#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba s GLU 2 N 0.00 0.97 -0.13 2.12 2.56 -1.26 -1.94 118.70 121.02 2qba s GLU 2 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 54.97 54.81 2qba s GLU 2 Cb 0.00 -1.04 -0.04 0.00 2.00 0.00 0.00 34.13 35.06 2qba s GLU 2 CO 0.00 -0.15 0.07 -0.51 -0.56 0.00 0.00 175.26 174.11 2qba s LEU 3 N 1.25 3.93 -0.28 2.70 2.01 -1.26 -4.92 118.68 122.12 2qba s LEU 3 Ca -0.05 0.24 -0.28 0.00 0.01 0.00 0.00 54.13 54.05 2qba s LEU 3 Cb -0.14 -1.95 0.01 0.00 0.01 0.00 0.00 46.19 44.12 2qba s LEU 3 CO -0.02 0.33 0.99 -0.69 1.01 0.00 0.00 176.35 177.97 2qba s VAL 4 N -0.56 4.65 -0.39 -1.59 1.01 -1.26 -1.50 120.40 120.75 2qba s VAL 4 Ca 0.11 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.83 2qba s VAL 4 Cb -0.12 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.96 2qba s VAL 4 CO 0.02 -0.29 0.40 0.18 0.00 0.00 0.00 175.10 175.41 2qba n LEU 5 N 6.47 1.10 0.00 3.92 4.77 -1.26 -4.72 117.00 127.28 2qba n LEU 5 Ca 0.10 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 2qba n LEU 5 Cb 0.47 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2qba n LEU 5 CO 0.54 0.20 0.00 1.17 -1.33 0.00 0.00 177.39 177.97 2qba n LYS 6 N 0.55 0.00 0.00 3.23 4.81 -1.25 -3.16 118.16 122.34 2qba n LYS 6 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2qba n LYS 6 Cb 0.20 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.25 2qba n LYS 6 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2qba n ASP 7 N 4.19 0.00 -0.15 3.14 3.85 -1.26 -0.44 116.55 125.88 2qba n ASP 7 Ca 0.00 0.75 0.28 0.00 -0.71 0.00 0.00 54.79 55.11 2qba n ASP 7 Cb 0.00 -0.32 0.72 0.00 -1.35 0.00 0.00 41.12 40.18 2qba n ASP 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2qba h ALA 8 N -1.09 2.77 -6.06 2.12 0.00 -1.97 -3.46 119.26 111.57 2qba h ALA 8 Ca 0.00 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 2qba h ALA 8 Cb 0.00 0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.88 2qba h ALA 8 CO 0.00 -1.10 -0.62 1.04 0.00 0.00 0.00 179.25 178.57 2qba n GLN 9 N -4.14 -1.39 0.00 0.00 3.00 0.42 -4.93 117.38 110.34 2qba n GLN 9 Ca 0.18 0.99 0.00 0.00 -0.01 0.00 0.00 57.00 58.16 2qba n GLN 9 Cb 0.96 -4.13 0.00 0.00 0.00 0.00 0.00 30.24 27.07 2qba n GLN 9 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2qba n SER 10 N -2.30 1.34 -1.46 1.08 7.64 -1.26 -4.89 113.62 113.76 2qba n SER 10 Ca -0.14 -1.61 0.18 0.00 1.01 0.00 0.00 58.87 58.31 2qba n SER 10 Cb 0.59 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.71 2qba n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qba n ALA 11 N -0.31 -3.82 0.00 -0.43 0.00 -1.25 -4.89 120.51 109.82 2qba n ALA 11 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 53.44 54.28 2qba n ALA 11 Cb 0.28 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2qba n ALA 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qba n LEU 12 N -4.35 1.13 -2.27 0.00 7.99 -0.56 -4.64 117.00 114.29 2qba n LEU 12 Ca -0.07 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 55.92 2qba n LEU 12 Cb 0.69 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.99 2qba n LEU 12 CO 0.03 0.14 -0.34 0.41 -1.51 0.00 0.00 177.39 176.12 2qba n THR 13 N -2.62 -8.62 -4.43 -5.08 -1.04 -1.26 -4.93 114.28 86.30 2qba n THR 13 Ca 0.00 1.28 -0.22 0.00 -2.04 0.00 0.00 64.05 63.08 2qba n THR 13 Cb 0.40 -5.84 -0.10 0.00 -1.82 0.00 0.00 70.33 62.97 2qba n THR 13 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2qba s VAL 14 N -0.97 0.81 0.15 12.58 -7.23 -0.82 -5.01 120.40 119.90 2qba s VAL 14 Ca -0.03 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.83 2qba s VAL 14 Cb 0.00 -2.60 -0.10 0.00 0.56 0.00 0.00 36.38 34.24 2qba s VAL 14 CO 0.51 0.00 1.58 -0.55 -0.31 0.00 0.00 175.10 176.33 2qba s SER 15 N -3.48 6.59 0.00 4.85 0.15 -1.26 -3.60 113.70 116.95 2qba s SER 15 Ca 0.33 2.59 0.28 0.00 0.70 0.00 0.00 55.95 59.85 2qba s SER 15 Cb 0.06 -2.59 1.65 0.00 -1.71 0.00 0.00 66.02 63.43 2qba s SER 15 CO 0.15 -0.83 2.00 1.21 1.20 0.00 0.00 173.24 176.97 2qba n GLU 16 N 4.24 0.88 -0.06 5.44 2.13 -1.26 -2.08 120.64 129.94 2qba n GLU 16 Ca 0.14 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.88 2qba n GLU 16 Cb 0.39 -1.49 -0.15 0.00 0.27 0.00 0.00 31.44 30.46 2qba n GLU 16 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2qba n THR 17 N -0.99 1.38 0.65 6.31 -1.04 -1.26 -1.20 114.28 118.13 2qba n THR 17 Ca 0.21 -0.81 0.11 0.00 -2.04 0.00 0.00 64.05 61.52 2qba n THR 17 Cb 0.09 -0.64 0.14 0.00 -1.82 0.00 0.00 70.33 68.10 2qba n THR 17 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2qba n THR 18 N -2.83 0.22 -1.39 12.58 -2.24 -1.08 -3.82 114.28 115.73 2qba n THR 18 Ca -0.25 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 2qba n THR 18 Cb 1.07 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 70.56 2qba n THR 18 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2qba n PHE 19 N 1.31 0.00 0.00 4.78 3.72 -0.88 -4.46 117.46 121.93 2qba n PHE 19 Ca 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 2qba n PHE 19 Cb 0.57 0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 2qba n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qba n GLY 20 N 0.00 0.00 3.43 1.37 0.00 -0.34 -4.62 105.19 105.03 2qba n GLY 20 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 2qba n GLY 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qba n ARG 21 N -1.17 0.03 -1.52 1.61 3.00 -1.10 -4.94 116.66 112.57 2qba n ARG 21 Ca 0.00 0.01 -0.29 0.00 -0.00 0.00 0.00 57.85 57.57 2qba n ARG 21 Cb 0.09 -1.16 0.14 0.00 0.00 0.00 0.00 32.46 31.53 2qba n ARG 21 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2qba s ASP 22 N -0.71 3.37 0.56 6.15 1.47 -1.26 -4.52 116.67 121.73 2qba s ASP 22 Ca 0.71 0.93 -0.18 0.00 1.18 0.00 0.00 52.55 55.19 2qba s ASP 22 Cb -1.02 -1.47 -0.05 0.00 -0.34 0.00 0.00 42.92 40.04 2qba s ASP 22 CO 0.56 -2.64 1.09 0.12 0.68 0.00 0.00 175.17 174.98 2qba s PHE 23 N -3.28 2.81 -0.35 2.11 5.36 -1.26 -4.62 117.98 118.75 2qba s PHE 23 Ca 0.64 1.55 0.15 0.00 -0.96 0.00 0.00 56.93 58.31 2qba s PHE 23 Cb -0.14 -3.15 0.40 0.00 -0.34 0.00 0.00 43.02 39.79 2qba s PHE 23 CO 0.53 -1.30 0.87 -1.71 -1.46 0.00 0.00 175.22 172.15 2qba n ASN 24 N -1.56 0.97 -0.19 6.13 4.05 -1.26 -4.99 115.26 118.41 2qba n ASN 24 Ca 0.10 -2.86 0.09 0.00 0.45 0.00 0.00 54.58 52.36 2qba n ASN 24 Cb 0.52 -0.46 0.18 0.00 1.23 0.00 0.00 39.78 41.25 2qba n ASN 24 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 2qba n GLU 25 N 0.09 -0.04 -0.01 1.20 2.13 -1.26 0.70 120.64 123.45 2qba n GLU 25 Ca 0.16 0.82 -0.09 0.00 0.66 0.00 0.00 57.16 58.70 2qba n GLU 25 Cb 0.75 -1.32 -0.04 0.00 0.27 0.00 0.00 31.44 31.10 2qba n GLU 25 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qba h ALA 26 N 1.10 0.04 -1.05 4.31 0.00 -1.99 -1.70 119.26 119.96 2qba h ALA 26 Ca 0.35 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2qba h ALA 26 Cb 0.76 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2qba h ALA 26 CO -0.51 -0.52 0.00 -0.11 0.00 0.00 0.00 179.25 178.11 2qba n LEU 27 N -5.21 0.08 -0.31 0.00 7.94 0.22 -1.99 117.00 117.73 2qba n LEU 27 Ca -0.04 0.79 0.28 0.00 -1.11 0.00 0.00 56.01 55.94 2qba n LEU 27 Cb 0.13 -0.32 0.52 0.00 0.53 0.00 0.00 43.42 44.28 2qba n LEU 27 CO 0.25 -0.32 0.97 1.33 -1.11 0.00 0.00 177.39 178.51 2qba n VAL 28 N -1.47 -0.40 0.03 1.96 0.24 -1.10 0.13 118.33 117.72 2qba n VAL 28 Ca 0.00 1.95 -0.12 0.00 -2.04 0.00 0.00 64.34 64.13 2qba n VAL 28 Cb 0.00 -3.12 -0.07 0.00 -1.47 0.00 0.00 33.84 29.18 2qba n VAL 28 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 2qba h HIS 29 N 0.00 0.03 0.00 6.34 -0.00 -1.28 1.03 115.15 121.27 2qba h HIS 29 Ca 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 61.15 2qba h HIS 29 Cb 2.01 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 29.41 2qba h HIS 29 CO -0.07 0.06 0.00 0.94 -0.00 0.00 0.00 177.93 178.86 2qba n GLN 30 N -5.05 0.13 -0.09 5.26 7.27 0.36 -1.08 117.38 124.17 2qba n GLN 30 Ca -0.07 0.19 -0.12 0.00 0.07 0.00 0.00 57.00 57.07 2qba n GLN 30 Cb 0.05 -1.50 -0.09 0.00 2.41 0.00 0.00 30.24 31.11 2qba n GLN 30 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2qba n VAL 31 N -1.26 1.05 -0.10 1.69 0.31 -0.02 -3.85 118.33 116.15 2qba n VAL 31 Ca 0.04 -0.43 -0.12 0.00 -0.01 0.00 0.00 64.34 63.82 2qba n VAL 31 Cb 0.06 -1.09 -0.04 0.00 -0.91 0.00 0.00 33.84 31.86 2qba n VAL 31 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 2qba h VAL 32 N 0.00 1.29 -0.22 2.52 -1.51 0.16 -0.65 116.25 117.85 2qba h VAL 32 Ca -0.41 -1.23 -0.07 0.00 -1.23 0.00 0.00 66.70 63.76 2qba h VAL 32 Cb 1.67 1.49 -0.01 0.00 -2.13 0.00 0.00 31.29 32.30 2qba h VAL 32 CO -0.05 0.39 -0.16 0.58 -1.23 0.00 0.00 177.57 177.09 2qba h VAL 33 N 0.34 1.22 -0.30 7.19 2.07 -1.33 0.27 116.25 125.72 2qba h VAL 33 Ca 0.06 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 2qba h VAL 33 Cb 0.66 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2qba h VAL 33 CO 0.04 0.32 -0.09 0.00 0.02 0.00 0.00 177.57 177.86 2qba h ALA 34 N 1.49 1.30 0.00 1.67 0.00 -1.58 -0.43 119.26 121.70 2qba h ALA 34 Ca 0.06 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2qba h ALA 34 Cb 0.49 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2qba h ALA 34 CO 0.03 0.47 -0.43 -0.92 0.00 0.00 0.00 179.25 178.40 2qba h TYR 35 N 0.46 0.00 -0.15 0.00 5.03 0.32 -3.02 116.97 119.61 2qba h TYR 35 Ca 0.09 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.41 2qba h TYR 35 Cb 0.44 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.70 2qba h TYR 35 CO 0.01 0.43 0.06 0.00 -1.32 0.00 0.00 178.16 177.34 2qba h ALA 36 N 1.57 0.16 -3.00 1.82 0.00 0.11 -3.37 119.26 116.56 2qba h ALA 36 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qba h ALA 36 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2qba h ALA 36 CO 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 179.25 178.92 2qba n ALA 37 N -2.18 0.00 0.00 0.00 0.00 -0.76 -3.78 120.51 113.78 2qba n ALA 37 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2qba n ALA 37 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2qba n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qba n GLY 38 N 3.30 0.76 0.05 0.00 0.00 -1.26 -3.97 105.19 104.08 2qba n GLY 38 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2qba n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qba n ALA 39 N 0.00 2.12 -2.10 4.61 0.00 -1.25 -4.76 120.51 119.13 2qba n ALA 39 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 2qba n ALA 39 Cb 0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.00 2qba n ALA 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qba s ARG 40 N -3.08 4.28 -0.14 0.00 1.81 -1.25 -5.01 118.95 115.56 2qba s ARG 40 Ca 0.10 2.16 -0.06 0.00 -1.72 0.00 0.00 55.73 56.21 2qba s ARG 40 Cb 0.14 -3.26 -0.04 0.00 -0.45 0.00 0.00 34.95 31.34 2qba s ARG 40 CO 0.49 -0.51 0.09 -1.14 -0.68 0.00 0.00 175.30 173.56 2qba s GLN 41 N 1.26 3.60 0.00 3.54 0.74 -1.26 -4.78 119.66 122.75 2qba s GLN 41 Ca 0.66 -0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.82 2qba s GLN 41 Cb -0.39 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.58 2qba s GLN 41 CO 0.30 0.56 0.00 0.41 -0.55 0.00 0.00 175.29 176.02 2qba n GLY 42 N 2.65 -1.55 3.02 2.59 0.00 -1.26 -4.94 105.19 105.70 2qba n GLY 42 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 2qba n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qba n THR 43 N 0.00 -8.10 -4.04 2.61 -2.24 -1.26 -4.80 114.28 96.45 2qba n THR 43 Ca 0.00 0.93 -0.27 0.00 -2.27 0.00 0.00 64.05 62.45 2qba n THR 43 Cb 0.00 -5.57 -0.17 0.00 -2.10 0.00 0.00 70.33 62.50 2qba n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2qba s ARG 44 N -1.97 1.60 0.00 -0.78 1.81 -1.26 -4.90 118.95 113.45 2qba s ARG 44 Ca 0.16 -0.30 0.00 0.00 -1.72 0.00 0.00 55.73 53.87 2qba s ARG 44 Cb -0.03 -1.58 0.00 0.00 -0.45 0.00 0.00 34.95 32.89 2qba s ARG 44 CO 0.64 -0.21 0.00 0.00 -0.68 0.00 0.00 175.30 175.06 2qba n ALA 45 N 4.71 0.00 -1.40 2.13 0.00 -1.26 -4.07 120.51 120.62 2qba n ALA 45 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2qba n ALA 45 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2qba n ALA 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qba n GLN 46 N 0.00 -3.93 -3.75 0.00 1.13 -1.26 -4.58 117.38 104.99 2qba n GLN 46 Ca 0.00 2.86 -0.25 0.00 -1.94 0.00 0.00 57.00 57.66 2qba n GLN 46 Cb 0.00 -3.16 -0.17 0.00 0.11 0.00 0.00 30.24 27.02 2qba n GLN 46 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2qba s LYS 47 N -2.91 0.65 1.36 -1.09 1.02 -1.26 -4.75 119.74 112.76 2qba s LYS 47 Ca 0.00 -0.16 -0.21 0.00 0.02 0.00 0.00 55.97 55.62 2qba s LYS 47 Cb 0.00 -1.55 0.34 0.00 -0.52 0.00 0.00 37.83 36.10 2qba s LYS 47 CO 0.00 -0.47 0.78 0.25 -0.92 0.00 0.00 175.35 174.99 2qba n THR 48 N 5.10 0.00 0.85 2.17 -2.24 -1.25 -4.19 114.28 114.71 2qba n THR 48 Ca -0.08 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2qba n THR 48 Cb 0.49 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 2qba n THR 48 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2qba n ARG 49 N -4.94 0.52 -0.00 -0.78 1.85 -1.17 -2.52 116.66 109.61 2qba n ARG 49 Ca 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.95 2qba n ARG 49 Cb 0.55 -1.09 -0.00 0.00 -1.05 0.00 0.00 32.46 30.86 2qba n ARG 49 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qba n ALA 50 N -0.23 2.33 -0.17 2.89 0.00 -1.26 -4.67 120.51 119.39 2qba n ALA 50 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.52 2qba n ALA 50 Cb 0.05 0.48 0.43 0.00 0.00 0.00 0.00 19.45 20.41 2qba n ALA 50 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qba h GLU 51 N -0.01 0.55 -6.24 0.00 4.39 -1.78 -3.43 114.58 108.05 2qba h GLU 51 Ca -0.02 -0.03 -0.67 0.00 0.34 0.00 0.00 59.36 58.98 2qba h GLU 51 Cb 1.03 -0.12 0.09 0.00 -0.10 0.00 0.00 28.75 29.64 2qba h GLU 51 CO -0.01 0.37 0.04 0.28 -1.16 0.00 0.00 179.01 178.53 2qba n VAL 52 N -4.49 1.20 -1.69 3.13 0.31 -1.18 -4.82 118.33 110.78 2qba n VAL 52 Ca 0.13 -0.30 -0.42 0.00 -0.01 0.00 0.00 64.34 63.74 2qba n VAL 52 Cb 0.40 -0.57 -0.00 0.00 -0.91 0.00 0.00 33.84 32.75 2qba n VAL 52 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2qba n THR 53 N 0.96 3.59 -4.54 2.52 -2.24 -1.26 -4.89 114.28 108.42 2qba n THR 53 Ca 0.15 -2.99 -0.26 0.00 -2.27 0.00 0.00 64.05 58.69 2qba n THR 53 Cb 0.24 -2.60 -0.09 0.00 -2.10 0.00 0.00 70.33 65.77 2qba n THR 53 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2qba s GLY 54 N 3.01 2.47 0.28 3.38 0.00 -1.26 -5.15 107.32 110.04 2qba s GLY 54 Ca 0.50 -1.50 -0.11 0.00 0.00 0.00 0.00 44.72 43.61 2qba s GLY 54 CO -0.08 -1.91 0.62 -0.45 0.00 0.00 0.00 173.10 171.27 2qba s SER 55 N -3.62 6.64 0.16 1.64 0.15 -1.26 -4.97 113.70 112.44 2qba s SER 55 Ca 0.27 1.02 0.23 0.00 0.70 0.00 0.00 55.95 58.17 2qba s SER 55 Cb 0.05 -2.27 0.90 0.00 -1.71 0.00 0.00 66.02 63.00 2qba s SER 55 CO 0.13 -0.15 1.71 0.61 1.20 0.00 0.00 173.24 176.74 2qba n GLY 56 N -0.39 -1.37 3.55 9.45 0.00 -1.26 -4.72 105.19 110.45 2qba n GLY 56 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2qba n GLY 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qba n LYS 57 N -2.00 0.38 -4.00 1.61 4.81 -1.26 -4.99 118.16 112.71 2qba n LYS 57 Ca 0.04 0.18 -0.31 0.00 -0.87 0.00 0.00 58.31 57.35 2qba n LYS 57 Cb 0.29 -2.06 -0.15 0.00 0.02 0.00 0.00 35.03 33.13 2qba n LYS 57 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2qba s LYS 58 N -3.14 1.93 -0.74 1.64 3.01 -1.26 -4.45 119.74 116.73 2qba s LYS 58 Ca 0.70 -1.10 -0.24 0.00 -1.01 0.00 0.00 55.97 54.31 2qba s LYS 58 Cb -0.34 -2.68 -0.15 0.00 -1.01 0.00 0.00 37.83 33.65 2qba s LYS 58 CO 0.54 -0.56 2.40 -2.30 0.51 0.00 0.00 175.35 175.95 2qba n PRO 59 N 4.58 0.60 0.00 -1.68 -0.02 -1.26 -4.77 135.00 132.45 2qba n PRO 59 Ca -0.13 -0.49 0.00 0.00 -2.02 0.00 0.00 63.50 60.85 2qba n PRO 59 Cb 0.44 -3.23 0.00 0.00 -0.02 0.00 0.00 33.50 30.68 2qba n PRO 59 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2qba n TRP 60 N 16.19 0.00 0.00 6.00 5.03 -1.26 -4.64 117.44 138.76 2qba n TRP 60 Ca 0.48 0.00 0.00 0.00 3.03 0.00 0.00 57.50 61.01 2qba n TRP 60 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.69 2qba n TRP 60 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 2qba n ARG 61 N 0.00 0.00 0.00 -0.99 5.12 -1.26 -4.97 116.66 114.56 2qba n ARG 61 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2qba n ARG 61 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2qba n ARG 61 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2qba n GLN 62 N -1.98 0.00 -3.79 5.56 7.27 -1.26 -3.64 117.38 119.53 2qba n GLN 62 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.71 2qba n GLN 62 Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 2qba n GLN 62 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2qba s LYS 63 N 0.00 3.73 0.00 3.69 1.02 -1.26 -4.40 119.74 122.52 2qba s LYS 63 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 55.97 55.89 2qba s LYS 63 Cb 0.00 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.04 2qba s LYS 63 CO 0.00 0.61 0.00 0.41 -0.92 0.00 0.00 175.35 175.45 2qba n GLY 64 N 2.47 3.40 3.81 -3.33 0.00 -1.24 -5.08 105.19 105.23 2qba n GLY 64 Ca -0.18 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 2qba n GLY 64 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2qba s THR 65 N -0.01 4.38 0.31 2.61 -1.32 -1.24 -4.99 115.64 115.38 2qba s THR 65 Ca 0.00 1.51 0.08 0.00 -1.21 0.00 0.00 61.69 62.07 2qba s THR 65 Cb 0.00 -3.73 0.04 0.00 -1.51 0.00 0.00 72.50 67.30 2qba s THR 65 CO 0.00 -0.14 1.71 1.23 -2.21 0.00 0.00 174.62 175.21 2qba h GLY 66 N 2.40 0.19 -1.14 6.08 0.00 -1.95 -3.46 103.07 105.20 2qba h GLY 66 Ca -0.48 -0.19 -0.47 0.00 0.00 0.00 0.00 47.33 46.20 2qba h GLY 66 CO 0.63 0.17 0.10 1.09 0.00 0.00 0.00 176.54 178.53 2qba s ARG 67 N -4.10 -0.12 1.00 4.80 1.70 -1.26 -5.01 118.95 115.97 2qba s ARG 67 Ca -0.04 1.03 -0.14 0.00 -0.47 0.00 0.00 55.73 56.12 2qba s ARG 67 Cb 0.13 -1.63 0.19 0.00 -0.57 0.00 0.00 34.95 33.07 2qba s ARG 67 CO 0.76 -3.24 1.12 0.00 -1.08 0.00 0.00 175.30 172.87 2qba s ALA 68 N -2.58 1.23 0.00 7.88 0.00 -1.26 -4.95 121.76 122.08 2qba s ALA 68 Ca 0.67 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2qba s ALA 68 Cb -0.23 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2qba s ALA 68 CO 0.62 -2.77 0.10 0.54 0.00 0.00 0.00 175.76 174.25 2qba n ARG 69 N -4.12 0.00 -2.27 0.00 5.12 -1.26 -4.93 116.66 109.20 2qba n ARG 69 Ca 0.07 0.10 -0.00 0.00 -1.93 0.00 0.00 57.85 56.09 2qba n ARG 69 Cb 0.59 -0.20 -0.00 0.00 -1.16 0.00 0.00 32.46 31.68 2qba n ARG 69 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2qba n SER 70 N -0.55 -9.02 0.00 0.55 3.41 -1.26 -4.71 113.62 102.04 2qba n SER 70 Ca 0.00 1.75 0.00 0.00 -0.26 0.00 0.00 58.87 60.36 2qba n SER 70 Cb 0.00 -4.97 0.00 0.00 -0.26 0.00 0.00 64.21 58.98 2qba n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qba n GLY 71 N 1.72 -0.25 3.64 5.00 0.00 -1.26 -4.66 105.19 109.38 2qba n GLY 71 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2qba n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qba s SER 72 N -0.15 -0.50 0.00 1.61 0.15 -1.26 -4.69 113.70 108.87 2qba s SER 72 Ca 0.00 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2qba s SER 72 Cb 0.00 1.09 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 2qba s SER 72 CO 0.00 -0.14 0.74 0.00 1.20 0.00 0.00 173.24 175.04 2qba n ILE 73 N 3.24 0.66 -0.42 6.45 3.06 -1.26 -1.26 119.36 129.83 2qba n ILE 73 Ca -0.17 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.08 2qba n ILE 73 Cb 0.57 -0.81 0.00 0.00 0.54 0.00 0.00 39.64 39.94 2qba n ILE 73 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2qba n LYS 74 N 0.50 0.66 -1.65 9.51 5.02 -1.26 -4.90 118.16 126.04 2qba n LYS 74 Ca 0.00 -0.11 -0.55 0.00 -2.02 0.00 0.00 58.31 55.63 2qba n LYS 74 Cb 0.37 -0.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.81 2qba n LYS 74 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2qba n SER 75 N -0.13 2.01 -0.00 4.39 7.64 -0.39 -4.28 113.62 122.85 2qba n SER 75 Ca 0.00 1.10 0.21 0.00 1.01 0.00 0.00 58.87 61.19 2qba n SER 75 Cb 0.10 -1.17 0.54 0.00 -1.01 0.00 0.00 64.21 62.68 2qba n SER 75 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2qba h PRO 76 N 5.84 0.00 -0.03 1.43 0.11 -1.90 0.69 132.00 138.14 2qba h PRO 76 Ca -0.47 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 2qba h PRO 76 Cb 1.33 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.44 2qba h PRO 76 CO 0.86 0.00 -0.36 0.82 -0.21 0.00 0.00 178.00 179.11 2qba h ILE 77 N 0.00 1.47 -2.38 4.15 2.04 -1.90 -3.43 117.51 117.47 2qba h ILE 77 Ca 0.29 -1.89 -0.46 0.00 1.00 0.00 0.00 64.86 63.80 2qba h ILE 77 Cb 1.97 2.55 0.23 0.00 -0.74 0.00 0.00 36.82 40.83 2qba h ILE 77 CO -0.00 0.54 -1.09 0.79 0.00 0.00 0.00 178.15 178.38 2qba n TRP 78 N -4.40 -1.44 0.00 1.37 5.03 0.24 -5.02 117.44 113.22 2qba n TRP 78 Ca -0.09 0.16 0.00 0.00 3.03 0.00 0.00 57.50 60.60 2qba n TRP 78 Cb 0.54 -1.58 0.00 0.00 -1.03 0.00 0.00 31.31 29.25 2qba n TRP 78 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 2qba n ARG 79 N -1.89 0.00 -1.51 -0.99 0.63 -1.26 -4.82 116.66 106.81 2qba n ARG 79 Ca 0.01 0.00 -0.50 0.00 -0.92 0.00 0.00 57.85 56.44 2qba n ARG 79 Cb 0.62 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.49 2qba n ARG 79 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2qba n SER 80 N 0.00 0.30 -0.19 6.15 3.41 -1.26 -4.58 113.62 117.45 2qba n SER 80 Ca 0.00 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 2qba n SER 80 Cb 0.00 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 2qba n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qba n GLY 81 N 1.82 -3.46 0.00 5.00 0.00 -1.26 -4.80 105.19 102.48 2qba n GLY 81 Ca 0.16 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2qba n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qba n GLY 82 N -0.32 -0.67 2.46 -0.02 0.00 -1.26 -4.64 105.19 100.74 2qba n GLY 82 Ca 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 46.02 46.46 2qba n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qba n VAL 83 N 0.00 -9.78 -0.21 1.61 0.31 -1.26 -3.06 118.33 105.93 2qba n VAL 83 Ca 0.00 1.36 -0.03 0.00 -0.01 0.00 0.00 64.34 65.65 2qba n VAL 83 Cb 0.00 -6.34 0.03 0.00 -0.91 0.00 0.00 33.84 26.62 2qba n VAL 83 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2qba h THR 84 N 2.28 0.21 -3.08 2.52 2.02 -1.90 -3.20 112.91 111.77 2qba h THR 84 Ca 0.00 0.00 -0.62 0.00 0.77 0.00 0.00 66.41 66.56 2qba h THR 84 Cb 0.10 0.21 -0.42 0.00 -1.74 0.00 0.00 68.15 66.30 2qba h THR 84 CO 0.09 0.00 -0.60 -0.36 0.37 0.00 0.00 175.52 175.02 2qba s PHE 85 N -6.07 3.42 -0.66 3.16 0.08 -1.26 -4.83 117.98 111.82 2qba s PHE 85 Ca -0.14 -3.28 -0.26 0.00 0.12 0.00 0.00 56.93 53.37 2qba s PHE 85 Cb 0.17 -2.63 -0.11 0.00 -0.57 0.00 0.00 43.02 39.88 2qba s PHE 85 CO 0.71 -0.57 2.40 0.00 -0.10 0.00 0.00 175.22 177.65 2qba s ALA 86 N -1.29 1.12 0.81 5.36 0.00 -1.21 -4.91 121.76 121.65 2qba s ALA 86 Ca 0.24 -0.45 -0.15 0.00 0.00 0.00 0.00 51.96 51.60 2qba s ALA 86 Cb -0.06 -4.47 -0.04 0.00 0.00 0.00 0.00 23.12 18.55 2qba s ALA 86 CO -0.15 -5.26 0.28 0.00 0.00 0.00 0.00 175.76 170.63 2qba n ALA 87 N 17.38 -2.45 -2.25 0.00 0.00 -1.26 -4.81 120.51 127.12 2qba n ALA 87 Ca 0.42 -0.40 -0.07 0.00 0.00 0.00 0.00 53.44 53.39 2qba n ALA 87 Cb 0.48 -1.72 -0.10 0.00 0.00 0.00 0.00 19.45 18.12 2qba n ALA 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qba s ARG 88 N -2.83 0.59 -0.33 0.00 1.81 -1.26 -4.34 118.95 112.59 2qba s ARG 88 Ca 0.59 -1.11 -0.43 0.00 -1.72 0.00 0.00 55.73 53.06 2qba s ARG 88 Cb -0.29 0.21 -0.18 0.00 -0.45 0.00 0.00 34.95 34.23 2qba s ARG 88 CO 0.65 -0.11 1.60 -2.30 -0.68 0.00 0.00 175.30 174.45 2qba n PRO 89 N 0.31 0.52 -4.30 3.54 -0.02 -1.26 -4.72 135.00 129.06 2qba n PRO 89 Ca -0.15 0.19 -0.28 0.00 -2.02 0.00 0.00 63.50 61.23 2qba n PRO 89 Cb 0.60 -1.77 -0.06 0.00 -0.02 0.00 0.00 33.50 32.26 2qba n PRO 89 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2qba s GLN 90 N 2.80 2.21 -0.42 -0.52 -0.21 -1.26 -4.91 119.66 117.34 2qba s GLN 90 Ca 1.00 -2.11 0.02 0.00 0.02 0.00 0.00 55.36 54.29 2qba s GLN 90 Cb -1.28 -1.84 0.14 0.00 1.00 0.00 0.00 33.01 31.03 2qba s GLN 90 CO 0.71 -0.35 0.25 0.34 -2.12 0.00 0.00 175.29 174.12 2qba s ASP 91 N -4.00 3.39 0.00 5.90 2.15 -1.26 -4.02 116.67 118.83 2qba s ASP 91 Ca 0.26 -2.58 0.13 0.00 0.43 0.00 0.00 52.55 50.79 2qba s ASP 91 Cb 0.02 -0.86 0.77 0.00 -0.30 0.00 0.00 42.92 42.55 2qba s ASP 91 CO 0.15 -0.27 1.25 1.41 -0.17 0.00 0.00 175.17 177.54 2qba n HIS 92 N 3.58 0.00 -1.41 -5.34 8.25 -1.26 -4.83 115.22 114.20 2qba n HIS 92 Ca 0.11 0.00 -0.56 0.00 -0.26 0.00 0.00 57.72 57.01 2qba n HIS 92 Cb 0.36 -0.06 -0.09 0.00 1.12 0.00 0.00 29.99 31.32 2qba n HIS 92 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2qba n SER 93 N -1.06 1.58 -4.62 0.41 7.64 -1.26 -4.37 113.62 111.93 2qba n SER 93 Ca 0.09 0.63 -0.25 0.00 1.01 0.00 0.00 58.87 60.35 2qba n SER 93 Cb 0.06 -1.09 0.11 0.00 -1.01 0.00 0.00 64.21 62.28 2qba n SER 93 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2qba s GLN 94 N 5.66 1.61 0.00 1.43 -0.21 -1.26 -4.97 119.66 121.91 2qba s GLN 94 Ca 1.12 -0.71 0.00 0.00 0.02 0.00 0.00 55.36 55.79 2qba s GLN 94 Cb -1.17 -2.19 0.00 0.00 1.00 0.00 0.00 33.01 30.66 2qba s GLN 94 CO 0.59 -1.58 0.00 1.17 -2.12 0.00 0.00 175.29 173.35 2qba n LYS 95 N -3.05 0.00 -2.14 2.91 0.00 -1.26 -5.03 118.16 109.59 2qba n LYS 95 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.42 2qba n LYS 95 Cb 0.60 -0.22 -0.02 0.00 0.00 0.00 0.00 35.03 35.39 2qba n LYS 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qba n VAL 96 N -0.62 -8.39 -1.28 3.15 0.31 -1.26 -4.96 118.33 105.28 2qba n VAL 96 Ca 0.00 1.43 -0.35 0.00 -0.01 0.00 0.00 64.34 65.40 2qba n VAL 96 Cb 0.00 -5.40 0.09 0.00 -0.91 0.00 0.00 33.84 27.62 2qba n VAL 96 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2qba n ASN 97 N 0.79 0.12 0.24 4.52 3.02 -1.26 -4.77 115.26 117.92 2qba n ASN 97 Ca -0.17 0.63 0.13 0.00 -0.03 0.00 0.00 54.58 55.14 2qba n ASN 97 Cb 0.26 -1.38 0.76 0.00 -0.61 0.00 0.00 39.78 38.81 2qba n ASN 97 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2qba h LYS 98 N -0.42 0.00 0.18 3.52 1.57 -2.00 -1.20 116.57 118.22 2qba h LYS 98 Ca -0.47 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.00 2qba h LYS 98 Cb 1.33 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.65 2qba h LYS 98 CO 0.45 0.00 -1.47 0.87 -0.57 0.00 0.00 179.45 178.73 2qba h LYS 99 N 0.00 0.39 0.00 3.15 1.57 -2.00 -2.86 116.57 116.82 2qba h LYS 99 Ca 0.03 -0.66 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 2qba h LYS 99 Cb 0.15 0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2qba h LYS 99 CO -0.00 1.30 0.00 0.52 -0.57 0.00 0.00 179.45 180.69 2qba h MET 100 N 0.11 0.00 0.02 3.15 2.86 -1.73 0.06 114.93 119.41 2qba h MET 100 Ca -0.23 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2qba h MET 100 Cb 2.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.74 2qba h MET 100 CO 0.22 0.00 -0.01 -0.92 1.06 0.00 0.00 176.91 177.26 2qba h TYR 101 N 0.00 -0.03 -0.37 -0.22 3.20 -1.26 -2.57 116.97 115.73 2qba h TYR 101 Ca 0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2qba h TYR 101 Cb 0.49 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 2qba h TYR 101 CO 0.00 0.44 0.08 0.00 -1.64 0.00 0.00 178.16 177.04 2qba h ARG 102 N -0.99 0.55 -0.71 1.82 3.08 -1.44 0.23 114.38 116.93 2qba h ARG 102 Ca -0.00 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2qba h ARG 102 Cb 0.48 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 2qba h ARG 102 CO 0.01 0.52 0.42 0.78 -1.07 0.00 0.00 179.97 180.62 2qba h GLY 103 N 0.78 1.03 0.53 0.04 0.00 -1.07 -2.85 103.07 101.54 2qba h GLY 103 Ca 0.12 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 2qba h GLY 103 CO -0.00 0.42 -0.00 0.00 0.00 0.00 0.00 176.54 176.96 2qba h ALA 104 N 1.22 0.01 0.00 3.60 0.00 -0.88 -2.89 119.26 120.32 2qba h ALA 104 Ca 0.25 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2qba h ALA 104 Cb -0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2qba h ALA 104 CO -0.05 -0.25 0.30 1.28 0.00 0.00 0.00 179.25 180.53 2qba n LEU 105 N -4.85 2.97 0.20 0.00 4.77 0.73 -1.73 117.00 119.09 2qba n LEU 105 Ca -0.08 -2.01 0.00 0.00 -0.03 0.00 0.00 56.01 53.89 2qba n LEU 105 Cb 0.25 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 2qba n LEU 105 CO 0.34 0.64 0.00 0.29 -1.33 0.00 0.00 177.39 177.33 2qba n LYS 106 N 2.90 0.00 0.19 3.23 5.02 -1.22 -4.71 118.16 123.57 2qba n LYS 106 Ca 0.25 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.67 2qba n LYS 106 Cb 0.45 0.00 0.68 0.00 -0.02 0.00 0.00 35.03 36.14 2qba n LYS 106 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2qba h SER 107 N 0.00 0.00 0.16 4.39 0.87 -1.26 1.85 113.55 119.56 2qba h SER 107 Ca 0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 2qba h SER 107 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2qba h SER 107 CO 0.00 0.00 -1.92 0.00 -0.53 0.00 0.00 176.83 174.38 2qba n ILE 108 N -2.43 0.39 -0.08 2.23 0.00 -0.71 -3.55 119.36 115.20 2qba n ILE 108 Ca -0.01 -0.58 -0.12 0.00 0.00 0.00 0.00 62.75 62.04 2qba n ILE 108 Cb 0.09 -0.16 -0.07 0.00 0.00 0.00 0.00 39.64 39.50 2qba n ILE 108 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2qba h LEU 109 N 0.00 0.00 -1.01 9.51 5.85 -0.18 -3.17 115.31 126.31 2qba h LEU 109 Ca -0.11 -0.32 0.13 0.00 0.84 0.00 0.00 57.88 58.42 2qba h LEU 109 Cb 1.25 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.20 2qba h LEU 109 CO 0.01 1.05 0.63 0.28 -0.34 0.00 0.00 178.44 180.07 2qba h SER 110 N -1.00 0.92 -0.50 1.25 0.02 0.23 0.14 113.55 114.61 2qba h SER 110 Ca -0.14 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2qba h SER 110 Cb 0.82 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.19 2qba h SER 110 CO -0.08 0.48 0.26 -0.08 -1.14 0.00 0.00 176.83 176.26 2qba h GLU 111 N 0.98 0.49 -0.11 3.45 4.22 -1.70 0.26 114.58 122.18 2qba h GLU 111 Ca 0.51 -0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.95 2qba h GLU 111 Cb 0.52 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2qba h GLU 111 CO -0.28 0.33 -0.14 -0.07 -2.18 0.00 0.00 179.01 176.67 2qba h LEU 112 N 0.51 -0.43 0.25 1.64 3.38 -0.74 0.66 115.31 120.59 2qba h LEU 112 Ca 0.22 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.27 2qba h LEU 112 Cb 0.12 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2qba h LEU 112 CO -0.15 -0.19 -0.34 0.58 0.09 0.00 0.00 178.44 178.44 2qba h VAL 113 N -0.18 0.30 -0.99 1.22 2.07 -0.48 -0.52 116.25 117.67 2qba h VAL 113 Ca 0.08 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.73 2qba h VAL 113 Cb 0.30 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.29 2qba h VAL 113 CO -0.21 0.00 0.62 0.03 0.02 0.00 0.00 177.57 178.03 2qba h ARG 114 N -0.65 0.91 -0.42 1.57 3.08 -0.10 0.56 114.38 119.33 2qba h ARG 114 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2qba h ARG 114 Cb 0.62 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2qba h ARG 114 CO -0.11 0.60 0.00 0.94 -1.07 0.00 0.00 179.97 180.33 2qba n GLN 115 N -4.62 1.30 -3.48 0.04 7.27 0.23 -4.92 117.38 113.20 2qba n GLN 115 Ca 0.19 -0.33 -0.26 0.00 0.07 0.00 0.00 57.00 56.66 2qba n GLN 115 Cb 0.38 -1.27 0.02 0.00 2.41 0.00 0.00 30.24 31.78 2qba n GLN 115 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2qba n ASP 116 N -0.12 -5.81 0.00 1.69 9.92 0.20 -4.92 116.55 117.51 2qba n ASP 116 Ca 0.03 -0.36 0.00 0.00 -0.53 0.00 0.00 54.79 53.93 2qba n ASP 116 Cb 0.18 -2.50 0.00 0.00 -0.64 0.00 0.00 41.12 38.17 2qba n ASP 116 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2qba n ARG 117 N -1.24 0.00 -3.42 -1.24 1.74 -0.59 -4.97 116.66 106.94 2qba n ARG 117 Ca -0.14 -0.19 -0.39 0.00 -0.77 0.00 0.00 57.85 56.36 2qba n ARG 117 Cb 0.64 -0.34 -0.03 0.00 -1.02 0.00 0.00 32.46 31.71 2qba n ARG 117 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2qba n LEU 118 N 0.00 4.94 -4.58 0.55 0.00 -1.26 -1.35 117.00 115.31 2qba n LEU 118 Ca 0.00 -5.15 -0.37 0.00 0.00 0.00 0.00 56.01 50.49 2qba n LEU 118 Cb 0.39 -1.20 -0.03 0.00 0.00 0.00 0.00 43.42 42.59 2qba n LEU 118 CO 0.00 1.58 1.70 -0.63 0.00 0.00 0.00 177.39 180.04 2qba s ILE 119 N -1.73 3.85 0.06 1.96 -1.09 0.11 -4.96 121.20 119.41 2qba s ILE 119 Ca 0.30 -1.30 -0.28 0.00 -2.23 0.00 0.00 60.65 57.15 2qba s ILE 119 Cb -0.04 -4.88 -0.05 0.00 -1.58 0.00 0.00 42.46 35.92 2qba s ILE 119 CO -0.06 -1.60 0.88 0.54 -1.23 0.00 0.00 174.94 173.47 2qba s VAL 120 N 6.97 4.66 0.06 2.92 0.11 -1.11 -4.02 120.40 130.00 2qba s VAL 120 Ca 0.59 1.88 0.02 0.00 -2.93 0.00 0.00 61.98 61.54 2qba s VAL 120 Cb 0.01 -4.24 -0.03 0.00 -1.53 0.00 0.00 36.38 30.59 2qba s VAL 120 CO 0.06 0.31 -0.07 0.68 -3.33 0.00 0.00 175.10 172.75 2qba s VAL 121 N 0.16 0.57 -0.68 2.04 -7.23 -1.17 -3.97 120.40 110.13 2qba s VAL 121 Ca 0.44 -1.44 -0.27 0.00 -1.81 0.00 0.00 61.98 58.91 2qba s VAL 121 Cb -0.22 -1.05 0.01 0.00 0.56 0.00 0.00 36.38 35.68 2qba s VAL 121 CO 0.27 -0.61 1.56 -1.61 -0.31 0.00 0.00 175.10 174.40 2qba s GLU 122 N -2.55 2.91 0.31 4.82 8.01 -1.26 -3.21 118.70 127.73 2qba s GLU 122 Ca -0.01 0.17 0.00 0.00 0.01 0.00 0.00 54.97 55.14 2qba s GLU 122 Cb -0.03 -4.28 0.00 0.00 -4.31 0.00 0.00 34.13 25.50 2qba s GLU 122 CO -0.02 -2.44 0.00 1.63 0.01 0.00 0.00 175.26 174.44 2qba n LYS 123 N 9.29 -2.57 -3.70 1.61 5.02 -1.26 -4.98 118.16 121.57 2qba n LYS 123 Ca 0.11 1.93 -0.11 0.00 -2.02 0.00 0.00 58.31 58.22 2qba n LYS 123 Cb 0.50 -2.24 -0.12 0.00 -0.02 0.00 0.00 35.03 33.16 2qba n LYS 123 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2qba s PHE 124 N -3.39 -0.48 0.07 2.13 2.19 -1.26 -5.03 117.98 112.21 2qba s PHE 124 Ca 0.00 1.06 -0.26 0.00 0.33 0.00 0.00 56.93 58.05 2qba s PHE 124 Cb 0.00 0.14 0.08 0.00 -1.31 0.00 0.00 43.02 41.94 2qba s PHE 124 CO 0.00 -0.31 0.83 0.45 1.83 0.00 0.00 175.22 178.02 2qba s SER 125 N 1.52 -0.37 0.12 6.13 0.15 -1.26 -5.00 113.70 114.99 2qba s SER 125 Ca -0.08 -0.10 0.08 0.00 0.70 0.00 0.00 55.95 56.55 2qba s SER 125 Cb -0.10 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.64 2qba s SER 125 CO -0.11 -0.78 -0.12 0.54 1.20 0.00 0.00 173.24 173.98 2qba s VAL 126 N -3.33 3.22 0.00 4.45 0.11 -1.26 -5.06 120.40 118.54 2qba s VAL 126 Ca 0.06 -1.39 -0.07 0.00 -2.93 0.00 0.00 61.98 57.65 2qba s VAL 126 Cb -0.01 -2.52 -0.04 0.00 -1.53 0.00 0.00 36.38 32.28 2qba s VAL 126 CO -0.07 0.07 0.74 -0.33 -3.33 0.00 0.00 175.10 172.18 2qba h GLU 127 N 3.50 -0.23 -6.73 1.54 4.39 -1.97 -3.45 114.58 111.62 2qba h GLU 127 Ca -0.49 0.02 -0.67 0.00 0.34 0.00 0.00 59.36 58.56 2qba h GLU 127 Cb 1.17 0.05 -0.19 0.00 -0.10 0.00 0.00 28.75 29.69 2qba h GLU 127 CO 0.51 -0.16 -0.81 0.00 -1.16 0.00 0.00 179.01 177.39 2qba s ALA 128 N -3.48 2.61 -0.56 3.43 0.00 -1.26 -5.03 121.76 117.47 2qba s ALA 128 Ca -0.04 -1.43 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 2qba s ALA 128 Cb 0.00 -0.55 -0.31 0.00 0.00 0.00 0.00 23.12 22.26 2qba s ALA 128 CO 0.11 0.55 1.86 -2.30 0.00 0.00 0.00 175.76 175.98 2qba n PRO 129 N 0.69 0.05 -3.76 0.00 -0.02 -1.23 -4.81 135.00 125.92 2qba n PRO 129 Ca -0.15 -1.37 -0.21 0.00 -2.02 0.00 0.00 63.50 59.75 2qba n PRO 129 Cb 0.53 -3.25 -0.17 0.00 -0.02 0.00 0.00 33.50 30.59 2qba n PRO 129 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2qba s LYS 130 N 7.81 0.29 0.00 -0.52 -0.14 -1.26 -4.85 119.74 121.07 2qba s LYS 130 Ca 0.76 0.21 0.00 0.00 -1.36 0.00 0.00 55.97 55.57 2qba s LYS 130 Cb 0.05 -0.71 0.00 0.00 -1.68 0.00 0.00 37.83 35.49 2qba s LYS 130 CO 0.27 -0.28 1.38 0.25 -0.76 0.00 0.00 175.35 176.21 2qba n THR 131 N 5.03 1.38 0.00 2.17 -2.24 -1.26 -2.59 114.28 116.77 2qba n THR 131 Ca -0.09 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2qba n THR 131 Cb 0.50 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 2qba n THR 131 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2qba n LYS 132 N 1.40 0.00 0.01 -0.78 4.81 -1.26 -4.29 118.16 118.04 2qba n LYS 132 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 2qba n LYS 132 Cb 0.39 -0.51 -0.05 0.00 0.02 0.00 0.00 35.03 34.88 2qba n LYS 132 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2qba h LEU 133 N 0.00 0.01 -1.02 3.14 3.38 -1.83 0.21 115.31 119.20 2qba h LEU 133 Ca 0.00 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2qba h LEU 133 Cb 0.73 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2qba h LEU 133 CO 0.00 0.02 0.01 0.25 0.09 0.00 0.00 178.44 178.81 2qba h LEU 134 N 0.05 0.67 -1.82 1.67 5.85 -1.86 0.35 115.31 120.22 2qba h LEU 134 Ca 0.03 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 2qba h LEU 134 Cb 0.02 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 2qba h LEU 134 CO -0.04 0.74 -0.01 0.00 -0.34 0.00 0.00 178.44 178.79 2qba h ALA 135 N 1.34 1.86 0.08 1.25 0.00 -1.45 -1.65 119.26 120.69 2qba h ALA 135 Ca 0.14 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2qba h ALA 135 Cb 0.41 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2qba h ALA 135 CO 0.02 0.11 -0.60 0.37 0.00 0.00 0.00 179.25 179.15 2qba h GLN 136 N 0.10 0.16 -1.10 0.00 5.75 0.69 -3.30 115.11 117.42 2qba h GLN 136 Ca 0.02 -0.28 0.34 0.00 -0.15 0.00 0.00 58.65 58.59 2qba h GLN 136 Cb 0.08 0.10 -0.13 0.00 1.07 0.00 0.00 27.48 28.61 2qba h GLN 136 CO 0.00 1.13 0.67 -0.22 -2.65 0.00 0.00 178.83 177.77 2qba h LYS 137 N -0.64 0.26 1.00 1.69 1.63 0.27 0.20 116.57 120.99 2qba h LYS 137 Ca -0.12 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.62 2qba h LYS 137 Cb 1.40 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 32.98 2qba h LYS 137 CO 0.06 0.17 -0.48 -0.07 -3.45 0.00 0.00 179.45 175.69 2qba h LEU 138 N 0.27 -1.14 -1.26 5.20 3.38 -1.40 -0.91 115.31 119.45 2qba h LEU 138 Ca 0.73 0.04 0.24 0.00 0.09 0.00 0.00 57.88 58.98 2qba h LEU 138 Cb 1.90 0.30 -0.10 0.00 0.09 0.00 0.00 40.66 42.85 2qba h LEU 138 CO -0.49 -0.81 0.64 0.50 0.09 0.00 0.00 178.44 178.36 2qba h LYS 139 N -1.34 0.49 0.00 1.13 3.64 -0.77 2.11 116.57 121.84 2qba h LYS 139 Ca -0.14 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.16 2qba h LYS 139 Cb 1.03 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 2qba h LYS 139 CO 0.22 0.33 -0.26 -0.44 -2.27 0.00 0.00 179.45 177.03 2qba h ASP 140 N 0.51 0.00 -0.19 4.20 3.45 -0.66 -2.80 116.42 120.92 2qba h ASP 140 Ca 0.58 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.04 2qba h ASP 140 Cb 1.28 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.05 2qba h ASP 140 CO -0.32 0.26 0.00 0.23 -1.57 0.00 0.00 179.24 177.84 2qba n MET 141 N -3.54 2.50 -3.07 3.56 2.81 0.22 -4.98 117.12 114.62 2qba n MET 141 Ca -0.01 -1.72 -0.18 0.00 -1.81 0.00 0.00 57.70 53.98 2qba n MET 141 Cb 0.41 -1.17 -0.01 0.00 -0.71 0.00 0.00 33.22 31.75 2qba n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2qba n ALA 142 N 0.18 -0.99 -3.61 3.04 0.00 0.66 -4.92 120.51 114.87 2qba n ALA 142 Ca 0.07 0.06 -0.35 0.00 0.00 0.00 0.00 53.44 53.22 2qba n ALA 142 Cb 0.34 -2.13 -0.14 0.00 0.00 0.00 0.00 19.45 17.52 2qba n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qba s LEU 143 N -6.10 3.34 0.07 0.00 1.43 -0.63 -4.97 118.68 111.81 2qba s LEU 143 Ca 0.27 -0.85 0.09 0.00 -1.03 0.00 0.00 54.13 52.61 2qba s LEU 143 Cb -0.14 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 2qba s LEU 143 CO 0.33 -0.14 -0.25 -1.83 0.23 0.00 0.00 176.35 174.68 2qba s GLU 144 N 1.36 1.59 -0.74 1.70 -1.05 -1.26 -4.60 118.70 115.70 2qba s GLU 144 Ca 0.00 -1.13 -0.00 0.00 -0.15 0.00 0.00 54.97 53.69 2qba s GLU 144 Cb -0.17 -1.83 0.00 0.00 -0.44 0.00 0.00 34.13 31.69 2qba s GLU 144 CO -0.03 0.46 0.70 -3.47 0.95 0.00 0.00 175.26 173.87 2qba n ASP 145 N 1.57 -7.70 -4.41 0.83 2.03 -1.13 -4.77 116.55 102.96 2qba n ASP 145 Ca -0.17 -0.10 -0.21 0.00 0.52 0.00 0.00 54.79 54.83 2qba n ASP 145 Cb 0.52 -5.18 -0.10 0.00 -0.72 0.00 0.00 41.12 35.64 2qba n ASP 145 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2qba s VAL 146 N -2.99 1.99 -0.13 5.18 1.01 -1.19 -3.02 120.40 121.25 2qba s VAL 146 Ca 0.00 -2.26 -0.20 0.00 0.00 0.00 0.00 61.98 59.52 2qba s VAL 146 Cb -0.00 -2.24 -0.26 0.00 0.00 0.00 0.00 36.38 33.88 2qba s VAL 146 CO 0.76 -0.45 0.56 0.25 0.00 0.00 0.00 175.10 176.22 2qba h LEU 147 N 2.38 0.23 -0.67 3.92 7.12 -0.92 -3.29 115.31 124.07 2qba h LEU 147 Ca -0.39 -0.82 -0.36 0.00 0.13 0.00 0.00 57.88 56.44 2qba h LEU 147 Cb 1.24 -0.07 0.12 0.00 -0.53 0.00 0.00 40.66 41.41 2qba h LEU 147 CO 0.63 1.44 -0.61 -0.38 -0.13 0.00 0.00 178.44 179.39 2qba n ILE 148 N -4.20 -2.62 -1.75 4.05 2.08 -1.26 -3.67 119.36 111.99 2qba n ILE 148 Ca -0.22 0.00 -0.36 0.00 0.56 0.00 0.00 62.75 62.73 2qba n ILE 148 Cb 0.76 -3.71 -0.03 0.00 -0.75 0.00 0.00 39.64 35.90 2qba n ILE 148 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 2qba s ILE 149 N -3.27 3.14 0.00 1.39 2.07 -1.26 -3.81 121.20 119.46 2qba s ILE 149 Ca 0.51 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.81 2qba s ILE 149 Cb -0.22 -3.38 0.00 0.00 0.13 0.00 0.00 42.46 38.99 2qba s ILE 149 CO 0.63 -0.36 0.00 1.07 -1.91 0.00 0.00 174.94 174.36 2qba n THR 150 N 7.74 0.00 -0.03 4.00 5.66 0.43 -3.31 114.28 128.77 2qba n THR 150 Ca 0.31 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 61.26 2qba n THR 150 Cb 0.53 -0.47 -0.02 0.00 -1.55 0.00 0.00 70.33 68.82 2qba n THR 150 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qba n GLY 151 N 1.37 -0.09 0.00 1.09 0.00 -1.26 -3.81 105.19 102.49 2qba n GLY 151 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2qba n GLY 151 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qba n GLU 152 N -3.09 0.34 -1.42 1.61 4.07 -1.26 -4.03 120.64 116.86 2qba n GLU 152 Ca -0.11 -0.58 0.16 0.00 -0.06 0.00 0.00 57.16 56.57 2qba n GLU 152 Cb 0.59 -0.76 -0.09 0.00 -0.06 0.00 0.00 31.44 31.11 2qba n GLU 152 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2qba n LEU 153 N -0.11 -1.05 -3.16 4.31 7.94 -1.26 -5.04 117.00 118.63 2qba n LEU 153 Ca 0.00 2.40 0.05 0.00 -1.11 0.00 0.00 56.01 57.35 2qba n LEU 153 Cb 0.22 -2.97 -0.02 0.00 0.53 0.00 0.00 43.42 41.18 2qba n LEU 153 CO 0.00 -2.02 0.50 1.51 -1.11 0.00 0.00 177.39 176.27 2qba s ASP 154 N -7.10 -0.67 0.58 1.96 1.47 -1.26 -5.01 116.67 106.64 2qba s ASP 154 Ca 0.00 0.45 0.17 0.00 1.18 0.00 0.00 52.55 54.35 2qba s ASP 154 Cb 0.00 1.57 0.94 0.00 -0.34 0.00 0.00 42.92 45.09 2qba s ASP 154 CO 0.00 -0.12 1.49 -0.33 0.68 0.00 0.00 175.17 176.89 2qba h GLU 155 N 7.97 0.00 -0.04 2.11 4.39 -1.96 0.69 114.58 127.74 2qba h GLU 155 Ca -0.16 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.56 2qba h GLU 155 Cb 1.17 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2qba h GLU 155 CO -0.01 0.00 0.03 -0.97 -1.16 0.00 0.00 179.01 176.90 2qba h ASN 156 N 0.00 0.00 0.00 1.42 -1.24 -1.96 0.69 115.58 114.50 2qba h ASN 156 Ca 0.00 0.00 -0.24 0.00 0.71 0.00 0.00 56.30 56.77 2qba h ASN 156 Cb 1.05 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.05 2qba h ASN 156 CO 0.00 0.00 -1.92 -0.11 -1.29 0.00 0.00 177.43 174.11 2qba n LEU 157 N -4.52 2.15 -0.02 0.34 7.94 0.22 -3.54 117.00 119.57 2qba n LEU 157 Ca -0.02 -0.06 0.09 0.00 -1.11 0.00 0.00 56.01 54.90 2qba n LEU 157 Cb 0.13 -0.33 0.49 0.00 0.53 0.00 0.00 43.42 44.24 2qba n LEU 157 CO 0.34 0.65 1.17 0.15 -1.11 0.00 0.00 177.39 178.59 2qba h PHE 158 N 0.00 0.42 -0.34 1.96 3.04 -0.75 0.52 116.94 121.79 2qba h PHE 158 Ca -0.36 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.58 2qba h PHE 158 Cb 1.63 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 39.99 2qba h PHE 158 CO 0.01 0.23 0.13 -0.07 -2.02 0.00 0.00 178.31 176.59 2qba h LEU 159 N 0.42 0.44-10.76 0.59 4.07 0.18 -3.38 115.31 106.86 2qba h LEU 159 Ca 0.20 -0.04 -0.45 0.00 0.08 0.00 0.00 57.88 57.66 2qba h LEU 159 Cb 0.26 -0.11 0.13 0.00 1.08 0.00 0.00 40.66 42.02 2qba h LEU 159 CO -0.05 0.41 0.32 0.00 -1.08 0.00 0.00 178.44 178.04 2qba s ALA 160 N -5.22 2.76 0.00 1.53 0.00 0.18 -3.85 121.76 117.16 2qba s ALA 160 Ca -0.08 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.57 2qba s ALA 160 Cb 0.16 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.74 2qba s ALA 160 CO 0.74 -2.04 0.00 0.00 0.00 0.00 0.00 175.76 174.46 2qba n ALA 161 N -3.41 0.00 -0.93 0.00 0.00 -1.26 -4.82 120.51 110.10 2qba n ALA 161 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2qba n ALA 161 Cb 0.60 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2qba n ALA 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qba n ARG 162 N -2.00 0.00 -0.34 0.00 1.74 -1.25 -3.71 116.66 111.10 2qba n ARG 162 Ca 0.00 0.04 0.19 0.00 -0.77 0.00 0.00 57.85 57.31 2qba n ARG 162 Cb 0.00 -0.80 0.41 0.00 -1.02 0.00 0.00 32.46 31.05 2qba n ARG 162 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2qba h ASN 163 N 0.00 0.58 -2.05 0.55 2.35 -1.87 -3.36 115.58 111.78 2qba h ASN 163 Ca 0.00 0.16 -0.59 0.00 -0.55 0.00 0.00 56.30 55.32 2qba h ASN 163 Cb 0.00 0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 2qba h ASN 163 CO 0.00 0.01 1.47 -0.76 -1.65 0.00 0.00 177.43 176.50 2qba s LEU 164 N -10.39 3.47 0.00 1.61 1.43 -1.24 -4.92 118.68 108.64 2qba s LEU 164 Ca -0.11 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 2qba s LEU 164 Cb 0.28 -3.51 0.00 0.00 0.03 0.00 0.00 46.19 42.99 2qba s LEU 164 CO 0.79 -1.92 0.00 1.57 0.23 0.00 0.00 176.35 177.02 2qba n HIS 165 N 11.49 0.00 -1.27 0.29 -0.00 -1.26 -4.09 115.22 120.38 2qba n HIS 165 Ca 0.29 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.81 2qba n HIS 165 Cb 0.45 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.33 2qba n HIS 165 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2qba n LYS 166 N 0.00 0.06 0.00 1.57 4.76 -1.26 -4.66 118.16 118.63 2qba n LYS 166 Ca 0.00 -1.40 0.00 0.00 -2.87 0.00 0.00 58.31 54.04 2qba n LYS 166 Cb 0.00 -3.36 0.00 0.00 -1.84 0.00 0.00 35.03 29.83 2qba n LYS 166 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2qba n VAL 167 N 8.22 0.00 -3.43 -0.18 3.14 -1.25 -2.86 118.33 121.96 2qba n VAL 167 Ca 0.39 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.61 2qba n VAL 167 Cb 0.46 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.13 2qba n VAL 167 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2qba s ASP 168 N 0.00 1.27 -0.86 6.55 3.68 -1.24 -4.66 116.67 121.41 2qba s ASP 168 Ca 0.00 -0.32 -0.25 0.00 2.13 0.00 0.00 52.55 54.11 2qba s ASP 168 Cb 0.00 0.56 -0.04 0.00 -1.45 0.00 0.00 42.92 41.99 2qba s ASP 168 CO 0.00 -0.34 1.94 0.68 0.13 0.00 0.00 175.17 177.57 2qba s VAL 169 N 2.38 3.43 0.27 1.11 -7.23 -1.24 -4.46 120.40 114.66 2qba s VAL 169 Ca 0.09 -0.29 -0.08 0.00 -1.81 0.00 0.00 61.98 59.89 2qba s VAL 169 Cb -0.15 -3.99 -0.06 0.00 0.56 0.00 0.00 36.38 32.73 2qba s VAL 169 CO -0.20 -0.94 0.58 -0.13 -0.31 0.00 0.00 175.10 174.10 2qba s ARG 170 N 7.02 3.74 0.83 4.82 3.00 -1.25 -4.82 118.95 132.30 2qba s ARG 170 Ca 0.70 0.21 -0.12 0.00 0.00 0.00 0.00 55.73 56.52 2qba s ARG 170 Cb -0.08 -2.61 0.09 0.00 0.00 0.00 0.00 34.95 32.36 2qba s ARG 170 CO 0.02 0.24 1.18 0.34 0.00 0.00 0.00 175.30 177.08 2qba s ASP 171 N -2.73 4.31 0.16 0.23 2.15 -1.26 -0.43 116.67 119.09 2qba s ASP 171 Ca 0.47 0.78 -0.16 0.00 0.43 0.00 0.00 52.55 54.07 2qba s ASP 171 Cb -0.11 -1.26 0.04 0.00 -0.30 0.00 0.00 42.92 41.30 2qba s ASP 171 CO 0.25 -2.03 1.80 0.00 -0.17 0.00 0.00 175.17 175.02 2qba h ALA 172 N -1.14 0.52 0.00 3.66 0.00 -1.70 -1.66 119.26 118.93 2qba h ALA 172 Ca -0.46 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 2qba h ALA 172 Cb 1.33 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2qba h ALA 172 CO 0.64 -0.09 -0.56 1.79 0.00 0.00 0.00 179.25 181.04 2qba h THR 173 N 0.49 1.16 0.00 0.00 1.35 -1.93 -2.93 112.91 111.05 2qba h THR 173 Ca 0.16 -2.08 0.00 0.00 -0.55 0.00 0.00 66.41 63.94 2qba h THR 173 Cb 0.01 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 2qba h THR 173 CO -0.07 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 176.35 2qba n GLY 174 N 0.55 -0.31 3.53 5.82 0.00 -0.64 -4.83 105.19 109.32 2qba n GLY 174 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2qba n GLY 174 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qba n ILE 175 N -0.38 1.28 -3.72 -0.61 3.06 -1.11 -4.64 119.36 113.25 2qba n ILE 175 Ca 0.00 -0.26 -0.12 0.00 -2.50 0.00 0.00 62.75 59.88 2qba n ILE 175 Cb 0.02 -0.87 -0.12 0.00 0.54 0.00 0.00 39.64 39.21 2qba n ILE 175 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2qba s ASP 176 N -1.89 -0.38 0.02 9.51 -1.08 -1.26 -5.08 116.67 116.51 2qba s ASP 176 Ca 0.66 0.69 -0.13 0.00 -0.52 0.00 0.00 52.55 53.25 2qba s ASP 176 Cb -0.28 0.58 -0.07 0.00 -1.46 0.00 0.00 42.92 41.69 2qba s ASP 176 CO 0.58 -0.17 1.19 -0.65 0.52 0.00 0.00 175.17 176.64 2qba h PRO 177 N 7.03 -0.44 -0.15 4.34 0.11 -1.98 -0.11 132.00 140.80 2qba h PRO 177 Ca -0.38 0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.81 2qba h PRO 177 Cb 1.17 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2qba h PRO 177 CO 0.34 -0.29 0.31 -0.24 -0.21 0.00 0.00 178.00 177.90 2qba h VAL 178 N -0.45 0.20 0.11 3.15 3.04 -1.93 -1.36 116.25 119.01 2qba h VAL 178 Ca -0.05 0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 65.49 2qba h VAL 178 Cb 0.35 0.73 0.02 0.00 -2.01 0.00 0.00 31.29 30.38 2qba h VAL 178 CO 0.07 0.00 -0.67 0.28 -1.01 0.00 0.00 177.57 176.24 2qba h SER 179 N 0.00 0.39 -0.68 3.17 0.02 -1.87 -2.00 113.55 112.58 2qba h SER 179 Ca 0.07 -0.95 0.10 0.00 -0.84 0.00 0.00 61.79 60.17 2qba h SER 179 Cb 0.68 -0.13 -0.08 0.00 0.14 0.00 0.00 62.40 63.02 2qba h SER 179 CO -0.00 1.32 0.30 -0.07 -1.14 0.00 0.00 176.83 177.24 2qba h LEU 180 N -0.46 0.35 -0.71 5.07 3.38 0.14 0.39 115.31 123.47 2qba h LEU 180 Ca -0.12 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2qba h LEU 180 Cb 1.52 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 2qba h LEU 180 CO 0.13 0.19 -0.12 -0.29 0.09 0.00 0.00 178.44 178.44 2qba h ILE 181 N 0.51 0.25 -2.72 1.22 2.10 -1.60 -3.45 117.51 113.83 2qba h ILE 181 Ca 0.35 -1.05 -0.22 0.00 1.08 0.00 0.00 64.86 65.02 2qba h ILE 181 Cb 0.42 1.86 0.10 0.00 -1.09 0.00 0.00 36.82 38.10 2qba h ILE 181 CO -0.30 0.12 0.14 0.00 -1.08 0.00 0.00 178.15 177.03 2qba n ALA 182 N -2.15 -1.32 -0.86 0.18 0.00 0.14 -4.84 120.51 111.67 2qba n ALA 182 Ca 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2qba n ALA 182 Cb 0.47 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2qba n ALA 182 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2qba n PHE 183 N -3.36 0.00 0.00 0.00 3.01 -1.26 -4.69 117.46 111.15 2qba n PHE 183 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 2qba n PHE 183 Cb 0.31 0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 2qba n PHE 183 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2qba n ASP 184 N 0.17 0.00 -3.85 4.37 8.00 -1.24 -5.10 116.55 118.90 2qba n ASP 184 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 2qba n ASP 184 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 2qba n ASP 184 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2qba s LYS 185 N -0.43 0.05 -0.04 -1.24 2.47 -1.17 -4.83 119.74 114.55 2qba s LYS 185 Ca 0.00 0.08 0.04 0.00 -1.56 0.00 0.00 55.97 54.53 2qba s LYS 185 Cb 0.00 0.00 0.00 0.00 -1.46 0.00 0.00 37.83 36.37 2qba s LYS 185 CO 0.00 -0.02 -0.15 0.54 0.16 0.00 0.00 175.35 175.88 2qba s VAL 186 N 0.13 1.27 0.00 4.02 0.11 -0.45 -0.25 120.40 125.23 2qba s VAL 186 Ca -0.01 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 2qba s VAL 186 Cb -0.01 -1.11 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 2qba s VAL 186 CO -0.00 0.37 0.00 0.52 -3.33 0.00 0.00 175.10 172.66 2qba n VAL 187 N 3.28 0.00 -1.62 2.04 0.31 -1.26 0.08 118.33 121.17 2qba n VAL 187 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2qba n VAL 187 Cb 0.53 -0.11 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 2qba n VAL 187 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2qba n MET 188 N -0.50 -4.06 -2.47 5.55 0.00 -1.21 -2.73 117.12 111.70 2qba n MET 188 Ca 0.00 3.00 -0.26 0.00 0.00 0.00 0.00 57.70 60.45 2qba n MET 188 Cb 0.00 -3.10 0.03 0.00 0.00 0.00 0.00 33.22 30.15 2qba n MET 188 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2qba s THR 189 N -0.49 3.50 -1.30 1.12 -4.23 -1.24 -3.02 115.64 109.98 2qba s THR 189 Ca 0.00 -0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.39 2qba s THR 189 Cb 0.00 -3.38 0.02 0.00 1.34 0.00 0.00 72.50 70.47 2qba s THR 189 CO 0.00 -0.37 0.89 0.00 -0.54 0.00 0.00 174.62 174.60 2qba n ALA 190 N -2.54 1.20 -0.10 3.99 0.00 -1.20 -1.04 120.51 120.82 2qba n ALA 190 Ca 0.05 -0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.28 2qba n ALA 190 Cb 0.58 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.91 2qba n ALA 190 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2qba n ASP 191 N -1.35 1.86 -0.25 0.00 -0.08 -1.26 -3.70 116.55 111.78 2qba n ASP 191 Ca 0.00 0.44 -0.08 0.00 -1.51 0.00 0.00 54.79 53.65 2qba n ASP 191 Cb 0.01 -0.94 0.04 0.00 2.34 0.00 0.00 41.12 42.57 2qba n ASP 191 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2qba h ALA 192 N -0.60 0.91 -0.07 -1.67 0.00 -1.59 -1.39 119.26 114.85 2qba h ALA 192 Ca -0.33 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.35 2qba h ALA 192 Cb 1.22 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2qba h ALA 192 CO -0.20 0.64 0.12 0.28 0.00 0.00 0.00 179.25 180.10 2qba h VAL 193 N 1.04 0.30 0.14 0.00 2.07 -1.27 0.84 116.25 119.37 2qba h VAL 193 Ca 0.21 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.52 2qba h VAL 193 Cb 0.39 0.89 0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2qba h VAL 193 CO 0.01 0.00 -1.00 0.50 0.02 0.00 0.00 177.57 177.10 2qba h LYS 194 N 0.00 0.30 -0.03 1.57 3.64 -1.35 -2.94 116.57 117.76 2qba h LYS 194 Ca 0.03 -0.52 -0.04 0.00 -1.27 0.00 0.00 60.65 58.86 2qba h LYS 194 Cb 0.28 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2qba h LYS 194 CO -0.00 1.25 -0.12 1.96 -2.27 0.00 0.00 179.45 180.27 2qba h GLN 195 N -0.33 0.14 0.00 1.90 4.20 -0.70 -2.67 115.11 117.65 2qba h GLN 195 Ca -0.19 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2qba h GLN 195 Cb 1.70 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.50 2qba h GLN 195 CO 0.14 0.74 0.00 0.28 -0.67 0.00 0.00 178.83 179.32 2qba n VAL 196 N -4.64 1.42 0.10 -0.54 0.31 0.28 0.94 118.33 116.20 2qba n VAL 196 Ca -0.09 0.52 -0.21 0.00 -0.01 0.00 0.00 64.34 64.56 2qba n VAL 196 Cb 0.39 -1.48 -0.12 0.00 -0.91 0.00 0.00 33.84 31.71 2qba n VAL 196 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2qba h GLU 197 N 0.00 0.53 0.06 5.55 4.57 -1.29 -3.27 114.58 120.74 2qba h GLU 197 Ca 0.00 -0.74 -0.34 0.00 -1.18 0.00 0.00 59.36 57.10 2qba h GLU 197 Cb 0.07 0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 2qba h GLU 197 CO 0.00 1.33 -1.94 -0.85 -1.18 0.00 0.00 179.01 176.37 2qba n GLU 198 N -3.73 0.70 -0.35 1.92 0.00 0.13 -4.08 120.64 115.23 2qba n GLU 198 Ca -0.12 0.25 0.26 0.00 0.00 0.00 0.00 57.16 57.54 2qba n GLU 198 Cb 0.99 -1.72 0.50 0.00 0.00 0.00 0.00 31.44 31.22 2qba n GLU 198 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.13 179.11 2qba h MET 199 N 0.04 0.29 -6.03 3.44 4.05 0.45 -3.37 114.93 113.79 2qba h MET 199 Ca -0.39 -0.02 -0.61 0.00 -0.28 0.00 0.00 59.70 58.41 2qba h MET 199 Cb 2.03 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 32.71 2qba h MET 199 CO 0.07 0.19 -0.18 -0.51 0.23 0.00 0.00 176.91 176.70 2qba s LEU 200 N -10.24 4.48 0.00 3.39 2.01 -1.23 -5.07 118.68 112.02 2qba s LEU 200 Ca -0.10 0.99 0.00 0.00 0.01 0.00 0.00 54.13 55.04 2qba s LEU 200 Cb 0.30 -2.62 0.00 0.00 0.01 0.00 0.00 46.19 43.88 2qba s LEU 200 CO 0.79 0.31 0.00 0.00 1.01 0.00 0.00 176.35 178.47