#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbc s ALA 2 N 0.00 3.27 -1.47 0.00 0.00 -1.26 -4.98 121.76 117.32 2qbc s ALA 2 Ca 0.00 0.10 0.25 0.00 0.00 0.00 0.00 51.96 52.31 2qbc s ALA 2 Cb 0.00 -2.84 0.51 0.00 0.00 0.00 0.00 23.12 20.78 2qbc s ALA 2 CO 0.00 0.27 1.41 1.63 0.00 0.00 0.00 175.76 179.06 2qbc n LYS 3 N -0.49 0.52 -3.57 0.00 5.02 -1.26 -4.64 118.16 113.74 2qbc n LYS 3 Ca 0.04 -0.34 -0.29 0.00 -2.02 0.00 0.00 58.31 55.70 2qbc n LYS 3 Cb 0.53 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.92 2qbc n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2qbc s ILE 4 N -2.71 0.40 0.00 -0.18 -1.09 -1.26 -4.90 121.20 111.46 2qbc s ILE 4 Ca 0.18 -1.51 0.00 0.00 -2.23 0.00 0.00 60.65 57.09 2qbc s ILE 4 Cb 0.18 -1.30 0.00 0.00 -1.58 0.00 0.00 42.46 39.76 2qbc s ILE 4 CO 0.62 -0.85 0.00 0.54 -1.23 0.00 0.00 174.94 174.02 2qbc n ARG 5 N 4.46 -1.04 0.00 2.79 5.12 -1.26 -4.97 116.66 121.75 2qbc n ARG 5 Ca 0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 2qbc n ARG 5 Cb 0.39 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.69 2qbc n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2qbc n ARG 6 N -1.43 0.00 -3.10 5.56 3.00 -1.26 -4.39 116.66 115.04 2qbc n ARG 6 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 57.85 57.40 2qbc n ARG 6 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 32.46 32.41 2qbc n ARG 6 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2qbc s ASP 7 N -2.58 6.33 0.46 6.15 1.47 -1.20 -4.39 116.67 122.91 2qbc s ASP 7 Ca 0.00 -1.67 0.06 0.00 1.18 0.00 0.00 52.55 52.11 2qbc s ASP 7 Cb 0.00 -2.31 -0.03 0.00 -0.34 0.00 0.00 42.92 40.24 2qbc s ASP 7 CO 0.00 -1.06 0.18 -1.81 0.68 0.00 0.00 175.17 173.17 2qbc s ASP 8 N 3.45 4.38 -1.12 2.11 -0.00 -1.26 -4.72 116.67 119.51 2qbc s ASP 8 Ca 0.16 -1.24 -0.08 0.00 -0.00 0.00 0.00 52.55 51.39 2qbc s ASP 8 Cb -0.19 -0.09 0.28 0.00 -0.00 0.00 0.00 42.92 42.92 2qbc s ASP 8 CO 0.02 -0.72 1.26 1.21 -0.00 0.00 0.00 175.17 176.95 2qbc n GLU 9 N -1.34 3.81 -2.70 8.23 4.07 -1.26 -1.30 120.64 130.15 2qbc n GLU 9 Ca -0.05 -4.43 -0.33 0.00 -0.06 0.00 0.00 57.16 52.29 2qbc n GLU 9 Cb 0.65 -2.58 -0.06 0.00 -0.06 0.00 0.00 31.44 29.40 2qbc n GLU 9 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2qbc s VAL 10 N -1.52 4.38 -0.24 6.31 -7.23 -1.14 0.24 120.40 121.20 2qbc s VAL 10 Ca 0.32 1.40 0.08 0.00 -1.81 0.00 0.00 61.98 61.97 2qbc s VAL 10 Cb -0.05 -3.61 -0.20 0.00 0.56 0.00 0.00 36.38 33.08 2qbc s VAL 10 CO -0.02 -0.40 -0.11 0.00 -0.31 0.00 0.00 175.10 174.27 2qbc n ILE 11 N -0.88 1.45 -1.75 -0.62 0.00 0.28 -2.32 119.36 115.52 2qbc n ILE 11 Ca 0.07 -0.69 -0.01 0.00 0.00 0.00 0.00 62.75 62.12 2qbc n ILE 11 Cb 0.54 -1.03 -0.01 0.00 0.00 0.00 0.00 39.64 39.14 2qbc n ILE 11 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2qbc n VAL 12 N -3.05 -5.77 -1.43 9.51 0.31 -1.26 -0.90 118.33 115.74 2qbc n VAL 12 Ca -0.41 0.82 -0.13 0.00 -0.01 0.00 0.00 64.34 64.61 2qbc n VAL 12 Cb 1.06 -4.30 0.17 0.00 -0.91 0.00 0.00 33.84 29.86 2qbc n VAL 12 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbc n LEU 13 N 0.49 5.16 0.00 7.52 -0.00 -0.71 -3.46 117.00 126.00 2qbc n LEU 13 Ca -0.11 -3.84 0.00 0.00 -0.00 0.00 0.00 56.01 52.06 2qbc n LEU 13 Cb 0.16 -0.70 0.00 0.00 -0.00 0.00 0.00 43.42 42.88 2qbc n LEU 13 CO 0.10 1.28 0.00 1.07 -0.00 0.00 0.00 177.39 179.84 2qbc n THR 14 N -1.10 0.00 -2.71 1.47 5.66 -1.21 -4.95 114.28 111.45 2qbc n THR 14 Ca 0.44 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 61.21 2qbc n THR 14 Cb 1.18 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 70.05 2qbc n THR 14 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2qbc s GLY 15 N 0.00 1.77 0.00 1.09 0.00 -1.26 -4.25 107.32 104.66 2qbc s GLY 15 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.93 2qbc s GLY 15 CO 0.00 -1.28 0.00 0.28 0.00 0.00 0.00 173.10 172.10 2qbc n LYS 16 N -2.63 0.00 -1.34 2.90 4.76 -1.26 -2.99 118.16 117.61 2qbc n LYS 16 Ca 0.14 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.20 2qbc n LYS 16 Cb 0.61 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.77 2qbc n LYS 16 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2qbc n ASP 17 N 0.98 7.16 0.00 4.39 10.43 -1.26 -4.80 116.55 133.45 2qbc n ASP 17 Ca 0.00 -2.61 0.00 0.00 2.57 0.00 0.00 54.79 54.75 2qbc n ASP 17 Cb 0.00 -1.52 0.00 0.00 1.84 0.00 0.00 41.12 41.44 2qbc n ASP 17 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 2qbc n LYS 18 N 4.29 0.00 -1.42 -1.24 0.00 -1.16 -4.61 118.16 114.02 2qbc n LYS 18 Ca 0.69 0.00 -0.50 0.00 0.00 0.00 0.00 58.31 58.49 2qbc n LYS 18 Cb 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.21 2qbc n LYS 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qbc n GLY 19 N 0.91 0.29 0.00 3.14 0.00 -1.23 -4.49 105.19 103.83 2qbc n GLY 19 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 46.02 46.98 2qbc n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbc n LYS 20 N 8.16 0.00 -3.62 1.61 3.00 -0.08 -5.06 118.16 122.18 2qbc n LYS 20 Ca 0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.73 2qbc n LYS 20 Cb 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.20 2qbc n LYS 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2qbc s ARG 21 N 1.45 0.17 0.00 1.64 0.52 -1.21 -4.24 118.95 117.28 2qbc s ARG 21 Ca 0.00 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.15 2qbc s ARG 21 Cb 0.00 0.07 0.00 0.00 0.52 0.00 0.00 34.95 35.54 2qbc s ARG 21 CO 0.00 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.66 2qbc n GLY 22 N -0.07 3.10 3.67 -3.53 0.00 -0.98 -4.92 105.19 102.45 2qbc n GLY 22 Ca 0.02 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 2qbc n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbc s LYS 23 N -2.00 4.25 -0.81 1.61 3.01 -1.25 -2.88 119.74 121.67 2qbc s LYS 23 Ca 0.00 1.85 -0.26 0.00 -1.01 0.00 0.00 55.97 56.56 2qbc s LYS 23 Cb 0.00 -3.73 -0.12 0.00 -1.01 0.00 0.00 37.83 32.97 2qbc s LYS 23 CO 0.00 -0.66 2.32 0.08 0.51 0.00 0.00 175.35 177.60 2qbc s VAL 24 N 3.14 3.09 0.30 3.17 1.01 -0.42 -1.05 120.40 129.63 2qbc s VAL 24 Ca 0.61 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.57 2qbc s VAL 24 Cb -0.27 -3.21 0.29 0.00 0.00 0.00 0.00 36.38 33.19 2qbc s VAL 24 CO 0.22 -0.20 1.71 0.11 0.00 0.00 0.00 175.10 176.94 2qbc h LYS 25 N 12.48 0.45 -1.58 2.72 1.57 -0.61 -3.17 116.57 128.42 2qbc h LYS 25 Ca 0.02 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 2qbc h LYS 25 Cb 1.00 -0.10 -0.25 0.00 0.08 0.00 0.00 32.23 32.96 2qbc h LYS 25 CO 1.05 0.30 0.49 1.21 -0.57 0.00 0.00 179.45 181.92 2qbc s ASN 26 N -5.19 -0.42 -0.30 0.86 2.47 -1.18 -4.80 114.94 106.38 2qbc s ASN 26 Ca -0.11 0.72 -0.08 0.00 0.42 0.00 0.00 52.86 53.81 2qbc s ASN 26 Cb 0.26 0.70 0.00 0.00 -1.45 0.00 0.00 41.25 40.76 2qbc s ASN 26 CO 0.78 -0.21 0.11 0.54 -3.72 0.00 0.00 177.10 174.61 2qbc s VAL 27 N -0.16 4.24 0.16 -5.21 0.11 -1.26 0.05 120.40 118.33 2qbc s VAL 27 Ca 0.02 -0.58 -0.24 0.00 -2.93 0.00 0.00 61.98 58.25 2qbc s VAL 27 Cb -0.04 -3.18 -0.08 0.00 -1.53 0.00 0.00 36.38 31.56 2qbc s VAL 27 CO -0.04 0.07 0.75 -0.76 -3.33 0.00 0.00 175.10 171.79 2qbc s LEU 28 N 1.55 4.57 0.30 2.54 1.43 0.78 -4.92 118.68 124.93 2qbc s LEU 28 Ca 0.03 1.59 0.18 0.00 -1.03 0.00 0.00 54.13 54.91 2qbc s LEU 28 Cb -0.17 -3.29 0.98 0.00 0.03 0.00 0.00 46.19 43.75 2qbc s LEU 28 CO 0.04 0.20 1.53 -1.54 0.23 0.00 0.00 176.35 176.81 2qbc n SER 29 N 1.52 0.47 0.06 2.29 3.41 -1.26 -0.80 113.62 119.31 2qbc n SER 29 Ca -0.06 0.69 0.05 0.00 -0.26 0.00 0.00 58.87 59.30 2qbc n SER 29 Cb 0.49 -0.73 0.26 0.00 -0.26 0.00 0.00 64.21 63.97 2qbc n SER 29 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2qbc n SER 30 N -2.15 0.23 0.00 4.04 2.88 -1.26 -4.76 113.62 112.60 2qbc n SER 30 Ca -0.01 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 2qbc n SER 30 Cb 0.10 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 2qbc n SER 30 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qbc n GLY 31 N -1.17 0.28 3.71 0.46 0.00 0.02 -5.06 105.19 103.43 2qbc n GLY 31 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 2qbc n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbc s LYS 32 N -0.95 2.58 0.44 1.61 1.02 -1.20 -1.87 119.74 121.38 2qbc s LYS 32 Ca 0.00 -0.96 0.03 0.00 0.02 0.00 0.00 55.97 55.05 2qbc s LYS 32 Cb 0.00 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.79 2qbc s LYS 32 CO 0.00 0.49 0.06 0.14 -0.92 0.00 0.00 175.35 175.11 2qbc s VAL 33 N -1.61 1.03 -0.10 3.17 -7.23 -0.04 -0.15 120.40 115.46 2qbc s VAL 33 Ca 0.28 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2qbc s VAL 33 Cb -0.10 -2.37 0.02 0.00 0.56 0.00 0.00 36.38 34.48 2qbc s VAL 33 CO 0.20 0.00 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.26 2qbc s ILE 34 N -3.03 1.12 -0.21 -0.62 1.01 0.11 -0.93 121.20 118.65 2qbc s ILE 34 Ca 0.18 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.36 2qbc s ILE 34 Cb 0.03 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2qbc s ILE 34 CO 0.10 0.37 0.07 -0.69 0.00 0.00 0.00 174.94 174.79 2qbc s VAL 35 N 1.23 4.64 -0.37 2.92 1.01 -1.26 0.08 120.40 128.65 2qbc s VAL 35 Ca -0.04 -0.08 -0.39 0.00 0.00 0.00 0.00 61.98 61.47 2qbc s VAL 35 Cb -0.14 -3.12 -0.15 0.00 0.00 0.00 0.00 36.38 32.97 2qbc s VAL 35 CO -0.03 0.41 2.01 1.21 0.00 0.00 0.00 175.10 178.70 2qbc n GLU 36 N 4.01 0.79 -3.32 2.72 2.13 -0.22 -1.39 120.64 125.37 2qbc n GLU 36 Ca -0.16 0.25 -0.17 0.00 0.66 0.00 0.00 57.16 57.74 2qbc n GLU 36 Cb 0.52 -2.07 0.07 0.00 0.27 0.00 0.00 31.44 30.23 2qbc n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qbc n GLY 37 N 5.90 -0.99 0.00 8.31 0.00 -1.26 -4.61 105.19 112.54 2qbc n GLY 37 Ca 0.39 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.89 2qbc n GLY 37 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qbc n ILE 38 N -3.48 0.00 -3.13 -0.61 0.13 -0.48 -4.90 119.36 106.89 2qbc n ILE 38 Ca -0.12 0.00 -0.23 0.00 -1.10 0.00 0.00 62.75 61.31 2qbc n ILE 38 Cb 0.63 -0.53 -0.04 0.00 -0.84 0.00 0.00 39.64 38.86 2qbc n ILE 38 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 2qbc n ASN 39 N -1.87 2.21 -4.79 9.51 2.85 -1.26 -4.83 115.26 117.08 2qbc n ASN 39 Ca 0.00 -3.23 -0.32 0.00 -0.11 0.00 0.00 54.58 50.92 2qbc n ASN 39 Cb 0.35 -0.61 0.06 0.00 1.24 0.00 0.00 39.78 40.82 2qbc n ASN 39 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2qbc s LEU 40 N -2.61 3.20 0.00 1.20 1.02 -1.25 -0.93 118.68 119.31 2qbc s LEU 40 Ca 0.42 1.80 0.00 0.00 0.02 0.00 0.00 54.13 56.37 2qbc s LEU 40 Cb 0.29 -4.52 0.00 0.00 0.02 0.00 0.00 46.19 41.97 2qbc s LEU 40 CO -0.10 -1.67 0.00 1.33 0.02 0.00 0.00 176.35 175.94 2qbc n VAL 41 N -2.98 0.00 -2.72 -1.59 0.24 0.26 -4.89 118.33 106.66 2qbc n VAL 41 Ca 0.09 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.34 2qbc n VAL 41 Cb 0.53 0.00 0.09 0.00 -1.47 0.00 0.00 33.84 32.98 2qbc n VAL 41 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2qbc n LYS 42 N 0.00 1.36 -1.63 7.34 4.01 -1.26 -4.05 118.16 123.93 2qbc n LYS 42 Ca 0.00 -2.38 -0.53 0.00 -0.51 0.00 0.00 58.31 54.89 2qbc n LYS 42 Cb 0.00 -0.56 -0.07 0.00 -0.51 0.00 0.00 35.03 33.90 2qbc n LYS 42 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2qbc n LYS 43 N -0.74 1.41 -2.47 1.97 0.00 -1.26 -4.54 118.16 112.53 2qbc n LYS 43 Ca -0.02 0.49 -0.39 0.00 0.00 0.00 0.00 58.31 58.39 2qbc n LYS 43 Cb 0.84 -2.34 -0.03 0.00 0.00 0.00 0.00 35.03 33.50 2qbc n LYS 43 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2qbc s HIS 44 N 4.68 2.48 -0.33 5.64 3.76 -1.26 -0.04 115.29 130.21 2qbc s HIS 44 Ca 1.00 -0.80 -0.42 0.00 -0.15 0.00 0.00 55.06 54.69 2qbc s HIS 44 Cb -0.92 -4.59 -0.17 0.00 1.11 0.00 0.00 32.58 28.01 2qbc s HIS 44 CO 0.58 -1.83 1.68 0.94 -0.85 0.00 0.00 174.74 175.26 2qbc n GLN 45 N 8.70 0.77 -2.91 1.40 -0.06 -0.91 -4.84 117.38 119.53 2qbc n GLN 45 Ca 0.39 0.28 -0.43 0.00 -2.00 0.00 0.00 57.00 55.25 2qbc n GLN 45 Cb 0.49 -1.90 -0.05 0.00 -4.06 0.00 0.00 30.24 24.72 2qbc n GLN 45 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 2qbc s LYS 46 N 3.24 3.35 0.54 3.69 2.20 -1.26 -3.06 119.74 128.43 2qbc s LYS 46 Ca 1.00 -0.25 -0.22 0.00 -0.36 0.00 0.00 55.97 56.14 2qbc s LYS 46 Cb -1.21 -4.01 -0.06 0.00 -1.51 0.00 0.00 37.83 31.04 2qbc s LYS 46 CO 0.70 -1.33 1.25 -0.35 -0.36 0.00 0.00 175.35 175.27 2qbc n PRO 47 N 7.08 1.54 -3.65 4.03 -0.04 -1.26 -4.93 135.00 137.76 2qbc n PRO 47 Ca 0.01 0.57 -0.28 0.00 -0.04 0.00 0.00 63.50 63.76 2qbc n PRO 47 Cb 0.48 -2.44 -0.10 0.00 -0.04 0.00 0.00 33.50 31.40 2qbc n PRO 47 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2qbc n VAL 48 N -1.04 2.09 -0.65 0.52 3.14 -1.26 -5.03 118.33 116.08 2qbc n VAL 48 Ca 0.11 -5.07 -0.06 0.00 -2.96 0.00 0.00 64.34 56.36 2qbc n VAL 48 Cb 0.44 -2.15 -0.07 0.00 -1.06 0.00 0.00 33.84 31.00 2qbc n VAL 48 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2qbc n PRO 49 N 1.42 0.00 0.00 1.45 -0.02 -1.26 -4.37 135.00 132.22 2qbc n PRO 49 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2qbc n PRO 49 Cb 0.38 -0.51 0.00 0.00 -0.02 0.00 0.00 33.50 33.35 2qbc n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qbc n ALA 50 N 2.57 0.00 -1.28 3.55 0.00 -1.26 -5.09 120.51 119.00 2qbc n ALA 50 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.66 2qbc n ALA 50 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.58 2qbc n ALA 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qbc n LEU 51 N 0.00 -1.30 -3.98 0.00 0.00 -1.26 -4.79 117.00 105.67 2qbc n LEU 51 Ca 0.00 2.30 -0.27 0.00 0.00 0.00 0.00 56.01 58.04 2qbc n LEU 51 Cb 0.00 -2.44 -0.02 0.00 0.00 0.00 0.00 43.42 40.97 2qbc n LEU 51 CO 0.00 -0.87 -0.18 0.59 0.00 0.00 0.00 177.39 176.93 2qbc n ASN 52 N -2.68 -1.03 -2.44 1.96 4.13 -1.26 -4.87 115.26 109.06 2qbc n ASN 52 Ca -0.01 -0.99 -0.17 0.00 1.68 0.00 0.00 54.58 55.09 2qbc n ASN 52 Cb 0.43 -3.09 0.02 0.00 -1.54 0.00 0.00 39.78 35.60 2qbc n ASN 52 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qbc n GLN 53 N -4.41 2.69 -0.09 3.52 0.00 -1.26 -4.66 117.38 113.17 2qbc n GLN 53 Ca -0.23 -3.94 -0.10 0.00 0.00 0.00 0.00 57.00 52.72 2qbc n GLN 53 Cb 0.65 -1.93 -0.03 0.00 0.00 0.00 0.00 30.24 28.92 2qbc n GLN 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2qbc h PRO 54 N 2.53 0.44 0.00 2.61 0.13 -1.96 -3.40 132.00 132.35 2qbc h PRO 54 Ca 0.15 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2qbc h PRO 54 Cb 1.25 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2qbc h PRO 54 CO 0.61 0.52 0.00 0.41 -0.23 0.00 0.00 178.00 179.30 2qbc n GLY 55 N -0.58 -1.98 0.00 1.56 0.00 -1.26 -4.85 105.19 98.08 2qbc n GLY 55 Ca -0.03 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2qbc n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbc n GLY 56 N 0.00 1.94 3.68 -0.02 0.00 -1.17 -4.87 105.19 104.75 2qbc n GLY 56 Ca 0.00 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 2qbc n GLY 56 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qbc n ILE 57 N 1.81 2.04 -3.33 -0.61 5.41 -1.26 -2.15 119.36 121.27 2qbc n ILE 57 Ca 0.00 -0.50 -0.26 0.00 1.00 0.00 0.00 62.75 62.99 2qbc n ILE 57 Cb 0.00 -1.50 -0.08 0.00 -0.71 0.00 0.00 39.64 37.35 2qbc n ILE 57 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2qbc n VAL 58 N 0.28 0.12 -1.47 1.39 0.31 0.95 -4.84 118.33 115.06 2qbc n VAL 58 Ca 0.05 -4.26 -0.43 0.00 -0.01 0.00 0.00 64.34 59.69 2qbc n VAL 58 Cb 0.36 -1.96 -0.13 0.00 -0.91 0.00 0.00 33.84 31.20 2qbc n VAL 58 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qbc n GLU 59 N 1.55 0.16 -3.84 5.55 2.13 -1.26 -4.24 120.64 120.69 2qbc n GLU 59 Ca 0.25 0.01 -0.22 0.00 0.66 0.00 0.00 57.16 57.86 2qbc n GLU 59 Cb 0.48 -1.75 -0.05 0.00 0.27 0.00 0.00 31.44 30.39 2qbc n GLU 59 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2qbc n LYS 60 N 8.42 0.99 0.00 5.31 3.00 -1.26 -4.70 118.16 129.92 2qbc n LYS 60 Ca 0.60 -2.57 0.00 0.00 -0.00 0.00 0.00 58.31 56.34 2qbc n LYS 60 Cb 0.09 0.90 0.00 0.00 0.00 0.00 0.00 35.03 36.01 2qbc n LYS 60 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2qbc n GLU 61 N -0.82 0.97 0.00 1.64 -0.58 -1.26 0.89 120.64 121.49 2qbc n GLU 61 Ca -0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 2qbc n GLU 61 Cb 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.32 2qbc n GLU 61 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qbc n ALA 62 N -3.00 0.00 -0.84 0.62 0.00 -0.11 -4.13 120.51 113.05 2qbc n ALA 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbc n ALA 62 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbc n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbc n ALA 63 N -0.08 -1.67 -2.40 0.00 0.00 -1.26 -5.07 120.51 110.03 2qbc n ALA 63 Ca 0.00 0.24 -0.12 0.00 0.00 0.00 0.00 53.44 53.57 2qbc n ALA 63 Cb 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 2qbc n ALA 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2qbc s ILE 64 N -3.04 0.67 -0.07 0.00 1.10 -0.11 -4.93 121.20 114.82 2qbc s ILE 64 Ca 0.00 -1.66 -0.37 0.00 -0.51 0.00 0.00 60.65 58.11 2qbc s ILE 64 Cb 0.00 -1.34 -0.15 0.00 0.15 0.00 0.00 42.46 41.12 2qbc s ILE 64 CO 0.00 -0.70 1.63 0.00 -2.11 0.00 0.00 174.94 173.75 2qbc n GLN 65 N 0.45 1.49 -0.31 3.50 1.13 -1.26 -0.87 117.38 121.52 2qbc n GLN 65 Ca -0.16 0.54 0.25 0.00 -1.94 0.00 0.00 57.00 55.70 2qbc n GLN 65 Cb 0.59 -2.26 0.57 0.00 0.11 0.00 0.00 30.24 29.25 2qbc n GLN 65 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 2qbc h VAL 66 N 4.47 0.51 0.00 5.09 3.04 -1.68 0.40 116.25 128.09 2qbc h VAL 66 Ca -0.47 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2qbc h VAL 66 Cb 1.31 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 2qbc h VAL 66 CO 0.89 0.05 0.00 -1.54 -1.01 0.00 0.00 177.57 175.97 2qbc n SER 67 N -4.51 0.05 -0.99 3.17 3.41 -1.26 -2.91 113.62 110.59 2qbc n SER 67 Ca 0.24 -1.40 0.02 0.00 -0.26 0.00 0.00 58.87 57.48 2qbc n SER 67 Cb 0.95 -0.02 0.22 0.00 -0.26 0.00 0.00 64.21 65.09 2qbc n SER 67 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2qbc n ASN 68 N -0.46 3.13 -4.13 4.04 3.02 0.14 -4.99 115.26 116.02 2qbc n ASN 68 Ca 0.00 -3.39 -0.11 0.00 -0.03 0.00 0.00 54.58 51.06 2qbc n ASN 68 Cb 0.01 -0.59 -0.09 0.00 -0.61 0.00 0.00 39.78 38.51 2qbc n ASN 68 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2qbc s VAL 69 N -3.04 0.03 -0.06 2.41 -7.23 -1.14 -1.73 120.40 109.63 2qbc s VAL 69 Ca 0.43 -1.82 -0.03 0.00 -1.81 0.00 0.00 61.98 58.75 2qbc s VAL 69 Cb 0.37 -2.29 0.04 0.00 0.56 0.00 0.00 36.38 35.06 2qbc s VAL 69 CO 0.04 -0.12 0.14 0.00 -0.31 0.00 0.00 175.10 174.85 2qbc s ALA 70 N -4.09 -0.27 -1.02 1.32 0.00 -1.26 -4.77 121.76 111.67 2qbc s ALA 70 Ca 0.31 0.65 -0.24 0.00 0.00 0.00 0.00 51.96 52.68 2qbc s ALA 70 Cb 0.05 -0.43 -0.08 0.00 0.00 0.00 0.00 23.12 22.66 2qbc s ALA 70 CO 0.08 -0.15 1.98 0.96 0.00 0.00 0.00 175.76 178.63 2qbc s ILE 71 N 1.07 3.44 -0.32 0.00 -4.36 -1.26 0.99 121.20 120.76 2qbc s ILE 71 Ca -0.08 -0.55 -0.42 0.00 -0.26 0.00 0.00 60.65 59.34 2qbc s ILE 71 Cb -0.11 -4.16 -0.17 0.00 1.25 0.00 0.00 42.46 39.27 2qbc s ILE 71 CO -0.05 -0.86 1.67 0.33 0.24 0.00 0.00 174.94 176.26 2qbc n PHE 72 N 14.75 1.90 0.61 1.37 7.35 0.66 -4.25 117.46 139.86 2qbc n PHE 72 Ca 0.42 0.74 0.11 0.00 -0.76 0.00 0.00 57.45 57.97 2qbc n PHE 72 Cb 0.47 -2.37 0.08 0.00 0.35 0.00 0.00 39.48 38.00 2qbc n PHE 72 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 2qbc n ASN 73 N 4.73 0.63 0.00 -2.13 2.04 0.24 -4.68 115.26 116.10 2qbc n ASN 73 Ca 0.27 -0.14 0.00 0.00 -0.44 0.00 0.00 54.58 54.27 2qbc n ASN 73 Cb 0.07 0.59 0.00 0.00 -2.53 0.00 0.00 39.78 37.92 2qbc n ASN 73 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2qbc n ALA 74 N -1.80 0.00 0.26 -2.53 0.00 -1.26 -4.54 120.51 110.64 2qbc n ALA 74 Ca 0.03 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.62 2qbc n ALA 74 Cb 0.43 0.00 0.84 0.00 0.00 0.00 0.00 19.45 20.72 2qbc n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbc h ALA 75 N 0.00 1.07 0.00 0.00 0.00 -1.93 -3.08 119.26 115.32 2qbc h ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qbc h ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qbc h ALA 75 CO 0.00 -0.07 0.00 0.25 0.00 0.00 0.00 179.25 179.43 2qbc n THR 76 N -2.64 0.00 -2.43 0.00 -2.24 -1.26 -5.04 114.28 100.66 2qbc n THR 76 Ca -0.02 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.74 2qbc n THR 76 Cb 0.13 0.69 0.01 0.00 -2.10 0.00 0.00 70.33 69.06 2qbc n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbc n GLY 77 N 0.00 0.69 0.00 3.38 0.00 -1.17 -5.02 105.19 103.07 2qbc n GLY 77 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2qbc n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbc n LYS 78 N -0.99 0.00 -3.21 1.61 0.00 -1.26 -4.94 118.16 109.38 2qbc n LYS 78 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.30 2qbc n LYS 78 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.52 2qbc n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbc s ALA 79 N -1.00 -2.16 -1.17 3.14 0.00 -1.26 0.80 121.76 120.11 2qbc s ALA 79 Ca 0.00 0.43 -0.22 0.00 0.00 0.00 0.00 51.96 52.17 2qbc s ALA 79 Cb 0.00 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.50 2qbc s ALA 79 CO 0.00 -2.04 1.88 -0.51 0.00 0.00 0.00 175.76 175.09 2qbc s ASP 80 N 2.22 5.43 0.30 0.00 1.11 -1.26 -4.79 116.67 119.68 2qbc s ASP 80 Ca 0.13 -1.70 0.00 0.00 0.18 0.00 0.00 52.55 51.16 2qbc s ASP 80 Cb -0.08 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.33 2qbc s ASP 80 CO -0.15 -2.64 0.00 0.54 1.18 0.00 0.00 175.17 174.10 2qbc n ARG 81 N 8.38 0.00 0.05 8.23 3.00 -1.26 0.30 116.66 135.36 2qbc n ARG 81 Ca 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.29 2qbc n ARG 81 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.93 2qbc n ARG 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2qbc n VAL 82 N 0.00 0.00 -1.14 1.55 0.31 -1.26 -4.78 118.33 113.00 2qbc n VAL 82 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.48 2qbc n VAL 82 Cb 0.00 -0.22 -0.05 0.00 -0.91 0.00 0.00 33.84 32.66 2qbc n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qbc n GLY 83 N -0.19 -2.53 3.26 2.92 0.00 -1.26 0.72 105.19 108.12 2qbc n GLY 83 Ca 0.00 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 2qbc n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qbc s PHE 84 N -3.03 -0.49 0.00 1.61 0.40 -1.26 -3.86 117.98 111.35 2qbc s PHE 84 Ca 0.00 1.12 0.00 0.00 -0.60 0.00 0.00 56.93 57.45 2qbc s PHE 84 Cb 0.00 0.19 0.00 0.00 0.51 0.00 0.00 43.02 43.72 2qbc s PHE 84 CO 0.00 -0.26 0.00 -2.13 0.70 0.00 0.00 175.22 173.53 2qbc n ARG 85 N 3.55 0.00 -3.47 0.44 0.00 0.08 -5.04 116.66 112.22 2qbc n ARG 85 Ca -0.18 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.68 2qbc n ARG 85 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 32.46 33.03 2qbc n ARG 85 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2qbc n PHE 86 N -1.41 -0.41 0.02 -0.14 -0.00 -1.17 -4.26 117.46 110.09 2qbc n PHE 86 Ca 0.00 -0.59 -0.14 0.00 -0.00 0.00 0.00 57.45 56.73 2qbc n PHE 86 Cb 0.00 0.27 -0.14 0.00 -0.00 0.00 0.00 39.48 39.61 2qbc n PHE 86 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 2qbc h GLU 87 N 0.00 0.13 -6.59 -4.13 -0.00 -1.92 -3.48 114.58 98.59 2qbc h GLU 87 Ca -0.17 -0.23 -0.49 0.00 -0.00 0.00 0.00 59.36 58.48 2qbc h GLU 87 Cb 0.90 0.08 0.02 0.00 -0.00 0.00 0.00 28.75 29.76 2qbc h GLU 87 CO 0.24 0.88 -0.12 0.34 -0.00 0.00 0.00 179.01 180.35 2qbc s ASP 88 N -6.62 5.09 0.58 3.06 3.68 -1.26 -4.96 116.67 116.25 2qbc s ASP 88 Ca -0.09 -0.86 0.30 0.00 2.13 0.00 0.00 52.55 54.03 2qbc s ASP 88 Cb 0.08 0.26 1.40 0.00 -1.45 0.00 0.00 42.92 43.21 2qbc s ASP 88 CO 0.82 -1.30 1.78 1.23 0.13 0.00 0.00 175.17 177.83 2qbc h GLY 89 N 0.24 0.00 -6.50 2.66 0.00 -2.03 -3.40 103.07 94.04 2qbc h GLY 89 Ca -0.31 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.42 2qbc h GLY 89 CO 0.42 0.00 1.37 0.28 0.00 0.00 0.00 176.54 178.61 2qbc n LYS 90 N -3.72 2.00 -0.02 4.80 5.02 -1.26 -4.85 118.16 120.13 2qbc n LYS 90 Ca 0.14 0.62 -0.09 0.00 -2.02 0.00 0.00 58.31 56.97 2qbc n LYS 90 Cb 0.92 -2.97 -0.03 0.00 -0.02 0.00 0.00 35.03 32.93 2qbc n LYS 90 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2qbc h LYS 91 N 12.90 -0.09 -4.25 1.97 3.64 -1.89 -3.36 116.57 125.49 2qbc h LYS 91 Ca -0.41 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 2qbc h LYS 91 Cb 1.26 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2qbc h LYS 91 CO 0.97 -0.06 -0.92 0.28 -2.27 0.00 0.00 179.45 177.44 2qbc n VAL 92 N -5.25 -8.01 -3.10 2.00 0.31 -1.26 -0.74 118.33 102.28 2qbc n VAL 92 Ca -0.03 2.80 -0.29 0.00 -0.01 0.00 0.00 64.34 66.82 2qbc n VAL 92 Cb 0.17 -3.96 -0.03 0.00 -0.91 0.00 0.00 33.84 29.12 2qbc n VAL 92 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qbc s ARG 93 N -1.48 3.67 -0.15 5.55 0.52 -1.26 -2.02 118.95 123.77 2qbc s ARG 93 Ca 0.00 0.17 -0.07 0.00 -0.52 0.00 0.00 55.73 55.31 2qbc s ARG 93 Cb 0.00 -2.53 0.06 0.00 0.52 0.00 0.00 34.95 33.00 2qbc s ARG 93 CO 0.00 0.08 0.34 -0.59 0.02 0.00 0.00 175.30 175.15 2qbc s PHE 94 N -2.26 -0.53 0.09 -0.53 -0.12 0.22 -1.57 117.98 113.28 2qbc s PHE 94 Ca 0.47 1.14 -0.31 0.00 -0.05 0.00 0.00 56.93 58.17 2qbc s PHE 94 Cb -0.10 0.16 -0.10 0.00 -0.63 0.00 0.00 43.02 42.35 2qbc s PHE 94 CO 0.32 -0.34 1.87 -0.06 -0.05 0.00 0.00 175.22 176.97 2qbc s PHE 95 N 1.75 1.85 1.21 3.49 0.40 -1.26 -4.00 117.98 121.42 2qbc s PHE 95 Ca -0.06 -0.17 -0.17 0.00 -0.60 0.00 0.00 56.93 55.92 2qbc s PHE 95 Cb -0.10 -4.20 0.24 0.00 0.51 0.00 0.00 43.02 39.47 2qbc s PHE 95 CO -0.11 -5.09 0.56 1.63 0.70 0.00 0.00 175.22 172.91 2qbc n LYS 96 N 6.32 -2.83 0.00 0.44 4.76 0.15 -0.12 118.16 126.87 2qbc n LYS 96 Ca 0.18 -0.82 0.00 0.00 -2.87 0.00 0.00 58.31 54.80 2qbc n LYS 96 Cb 0.39 -1.85 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 2qbc n LYS 96 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2qbc n SER 97 N -3.60 0.00 0.00 4.39 3.41 -1.26 -4.05 113.62 112.51 2qbc n SER 97 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2qbc n SER 97 Cb 0.55 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2qbc n SER 97 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2qbc n ASN 98 N 0.42 0.06 -3.50 4.04 0.23 -1.20 -5.01 115.26 110.29 2qbc n ASN 98 Ca 0.00 -0.33 -0.25 0.00 -0.53 0.00 0.00 54.58 53.46 2qbc n ASN 98 Cb 0.00 0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 2qbc n ASN 98 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2qbc n SER 99 N -0.18 -4.03 0.31 0.53 7.64 0.82 -4.78 113.62 113.93 2qbc n SER 99 Ca 0.00 -0.50 0.16 0.00 1.01 0.00 0.00 58.87 59.54 2qbc n SER 99 Cb 0.05 -3.31 0.84 0.00 -1.01 0.00 0.00 64.21 60.78 2qbc n SER 99 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2qbc h GLU 100 N -1.22 0.00 -5.54 1.43 4.57 -1.84 -3.45 114.58 108.54 2qbc h GLU 100 Ca -0.47 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.68 2qbc h GLU 100 Cb 1.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 2qbc h GLU 100 CO 0.58 0.00 -0.93 2.41 -1.18 0.00 0.00 179.01 179.89 2qbc n THR 101 N -2.81 -9.11 0.00 0.32 -1.04 -1.26 -4.86 114.28 95.52 2qbc n THR 101 Ca -0.02 1.28 0.00 0.00 -2.04 0.00 0.00 64.05 63.27 2qbc n THR 101 Cb 0.30 -5.89 0.00 0.00 -1.82 0.00 0.00 70.33 62.92 2qbc n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43