#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbc s GLU 2 N 0.00 1.17 -0.13 2.12 2.56 -1.26 -1.76 118.70 121.40 2qbc s GLU 2 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.97 54.74 2qbc s GLU 2 Cb 0.00 -1.17 -0.04 0.00 2.00 0.00 0.00 34.13 34.92 2qbc s GLU 2 CO 0.00 -0.13 0.06 -0.51 -0.56 0.00 0.00 175.26 174.12 2qbc s LEU 3 N 1.20 3.90 -0.29 2.70 2.01 -1.26 -4.92 118.68 122.03 2qbc s LEU 3 Ca -0.06 0.22 -0.28 0.00 0.01 0.00 0.00 54.13 54.03 2qbc s LEU 3 Cb -0.14 -1.94 0.01 0.00 0.01 0.00 0.00 46.19 44.13 2qbc s LEU 3 CO -0.02 0.32 1.00 -0.69 1.01 0.00 0.00 176.35 177.98 2qbc s VAL 4 N -0.53 4.62 -0.47 -1.59 1.01 -1.26 -1.53 120.40 120.64 2qbc s VAL 4 Ca 0.10 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.80 2qbc s VAL 4 Cb -0.12 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.94 2qbc s VAL 4 CO 0.02 -0.34 0.37 0.18 0.00 0.00 0.00 175.10 175.33 2qbc n LEU 5 N 6.56 0.99 0.00 3.92 4.77 -1.26 -4.71 117.00 127.27 2qbc n LEU 5 Ca 0.10 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 2qbc n LEU 5 Cb 0.47 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2qbc n LEU 5 CO 0.55 0.18 0.00 1.17 -1.33 0.00 0.00 177.39 177.97 2qbc n LYS 6 N 0.52 0.00 0.00 3.23 4.81 -1.25 -3.18 118.16 122.29 2qbc n LYS 6 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2qbc n LYS 6 Cb 0.18 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.23 2qbc n LYS 6 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2qbc n ASP 7 N 4.08 0.00 -0.12 3.14 3.85 -1.26 -0.22 116.55 126.03 2qbc n ASP 7 Ca 0.00 0.74 0.26 0.00 -0.71 0.00 0.00 54.79 55.09 2qbc n ASP 7 Cb 0.00 -0.33 0.72 0.00 -1.35 0.00 0.00 41.12 40.16 2qbc n ASP 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2qbc h ALA 8 N -0.96 2.69 -6.08 2.12 0.00 -1.97 -3.46 119.26 111.59 2qbc h ALA 8 Ca 0.00 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 2qbc h ALA 8 Cb 0.00 0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.87 2qbc h ALA 8 CO 0.00 -1.00 -0.62 1.04 0.00 0.00 0.00 179.25 178.66 2qbc n GLN 9 N -4.14 -1.40 0.00 0.00 3.00 0.70 -4.93 117.38 110.61 2qbc n GLN 9 Ca 0.16 1.00 0.00 0.00 -0.01 0.00 0.00 57.00 58.15 2qbc n GLN 9 Cb 0.89 -4.07 0.00 0.00 0.00 0.00 0.00 30.24 27.06 2qbc n GLN 9 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2qbc n SER 10 N -2.29 1.23 -1.39 1.08 7.64 -1.26 -4.89 113.62 113.74 2qbc n SER 10 Ca -0.15 -1.54 0.17 0.00 1.01 0.00 0.00 58.87 58.36 2qbc n SER 10 Cb 0.60 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.72 2qbc n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qbc n ALA 11 N -0.27 -3.63 0.00 -0.43 0.00 -1.24 -4.89 120.51 110.05 2qbc n ALA 11 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.21 2qbc n ALA 11 Cb 0.27 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2qbc n ALA 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qbc n LEU 12 N -4.25 1.29 -2.32 0.00 7.99 -0.58 -4.63 117.00 114.49 2qbc n LEU 12 Ca -0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 55.93 2qbc n LEU 12 Cb 0.65 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.96 2qbc n LEU 12 CO 0.03 0.16 -0.36 0.41 -1.51 0.00 0.00 177.39 176.12 2qbc n THR 13 N -2.51 -9.11 -4.41 -5.08 -1.04 -1.26 -4.92 114.28 85.95 2qbc n THR 13 Ca 0.00 1.39 -0.20 0.00 -2.04 0.00 0.00 64.05 63.20 2qbc n THR 13 Cb 0.37 -5.97 -0.10 0.00 -1.82 0.00 0.00 70.33 62.82 2qbc n THR 13 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2qbc s VAL 14 N -1.02 0.79 0.15 12.58 -7.23 -0.72 -5.01 120.40 119.94 2qbc s VAL 14 Ca -0.03 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.82 2qbc s VAL 14 Cb 0.00 -2.63 -0.10 0.00 0.56 0.00 0.00 36.38 34.21 2qbc s VAL 14 CO 0.54 0.00 1.61 -0.55 -0.31 0.00 0.00 175.10 176.40 2qbc s SER 15 N -3.45 6.56 0.00 4.85 0.15 -1.26 -3.46 113.70 117.09 2qbc s SER 15 Ca 0.34 2.63 0.26 0.00 0.70 0.00 0.00 55.95 59.88 2qbc s SER 15 Cb 0.07 -2.59 1.55 0.00 -1.71 0.00 0.00 66.02 63.34 2qbc s SER 15 CO 0.15 -0.86 1.93 1.21 1.20 0.00 0.00 173.24 176.87 2qbc n GLU 16 N 4.33 0.87 -0.07 5.44 2.13 -1.26 -2.12 120.64 129.96 2qbc n GLU 16 Ca 0.15 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.88 2qbc n GLU 16 Cb 0.38 -1.47 -0.15 0.00 0.27 0.00 0.00 31.44 30.48 2qbc n GLU 16 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2qbc n THR 17 N -0.97 1.41 0.58 6.31 -1.04 -1.26 -1.24 114.28 118.07 2qbc n THR 17 Ca 0.19 -0.82 0.11 0.00 -2.04 0.00 0.00 64.05 61.50 2qbc n THR 17 Cb 0.09 -0.64 0.15 0.00 -1.82 0.00 0.00 70.33 68.11 2qbc n THR 17 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2qbc n THR 18 N -2.83 0.28 -1.39 12.58 -2.24 -1.07 -3.79 114.28 115.81 2qbc n THR 18 Ca -0.26 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 2qbc n THR 18 Cb 1.09 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 70.53 2qbc n THR 18 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2qbc n PHE 19 N 1.35 0.00 0.00 4.78 3.72 -0.90 -4.47 117.46 121.94 2qbc n PHE 19 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 2qbc n PHE 19 Cb 0.58 0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 2qbc n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qbc n GLY 20 N 0.00 0.00 3.48 1.37 0.00 -0.37 -4.61 105.19 105.06 2qbc n GLY 20 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 2qbc n GLY 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbc n ARG 21 N -1.12 0.25 -1.34 1.61 3.00 -1.12 -4.94 116.66 113.00 2qbc n ARG 21 Ca 0.00 0.09 -0.29 0.00 -0.00 0.00 0.00 57.85 57.65 2qbc n ARG 21 Cb 0.02 -1.39 0.17 0.00 0.00 0.00 0.00 32.46 31.27 2qbc n ARG 21 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2qbc s ASP 22 N -0.41 2.69 0.51 6.15 1.47 -1.26 -4.50 116.67 121.33 2qbc s ASP 22 Ca 0.76 0.94 -0.19 0.00 1.18 0.00 0.00 52.55 55.24 2qbc s ASP 22 Cb -1.04 -1.47 -0.07 0.00 -0.34 0.00 0.00 42.92 39.99 2qbc s ASP 22 CO 0.56 -3.06 1.06 0.12 0.68 0.00 0.00 175.17 174.53 2qbc s PHE 23 N -3.15 2.92 -0.35 2.11 5.36 -1.26 -4.61 117.98 119.00 2qbc s PHE 23 Ca 0.66 1.56 0.15 0.00 -0.96 0.00 0.00 56.93 58.34 2qbc s PHE 23 Cb -0.15 -3.11 0.40 0.00 -0.34 0.00 0.00 43.02 39.82 2qbc s PHE 23 CO 0.55 -1.04 0.83 -1.71 -1.46 0.00 0.00 175.22 172.39 2qbc n ASN 24 N -1.20 1.08 -0.20 6.13 4.05 -1.26 -4.99 115.26 118.86 2qbc n ASN 24 Ca 0.10 -2.88 0.09 0.00 0.45 0.00 0.00 54.58 52.34 2qbc n ASN 24 Cb 0.52 -0.57 0.18 0.00 1.23 0.00 0.00 39.78 41.15 2qbc n ASN 24 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 2qbc n GLU 25 N 0.13 -0.05 -0.01 1.20 2.13 -1.26 0.56 120.64 123.35 2qbc n GLU 25 Ca 0.18 0.87 -0.09 0.00 0.66 0.00 0.00 57.16 58.77 2qbc n GLU 25 Cb 0.73 -1.39 -0.03 0.00 0.27 0.00 0.00 31.44 31.02 2qbc n GLU 25 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qbc h ALA 26 N 1.16 0.02 -1.05 4.31 0.00 -1.99 -1.62 119.26 120.09 2qbc h ALA 26 Ca 0.36 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2qbc h ALA 26 Cb 0.77 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2qbc h ALA 26 CO -0.54 -0.54 0.00 -0.11 0.00 0.00 0.00 179.25 178.06 2qbc n LEU 27 N -5.23 0.05 -0.31 0.00 7.94 0.19 -1.94 117.00 117.70 2qbc n LEU 27 Ca -0.03 0.80 0.26 0.00 -1.11 0.00 0.00 56.01 55.92 2qbc n LEU 27 Cb 0.15 -0.32 0.48 0.00 0.53 0.00 0.00 43.42 44.26 2qbc n LEU 27 CO 0.25 -0.32 0.93 1.33 -1.11 0.00 0.00 177.39 178.46 2qbc n VAL 28 N -1.47 -0.40 0.03 1.96 0.24 -1.10 0.13 118.33 117.72 2qbc n VAL 28 Ca 0.00 1.97 -0.12 0.00 -2.04 0.00 0.00 64.34 64.15 2qbc n VAL 28 Cb 0.00 -3.10 -0.07 0.00 -1.47 0.00 0.00 33.84 29.21 2qbc n VAL 28 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 2qbc h HIS 29 N 0.00 0.03 0.00 6.34 -0.00 -1.26 1.11 115.15 121.36 2qbc h HIS 29 Ca 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 61.11 2qbc h HIS 29 Cb 1.85 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 29.25 2qbc h HIS 29 CO -0.15 0.02 0.00 0.94 -0.00 0.00 0.00 177.93 178.74 2qbc n GLN 30 N -5.08 0.14 -0.08 5.26 7.27 0.35 -1.05 117.38 124.20 2qbc n GLN 30 Ca -0.06 0.18 -0.11 0.00 0.07 0.00 0.00 57.00 57.08 2qbc n GLN 30 Cb 0.03 -1.50 -0.09 0.00 2.41 0.00 0.00 30.24 31.09 2qbc n GLN 30 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2qbc n VAL 31 N -1.25 1.00 -0.09 1.69 0.31 0.15 -3.85 118.33 116.30 2qbc n VAL 31 Ca 0.04 -0.44 -0.14 0.00 -0.01 0.00 0.00 64.34 63.79 2qbc n VAL 31 Cb 0.07 -1.00 -0.04 0.00 -0.91 0.00 0.00 33.84 31.96 2qbc n VAL 31 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 2qbc h VAL 32 N 0.00 1.30 -0.17 2.52 -1.51 0.18 -1.25 116.25 117.33 2qbc h VAL 32 Ca -0.39 -1.51 -0.09 0.00 -1.23 0.00 0.00 66.70 63.48 2qbc h VAL 32 Cb 1.68 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 32.45 2qbc h VAL 32 CO -0.04 0.48 -0.28 0.58 -1.23 0.00 0.00 177.57 177.08 2qbc h VAL 33 N 0.46 1.26 -0.21 7.19 2.07 -1.32 0.21 116.25 125.91 2qbc h VAL 33 Ca 0.04 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 2qbc h VAL 33 Cb 0.91 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2qbc h VAL 33 CO 0.08 0.38 -0.14 0.00 0.02 0.00 0.00 177.57 177.92 2qbc h ALA 34 N 1.42 1.38 0.00 1.67 0.00 -1.61 -0.52 119.26 121.60 2qbc h ALA 34 Ca 0.04 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 2qbc h ALA 34 Cb 0.65 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2qbc h ALA 34 CO 0.05 0.43 -0.57 -0.92 0.00 0.00 0.00 179.25 178.23 2qbc h TYR 35 N 0.33 0.00 -0.14 0.00 5.03 -0.02 -3.10 116.97 119.06 2qbc h TYR 35 Ca 0.06 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.40 2qbc h TYR 35 Cb 0.44 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.70 2qbc h TYR 35 CO 0.01 0.57 -0.02 0.00 -1.32 0.00 0.00 178.16 177.41 2qbc h ALA 36 N 1.43 0.11 -3.00 1.82 0.00 0.96 -3.37 119.26 117.22 2qbc h ALA 36 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qbc h ALA 36 Cb 1.40 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2qbc h ALA 36 CO 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 179.25 178.86 2qbc n ALA 37 N -2.28 0.00 0.00 0.00 0.00 -0.78 -3.78 120.51 113.67 2qbc n ALA 37 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2qbc n ALA 37 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2qbc n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbc n GLY 38 N 3.21 0.77 0.08 0.00 0.00 -1.26 -3.96 105.19 104.03 2qbc n GLY 38 Ca 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2qbc n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbc n ALA 39 N 0.00 2.06 -2.06 4.61 0.00 -1.25 -4.76 120.51 119.12 2qbc n ALA 39 Ca 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 2qbc n ALA 39 Cb 0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 2qbc n ALA 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qbc s ARG 40 N -3.12 4.27 -0.13 0.00 1.81 -1.25 -5.01 118.95 115.51 2qbc s ARG 40 Ca 0.09 2.21 -0.06 0.00 -1.72 0.00 0.00 55.73 56.25 2qbc s ARG 40 Cb 0.13 -3.21 -0.04 0.00 -0.45 0.00 0.00 34.95 31.38 2qbc s ARG 40 CO 0.49 -0.52 0.09 -1.14 -0.68 0.00 0.00 175.30 173.55 2qbc s GLN 41 N 1.13 3.54 0.00 3.54 0.74 -1.26 -4.78 119.66 122.56 2qbc s GLN 41 Ca 0.67 -0.24 0.00 0.00 0.05 0.00 0.00 55.36 55.84 2qbc s GLN 41 Cb -0.40 -3.14 0.00 0.00 1.10 0.00 0.00 33.01 30.57 2qbc s GLN 41 CO 0.31 0.60 0.00 0.41 -0.55 0.00 0.00 175.29 176.06 2qbc n GLY 42 N 2.51 -1.48 3.02 2.59 0.00 -1.26 -4.94 105.19 105.63 2qbc n GLY 42 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 2qbc n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qbc n THR 43 N 0.00 -7.69 -4.10 2.61 -2.24 -1.26 -4.79 114.28 96.80 2qbc n THR 43 Ca 0.00 0.97 -0.26 0.00 -2.27 0.00 0.00 64.05 62.49 2qbc n THR 43 Cb 0.00 -5.35 -0.17 0.00 -2.10 0.00 0.00 70.33 62.71 2qbc n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2qbc s ARG 44 N -1.82 1.48 0.00 -0.78 1.81 -1.26 -4.90 118.95 113.48 2qbc s ARG 44 Ca 0.12 -0.27 0.00 0.00 -1.72 0.00 0.00 55.73 53.87 2qbc s ARG 44 Cb -0.02 -1.46 0.00 0.00 -0.45 0.00 0.00 34.95 33.02 2qbc s ARG 44 CO 0.59 -0.18 0.00 0.00 -0.68 0.00 0.00 175.30 175.03 2qbc n ALA 45 N 4.58 0.00 -1.36 2.13 0.00 -1.26 -4.08 120.51 120.53 2qbc n ALA 45 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2qbc n ALA 45 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2qbc n ALA 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qbc n GLN 46 N 0.00 -3.80 -3.81 0.00 1.13 -1.26 -4.55 117.38 105.09 2qbc n GLN 46 Ca 0.00 2.74 -0.26 0.00 -1.94 0.00 0.00 57.00 57.54 2qbc n GLN 46 Cb 0.00 -3.02 -0.17 0.00 0.11 0.00 0.00 30.24 27.16 2qbc n GLN 46 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2qbc s LYS 47 N -2.66 0.94 1.38 -1.09 1.02 -1.26 -4.73 119.74 113.34 2qbc s LYS 47 Ca 0.00 -0.23 -0.21 0.00 0.02 0.00 0.00 55.97 55.55 2qbc s LYS 47 Cb 0.00 -1.59 0.35 0.00 -0.52 0.00 0.00 37.83 36.06 2qbc s LYS 47 CO 0.00 -0.41 0.84 0.25 -0.92 0.00 0.00 175.35 175.10 2qbc n THR 48 N 5.03 0.00 0.72 2.17 -2.24 -1.26 -4.20 114.28 114.50 2qbc n THR 48 Ca -0.09 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2qbc n THR 48 Cb 0.49 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 2qbc n THR 48 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2qbc n ARG 49 N -5.24 0.48 0.00 -0.78 1.85 -1.15 -2.32 116.66 109.49 2qbc n ARG 49 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 2qbc n ARG 49 Cb 0.57 -1.12 0.00 0.00 -1.05 0.00 0.00 32.46 30.86 2qbc n ARG 49 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qbc n ALA 50 N -0.13 2.18 -0.10 2.89 0.00 -1.26 -4.68 120.51 119.41 2qbc n ALA 50 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2qbc n ALA 50 Cb 0.06 0.48 0.42 0.00 0.00 0.00 0.00 19.45 20.41 2qbc n ALA 50 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qbc h GLU 51 N 0.00 0.57 -6.27 0.00 4.39 -1.75 -3.44 114.58 108.08 2qbc h GLU 51 Ca 0.00 -0.03 -0.66 0.00 0.34 0.00 0.00 59.36 59.00 2qbc h GLU 51 Cb 0.97 -0.13 0.08 0.00 -0.10 0.00 0.00 28.75 29.58 2qbc h GLU 51 CO 0.00 0.38 0.11 0.28 -1.16 0.00 0.00 179.01 178.62 2qbc n VAL 52 N -4.47 1.10 -1.65 3.13 0.31 -1.18 -4.82 118.33 110.75 2qbc n VAL 52 Ca 0.08 -0.28 -0.42 0.00 -0.01 0.00 0.00 64.34 63.72 2qbc n VAL 52 Cb 0.22 -0.65 -0.01 0.00 -0.91 0.00 0.00 33.84 32.50 2qbc n VAL 52 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2qbc n THR 53 N 1.11 3.49 -4.54 2.52 -2.24 -1.26 -4.89 114.28 108.48 2qbc n THR 53 Ca 0.15 -2.90 -0.25 0.00 -2.27 0.00 0.00 64.05 58.78 2qbc n THR 53 Cb 0.24 -2.60 -0.09 0.00 -2.10 0.00 0.00 70.33 65.78 2qbc n THR 53 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2qbc s GLY 54 N 3.14 2.43 0.29 3.38 0.00 -1.26 -5.15 107.32 110.15 2qbc s GLY 54 Ca 0.50 -1.59 -0.11 0.00 0.00 0.00 0.00 44.72 43.52 2qbc s GLY 54 CO -0.08 -1.91 0.65 -0.45 0.00 0.00 0.00 173.10 171.31 2qbc s SER 55 N -3.61 6.65 0.05 1.64 0.15 -1.26 -4.96 113.70 112.35 2qbc s SER 55 Ca 0.28 1.06 0.22 0.00 0.70 0.00 0.00 55.95 58.21 2qbc s SER 55 Cb 0.06 -2.28 0.92 0.00 -1.71 0.00 0.00 66.02 63.00 2qbc s SER 55 CO 0.14 -0.18 1.70 0.61 1.20 0.00 0.00 173.24 176.71 2qbc n GLY 56 N -0.45 -1.29 3.60 9.45 0.00 -1.26 -4.72 105.19 110.51 2qbc n GLY 56 Ca 0.02 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2qbc n GLY 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbc n LYS 57 N -1.66 0.35 -3.99 1.61 4.81 -1.26 -4.99 118.16 113.03 2qbc n LYS 57 Ca 0.05 0.18 -0.31 0.00 -0.87 0.00 0.00 58.31 57.36 2qbc n LYS 57 Cb 0.27 -2.19 -0.15 0.00 0.02 0.00 0.00 35.03 32.97 2qbc n LYS 57 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2qbc s LYS 58 N -3.45 1.87 -0.76 1.64 3.01 -1.26 -4.44 119.74 116.35 2qbc s LYS 58 Ca 0.71 -1.08 -0.24 0.00 -1.01 0.00 0.00 55.97 54.35 2qbc s LYS 58 Cb -0.32 -2.66 -0.15 0.00 -1.01 0.00 0.00 37.83 33.68 2qbc s LYS 58 CO 0.53 -0.57 2.40 -2.30 0.51 0.00 0.00 175.35 175.92 2qbc n PRO 59 N 4.60 0.57 0.00 -1.68 -0.02 -1.26 -4.77 135.00 132.44 2qbc n PRO 59 Ca -0.13 -0.54 0.00 0.00 -2.02 0.00 0.00 63.50 60.81 2qbc n PRO 59 Cb 0.44 -3.24 0.00 0.00 -0.02 0.00 0.00 33.50 30.68 2qbc n PRO 59 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2qbc n TRP 60 N 16.27 0.00 0.00 6.00 5.03 -1.26 -4.64 117.44 138.84 2qbc n TRP 60 Ca 0.48 0.00 0.00 0.00 3.03 0.00 0.00 57.50 61.01 2qbc n TRP 60 Cb 0.40 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.68 2qbc n TRP 60 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 2qbc n ARG 61 N 0.00 0.00 0.00 -0.99 5.12 -1.26 -4.97 116.66 114.56 2qbc n ARG 61 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2qbc n ARG 61 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2qbc n ARG 61 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2qbc n GLN 62 N -1.92 0.00 -3.81 5.56 7.27 -1.26 -3.65 117.38 119.57 2qbc n GLN 62 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.71 2qbc n GLN 62 Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 2qbc n GLN 62 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2qbc s LYS 63 N 0.00 3.70 0.00 3.69 1.02 -1.26 -4.40 119.74 122.49 2qbc s LYS 63 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 55.97 55.87 2qbc s LYS 63 Cb 0.00 -3.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 2qbc s LYS 63 CO 0.00 0.62 0.00 0.41 -0.92 0.00 0.00 175.35 175.46 2qbc n GLY 64 N 2.44 3.36 3.82 -3.33 0.00 -1.24 -5.08 105.19 105.16 2qbc n GLY 64 Ca -0.18 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.46 2qbc n GLY 64 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qbc s THR 65 N -0.00 4.48 0.31 2.61 -1.32 -1.24 -4.99 115.64 115.48 2qbc s THR 65 Ca 0.00 1.34 0.06 0.00 -1.21 0.00 0.00 61.69 61.89 2qbc s THR 65 Cb 0.00 -3.73 0.06 0.00 -1.51 0.00 0.00 72.50 67.32 2qbc s THR 65 CO 0.00 -0.09 1.73 1.23 -2.21 0.00 0.00 174.62 175.28 2qbc h GLY 66 N 2.53 0.29 -1.19 6.08 0.00 -1.95 -3.46 103.07 105.38 2qbc h GLY 66 Ca -0.48 -0.25 -0.48 0.00 0.00 0.00 0.00 47.33 46.11 2qbc h GLY 66 CO 0.64 0.23 0.14 1.09 0.00 0.00 0.00 176.54 178.64 2qbc s ARG 67 N -4.26 0.26 1.08 4.80 1.70 -1.26 -5.00 118.95 116.26 2qbc s ARG 67 Ca -0.05 1.18 -0.15 0.00 -0.47 0.00 0.00 55.73 56.24 2qbc s ARG 67 Cb 0.14 -1.67 0.23 0.00 -0.57 0.00 0.00 34.95 33.08 2qbc s ARG 67 CO 0.77 -3.03 1.11 0.00 -1.08 0.00 0.00 175.30 173.07 2qbc s ALA 68 N -2.60 0.88 0.00 7.88 0.00 -1.26 -4.95 121.76 121.70 2qbc s ALA 68 Ca 0.67 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2qbc s ALA 68 Cb -0.23 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2qbc s ALA 68 CO 0.61 -3.12 0.13 0.54 0.00 0.00 0.00 175.76 173.92 2qbc n ARG 69 N -4.39 0.00 -2.30 0.00 5.12 -1.26 -4.93 116.66 108.90 2qbc n ARG 69 Ca 0.09 0.13 0.00 0.00 -1.93 0.00 0.00 57.85 56.14 2qbc n ARG 69 Cb 0.58 -0.28 0.00 0.00 -1.16 0.00 0.00 32.46 31.61 2qbc n ARG 69 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2qbc n SER 70 N -0.58 -9.39 0.00 0.55 3.41 -1.26 -4.72 113.62 101.63 2qbc n SER 70 Ca 0.00 1.80 0.00 0.00 -0.26 0.00 0.00 58.87 60.41 2qbc n SER 70 Cb 0.00 -5.11 0.00 0.00 -0.26 0.00 0.00 64.21 58.84 2qbc n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbc n GLY 71 N 1.79 -0.39 3.64 5.00 0.00 -1.26 -4.66 105.19 109.31 2qbc n GLY 71 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2qbc n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qbc s SER 72 N -0.02 -0.49 0.00 1.61 0.15 -1.26 -4.69 113.70 109.01 2qbc s SER 72 Ca 0.00 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.45 2qbc s SER 72 Cb 0.00 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.45 2qbc s SER 72 CO 0.00 -0.13 0.69 0.00 1.20 0.00 0.00 173.24 175.00 2qbc n ILE 73 N 3.47 0.61 -0.40 6.45 3.06 -1.26 -1.11 119.36 130.17 2qbc n ILE 73 Ca -0.18 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.07 2qbc n ILE 73 Cb 0.57 -0.78 0.00 0.00 0.54 0.00 0.00 39.64 39.97 2qbc n ILE 73 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2qbc n LYS 74 N 0.51 0.70 -1.64 9.51 5.02 -1.26 -4.90 118.16 126.10 2qbc n LYS 74 Ca 0.00 -0.12 -0.54 0.00 -2.02 0.00 0.00 58.31 55.63 2qbc n LYS 74 Cb 0.34 -0.51 -0.06 0.00 -0.02 0.00 0.00 35.03 34.78 2qbc n LYS 74 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2qbc n SER 75 N -0.13 2.05 -0.10 4.39 7.64 -0.27 -4.27 113.62 122.92 2qbc n SER 75 Ca 0.00 1.10 0.26 0.00 1.01 0.00 0.00 58.87 61.24 2qbc n SER 75 Cb 0.10 -1.18 0.60 0.00 -1.01 0.00 0.00 64.21 62.72 2qbc n SER 75 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2qbc h PRO 76 N 5.83 0.00 -0.06 1.43 0.11 -1.89 0.62 132.00 138.03 2qbc h PRO 76 Ca -0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 2qbc h PRO 76 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2qbc h PRO 76 CO 0.86 0.00 -0.24 0.82 -0.21 0.00 0.00 178.00 179.23 2qbc h ILE 77 N 0.00 1.44 -2.24 4.15 2.04 -1.90 -3.43 117.51 117.57 2qbc h ILE 77 Ca 0.38 -1.67 -0.46 0.00 1.00 0.00 0.00 64.86 64.11 2qbc h ILE 77 Cb 2.14 2.37 0.24 0.00 -0.74 0.00 0.00 36.82 40.82 2qbc h ILE 77 CO -0.00 0.47 -1.20 0.79 0.00 0.00 0.00 178.15 178.20 2qbc n TRP 78 N -4.51 -1.43 0.00 1.37 5.03 0.22 -5.02 117.44 113.10 2qbc n TRP 78 Ca -0.08 0.18 0.00 0.00 3.03 0.00 0.00 57.50 60.63 2qbc n TRP 78 Cb 0.46 -1.55 0.00 0.00 -1.03 0.00 0.00 31.31 29.18 2qbc n TRP 78 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 2qbc n ARG 79 N -1.69 0.00 -1.52 -0.99 0.63 -1.26 -4.82 116.66 107.01 2qbc n ARG 79 Ca 0.01 0.00 -0.52 0.00 -0.92 0.00 0.00 57.85 56.41 2qbc n ARG 79 Cb 0.63 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.49 2qbc n ARG 79 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2qbc n SER 80 N 0.00 0.46 -0.14 6.15 3.41 -1.26 -4.57 113.62 117.66 2qbc n SER 80 Ca 0.00 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 2qbc n SER 80 Cb 0.00 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 2qbc n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbc n GLY 81 N 1.89 -3.15 0.00 5.00 0.00 -1.26 -4.81 105.19 102.87 2qbc n GLY 81 Ca 0.17 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2qbc n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbc n GLY 82 N -0.17 -0.85 2.66 -0.02 0.00 -1.26 -4.63 105.19 100.93 2qbc n GLY 82 Ca 0.00 0.49 -0.00 0.00 0.00 0.00 0.00 46.02 46.51 2qbc n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qbc n VAL 83 N 0.00-11.54 -0.19 1.61 0.31 -1.26 -2.96 118.33 104.29 2qbc n VAL 83 Ca 0.00 1.72 -0.05 0.00 -0.01 0.00 0.00 64.34 66.00 2qbc n VAL 83 Cb 0.00 -6.82 0.00 0.00 -0.91 0.00 0.00 33.84 26.11 2qbc n VAL 83 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2qbc h THR 84 N 2.85 0.18 -3.14 2.52 2.02 -1.90 -3.22 112.91 112.22 2qbc h THR 84 Ca 0.00 0.00 -0.63 0.00 0.77 0.00 0.00 66.41 66.55 2qbc h THR 84 Cb 0.05 0.18 -0.42 0.00 -1.74 0.00 0.00 68.15 66.23 2qbc h THR 84 CO 0.10 0.00 -0.57 -0.36 0.37 0.00 0.00 175.52 175.06 2qbc s PHE 85 N -6.00 3.52 -0.68 3.16 0.08 -1.26 -4.82 117.98 111.97 2qbc s PHE 85 Ca -0.14 -3.31 -0.26 0.00 0.12 0.00 0.00 56.93 53.34 2qbc s PHE 85 Cb 0.16 -2.75 -0.10 0.00 -0.57 0.00 0.00 43.02 39.76 2qbc s PHE 85 CO 0.69 -0.58 2.35 0.00 -0.10 0.00 0.00 175.22 177.58 2qbc s ALA 86 N -1.26 1.16 0.78 5.36 0.00 -1.22 -4.92 121.76 121.66 2qbc s ALA 86 Ca 0.24 -0.55 -0.16 0.00 0.00 0.00 0.00 51.96 51.49 2qbc s ALA 86 Cb -0.08 -4.48 -0.05 0.00 0.00 0.00 0.00 23.12 18.51 2qbc s ALA 86 CO -0.14 -5.24 0.31 0.00 0.00 0.00 0.00 175.76 170.70 2qbc n ALA 87 N 17.11 -2.27 -2.18 0.00 0.00 -1.26 -4.81 120.51 127.10 2qbc n ALA 87 Ca 0.41 -0.34 -0.08 0.00 0.00 0.00 0.00 53.44 53.44 2qbc n ALA 87 Cb 0.48 -1.73 -0.10 0.00 0.00 0.00 0.00 19.45 18.10 2qbc n ALA 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qbc s ARG 88 N -2.70 0.61 -0.34 0.00 1.81 -1.26 -4.33 118.95 112.74 2qbc s ARG 88 Ca 0.60 -1.18 -0.43 0.00 -1.72 0.00 0.00 55.73 53.00 2qbc s ARG 88 Cb -0.32 0.15 -0.18 0.00 -0.45 0.00 0.00 34.95 34.15 2qbc s ARG 88 CO 0.63 -0.09 1.60 -2.30 -0.68 0.00 0.00 175.30 174.46 2qbc n PRO 89 N 0.22 0.53 -4.31 3.54 -0.02 -1.26 -4.73 135.00 128.98 2qbc n PRO 89 Ca -0.15 0.19 -0.28 0.00 -2.02 0.00 0.00 63.50 61.24 2qbc n PRO 89 Cb 0.60 -1.78 -0.05 0.00 -0.02 0.00 0.00 33.50 32.26 2qbc n PRO 89 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2qbc s GLN 90 N 2.82 2.21 -0.41 -0.52 -0.21 -1.26 -4.91 119.66 117.37 2qbc s GLN 90 Ca 1.00 -2.13 0.02 0.00 0.02 0.00 0.00 55.36 54.27 2qbc s GLN 90 Cb -1.28 -1.83 0.14 0.00 1.00 0.00 0.00 33.01 31.04 2qbc s GLN 90 CO 0.71 -0.37 0.23 0.34 -2.12 0.00 0.00 175.29 174.08 2qbc s ASP 91 N -4.01 3.43 0.00 5.90 2.15 -1.26 -4.03 116.67 118.84 2qbc s ASP 91 Ca 0.25 -2.50 0.14 0.00 0.43 0.00 0.00 52.55 50.87 2qbc s ASP 91 Cb 0.01 -0.84 0.85 0.00 -0.30 0.00 0.00 42.92 42.64 2qbc s ASP 91 CO 0.15 -0.28 1.28 1.41 -0.17 0.00 0.00 175.17 177.56 2qbc n HIS 92 N 3.68 0.00 -1.42 -5.34 8.25 -1.26 -4.83 115.22 114.29 2qbc n HIS 92 Ca 0.10 0.00 -0.55 0.00 -0.26 0.00 0.00 57.72 57.01 2qbc n HIS 92 Cb 0.35 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.36 2qbc n HIS 92 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2qbc n SER 93 N -1.01 1.71 -4.59 0.41 7.64 -1.26 -4.34 113.62 112.17 2qbc n SER 93 Ca 0.11 0.59 -0.26 0.00 1.01 0.00 0.00 58.87 60.32 2qbc n SER 93 Cb 0.05 -1.13 0.12 0.00 -1.01 0.00 0.00 64.21 62.24 2qbc n SER 93 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2qbc s GLN 94 N 5.77 1.53 0.00 1.43 -0.21 -1.26 -4.98 119.66 121.94 2qbc s GLN 94 Ca 1.11 -0.73 0.00 0.00 0.02 0.00 0.00 55.36 55.76 2qbc s GLN 94 Cb -1.10 -2.17 0.00 0.00 1.00 0.00 0.00 33.01 30.74 2qbc s GLN 94 CO 0.57 -1.64 0.00 1.17 -2.12 0.00 0.00 175.29 173.27 2qbc n LYS 95 N -3.09 0.00 -2.14 2.91 0.00 -1.26 -5.03 118.16 109.55 2qbc n LYS 95 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.42 2qbc n LYS 95 Cb 0.60 -0.19 -0.02 0.00 0.00 0.00 0.00 35.03 35.42 2qbc n LYS 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qbc n VAL 96 N -0.58 -8.34 -1.22 3.15 0.31 -1.26 -4.97 118.33 105.42 2qbc n VAL 96 Ca 0.00 1.41 -0.35 0.00 -0.01 0.00 0.00 64.34 65.39 2qbc n VAL 96 Cb 0.00 -5.38 0.10 0.00 -0.91 0.00 0.00 33.84 27.64 2qbc n VAL 96 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2qbc n ASN 97 N 0.78 0.03 0.25 4.52 3.02 -1.26 -4.76 115.26 117.84 2qbc n ASN 97 Ca -0.16 0.60 0.12 0.00 -0.03 0.00 0.00 54.58 55.11 2qbc n ASN 97 Cb 0.25 -1.37 0.76 0.00 -0.61 0.00 0.00 39.78 38.81 2qbc n ASN 97 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2qbc h LYS 98 N -0.56 0.00 0.17 3.52 1.57 -2.00 -1.23 116.57 118.04 2qbc h LYS 98 Ca -0.46 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.01 2qbc h LYS 98 Cb 1.32 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.64 2qbc h LYS 98 CO 0.45 0.00 -1.43 0.87 -0.57 0.00 0.00 179.45 178.77 2qbc h LYS 99 N 0.00 0.35 0.00 3.15 1.57 -2.00 -2.86 116.57 116.79 2qbc h LYS 99 Ca 0.02 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 2qbc h LYS 99 Cb 0.10 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2qbc h LYS 99 CO -0.00 1.26 0.00 0.52 -0.57 0.00 0.00 179.45 180.66 2qbc h MET 100 N 0.10 0.00 0.05 3.15 2.86 -1.73 -0.11 114.93 119.25 2qbc h MET 100 Ca -0.21 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2qbc h MET 100 Cb 2.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.71 2qbc h MET 100 CO 0.21 0.00 -0.02 -0.92 1.06 0.00 0.00 176.91 177.24 2qbc h TYR 101 N 0.00 -0.06 -0.37 -0.22 3.20 -1.26 -2.51 116.97 115.75 2qbc h TYR 101 Ca 0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2qbc h TYR 101 Cb 0.54 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 2qbc h TYR 101 CO 0.00 0.37 0.09 0.00 -1.64 0.00 0.00 178.16 176.98 2qbc h ARG 102 N -0.98 0.55 -0.74 1.82 3.08 -1.46 0.23 114.38 116.87 2qbc h ARG 102 Ca -0.01 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2qbc h ARG 102 Cb 0.45 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 2qbc h ARG 102 CO 0.01 0.50 0.44 0.78 -1.07 0.00 0.00 179.97 180.63 2qbc h GLY 103 N 0.76 1.07 0.53 0.04 0.00 -1.10 -2.83 103.07 101.55 2qbc h GLY 103 Ca 0.13 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 2qbc h GLY 103 CO -0.00 0.44 -0.01 0.00 0.00 0.00 0.00 176.54 176.96 2qbc h ALA 104 N 1.23 0.02 0.00 3.60 0.00 -0.82 -2.91 119.26 120.37 2qbc h ALA 104 Ca 0.26 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2qbc h ALA 104 Cb -0.03 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2qbc h ALA 104 CO -0.05 -0.22 0.35 1.28 0.00 0.00 0.00 179.25 180.61 2qbc n LEU 105 N -4.83 3.00 0.22 0.00 4.77 0.71 -1.79 117.00 119.09 2qbc n LEU 105 Ca -0.08 -2.02 0.00 0.00 -0.03 0.00 0.00 56.01 53.87 2qbc n LEU 105 Cb 0.26 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 2qbc n LEU 105 CO 0.34 0.64 0.00 0.29 -1.33 0.00 0.00 177.39 177.33 2qbc n LYS 106 N 2.93 0.00 0.14 3.23 5.02 -1.23 -4.71 118.16 123.55 2qbc n LYS 106 Ca 0.25 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.64 2qbc n LYS 106 Cb 0.44 0.00 0.53 0.00 -0.02 0.00 0.00 35.03 35.98 2qbc n LYS 106 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2qbc n SER 107 N -3.39 0.53 -0.03 4.39 2.88 -1.04 0.21 113.62 117.17 2qbc n SER 107 Ca 0.00 0.73 0.06 0.00 -1.33 0.00 0.00 58.87 58.33 2qbc n SER 107 Cb 0.00 -0.80 -0.17 0.00 -0.75 0.00 0.00 64.21 62.49 2qbc n SER 107 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qbc n ILE 108 N -2.19 0.31 -0.08 2.46 0.00 -0.74 -3.63 119.36 115.48 2qbc n ILE 108 Ca -0.01 -0.58 -0.13 0.00 0.00 0.00 0.00 62.75 62.04 2qbc n ILE 108 Cb 0.07 -0.10 -0.07 0.00 0.00 0.00 0.00 39.64 39.53 2qbc n ILE 108 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2qbc h LEU 109 N 0.00 0.00 -1.01 9.51 5.85 0.04 -3.17 115.31 126.52 2qbc h LEU 109 Ca -0.12 -0.36 0.11 0.00 0.84 0.00 0.00 57.88 58.35 2qbc h LEU 109 Cb 1.27 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.22 2qbc h LEU 109 CO 0.01 1.07 0.64 0.28 -0.34 0.00 0.00 178.44 180.10 2qbc h SER 110 N -1.00 0.95 -0.57 1.25 0.02 0.22 0.11 113.55 114.53 2qbc h SER 110 Ca -0.15 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 60.88 2qbc h SER 110 Cb 0.86 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.20 2qbc h SER 110 CO -0.09 0.53 0.31 -0.08 -1.14 0.00 0.00 176.83 176.36 2qbc h GLU 111 N 1.03 0.58 -0.09 3.45 4.22 -1.70 0.27 114.58 122.35 2qbc h GLU 111 Ca 0.48 -0.03 0.03 0.00 0.08 0.00 0.00 59.36 59.92 2qbc h GLU 111 Cb 0.42 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 2qbc h GLU 111 CO -0.25 0.38 -0.13 -0.07 -2.18 0.00 0.00 179.01 176.77 2qbc h LEU 112 N 0.60 -0.39 0.29 1.64 3.38 -0.80 0.64 115.31 120.66 2qbc h LEU 112 Ca 0.25 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2qbc h LEU 112 Cb 0.12 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2qbc h LEU 112 CO -0.15 -0.17 -0.34 0.58 0.09 0.00 0.00 178.44 178.45 2qbc h VAL 113 N -0.17 0.30 -0.94 1.22 2.07 -0.47 -0.50 116.25 117.76 2qbc h VAL 113 Ca 0.08 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.73 2qbc h VAL 113 Cb 0.28 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.27 2qbc h VAL 113 CO -0.19 0.00 0.60 0.03 0.02 0.00 0.00 177.57 178.03 2qbc h ARG 114 N -0.67 0.81 -0.43 1.57 3.08 -0.11 0.59 114.38 119.21 2qbc h ARG 114 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2qbc h ARG 114 Cb 0.63 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2qbc h ARG 114 CO -0.09 0.53 0.00 0.94 -1.07 0.00 0.00 179.97 180.28 2qbc n GLN 115 N -4.59 1.46 -3.46 0.04 7.27 0.22 -4.93 117.38 113.40 2qbc n GLN 115 Ca 0.18 -0.52 -0.27 0.00 0.07 0.00 0.00 57.00 56.46 2qbc n GLN 115 Cb 0.42 -1.31 0.02 0.00 2.41 0.00 0.00 30.24 31.78 2qbc n GLN 115 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2qbc n ASP 116 N -0.02 -5.88 0.00 1.69 9.92 0.21 -4.92 116.55 117.55 2qbc n ASP 116 Ca 0.05 -0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.02 2qbc n ASP 116 Cb 0.23 -2.54 0.00 0.00 -0.64 0.00 0.00 41.12 38.17 2qbc n ASP 116 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2qbc n ARG 117 N -1.07 0.00 -3.37 -1.24 1.74 -0.60 -4.97 116.66 107.14 2qbc n ARG 117 Ca -0.12 -0.17 -0.39 0.00 -0.77 0.00 0.00 57.85 56.40 2qbc n ARG 117 Cb 0.64 -0.31 -0.03 0.00 -1.02 0.00 0.00 32.46 31.74 2qbc n ARG 117 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2qbc n LEU 118 N 0.00 5.07 -4.57 0.55 0.00 -1.26 -1.38 117.00 115.41 2qbc n LEU 118 Ca 0.00 -5.17 -0.35 0.00 0.00 0.00 0.00 56.01 50.49 2qbc n LEU 118 Cb 0.39 -1.19 -0.03 0.00 0.00 0.00 0.00 43.42 42.58 2qbc n LEU 118 CO 0.00 1.60 1.65 -0.63 0.00 0.00 0.00 177.39 180.01 2qbc s ILE 119 N -1.86 3.79 0.06 1.96 -1.09 0.95 -4.95 121.20 120.06 2qbc s ILE 119 Ca 0.31 -1.19 -0.28 0.00 -2.23 0.00 0.00 60.65 57.27 2qbc s ILE 119 Cb -0.02 -4.79 -0.05 0.00 -1.58 0.00 0.00 42.46 36.01 2qbc s ILE 119 CO -0.04 -1.50 0.87 0.54 -1.23 0.00 0.00 174.94 173.58 2qbc s VAL 120 N 7.58 4.67 0.06 2.92 0.11 -1.12 -4.02 120.40 130.59 2qbc s VAL 120 Ca 0.60 1.85 0.02 0.00 -2.93 0.00 0.00 61.98 61.52 2qbc s VAL 120 Cb 0.00 -4.22 -0.03 0.00 -1.53 0.00 0.00 36.38 30.60 2qbc s VAL 120 CO 0.06 0.32 -0.07 0.68 -3.33 0.00 0.00 175.10 172.76 2qbc s VAL 121 N 0.13 0.55 -0.69 2.04 -7.23 -1.16 -3.96 120.40 110.07 2qbc s VAL 121 Ca 0.43 -1.43 -0.27 0.00 -1.81 0.00 0.00 61.98 58.90 2qbc s VAL 121 Cb -0.22 -1.04 0.01 0.00 0.56 0.00 0.00 36.38 35.69 2qbc s VAL 121 CO 0.26 -0.61 1.54 -1.61 -0.31 0.00 0.00 175.10 174.37 2qbc s GLU 122 N -2.55 2.94 0.30 4.82 8.01 -1.26 -3.18 118.70 127.78 2qbc s GLU 122 Ca -0.01 0.13 0.00 0.00 0.01 0.00 0.00 54.97 55.10 2qbc s GLU 122 Cb -0.03 -4.29 0.00 0.00 -4.31 0.00 0.00 34.13 25.50 2qbc s GLU 122 CO -0.02 -2.42 0.00 1.63 0.01 0.00 0.00 175.26 174.46 2qbc n LYS 123 N 9.29 -2.51 -3.70 1.61 5.02 -1.26 -4.98 118.16 121.64 2qbc n LYS 123 Ca 0.11 1.89 -0.11 0.00 -2.02 0.00 0.00 58.31 58.17 2qbc n LYS 123 Cb 0.50 -2.18 -0.12 0.00 -0.02 0.00 0.00 35.03 33.22 2qbc n LYS 123 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2qbc s PHE 124 N -3.31 -0.48 0.09 2.13 2.19 -1.26 -5.03 117.98 112.30 2qbc s PHE 124 Ca 0.00 1.06 -0.26 0.00 0.33 0.00 0.00 56.93 58.06 2qbc s PHE 124 Cb 0.00 0.14 0.08 0.00 -1.31 0.00 0.00 43.02 41.93 2qbc s PHE 124 CO 0.00 -0.31 0.79 0.45 1.83 0.00 0.00 175.22 177.98 2qbc s SER 125 N 1.61 -0.40 0.12 6.13 0.15 -1.26 -5.00 113.70 115.04 2qbc s SER 125 Ca -0.07 -0.09 0.08 0.00 0.70 0.00 0.00 55.95 56.57 2qbc s SER 125 Cb -0.10 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.66 2qbc s SER 125 CO -0.10 -0.81 -0.10 0.54 1.20 0.00 0.00 173.24 173.96 2qbc s VAL 126 N -3.40 3.29 0.00 4.45 0.11 -1.26 -5.06 120.40 118.54 2qbc s VAL 126 Ca 0.05 -1.37 -0.07 0.00 -2.93 0.00 0.00 61.98 57.66 2qbc s VAL 126 Cb -0.01 -2.56 -0.04 0.00 -1.53 0.00 0.00 36.38 32.24 2qbc s VAL 126 CO -0.08 0.06 0.75 -0.33 -3.33 0.00 0.00 175.10 172.18 2qbc h GLU 127 N 3.47 -0.26 -6.75 1.54 4.39 -1.97 -3.45 114.58 111.54 2qbc h GLU 127 Ca -0.49 0.02 -0.67 0.00 0.34 0.00 0.00 59.36 58.56 2qbc h GLU 127 Cb 1.17 0.06 -0.20 0.00 -0.10 0.00 0.00 28.75 29.69 2qbc h GLU 127 CO 0.52 -0.17 -0.82 0.00 -1.16 0.00 0.00 179.01 177.37 2qbc s ALA 128 N -3.53 2.56 -0.71 3.43 0.00 -1.26 -5.03 121.76 117.22 2qbc s ALA 128 Ca -0.04 -1.46 -0.28 0.00 0.00 0.00 0.00 51.96 50.18 2qbc s ALA 128 Cb 0.00 -0.50 -0.29 0.00 0.00 0.00 0.00 23.12 22.34 2qbc s ALA 128 CO 0.12 0.53 1.94 -2.30 0.00 0.00 0.00 175.76 176.05 2qbc n PRO 129 N 0.68 0.06 -3.72 0.00 -0.02 -1.23 -4.81 135.00 125.96 2qbc n PRO 129 Ca -0.16 -1.46 -0.19 0.00 -2.02 0.00 0.00 63.50 59.67 2qbc n PRO 129 Cb 0.54 -3.46 -0.17 0.00 -0.02 0.00 0.00 33.50 30.39 2qbc n PRO 129 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2qbc s LYS 130 N 8.03 0.05 0.00 -0.52 -0.14 -1.26 -4.86 119.74 121.04 2qbc s LYS 130 Ca 0.77 0.29 0.00 0.00 -1.36 0.00 0.00 55.97 55.68 2qbc s LYS 130 Cb 0.02 -0.53 0.00 0.00 -1.68 0.00 0.00 37.83 35.64 2qbc s LYS 130 CO 0.24 -0.29 1.42 0.25 -0.76 0.00 0.00 175.35 176.22 2qbc n THR 131 N 5.02 1.42 0.00 2.17 -2.24 -1.26 -2.68 114.28 116.71 2qbc n THR 131 Ca -0.09 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2qbc n THR 131 Cb 0.50 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 2qbc n THR 131 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2qbc n LYS 132 N 1.42 0.00 -0.02 -0.78 4.81 -1.26 -4.30 118.16 118.04 2qbc n LYS 132 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 2qbc n LYS 132 Cb 0.39 -0.42 -0.04 0.00 0.02 0.00 0.00 35.03 34.98 2qbc n LYS 132 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2qbc h LEU 133 N 0.00 -0.06 -1.01 3.14 3.38 -1.84 0.27 115.31 119.19 2qbc h LEU 133 Ca 0.00 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2qbc h LEU 133 Cb 0.73 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2qbc h LEU 133 CO 0.00 -0.01 0.03 0.25 0.09 0.00 0.00 178.44 178.80 2qbc h LEU 134 N 0.04 0.71 -1.88 1.67 5.85 -1.86 0.37 115.31 120.20 2qbc h LEU 134 Ca 0.06 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2qbc h LEU 134 Cb 0.08 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 2qbc h LEU 134 CO -0.11 0.76 -0.03 0.00 -0.34 0.00 0.00 178.44 178.71 2qbc h ALA 135 N 1.33 1.90 0.08 1.25 0.00 -1.37 -1.65 119.26 120.80 2qbc h ALA 135 Ca 0.15 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 2qbc h ALA 135 Cb 0.39 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2qbc h ALA 135 CO 0.01 0.08 -0.65 0.37 0.00 0.00 0.00 179.25 179.06 2qbc h GLN 136 N 0.03 0.16 -1.12 0.00 5.75 0.86 -3.30 115.11 117.50 2qbc h GLN 136 Ca 0.01 -0.27 0.35 0.00 -0.15 0.00 0.00 58.65 58.58 2qbc h GLN 136 Cb 0.08 0.10 -0.13 0.00 1.07 0.00 0.00 27.48 28.61 2qbc h GLN 136 CO 0.00 1.13 0.69 -0.22 -2.65 0.00 0.00 178.83 177.78 2qbc h LYS 137 N -0.64 0.25 0.87 1.69 1.63 0.31 0.24 116.57 120.93 2qbc h LYS 137 Ca -0.13 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.61 2qbc h LYS 137 Cb 1.40 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 32.98 2qbc h LYS 137 CO 0.05 0.17 -0.42 -0.07 -3.45 0.00 0.00 179.45 175.74 2qbc h LEU 138 N 0.26 -0.99 -1.23 5.20 3.38 -1.40 -0.92 115.31 119.61 2qbc h LEU 138 Ca 0.73 0.03 0.21 0.00 0.09 0.00 0.00 57.88 58.94 2qbc h LEU 138 Cb 1.93 0.26 -0.09 0.00 0.09 0.00 0.00 40.66 42.84 2qbc h LEU 138 CO -0.47 -0.70 0.62 0.50 0.09 0.00 0.00 178.44 178.49 2qbc h LYS 139 N -1.18 0.56 0.00 1.13 3.64 -0.68 1.99 116.57 122.03 2qbc h LYS 139 Ca -0.12 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 2qbc h LYS 139 Cb 0.90 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2qbc h LYS 139 CO 0.20 0.37 -0.21 -0.44 -2.27 0.00 0.00 179.45 177.09 2qbc h ASP 140 N 0.58 0.00 -0.17 4.20 3.45 -0.68 -2.79 116.42 121.01 2qbc h ASP 140 Ca 0.55 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.01 2qbc h ASP 140 Cb 1.12 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.89 2qbc h ASP 140 CO -0.31 0.21 0.00 0.23 -1.57 0.00 0.00 179.24 177.81 2qbc n MET 141 N -3.45 2.91 -3.31 3.56 2.81 0.18 -4.98 117.12 114.84 2qbc n MET 141 Ca -0.00 -1.81 -0.21 0.00 -1.81 0.00 0.00 57.70 53.87 2qbc n MET 141 Cb 0.39 -1.15 -0.02 0.00 -0.71 0.00 0.00 33.22 31.73 2qbc n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2qbc n ALA 142 N -0.04 -1.05 -3.66 3.04 0.00 0.62 -4.91 120.51 114.51 2qbc n ALA 142 Ca 0.06 0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.17 2qbc n ALA 142 Cb 0.35 -2.16 -0.14 0.00 0.00 0.00 0.00 19.45 17.50 2qbc n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qbc s LEU 143 N -6.24 3.34 0.07 0.00 1.43 -0.55 -4.98 118.68 111.75 2qbc s LEU 143 Ca 0.36 -0.90 0.09 0.00 -1.03 0.00 0.00 54.13 52.65 2qbc s LEU 143 Cb -0.20 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 2qbc s LEU 143 CO 0.44 -0.15 -0.26 -1.83 0.23 0.00 0.00 176.35 174.79 2qbc s GLU 144 N 1.33 1.61 -0.72 1.70 -1.05 -1.26 -4.59 118.70 115.72 2qbc s GLU 144 Ca -0.00 -1.15 -0.01 0.00 -0.15 0.00 0.00 54.97 53.65 2qbc s GLU 144 Cb -0.17 -1.87 0.00 0.00 -0.44 0.00 0.00 34.13 31.65 2qbc s GLU 144 CO -0.03 0.47 0.69 -3.47 0.95 0.00 0.00 175.26 173.86 2qbc n ASP 145 N 1.52 -7.62 -4.39 0.83 2.03 -1.13 -4.77 116.55 103.02 2qbc n ASP 145 Ca -0.17 -0.08 -0.20 0.00 0.52 0.00 0.00 54.79 54.85 2qbc n ASP 145 Cb 0.52 -5.08 -0.10 0.00 -0.72 0.00 0.00 41.12 35.75 2qbc n ASP 145 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2qbc s VAL 146 N -2.96 1.96 -0.12 5.18 1.01 -1.18 -3.05 120.40 121.23 2qbc s VAL 146 Ca 0.02 -2.27 -0.22 0.00 0.00 0.00 0.00 61.98 59.51 2qbc s VAL 146 Cb -0.01 -2.15 -0.26 0.00 0.00 0.00 0.00 36.38 33.96 2qbc s VAL 146 CO 0.76 -0.52 0.62 0.25 0.00 0.00 0.00 175.10 176.21 2qbc h LEU 147 N 2.45 0.22 -0.35 3.92 7.12 -0.88 -3.29 115.31 124.49 2qbc h LEU 147 Ca -0.39 -0.85 -0.36 0.00 0.13 0.00 0.00 57.88 56.42 2qbc h LEU 147 Cb 1.23 -0.07 0.10 0.00 -0.53 0.00 0.00 40.66 41.40 2qbc h LEU 147 CO 0.62 1.37 -0.58 -0.38 -0.13 0.00 0.00 178.44 179.34 2qbc n ILE 148 N -4.26 -2.40 -1.71 4.05 2.08 -1.26 -3.67 119.36 112.19 2qbc n ILE 148 Ca -0.20 0.00 -0.36 0.00 0.56 0.00 0.00 62.75 62.75 2qbc n ILE 148 Cb 0.72 -3.57 -0.03 0.00 -0.75 0.00 0.00 39.64 36.01 2qbc n ILE 148 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 2qbc s ILE 149 N -3.23 3.12 0.00 1.39 2.07 -1.26 -3.86 121.20 119.42 2qbc s ILE 149 Ca 0.45 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.75 2qbc s ILE 149 Cb -0.20 -3.31 0.00 0.00 0.13 0.00 0.00 42.46 39.08 2qbc s ILE 149 CO 0.55 -0.30 0.00 1.07 -1.91 0.00 0.00 174.94 174.35 2qbc n THR 150 N 7.77 0.00 -0.03 4.00 5.66 0.41 -3.28 114.28 128.81 2qbc n THR 150 Ca 0.32 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.27 2qbc n THR 150 Cb 0.54 -0.47 -0.02 0.00 -1.55 0.00 0.00 70.33 68.83 2qbc n THR 150 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qbc n GLY 151 N 1.42 -0.08 0.00 1.09 0.00 -1.26 -3.84 105.19 102.51 2qbc n GLY 151 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2qbc n GLY 151 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qbc n GLU 152 N -3.04 0.38 -1.39 1.61 4.07 -1.26 -4.04 120.64 116.98 2qbc n GLU 152 Ca -0.10 -0.58 0.17 0.00 -0.06 0.00 0.00 57.16 56.59 2qbc n GLU 152 Cb 0.58 -0.74 -0.09 0.00 -0.06 0.00 0.00 31.44 31.13 2qbc n GLU 152 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2qbc n LEU 153 N -0.11 -1.00 -3.15 4.31 7.94 -1.26 -5.04 117.00 118.69 2qbc n LEU 153 Ca 0.00 2.34 0.05 0.00 -1.11 0.00 0.00 56.01 57.29 2qbc n LEU 153 Cb 0.24 -2.92 -0.02 0.00 0.53 0.00 0.00 43.42 41.25 2qbc n LEU 153 CO 0.00 -2.05 0.51 1.51 -1.11 0.00 0.00 177.39 176.26 2qbc s ASP 154 N -7.13 -0.62 0.61 1.96 1.47 -1.26 -5.01 116.67 106.68 2qbc s ASP 154 Ca 0.00 0.39 0.18 0.00 1.18 0.00 0.00 52.55 54.30 2qbc s ASP 154 Cb 0.00 1.52 0.96 0.00 -0.34 0.00 0.00 42.92 45.06 2qbc s ASP 154 CO 0.00 -0.12 1.51 -0.33 0.68 0.00 0.00 175.17 176.92 2qbc h GLU 155 N 8.00 0.00 -0.06 2.11 4.39 -1.96 0.73 114.58 127.78 2qbc h GLU 155 Ca -0.15 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.57 2qbc h GLU 155 Cb 1.17 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2qbc h GLU 155 CO -0.03 0.00 0.05 -0.97 -1.16 0.00 0.00 179.01 176.89 2qbc h ASN 156 N 0.00 0.00 0.00 1.42 -1.24 -1.96 0.71 115.58 114.51 2qbc h ASN 156 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.78 2qbc h ASN 156 Cb 1.10 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.11 2qbc h ASN 156 CO 0.00 0.00 -1.87 -0.11 -1.29 0.00 0.00 177.43 174.16 2qbc n LEU 157 N -4.43 1.83 0.05 0.34 7.94 0.23 -3.54 117.00 119.43 2qbc n LEU 157 Ca -0.01 -0.05 0.07 0.00 -1.11 0.00 0.00 56.01 54.91 2qbc n LEU 157 Cb 0.15 -0.22 0.50 0.00 0.53 0.00 0.00 43.42 44.39 2qbc n LEU 157 CO 0.33 0.58 1.15 0.15 -1.11 0.00 0.00 177.39 178.49 2qbc h PHE 158 N 0.00 0.35 -0.33 1.96 3.04 -0.69 0.42 116.94 121.69 2qbc h PHE 158 Ca -0.34 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.59 2qbc h PHE 158 Cb 1.62 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 40.00 2qbc h PHE 158 CO 0.01 0.21 0.09 -0.07 -2.02 0.00 0.00 178.31 176.52 2qbc h LEU 159 N 0.36 0.43-10.77 0.59 4.07 0.21 -3.38 115.31 106.82 2qbc h LEU 159 Ca 0.14 -0.05 -0.45 0.00 0.08 0.00 0.00 57.88 57.60 2qbc h LEU 159 Cb 0.12 -0.11 0.13 0.00 1.08 0.00 0.00 40.66 41.89 2qbc h LEU 159 CO -0.03 0.43 0.32 0.00 -1.08 0.00 0.00 178.44 178.09 2qbc s ALA 160 N -5.14 2.72 0.00 1.53 0.00 0.15 -3.84 121.76 117.18 2qbc s ALA 160 Ca -0.07 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2qbc s ALA 160 Cb 0.16 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.72 2qbc s ALA 160 CO 0.74 -2.06 0.00 0.00 0.00 0.00 0.00 175.76 174.45 2qbc n ALA 161 N -3.43 0.00 -1.00 0.00 0.00 -1.26 -4.82 120.51 110.00 2qbc n ALA 161 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2qbc n ALA 161 Cb 0.60 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.69 2qbc n ALA 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbc n ARG 162 N -2.00 0.00 -0.33 0.00 1.74 -1.25 -3.62 116.66 111.20 2qbc n ARG 162 Ca 0.00 0.00 0.22 0.00 -0.77 0.00 0.00 57.85 57.30 2qbc n ARG 162 Cb 0.00 -0.74 0.45 0.00 -1.02 0.00 0.00 32.46 31.15 2qbc n ARG 162 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2qbc h ASN 163 N 0.00 0.49 -2.05 0.55 2.35 -1.87 -3.35 115.58 111.69 2qbc h ASN 163 Ca 0.00 0.19 -0.58 0.00 -0.55 0.00 0.00 56.30 55.35 2qbc h ASN 163 Cb 0.00 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 2qbc h ASN 163 CO 0.00 -0.11 1.46 -0.76 -1.65 0.00 0.00 177.43 176.37 2qbc s LEU 164 N -10.44 3.52 0.00 1.61 1.43 -1.24 -4.92 118.68 108.65 2qbc s LEU 164 Ca -0.10 1.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 2qbc s LEU 164 Cb 0.30 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 43.00 2qbc s LEU 164 CO 0.79 -1.89 0.00 1.57 0.23 0.00 0.00 176.35 177.05 2qbc n HIS 165 N 11.34 0.00 -1.13 0.29 -0.00 -1.26 -4.09 115.22 120.37 2qbc n HIS 165 Ca 0.29 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.76 2qbc n HIS 165 Cb 0.45 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.33 2qbc n HIS 165 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2qbc n LYS 166 N 0.00 0.05 0.00 1.57 4.76 -1.26 -4.66 118.16 118.62 2qbc n LYS 166 Ca 0.00 -1.30 0.00 0.00 -2.87 0.00 0.00 58.31 54.14 2qbc n LYS 166 Cb 0.00 -3.17 0.00 0.00 -1.84 0.00 0.00 35.03 30.02 2qbc n LYS 166 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2qbc n VAL 167 N 7.93 0.00 -3.42 -0.18 3.14 -1.26 -2.84 118.33 121.70 2qbc n VAL 167 Ca 0.40 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.62 2qbc n VAL 167 Cb 0.45 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.12 2qbc n VAL 167 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2qbc s ASP 168 N 0.00 1.21 -0.88 6.55 3.68 -1.24 -4.66 116.67 121.34 2qbc s ASP 168 Ca 0.00 -0.32 -0.25 0.00 2.13 0.00 0.00 52.55 54.12 2qbc s ASP 168 Cb 0.00 0.61 -0.04 0.00 -1.45 0.00 0.00 42.92 42.03 2qbc s ASP 168 CO 0.00 -0.34 1.93 0.68 0.13 0.00 0.00 175.17 177.57 2qbc s VAL 169 N 2.39 3.45 0.32 1.11 -7.23 -1.24 -4.46 120.40 114.74 2qbc s VAL 169 Ca 0.09 -0.32 -0.07 0.00 -1.81 0.00 0.00 61.98 59.87 2qbc s VAL 169 Cb -0.15 -4.02 -0.06 0.00 0.56 0.00 0.00 36.38 32.71 2qbc s VAL 169 CO -0.21 -0.96 0.63 -0.13 -0.31 0.00 0.00 175.10 174.12 2qbc s ARG 170 N 6.98 3.70 0.80 4.82 3.00 -1.25 -4.82 118.95 132.18 2qbc s ARG 170 Ca 0.69 0.20 -0.11 0.00 0.00 0.00 0.00 55.73 56.51 2qbc s ARG 170 Cb -0.07 -2.55 0.08 0.00 0.00 0.00 0.00 34.95 32.41 2qbc s ARG 170 CO 0.01 0.14 1.16 0.34 0.00 0.00 0.00 175.30 176.95 2qbc s ASP 171 N -3.08 4.47 0.17 0.23 2.15 -1.26 -0.44 116.67 118.91 2qbc s ASP 171 Ca 0.47 0.69 -0.14 0.00 0.43 0.00 0.00 52.55 53.99 2qbc s ASP 171 Cb -0.11 -1.18 0.07 0.00 -0.30 0.00 0.00 42.92 41.41 2qbc s ASP 171 CO 0.29 -1.91 1.83 0.00 -0.17 0.00 0.00 175.17 175.21 2qbc h ALA 172 N -1.01 0.65 0.00 3.66 0.00 -1.70 -1.66 119.26 119.19 2qbc h ALA 172 Ca -0.46 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 2qbc h ALA 172 Cb 1.32 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2qbc h ALA 172 CO 0.63 0.05 -0.54 1.79 0.00 0.00 0.00 179.25 181.19 2qbc h THR 173 N 0.65 1.07 0.00 0.00 1.35 -1.93 -3.00 112.91 111.05 2qbc h THR 173 Ca 0.19 -2.09 0.00 0.00 -0.55 0.00 0.00 66.41 63.96 2qbc h THR 173 Cb -0.04 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 2qbc h THR 173 CO -0.06 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.34 2qbc n GLY 174 N 0.71 -0.22 3.55 5.82 0.00 -0.63 -4.84 105.19 109.58 2qbc n GLY 174 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2qbc n GLY 174 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qbc n ILE 175 N -0.32 1.17 -3.71 -0.61 3.06 -1.14 -4.63 119.36 113.18 2qbc n ILE 175 Ca 0.00 -0.23 -0.11 0.00 -2.50 0.00 0.00 62.75 59.91 2qbc n ILE 175 Cb 0.04 -0.89 -0.12 0.00 0.54 0.00 0.00 39.64 39.20 2qbc n ILE 175 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2qbc s ASP 176 N -1.98 -0.40 0.03 9.51 -1.08 -1.26 -5.07 116.67 116.43 2qbc s ASP 176 Ca 0.66 0.72 -0.21 0.00 -0.52 0.00 0.00 52.55 53.20 2qbc s ASP 176 Cb -0.28 0.61 -0.11 0.00 -1.46 0.00 0.00 42.92 41.68 2qbc s ASP 176 CO 0.58 -0.17 1.31 -0.65 0.52 0.00 0.00 175.17 176.76 2qbc h PRO 177 N 7.02 -0.71 -0.06 4.34 0.11 -1.98 -0.23 132.00 140.48 2qbc h PRO 177 Ca -0.37 0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.80 2qbc h PRO 177 Cb 1.17 0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 2qbc h PRO 177 CO 0.33 -0.47 0.19 -0.24 -0.21 0.00 0.00 178.00 177.59 2qbc h VAL 178 N -0.73 0.16 0.12 3.15 3.04 -1.93 -1.83 116.25 118.22 2qbc h VAL 178 Ca -0.07 0.00 -0.16 0.00 -1.01 0.00 0.00 66.70 65.46 2qbc h VAL 178 Cb 0.57 0.83 0.02 0.00 -2.01 0.00 0.00 31.29 30.69 2qbc h VAL 178 CO 0.11 0.00 -0.70 0.28 -1.01 0.00 0.00 177.57 176.26 2qbc h SER 179 N 0.00 0.39 -0.64 3.17 0.02 -1.86 -2.03 113.55 112.60 2qbc h SER 179 Ca 0.03 -0.96 0.09 0.00 -0.84 0.00 0.00 61.79 60.12 2qbc h SER 179 Cb 0.40 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.74 2qbc h SER 179 CO -0.00 1.33 0.26 -0.07 -1.14 0.00 0.00 176.83 177.22 2qbc h LEU 180 N -0.48 0.29 -0.80 5.07 3.38 -0.17 0.35 115.31 122.95 2qbc h LEU 180 Ca -0.12 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2qbc h LEU 180 Cb 1.54 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.32 2qbc h LEU 180 CO 0.12 0.17 -0.14 -0.29 0.09 0.00 0.00 178.44 178.39 2qbc h ILE 181 N 0.46 0.31 -2.92 1.22 2.10 -1.61 -3.45 117.51 113.62 2qbc h ILE 181 Ca 0.32 -1.07 -0.26 0.00 1.08 0.00 0.00 64.86 64.93 2qbc h ILE 181 Cb 0.38 1.84 0.12 0.00 -1.09 0.00 0.00 36.82 38.07 2qbc h ILE 181 CO -0.30 0.14 0.17 0.00 -1.08 0.00 0.00 178.15 177.08 2qbc n ALA 182 N -2.16 -1.59 -0.90 0.18 0.00 0.12 -4.83 120.51 111.33 2qbc n ALA 182 Ca 0.01 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.39 2qbc n ALA 182 Cb 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2qbc n ALA 182 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2qbc n PHE 183 N -3.60 0.00 0.00 0.00 3.01 -1.26 -4.69 117.46 110.92 2qbc n PHE 183 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 2qbc n PHE 183 Cb 0.37 0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 2qbc n PHE 183 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2qbc n ASP 184 N 0.68 0.00 -3.84 4.37 8.00 -1.25 -5.10 116.55 119.41 2qbc n ASP 184 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 2qbc n ASP 184 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 2qbc n ASP 184 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2qbc s LYS 185 N -0.39 0.04 -0.05 -1.24 2.47 -1.17 -4.82 119.74 114.58 2qbc s LYS 185 Ca 0.00 0.10 0.04 0.00 -1.56 0.00 0.00 55.97 54.55 2qbc s LYS 185 Cb 0.00 -0.02 0.00 0.00 -1.46 0.00 0.00 37.83 36.35 2qbc s LYS 185 CO 0.00 -0.04 -0.15 0.54 0.16 0.00 0.00 175.35 175.86 2qbc s VAL 186 N 0.23 1.31 0.00 4.02 0.11 -0.48 -0.19 120.40 125.41 2qbc s VAL 186 Ca -0.02 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 2qbc s VAL 186 Cb -0.03 -1.14 0.00 0.00 -1.53 0.00 0.00 36.38 33.68 2qbc s VAL 186 CO -0.01 0.38 0.00 0.52 -3.33 0.00 0.00 175.10 172.67 2qbc n VAL 187 N 3.30 0.00 -1.50 2.04 0.31 -1.26 -0.04 118.33 121.18 2qbc n VAL 187 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2qbc n VAL 187 Cb 0.53 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 2qbc n VAL 187 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2qbc n MET 188 N -0.41 -3.67 -2.51 5.55 0.00 -1.21 -2.81 117.12 112.06 2qbc n MET 188 Ca 0.00 2.76 -0.26 0.00 0.00 0.00 0.00 57.70 60.20 2qbc n MET 188 Cb 0.00 -2.80 0.03 0.00 0.00 0.00 0.00 33.22 30.45 2qbc n MET 188 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2qbc s THR 189 N -0.45 3.77 -1.19 1.12 -4.23 -1.24 -3.01 115.64 110.41 2qbc s THR 189 Ca 0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 2qbc s THR 189 Cb 0.00 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.36 2qbc s THR 189 CO 0.00 -0.46 0.86 0.00 -0.54 0.00 0.00 174.62 174.48 2qbc n ALA 190 N -2.48 1.08 -0.10 3.99 0.00 -1.19 -1.08 120.51 120.73 2qbc n ALA 190 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.30 2qbc n ALA 190 Cb 0.57 -0.96 -0.09 0.00 0.00 0.00 0.00 19.45 18.97 2qbc n ALA 190 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2qbc h ASP 191 N 0.00 0.00 -0.68 0.00 1.82 -1.91 -3.30 116.42 112.35 2qbc h ASP 191 Ca 0.00 -0.40 -0.05 0.00 -0.39 0.00 0.00 57.03 56.20 2qbc h ASP 191 Cb 0.03 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.01 2qbc h ASP 191 CO 0.00 1.32 0.25 0.00 -1.61 0.00 0.00 179.24 179.20 2qbc h ALA 192 N -0.60 0.89 -0.10 -0.78 0.00 -1.55 -1.05 119.26 116.07 2qbc h ALA 192 Ca -0.27 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.47 2qbc h ALA 192 Cb 1.12 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2qbc h ALA 192 CO -0.16 0.53 0.18 0.28 0.00 0.00 0.00 179.25 180.08 2qbc h VAL 193 N 0.98 0.26 0.13 0.00 2.07 -1.29 0.84 116.25 119.25 2qbc h VAL 193 Ca 0.22 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.54 2qbc h VAL 193 Cb 0.25 0.85 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2qbc h VAL 193 CO -0.01 0.00 -0.97 0.50 0.02 0.00 0.00 177.57 177.10 2qbc h LYS 194 N 0.00 0.28 -0.01 1.57 3.64 -1.28 -2.97 116.57 117.80 2qbc h LYS 194 Ca 0.05 -0.48 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 2qbc h LYS 194 Cb 0.40 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2qbc h LYS 194 CO -0.00 1.23 -0.03 1.96 -2.27 0.00 0.00 179.45 180.34 2qbc h GLN 195 N -0.37 0.04 0.00 1.90 4.20 -0.62 -2.66 115.11 117.61 2qbc h GLN 195 Ca -0.19 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.49 2qbc h GLN 195 Cb 1.67 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.45 2qbc h GLN 195 CO 0.12 0.66 0.00 0.28 -0.67 0.00 0.00 178.83 179.22 2qbc n VAL 196 N -4.75 1.52 0.10 -0.54 0.31 0.28 0.90 118.33 116.14 2qbc n VAL 196 Ca -0.09 0.54 -0.22 0.00 -0.01 0.00 0.00 64.34 64.57 2qbc n VAL 196 Cb 0.33 -1.52 -0.13 0.00 -0.91 0.00 0.00 33.84 31.62 2qbc n VAL 196 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2qbc h GLU 197 N 0.00 0.58 0.05 5.55 4.57 -1.30 -3.28 114.58 120.75 2qbc h GLU 197 Ca 0.00 -0.80 -0.33 0.00 -1.18 0.00 0.00 59.36 57.05 2qbc h GLU 197 Cb 0.04 0.27 -0.04 0.00 -0.16 0.00 0.00 28.75 28.87 2qbc h GLU 197 CO 0.00 1.36 -1.88 -0.85 -1.18 0.00 0.00 179.01 176.46 2qbc n GLU 198 N -3.76 0.69 -0.38 1.92 0.00 0.26 -4.03 120.64 115.34 2qbc n GLU 198 Ca -0.13 0.27 0.29 0.00 0.00 0.00 0.00 57.16 57.59 2qbc n GLU 198 Cb 1.00 -1.74 0.56 0.00 0.00 0.00 0.00 31.44 31.26 2qbc n GLU 198 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.13 179.11 2qbc h MET 199 N 0.03 0.23 -5.90 3.44 4.05 0.39 -3.37 114.93 113.79 2qbc h MET 199 Ca -0.36 -0.01 -0.62 0.00 -0.28 0.00 0.00 59.70 58.42 2qbc h MET 199 Cb 2.03 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 32.73 2qbc h MET 199 CO 0.08 0.15 -0.44 -0.51 0.23 0.00 0.00 176.91 176.42 2qbc s LEU 200 N -9.74 4.35 0.00 3.39 2.01 -1.24 -5.07 118.68 112.39 2qbc s LEU 200 Ca -0.08 0.42 0.00 0.00 0.01 0.00 0.00 54.13 54.48 2qbc s LEU 200 Cb 0.28 -2.80 0.00 0.00 0.01 0.00 0.00 46.19 43.69 2qbc s LEU 200 CO 0.81 0.21 0.00 0.00 1.01 0.00 0.00 176.35 178.38