#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbi s ALA 2 N 0.00 2.93 -0.21 0.00 0.00 -1.26 -4.94 121.76 118.28 2qbi s ALA 2 Ca 0.00 1.25 0.22 0.00 0.00 0.00 0.00 51.96 53.43 2qbi s ALA 2 Cb 0.00 -3.52 -0.31 0.00 0.00 0.00 0.00 23.12 19.28 2qbi s ALA 2 CO 0.00 -1.16 0.56 1.63 0.00 0.00 0.00 175.76 176.80 2qbi n LYS 3 N -0.73 0.54 -3.61 0.00 5.02 -1.26 -4.75 118.16 113.37 2qbi n LYS 3 Ca 0.09 -0.16 -0.29 0.00 -2.02 0.00 0.00 58.31 55.92 2qbi n LYS 3 Cb 0.45 -1.52 -0.13 0.00 -0.02 0.00 0.00 35.03 33.81 2qbi n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2qbi s ILE 4 N -3.42 0.78 0.00 -0.18 -1.09 -1.26 -4.95 121.20 111.08 2qbi s ILE 4 Ca -0.05 -2.02 0.00 0.00 -2.23 0.00 0.00 60.65 56.35 2qbi s ILE 4 Cb 0.14 -1.56 0.00 0.00 -1.58 0.00 0.00 42.46 39.46 2qbi s ILE 4 CO 0.90 -0.90 0.00 0.54 -1.23 0.00 0.00 174.94 174.25 2qbi n ARG 5 N 3.96 -1.29 0.00 2.79 5.12 -1.26 -4.94 116.66 121.04 2qbi n ARG 5 Ca 0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 2qbi n ARG 5 Cb 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.67 2qbi n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2qbi n ARG 6 N -1.61 0.00 -2.47 5.56 3.00 -1.26 -4.48 116.66 115.40 2qbi n ARG 6 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.46 2qbi n ARG 6 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 2qbi n ARG 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2qbi s ASP 7 N -2.04 6.20 0.48 6.15 1.11 -1.23 -4.22 116.67 123.13 2qbi s ASP 7 Ca 0.00 -1.07 0.03 0.00 0.18 0.00 0.00 52.55 51.69 2qbi s ASP 7 Cb 0.00 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.39 2qbi s ASP 7 CO 0.00 -1.77 0.01 -1.81 1.18 0.00 0.00 175.17 172.77 2qbi s ASP 8 N 5.24 4.03 -0.72 0.27 -0.00 -1.26 -4.85 116.67 119.38 2qbi s ASP 8 Ca 0.48 -1.57 -0.07 0.00 -0.00 0.00 0.00 52.55 51.39 2qbi s ASP 8 Cb -0.03 0.25 0.19 0.00 -0.00 0.00 0.00 42.92 43.32 2qbi s ASP 8 CO -0.02 -0.73 0.59 -0.70 -0.00 0.00 0.00 175.17 174.30 2qbi s GLU 9 N -3.83 3.00 0.39 8.23 2.56 -1.26 -2.19 118.70 125.61 2qbi s GLU 9 Ca 0.15 -2.58 -0.03 0.00 0.00 0.00 0.00 54.97 52.51 2qbi s GLU 9 Cb 0.04 -4.00 -0.04 0.00 2.00 0.00 0.00 34.13 32.13 2qbi s GLU 9 CO 0.08 -1.22 0.66 0.14 -0.56 0.00 0.00 175.26 174.35 2qbi s VAL 10 N -0.10 5.00 -0.19 3.70 -7.23 -1.11 0.28 120.40 120.74 2qbi s VAL 10 Ca 0.18 -0.07 0.04 0.00 -1.81 0.00 0.00 61.98 60.32 2qbi s VAL 10 Cb -0.16 -3.84 -0.14 0.00 0.56 0.00 0.00 36.38 32.81 2qbi s VAL 10 CO -0.06 -0.64 -0.13 0.00 -0.31 0.00 0.00 175.10 173.96 2qbi n ILE 11 N -1.82 1.10 -1.73 -0.62 0.00 0.37 -2.78 119.36 113.88 2qbi n ILE 11 Ca -0.02 -0.47 -0.01 0.00 0.00 0.00 0.00 62.75 62.25 2qbi n ILE 11 Cb 0.55 -1.07 -0.01 0.00 0.00 0.00 0.00 39.64 39.11 2qbi n ILE 11 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2qbi n VAL 12 N -2.97 -6.23 -1.55 9.51 0.31 -1.26 -0.43 118.33 115.71 2qbi n VAL 12 Ca -0.33 1.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.74 2qbi n VAL 12 Cb 0.89 -4.38 0.09 0.00 -0.91 0.00 0.00 33.84 29.53 2qbi n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbi n LEU 13 N 0.60 6.30 0.00 7.52 -0.00 -0.34 -3.25 117.00 127.83 2qbi n LEU 13 Ca -0.10 -4.30 -0.17 0.00 -0.00 0.00 0.00 56.01 51.44 2qbi n LEU 13 Cb 0.15 -0.73 -0.00 0.00 -0.00 0.00 0.00 43.42 42.84 2qbi n LEU 13 CO 0.09 1.60 0.02 1.07 -0.00 0.00 0.00 177.39 180.18 2qbi n THR 14 N -0.91 0.00 -0.90 1.47 5.66 -1.22 -4.93 114.28 113.46 2qbi n THR 14 Ca 0.53 -1.41 -0.30 0.00 -3.05 0.00 0.00 64.05 59.82 2qbi n THR 14 Cb 0.90 -0.15 0.24 0.00 -1.55 0.00 0.00 70.33 69.77 2qbi n THR 14 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2qbi s GLY 15 N -3.22 1.54 0.00 1.09 0.00 -1.26 -2.86 107.32 102.62 2qbi s GLY 15 Ca 0.18 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 44.10 2qbi s GLY 15 CO 0.11 0.07 0.00 0.28 0.00 0.00 0.00 173.10 173.57 2qbi n LYS 16 N -4.90 0.00 -2.55 2.90 4.76 -1.26 -3.58 118.16 113.53 2qbi n LYS 16 Ca 0.11 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.12 2qbi n LYS 16 Cb 0.59 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.78 2qbi n LYS 16 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2qbi n ASP 17 N 4.57 5.40 0.00 4.39 10.43 -1.26 -4.90 116.55 135.18 2qbi n ASP 17 Ca 0.00 -3.16 0.00 0.00 2.57 0.00 0.00 54.79 54.20 2qbi n ASP 17 Cb 0.00 -1.44 0.00 0.00 1.84 0.00 0.00 41.12 41.52 2qbi n ASP 17 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 2qbi n LYS 18 N 3.43 0.00 -1.50 -1.24 0.00 -1.13 -4.59 118.16 113.12 2qbi n LYS 18 Ca 0.36 0.00 -0.44 0.00 0.00 0.00 0.00 58.31 58.23 2qbi n LYS 18 Cb 0.36 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.32 2qbi n LYS 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qbi n GLY 19 N 1.12 0.27 0.00 3.14 0.00 -1.20 -4.43 105.19 104.08 2qbi n GLY 19 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 46.02 46.90 2qbi n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbi n LYS 20 N 8.54 0.00 -3.57 1.61 3.00 0.43 -5.05 118.16 123.12 2qbi n LYS 20 Ca 0.44 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.68 2qbi n LYS 20 Cb 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.32 2qbi n LYS 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2qbi s ARG 21 N 1.03 0.73 0.00 1.64 0.52 -1.24 -4.08 118.95 117.55 2qbi s ARG 21 Ca 0.00 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 2qbi s ARG 21 Cb 0.00 0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.78 2qbi s ARG 21 CO 0.00 -0.32 0.00 0.41 0.02 0.00 0.00 175.30 175.41 2qbi n GLY 22 N -0.26 3.11 3.63 -3.53 0.00 -1.12 -4.89 105.19 102.13 2qbi n GLY 22 Ca -0.06 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 2qbi n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbi s LYS 23 N -2.00 3.98 -0.72 1.61 3.01 -1.24 -2.76 119.74 121.63 2qbi s LYS 23 Ca 0.00 0.96 -0.25 0.00 -1.01 0.00 0.00 55.97 55.66 2qbi s LYS 23 Cb 0.00 -3.78 -0.13 0.00 -1.01 0.00 0.00 37.83 32.91 2qbi s LYS 23 CO 0.00 -1.02 2.41 0.28 0.51 0.00 0.00 175.35 177.53 2qbi n VAL 24 N 6.11 -0.03 -0.29 3.17 0.31 -0.93 -1.49 118.33 125.19 2qbi n VAL 24 Ca 0.12 -0.58 0.10 0.00 -0.01 0.00 0.00 64.34 63.97 2qbi n VAL 24 Cb 0.48 -2.11 0.26 0.00 -0.91 0.00 0.00 33.84 31.55 2qbi n VAL 24 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2qbi h LYS 25 N 14.63 0.34 -1.61 5.55 1.57 -0.12 -3.26 116.57 133.67 2qbi h LYS 25 Ca -0.07 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.77 2qbi h LYS 25 Cb 1.09 -0.08 -0.26 0.00 0.08 0.00 0.00 32.23 33.06 2qbi h LYS 25 CO 1.09 0.23 0.36 1.21 -0.57 0.00 0.00 179.45 181.77 2qbi s ASN 26 N -5.21 -0.54 -0.14 0.86 2.47 -1.15 -4.76 114.94 106.46 2qbi s ASN 26 Ca -0.12 0.92 -0.12 0.00 0.42 0.00 0.00 52.86 53.96 2qbi s ASN 26 Cb 0.24 1.13 -0.05 0.00 -1.45 0.00 0.00 41.25 41.12 2qbi s ASN 26 CO 0.77 -0.15 0.25 0.54 -3.72 0.00 0.00 177.10 174.79 2qbi s VAL 27 N 1.01 5.33 -0.08 -5.21 0.11 -1.26 -0.79 120.40 119.51 2qbi s VAL 27 Ca -0.05 0.45 -0.09 0.00 -2.93 0.00 0.00 61.98 59.36 2qbi s VAL 27 Cb -0.04 -3.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.19 2qbi s VAL 27 CO -0.13 0.46 0.22 -0.76 -3.33 0.00 0.00 175.10 171.56 2qbi s LEU 28 N 0.03 4.41 0.35 2.54 1.43 0.45 -4.95 118.68 122.94 2qbi s LEU 28 Ca 0.15 0.61 0.18 0.00 -1.03 0.00 0.00 54.13 54.04 2qbi s LEU 28 Cb -0.13 -2.25 0.97 0.00 0.03 0.00 0.00 46.19 44.81 2qbi s LEU 28 CO 0.04 0.38 1.49 0.77 0.23 0.00 0.00 176.35 179.25 2qbi h SER 29 N 4.84 0.00 0.10 2.29 4.64 -1.99 0.20 113.55 123.64 2qbi h SER 29 Ca -0.54 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.77 2qbi h SER 29 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2qbi h SER 29 CO 0.59 0.00 -0.05 0.77 -0.87 0.00 0.00 176.83 177.28 2qbi h SER 30 N 0.00 0.00 0.00 4.97 4.64 -2.04 -3.45 113.55 117.67 2qbi h SER 30 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qbi h SER 30 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2qbi h SER 30 CO 0.00 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 2qbi n GLY 31 N -1.19 1.11 3.79 -0.77 0.00 0.72 -5.10 105.19 103.75 2qbi n GLY 31 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2qbi n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbi s LYS 32 N -0.26 3.05 0.36 1.61 1.02 -1.22 -1.86 119.74 122.43 2qbi s LYS 32 Ca 0.00 -0.53 0.08 0.00 0.02 0.00 0.00 55.97 55.55 2qbi s LYS 32 Cb 0.00 -2.84 -0.06 0.00 -0.52 0.00 0.00 37.83 34.41 2qbi s LYS 32 CO 0.00 0.63 0.04 0.14 -0.92 0.00 0.00 175.35 175.24 2qbi s VAL 33 N -1.25 2.51 -0.33 3.17 -7.23 0.16 -0.41 120.40 117.02 2qbi s VAL 33 Ca 0.25 -1.93 0.03 0.00 -1.81 0.00 0.00 61.98 58.52 2qbi s VAL 33 Cb -0.12 -2.85 0.10 0.00 0.56 0.00 0.00 36.38 34.07 2qbi s VAL 33 CO 0.16 -0.15 0.06 -0.63 -0.31 0.00 0.00 175.10 174.24 2qbi s ILE 34 N -2.55 1.93 0.37 -0.62 1.01 0.03 -0.12 121.20 121.24 2qbi s ILE 34 Ca 0.36 -2.11 -0.19 0.00 0.00 0.00 0.00 60.65 58.71 2qbi s ILE 34 Cb 0.02 -2.43 -0.10 0.00 0.01 0.00 0.00 42.46 39.95 2qbi s ILE 34 CO 0.20 -0.62 0.85 -0.69 0.00 0.00 0.00 174.94 174.68 2qbi s VAL 35 N 1.08 4.50 0.05 2.92 1.01 -1.26 0.58 120.40 129.27 2qbi s VAL 35 Ca 0.11 1.30 -0.30 0.00 0.00 0.00 0.00 61.98 63.08 2qbi s VAL 35 Cb -0.19 -3.65 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 2qbi s VAL 35 CO -0.12 -0.20 1.72 -0.70 0.00 0.00 0.00 175.10 175.80 2qbi s GLU 36 N -2.94 4.18 -1.39 2.72 2.12 -0.56 -2.90 118.70 119.93 2qbi s GLU 36 Ca 0.57 2.38 -0.04 0.00 0.36 0.00 0.00 54.97 58.24 2qbi s GLU 36 Cb -0.11 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 30.55 2qbi s GLU 36 CO 0.16 -0.80 0.40 0.41 -0.54 0.00 0.00 175.26 174.89 2qbi n GLY 37 N 4.12 -0.32 0.05 -1.50 0.00 -1.26 -4.65 105.19 101.63 2qbi n GLY 37 Ca 0.17 0.20 -0.07 0.00 0.00 0.00 0.00 46.02 46.31 2qbi n GLY 37 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qbi n ILE 38 N -4.45 0.58 -3.14 -0.61 0.13 -1.14 -4.83 119.36 105.89 2qbi n ILE 38 Ca -0.28 -0.22 -0.23 0.00 -1.10 0.00 0.00 62.75 60.91 2qbi n ILE 38 Cb 0.67 -0.86 -0.05 0.00 -0.84 0.00 0.00 39.64 38.56 2qbi n ILE 38 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 2qbi n ASN 39 N -2.80 2.37 -4.45 9.51 2.85 -1.26 -4.76 115.26 116.73 2qbi n ASN 39 Ca -0.18 -3.25 -0.28 0.00 -0.11 0.00 0.00 54.58 50.76 2qbi n ASN 39 Cb 0.69 -0.61 0.23 0.00 1.24 0.00 0.00 39.78 41.33 2qbi n ASN 39 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2qbi s LEU 40 N -2.57 0.86 0.00 1.20 1.02 -1.25 -1.56 118.68 116.38 2qbi s LEU 40 Ca 0.42 1.27 0.00 0.00 0.02 0.00 0.00 54.13 55.84 2qbi s LEU 40 Cb 0.27 -3.21 0.00 0.00 0.02 0.00 0.00 46.19 43.27 2qbi s LEU 40 CO -0.09 -3.97 0.00 1.33 0.02 0.00 0.00 176.35 173.63 2qbi n VAL 41 N -4.74 0.00 -2.12 -1.59 0.24 0.42 -4.81 118.33 105.73 2qbi n VAL 41 Ca 0.05 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.33 2qbi n VAL 41 Cb 0.56 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.94 2qbi n VAL 41 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2qbi n LYS 42 N 0.00 0.26 -1.52 7.34 3.00 -1.26 -4.49 118.16 121.49 2qbi n LYS 42 Ca 0.00 -0.44 -0.53 0.00 -0.00 0.00 0.00 58.31 57.34 2qbi n LYS 42 Cb 0.00 0.34 -0.06 0.00 0.00 0.00 0.00 35.03 35.32 2qbi n LYS 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2qbi n LYS 43 N -0.30 0.56 -2.53 1.64 0.00 -1.25 -4.51 118.16 111.76 2qbi n LYS 43 Ca -0.09 0.20 -0.43 0.00 0.00 0.00 0.00 58.31 57.99 2qbi n LYS 43 Cb 0.54 -1.63 0.01 0.00 0.00 0.00 0.00 35.03 33.94 2qbi n LYS 43 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2qbi n HIS 44 N 1.38 2.86 -1.00 5.64 8.25 -1.26 0.30 115.22 131.39 2qbi n HIS 44 Ca 0.18 -2.77 -0.40 0.00 -0.26 0.00 0.00 57.72 54.47 2qbi n HIS 44 Cb 0.18 -1.78 -0.10 0.00 1.12 0.00 0.00 29.99 29.41 2qbi n HIS 44 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2qbi n GLN 45 N 3.28 0.00 -2.65 -0.41 -0.06 -0.55 -4.83 117.38 112.17 2qbi n GLN 45 Ca 0.36 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.93 2qbi n GLN 45 Cb 0.36 -1.12 -0.02 0.00 -4.06 0.00 0.00 30.24 25.39 2qbi n GLN 45 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 2qbi s LYS 46 N 5.27 4.31 1.24 3.69 2.20 -1.26 -3.04 119.74 132.15 2qbi s LYS 46 Ca 0.94 1.39 -0.17 0.00 -0.36 0.00 0.00 55.97 57.77 2qbi s LYS 46 Cb -1.06 -3.62 0.27 0.00 -1.51 0.00 0.00 37.83 31.92 2qbi s LYS 46 CO 0.45 -0.54 0.69 -0.35 -0.36 0.00 0.00 175.35 175.24 2qbi n PRO 47 N 5.94 -2.98 -3.14 4.03 -0.04 -1.26 -4.86 135.00 132.70 2qbi n PRO 47 Ca 0.11 -0.86 -0.21 0.00 -0.04 0.00 0.00 63.50 62.51 2qbi n PRO 47 Cb 0.47 -1.93 -0.04 0.00 -0.04 0.00 0.00 33.50 31.95 2qbi n PRO 47 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2qbi n VAL 48 N -5.07 -0.48 -0.51 0.52 3.14 -1.26 -5.01 118.33 109.66 2qbi n VAL 48 Ca 0.05 -3.85 -0.09 0.00 -2.96 0.00 0.00 64.34 57.49 2qbi n VAL 48 Cb 0.56 -1.10 -0.07 0.00 -1.06 0.00 0.00 33.84 32.17 2qbi n VAL 48 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2qbi n PRO 49 N 1.10 0.00 0.00 1.45 -0.02 -1.26 -4.46 135.00 131.82 2qbi n PRO 49 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2qbi n PRO 49 Cb 0.58 -0.37 0.00 0.00 -0.02 0.00 0.00 33.50 33.69 2qbi n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qbi n ALA 50 N 2.16 0.00 -1.38 3.55 0.00 -1.26 -5.08 120.51 118.50 2qbi n ALA 50 Ca 0.23 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.74 2qbi n ALA 50 Cb 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.45 2qbi n ALA 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qbi n LEU 51 N 0.00 -1.27 -4.15 0.00 0.00 -1.26 -4.77 117.00 105.55 2qbi n LEU 51 Ca 0.00 2.43 -0.38 0.00 0.00 0.00 0.00 56.01 58.06 2qbi n LEU 51 Cb 0.00 -2.77 -0.03 0.00 0.00 0.00 0.00 43.42 40.62 2qbi n LEU 51 CO 0.00 -1.28 -0.30 0.59 0.00 0.00 0.00 177.39 176.40 2qbi n ASN 52 N -3.24 -1.79 -2.44 1.96 4.13 -1.26 -4.87 115.26 107.76 2qbi n ASN 52 Ca -0.04 -1.26 -0.20 0.00 1.68 0.00 0.00 54.58 54.77 2qbi n ASN 52 Cb 0.52 -1.84 0.02 0.00 -1.54 0.00 0.00 39.78 36.94 2qbi n ASN 52 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qbi n GLN 53 N -4.77 2.85 0.44 3.52 0.00 -1.26 -4.63 117.38 113.53 2qbi n GLN 53 Ca -0.22 -4.07 -0.17 0.00 0.00 0.00 0.00 57.00 52.54 2qbi n GLN 53 Cb 0.63 -1.99 -0.08 0.00 0.00 0.00 0.00 30.24 28.80 2qbi n GLN 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2qbi h PRO 54 N 2.56 -1.07 0.00 2.61 0.13 -1.96 -3.39 132.00 130.89 2qbi h PRO 54 Ca 0.19 0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.40 2qbi h PRO 54 Cb 1.16 0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.54 2qbi h PRO 54 CO 0.69 -0.72 0.00 0.41 -0.23 0.00 0.00 178.00 178.15 2qbi n GLY 55 N -1.44 0.99 1.40 1.56 0.00 -1.26 -4.72 105.19 101.73 2qbi n GLY 55 Ca -0.14 -1.40 0.18 0.00 0.00 0.00 0.00 46.02 44.66 2qbi n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbi n GLY 56 N 0.00 -2.75 3.80 -0.02 0.00 -1.17 -4.60 105.19 100.44 2qbi n GLY 56 Ca 0.00 -1.10 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 2qbi n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qbi s ILE 57 N -3.39 3.93 -0.41 -0.61 1.01 -1.26 -1.48 121.20 118.99 2qbi s ILE 57 Ca 0.00 1.25 0.03 0.00 0.00 0.00 0.00 60.65 61.94 2qbi s ILE 57 Cb 0.00 -3.53 0.16 0.00 0.01 0.00 0.00 42.46 39.10 2qbi s ILE 57 CO 0.00 -0.21 0.36 -0.69 0.00 0.00 0.00 174.94 174.40 2qbi s VAL 58 N -1.96 0.09 -0.59 2.92 1.01 0.15 -4.84 120.40 117.17 2qbi s VAL 58 Ca 0.64 -2.13 -0.28 0.00 0.00 0.00 0.00 61.98 60.21 2qbi s VAL 58 Cb -0.16 -1.04 -0.11 0.00 0.00 0.00 0.00 36.38 35.08 2qbi s VAL 58 CO 0.20 -1.00 2.46 1.21 0.00 0.00 0.00 175.10 177.97 2qbi n GLU 59 N 3.22 0.82 -3.83 2.72 2.13 -1.26 -3.89 120.64 120.56 2qbi n GLU 59 Ca 0.23 0.05 -0.24 0.00 0.66 0.00 0.00 57.16 57.86 2qbi n GLU 59 Cb 0.46 -2.86 -0.03 0.00 0.27 0.00 0.00 31.44 29.28 2qbi n GLU 59 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2qbi n LYS 60 N 8.79 0.94 0.00 5.31 3.00 -1.26 -4.68 118.16 130.26 2qbi n LYS 60 Ca 0.44 -2.89 0.00 0.00 -0.00 0.00 0.00 58.31 55.87 2qbi n LYS 60 Cb 0.38 0.59 0.00 0.00 0.00 0.00 0.00 35.03 36.00 2qbi n LYS 60 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2qbi n GLU 61 N -1.23 2.35 0.00 1.64 -0.58 -1.26 0.16 120.64 121.72 2qbi n GLU 61 Ca -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 2qbi n GLU 61 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.38 2qbi n GLU 61 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qbi n ALA 62 N -3.00 0.00 -0.63 0.62 0.00 -0.60 -3.90 120.51 113.00 2qbi n ALA 62 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2qbi n ALA 62 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2qbi n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbi n ALA 63 N -0.02 -1.21 -2.16 0.00 0.00 -1.26 -5.02 120.51 110.83 2qbi n ALA 63 Ca 0.00 0.25 -0.10 0.00 0.00 0.00 0.00 53.44 53.59 2qbi n ALA 63 Cb 0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 2qbi n ALA 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2qbi s ILE 64 N -4.33 0.09 0.05 0.00 2.07 0.82 -4.91 121.20 115.00 2qbi s ILE 64 Ca 0.00 -1.91 -0.30 0.00 -1.41 0.00 0.00 60.65 57.03 2qbi s ILE 64 Cb 0.00 -2.07 -0.09 0.00 0.13 0.00 0.00 42.46 40.42 2qbi s ILE 64 CO 0.00 -0.43 1.95 0.00 -1.91 0.00 0.00 174.94 174.55 2qbi n GLN 65 N -0.11 2.85 -0.35 3.50 1.13 -1.26 0.39 117.38 123.53 2qbi n GLN 65 Ca -0.05 1.05 0.29 0.00 -1.94 0.00 0.00 57.00 56.35 2qbi n GLN 65 Cb 0.64 -2.99 0.60 0.00 0.11 0.00 0.00 30.24 28.60 2qbi n GLN 65 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 2qbi h VAL 66 N 5.46 0.41 0.00 5.09 3.04 -1.68 0.59 116.25 129.16 2qbi h VAL 66 Ca -0.49 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2qbi h VAL 66 Cb 1.24 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 2qbi h VAL 66 CO 0.94 0.04 0.00 -1.54 -1.01 0.00 0.00 177.57 176.00 2qbi n SER 67 N -4.51 0.00 -0.90 3.17 3.41 -1.26 -2.60 113.62 110.92 2qbi n SER 67 Ca 0.28 -1.06 0.02 0.00 -0.26 0.00 0.00 58.87 57.85 2qbi n SER 67 Cb 1.09 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 65.25 2qbi n SER 67 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2qbi n ASN 68 N -0.57 2.79 -3.48 4.04 3.02 0.21 -4.99 115.26 116.27 2qbi n ASN 68 Ca 0.02 -3.49 -0.17 0.00 -0.03 0.00 0.00 54.58 50.91 2qbi n ASN 68 Cb 0.01 -0.58 -0.08 0.00 -0.61 0.00 0.00 39.78 38.53 2qbi n ASN 68 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2qbi s VAL 69 N -3.08 0.00 -0.16 2.41 -7.23 -1.07 -1.19 120.40 110.07 2qbi s VAL 69 Ca 0.42 -1.93 -0.10 0.00 -1.81 0.00 0.00 61.98 58.57 2qbi s VAL 69 Cb 0.37 -2.52 0.06 0.00 0.56 0.00 0.00 36.38 34.85 2qbi s VAL 69 CO 0.02 0.00 0.40 0.00 -0.31 0.00 0.00 175.10 175.21 2qbi s ALA 70 N -3.50 -1.01 -0.79 1.32 0.00 -1.26 -4.72 121.76 111.80 2qbi s ALA 70 Ca 0.39 1.45 -0.25 0.00 0.00 0.00 0.00 51.96 53.54 2qbi s ALA 70 Cb 0.03 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 2qbi s ALA 70 CO 0.24 -0.25 1.91 0.96 0.00 0.00 0.00 175.76 178.61 2qbi s ILE 71 N 1.24 3.42 -0.28 0.00 -4.36 -1.26 0.14 121.20 120.10 2qbi s ILE 71 Ca -0.08 -0.14 -0.37 0.00 -0.26 0.00 0.00 60.65 59.79 2qbi s ILE 71 Cb -0.08 -3.99 -0.13 0.00 1.25 0.00 0.00 42.46 39.51 2qbi s ILE 71 CO -0.11 -0.94 1.98 0.33 0.24 0.00 0.00 174.94 176.44 2qbi n PHE 72 N 13.44 1.90 0.83 1.37 7.35 0.79 -4.08 117.46 139.05 2qbi n PHE 72 Ca 0.32 0.31 0.13 0.00 -0.76 0.00 0.00 57.45 57.45 2qbi n PHE 72 Cb 0.49 -2.53 0.40 0.00 0.35 0.00 0.00 39.48 38.19 2qbi n PHE 72 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 2qbi n ASN 73 N 7.68 0.44 0.00 -2.13 2.04 0.71 -4.72 115.26 119.29 2qbi n ASN 73 Ca 0.33 0.28 0.00 0.00 -0.44 0.00 0.00 54.58 54.75 2qbi n ASN 73 Cb 0.20 -0.28 0.00 0.00 -2.53 0.00 0.00 39.78 37.17 2qbi n ASN 73 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2qbi n ALA 74 N -1.63 0.00 0.04 -2.53 0.00 -1.26 -4.65 120.51 110.47 2qbi n ALA 74 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 2qbi n ALA 74 Cb 0.38 -0.37 -0.13 0.00 0.00 0.00 0.00 19.45 19.33 2qbi n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbi h ALA 75 N 0.00 0.45 0.00 0.00 0.00 -1.92 -3.38 119.26 114.41 2qbi h ALA 75 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.81 2qbi h ALA 75 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2qbi h ALA 75 CO 0.00 1.32 -0.03 0.25 0.00 0.00 0.00 179.25 180.79 2qbi n THR 76 N -3.29 0.12 -3.34 0.00 -2.24 -1.26 -5.03 114.28 99.24 2qbi n THR 76 Ca -0.08 -0.12 -0.16 0.00 -2.27 0.00 0.00 64.05 61.42 2qbi n THR 76 Cb 0.99 0.91 0.08 0.00 -2.10 0.00 0.00 70.33 70.21 2qbi n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbi n GLY 77 N -0.06 -0.81 0.00 3.38 0.00 -1.26 -4.97 105.19 101.47 2qbi n GLY 77 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2qbi n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbi n LYS 78 N -3.64 0.00 -3.19 1.61 0.00 -1.26 -4.99 118.16 106.68 2qbi n LYS 78 Ca -0.17 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.15 2qbi n LYS 78 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.66 2qbi n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbi s ALA 79 N -1.00 -2.16 -1.02 3.14 0.00 -1.26 -0.21 121.76 119.26 2qbi s ALA 79 Ca 0.00 0.71 -0.23 0.00 0.00 0.00 0.00 51.96 52.44 2qbi s ALA 79 Cb 0.00 -2.49 -0.01 0.00 0.00 0.00 0.00 23.12 20.62 2qbi s ALA 79 CO 0.00 -1.90 1.76 -0.51 0.00 0.00 0.00 175.76 175.11 2qbi s ASP 80 N 2.56 5.75 0.00 0.00 1.11 -1.26 -4.75 116.67 120.08 2qbi s ASP 80 Ca 0.11 -1.26 0.00 0.00 0.18 0.00 0.00 52.55 51.59 2qbi s ASP 80 Cb -0.09 -2.57 0.00 0.00 1.07 0.00 0.00 42.92 41.33 2qbi s ASP 80 CO -0.22 -2.22 0.00 0.54 1.18 0.00 0.00 175.17 174.45 2qbi n ARG 81 N 8.74 0.00 0.00 8.23 3.00 -1.26 -0.92 116.66 134.45 2qbi n ARG 81 Ca 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.23 2qbi n ARG 81 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.94 2qbi n ARG 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2qbi n VAL 82 N 0.00 0.00 -1.29 1.55 0.31 -1.26 -4.81 118.33 112.84 2qbi n VAL 82 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 2qbi n VAL 82 Cb 0.00 -0.23 -0.06 0.00 -0.91 0.00 0.00 33.84 32.63 2qbi n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qbi n GLY 83 N 0.08 -3.45 2.96 2.92 0.00 -1.24 0.15 105.19 106.60 2qbi n GLY 83 Ca 0.00 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 2qbi n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qbi s PHE 84 N -4.41 -0.35 0.00 1.61 0.40 -1.26 -3.32 117.98 110.65 2qbi s PHE 84 Ca 0.00 0.86 0.00 0.00 -0.60 0.00 0.00 56.93 57.19 2qbi s PHE 84 Cb 0.00 -0.10 0.00 0.00 0.51 0.00 0.00 43.02 43.43 2qbi s PHE 84 CO 0.00 -0.33 0.00 -2.13 0.70 0.00 0.00 175.22 173.46 2qbi n ARG 85 N 5.31 0.00 -3.85 0.44 0.00 -0.79 -5.04 116.66 112.73 2qbi n ARG 85 Ca -0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.70 2qbi n ARG 85 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.96 2qbi n ARG 85 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 2qbi s PHE 86 N -2.00 0.09 -0.03 -0.14 5.99 -1.03 -4.47 117.98 116.39 2qbi s PHE 86 Ca 0.00 -0.67 0.12 0.00 0.00 0.00 0.00 56.93 56.38 2qbi s PHE 86 Cb 0.00 0.72 -0.18 0.00 0.00 0.00 0.00 43.02 43.56 2qbi s PHE 86 CO 0.00 -1.43 0.93 1.05 -0.00 0.00 0.00 175.22 175.77 2qbi h GLU 87 N 2.02 0.00 -6.45 10.12 -0.00 -1.91 -3.47 114.58 114.88 2qbi h GLU 87 Ca -0.28 0.00 -0.52 0.00 -0.00 0.00 0.00 59.36 58.57 2qbi h GLU 87 Cb 1.25 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 30.01 2qbi h GLU 87 CO 0.35 0.59 -0.15 0.34 -0.00 0.00 0.00 179.01 180.14 2qbi s ASP 88 N -6.23 4.97 0.53 3.06 -1.08 -1.26 -4.97 116.67 111.68 2qbi s ASP 88 Ca -0.02 -0.96 0.35 0.00 -0.52 0.00 0.00 52.55 51.40 2qbi s ASP 88 Cb 0.09 0.34 1.51 0.00 -1.46 0.00 0.00 42.92 43.40 2qbi s ASP 88 CO 0.81 -1.28 1.78 1.23 0.52 0.00 0.00 175.17 178.24 2qbi h GLY 89 N 0.33 0.16 -4.14 2.66 0.00 -2.05 -3.41 103.07 96.63 2qbi h GLY 89 Ca -0.32 -0.02 -0.56 0.00 0.00 0.00 0.00 47.33 46.43 2qbi h GLY 89 CO 0.45 -0.03 0.61 0.28 0.00 0.00 0.00 176.54 177.85 2qbi n LYS 90 N -4.23 2.31 -0.02 4.80 5.02 -1.26 -4.94 118.16 119.85 2qbi n LYS 90 Ca 0.27 0.81 -0.10 0.00 -2.02 0.00 0.00 58.31 57.27 2qbi n LYS 90 Cb 1.26 -2.45 -0.08 0.00 -0.02 0.00 0.00 35.03 33.74 2qbi n LYS 90 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2qbi h LYS 91 N 2.84 -0.08 -4.29 1.97 3.64 -1.91 -3.35 116.57 115.39 2qbi h LYS 91 Ca -0.47 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2qbi h LYS 91 Cb 1.27 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2qbi h LYS 91 CO 0.64 0.49 -0.88 0.28 -2.27 0.00 0.00 179.45 177.71 2qbi n VAL 92 N -4.77-11.36 -3.32 2.00 0.31 -1.26 -1.89 118.33 98.04 2qbi n VAL 92 Ca -0.07 3.07 -0.35 0.00 -0.01 0.00 0.00 64.34 66.98 2qbi n VAL 92 Cb 0.29 -4.80 -0.06 0.00 -0.91 0.00 0.00 33.84 28.36 2qbi n VAL 92 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qbi s ARG 93 N -0.71 4.02 -0.04 5.55 0.52 -1.26 -2.22 118.95 124.81 2qbi s ARG 93 Ca 0.00 0.55 0.01 0.00 -0.52 0.00 0.00 55.73 55.77 2qbi s ARG 93 Cb 0.00 -2.93 0.02 0.00 0.52 0.00 0.00 34.95 32.56 2qbi s ARG 93 CO 0.00 0.47 -0.03 -0.59 0.02 0.00 0.00 175.30 175.17 2qbi s PHE 94 N -1.46 0.62 -0.01 -0.53 -0.12 0.40 -1.55 117.98 115.32 2qbi s PHE 94 Ca 0.38 -0.15 -0.30 0.00 -0.05 0.00 0.00 56.93 56.82 2qbi s PHE 94 Cb -0.15 -0.58 -0.07 0.00 -0.63 0.00 0.00 43.02 41.58 2qbi s PHE 94 CO 0.19 -0.16 1.88 -0.06 -0.05 0.00 0.00 175.22 177.02 2qbi s PHE 95 N 0.88 1.50 1.10 3.49 0.40 -1.26 -3.61 117.98 120.47 2qbi s PHE 95 Ca -0.11 -0.18 -0.20 0.00 -0.60 0.00 0.00 56.93 55.84 2qbi s PHE 95 Cb -0.14 -4.12 0.05 0.00 0.51 0.00 0.00 43.02 39.32 2qbi s PHE 95 CO -0.00 -4.91 -0.26 1.63 0.70 0.00 0.00 175.22 172.38 2qbi n LYS 96 N 7.51 -1.32 0.00 0.44 4.76 -0.09 -0.90 118.16 128.55 2qbi n LYS 96 Ca 0.20 -0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 2qbi n LYS 96 Cb 0.42 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 2qbi n LYS 96 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2qbi n SER 97 N -0.78 0.00 0.00 4.39 3.41 -1.26 -4.18 113.62 115.20 2qbi n SER 97 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2qbi n SER 97 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 2qbi n SER 97 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2qbi n ASN 98 N 1.15 0.70 -4.35 4.04 0.23 -1.16 -5.00 115.26 110.86 2qbi n ASN 98 Ca 0.00 -1.20 -0.39 0.00 -0.53 0.00 0.00 54.58 52.46 2qbi n ASN 98 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 2qbi n ASN 98 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2qbi n SER 99 N -0.10 -2.40 -0.40 0.53 7.64 -0.08 -4.74 113.62 114.08 2qbi n SER 99 Ca 0.00 -1.10 0.36 0.00 1.01 0.00 0.00 58.87 59.15 2qbi n SER 99 Cb 0.23 -2.03 0.71 0.00 -1.01 0.00 0.00 64.21 62.11 2qbi n SER 99 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2qbi h GLU 100 N -1.07 0.08 -5.85 1.43 4.57 -1.81 -3.45 114.58 108.48 2qbi h GLU 100 Ca -0.58 -0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.42 2qbi h GLU 100 Cb 1.37 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.95 2qbi h GLU 100 CO 0.83 0.05 -0.63 2.41 -1.18 0.00 0.00 179.01 180.49 2qbi n THR 101 N -4.29 -7.90 0.54 0.32 -1.04 -1.26 -4.87 114.28 95.79 2qbi n THR 101 Ca 0.30 0.24 0.04 0.00 -2.04 0.00 0.00 64.05 62.59 2qbi n THR 101 Cb 1.33 -5.60 0.26 0.00 -1.82 0.00 0.00 70.33 64.49 2qbi n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43