.42 2qz3 n SER 117 Ca 0.08 -2.66 0.10 0.00 -0.26 0.00 0.00 58.87 56.13 2qz3 n SER 117 Cb 0.47 2.82 0.45 0.00 -0.26 0.00 0.00 64.21 67.69 2qz3 n SER 117 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2qz3 n ILE 118 N -0.52 1.03 1.02 -1.33 -5.35 -1.26 -2.55 119.36 110.40 2qz3 n ILE 118 Ca -0.03 0.42 0.11 0.00 -0.27 0.00 0.00 62.75 62.98 2qz3 n ILE 118 Cb 0.55 -1.36 -0.01 0.00 -1.74 0.00 0.00 39.64 37.08 2qz3 n ILE 118 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2qz3 n ASP 119 N -2.08 1.34 0.00 7.28 8.00 -1.26 -5.06 116.55 124.77 2qz3 n ASP 119 Ca 0.01 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.39 2qz3 n ASP 119 Cb 0.14 0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 2qz3 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qz3 n GLY 120 N 1.46 -0.07 0.10 0.44 0.00 -1.06 -4.99 105.19 101.07 2qz3 n GLY 120 Ca 0.07 -1.51 -0.05 0.00 0.00 0.00 0.00 46.02 44.53 2qz3 n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qz3 h ASP 121 N 0.00 0.05 -3.14 1.61 3.32 -1.84 -0.40 116.42 116.02 2qz3 h ASP 121 Ca 0.00 -0.04 -0.59 0.00 0.02 0.00 0.00 57.03 56.42 2qz3 h ASP 121 Cb 0.00 -0.01 -0.40 0.00 0.22 0.00 0.00 39.33 39.14 2qz3 h ASP 121 CO 0.00 0.86 -0.77 -0.13 -1.72 0.00 0.00 179.24 177.48 2qz3 s ARG 122 N -3.14 0.88 0.23 3.56 0.52 -1.25 -2.40 118.95 117.35 2qz3 s ARG 122 Ca -0.01 -1.50 0.01 0.00 -0.52 0.00 0.00 55.73 53.72 2qz3 s ARG 122 Cb 0.11 -1.91 -0.05 0.00 0.52 0.00 0.00 34.95 33.62 2qz3 s ARG 122 CO 0.80 -1.12 0.06 0.95 0.02 0.00 0.00 175.30 176.02 2qz3 s THR 123 N 0.98 0.59 -0.05 0.02 -4.23 0.88 -4.66 115.64 109.16 2qz3 s THR 123 Ca 0.15 -1.99 0.05 0.00 -1.18 0.00 0.00 61.69 58.72 2qz3 s THR 123 Cb -0.22 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 2qz3 s THR 123 CO -0.08 -0.16 -0.21 -0.89 -0.54 0.00 0.00 174.62 172.73 2qz3 s THR 124 N -3.73 1.78 0.07 3.99 2.01 -1.26 -0.19 115.64 118.31 2qz3 s THR 124 Ca 0.33 -0.91 -0.26 0.00 0.31 0.00 0.00 61.69 61.16 2qz3 s THR 124 Cb 0.07 -1.52 0.07 0.00 0.01 0.00 0.00 72.50 71.14 2qz3 s THR 124 CO 0.10 0.50 0.63 0.72 -0.69 0.00 0.00 174.62 175.89 2qz3 s PHE 125 N -0.04 -0.59 0.19 4.92 -0.71 -0.64 -5.01 117.98 116.11 2qz3 s PHE 125 Ca -0.05 0.66 -0.16 0.00 -1.04 0.00 0.00 56.93 56.35 2qz3 s PHE 125 Cb -0.13 0.49 -0.08 0.00 -1.21 0.00 0.00 43.02 42.10 2qz3 s PHE 125 CO 0.03 -0.75 0.62 0.99 -1.34 0.00 0.00 175.22 174.78 2qz3 s THR 126 N -2.67 4.75 -0.12 -4.49 2.01 -1.25 -1.09 115.64 112.78 2qz3 s THR 126 Ca -0.04 0.96 -0.00 0.00 0.31 0.00 0.00 61.69 62.92 2qz3 s THR 126 Cb -0.01 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 2qz3 s THR 126 CO -0.03 0.17 -0.11 -1.10 -0.69 0.00 0.00 174.62 172.85 2qz3 s GLN 127 N -2.12 3.31 -0.13 4.92 -0.21 -0.34 -1.89 119.66 123.21 2qz3 s GLN 127 Ca 0.42 -0.65 -0.05 0.00 0.02 0.00 0.00 55.36 55.09 2qz3 s GLN 127 Cb -0.15 -2.65 -0.04 0.00 1.00 0.00 0.00 33.01 31.18 2qz3 s GLN 127 CO 0.20 0.28 0.06 0.71 -2.12 0.00 0.00 175.29 174.42 2qz3 s TYR 128 N 0.18 3.31 -0.02 0.91 2.02 -0.31 -2.13 117.35 121.31 2qz3 s TYR 128 Ca -0.06 0.23 0.03 0.00 -0.37 0.00 0.00 57.07 56.90 2qz3 s TYR 128 Cb -0.15 -1.93 -0.00 0.00 -0.40 0.00 0.00 41.96 39.48 2qz3 s TYR 128 CO 0.05 0.43 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.75 2qz3 s TRP 129 N -0.49 1.18 -0.16 2.71 0.52 0.19 -1.08 118.94 121.81 2qz3 s TRP 129 Ca 0.10 -0.28 -0.00 0.00 0.02 0.00 0.00 56.10 55.94 2qz3 s TRP 129 Cb -0.12 -0.80 -0.00 0.00 -1.15 0.00 0.00 33.47 31.40 2qz3 s TRP 129 CO 0.02 -0.08 -0.13 -1.12 0.02 0.00 0.00 176.95 175.65 2qz3 s SER 130 N -0.02 3.81 -0.14 2.95 0.01 -0.28 -1.31 113.70 118.73 2qz3 s SER 130 Ca -0.00 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 56.84 2qz3 s SER 130 Cb -0.08 -1.60 0.02 0.00 0.21 0.00 0.00 66.02 64.57 2qz3 s SER 130 CO 0.00 0.09 -0.16 -0.69 0.41 0.00 0.00 173.24 172.89 2qz3 s VAL 131 N 0.81 1.68 0.46 3.43 1.01 0.20 -0.12 120.40 127.85 2qz3 s VAL 131 Ca -0.05 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 60.96 2qz3 s VAL 131 Cb -0.15 -1.54 -0.08 0.00 0.00 0.00 0.00 36.38 34.61 2qz3 s VAL 131 CO 0.00 0.48 1.43 -0.60 0.00 0.00 0.00 175.10 176.41 2qz3 s ARG 132 N 1.19 3.65 0.29 2.72 3.52 -0.11 -0.47 118.95 129.75 2qz3 s ARG 132 Ca -0.01 2.42 0.05 0.00 -0.13 0.00 0.00 55.73 58.06 2qz3 s ARG 132 Cb -0.14 -2.64 0.45 0.00 -1.56 0.00 0.00 34.95 31.06 2qz3 s ARG 132 CO -0.06 -0.84 1.71 1.96 -0.81 0.00 0.00 175.30 177.25 2qz3 h GLN 133 N 2.28 0.33 -5.12 5.12 4.20 -1.34 -3.44 115.11 117.14 2qz3 h GLN 133 Ca -0.51 -0.14 -0.34 0.00 0.06 0.00 0.00 58.65 57.72 2qz3 h GLN 133 Cb 1.27 -0.01 -0.15 0.00 0.30 0.00 0.00 27.48 28.88 2qz3 h GLN 133 CO 0.61 0.64 -0.72 -1.54 -0.67 0.00 0.00 178.83 177.15 2qz3 s SER 134 N -6.86 1.81 0.19 1.46 1.04 -1.26 -5.09 113.70 104.99 2qz3 s SER 134 Ca -0.05 -0.97 -0.32 0.00 0.48 0.00 0.00 55.95 55.09 2qz3 s SER 134 Cb 0.14 -0.02 -0.11 0.00 0.10 0.00 0.00 66.02 66.12 2qz3 s SER 134 CO 0.78 -0.30 1.65 -0.54 0.98 0.00 0.00 173.24 175.82 2qz3 s LYS 135 N -3.51 4.17 0.23 4.02 1.02 -1.26 -4.93 119.74 119.47 2qz3 s LYS 135 Ca 0.15 2.50 -0.30 0.00 0.02 0.00 0.00 55.97 58.33 2qz3 s LYS 135 Cb 0.01 -3.12 -0.10 0.00 -0.52 0.00 0.00 37.83 34.10 2qz3 s LYS 135 CO 0.01 -0.69 1.47 0.50 -0.92 0.00 0.00 175.35 175.72 2qz3 s ARG 136 N 1.19 4.25 0.37 1.68 3.52 0.38 -4.99 118.95 125.35 2qz3 s ARG 136 Ca 0.73 2.32 -0.26 0.00 -0.13 0.00 0.00 55.73 58.38 2qz3 s ARG 136 Cb -0.47 -3.12 -0.12 0.00 -1.56 0.00 0.00 34.95 29.69 2qz3 s ARG 136 CO 0.32 -0.47 1.16 -2.30 -0.81 0.00 0.00 175.30 173.20 2qz3 n PRO 137 N 2.69 1.73 -4.40 5.12 -0.02 -1.26 -4.80 135.00 134.05 2qz3 n PRO 137 Ca 0.08 0.61 -0.24 0.00 -2.02 0.00 0.00 63.50 61.93 2qz3 n PRO 137 Cb 0.40 -2.17 -0.09 0.00 -0.02 0.00 0.00 33.50 31.62 2qz3 n PRO 137 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2qz3 s THR 138 N -1.16 2.73 0.00 3.45 -4.23 -1.26 -4.77 115.64 110.40 2qz3 s THR 138 Ca 0.59 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 2qz3 s THR 138 Cb -0.58 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 70.67 2qz3 s THR 138 CO 0.60 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 2qz3 n GLY 139 N -0.79 0.79 3.68 3.99 0.00 -0.71 -4.99 105.19 107.16 2qz3 n GLY 139 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 2qz3 n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qz3 s SER 140 N -1.93 4.45 0.23 1.61 0.01 -1.26 -4.85 113.70 111.97 2qz3 s SER 140 Ca 0.00 -0.86 -0.31 0.00 1.31 0.00 0.00 55.95 56.09 2qz3 s SER 140 Cb 0.00 -0.65 -0.11 0.00 0.21 0.00 0.00 66.02 65.48 2qz3 s SER 140 CO 0.00 -0.25 1.54 0.20 0.41 0.00 0.00 173.24 175.14 2qz3 s ASN 141 N -3.78 6.54 0.06 2.44 0.01 -1.26 -4.52 114.94 114.43 2qz3 s ASN 141 Ca 0.36 2.74 0.04 0.00 -0.71 0.00 0.00 52.86 55.29 2qz3 s ASN 141 Cb -0.02 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.00 2qz3 s ASN 141 CO 0.21 -0.82 -0.11 0.00 -1.51 0.00 0.00 177.10 174.87 2qz3 s ALA 142 N 0.46 0.90 0.05 0.60 0.00 0.77 -4.99 121.76 119.54 2qz3 s ALA 142 Ca 0.65 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 51.76 2qz3 s ALA 142 Cb -0.45 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 2qz3 s ALA 142 CO 0.40 0.05 -0.22 0.95 0.00 0.00 0.00 175.76 176.94 2qz3 s THR 143 N -1.51 1.75 -0.26 0.00 -4.23 -1.26 -0.94 115.64 109.19 2qz3 s THR 143 Ca -0.04 -1.26 0.01 0.00 -1.18 0.00 0.00 61.69 59.22 2qz3 s THR 143 Cb -0.09 -1.52 0.05 0.00 1.34 0.00 0.00 72.50 72.28 2qz3 s THR 143 CO 0.01 0.21 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.59 2qz3 s ILE 144 N -0.83 2.51 -1.03 2.99 1.01 0.82 -4.80 121.20 121.88 2qz3 s ILE 144 Ca 0.08 -1.40 -0.19 0.00 0.00 0.00 0.00 60.65 59.14 2qz3 s ILE 144 Cb -0.09 -2.39 0.12 0.00 0.01 0.00 0.00 42.46 40.10 2qz3 s ILE 144 CO 0.02 0.04 1.29 -0.89 0.00 0.00 0.00 174.94 175.40 2qz3 s THR 145 N 1.20 4.57 0.44 2.92 2.01 -1.26 -1.12 115.64 124.40 2qz3 s THR 145 Ca -0.05 -1.63 0.10 0.00 0.31 0.00 0.00 61.69 60.42 2qz3 s THR 145 Cb -0.19 -4.89 0.25 0.00 0.01 0.00 0.00 72.50 67.68 2qz3 s THR 145 CO -0.05 -1.66 2.06 0.15 -0.69 0.00 0.00 174.62 174.44 2qz3 h PHE 146 N 8.64 0.32 -0.87 4.92 3.57 -1.81 -1.71 116.94 130.00 2qz3 h PHE 146 Ca 0.22 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.85 2qz3 h PHE 146 Cb 0.98 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.55 2qz3 h PHE 146 CO 1.20 0.24 0.57 0.66 -2.23 0.00 0.00 178.31 178.74 2qz3 h SER 147 N 0.34 0.66 -0.82 0.41 4.64 -1.70 -0.06 113.55 117.03 2qz3 h SER 147 Ca 0.09 0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.48 2qz3 h SER 147 Cb 0.03 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 61.97 2qz3 h SER 147 CO -0.01 0.35 0.52 0.78 -0.87 0.00 0.00 176.83 177.59 2qz3 h ASN 148 N 0.71 0.84 -0.07 4.97 -0.26 -1.63 0.10 115.58 120.25 2qz3 h ASN 148 Ca 0.43 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 56.13 2qz3 h ASN 148 Cb 0.66 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 2qz3 h ASN 148 CO -0.19 0.57 -0.13 0.45 -1.06 0.00 0.00 177.43 177.07 2qz3 h HIS 149 N 0.99 0.27 -0.54 1.19 3.86 -1.18 -1.69 115.15 118.06 2qz3 h HIS 149 Ca 0.33 -0.09 0.09 0.00 -1.16 0.00 0.00 60.37 59.54 2qz3 h HIS 149 Cb 0.05 -0.05 -0.07 0.00 1.06 0.00 0.00 27.41 28.40 2qz3 h HIS 149 CO -0.03 0.72 0.15 0.28 0.86 0.00 0.00 177.93 179.92 2qz3 h VAL 150 N -0.27 0.75 -0.31 2.45 2.07 -1.02 0.18 116.25 120.11 2qz3 h VAL 150 Ca 0.00 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 2qz3 h VAL 150 Cb 0.70 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2qz3 h VAL 150 CO 0.03 0.06 0.09 0.78 0.02 0.00 0.00 177.57 178.54 2qz3 h ASN 151 N 0.31 0.46 -0.65 0.57 2.35 -0.98 -0.58 115.58 117.06 2qz3 h ASN 151 Ca 0.27 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2qz3 h ASN 151 Cb 0.34 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 2qz3 h ASN 151 CO -0.31 0.55 0.35 0.00 -1.65 0.00 0.00 177.43 176.37 2qz3 h ALA 152 N 0.92 0.84 -0.40 -0.83 0.00 -1.01 -2.21 119.26 116.57 2qz3 h ALA 152 Ca 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2qz3 h ALA 152 Cb 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2qz3 h ALA 152 CO -0.00 0.36 0.22 -1.49 0.00 0.00 0.00 179.25 178.34 2qz3 h TRP 153 N 0.89 0.55 -0.93 0.00 6.55 -0.44 -2.45 115.95 120.12 2qz3 h TRP 153 Ca 0.23 -0.01 0.17 0.00 0.95 0.00 0.00 58.89 60.23 2qz3 h TRP 153 Cb 0.06 -0.18 -0.10 0.00 -0.86 0.00 0.00 29.16 28.08 2qz3 h TRP 153 CO -0.01 0.42 0.52 0.87 -1.05 0.00 0.00 178.44 179.19 2qz3 h LYS 154 N 0.52 0.67 0.00 0.49 1.57 -0.84 0.19 116.57 119.17 2qz3 h LYS 154 Ca 0.14 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2qz3 h LYS 154 Cb 0.05 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 2qz3 h LYS 154 CO -0.02 0.44 -0.14 0.66 -0.57 0.00 0.00 179.45 179.82 2qz3 h SER 155 N 0.69 0.00 -0.60 0.86 4.64 -0.92 -1.05 113.55 117.18 2qz3 h SER 155 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 2qz3 h SER 155 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2qz3 h SER 155 CO -0.38 0.14 0.00 1.41 -0.87 0.00 0.00 176.83 177.13 2qz3 n HIS 156 N -3.58 1.78 -1.15 4.77 8.25 -0.35 -4.93 115.22 120.02 2qz3 n HIS 156 Ca -0.01 -0.65 -0.05 0.00 -0.26 0.00 0.00 57.72 56.74 2qz3 n HIS 156 Cb 0.28 -0.38 -0.02 0.00 1.12 0.00 0.00 29.99 30.98 2qz3 n HIS 156 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qz3 n GLY 157 N 0.86 0.75 3.37 -1.41 0.00 -0.40 -4.97 105.19 103.40 2qz3 n GLY 157 Ca 0.26 -0.53 -0.46 0.00 0.00 0.00 0.00 46.02 45.30 2qz3 n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qz3 s MET 158 N -2.05 3.64 -0.09 1.61 -1.94 -0.09 -4.97 119.30 115.41 2qz3 s MET 158 Ca 0.00 -2.28 -0.13 0.00 -1.71 0.00 0.00 55.69 51.57 2qz3 s MET 158 Cb 0.00 -4.60 -0.05 0.00 2.01 0.00 0.00 34.83 32.19 2qz3 s MET 158 CO 0.00 -1.45 0.30 -0.80 -0.01 0.00 0.00 175.02 173.07 2qz3 s ASN 159 N 2.59 6.57 0.61 3.03 -0.87 -1.26 -3.06 114.94 122.55 2qz3 s ASN 159 Ca 0.23 0.68 -0.09 0.00 -1.57 0.00 0.00 52.86 52.11 2qz3 s ASN 159 Cb -0.08 -2.18 -0.01 0.00 -0.02 0.00 0.00 41.25 38.95 2qz3 s ASN 159 CO -0.09 0.26 0.97 -0.76 -2.57 0.00 0.00 177.10 174.91 2qz3 s LEU 160 N -0.49 3.23 0.84 0.60 1.43 -1.26 -4.92 118.68 118.11 2qz3 s LEU 160 Ca 0.19 1.08 -0.11 0.00 -1.03 0.00 0.00 54.13 54.26 2qz3 s LEU 160 Cb -0.14 -3.99 0.09 0.00 0.03 0.00 0.00 46.19 42.18 2qz3 s LEU 160 CO 0.08 -0.98 1.09 -0.83 0.23 0.00 0.00 176.35 175.94 2qz3 s GLY 161 N -4.24 1.63 0.25 -3.19 0.00 -1.26 -4.74 107.32 95.77 2qz3 s GLY 161 Ca 0.54 -0.07 0.23 0.00 0.00 0.00 0.00 44.72 45.42 2qz3 s GLY 161 CO 0.50 0.37 1.35 1.48 0.00 0.00 0.00 173.10 176.80 2qz3 h SER 162 N -1.30 0.00 -3.29 1.64 4.64 -1.28 -3.43 113.55 110.52 2qz3 h SER 162 Ca -0.48 -0.05 -0.74 0.00 -0.47 0.00 0.00 61.79 60.06 2qz3 h SER 162 Cb 1.27 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.11 2qz3 h SER 162 CO 0.56 0.02 -0.35 0.21 -0.87 0.00 0.00 176.83 176.41 2qz3 s ASN 163 N -5.25 5.98 -0.16 4.97 2.47 -0.82 -5.00 114.94 117.13 2qz3 s ASN 163 Ca 0.04 -1.54 -0.24 0.00 0.42 0.00 0.00 52.86 51.55 2qz3 s ASN 163 Cb 0.09 -2.12 -0.02 0.00 -1.45 0.00 0.00 41.25 37.75 2qz3 s ASN 163 CO 0.72 -0.67 0.76 0.26 -3.72 0.00 0.00 177.10 174.44 2qz3 s TRP 164 N 1.55 3.43 0.00 0.43 0.52 -1.26 0.18 118.94 123.79 2qz3 s TRP 164 Ca 0.04 1.17 0.00 0.00 0.02 0.00 0.00 56.10 57.33 2qz3 s TRP 164 Cb -0.25 -2.92 0.00 0.00 -1.15 0.00 0.00 33.47 29.14 2qz3 s TRP 164 CO 0.04 -0.17 0.00 0.00 0.02 0.00 0.00 176.95 176.84 2qz3 n ALA 165 N 4.94 0.00 -1.10 0.98 0.00 -0.83 -4.43 120.51 120.07 2qz3 n ALA 165 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 2qz3 n ALA 165 Cb 0.49 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.10 2qz3 n ALA 165 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2qz3 s TYR 166 N 1.83 2.14 -0.20 0.00 -0.85 -1.01 -0.16 117.35 119.10 2qz3 s TYR 166 Ca 0.00 1.23 -0.05 0.00 -0.52 0.00 0.00 57.07 57.74 2qz3 s TYR 166 Cb 0.00 -3.18 0.10 0.00 0.38 0.00 0.00 41.96 39.26 2qz3 s TYR 166 CO 0.00 -2.66 0.35 -1.14 -1.52 0.00 0.00 175.55 170.57 2qz3 s GLN 167 N -4.87 0.27 0.11 -3.49 0.74 -0.31 -2.53 119.66 109.57 2qz3 s GLN 167 Ca 0.64 0.71 0.03 0.00 0.05 0.00 0.00 55.36 56.80 2qz3 s GLN 167 Cb -0.19 -0.20 -0.04 0.00 1.10 0.00 0.00 33.01 33.68 2qz3 s GLN 167 CO 0.58 -0.44 -0.09 0.14 -0.55 0.00 0.00 175.29 174.93 2qz3 s VAL 168 N 2.51 0.94 -0.42 1.34 -7.23 0.12 -0.56 120.40 117.10 2qz3 s VAL 168 Ca 0.05 -1.80 -0.19 0.00 -1.81 0.00 0.00 61.98 58.23 2qz3 s VAL 168 Cb -0.14 -1.53 0.02 0.00 0.56 0.00 0.00 36.38 35.29 2qz3 s VAL 168 CO -0.13 -0.67 0.57 -0.32 -0.31 0.00 0.00 175.10 174.25 2qz3 s MET 169 N -3.22 3.27 0.26 4.82 1.75 -0.07 -0.62 119.30 125.48 2qz3 s MET 169 Ca 0.09 -0.45 0.10 0.00 -1.25 0.00 0.00 55.69 54.19 2qz3 s MET 169 Cb 0.00 -3.94 -0.05 0.00 2.84 0.00 0.00 34.83 33.69 2qz3 s MET 169 CO -0.01 -0.92 -0.09 0.00 -0.65 0.00 0.00 175.02 173.35 2qz3 s ALA 170 N 2.58 2.96 -0.24 4.11 0.00 0.12 -3.12 121.76 128.17 2qz3 s ALA 170 Ca 0.19 -1.71 -0.08 0.00 0.00 0.00 0.00 51.96 50.37 2qz3 s ALA 170 Cb -0.15 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 2qz3 s ALA 170 CO 0.17 0.31 0.08 0.99 0.00 0.00 0.00 175.76 177.30 2qz3 s THR 171 N -2.27 4.48 0.02 0.00 2.01 0.39 -1.31 115.64 118.96 2qz3 s THR 171 Ca 0.30 -0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.21 2qz3 s THR 171 Cb -0.06 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 2qz3 s THR 171 CO 0.17 0.35 -0.09 0.00 -0.69 0.00 0.00 174.62 174.36 2qz3 s ALA 172 N 1.41 0.75 0.26 7.40 0.00 -0.57 -1.23 121.76 129.78 2qz3 s ALA 172 Ca 0.06 -0.60 -0.21 0.00 0.00 0.00 0.00 51.96 51.20 2qz3 s ALA 172 Cb -0.15 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.90 2qz3 s ALA 172 CO 0.04 0.12 0.69 0.20 0.00 0.00 0.00 175.76 176.81 2qz3 s GLY 173 N -0.89 -0.18 -0.14 0.00 0.00 -0.60 0.70 107.32 106.20 2qz3 s GLY 173 Ca -0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 44.72 44.47 2qz3 s GLY 173 CO 0.00 -0.05 0.33 -0.47 0.00 0.00 0.00 173.10 172.91 2qz3 s TYR 174 N -3.89 -0.48 -0.99 1.90 5.04 -0.21 -1.65 117.35 117.07 2qz3 s TYR 174 Ca 0.09 1.06 -0.13 0.00 -2.44 0.00 0.00 57.07 55.65 2qz3 s TYR 174 Cb -0.05 0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.41 2qz3 s TYR 174 CO 0.03 -0.31 0.71 1.04 -1.34 0.00 0.00 175.55 175.69 2qz3 n GLN 175 N 4.43 -1.22 -3.99 4.97 6.02 -0.52 -3.40 117.38 123.68 2qz3 n GLN 175 Ca -0.22 0.68 -0.09 0.00 -0.01 0.00 0.00 57.00 57.37 2qz3 n GLN 175 Cb 0.53 -3.73 -0.10 0.00 1.02 0.00 0.00 30.24 27.96 2qz3 n GLN 175 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2qz3 s SER 176 N -3.26 0.29 0.06 1.08 0.15 -1.26 -3.43 113.70 107.33 2qz3 s SER 176 Ca 0.26 -0.66 0.01 0.00 0.70 0.00 0.00 55.95 56.26 2qz3 s SER 176 Cb -0.10 0.18 -0.03 0.00 -1.71 0.00 0.00 66.02 64.36 2qz3 s SER 176 CO 0.86 -0.47 -0.05 -0.44 1.20 0.00 0.00 173.24 174.33 2qz3 s SER 177 N -2.16 0.74 0.00 5.45 0.01 -1.22 -1.66 113.70 114.86 2qz3 s SER 177 Ca -0.05 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.43 2qz3 s SER 177 Cb -0.01 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.32 2qz3 s SER 177 CO -0.05 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.82 2qz3 n GLY 178 N 0.72 -0.67 3.00 3.44 0.00 -0.28 0.17 105.19 111.57 2qz3 n GLY 178 Ca -0.18 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.40 2qz3 n GLY 178 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qz3 s SER 179 N -4.00 0.67 0.06 1.61 0.01 -0.88 -0.77 113.70 110.40 2qz3 s SER 179 Ca 0.00 -0.32 -0.05 0.00 1.31 0.00 0.00 55.95 56.88 2qz3 s SER 179 Cb 0.00 -0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.21 2qz3 s SER 179 CO 0.00 -0.08 0.10 -0.94 0.41 0.00 0.00 173.24 172.72 2qz3 s SER 180 N -0.86 0.25 -0.17 2.44 1.04 0.23 -0.94 113.70 115.70 2qz3 s SER 180 Ca -0.05 -0.72 -0.05 0.00 0.48 0.00 0.00 55.95 55.62 2qz3 s SER 180 Cb -0.06 0.26 0.08 0.00 0.10 0.00 0.00 66.02 66.40 2qz3 s SER 180 CO 0.00 -0.62 0.29 0.21 0.98 0.00 0.00 173.24 174.10 2qz3 s ASN 181 N -2.65 0.44 -0.01 7.02 2.47 -0.34 -1.44 114.94 120.42 2qz3 s ASN 181 Ca 0.02 0.46 0.02 0.00 0.42 0.00 0.00 52.86 53.78 2qz3 s ASN 181 Cb 0.04 0.78 -0.00 0.00 -1.45 0.00 0.00 41.25 40.62 2qz3 s ASN 181 CO -0.09 -0.26 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.28 2qz3 s VAL 182 N 2.45 0.49 -0.07 -5.21 1.01 -0.46 -0.77 120.40 117.84 2qz3 s VAL 182 Ca 0.03 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.80 2qz3 s VAL 182 Cb -0.13 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 2qz3 s VAL 182 CO -0.11 0.14 -0.19 -0.89 0.00 0.00 0.00 175.10 174.06 2qz3 s THR 183 N -0.10 2.64 -0.02 3.92 2.01 -0.49 -0.62 115.64 122.97 2qz3 s THR 183 Ca 0.02 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.21 2qz3 s THR 183 Cb -0.03 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 2qz3 s THR 183 CO -0.00 0.57 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.62 2qz3 s VAL 184 N -0.31 1.52 0.00 3.82 1.01 -0.08 -1.12 120.40 125.24 2qz3 s VAL 184 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2qz3 s VAL 184 Cb -0.13 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.98 2qz3 s VAL 184 CO 0.02 0.43 0.00 -2.67 0.00 0.00 0.00 175.10 172.89