#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqt s TRP 2 N 0.00 2.82 -0.39 0.66 0.51 -1.26 -5.06 118.94 116.22 2qqt s TRP 2 Ca 0.00 0.76 0.04 0.00 -2.12 0.00 0.00 56.10 54.78 2qqt s TRP 2 Cb 0.00 -3.49 0.16 0.00 -0.81 0.00 0.00 33.47 29.33 2qqt s TRP 2 CO 0.00 -1.93 0.42 -2.00 -0.51 0.00 0.00 176.95 172.93 2qqt s GLU 3 N -5.53 0.71 -0.29 4.98 2.12 -1.26 -4.95 118.70 114.50 2qqt s GLU 3 Ca 0.63 -0.95 0.08 0.00 0.36 0.00 0.00 54.97 55.08 2qqt s GLU 3 Cb -0.12 -0.67 0.45 0.00 0.26 0.00 0.00 34.13 34.06 2qqt s GLU 3 CO 0.50 -1.22 1.23 1.55 -0.54 0.00 0.00 175.26 176.77 2qqt n VAL 4 N 4.02 2.50 -0.00 3.70 3.14 -1.26 -4.72 118.33 125.72 2qqt n VAL 4 Ca 0.13 -3.97 -0.00 0.00 -2.96 0.00 0.00 64.34 57.54 2qqt n VAL 4 Cb 0.47 -0.96 -0.00 0.00 -1.06 0.00 0.00 33.84 32.29 2qqt n VAL 4 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 2qqt h GLY 5 N 1.93 0.00 -1.70 7.55 0.00 -2.06 -3.47 103.07 105.32 2qqt h GLY 5 Ca 0.31 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.42 2qqt h GLY 5 CO 0.64 0.00 0.11 0.00 0.00 0.00 0.00 176.54 177.29 2qqt n GLY 7 N 0.76 2.75 0.00 0.00 0.00 -1.26 -4.96 105.19 102.48 2qqt n GLY 7 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2qqt n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqt n ALA 8 N -0.72 0.00 0.13 4.61 0.00 -1.26 -4.92 120.51 118.35 2qqt n ALA 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qqt n ALA 8 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qqt n ALA 8 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2qqt n PRO 9 N 0.00 0.13 -5.01 0.00 -0.02 -1.26 -4.49 135.00 124.35 2qqt n PRO 9 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 2qqt n PRO 9 Cb 0.00 -1.12 -0.16 0.00 -0.02 0.00 0.00 33.50 32.19 2qqt n PRO 9 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2qqt s VAL 10 N -0.72 1.71 -0.32 -1.45 -7.23 -1.26 -4.87 120.40 106.26 2qqt s VAL 10 Ca 0.00 -0.85 -0.29 0.00 -1.81 0.00 0.00 61.98 59.03 2qqt s VAL 10 Cb 0.00 -1.47 0.01 0.00 0.56 0.00 0.00 36.38 35.48 2qqt s VAL 10 CO 0.00 0.48 1.11 -2.16 -0.31 0.00 0.00 175.10 174.22 2qqt s PRO 11 N 0.16 4.04 0.39 4.82 0.04 -1.26 -5.00 135.00 138.19 2qqt s PRO 11 Ca -0.09 1.10 0.08 0.00 0.04 0.00 0.00 61.00 62.12 2qqt s PRO 11 Cb -0.14 -3.76 -0.04 0.00 0.04 0.00 0.00 34.50 30.59 2qqt s PRO 11 CO 0.05 -0.93 0.20 -1.17 0.04 0.00 0.00 177.00 175.18 2qqt s LEU 12 N 3.75 3.22 0.18 -3.56 2.96 -1.26 -5.06 118.68 118.91 2qqt s LEU 12 Ca 0.47 -0.91 -0.22 0.00 -0.22 0.00 0.00 54.13 53.25 2qqt s LEU 12 Cb -0.13 -1.65 0.08 0.00 0.50 0.00 0.00 46.19 44.99 2qqt s LEU 12 CO 0.17 -0.48 1.06 0.68 -1.32 0.00 0.00 176.35 176.46 2qqt s VAL 13 N -2.52 0.00 0.73 1.68 -7.23 -1.26 -5.18 120.40 106.63 2qqt s VAL 13 Ca 0.41 -0.56 -0.11 0.00 -1.81 0.00 0.00 61.98 59.91 2qqt s VAL 13 Cb 0.00 -2.97 0.04 0.00 0.56 0.00 0.00 36.38 34.01 2qqt s VAL 13 CO 0.24 0.00 1.11 -0.75 -0.31 0.00 0.00 175.10 175.39 2qqt s LYS 14 N -2.08 2.57 0.21 4.82 2.20 -1.26 -5.06 119.74 121.14 2qqt s LYS 14 Ca 0.23 0.32 0.06 0.00 -0.36 0.00 0.00 55.97 56.22 2qqt s LYS 14 Cb -0.03 -2.01 -0.04 0.00 -1.51 0.00 0.00 37.83 34.24 2qqt s LYS 14 CO 0.05 -1.20 0.14 0.00 -0.36 0.00 0.00 175.35 173.98 2qqt n ASP 16 N -0.70 0.33 0.00 0.00 -0.08 -1.26 -5.03 116.55 109.81 2qqt n ASP 16 Ca -0.08 0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 2qqt n ASP 16 Cb 0.56 0.85 0.00 0.00 2.34 0.00 0.00 41.12 44.87 2qqt n ASP 16 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2qqt n GLU 17 N -2.72 -1.47 -0.18 -0.67 1.02 -1.26 -4.27 120.64 111.09 2qqt n GLU 17 Ca -0.19 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2qqt n GLU 17 Cb 0.95 -4.82 0.00 0.00 -0.02 0.00 0.00 31.44 27.55 2qqt n GLU 17 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2qqt n ASN 18 N -0.68 0.00 -4.75 1.62 5.03 -1.26 -5.11 115.26 110.11 2qqt n ASN 18 Ca 0.00 -0.73 -0.40 0.00 0.87 0.00 0.00 54.58 54.31 2qqt n ASN 18 Cb 0.36 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.07 2qqt n ASN 18 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2qqt s SER 19 N 0.00 7.45 0.00 6.41 0.15 -1.26 -4.97 113.70 121.47 2qqt s SER 19 Ca 0.00 2.06 0.27 0.00 0.70 0.00 0.00 55.95 58.98 2qqt s SER 19 Cb 0.00 -2.61 0.88 0.00 -1.71 0.00 0.00 66.02 62.57 2qqt s SER 19 CO 0.00 -0.02 1.65 -2.65 1.20 0.00 0.00 173.24 173.42 2qqt n PRO 20 N 1.65 0.54 -4.72 5.44 -0.02 -1.26 -4.91 135.00 131.73 2qqt n PRO 20 Ca -0.01 -0.27 -0.32 0.00 -2.02 0.00 0.00 63.50 60.89 2qqt n PRO 20 Cb 0.46 -1.49 -0.12 0.00 -0.02 0.00 0.00 33.50 32.33 2qqt n PRO 20 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2qqt s TYR 21 N -2.64 2.70 0.76 6.00 4.12 -1.26 -5.11 117.35 121.92 2qqt s TYR 21 Ca 0.22 -0.16 -0.14 0.00 0.02 0.00 0.00 57.07 57.01 2qqt s TYR 21 Cb 0.19 -1.57 0.06 0.00 -1.52 0.00 0.00 41.96 39.12 2qqt s TYR 21 CO 0.55 0.25 1.18 1.03 0.02 0.00 0.00 175.55 178.58 2qqt s ARG 22 N -1.12 2.01 0.70 -0.62 0.52 -1.26 -5.01 118.95 114.16 2qqt s ARG 22 Ca 0.14 1.65 -0.08 0.00 -0.52 0.00 0.00 55.73 56.92 2qqt s ARG 22 Cb -0.11 -1.83 0.05 0.00 0.52 0.00 0.00 34.95 33.58 2qqt s ARG 22 CO 0.04 -1.91 1.02 0.95 0.02 0.00 0.00 175.30 175.42 2qqt s THR 23 N -2.20 2.59 0.21 0.02 -4.23 -1.26 -4.98 115.64 105.79 2qqt s THR 23 Ca 0.71 -0.12 0.03 0.00 -1.18 0.00 0.00 61.69 61.13 2qqt s THR 23 Cb -0.26 -3.12 -0.08 0.00 1.34 0.00 0.00 72.50 70.37 2qqt s THR 23 CO 0.48 -0.14 1.50 0.40 -0.54 0.00 0.00 174.62 176.32 2qqt h ILE 24 N -0.59 1.41 0.00 2.99 1.08 -1.92 -3.19 117.51 117.29 2qqt h ILE 24 Ca -0.45 -2.14 0.00 0.00 -0.39 0.00 0.00 64.86 61.88 2qqt h ILE 24 Cb 1.30 2.12 0.00 0.00 -3.07 0.00 0.00 36.82 37.17 2qqt h ILE 24 CO 0.61 0.63 -0.25 0.35 -0.69 0.00 0.00 178.15 178.81 2qqt n THR 25 N -3.82 0.50 -0.09 -0.27 -2.24 -1.26 -4.42 114.28 102.68 2qqt n THR 25 Ca -0.03 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2qqt n THR 25 Cb 0.67 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 2qqt n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qqt n GLY 26 N 1.32 1.04 3.70 3.38 0.00 -1.21 -1.07 105.19 112.35 2qqt n GLY 26 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 2qqt n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qqt s ASP 27 N -2.82 3.35 -0.18 1.61 1.01 -1.26 -3.49 116.67 114.88 2qqt s ASP 27 Ca 0.00 2.11 0.00 0.00 0.71 0.00 0.00 52.55 55.37 2qqt s ASP 27 Cb 0.00 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.37 2qqt s ASP 27 CO 0.00 -2.82 0.00 0.00 0.21 0.00 0.00 175.17 172.56 2qqt h ASN 29 N 0.00 -0.09 -3.59 0.00 -0.73 -1.78 -3.40 115.58 105.99 2qqt h ASN 29 Ca -0.03 -0.40 -0.63 0.00 1.87 0.00 0.00 56.30 57.10 2qqt h ASN 29 Cb 0.64 0.02 -0.14 0.00 0.27 0.00 0.00 38.32 39.12 2qqt h ASN 29 CO 0.05 0.38 0.02 0.21 -0.37 0.00 0.00 177.43 177.72 2qqt s ASN 30 N -5.54 6.39 0.10 1.15 3.84 -1.26 -4.61 114.94 115.01 2qqt s ASN 30 Ca -0.15 0.23 -0.16 0.00 0.21 0.00 0.00 52.86 52.99 2qqt s ASN 30 Cb 0.02 -2.29 -0.06 0.00 -0.55 0.00 0.00 41.25 38.37 2qqt s ASN 30 CO 0.62 -0.44 1.51 0.03 -2.79 0.00 0.00 177.10 176.03 2qqt h ARG 31 N 8.29 0.59 0.00 0.43 3.08 -1.95 -2.13 114.38 122.68 2qqt h ARG 31 Ca -0.28 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 59.48 2qqt h ARG 31 Cb 1.13 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 2qqt h ARG 31 CO 0.77 0.76 -0.39 0.00 -1.07 0.00 0.00 179.97 180.04 2qqt h ARG 32 N 0.37 0.00 -2.28 0.04 3.08 -1.96 -3.36 114.38 110.27 2qqt h ARG 32 Ca 0.08 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.55 2qqt h ARG 32 Cb 0.53 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.19 2qqt h ARG 32 CO 0.03 0.39 -1.01 0.45 -1.07 0.00 0.00 179.97 178.76 2qqt n SER 33 N -3.54 -0.33 0.11 7.04 2.88 -1.22 -5.04 113.62 113.53 2qqt n SER 33 Ca -0.00 -2.45 0.17 0.00 -1.33 0.00 0.00 58.87 55.26 2qqt n SER 33 Cb 0.52 -0.57 0.51 0.00 -0.75 0.00 0.00 64.21 63.92 2qqt n SER 33 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2qqt h PRO 34 N 5.26 0.00 -0.03 -1.46 0.11 -1.54 -2.51 132.00 131.83 2qqt h PRO 34 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2qqt h PRO 34 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 2qqt h PRO 34 CO 0.39 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.16 2qqt n ALA 35 N -2.03 2.52 -1.83 -0.75 0.00 -1.26 -0.56 120.51 116.60 2qqt n ALA 35 Ca 0.08 -0.68 -0.42 0.00 0.00 0.00 0.00 53.44 52.42 2qqt n ALA 35 Cb 0.91 -0.76 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 2qqt n ALA 35 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2qqt s LEU 36 N -1.91 4.19 0.00 0.00 2.96 -0.95 -1.61 118.68 121.37 2qqt s LEU 36 Ca 0.26 2.29 0.00 0.00 -0.22 0.00 0.00 54.13 56.46 2qqt s LEU 36 Cb 0.19 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.35 2qqt s LEU 36 CO 0.30 -1.17 0.00 0.61 -1.32 0.00 0.00 176.35 174.77 2qqt n GLY 37 N 4.60 1.09 3.72 7.98 0.00 -1.26 -4.65 105.19 116.67 2qqt n GLY 37 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 2qqt n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qqt s ALA 38 N -2.52 1.98 0.72 4.61 0.00 -0.64 -1.32 121.76 124.58 2qqt s ALA 38 Ca 0.00 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 52.45 2qqt s ALA 38 Cb 0.00 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.74 2qqt s ALA 38 CO 0.00 -2.07 1.08 0.00 0.00 0.00 0.00 175.76 174.77 2qqt s ALA 39 N -2.47 2.68 -1.29 0.00 0.00 -0.23 -4.23 121.76 116.23 2qqt s ALA 39 Ca 0.68 -0.16 -0.07 0.00 0.00 0.00 0.00 51.96 52.41 2qqt s ALA 39 Cb -0.23 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 19.80 2qqt s ALA 39 CO 0.51 -1.26 1.12 0.09 0.00 0.00 0.00 175.76 176.22 2qqt n ASN 40 N -3.12 -5.35 -3.84 0.00 3.02 0.79 -4.84 115.26 101.92 2qqt n ASN 40 Ca 0.07 -0.54 -0.19 0.00 -0.03 0.00 0.00 54.58 53.88 2qqt n ASN 40 Cb 0.56 -4.94 -0.09 0.00 -0.61 0.00 0.00 39.78 34.70 2qqt n ASN 40 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2qqt s ARG 41 N -6.07 1.64 0.61 3.52 0.52 -1.12 -4.56 118.95 113.50 2qqt s ARG 41 Ca 0.45 -1.95 -0.17 0.00 -0.52 0.00 0.00 55.73 53.54 2qqt s ARG 41 Cb -0.20 0.00 -0.02 0.00 0.52 0.00 0.00 34.95 35.25 2qqt s ARG 41 CO 0.71 -0.51 1.12 0.00 0.02 0.00 0.00 175.30 176.64 2qqt s ALA 42 N -3.57 2.56 0.36 2.13 0.00 -1.26 -0.19 121.76 121.79 2qqt s ALA 42 Ca 0.36 0.67 -0.25 0.00 0.00 0.00 0.00 51.96 52.74 2qqt s ALA 42 Cb 0.04 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 2qqt s ALA 42 CO 0.20 -1.08 0.99 -0.51 0.00 0.00 0.00 175.76 175.35 2qqt s LEU 43 N -4.44 4.24 0.60 0.00 1.43 -0.81 -4.71 118.68 114.99 2qqt s LEU 43 Ca 0.69 1.91 -0.17 0.00 -1.03 0.00 0.00 54.13 55.53 2qqt s LEU 43 Cb -0.22 -4.12 -0.03 0.00 0.03 0.00 0.00 46.19 41.85 2qqt s LEU 43 CO 0.36 -0.25 1.12 0.00 0.23 0.00 0.00 176.35 177.81 2qqt s ALA 44 N -1.68 2.59 -0.21 4.21 0.00 -0.69 -4.63 121.76 121.35 2qqt s ALA 44 Ca 0.54 0.68 -0.04 0.00 0.00 0.00 0.00 51.96 53.14 2qqt s ALA 44 Cb -0.19 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 2qqt s ALA 44 CO 0.24 -1.01 -0.02 1.03 0.00 0.00 0.00 175.76 176.01 2qqt s ARG 45 N -3.68 3.49 0.20 0.00 1.81 -1.26 -0.27 118.95 119.24 2qqt s ARG 45 Ca 0.70 -0.57 0.22 0.00 -1.72 0.00 0.00 55.73 54.36 2qqt s ARG 45 Cb -0.22 -3.05 0.00 0.00 -0.45 0.00 0.00 34.95 31.23 2qqt s ARG 45 CO 0.34 -0.10 1.05 -1.49 -0.68 0.00 0.00 175.30 174.42 2qqt h TRP 46 N 7.83 0.00 -3.95 -0.53 6.55 -1.98 -3.47 115.95 120.41 2qqt h TRP 46 Ca -0.38 0.00 -0.12 0.00 0.95 0.00 0.00 58.89 59.34 2qqt h TRP 46 Cb 1.17 0.00 -0.16 0.00 -0.86 0.00 0.00 29.16 29.31 2qqt h TRP 46 CO 0.59 0.02 -0.54 -0.51 -1.05 0.00 0.00 178.44 176.95 2qqt s LEU 47 N -5.39 1.94 0.63 -4.49 1.43 -1.26 -5.14 118.68 106.40 2qqt s LEU 47 Ca -0.00 -0.71 -0.17 0.00 -1.03 0.00 0.00 54.13 52.21 2qqt s LEU 47 Cb 0.09 0.56 -0.02 0.00 0.03 0.00 0.00 46.19 46.86 2qqt s LEU 47 CO 0.79 -0.58 1.18 -2.84 0.23 0.00 0.00 176.35 175.13 2qqt s PRO 48 N -3.28 2.81 0.80 1.29 0.02 -1.26 -4.96 135.00 130.41 2qqt s PRO 48 Ca 0.01 1.72 -0.12 0.00 0.02 0.00 0.00 61.00 62.63 2qqt s PRO 48 Cb 0.03 -1.92 0.08 0.00 0.02 0.00 0.00 34.50 32.70 2qqt s PRO 48 CO -0.08 -1.31 1.13 0.00 -0.33 0.00 0.00 177.00 176.41 2qqt s ALA 49 N -1.82 2.01 -0.25 -1.55 0.00 -1.26 -4.73 121.76 114.16 2qqt s ALA 49 Ca 0.75 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 2qqt s ALA 49 Cb -0.28 -3.36 0.08 0.00 0.00 0.00 0.00 23.12 19.56 2qqt s ALA 49 CO 0.36 -2.05 0.05 -1.21 0.00 0.00 0.00 175.76 172.92 2qqt s GLU 50 N -4.58 0.84 0.25 0.00 2.02 -0.01 -5.01 118.70 112.21 2qqt s GLU 50 Ca 0.66 -0.82 0.11 0.00 0.02 0.00 0.00 54.97 54.93 2qqt s GLU 50 Cb -0.21 -2.14 -0.05 0.00 0.10 0.00 0.00 34.13 31.84 2qqt s GLU 50 CO 0.53 -0.79 -0.14 0.71 0.02 0.00 0.00 175.26 175.59 2qqt s TYR 51 N 1.67 2.44 0.20 1.61 1.51 -1.26 -4.33 117.35 119.19 2qqt s TYR 51 Ca 0.03 -0.29 -0.10 0.00 -1.01 0.00 0.00 57.07 55.70 2qqt s TYR 51 Cb -0.17 -1.11 0.24 0.00 -0.11 0.00 0.00 41.96 40.81 2qqt s TYR 51 CO -0.16 0.63 1.77 1.49 -1.11 0.00 0.00 175.55 178.17 2qqt h GLU 52 N 2.43 0.48 -0.48 -0.62 4.81 -0.33 -1.61 114.58 119.26 2qqt h GLU 52 Ca -0.43 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2qqt h GLU 52 Cb 1.24 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2qqt h GLU 52 CO 0.57 0.32 0.00 -0.40 -0.73 0.00 0.00 179.01 178.77 2qqt n ASP 53 N -4.92 4.52 0.00 1.04 5.75 -1.26 -4.95 116.55 116.72 2qqt n ASP 53 Ca 0.08 -2.68 0.00 0.00 -0.01 0.00 0.00 54.79 52.18 2qqt n ASP 53 Cb 0.22 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 2qqt n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qqt n GLY 54 N 0.44 2.42 0.92 6.12 0.00 -0.61 -4.73 105.19 109.76 2qqt n GLY 54 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 2qqt n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qqt n LEU 55 N 0.00 0.64 0.00 0.99 4.77 -1.26 -4.61 117.00 117.53 2qqt n LEU 55 Ca 0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2qqt n LEU 55 Cb 0.00 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2qqt n LEU 55 CO 0.00 -0.27 0.00 0.00 -1.33 0.00 0.00 177.39 175.79 2qqt n ALA 56 N -3.34 0.67 -2.21 -1.18 0.00 -1.26 -1.22 120.51 111.97 2qqt n ALA 56 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 2qqt n ALA 56 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 2qqt n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qqt s LEU 57 N -0.73 4.40 0.63 0.00 1.02 -1.26 -4.93 118.68 117.81 2qqt s LEU 57 Ca 0.00 2.20 -0.15 0.00 0.02 0.00 0.00 54.13 56.20 2qqt s LEU 57 Cb 0.00 -3.59 -0.02 0.00 0.02 0.00 0.00 46.19 42.60 2qqt s LEU 57 CO 0.00 -0.49 1.09 -2.84 0.02 0.00 0.00 176.35 174.12 2qqt s PRO 58 N 0.58 3.02 0.27 1.29 0.02 -1.26 0.33 135.00 139.24 2qqt s PRO 58 Ca 0.58 1.30 -0.30 0.00 0.02 0.00 0.00 61.00 62.61 2qqt s PRO 58 Cb -0.33 -1.99 -0.09 0.00 0.02 0.00 0.00 34.50 32.11 2qqt s PRO 58 CO 0.33 -1.06 1.09 -0.06 -0.33 0.00 0.00 177.00 176.96 2qqt s PHE 59 N -2.41 3.62 0.00 6.54 0.40 -1.26 -2.43 117.98 122.43 2qqt s PHE 59 Ca 0.65 1.71 0.00 0.00 -0.60 0.00 0.00 56.93 58.69 2qqt s PHE 59 Cb -0.18 -3.26 0.00 0.00 0.51 0.00 0.00 43.02 40.09 2qqt s PHE 59 CO 0.40 -0.46 0.00 0.41 0.70 0.00 0.00 175.22 176.27 2qqt n GLY 60 N 1.29 0.71 0.12 4.36 0.00 -1.26 -4.93 105.19 105.48 2qqt n GLY 60 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 2qqt n GLY 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2qqt h TRP 61 N 0.00 0.43 -3.28 1.61 2.91 -1.85 -3.41 115.95 112.35 2qqt h TRP 61 Ca 0.00 -0.31 -0.74 0.00 1.13 0.00 0.00 58.89 58.97 2qqt h TRP 61 Cb 0.00 -0.02 -0.28 0.00 -0.51 0.00 0.00 29.16 28.35 2qqt h TRP 61 CO 0.00 1.42 -0.33 0.99 -1.03 0.00 0.00 178.44 179.49 2qqt s THR 62 N -2.43 4.49 0.06 2.65 2.01 -1.26 -4.96 115.64 116.20 2qqt s THR 62 Ca -0.18 -1.80 0.09 0.00 0.31 0.00 0.00 61.69 60.10 2qqt s THR 62 Cb 0.03 -3.93 0.09 0.00 0.01 0.00 0.00 72.50 68.69 2qqt s THR 62 CO 0.78 -0.82 1.10 0.00 -0.69 0.00 0.00 174.62 174.99 2qqt n GLN 63 N 4.89 0.06 -0.07 4.92 3.00 -1.26 -1.47 117.38 127.44 2qqt n GLN 63 Ca -0.08 0.51 -0.21 0.00 -0.01 0.00 0.00 57.00 57.21 2qqt n GLN 63 Cb 0.41 -2.12 -0.13 0.00 0.00 0.00 0.00 30.24 28.41 2qqt n GLN 63 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 2qqt n ARG 64 N -1.90 0.68 -1.93 -1.09 1.85 -1.26 -4.88 116.66 108.13 2qqt n ARG 64 Ca -0.01 0.27 -0.42 0.00 -1.00 0.00 0.00 57.85 56.70 2qqt n ARG 64 Cb 0.43 -1.63 -0.03 0.00 -1.05 0.00 0.00 32.46 30.18 2qqt n ARG 64 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2qqt s LYS 65 N -2.51 4.21 0.51 2.89 -0.14 -0.54 -5.00 119.74 119.15 2qqt s LYS 65 Ca -0.29 2.38 0.07 0.00 -1.36 0.00 0.00 55.97 56.77 2qqt s LYS 65 Cb 0.08 -3.12 0.07 0.00 -1.68 0.00 0.00 37.83 33.18 2qqt s LYS 65 CO 0.66 -0.56 0.60 0.25 -0.76 0.00 0.00 175.35 175.54 2qqt n THR 66 N 3.24 0.00 -3.98 2.17 -2.24 -1.26 -4.76 114.28 107.44 2qqt n THR 66 Ca 0.11 -1.78 -0.31 0.00 -2.27 0.00 0.00 64.05 59.80 2qqt n THR 66 Cb 0.39 -0.42 -0.15 0.00 -2.10 0.00 0.00 70.33 68.05 2qqt n THR 66 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2qqt s ARG 67 N -4.23 1.83 -1.70 -0.78 3.52 0.90 -4.67 118.95 113.82 2qqt s ARG 67 Ca 0.46 -1.10 -0.01 0.00 -0.13 0.00 0.00 55.73 54.95 2qqt s ARG 67 Cb -0.04 -2.68 0.00 0.00 -1.56 0.00 0.00 34.95 30.67 2qqt s ARG 67 CO 0.29 -0.59 0.12 0.09 -0.81 0.00 0.00 175.30 174.40 2qqt n ASN 68 N 4.59 -5.84 0.00 -2.12 3.02 -1.26 -2.40 115.26 111.25 2qqt n ASN 68 Ca -0.13 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 2qqt n ASN 68 Cb 0.43 -4.82 0.00 0.00 -0.61 0.00 0.00 39.78 34.79 2qqt n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qqt n GLY 69 N -1.12 0.76 3.27 7.41 0.00 -1.26 -5.06 105.19 109.18 2qqt n GLY 69 Ca -0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 2qqt n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qqt s PHE 70 N -2.54 1.36 0.40 1.61 0.40 -1.01 -4.97 117.98 113.23 2qqt s PHE 70 Ca 0.00 -0.70 -0.24 0.00 -0.60 0.00 0.00 56.93 55.40 2qqt s PHE 70 Cb 0.00 -0.68 -0.09 0.00 0.51 0.00 0.00 43.02 42.76 2qqt s PHE 70 CO 0.00 0.14 1.03 1.03 0.70 0.00 0.00 175.22 178.12 2qqt s ARG 71 N -3.59 4.19 -0.16 0.44 0.52 -1.26 -0.07 118.95 119.02 2qqt s ARG 71 Ca 0.17 1.45 -0.14 0.00 -0.52 0.00 0.00 55.73 56.69 2qqt s ARG 71 Cb 0.01 -2.51 -0.05 0.00 0.52 0.00 0.00 34.95 32.92 2qqt s ARG 71 CO 0.02 -0.11 0.32 0.14 0.02 0.00 0.00 175.30 175.68 2qqt s VAL 72 N -1.71 5.29 0.58 3.52 -7.23 -1.26 -4.89 120.40 114.69 2qqt s VAL 72 Ca 0.58 0.59 -0.20 0.00 -1.81 0.00 0.00 61.98 61.14 2qqt s VAL 72 Cb -0.20 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.05 2qqt s VAL 72 CO 0.26 0.37 1.32 -2.16 -0.31 0.00 0.00 175.10 174.58 2qqt s PRO 73 N 0.55 2.94 0.30 4.82 0.04 -1.26 -4.89 135.00 137.50 2qqt s PRO 73 Ca 0.17 2.14 -0.30 0.00 0.04 0.00 0.00 61.00 63.06 2qqt s PRO 73 Cb -0.13 -2.10 -0.12 0.00 0.04 0.00 0.00 34.50 32.19 2qqt s PRO 73 CO 0.05 -1.32 1.51 1.28 0.04 0.00 0.00 177.00 178.56 2qqt n LEU 74 N -1.35 4.03 -0.35 -3.56 4.77 -1.26 -4.88 117.00 114.40 2qqt n LEU 74 Ca 0.12 1.16 0.07 0.00 -0.03 0.00 0.00 56.01 57.34 2qqt n LEU 74 Cb 0.46 -1.55 0.24 0.00 -2.33 0.00 0.00 43.42 40.24 2qqt n LEU 74 CO 0.50 -0.06 1.21 0.00 -1.33 0.00 0.00 177.39 177.71 2qqt h ALA 75 N 4.19 1.48 -0.16 -1.18 0.00 -1.90 -1.71 119.26 119.98 2qqt h ALA 75 Ca -0.47 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 2qqt h ALA 75 Cb 1.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2qqt h ALA 75 CO 0.75 0.17 -0.30 -0.09 0.00 0.00 0.00 179.25 179.78 2qqt h ARG 76 N 0.93 0.32 -0.18 0.00 9.65 -1.87 -1.08 114.38 122.15 2qqt h ARG 76 Ca 0.49 -0.12 -0.02 0.00 -1.10 0.00 0.00 59.98 59.23 2qqt h ARG 76 Cb 0.52 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 2qqt h ARG 76 CO -0.28 0.59 0.05 1.49 2.80 0.00 0.00 179.97 184.62 2qqt h GLU 77 N 0.28 0.29 -0.60 0.20 4.81 -1.64 0.14 114.58 118.06 2qqt h GLU 77 Ca 0.04 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 2qqt h GLU 77 Cb 0.67 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 2qqt h GLU 77 CO 0.05 0.42 0.28 0.28 -0.73 0.00 0.00 179.01 179.31 2qqt h VAL 78 N 0.11 0.88 -0.46 0.32 2.07 -1.28 0.73 116.25 118.62 2qqt h VAL 78 Ca 0.06 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.43 2qqt h VAL 78 Cb 0.26 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 2qqt h VAL 78 CO 0.00 0.09 0.24 -1.28 0.02 0.00 0.00 177.57 176.64 2qqt h SER 79 N 0.51 0.36 -0.41 0.57 0.87 -0.80 -0.71 113.55 113.93 2qqt h SER 79 Ca 0.28 0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.73 2qqt h SER 79 Cb 0.26 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 2qqt h SER 79 CO -0.23 0.25 -0.28 0.78 -0.53 0.00 0.00 176.83 176.82 2qqt h ASN 80 N 0.48 0.96 1.14 6.23 2.35 0.11 -1.66 115.58 125.19 2qqt h ASN 80 Ca 0.19 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 2qqt h ASN 80 Cb 0.08 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.19 2qqt h ASN 80 CO -0.13 1.19 -0.61 0.11 -1.65 0.00 0.00 177.43 176.34 2qqt h LYS 81 N 0.75 0.00 0.00 0.81 1.57 0.54 -3.41 116.57 116.83 2qqt h LYS 81 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2qqt h LYS 81 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 2qqt h LYS 81 CO 0.08 0.00 -0.60 -0.89 -0.57 0.00 0.00 179.45 177.47 2qqt n ILE 82 N -2.48 0.00 0.09 1.86 -0.00 -0.29 -4.92 119.36 113.62 2qqt n ILE 82 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.65 2qqt n ILE 82 Cb 0.49 -0.32 -0.11 0.00 -0.00 0.00 0.00 39.64 39.70 2qqt n ILE 82 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 2qqt h VAL 83 N 0.00 1.56 -4.51 1.39 2.07 -1.26 -3.44 116.25 112.07 2qqt h VAL 83 Ca 0.00 -3.10 -0.48 0.00 0.82 0.00 0.00 66.70 63.94 2qqt h VAL 83 Cb 0.60 2.85 0.10 0.00 -1.52 0.00 0.00 31.29 33.31 2qqt h VAL 83 CO 0.00 0.90 0.39 -0.83 0.02 0.00 0.00 177.57 178.06 2qqt s GLY 84 N -4.65 1.60 -0.10 2.17 0.00 -0.76 -2.61 107.32 102.98 2qqt s GLY 84 Ca -0.02 -0.49 -0.31 0.00 0.00 0.00 0.00 44.72 43.89 2qqt s GLY 84 CO 0.86 -0.04 1.02 -2.52 0.00 0.00 0.00 173.10 172.41 2qqt s TYR 85 N -3.44 -0.27 -0.15 1.90 -0.85 -1.26 -4.75 117.35 108.53 2qqt s TYR 85 Ca 0.61 0.23 0.08 0.00 -0.52 0.00 0.00 57.07 57.47 2qqt s TYR 85 Cb -0.12 0.52 -0.15 0.00 0.38 0.00 0.00 41.96 42.59 2qqt s TYR 85 CO 0.51 -0.39 -0.04 1.28 -1.52 0.00 0.00 175.55 175.39 2qqt n LEU 86 N -0.02 1.23 -4.50 -3.49 4.77 -1.26 -4.63 117.00 109.10 2qqt n LEU 86 Ca -0.06 -0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.45 2qqt n LEU 86 Cb 0.60 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 2qqt n LEU 86 CO 0.11 0.53 0.44 -0.62 -1.33 0.00 0.00 177.39 176.52 2qqt s ASP 87 N -5.11 6.31 0.29 -1.43 2.15 -1.26 -4.93 116.67 112.69 2qqt s ASP 87 Ca -0.14 -0.47 0.26 0.00 0.43 0.00 0.00 52.55 52.63 2qqt s ASP 87 Cb 0.05 -2.34 0.87 0.00 -0.30 0.00 0.00 42.92 41.20 2qqt s ASP 87 CO 0.50 -0.89 1.76 -0.33 -0.17 0.00 0.00 175.17 176.03 2qqt h GLU 88 N 8.99 0.00 -7.03 4.34 4.39 -2.03 -3.46 114.58 119.78 2qqt h GLU 88 Ca -0.26 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 58.90 2qqt h GLU 88 Cb 1.09 0.00 0.12 0.00 -0.10 0.00 0.00 28.75 29.86 2qqt h GLU 88 CO 0.95 0.00 0.59 -2.00 -1.16 0.00 0.00 179.01 177.38 2qqt s GLU 89 N -3.25 3.33 0.00 2.33 2.12 -1.26 -2.70 118.70 119.28 2qqt s GLU 89 Ca 0.07 2.14 0.00 0.00 0.36 0.00 0.00 54.97 57.54 2qqt s GLU 89 Cb 0.10 -2.33 0.00 0.00 0.26 0.00 0.00 34.13 32.16 2qqt s GLU 89 CO 0.53 -1.01 0.00 0.41 -0.54 0.00 0.00 175.26 174.66 2qqt n GLY 90 N 0.65 0.38 0.07 -1.50 0.00 -1.26 -4.89 105.19 98.65 2qqt n GLY 90 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 2qqt n GLY 90 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qqt n VAL 91 N -2.27 0.00 -2.67 1.61 3.14 -1.10 -4.96 118.33 112.08 2qqt n VAL 91 Ca 0.00 -0.04 -0.38 0.00 -2.96 0.00 0.00 64.34 60.96 2qqt n VAL 91 Cb 0.13 0.33 -0.05 0.00 -1.06 0.00 0.00 33.84 33.18 2qqt n VAL 91 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2qqt s LEU 92 N -2.86 4.41 -0.27 6.55 1.43 -1.26 -1.04 118.68 125.64 2qqt s LEU 92 Ca 0.15 1.99 -0.29 0.00 -1.03 0.00 0.00 54.13 54.94 2qqt s LEU 92 Cb 0.18 -3.89 -0.01 0.00 0.03 0.00 0.00 46.19 42.50 2qqt s LEU 92 CO 0.66 -0.12 1.48 -0.62 0.23 0.00 0.00 176.35 177.98 2qqt s ASP 93 N -1.37 6.48 0.12 2.29 -1.08 -0.40 -4.61 116.67 118.10 2qqt s ASP 93 Ca 0.49 1.39 0.15 0.00 -0.52 0.00 0.00 52.55 54.05 2qqt s ASP 93 Cb -0.23 -2.54 0.67 0.00 -1.46 0.00 0.00 42.92 39.36 2qqt s ASP 93 CO 0.30 -1.21 1.46 0.00 0.52 0.00 0.00 175.17 176.24 2qqt n GLN 94 N 7.57 0.07 -2.82 4.34 1.13 -1.26 -3.51 117.38 122.90 2qqt n GLN 94 Ca 0.17 0.41 -0.01 0.00 -1.94 0.00 0.00 57.00 55.63 2qqt n GLN 94 Cb 0.46 -1.67 0.05 0.00 0.11 0.00 0.00 30.24 29.19 2qqt n GLN 94 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2qqt n ASN 95 N -1.82 1.48 -3.67 1.08 5.15 -1.26 -4.68 115.26 111.55 2qqt n ASN 95 Ca 0.02 -2.09 -0.08 0.00 -0.60 0.00 0.00 54.58 51.83 2qqt n ASN 95 Cb 0.13 -0.45 -0.09 0.00 -0.53 0.00 0.00 39.78 38.83 2qqt n ASN 95 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2qqt s ARG 96 N -3.65 0.38 0.83 1.20 1.81 -1.23 -3.75 118.95 114.54 2qqt s ARG 96 Ca 0.27 1.02 -0.12 0.00 -1.72 0.00 0.00 55.73 55.17 2qqt s ARG 96 Cb 0.34 0.28 0.09 0.00 -0.45 0.00 0.00 34.95 35.21 2qqt s ARG 96 CO -0.04 -0.22 1.16 -1.54 -0.68 0.00 0.00 175.30 173.99 2qqt s SER 97 N 2.29 4.26 0.59 0.23 1.04 -0.70 -1.17 113.70 120.24 2qqt s SER 97 Ca -0.04 0.86 0.31 0.00 0.48 0.00 0.00 55.95 57.55 2qqt s SER 97 Cb -0.11 -1.39 1.83 0.00 0.10 0.00 0.00 66.02 66.45 2qqt s SER 97 CO -0.14 -2.07 2.24 0.25 0.98 0.00 0.00 173.24 174.51 2qqt h LEU 98 N -1.17 0.00 -1.48 2.42 6.46 -0.66 -1.15 115.31 119.73 2qqt h LEU 98 Ca -0.47 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.24 2qqt h LEU 98 Cb 1.33 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.25 2qqt h LEU 98 CO 0.65 0.01 -0.22 0.25 -0.62 0.00 0.00 178.44 178.51 2qqt h LEU 99 N 0.00 0.00 -0.16 2.25 5.85 -1.79 -2.54 115.31 118.92 2qqt h LEU 99 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2qqt h LEU 99 Cb 0.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2qqt h LEU 99 CO 0.00 0.22 0.07 0.15 -0.34 0.00 0.00 178.44 178.55 2qqt h PHE 100 N 0.00 0.23 -0.06 1.25 3.57 -1.48 0.44 116.94 120.89 2qqt h PHE 100 Ca -0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2qqt h PHE 100 Cb 0.56 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 2qqt h PHE 100 CO 0.00 0.28 0.02 1.98 -2.23 0.00 0.00 178.31 178.36 2qqt h MET 101 N 0.12 0.10 -0.81 1.11 4.05 -1.63 -3.05 114.93 114.81 2qqt h MET 101 Ca 0.05 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.49 2qqt h MET 101 Cb 0.13 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.87 2qqt h MET 101 CO -0.01 0.26 0.52 0.37 0.23 0.00 0.00 176.91 178.28 2qqt h GLN 102 N -0.09 0.96 -0.35 0.39 5.75 -1.29 -2.55 115.11 117.94 2qqt h GLN 102 Ca 0.02 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 2qqt h GLN 102 Cb 0.20 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 2qqt h GLN 102 CO -0.00 0.64 0.16 2.35 -2.65 0.00 0.00 178.83 179.33 2qqt h TRP 103 N 0.99 0.50 -0.61 3.99 2.91 -0.94 -2.37 115.95 120.42 2qqt h TRP 103 Ca 0.33 -0.03 0.13 0.00 1.13 0.00 0.00 58.89 60.45 2qqt h TRP 103 Cb 0.05 -0.16 -0.11 0.00 -0.51 0.00 0.00 29.16 28.43 2qqt h TRP 103 CO -0.03 0.44 -0.07 0.78 -1.03 0.00 0.00 178.44 178.53 2qqt h GLY 104 N 0.42 0.56 1.53 2.65 0.00 -1.35 0.36 103.07 107.24 2qqt h GLY 104 Ca 0.12 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 2qqt h GLY 104 CO -0.01 -0.22 0.24 -1.61 0.00 0.00 0.00 176.54 174.94 2qqt h GLN 105 N 0.06 0.62 -0.19 4.80 4.15 -1.17 -0.63 115.11 122.76 2qqt h GLN 105 Ca 0.31 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.62 2qqt h GLN 105 Cb 0.50 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.05 2qqt h GLN 105 CO -0.58 0.47 -0.09 0.82 -1.93 0.00 0.00 178.83 177.53 2qqt h ILE 106 N 0.63 1.31 -0.39 2.39 2.04 0.12 -1.22 117.51 122.39 2qqt h ILE 106 Ca 0.16 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 64.90 2qqt h ILE 106 Cb 0.04 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 2qqt h ILE 106 CO -0.03 0.34 0.26 0.58 0.00 0.00 0.00 178.15 179.30 2qqt h VAL 107 N 0.08 1.09 -0.02 1.67 2.07 -0.69 -2.20 116.25 118.24 2qqt h VAL 107 Ca 0.04 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.42 2qqt h VAL 107 Cb 0.56 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 2qqt h VAL 107 CO 0.03 0.10 -0.36 -0.78 0.02 0.00 0.00 177.57 176.58 2qqt h ASP 108 N 0.53 -1.08 0.54 0.57 1.82 -0.97 0.34 116.42 118.17 2qqt h ASP 108 Ca 0.15 0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 56.92 2qqt h ASP 108 Cb -0.05 0.43 -0.00 0.00 0.68 0.00 0.00 39.33 40.39 2qqt h ASP 108 CO -0.04 -0.41 -0.00 0.45 -1.61 0.00 0.00 179.24 177.63 2qqt h HIS 109 N -0.50 0.00 -0.04 0.28 3.86 -1.08 0.20 115.15 117.87 2qqt h HIS 109 Ca 0.06 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.08 2qqt h HIS 109 Cb 0.59 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.06 2qqt h HIS 109 CO -0.38 0.00 -0.80 0.22 0.86 0.00 0.00 177.93 177.83 2qqt h ASP 110 N 0.00 0.45 0.32 2.45 1.82 -0.32 -3.38 116.42 117.76 2qqt h ASP 110 Ca -0.00 -0.32 -0.33 0.00 -0.39 0.00 0.00 57.03 55.99 2qqt h ASP 110 Cb 0.28 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.13 2qqt h ASP 110 CO 0.00 1.08 -1.76 -0.07 -1.61 0.00 0.00 179.24 176.88 2qqt h LEU 111 N 0.23 0.33 -7.63 2.28 3.38 0.39 -3.41 115.31 110.89 2qqt h LEU 111 Ca -0.04 -0.60 -0.11 0.00 0.09 0.00 0.00 57.88 57.21 2qqt h LEU 111 Cb 1.40 -0.11 -0.19 0.00 0.09 0.00 0.00 40.66 41.86 2qqt h LEU 111 CO 0.14 1.53 -0.34 1.51 0.09 0.00 0.00 178.44 181.36 2qqt s ASP 112 N -6.83 -0.07 -0.30 -0.43 -4.77 -0.55 -4.37 116.67 99.35 2qqt s ASP 112 Ca -0.13 -0.17 -0.08 0.00 -3.30 0.00 0.00 52.55 48.87 2qqt s ASP 112 Cb 0.07 0.30 0.16 0.00 -1.09 0.00 0.00 42.92 42.36 2qqt s ASP 112 CO 0.82 -0.51 0.71 0.12 0.70 0.00 0.00 175.17 177.00 2qqt s PHE 113 N -2.01 -1.30 -0.65 2.11 5.36 -1.26 -4.57 117.98 115.66 2qqt s PHE 113 Ca -0.09 1.82 -0.03 0.00 -0.96 0.00 0.00 56.93 57.67 2qqt s PHE 113 Cb -0.03 0.62 0.17 0.00 -0.34 0.00 0.00 43.02 43.44 2qqt s PHE 113 CO -0.00 -0.68 0.47 0.00 -1.46 0.00 0.00 175.22 173.55 2qqt s ALA 114 N 2.83 3.63 0.77 11.12 0.00 -1.25 -0.40 121.76 138.46 2qqt s ALA 114 Ca 0.05 -3.30 -0.13 0.00 0.00 0.00 0.00 51.96 48.58 2qqt s ALA 114 Cb -0.12 -2.72 0.06 0.00 0.00 0.00 0.00 23.12 20.34 2qqt s ALA 114 CO -0.19 -2.13 1.15 -1.25 0.00 0.00 0.00 175.76 173.35 2qqt s PRO 115 N -0.11 1.98 0.64 0.00 0.04 -1.26 -4.73 135.00 131.57 2qqt s PRO 115 Ca 0.17 1.53 -0.12 0.00 0.04 0.00 0.00 61.00 62.62 2qqt s PRO 115 Cb -0.19 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 2qqt s PRO 115 CO -0.04 -1.91 1.04 -1.21 0.04 0.00 0.00 177.00 174.93 2qqt s GLU 116 N -4.32 3.27 0.40 4.56 2.02 -1.26 -1.28 118.70 122.09 2qqt s GLU 116 Ca 0.69 0.94 -0.25 0.00 0.02 0.00 0.00 54.97 56.36 2qqt s GLU 116 Cb -0.24 -2.04 -0.08 0.00 0.10 0.00 0.00 34.13 31.87 2qqt s GLU 116 CO 0.50 -0.83 1.17 0.95 0.02 0.00 0.00 175.26 177.07 2qqt s THR 117 N -2.95 3.17 0.00 3.63 -4.23 -0.68 -4.61 115.64 109.97 2qqt s THR 117 Ca 0.58 0.98 0.00 0.00 -1.18 0.00 0.00 61.69 62.07 2qqt s THR 117 Cb -0.13 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.16 2qqt s THR 117 CO 0.50 0.09 0.00 -0.62 -0.54 0.00 0.00 174.62 174.05 2qqt n GLU 118 N 0.11 0.00 -3.72 3.99 1.02 -1.26 -4.87 120.64 115.90 2qqt n GLU 118 Ca 0.04 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.95 2qqt n GLU 118 Cb 0.46 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.92 2qqt n GLU 118 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2qqt n LEU 119 N 0.00 -3.06 -2.77 -4.62 4.32 -1.26 -4.89 117.00 104.72 2qqt n LEU 119 Ca 0.00 -0.78 -0.10 0.00 -0.02 0.00 0.00 56.01 55.11 2qqt n LEU 119 Cb 0.00 -2.69 0.08 0.00 -1.62 0.00 0.00 43.42 39.19 2qqt n LEU 119 CO 0.00 0.43 0.30 0.61 -1.22 0.00 0.00 177.39 177.52 2qqt n GLY 120 N -1.59 0.93 3.35 -0.72 0.00 -1.26 -4.96 105.19 100.94 2qqt n GLY 120 Ca -0.20 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 2qqt n GLY 120 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qqt s SER 121 N -1.38 3.82 -1.02 1.61 0.15 -1.26 -4.39 113.70 111.22 2qqt s SER 121 Ca 0.24 -0.36 -0.06 0.00 0.70 0.00 0.00 55.95 56.47 2qqt s SER 121 Cb 0.31 -1.48 -0.07 0.00 -1.71 0.00 0.00 66.02 63.07 2qqt s SER 121 CO -0.06 0.18 0.90 -3.20 1.20 0.00 0.00 173.24 172.27 2qqt n ASN 122 N 3.39 -6.68 -4.16 5.45 2.85 -1.26 -5.00 115.26 109.86 2qqt n ASN 122 Ca -0.18 -0.67 -0.21 0.00 -0.11 0.00 0.00 54.58 53.41 2qqt n ASN 122 Cb 0.53 -5.18 -0.13 0.00 1.24 0.00 0.00 39.78 36.24 2qqt n ASN 122 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2qqt s GLU 123 N -4.30 0.98 -0.00 1.20 2.56 -1.26 -5.01 118.70 112.86 2qqt s GLU 123 Ca 0.43 -0.81 0.19 0.00 0.00 0.00 0.00 54.97 54.78 2qqt s GLU 123 Cb -0.06 -1.01 -0.21 0.00 2.00 0.00 0.00 34.13 34.85 2qqt s GLU 123 CO 0.73 0.25 0.79 0.72 -0.56 0.00 0.00 175.26 177.19 2qqt n HIS 124 N 1.81 0.00 -0.20 5.30 8.25 -1.26 -3.79 115.22 125.33 2qqt n HIS 124 Ca -0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.19 2qqt n HIS 124 Cb 0.54 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.64 2qqt n HIS 124 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2qqt h SER 125 N 0.00 0.89 -0.03 0.41 0.87 -1.95 2.30 113.55 116.05 2qqt h SER 125 Ca 0.00 -0.27 0.01 0.00 -1.23 0.00 0.00 61.79 60.30 2qqt h SER 125 Cb 0.48 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2qqt h SER 125 CO 0.00 0.94 0.45 0.11 -0.53 0.00 0.00 176.83 177.80 2qqt h LYS 126 N 0.82 0.00 0.00 2.24 1.57 -1.95 0.17 116.57 119.42 2qqt h LYS 126 Ca 0.17 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2qqt h LYS 126 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2qqt h LYS 126 CO 0.01 0.00 -1.23 2.41 -0.57 0.00 0.00 179.45 180.07 2qqt n THR 127 N -2.87 0.21 0.30 -0.16 -1.04 0.21 -3.98 114.28 106.95 2qqt n THR 127 Ca -0.01 -0.14 0.16 0.00 -2.04 0.00 0.00 64.05 62.02 2qqt n THR 127 Cb 0.50 -0.72 0.76 0.00 -1.82 0.00 0.00 70.33 69.06 2qqt n THR 127 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 2qqt h GLN 128 N 0.00 0.00 0.03 -2.82 4.15 0.49 -1.14 115.11 115.83 2qqt h GLN 128 Ca -0.08 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 58.98 2qqt h GLN 128 Cb 1.07 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.71 2qqt h GLN 128 CO 0.00 0.00 -2.15 0.00 -1.93 0.00 0.00 178.83 174.75 2qqt h GLU 130 N 0.02 0.17 0.02 0.00 4.81 -1.63 -3.27 114.58 114.70 2qqt h GLU 130 Ca -0.46 -0.29 -0.19 0.00 -0.13 0.00 0.00 59.36 58.29 2qqt h GLU 130 Cb 2.05 0.11 0.02 0.00 0.63 0.00 0.00 28.75 31.55 2qqt h GLU 130 CO 0.03 0.94 -0.77 0.93 -0.73 0.00 0.00 179.01 179.41 2qqt h GLU 131 N 0.05 0.49 -0.01 1.92 4.39 -1.46 -3.40 114.58 116.56 2qqt h GLU 131 Ca -0.35 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 58.80 2qqt h GLU 131 Cb 2.03 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.84 2qqt h GLU 131 CO 0.10 1.19 -0.15 0.66 -1.16 0.00 0.00 179.01 179.64 2qqt n TYR 132 N -4.10 0.00 -2.94 4.33 4.02 -1.25 -5.01 117.16 112.22 2qqt n TYR 132 Ca -0.11 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.58 2qqt n TYR 132 Cb 0.76 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 40.08 2qqt n TYR 132 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2qqt s ILE 134 N -2.92 4.67 0.25 0.00 -1.09 -1.22 -4.91 121.20 115.98 2qqt s ILE 134 Ca 0.23 1.63 -0.30 0.00 -2.23 0.00 0.00 60.65 59.98 2qqt s ILE 134 Cb -0.11 -4.28 -0.09 0.00 -1.58 0.00 0.00 42.46 36.39 2qqt s ILE 134 CO 0.28 -0.30 1.33 -1.58 -1.23 0.00 0.00 174.94 173.45 2qqt s GLN 135 N 3.25 4.36 0.00 2.79 0.74 -1.26 -4.76 119.66 124.79 2qqt s GLN 135 Ca 0.40 2.14 0.00 0.00 0.05 0.00 0.00 55.36 57.95 2qqt s GLN 135 Cb -0.14 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 30.83 2qqt s GLN 135 CO 0.11 -0.25 0.00 0.41 -0.55 0.00 0.00 175.29 175.01 2qqt n GLY 136 N 1.91 2.17 7.00 2.59 0.00 -0.58 -5.03 105.19 113.25 2qqt n GLY 136 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2qqt n GLY 136 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qqt n ASP 137 N 0.00 0.00 -0.05 1.61 8.00 -1.26 -0.47 116.55 124.38 2qqt n ASP 137 Ca 0.00 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.57 2qqt n ASP 137 Cb 0.00 0.00 0.40 0.00 -0.02 0.00 0.00 41.12 41.50 2qqt n ASP 137 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2qqt n ASN 138 N 3.37 0.15 -4.51 -2.24 3.02 -1.26 -4.62 115.26 109.17 2qqt n ASN 138 Ca 0.00 -1.59 -0.41 0.00 -0.03 0.00 0.00 54.58 52.55 2qqt n ASN 138 Cb 0.00 -0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.05 2qqt n ASN 138 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qqt n PHE 140 N 5.11 0.76 -1.78 0.00 7.35 -0.70 -1.52 117.46 126.67 2qqt n PHE 140 Ca -0.12 -3.71 -0.38 0.00 -0.76 0.00 0.00 57.45 52.48 2qqt n PHE 140 Cb 0.49 -0.16 0.04 0.00 0.35 0.00 0.00 39.48 40.21 2qqt n PHE 140 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2qqt s PRO 141 N -0.80 3.06 -0.52 -7.13 0.04 -1.26 -4.41 135.00 123.97 2qqt s PRO 141 Ca 0.32 2.21 -0.19 0.00 0.04 0.00 0.00 61.00 63.37 2qqt s PRO 141 Cb 0.05 -2.20 0.06 0.00 0.04 0.00 0.00 34.50 32.46 2qqt s PRO 141 CO -0.16 -1.24 0.65 0.42 0.04 0.00 0.00 177.00 176.71 2qqt s ILE 142 N -1.32 4.84 0.52 0.56 1.01 -0.46 -4.93 121.20 121.42 2qqt s ILE 142 Ca 0.73 -0.55 -0.20 0.00 0.00 0.00 0.00 60.65 60.63 2qqt s ILE 142 Cb -0.40 -4.34 -0.07 0.00 0.01 0.00 0.00 42.46 37.66 2qqt s ILE 142 CO 0.46 -0.87 1.10 -0.04 0.00 0.00 0.00 174.94 175.59 2qqt s MET 143 N 2.69 3.52 -0.10 2.79 -1.94 -1.26 -1.18 119.30 123.83 2qqt s MET 143 Ca 0.15 1.54 -0.16 0.00 -1.71 0.00 0.00 55.69 55.51 2qqt s MET 143 Cb -0.20 -2.06 -0.05 0.00 2.01 0.00 0.00 34.83 34.53 2qqt s MET 143 CO 0.11 -0.70 0.42 -0.06 -0.01 0.00 0.00 175.02 174.79 2qqt s PHE 144 N -1.82 3.56 0.67 -0.03 2.99 -0.87 -4.60 117.98 117.87 2qqt s PHE 144 Ca 0.70 0.85 -0.12 0.00 0.00 0.00 0.00 56.93 58.37 2qqt s PHE 144 Cb -0.22 -2.44 -0.00 0.00 0.00 0.00 0.00 43.02 40.36 2qqt s PHE 144 CO 0.25 0.31 1.06 -1.25 -0.00 0.00 0.00 175.22 175.59 2qqt s PRO 145 N 0.15 3.04 0.46 0.24 0.04 -1.26 -4.97 135.00 132.69 2qqt s PRO 145 Ca 0.23 1.03 -0.25 0.00 0.04 0.00 0.00 61.00 62.05 2qqt s PRO 145 Cb -0.15 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 2qqt s PRO 145 CO 0.10 -1.02 1.44 0.21 0.04 0.00 0.00 177.00 177.76 2qqt s LYS 146 N -4.76 3.65 0.00 4.56 2.20 -1.26 -2.22 119.74 121.92 2qqt s LYS 146 Ca 0.60 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 58.65 2qqt s LYS 146 Cb -0.15 -2.64 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 2qqt s LYS 146 CO 0.50 -0.85 0.00 0.09 -0.36 0.00 0.00 175.35 174.72 2qqt n ASN 147 N -0.23 0.00 -4.71 1.43 5.03 -1.26 -5.04 115.26 110.49 2qqt n ASN 147 Ca 0.05 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.08 2qqt n ASN 147 Cb 0.42 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.15 2qqt n ASN 147 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2qqt s ASP 148 N -3.28 6.65 0.60 6.41 -1.08 -0.94 -4.89 116.67 120.14 2qqt s ASP 148 Ca 0.00 2.49 0.40 0.00 -0.52 0.00 0.00 52.55 54.92 2qqt s ASP 148 Cb 0.00 -2.58 2.06 0.00 -1.46 0.00 0.00 42.92 40.94 2qqt s ASP 148 CO 0.00 -0.81 2.21 -0.65 0.52 0.00 0.00 175.17 176.44 2qqt h PRO 149 N 7.36 0.00 0.00 4.34 0.11 -1.96 -1.44 132.00 140.42 2qqt h PRO 149 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2qqt h PRO 149 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2qqt h PRO 149 CO 0.91 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 179.57 2qqt h LYS 150 N 0.00 0.00 0.33 1.05 1.57 -1.94 -3.10 116.57 114.48 2qqt h LYS 150 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2qqt h LYS 150 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 2qqt h LYS 150 CO 0.00 0.00 -0.22 -0.07 -0.57 0.00 0.00 179.45 178.59 2qqt h LEU 151 N 0.00 -0.56 -1.93 2.94 3.38 -1.42 1.57 115.31 119.30 2qqt h LEU 151 Ca 0.00 0.03 0.28 0.00 0.09 0.00 0.00 57.88 58.28 2qqt h LEU 151 Cb 0.64 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 2qqt h LEU 151 CO 0.00 -0.33 0.69 0.11 0.09 0.00 0.00 178.44 179.00 2qqt h LYS 152 N -0.52 0.05 0.00 1.13 1.57 -1.69 -3.15 116.57 113.96 2qqt h LYS 152 Ca -0.04 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2qqt h LYS 152 Cb 0.42 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2qqt h LYS 152 CO 0.04 0.03 -0.46 -2.37 -0.57 0.00 0.00 179.45 176.11 2qqt n THR 153 N -4.28 0.00 0.00 -0.16 5.66 -1.03 -4.89 114.28 109.57 2qqt n THR 153 Ca 0.21 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.88 2qqt n THR 153 Cb 1.01 0.85 0.00 0.00 -1.55 0.00 0.00 70.33 70.64 2qqt n THR 153 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qqt n GLN 154 N -1.25 0.54 -2.25 1.09 6.02 0.53 -5.05 117.38 117.02 2qqt n GLN 154 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2qqt n GLN 154 Cb 0.08 -0.84 0.00 0.00 1.02 0.00 0.00 30.24 30.50 2qqt n GLN 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qqt n GLY 155 N 2.73 0.15 0.03 1.08 0.00 -1.06 -4.91 105.19 103.21 2qqt n GLY 155 Ca 0.00 -1.45 0.11 0.00 0.00 0.00 0.00 46.02 44.68 2qqt n GLY 155 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qqt n LYS 156 N 0.00 0.33 -3.84 1.61 4.76 -1.26 -4.16 118.16 115.61 2qqt n LYS 156 Ca 0.00 -0.04 -0.09 0.00 -2.87 0.00 0.00 58.31 55.31 2qqt n LYS 156 Cb 0.00 -1.58 0.01 0.00 -1.84 0.00 0.00 35.03 31.63 2qqt n LYS 156 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qqt s MET 158 N -2.49 3.17 0.72 0.00 1.75 -0.32 -4.97 119.30 117.16 2qqt s MET 158 Ca 0.16 -0.75 -0.15 0.00 -1.25 0.00 0.00 55.69 53.71 2qqt s MET 158 Cb -0.05 -2.72 0.03 0.00 2.84 0.00 0.00 34.83 34.94 2qqt s MET 158 CO 0.12 -0.15 1.21 -1.25 -0.65 0.00 0.00 175.02 174.30 2qqt s PRO 159 N 1.23 2.18 -0.28 4.11 0.04 -1.26 -1.35 135.00 139.66 2qqt s PRO 159 Ca 0.03 1.78 -0.20 0.00 0.04 0.00 0.00 61.00 62.65 2qqt s PRO 159 Cb -0.14 -1.84 0.10 0.00 0.04 0.00 0.00 34.50 32.67 2qqt s PRO 159 CO -0.07 -1.81 0.83 0.12 0.04 0.00 0.00 177.00 176.11 2qqt s PHE 160 N -1.93 -0.78 -0.05 0.56 5.36 -1.26 -4.78 117.98 115.10 2qqt s PHE 160 Ca 0.75 1.68 0.06 0.00 -0.96 0.00 0.00 56.93 58.46 2qqt s PHE 160 Cb -0.30 0.44 -0.02 0.00 -0.34 0.00 0.00 43.02 42.80 2qqt s PHE 160 CO 0.45 -0.38 -0.21 -0.06 -1.46 0.00 0.00 175.22 173.55 2qqt s PHE 161 N 1.02 2.50 0.62 10.12 0.40 -1.26 -1.73 117.98 129.66 2qqt s PHE 161 Ca -0.05 -0.44 -0.18 0.00 -0.60 0.00 0.00 56.93 55.66 2qqt s PHE 161 Cb -0.05 -1.59 -0.02 0.00 0.51 0.00 0.00 43.02 41.87 2qqt s PHE 161 CO -0.11 -0.03 1.21 1.03 0.70 0.00 0.00 175.22 178.01 2qqt s ARG 162 N -0.46 2.82 0.53 0.44 0.52 -0.07 -4.71 118.95 118.01 2qqt s ARG 162 Ca 0.05 1.80 -0.19 0.00 -0.52 0.00 0.00 55.73 56.87 2qqt s ARG 162 Cb -0.12 -1.91 -0.07 0.00 0.52 0.00 0.00 34.95 33.38 2qqt s ARG 162 CO 0.01 -1.32 1.09 0.00 0.02 0.00 0.00 175.30 175.10 2qqt s ALA 163 N -1.69 2.76 0.81 2.13 0.00 -1.26 -1.68 121.76 122.83 2qqt s ALA 163 Ca 0.77 0.71 -0.12 0.00 0.00 0.00 0.00 51.96 53.31 2qqt s ALA 163 Cb -0.30 -3.31 0.08 0.00 0.00 0.00 0.00 23.12 19.60 2qqt s ALA 163 CO 0.36 -0.60 1.14 0.20 0.00 0.00 0.00 175.76 176.86 2qqt s GLY 164 N -1.93 1.90 0.27 0.00 0.00 -0.40 -4.69 107.32 102.46 2qqt s GLY 164 Ca 0.70 0.58 0.02 0.00 0.00 0.00 0.00 44.72 46.02 2qqt s GLY 164 CO 0.25 0.97 0.16 -0.11 0.00 0.00 0.00 173.10 174.37 2qqt s PHE 165 N -2.52 1.49 0.00 1.90 -0.12 -1.26 -2.65 117.98 114.82 2qqt s PHE 165 Ca 0.67 -1.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.15 2qqt s PHE 165 Cb -0.23 -0.75 0.00 0.00 -0.63 0.00 0.00 43.02 41.41 2qqt s PHE 165 CO 0.53 -0.59 0.00 1.33 -0.05 0.00 0.00 175.22 176.43 2qqt n VAL 166 N -0.49 0.00 0.00 -2.49 0.24 -0.84 -4.41 118.33 110.34 2qqt n VAL 166 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 2qqt n VAL 166 Cb 0.65 -1.19 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 2qqt n VAL 166 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qqt n PRO 168 N 14.00 0.00 0.00 0.00 -0.02 -1.26 -4.68 135.00 143.04 2qqt n PRO 168 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2qqt n PRO 168 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2qqt n PRO 168 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2qqt n THR 169 N 0.00 0.00 0.00 3.45 5.66 -1.26 -4.78 114.28 117.35 2qqt n THR 169 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2qqt n THR 169 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2qqt n THR 169 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 2qqt n PRO 170 N 0.00 3.31 -2.38 1.09 -0.02 -1.26 -4.87 135.00 130.87 2qqt n PRO 170 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.10 2qqt n PRO 170 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.45 2qqt n PRO 170 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2qqt s PRO 171 N 0.00 3.11 0.43 0.52 0.02 -1.26 -5.01 135.00 132.82 2qqt s PRO 171 Ca 0.00 -0.36 0.01 0.00 0.02 0.00 0.00 61.00 60.67 2qqt s PRO 171 Cb 0.00 -4.71 -0.00 0.00 0.02 0.00 0.00 34.50 29.80 2qqt s PRO 171 CO 0.00 -2.47 0.03 0.98 -0.33 0.00 0.00 177.00 175.22 2qqt n TYR 172 N 10.56 0.83 0.00 6.54 9.36 -1.26 -5.12 117.16 138.08 2qqt n TYR 172 Ca 0.21 -2.26 0.00 0.00 3.32 0.00 0.00 57.90 59.17 2qqt n TYR 172 Cb 0.50 -0.23 0.00 0.00 -0.63 0.00 0.00 39.34 38.98 2qqt n TYR 172 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2qqt n GLN 173 N -1.05 0.00 0.00 2.98 10.64 -1.26 -5.12 117.38 123.56 2qqt n GLN 173 Ca -0.16 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.01 2qqt n GLN 173 Cb 0.57 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.95 2qqt n GLN 173 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2qqt n SER 174 N -2.52 0.00 -2.64 2.61 7.64 -1.26 -4.72 113.62 112.74 2qqt n SER 174 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2qqt n SER 174 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2qqt n SER 174 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2qqt n LEU 175 N 0.00 0.00 -4.76 -3.43 0.00 -1.26 -5.01 117.00 102.54 2qqt n LEU 175 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 56.01 55.61 2qqt n LEU 175 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.36 2qqt n LEU 175 CO 0.00 -0.17 0.49 0.00 0.00 0.00 0.00 177.39 177.71 2qqt s ALA 176 N -3.98 3.40 0.02 1.96 0.00 -1.26 -4.82 121.76 117.09 2qqt s ALA 176 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 2qqt s ALA 176 Cb 0.00 -3.00 -0.08 0.00 0.00 0.00 0.00 23.12 20.04 2qqt s ALA 176 CO 0.00 0.18 1.73 0.50 0.00 0.00 0.00 175.76 178.17 2qqt s ARG 177 N -0.65 4.18 -0.14 0.00 3.52 -0.36 -5.00 118.95 120.49 2qqt s ARG 177 Ca 0.38 2.36 0.02 0.00 -0.13 0.00 0.00 55.73 58.35 2qqt s ARG 177 Cb -0.22 -3.84 0.02 0.00 -1.56 0.00 0.00 34.95 29.34 2qqt s ARG 177 CO 0.25 -0.82 -0.19 -1.21 -0.81 0.00 0.00 175.30 172.52 2qqt s GLU 178 N 3.48 2.72 0.86 5.12 0.41 -1.26 -4.99 118.70 125.03 2qqt s GLU 178 Ca 0.77 -0.74 -0.11 0.00 -0.41 0.00 0.00 54.97 54.48 2qqt s GLU 178 Cb -0.39 -2.29 0.11 0.00 -1.78 0.00 0.00 34.13 29.78 2qqt s GLU 178 CO 0.33 -0.10 1.09 -0.65 -0.49 0.00 0.00 175.26 175.44 2qqt s GLN 179 N 1.06 1.55 0.10 1.61 1.11 -1.26 -1.99 119.66 121.84 2qqt s GLN 179 Ca -0.02 0.98 0.01 0.00 0.01 0.00 0.00 55.36 56.33 2qqt s GLN 179 Cb -0.14 -1.83 -0.04 0.00 -1.01 0.00 0.00 33.01 29.99 2qqt s GLN 179 CO -0.06 -2.08 0.24 0.42 0.01 0.00 0.00 175.29 173.82 2qqt s ILE 180 N -2.90 5.36 -0.27 1.08 1.01 -1.09 -1.93 121.20 122.46 2qqt s ILE 180 Ca 0.63 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.78 2qqt s ILE 180 Cb -0.18 -3.68 0.05 0.00 0.01 0.00 0.00 42.46 38.67 2qqt s ILE 180 CO 0.57 0.04 -0.07 0.21 0.00 0.00 0.00 174.94 175.69 2qqt s ASN 181 N -2.82 4.60 0.00 3.58 3.84 0.73 -3.95 114.94 120.92 2qqt s ASN 181 Ca 0.35 -1.32 0.28 0.00 0.21 0.00 0.00 52.86 52.38 2qqt s ASN 181 Cb -0.12 -1.62 1.52 0.00 -0.55 0.00 0.00 41.25 40.48 2qqt s ASN 181 CO 0.28 -0.21 2.00 0.00 -2.79 0.00 0.00 177.10 176.38 2qqt n ALA 182 N 4.52 2.64 -2.42 1.71 0.00 0.46 -0.15 120.51 127.28 2qqt n ALA 182 Ca -0.14 -0.24 -0.21 0.00 0.00 0.00 0.00 53.44 52.85 2qqt n ALA 182 Cb 0.43 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.39 2qqt n ALA 182 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2qqt s VAL 183 N -1.99 1.32 0.44 0.00 -7.23 -1.26 -4.12 120.40 107.57 2qqt s VAL 183 Ca 0.41 -2.05 -0.24 0.00 -1.81 0.00 0.00 61.98 58.29 2qqt s VAL 183 Cb 0.20 -2.58 -0.08 0.00 0.56 0.00 0.00 36.38 34.48 2qqt s VAL 183 CO 0.32 -0.18 1.20 0.42 -0.31 0.00 0.00 175.10 176.55 2qqt s THR 184 N -3.22 2.98 0.01 5.32 -4.23 -1.26 -4.16 115.64 111.08 2qqt s THR 184 Ca 0.32 0.78 0.12 0.00 -1.18 0.00 0.00 61.69 61.73 2qqt s THR 184 Cb 0.06 -3.41 -0.03 0.00 1.34 0.00 0.00 72.50 70.46 2qqt s THR 184 CO 0.13 0.03 1.43 0.28 -0.54 0.00 0.00 174.62 175.94 2qqt h SER 185 N 2.24 0.00 -4.11 3.99 0.02 -1.41 -3.40 113.55 110.88 2qqt h SER 185 Ca -0.49 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 59.94 2qqt h SER 185 Cb 1.25 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.89 2qqt h SER 185 CO 0.61 0.68 0.45 -0.36 -1.14 0.00 0.00 176.83 177.06 2qqt s PHE 186 N -2.98 2.47 -0.97 3.45 0.40 -1.26 -4.79 117.98 114.29 2qqt s PHE 186 Ca 0.02 1.53 -0.21 0.00 -0.60 0.00 0.00 56.93 57.67 2qqt s PHE 186 Cb 0.09 -3.40 0.08 0.00 0.51 0.00 0.00 43.02 40.31 2qqt s PHE 186 CO 0.77 -2.00 1.30 -1.17 0.70 0.00 0.00 175.22 174.82 2qqt s LEU 187 N -4.14 4.17 -0.00 -0.37 0.20 -1.26 -4.74 118.68 112.53 2qqt s LEU 187 Ca 0.75 -1.68 0.00 0.00 0.69 0.00 0.00 54.13 53.89 2qqt s LEU 187 Cb -0.27 -2.50 0.01 0.00 -0.43 0.00 0.00 46.19 43.00 2qqt s LEU 187 CO 0.33 -1.32 0.82 -0.90 -0.29 0.00 0.00 176.35 174.98 2qqt n ASP 188 N 7.89 1.25 -0.76 3.68 5.68 -1.26 -4.75 116.55 128.28 2qqt n ASP 188 Ca 0.28 -1.65 -0.08 0.00 -0.50 0.00 0.00 54.79 52.84 2qqt n ASP 188 Cb 0.50 -0.01 -0.02 0.00 -1.14 0.00 0.00 41.12 40.45 2qqt n ASP 188 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qqt n ALA 189 N -0.33 -0.18 0.22 2.12 0.00 -1.26 -4.68 120.51 116.40 2qqt n ALA 189 Ca 0.00 0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.61 2qqt n ALA 189 Cb 0.35 -1.11 0.36 0.00 0.00 0.00 0.00 19.45 19.06 2qqt n ALA 189 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qqt n SER 190 N 0.62 0.34 0.19 0.00 3.41 -1.26 -1.31 113.62 115.61 2qqt n SER 190 Ca -0.09 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.27 2qqt n SER 190 Cb 0.43 -0.69 0.13 0.00 -0.26 0.00 0.00 64.21 63.83 2qqt n SER 190 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 2qqt h LEU 191 N 0.00 0.00 0.00 1.04 -0.00 -1.85 0.47 115.31 114.97 2qqt h LEU 191 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.72 2qqt h LEU 191 Cb 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.75 2qqt h LEU 191 CO 0.00 0.02 -0.88 0.58 -0.00 0.00 0.00 178.44 178.16 2qqt h VAL 192 N 0.00 1.07 0.00 0.15 2.07 -1.49 -2.14 116.25 115.92 2qqt h VAL 192 Ca -0.00 -2.14 -0.00 0.00 0.82 0.00 0.00 66.70 65.38 2qqt h VAL 192 Cb 1.02 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 33.14 2qqt h VAL 192 CO 0.00 0.36 -1.00 1.88 0.02 0.00 0.00 177.57 178.83 2qqt h TYR 193 N -1.00 0.00 0.00 1.57 -1.99 -1.57 -2.75 116.97 111.23 2qqt h TYR 193 Ca -0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.49 2qqt h TYR 193 Cb 1.16 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.89 2qqt h TYR 193 CO 0.13 0.02 0.00 0.41 -0.00 0.00 0.00 178.16 178.71 2qqt n GLY 194 N 1.19 1.91 0.14 3.88 0.00 0.16 -3.58 105.19 108.88 2qqt n GLY 194 Ca -0.00 -1.95 0.01 0.00 0.00 0.00 0.00 46.02 44.08 2qqt n GLY 194 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qqt n SER 195 N 0.00 2.12 -4.23 1.61 7.64 -1.26 -4.73 113.62 114.77 2qqt n SER 195 Ca 0.00 -1.92 -0.19 0.00 1.01 0.00 0.00 58.87 57.78 2qqt n SER 195 Cb 0.00 -0.05 -0.11 0.00 -1.01 0.00 0.00 64.21 63.04 2qqt n SER 195 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2qqt s GLU 196 N -0.93 0.99 0.00 1.43 2.02 -1.26 -4.08 118.70 116.87 2qqt s GLU 196 Ca 0.05 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 53.88 2qqt s GLU 196 Cb 0.03 -0.96 0.00 0.00 0.10 0.00 0.00 34.13 33.30 2qqt s GLU 196 CO 0.04 0.20 0.00 -2.30 0.02 0.00 0.00 175.26 173.21 2qqt n PRO 197 N 0.79 0.00 0.00 0.39 -0.02 -1.26 -1.76 135.00 133.14 2qqt n PRO 197 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2qqt n PRO 197 Cb 0.56 -0.98 0.00 0.00 -0.02 0.00 0.00 33.50 33.06 2qqt n PRO 197 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2qqt n LEU 199 N -0.25 0.00 -0.33 2.45 7.94 -1.26 -1.93 117.00 123.63 2qqt n LEU 199 Ca 0.00 0.00 0.28 0.00 -1.11 0.00 0.00 56.01 55.18 2qqt n LEU 199 Cb 0.00 0.00 0.53 0.00 0.53 0.00 0.00 43.42 44.48 2qqt n LEU 199 CO 0.00 0.00 1.06 0.00 -1.11 0.00 0.00 177.39 177.34 2qqt h ALA 200 N 0.00 2.03 -0.08 1.96 0.00 -1.40 -2.04 119.26 119.73 2qqt h ALA 200 Ca 0.00 0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2qqt h ALA 200 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2qqt h ALA 200 CO 0.00 -0.80 -0.14 1.03 0.00 0.00 0.00 179.25 179.34 2qqt h SER 201 N 0.11 0.26 0.36 0.00 0.87 -1.64 -3.16 113.55 110.34 2qqt h SER 201 Ca 0.79 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2qqt h SER 201 Cb 1.99 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.87 2qqt h SER 201 CO -0.72 0.76 0.00 -0.09 -0.53 0.00 0.00 176.83 176.25 2qqt h ARG 202 N -0.23 0.00 0.00 2.24 2.43 -1.67 -1.73 114.38 115.42 2qqt h ARG 202 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 2qqt h ARG 202 Cb 0.71 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 2qqt h ARG 202 CO 0.03 0.00 -1.04 -0.07 -1.51 0.00 0.00 179.97 177.38 2qqt h LEU 203 N 0.00 0.00-10.20 3.80 4.07 -1.41 -3.47 115.31 108.10 2qqt h LEU 203 Ca 0.00 0.00 -0.48 0.00 0.08 0.00 0.00 57.88 57.48 2qqt h LEU 203 Cb 0.18 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.94 2qqt h LEU 203 CO 0.00 0.17 0.30 -0.13 -1.08 0.00 0.00 178.44 177.70 2qqt s ARG 204 N -3.22 3.85 -0.83 1.13 0.52 -0.65 -0.46 118.95 119.29 2qqt s ARG 204 Ca -0.01 0.77 -0.15 0.00 -0.52 0.00 0.00 55.73 55.82 2qqt s ARG 204 Cb 0.09 -2.21 0.19 0.00 0.52 0.00 0.00 34.95 33.54 2qqt s ARG 204 CO 0.79 -0.23 0.82 1.21 0.02 0.00 0.00 175.30 177.91 2qqt s ASN 205 N -3.25 6.69 -0.05 0.23 3.84 0.41 -4.28 114.94 118.53 2qqt s ASN 205 Ca 0.56 -2.47 0.13 0.00 0.21 0.00 0.00 52.86 51.29 2qqt s ASN 205 Cb -0.10 -2.25 0.45 0.00 -0.55 0.00 0.00 41.25 38.80 2qqt s ASN 205 CO 0.34 -0.71 1.33 0.18 -2.79 0.00 0.00 177.10 175.46 2qqt n LEU 206 N 4.64 3.00 -0.91 3.21 4.77 -1.26 -3.88 117.00 126.57 2qqt n LEU 206 Ca 0.14 -1.51 0.10 0.00 -0.03 0.00 0.00 56.01 54.70 2qqt n LEU 206 Cb 0.47 -0.41 0.26 0.00 -2.33 0.00 0.00 43.42 41.41 2qqt n LEU 206 CO 0.39 0.59 0.71 -1.20 -1.33 0.00 0.00 177.39 176.55 2qqt n SER 207 N 0.74 2.69 -3.56 -1.43 7.64 -1.26 -4.88 113.62 113.56 2qqt n SER 207 Ca 0.16 -1.94 -0.16 0.00 1.01 0.00 0.00 58.87 57.95 2qqt n SER 207 Cb 0.54 -0.28 -0.06 0.00 -1.01 0.00 0.00 64.21 63.40 2qqt n SER 207 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2qqt s SER 208 N -1.22 -0.64 -0.04 6.43 1.04 -1.25 -5.07 113.70 112.95 2qqt s SER 208 Ca 0.35 0.86 -0.00 0.00 0.48 0.00 0.00 55.95 57.65 2qqt s SER 208 Cb 0.19 0.75 0.03 0.00 0.10 0.00 0.00 66.02 67.09 2qqt s SER 208 CO 0.26 -0.48 1.73 -0.81 0.98 0.00 0.00 173.24 174.93 2qqt n PRO 209 N 1.37 1.10 0.00 4.02 -0.04 -1.26 -4.19 135.00 136.00 2qqt n PRO 209 Ca -0.17 -0.21 0.09 0.00 -0.04 0.00 0.00 63.50 63.17 2qqt n PRO 209 Cb 0.57 -1.08 -0.09 0.00 -0.04 0.00 0.00 33.50 32.85 2qqt n PRO 209 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2qqt n LEU 210 N 1.07 0.94 -1.94 1.53 4.77 -1.26 -3.69 117.00 118.42 2qqt n LEU 210 Ca 0.04 -0.52 -0.14 0.00 -0.03 0.00 0.00 56.01 55.36 2qqt n LEU 210 Cb 0.53 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.64 2qqt n LEU 210 CO 0.05 0.22 -0.01 0.61 -1.33 0.00 0.00 177.39 176.93 2qqt n GLY 211 N 1.41 -0.07 3.96 -0.72 0.00 -1.26 -4.70 105.19 103.82 2qqt n GLY 211 Ca 0.04 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 2qqt n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qqt s LEU 212 N -4.32 4.22 0.31 0.99 1.43 -1.26 -3.92 118.68 116.14 2qqt s LEU 212 Ca 0.18 0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 53.32 2qqt s LEU 212 Cb -0.08 -2.98 -0.08 0.00 0.03 0.00 0.00 46.19 43.08 2qqt s LEU 212 CO 0.22 -0.14 0.69 -0.04 0.23 0.00 0.00 176.35 177.30 2qqt s MET 213 N -4.08 3.89 0.41 1.70 -1.94 -1.26 -0.44 119.30 117.57 2qqt s MET 213 Ca 0.36 0.49 -0.26 0.00 -1.71 0.00 0.00 55.69 54.58 2qqt s MET 213 Cb -0.09 -2.49 -0.08 0.00 2.01 0.00 0.00 34.83 34.18 2qqt s MET 213 CO 0.31 0.16 1.29 0.00 -0.01 0.00 0.00 175.02 176.77 2qqt s ALA 214 N -2.03 3.23 0.23 3.03 0.00 0.39 -4.51 121.76 122.11 2qqt s ALA 214 Ca 0.51 1.21 0.09 0.00 0.00 0.00 0.00 51.96 53.77 2qqt s ALA 214 Cb -0.10 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 2qqt s ALA 214 CO 0.22 -0.82 -0.16 0.14 0.00 0.00 0.00 175.76 175.14 2qqt s VAL 215 N -1.28 1.97 0.49 0.00 -7.23 -1.26 -4.35 120.40 108.73 2qqt s VAL 215 Ca 0.58 -2.27 -0.23 0.00 -1.81 0.00 0.00 61.98 58.24 2qqt s VAL 215 Cb -0.37 -2.14 -0.07 0.00 0.56 0.00 0.00 36.38 34.35 2qqt s VAL 215 CO 0.48 -0.52 1.29 -3.20 -0.31 0.00 0.00 175.10 172.83 2qqt n ASN 216 N -0.47 2.48 -0.07 4.85 2.85 -0.42 -4.67 115.26 119.83 2qqt n ASN 216 Ca -0.07 1.03 0.02 0.00 -0.11 0.00 0.00 54.58 55.45 2qqt n ASN 216 Cb 0.60 -1.53 -0.01 0.00 1.24 0.00 0.00 39.78 40.08 2qqt n ASN 216 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2qqt n GLN 217 N -0.49 3.67 -0.03 1.20 1.13 -1.26 -4.65 117.38 116.95 2qqt n GLN 217 Ca 0.09 -0.25 -0.08 0.00 -1.94 0.00 0.00 57.00 54.81 2qqt n GLN 217 Cb 0.42 -0.84 -0.14 0.00 0.11 0.00 0.00 30.24 29.79 2qqt n GLN 217 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2qqt n GLU 218 N -0.68 0.64 -3.92 -1.09 -0.58 -1.26 -4.95 120.64 108.80 2qqt n GLU 218 Ca 0.02 0.25 -0.10 0.00 -0.42 0.00 0.00 57.16 56.91 2qqt n GLU 218 Cb 0.09 -1.76 -0.11 0.00 -0.57 0.00 0.00 31.44 29.10 2qqt n GLU 218 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qqt s ALA 219 N -2.61 -0.12 0.18 0.62 0.00 -1.26 -5.15 121.76 113.41 2qqt s ALA 219 Ca -0.05 -0.31 0.07 0.00 0.00 0.00 0.00 51.96 51.66 2qqt s ALA 219 Cb 0.08 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 2qqt s ALA 219 CO 0.83 -0.18 -0.13 -1.58 0.00 0.00 0.00 175.76 174.70 2qqt s TRP 220 N -1.33 1.54 -0.59 0.00 0.52 -1.26 -4.61 118.94 113.21 2qqt s TRP 220 Ca -0.14 -0.62 0.01 0.00 0.02 0.00 0.00 56.10 55.37 2qqt s TRP 220 Cb -0.08 -0.75 0.15 0.00 -1.15 0.00 0.00 33.47 31.64 2qqt s TRP 220 CO 0.00 0.25 0.36 0.34 0.02 0.00 0.00 176.95 177.92 2qqt s ASP 221 N -3.13 4.74 -1.42 2.95 2.15 0.65 -4.70 116.67 117.90 2qqt s ASP 221 Ca 0.19 -3.04 -0.09 0.00 0.43 0.00 0.00 52.55 50.04 2qqt s ASP 221 Cb -0.01 -1.73 0.05 0.00 -0.30 0.00 0.00 42.92 40.93 2qqt s ASP 221 CO 0.04 -0.27 0.97 1.41 -0.17 0.00 0.00 175.17 177.15 2qqt n HIS 222 N 3.14 -2.34 0.00 -5.34 8.25 -1.26 -0.67 115.22 117.01 2qqt n HIS 222 Ca 0.08 0.92 0.00 0.00 -0.26 0.00 0.00 57.72 58.45 2qqt n HIS 222 Cb 0.34 -4.38 0.00 0.00 1.12 0.00 0.00 29.99 27.08 2qqt n HIS 222 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qqt n GLY 223 N -1.70 3.08 3.83 -1.41 0.00 -1.26 -5.02 105.19 102.71 2qqt n GLY 223 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 2qqt n GLY 223 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qqt s LEU 224 N 0.00 3.94 0.80 0.99 1.43 0.16 -5.05 118.68 120.96 2qqt s LEU 224 Ca 0.00 1.54 -0.11 0.00 -1.03 0.00 0.00 54.13 54.53 2qqt s LEU 224 Cb 0.00 -4.39 0.07 0.00 0.03 0.00 0.00 46.19 41.90 2qqt s LEU 224 CO 0.00 -0.34 1.09 0.00 0.23 0.00 0.00 176.35 177.33 2qqt s ALA 225 N -2.17 2.17 0.12 4.21 0.00 -1.26 -0.25 121.76 124.57 2qqt s ALA 225 Ca 0.59 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.50 2qqt s ALA 225 Cb -0.09 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 2qqt s ALA 225 CO 0.17 -1.79 -0.14 0.71 0.00 0.00 0.00 175.76 174.71 2qqt s TYR 226 N -3.08 1.38 0.59 0.00 4.12 -1.26 -4.73 117.35 114.37 2qqt s TYR 226 Ca 0.61 -0.57 -0.18 0.00 0.02 0.00 0.00 57.07 56.95 2qqt s TYR 226 Cb -0.15 -0.72 -0.04 0.00 -1.52 0.00 0.00 41.96 39.53 2qqt s TYR 226 CO 0.55 0.14 1.14 -0.51 0.02 0.00 0.00 175.55 176.89 2qqt s LEU 227 N -2.50 3.63 0.81 -1.29 1.43 -1.26 -1.30 118.68 118.20 2qqt s LEU 227 Ca 0.09 2.19 -0.11 0.00 -1.03 0.00 0.00 54.13 55.27 2qqt s LEU 227 Cb -0.04 -4.58 0.08 0.00 0.03 0.00 0.00 46.19 41.68 2qqt s LEU 227 CO 0.03 -1.44 1.11 -2.16 0.23 0.00 0.00 176.35 174.12 2qqt s PRO 228 N -3.51 1.89 0.55 1.29 0.04 -1.26 -3.99 135.00 130.01 2qqt s PRO 228 Ca 0.72 1.30 -0.15 0.00 0.04 0.00 0.00 61.00 62.91 2qqt s PRO 228 Cb -0.25 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 2qqt s PRO 228 CO 0.32 -1.94 1.01 -0.06 0.04 0.00 0.00 177.00 176.37 2qqt s PHE 229 N -2.80 3.39 -0.09 0.56 0.08 -1.26 -0.22 117.98 117.64 2qqt s PHE 229 Ca 0.63 1.44 -0.19 0.00 0.12 0.00 0.00 56.93 58.93 2qqt s PHE 229 Cb -0.19 -2.82 -0.04 0.00 -0.57 0.00 0.00 43.02 39.40 2qqt s PHE 229 CO 0.56 -0.58 0.54 1.21 -0.10 0.00 0.00 175.22 176.85 2qqt s ASN 230 N -3.24 6.79 0.13 1.36 3.84 0.04 -4.36 114.94 119.50 2qqt s ASN 230 Ca 0.59 0.95 -0.32 0.00 0.21 0.00 0.00 52.86 54.29 2qqt s ASN 230 Cb -0.11 -2.32 -0.10 0.00 -0.55 0.00 0.00 41.25 38.17 2qqt s ASN 230 CO 0.37 0.00 1.56 -1.13 -2.79 0.00 0.00 177.10 175.11 2qqt h ASN 231 N 6.50 -1.69 -1.43 -4.21 -0.73 -1.95 -3.45 115.58 108.62 2qqt h ASN 231 Ca -0.42 0.22 -0.65 0.00 1.87 0.00 0.00 56.30 57.32 2qqt h ASN 231 Cb 1.19 0.68 -0.01 0.00 0.27 0.00 0.00 38.32 40.45 2qqt h ASN 231 CO 0.74 -0.44 1.35 1.17 -0.37 0.00 0.00 177.43 179.88 2qqt n LYS 232 N -5.42 1.42 -4.37 6.67 4.81 -1.26 -5.03 118.16 114.98 2qqt n LYS 232 Ca -0.04 0.43 -0.32 0.00 -0.87 0.00 0.00 58.31 57.50 2qqt n LYS 232 Cb 0.36 -2.62 -0.10 0.00 0.02 0.00 0.00 35.03 32.70 2qqt n LYS 232 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2qqt s LYS 233 N 5.75 2.63 0.17 1.64 1.02 -1.26 -3.77 119.74 125.91 2qqt s LYS 233 Ca 1.05 -0.69 -0.31 0.00 0.02 0.00 0.00 55.97 56.03 2qqt s LYS 233 Cb -0.75 -2.56 -0.09 0.00 -0.52 0.00 0.00 37.83 33.91 2qqt s LYS 233 CO 0.48 0.61 1.46 -1.25 -0.92 0.00 0.00 175.35 175.73 2qqt s PRO 234 N -1.52 4.27 -0.13 -1.68 0.04 -1.26 -5.17 135.00 129.56 2qqt s PRO 234 Ca 0.18 2.23 -0.05 0.00 0.04 0.00 0.00 61.00 63.41 2qqt s PRO 234 Cb -0.11 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 2qqt s PRO 234 CO 0.09 -0.49 0.06 0.45 0.04 0.00 0.00 177.00 177.15 2qqt s SER 235 N 0.91 5.65 0.17 6.66 0.15 -1.25 -5.00 113.70 120.99 2qqt s SER 235 Ca 0.65 0.20 0.07 0.00 0.70 0.00 0.00 55.95 57.57 2qqt s SER 235 Cb -0.41 -1.79 -0.00 0.00 -1.71 0.00 0.00 66.02 62.11 2qqt s SER 235 CO 0.34 0.32 1.40 -0.65 1.20 0.00 0.00 173.24 175.84 2qqt h PRO 236 N 5.63 0.04 0.00 5.44 0.11 -1.91 -2.96 132.00 138.35 2qqt h PRO 236 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2qqt h PRO 236 Cb 1.19 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qqt h PRO 236 CO 0.61 0.88 0.00 0.00 -0.21 0.00 0.00 178.00 179.27 2qqt n GLU 238 N -2.82 0.40 0.07 0.00 0.28 -1.18 -4.23 120.64 113.16 2qqt n GLU 238 Ca -0.00 -0.12 -0.04 0.00 -0.16 0.00 0.00 57.16 56.84 2qqt n GLU 238 Cb 0.21 -1.52 0.15 0.00 1.43 0.00 0.00 31.44 31.72 2qqt n GLU 238 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2qqt h PHE 239 N 0.00 0.36 0.00 -1.84 3.57 -1.13 -2.86 116.94 115.03 2qqt h PHE 239 Ca 0.00 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.38 2qqt h PHE 239 Cb 0.81 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.47 2qqt h PHE 239 CO 0.00 0.74 0.00 -0.84 -2.23 0.00 0.00 178.31 175.98 2qqt h ILE 240 N 0.23 0.00 -1.27 1.41 -0.00 -1.70 -3.36 117.51 112.83 2qqt h ILE 240 Ca 0.01 -0.38 -0.22 0.00 -0.00 0.00 0.00 64.86 64.26 2qqt h ILE 240 Cb 0.98 1.25 -0.21 0.00 -0.00 0.00 0.00 36.82 38.84 2qqt h ILE 240 CO 0.08 0.00 -0.57 0.21 -0.00 0.00 0.00 178.15 177.87 2qqt s ASN 241 N -4.88 -0.87 0.00 2.16 3.84 -1.18 -5.02 114.94 108.99 2qqt s ASN 241 Ca 0.04 -1.83 0.03 0.00 0.21 0.00 0.00 52.86 51.31 2qqt s ASN 241 Cb 0.09 1.47 0.20 0.00 -0.55 0.00 0.00 41.25 42.46 2qqt s ASN 241 CO 0.47 -0.09 0.54 0.35 -2.79 0.00 0.00 177.10 175.58 2qqt n THR 242 N 3.17 0.00 -0.09 -5.21 -2.24 -1.09 -1.50 114.28 107.32 2qqt n THR 242 Ca 0.19 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.87 2qqt n THR 242 Cb 0.54 -0.67 -0.13 0.00 -2.10 0.00 0.00 70.33 67.98 2qqt n THR 242 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2qqt n THR 243 N -0.77 1.18 0.08 4.28 -1.04 -1.26 -4.37 114.28 112.38 2qqt n THR 243 Ca 0.03 -0.66 -0.11 0.00 -2.04 0.00 0.00 64.05 61.26 2qqt n THR 243 Cb 0.01 -0.72 -0.04 0.00 -1.82 0.00 0.00 70.33 67.77 2qqt n THR 243 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qqt h ALA 244 N 0.64 0.41 -6.87 2.41 0.00 -1.63 -3.48 119.26 110.75 2qqt h ALA 244 Ca -0.47 -0.74 -0.58 0.00 0.00 0.00 0.00 54.91 53.12 2qqt h ALA 244 Cb 1.98 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.59 2qqt h ALA 244 CO 0.00 0.90 -0.95 0.54 0.00 0.00 0.00 179.25 179.74 2qqt n ARG 245 N -3.66 -1.49 -3.69 0.00 1.74 -0.82 -4.95 116.66 103.78 2qqt n ARG 245 Ca -0.05 0.19 -0.38 0.00 -0.77 0.00 0.00 57.85 56.84 2qqt n ARG 245 Cb 0.85 -3.71 -0.12 0.00 -1.02 0.00 0.00 32.46 28.45 2qqt n ARG 245 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qqt s VAL 246 N -4.12 4.43 1.03 1.55 1.01 -1.26 -4.97 120.40 118.07 2qqt s VAL 246 Ca 0.09 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 2qqt s VAL 246 Cb -0.04 -3.24 0.20 0.00 0.00 0.00 0.00 36.38 33.30 2qqt s VAL 246 CO 0.96 0.11 1.10 -2.16 0.00 0.00 0.00 175.10 175.11 2qqt s PRO 247 N 1.59 0.16 0.86 2.72 0.04 -1.26 -3.41 135.00 135.70 2qqt s PRO 247 Ca 0.04 0.37 -0.11 0.00 0.04 0.00 0.00 61.00 61.34 2qqt s PRO 247 Cb -0.17 -1.72 0.10 0.00 0.04 0.00 0.00 34.50 32.76 2qqt s PRO 247 CO 0.05 -2.88 1.09 0.00 0.04 0.00 0.00 177.00 175.30 2qqt s PHE 249 N -2.96 3.50 -0.28 0.00 0.40 -1.26 -0.78 117.98 116.60 2qqt s PHE 249 Ca 0.63 1.06 -0.14 0.00 -0.60 0.00 0.00 56.93 57.87 2qqt s PHE 249 Cb -0.17 -2.39 -0.03 0.00 0.51 0.00 0.00 43.02 40.93 2qqt s PHE 249 CO 0.56 0.30 0.34 -1.17 0.70 0.00 0.00 175.22 175.95 2qqt s LEU 250 N -2.46 4.10 0.00 -0.37 2.96 0.69 -4.62 118.68 118.99 2qqt s LEU 250 Ca 0.45 0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.57 2qqt s LEU 250 Cb -0.13 -2.36 -0.02 0.00 0.50 0.00 0.00 46.19 44.18 2qqt s LEU 250 CO 0.20 -0.19 0.22 0.00 -1.32 0.00 0.00 176.35 175.25 2qqt n ALA 251 N 5.30 0.60 0.29 5.97 0.00 -1.26 -4.27 120.51 127.14 2qqt n ALA 251 Ca -0.09 -1.74 0.17 0.00 0.00 0.00 0.00 53.44 51.78 2qqt n ALA 251 Cb 0.51 1.34 0.83 0.00 0.00 0.00 0.00 19.45 22.13 2qqt n ALA 251 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qqt h GLY 252 N 1.70 0.00 -5.30 0.00 0.00 -1.16 -3.42 103.07 94.89 2qqt h GLY 252 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.69 2qqt h GLY 252 CO 0.34 0.00 -0.79 -0.35 0.00 0.00 0.00 176.54 175.74 2qqt s ASP 253 N -4.84 1.20 0.30 0.19 2.15 -0.84 -3.27 116.67 111.57 2qqt s ASP 253 Ca -0.02 -0.19 0.25 0.00 0.43 0.00 0.00 52.55 53.03 2qqt s ASP 253 Cb 0.10 -0.19 1.06 0.00 -0.30 0.00 0.00 42.92 43.59 2qqt s ASP 253 CO 0.38 0.11 1.75 -0.26 -0.17 0.00 0.00 175.17 176.98 2qqt h PHE 254 N 6.05 0.00 -0.16 -5.34 -1.00 -1.93 -3.00 116.94 111.56 2qqt h PHE 254 Ca -0.32 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.46 2qqt h PHE 254 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 2qqt h PHE 254 CO 0.41 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 177.65 2qqt n ARG 255 N -2.36 1.88 -0.41 1.51 1.74 -1.26 -4.53 116.66 113.23 2qqt n ARG 255 Ca 0.02 -1.31 0.36 0.00 -0.77 0.00 0.00 57.85 56.14 2qqt n ARG 255 Cb 0.22 -1.43 0.68 0.00 -1.02 0.00 0.00 32.46 30.91 2qqt n ARG 255 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qqt h ALA 256 N 4.23 2.92 -0.67 7.54 0.00 -1.88 -0.90 119.26 130.50 2qqt h ALA 256 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qqt h ALA 256 Cb 0.60 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2qqt h ALA 256 CO 0.00 -1.39 0.00 0.43 0.00 0.00 0.00 179.25 178.29 2qqt n SER 257 N -4.38 4.19 -0.04 0.00 7.64 -1.26 -2.95 113.62 116.82 2qqt n SER 257 Ca 0.31 -2.19 0.23 0.00 1.01 0.00 0.00 58.87 58.23 2qqt n SER 257 Cb 1.33 -0.51 0.70 0.00 -1.01 0.00 0.00 64.21 64.72 2qqt n SER 257 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2qqt h GLU 258 N 4.00 0.00 -1.98 1.43 4.22 -1.50 -2.24 114.58 118.52 2qqt h GLU 258 Ca 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.39 2qqt h GLU 258 Cb 1.16 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.21 2qqt h GLU 258 CO 0.09 0.00 0.19 1.14 -2.18 0.00 0.00 179.01 178.25 2qqt s GLN 259 N -4.98 0.96 0.54 1.92 1.03 -1.26 -2.46 119.66 115.40 2qqt s GLN 259 Ca -0.05 0.52 0.25 0.00 0.04 0.00 0.00 55.36 56.12 2qqt s GLN 259 Cb 0.20 0.46 1.42 0.00 0.03 0.00 0.00 33.01 35.12 2qqt s GLN 259 CO 0.73 -0.24 2.01 0.97 -2.54 0.00 0.00 175.29 176.22 2qqt h ILE 260 N 3.34 0.70 0.00 3.63 2.10 -1.70 -1.93 117.51 123.65 2qqt h ILE 260 Ca -0.27 0.00 -0.10 0.00 1.08 0.00 0.00 64.86 65.56 2qqt h ILE 260 Cb 1.15 0.75 -0.01 0.00 -1.09 0.00 0.00 36.82 37.62 2qqt h ILE 260 CO 0.26 0.00 -0.49 -0.07 -1.08 0.00 0.00 178.15 176.77 2qqt h LEU 261 N 0.00 0.00 -0.13 2.19 4.07 -1.94 -1.86 115.31 117.63 2qqt h LEU 261 Ca 0.22 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.96 2qqt h LEU 261 Cb 0.91 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.63 2qqt h LEU 261 CO -0.00 0.49 -0.98 0.25 -1.08 0.00 0.00 178.44 177.12 2qqt h LEU 262 N 0.00 0.18 -0.38 1.67 5.85 -1.64 -2.43 115.31 118.56 2qqt h LEU 262 Ca -0.00 -0.17 -0.19 0.00 0.84 0.00 0.00 57.88 58.36 2qqt h LEU 262 Cb 1.31 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 2qqt h LEU 262 CO 0.06 1.05 -0.77 0.00 -0.34 0.00 0.00 178.44 178.44 2qqt h ALA 263 N 0.93 0.58 -0.41 1.25 0.00 -1.38 -1.91 119.26 118.33 2qqt h ALA 263 Ca -0.05 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 2qqt h ALA 263 Cb 1.67 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 2qqt h ALA 263 CO 0.14 0.80 0.06 1.15 0.00 0.00 0.00 179.25 181.40 2qqt h THR 264 N 0.22 1.25 -0.20 0.00 2.02 -1.28 -1.79 112.91 113.12 2qqt h THR 264 Ca -0.04 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 2qqt h THR 264 Cb 1.36 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 2qqt h THR 264 CO 0.13 0.31 0.09 0.00 0.37 0.00 0.00 175.52 176.42 2qqt h ALA 265 N 0.92 0.26 -0.87 6.16 0.00 -1.37 -1.83 119.26 122.53 2qqt h ALA 265 Ca 0.12 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.05 2qqt h ALA 265 Cb 0.39 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 2qqt h ALA 265 CO 0.01 -0.17 0.51 0.45 0.00 0.00 0.00 179.25 180.04 2qqt h HIS 266 N 0.19 0.91 -0.64 0.00 3.86 -1.21 -1.86 115.15 116.40 2qqt h HIS 266 Ca 0.07 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 2qqt h HIS 266 Cb 0.13 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 2qqt h HIS 266 CO -0.02 0.35 0.24 1.15 0.86 0.00 0.00 177.93 180.51 2qqt h THR 267 N 0.82 1.24 -0.90 2.45 2.02 -0.93 -0.99 112.91 116.62 2qqt h THR 267 Ca 0.43 -0.78 0.04 0.00 0.77 0.00 0.00 66.41 66.87 2qqt h THR 267 Cb 0.43 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 67.33 2qqt h THR 267 CO -0.27 0.30 0.58 -0.07 0.37 0.00 0.00 175.52 176.44 2qqt h LEU 268 N 0.91 0.94 -0.14 2.58 4.07 -0.55 -0.92 115.31 122.20 2qqt h LEU 268 Ca 0.21 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.11 2qqt h LEU 268 Cb 0.24 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 2qqt h LEU 268 CO -0.01 0.63 -0.14 -0.07 -1.08 0.00 0.00 178.44 177.77 2qqt h LEU 269 N 1.09 0.37 -0.06 1.67 3.38 -1.04 -2.15 115.31 118.58 2qqt h LEU 269 Ca 0.37 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.90 2qqt h LEU 269 Cb 0.06 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 2qqt h LEU 269 CO -0.14 0.78 -0.29 0.25 0.09 0.00 0.00 178.44 179.13 2qqt h LEU 270 N -0.03 -0.88 -0.92 1.67 5.85 -0.97 -1.86 115.31 118.18 2qqt h LEU 270 Ca 0.02 0.12 0.15 0.00 0.84 0.00 0.00 57.88 59.01 2qqt h LEU 270 Cb 0.67 0.37 -0.09 0.00 0.37 0.00 0.00 40.66 41.97 2qqt h LEU 270 CO 0.04 -0.35 0.53 0.03 -0.34 0.00 0.00 178.44 178.35 2qqt h ARG 271 N -0.40 0.74 -0.21 1.25 3.08 -1.15 -0.54 114.38 117.15 2qqt h ARG 271 Ca 0.08 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 2qqt h ARG 271 Cb 0.52 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2qqt h ARG 271 CO -0.29 0.49 -0.16 1.49 -1.07 0.00 0.00 179.97 180.43 2qqt h GLU 272 N 0.76 0.34 -0.18 0.04 4.57 -0.69 -1.45 114.58 117.97 2qqt h GLU 272 Ca 0.50 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.56 2qqt h GLU 272 Cb 0.66 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 2qqt h GLU 272 CO -0.34 0.50 0.05 1.25 -1.18 0.00 0.00 179.01 179.29 2qqt h HIS 273 N 0.32 0.29 -0.31 0.92 2.76 -0.33 -0.54 115.15 118.26 2qqt h HIS 273 Ca 0.06 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 2qqt h HIS 273 Cb 0.47 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 2qqt h HIS 273 CO 0.01 0.40 0.10 -0.91 -1.30 0.00 0.00 177.93 176.23 2qqt h ASN 274 N 0.10 0.45 0.04 3.26 2.35 -1.30 0.67 115.58 121.15 2qqt h ASN 274 Ca 0.06 -0.20 0.03 0.00 -0.55 0.00 0.00 56.30 55.63 2qqt h ASN 274 Cb 0.25 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 2qqt h ASN 274 CO -0.00 0.54 -0.31 -0.09 -1.65 0.00 0.00 177.43 175.92 2qqt h ARG 275 N 0.35 -0.47 -0.87 0.81 2.43 -1.19 0.17 114.38 115.61 2qqt h ARG 275 Ca 0.10 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.41 2qqt h ARG 275 Cb 0.25 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 2qqt h ARG 275 CO -0.00 -0.31 0.56 1.25 -1.51 0.00 0.00 179.97 179.96 2qqt h LEU 276 N -0.48 0.73 -0.07 3.80 5.85 -1.01 -1.41 115.31 122.71 2qqt h LEU 276 Ca 0.05 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2qqt h LEU 276 Cb 0.55 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2qqt h LEU 276 CO -0.23 0.41 -0.07 0.00 -0.34 0.00 0.00 178.44 178.22 2qqt h ALA 277 N 1.58 0.11 0.00 1.25 0.00 0.80 -1.77 119.26 121.22 2qqt h ALA 277 Ca 0.41 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2qqt h ALA 277 Cb 0.51 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2qqt h ALA 277 CO -0.18 -0.09 -0.24 0.07 0.00 0.00 0.00 179.25 178.82 2qqt h ARG 278 N -0.25 0.00 -0.11 0.00 0.11 -0.48 -2.81 114.38 110.84 2qqt h ARG 278 Ca 0.01 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.99 2qqt h ARG 278 Cb 0.57 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.65 2qqt h ARG 278 CO 0.02 0.24 -0.33 0.93 0.10 0.00 0.00 179.97 180.92 2qqt h GLU 279 N 0.00 0.42 -0.02 0.08 4.39 -1.21 -3.08 114.58 115.16 2qqt h GLU 279 Ca -0.00 -0.30 -0.06 0.00 0.34 0.00 0.00 59.36 59.34 2qqt h GLU 279 Cb 0.68 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 2qqt h GLU 279 CO 0.03 0.92 -0.26 -0.07 -1.16 0.00 0.00 179.01 178.47 2qqt h LEU 280 N -0.02 0.03 -0.41 1.33 3.38 -1.21 -2.51 115.31 115.91 2qqt h LEU 280 Ca -0.01 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2qqt h LEU 280 Cb 0.95 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2qqt h LEU 280 CO 0.07 0.29 -0.00 0.50 0.09 0.00 0.00 178.44 179.39 2qqt h LYS 281 N 0.02 0.72 -0.21 1.13 1.63 -1.54 -2.05 116.57 116.27 2qqt h LYS 281 Ca 0.00 -0.23 0.06 0.00 -0.85 0.00 0.00 60.65 59.63 2qqt h LYS 281 Cb 0.48 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 2qqt h LYS 281 CO 0.04 0.80 0.21 -0.22 -3.45 0.00 0.00 179.45 176.83 2qqt h LYS 282 N 0.55 0.00 0.00 1.90 3.64 -1.36 -0.58 116.57 120.72 2qqt h LYS 282 Ca 0.11 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2qqt h LYS 282 Cb 0.48 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2qqt h LYS 282 CO 0.02 0.00 -1.95 1.28 -2.27 0.00 0.00 179.45 176.53 2qqt n LEU 283 N -3.93 0.00 -3.40 5.20 4.77 -1.12 -4.67 117.00 113.85 2qqt n LEU 283 Ca 0.02 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.73 2qqt n LEU 283 Cb 0.34 0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.38 2qqt n LEU 283 CO 0.29 0.05 -0.30 0.59 -1.33 0.00 0.00 177.39 176.68 2qqt n ASN 284 N -2.25 -0.25 0.19 -1.43 3.02 -0.79 -4.72 115.26 109.04 2qqt n ASN 284 Ca -0.06 -2.44 0.13 0.00 -0.03 0.00 0.00 54.58 52.17 2qqt n ASN 284 Cb 0.58 -0.57 0.69 0.00 -0.61 0.00 0.00 39.78 39.88 2qqt n ASN 284 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2qqt h PRO 285 N 5.47 0.00 0.00 3.52 0.11 -1.39 -2.91 132.00 136.80 2qqt h PRO 285 Ca 0.25 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.29 2qqt h PRO 285 Cb 0.90 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 2qqt h PRO 285 CO 0.40 0.00 -0.33 1.12 -0.21 0.00 0.00 178.00 178.98 2qqt h HIS 286 N 0.00 0.00 -2.27 0.65 2.07 -1.95 -3.46 115.15 110.19 2qqt h HIS 286 Ca 0.08 0.00 -0.62 0.00 -2.85 0.00 0.00 60.37 56.98 2qqt h HIS 286 Cb 0.32 0.00 0.08 0.00 2.57 0.00 0.00 27.41 30.38 2qqt h HIS 286 CO 0.00 0.33 0.49 0.91 -3.07 0.00 0.00 177.93 176.59 2qqt n TRP 287 N -3.25 1.79 -1.20 6.12 7.02 -1.10 -4.99 117.44 121.82 2qqt n TRP 287 Ca 0.02 0.53 -0.03 0.00 -1.02 0.00 0.00 57.50 56.99 2qqt n TRP 287 Cb 0.61 -2.39 0.02 0.00 -2.42 0.00 0.00 31.31 27.13 2qqt n TRP 287 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2qqt n ASN 288 N 2.27 0.02 -0.05 -0.99 0.23 -1.26 -4.86 115.26 110.63 2qqt n ASN 288 Ca 0.14 -1.06 -0.12 0.00 -0.53 0.00 0.00 54.58 53.01 2qqt n ASN 288 Cb 0.27 -0.11 -0.07 0.00 -2.08 0.00 0.00 39.78 37.79 2qqt n ASN 288 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2qqt h GLY 289 N -0.19 0.28 0.21 4.83 0.00 -1.92 -2.57 103.07 103.70 2qqt h GLY 289 Ca -0.05 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.06 2qqt h GLY 289 CO 0.04 0.21 -0.50 -2.09 0.00 0.00 0.00 176.54 174.20 2qqt h GLU 290 N -0.06 -0.73 -0.98 4.80 4.57 -1.94 -0.36 114.58 119.88 2qqt h GLU 290 Ca 0.03 0.05 0.16 0.00 -1.18 0.00 0.00 59.36 58.42 2qqt h GLU 290 Cb 0.46 0.17 -0.10 0.00 -0.16 0.00 0.00 28.75 29.11 2qqt h GLU 290 CO 0.01 -0.49 0.60 -0.22 -1.18 0.00 0.00 179.01 177.73 2qqt h LYS 291 N -0.76 0.80 -0.43 1.92 1.63 -1.94 0.30 116.57 118.09 2qqt h LYS 291 Ca -0.00 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.69 2qqt h LYS 291 Cb 0.75 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 2qqt h LYS 291 CO -0.25 0.53 0.02 -0.07 -3.45 0.00 0.00 179.45 176.22 2qqt h LEU 292 N 0.82 0.72 0.78 5.20 -0.00 -0.94 -1.87 115.31 120.02 2qqt h LEU 292 Ca 0.54 -0.29 -0.04 0.00 -0.00 0.00 0.00 57.88 58.09 2qqt h LEU 292 Cb 0.73 -0.19 0.01 0.00 -0.00 0.00 0.00 40.66 41.21 2qqt h LEU 292 CO -0.34 0.84 -0.37 0.22 -0.00 0.00 0.00 178.44 178.78 2qqt h TYR 293 N 0.58 -0.97 -0.76 1.13 3.20 0.30 -1.81 116.97 118.65 2qqt h TYR 293 Ca 0.12 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.06 2qqt h TYR 293 Cb 0.46 0.32 -0.07 0.00 1.54 0.00 0.00 36.73 38.97 2qqt h TYR 293 CO 0.03 -0.59 0.41 1.96 -1.64 0.00 0.00 178.16 178.34 2qqt h GLN 294 N -1.22 0.68 -0.34 1.82 1.08 -1.07 0.13 115.11 116.19 2qqt h GLN 294 Ca -0.11 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 56.98 2qqt h GLN 294 Cb 0.81 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 2qqt h GLN 294 CO 0.18 0.45 -0.05 1.49 -0.95 0.00 0.00 178.83 179.94 2qqt h GLU 295 N 0.70 0.64 0.26 1.46 4.57 -1.36 -0.13 114.58 120.71 2qqt h GLU 295 Ca 0.37 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 2qqt h GLU 295 Cb 0.35 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2qqt h GLU 295 CO -0.25 0.79 -0.12 0.00 -1.18 0.00 0.00 179.01 178.25 2qqt h ALA 296 N 0.83 -0.34 -0.93 2.92 0.00 -1.05 -2.28 119.26 118.40 2qqt h ALA 296 Ca 0.09 -0.15 0.27 0.00 0.00 0.00 0.00 54.91 55.12 2qqt h ALA 296 Cb 0.54 0.13 -0.15 0.00 0.00 0.00 0.00 17.79 18.31 2qqt h ALA 296 CO 0.03 -0.58 0.27 -0.09 0.00 0.00 0.00 179.25 178.88 2qqt h ARG 297 N -0.57 0.16 -0.14 0.00 2.43 -0.65 0.46 114.38 116.06 2qqt h ARG 297 Ca -0.04 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 58.98 2qqt h ARG 297 Cb 0.42 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2qqt h ARG 297 CO 0.06 0.11 -0.52 -0.22 -1.51 0.00 0.00 179.97 177.88 2qqt h LYS 298 N 0.16 0.40 -0.06 0.20 3.64 -0.89 -1.63 116.57 118.39 2qqt h LYS 298 Ca 0.62 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.75 2qqt h LYS 298 Cb 1.33 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2qqt h LYS 298 CO -0.71 0.83 0.03 0.82 -2.27 0.00 0.00 179.45 178.14 2qqt h ILE 299 N 0.31 1.13 -0.37 2.00 2.04 0.46 -2.26 117.51 120.81 2qqt h ILE 299 Ca 0.01 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 2qqt h ILE 299 Cb 1.02 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 2qqt h ILE 299 CO 0.09 0.11 0.16 0.25 0.00 0.00 0.00 178.15 178.76 2qqt h LEU 300 N -0.04 0.47 -0.48 1.44 5.85 -1.11 -0.76 115.31 120.68 2qqt h LEU 300 Ca 0.02 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 2qqt h LEU 300 Cb 0.14 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2qqt h LEU 300 CO -0.00 0.42 -0.01 1.23 -0.34 0.00 0.00 178.44 179.73 2qqt h GLY 301 N 0.66 0.92 2.00 3.75 0.00 -1.09 -2.03 103.07 107.27 2qqt h GLY 301 Ca 0.13 -0.68 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 2qqt h GLY 301 CO -0.02 0.63 -0.23 0.00 0.00 0.00 0.00 176.54 176.92 2qqt h ALA 302 N 0.92 1.40 0.01 3.60 0.00 -0.76 -2.51 119.26 121.93 2qqt h ALA 302 Ca 0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2qqt h ALA 302 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2qqt h ALA 302 CO 0.03 0.29 -0.00 0.35 0.00 0.00 0.00 179.25 179.91 2qqt h PHE 303 N 0.00 -0.01 -0.75 0.00 3.57 -0.61 -2.36 116.94 116.77 2qqt h PHE 303 Ca -0.00 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2qqt h PHE 303 Cb 0.47 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 2qqt h PHE 303 CO 0.00 0.48 0.30 0.82 -2.23 0.00 0.00 178.31 177.68 2qqt h ILE 304 N -0.51 1.25 -0.65 1.41 2.04 -1.28 -1.98 117.51 117.79 2qqt h ILE 304 Ca -0.00 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 2qqt h ILE 304 Cb 0.50 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2qqt h ILE 304 CO 0.00 0.32 0.28 1.56 0.00 0.00 0.00 178.15 180.31 2qqt h GLN 305 N 1.09 0.97 0.36 2.37 4.20 -1.47 -1.81 115.11 120.83 2qqt h GLN 305 Ca 0.25 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 2qqt h GLN 305 Cb 0.20 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2qqt h GLN 305 CO -0.02 0.79 -0.18 0.82 -0.67 0.00 0.00 178.83 179.58 2qqt h ILE 306 N 0.92 0.62 -0.99 2.54 2.04 -1.13 -1.31 117.51 120.20 2qqt h ILE 306 Ca 0.22 -0.45 0.09 0.00 1.00 0.00 0.00 64.86 65.73 2qqt h ILE 306 Cb 0.17 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 2qqt h ILE 306 CO -0.02 0.08 0.63 0.40 0.00 0.00 0.00 178.15 179.24 2qqt h ILE 307 N -0.75 1.00 0.24 -0.67 1.08 -1.36 0.27 117.51 117.32 2qqt h ILE 307 Ca -0.05 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 64.04 2qqt h ILE 307 Cb 0.51 -0.16 0.00 0.00 -3.07 0.00 0.00 36.82 34.11 2qqt h ILE 307 CO 0.08 0.19 -0.12 0.74 -0.69 0.00 0.00 178.15 178.36 2qqt h THR 308 N 1.07 0.81 0.03 -0.27 2.02 -1.24 -1.20 112.91 114.13 2qqt h THR 308 Ca 0.46 -0.41 -0.23 0.00 0.77 0.00 0.00 66.41 67.00 2qqt h THR 308 Cb 0.32 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2qqt h THR 308 CO -0.22 0.09 -1.10 -0.26 0.37 0.00 0.00 175.52 174.41 2qqt h PHE 309 N -0.54 0.10 0.11 3.16 -1.00 -0.99 0.28 116.94 118.06 2qqt h PHE 309 Ca -0.03 -0.07 -0.31 0.00 2.81 0.00 0.00 57.97 60.36 2qqt h PHE 309 Cb 0.40 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 2qqt h PHE 309 CO -0.00 1.06 -1.63 -0.09 -1.61 0.00 0.00 178.31 176.04 2qqt h ARG 310 N 0.01 0.24 0.00 1.51 2.43 -0.58 -3.41 114.38 114.58 2qqt h ARG 310 Ca -0.05 -0.42 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 2qqt h ARG 310 Cb 1.83 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.52 2qqt h ARG 310 CO 0.14 1.20 -1.69 -0.25 -1.51 0.00 0.00 179.97 177.86 2qqt n ASP 311 N -3.80 1.69 -0.12 -3.80 8.00 -0.59 -4.73 116.55 113.20 2qqt n ASP 311 Ca -0.28 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 54.98 2qqt n ASP 311 Cb 0.94 1.56 -0.08 0.00 -0.02 0.00 0.00 41.12 43.52 2qqt n ASP 311 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qqt n TYR 312 N -2.07 0.13 -0.11 1.24 9.36 -0.56 -4.53 117.16 120.62 2qqt n TYR 312 Ca -0.05 0.06 -0.01 0.00 3.32 0.00 0.00 57.90 61.22 2qqt n TYR 312 Cb 0.45 -0.89 0.26 0.00 -0.63 0.00 0.00 39.34 38.52 2qqt n TYR 312 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2qqt h LEU 313 N -1.00 0.69 -2.52 2.98 3.38 -1.19 -2.38 115.31 115.27 2qqt h LEU 313 Ca -0.50 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.40 2qqt h LEU 313 Cb 1.42 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 2qqt h LEU 313 CO -0.30 0.63 0.10 -0.65 0.09 0.00 0.00 178.44 178.30 2qqt h PRO 314 N 0.76 0.00 -0.25 1.13 0.11 -1.81 0.14 132.00 132.08 2qqt h PRO 314 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2qqt h PRO 314 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.26 2qqt h PRO 314 CO -0.02 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 178.21 2qqt n ILE 315 N -3.46 2.10 -0.01 4.15 -5.35 -0.90 -2.45 119.36 113.44 2qqt n ILE 315 Ca -0.02 -1.80 -0.05 0.00 -0.27 0.00 0.00 62.75 60.61 2qqt n ILE 315 Cb 0.18 -0.16 -0.02 0.00 -1.74 0.00 0.00 39.64 37.90 2qqt n ILE 315 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2qqt n VAL 316 N -0.47 1.20 0.14 7.28 0.31 -0.39 -4.09 118.33 122.32 2qqt n VAL 316 Ca 0.20 0.22 -0.00 0.00 -0.01 0.00 0.00 64.34 64.74 2qqt n VAL 316 Cb 0.82 -1.84 0.26 0.00 -0.91 0.00 0.00 33.84 32.17 2qqt n VAL 316 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2qqt h LEU 317 N -0.39 0.08 0.00 7.52 4.07 -0.98 -0.74 115.31 124.87 2qqt h LEU 317 Ca -0.05 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.87 2qqt h LEU 317 Cb 0.55 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.27 2qqt h LEU 317 CO -0.03 0.53 0.00 0.61 -1.08 0.00 0.00 178.44 178.47 2qqt n GLY 318 N -0.18 2.60 0.00 0.83 0.00 -1.02 -2.21 105.19 105.21 2qqt n GLY 318 Ca -0.02 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.69 2qqt n GLY 318 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qqt n SER 319 N 3.07 0.00 0.07 1.61 3.41 -0.74 -1.66 113.62 119.38 2qqt n SER 319 Ca 0.00 0.14 0.12 0.00 -0.26 0.00 0.00 58.87 58.88 2qqt n SER 319 Cb 0.00 -0.33 0.26 0.00 -0.26 0.00 0.00 64.21 63.88 2qqt n SER 319 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2qqt n GLU 320 N -1.33 0.25 -0.41 4.33 -0.58 -0.94 -4.33 120.64 117.63 2qqt n GLU 320 Ca 0.07 0.11 -0.11 0.00 -0.42 0.00 0.00 57.16 56.81 2qqt n GLU 320 Cb 0.14 -1.70 -0.10 0.00 -0.57 0.00 0.00 31.44 29.22 2qqt n GLU 320 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 2qqt n MET 321 N -2.08 -0.43 0.25 3.49 1.56 -0.66 -0.94 117.12 118.30 2qqt n MET 321 Ca 0.04 1.49 0.11 0.00 -0.27 0.00 0.00 57.70 59.08 2qqt n MET 321 Cb 0.43 -2.20 0.65 0.00 2.15 0.00 0.00 33.22 34.25 2qqt n MET 321 CO 0.00 0.00 0.00 1.96 -0.73 0.00 0.00 175.97 177.20 2qqt h GLN 322 N 0.00 0.00 0.00 2.12 4.20 -1.78 -0.93 115.11 118.72 2qqt h GLN 322 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2qqt h GLN 322 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2qqt h GLN 322 CO -0.92 0.16 0.00 -0.22 -0.67 0.00 0.00 178.83 177.18 2qqt h LYS 323 N 0.00 0.00 0.00 1.46 3.64 -1.29 -3.36 116.57 117.02 2qqt h LYS 323 Ca -0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2qqt h LYS 323 Cb 0.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2qqt h LYS 323 CO 0.02 0.00 -1.21 0.91 -2.27 0.00 0.00 179.45 176.90 2qqt n TRP 324 N -3.07 0.00 -3.70 1.91 7.02 -1.08 -4.91 117.44 113.62 2qqt n TRP 324 Ca 0.01 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.12 2qqt n TRP 324 Cb 0.30 -0.14 -0.09 0.00 -2.42 0.00 0.00 31.31 28.96 2qqt n TRP 324 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 2qqt s ILE 325 N -2.07 3.87 0.94 -0.99 1.01 -0.38 -4.79 121.20 118.79 2qqt s ILE 325 Ca -0.05 -3.13 -0.13 0.00 0.00 0.00 0.00 60.65 57.34 2qqt s ILE 325 Cb 0.01 -3.49 0.15 0.00 0.01 0.00 0.00 42.46 39.14 2qqt s ILE 325 CO 0.08 -0.92 1.13 -2.84 0.00 0.00 0.00 174.94 172.40 2qqt s PRO 326 N -0.31 0.93 0.41 2.79 0.02 -1.26 -4.44 135.00 133.14 2qqt s PRO 326 Ca 0.19 0.30 -0.24 0.00 0.02 0.00 0.00 61.00 61.27 2qqt s PRO 326 Cb -0.18 -1.81 -0.11 0.00 0.02 0.00 0.00 34.50 32.42 2qqt s PRO 326 CO -0.05 -2.34 0.90 -2.30 -0.33 0.00 0.00 177.00 172.88 2qqt n PRO 327 N -3.87 1.14 -1.79 5.54 -0.02 -1.26 -4.86 135.00 129.87 2qqt n PRO 327 Ca 0.07 0.41 -0.39 0.00 -2.02 0.00 0.00 63.50 61.56 2qqt n PRO 327 Cb 0.59 -1.89 0.03 0.00 -0.02 0.00 0.00 33.50 32.21 2qqt n PRO 327 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2qqt s TYR 328 N -1.30 2.37 0.00 6.00 5.04 -1.26 -4.95 117.35 123.25 2qqt s TYR 328 Ca 0.63 1.32 0.00 0.00 -2.44 0.00 0.00 57.07 56.58 2qqt s TYR 328 Cb -0.58 -3.86 0.00 0.00 0.35 0.00 0.00 41.96 37.87 2qqt s TYR 328 CO 0.57 -2.91 0.57 1.04 -1.34 0.00 0.00 175.55 173.47 2qqt n GLN 329 N -0.61 0.77 0.00 4.97 6.02 -1.26 -5.14 117.38 122.13 2qqt n GLN 329 Ca 0.08 -0.71 0.00 0.00 -0.01 0.00 0.00 57.00 56.35 2qqt n GLN 329 Cb 0.43 -0.70 0.00 0.00 1.02 0.00 0.00 30.24 31.00 2qqt n GLN 329 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qqt n GLY 330 N -0.15 2.64 3.75 1.08 0.00 -1.26 -5.02 105.19 106.23 2qqt n GLY 330 Ca 0.00 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 2qqt n GLY 330 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qqt s TYR 331 N -2.83 2.83 -0.32 1.61 5.04 -1.26 -4.90 117.35 117.53 2qqt s TYR 331 Ca 0.00 0.94 0.03 0.00 -2.44 0.00 0.00 57.07 55.60 2qqt s TYR 331 Cb 0.00 -3.97 0.09 0.00 0.35 0.00 0.00 41.96 38.43 2qqt s TYR 331 CO 0.00 -3.15 0.01 1.21 -1.34 0.00 0.00 175.55 172.28 2qqt s ASN 332 N 0.33 4.62 0.20 4.32 3.84 0.14 -4.99 114.94 123.39 2qqt s ASN 332 Ca 0.60 -1.93 0.15 0.00 0.21 0.00 0.00 52.86 51.90 2qqt s ASN 332 Cb -0.45 -1.55 0.77 0.00 -0.55 0.00 0.00 41.25 39.47 2qqt s ASN 332 CO 0.49 -0.34 1.47 -0.46 -2.79 0.00 0.00 177.10 175.47 2qqt n ASN 333 N 4.34 0.38 0.03 -4.21 6.94 -1.26 -2.03 115.26 119.45 2qqt n ASN 333 Ca -0.01 0.65 0.12 0.00 -0.02 0.00 0.00 54.58 55.33 2qqt n ASN 333 Cb 0.42 -0.71 0.25 0.00 -2.36 0.00 0.00 39.78 37.38 2qqt n ASN 333 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2qqt n SER 334 N -1.98 0.56 -4.69 0.53 7.64 -1.26 -4.85 113.62 109.56 2qqt n SER 334 Ca -0.00 0.01 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 2qqt n SER 334 Cb 0.07 0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 2qqt n SER 334 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2qqt s VAL 335 N -3.08 4.45 -0.23 0.44 1.01 -0.86 -4.99 120.40 117.13 2qqt s VAL 335 Ca 0.09 1.75 -0.29 0.00 0.00 0.00 0.00 61.98 63.53 2qqt s VAL 335 Cb 0.16 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2qqt s VAL 335 CO 0.69 0.03 1.19 -0.62 0.00 0.00 0.00 175.10 176.39 2qqt s ASP 336 N 1.27 6.92 -0.01 3.32 2.15 -1.26 -4.60 116.67 124.45 2qqt s ASP 336 Ca 0.54 1.41 0.12 0.00 0.43 0.00 0.00 52.55 55.05 2qqt s ASP 336 Cb -0.23 -2.54 0.37 0.00 -0.30 0.00 0.00 42.92 40.22 2qqt s ASP 336 CO 0.22 -0.83 1.29 -0.81 -0.17 0.00 0.00 175.17 174.88 2qqt n PRO 337 N 6.74 2.09 -2.42 4.34 -0.04 -1.26 -4.75 135.00 139.69 2qqt n PRO 337 Ca 0.13 -1.51 -0.39 0.00 -0.04 0.00 0.00 63.50 61.69 2qqt n PRO 337 Cb 0.46 -1.39 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 2qqt n PRO 337 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2qqt s ARG 338 N -1.51 4.32 -0.02 0.54 0.52 -1.26 -4.63 118.95 116.91 2qqt s ARG 338 Ca 0.28 1.75 -0.30 0.00 -0.52 0.00 0.00 55.73 56.94 2qqt s ARG 338 Cb 0.15 -2.85 -0.04 0.00 0.52 0.00 0.00 34.95 32.73 2qqt s ARG 338 CO 0.18 -0.06 1.17 0.42 0.02 0.00 0.00 175.30 177.03 2qqt s ILE 339 N -1.37 4.28 0.66 1.52 -1.09 -1.26 -4.76 121.20 119.18 2qqt s ILE 339 Ca 0.52 1.62 -0.14 0.00 -2.23 0.00 0.00 60.65 60.42 2qqt s ILE 339 Cb -0.29 -4.04 -0.00 0.00 -1.58 0.00 0.00 42.46 36.55 2qqt s ILE 339 CO 0.37 0.04 1.08 -0.94 -1.23 0.00 0.00 174.94 174.27 2qqt s SER 340 N 1.31 5.30 0.17 3.58 1.04 -1.26 -1.70 113.70 122.14 2qqt s SER 340 Ca 0.56 1.84 -0.13 0.00 0.48 0.00 0.00 55.95 58.70 2qqt s SER 340 Cb -0.25 -2.53 0.06 0.00 0.10 0.00 0.00 66.02 63.40 2qqt s SER 340 CO 0.24 -1.50 1.75 -1.13 0.98 0.00 0.00 173.24 173.58 2qqt h ASN 341 N -0.13 0.72 0.68 7.02 -0.73 -0.90 -2.86 115.58 119.39 2qqt h ASN 341 Ca -0.46 -0.13 -0.03 0.00 1.87 0.00 0.00 56.30 57.55 2qqt h ASN 341 Cb 1.23 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 39.63 2qqt h ASN 341 CO 0.55 0.65 -0.12 1.62 -0.37 0.00 0.00 177.43 179.76 2qqt h VAL 342 N 0.74 0.39 -0.57 2.57 3.04 -1.93 -2.93 116.25 117.56 2qqt h VAL 342 Ca 0.19 -0.70 -0.01 0.00 -1.01 0.00 0.00 66.70 65.17 2qqt h VAL 342 Cb 0.13 1.50 -0.03 0.00 -2.01 0.00 0.00 31.29 30.88 2qqt h VAL 342 CO -0.02 0.12 0.30 0.15 -1.01 0.00 0.00 177.57 177.11 2qqt h PHE 343 N 0.00 0.79 0.00 3.17 3.57 -1.87 -0.43 116.94 122.17 2qqt h PHE 343 Ca -0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2qqt h PHE 343 Cb 0.50 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2qqt h PHE 343 CO 0.00 0.59 0.14 1.79 -2.23 0.00 0.00 178.31 178.60 2qqt h THR 344 N 0.76 0.00 0.00 4.41 1.35 -1.58 0.21 112.91 118.07 2qqt h THR 344 Ca 0.20 0.00 -0.34 0.00 -0.55 0.00 0.00 66.41 65.71 2qqt h THR 344 Cb 0.07 0.47 -0.06 0.00 -1.73 0.00 0.00 68.15 66.89 2qqt h THR 344 CO -0.03 0.00 -2.29 0.49 -0.25 0.00 0.00 175.52 173.44 2qqt n PHE 345 N -2.30 0.00 -0.24 4.73 3.01 -0.69 -4.27 117.46 117.70 2qqt n PHE 345 Ca -0.01 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.37 2qqt n PHE 345 Cb 0.17 -0.91 0.04 0.00 -0.01 0.00 0.00 39.48 38.77 2qqt n PHE 345 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qqt h ALA 346 N 0.62 0.90 0.00 4.37 0.00 0.70 -2.25 119.26 123.61 2qqt h ALA 346 Ca -0.51 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2qqt h ALA 346 Cb 2.04 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2qqt h ALA 346 CO -0.01 0.66 0.00 0.34 0.00 0.00 0.00 179.25 180.24 2qqt n PHE 347 N -4.22 0.00 1.74 0.00 -0.00 0.52 -2.71 117.46 112.79 2qqt n PHE 347 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 2qqt n PHE 347 Cb 0.29 -0.38 0.01 0.00 -0.00 0.00 0.00 39.48 39.39 2qqt n PHE 347 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2qqt n ARG 348 N -1.38 0.87 0.31 -4.13 1.74 -0.85 -3.23 116.66 109.99 2qqt n ARG 348 Ca 0.05 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.31 2qqt n ARG 348 Cb 0.13 -1.00 0.99 0.00 -1.02 0.00 0.00 32.46 31.56 2qqt n ARG 348 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2qqt h PHE 349 N 0.00 0.00 0.00 -1.55 -5.15 -1.72 -2.08 116.94 106.44 2qqt h PHE 349 Ca 0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 2qqt h PHE 349 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.17 2qqt h PHE 349 CO 0.00 0.02 -0.06 0.78 -2.00 0.00 0.00 178.31 177.05 2qqt h GLY 350 N 0.37 0.00 2.00 6.09 0.00 -1.86 -2.71 103.07 106.96 2qqt h GLY 350 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qqt h GLY 350 CO 0.00 0.00 -0.01 0.45 0.00 0.00 0.00 176.54 176.98 2qqt h HIS 351 N 0.00 0.00 -0.41 5.60 3.86 -1.68 -0.65 115.15 121.88 2qqt h HIS 351 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2qqt h HIS 351 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 2qqt h HIS 351 CO 0.00 0.01 0.00 -1.33 0.86 0.00 0.00 177.93 177.47 2qqt n MET 352 N -3.23 2.12 -0.06 2.45 2.81 -1.02 -3.75 117.12 116.44 2qqt n MET 352 Ca -0.02 -1.72 0.04 0.00 -1.81 0.00 0.00 57.70 54.20 2qqt n MET 352 Cb 0.14 -1.41 0.07 0.00 -0.71 0.00 0.00 33.22 31.31 2qqt n MET 352 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2qqt n GLU 353 N 0.90 1.28 -3.15 0.03 1.02 -0.25 -4.03 120.64 116.43 2qqt n GLU 353 Ca 0.17 -1.39 -0.41 0.00 -0.02 0.00 0.00 57.16 55.51 2qqt n GLU 353 Cb 0.43 -1.19 -0.07 0.00 -0.02 0.00 0.00 31.44 30.59 2qqt n GLU 353 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qqt s VAL 354 N -0.84 4.96 0.93 2.62 1.01 -1.24 -0.51 120.40 127.33 2qqt s VAL 354 Ca 0.14 0.70 -0.13 0.00 0.00 0.00 0.00 61.98 62.69 2qqt s VAL 354 Cb 0.08 -3.99 0.15 0.00 0.00 0.00 0.00 36.38 32.62 2qqt s VAL 354 CO 0.12 -0.16 1.15 -2.16 0.00 0.00 0.00 175.10 174.04 2qqt s PRO 355 N 2.55 0.99 0.00 2.72 0.04 -1.26 -4.55 135.00 135.49 2qqt s PRO 355 Ca 0.23 0.24 0.26 0.00 0.04 0.00 0.00 61.00 61.77 2qqt s PRO 355 Cb -0.15 -1.83 1.16 0.00 0.04 0.00 0.00 34.50 33.72 2qqt s PRO 355 CO 0.12 -2.29 1.84 -1.13 0.04 0.00 0.00 177.00 175.59 2qqt n SER 356 N -3.82 0.00 -4.10 6.66 3.41 -1.26 -4.83 113.62 109.68 2qqt n SER 356 Ca 0.07 0.34 -0.09 0.00 -0.26 0.00 0.00 58.87 58.94 2qqt n SER 356 Cb 0.59 -0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 2qqt n SER 356 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2qqt s THR 357 N -2.89 0.13 -0.06 6.66 -4.23 -1.26 -0.47 115.64 113.53 2qqt s THR 357 Ca 0.16 -1.80 0.02 0.00 -1.18 0.00 0.00 61.69 58.89 2qqt s THR 357 Cb 0.17 -1.85 0.01 0.00 1.34 0.00 0.00 72.50 72.18 2qqt s THR 357 CO 0.45 -0.60 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.13 2qqt s VAL 358 N -4.00 1.02 0.27 2.29 1.01 -0.89 -4.85 120.40 115.25 2qqt s VAL 358 Ca 0.18 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.83 2qqt s VAL 358 Cb 0.07 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 2qqt s VAL 358 CO -0.02 0.33 0.03 -0.44 0.00 0.00 0.00 175.10 174.99 2qqt s SER 359 N 0.61 4.67 -0.06 3.32 0.01 -1.26 -1.64 113.70 119.35 2qqt s SER 359 Ca -0.12 -0.61 0.04 0.00 1.31 0.00 0.00 55.95 56.56 2qqt s SER 359 Cb -0.15 -0.90 0.00 0.00 0.21 0.00 0.00 66.02 65.19 2qqt s SER 359 CO 0.03 -0.03 -0.17 -0.13 0.41 0.00 0.00 173.24 173.34 2qqt s ARG 360 N -3.71 2.02 -0.05 12.44 3.00 -1.06 -4.36 118.95 127.23 2qqt s ARG 360 Ca 0.32 -0.62 0.06 0.00 0.00 0.00 0.00 55.73 55.49 2qqt s ARG 360 Cb -0.06 -1.67 -0.02 0.00 0.00 0.00 0.00 34.95 33.20 2qqt s ARG 360 CO 0.21 0.18 -0.24 -0.51 0.00 0.00 0.00 175.30 174.94 2qqt s LEU 361 N 0.24 2.15 0.00 2.53 1.43 -1.06 -1.35 118.68 122.62 2qqt s LEU 361 Ca -0.09 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 2qqt s LEU 361 Cb -0.14 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.69 2qqt s LEU 361 CO 0.04 0.28 0.00 -0.90 0.23 0.00 0.00 176.35 176.00 2qqt n ASP 362 N 2.73 -0.15 0.12 2.29 5.68 0.64 -4.45 116.55 123.41 2qqt n ASP 362 Ca -0.17 -0.20 0.11 0.00 -0.50 0.00 0.00 54.79 54.03 2qqt n ASP 362 Cb 0.52 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.97 2qqt n ASP 362 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2qqt n GLU 363 N -0.36 0.17 -0.20 0.11 1.02 -1.26 -1.70 120.64 118.42 2qqt n GLU 363 Ca 0.00 0.40 0.10 0.00 -0.02 0.00 0.00 57.16 57.65 2qqt n GLU 363 Cb 0.00 -1.83 0.21 0.00 -0.02 0.00 0.00 31.44 29.80 2qqt n GLU 363 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2qqt n ASN 364 N -2.15 3.36 -1.95 1.62 5.03 -1.26 -4.93 115.26 114.98 2qqt n ASN 364 Ca 0.02 -1.95 -0.10 0.00 0.87 0.00 0.00 54.58 53.42 2qqt n ASN 364 Cb 0.22 -0.27 0.04 0.00 -1.02 0.00 0.00 39.78 38.75 2qqt n ASN 364 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2qqt n TYR 365 N 1.32 -1.23 -4.37 3.10 4.01 -0.69 -5.00 117.16 114.32 2qqt n TYR 365 Ca 0.18 0.45 -0.26 0.00 -0.16 0.00 0.00 57.90 58.11 2qqt n TYR 365 Cb 0.56 -2.97 -0.10 0.00 -0.31 0.00 0.00 39.34 36.52 2qqt n TYR 365 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2qqt s GLN 366 N -5.34 1.82 -0.16 -0.72 -1.52 -1.26 -4.85 119.66 107.63 2qqt s GLN 366 Ca 0.20 -1.46 -0.40 0.00 -1.95 0.00 0.00 55.36 51.75 2qqt s GLN 366 Cb -0.09 -1.98 -0.17 0.00 -0.22 0.00 0.00 33.01 30.55 2qqt s GLN 366 CO 0.33 0.40 1.48 -0.35 -0.25 0.00 0.00 175.29 176.90 2qqt n PRO 367 N -0.06 0.75 -3.19 2.91 -0.04 -1.26 -0.26 135.00 133.84 2qqt n PRO 367 Ca -0.10 0.27 -0.43 0.00 -0.04 0.00 0.00 63.50 63.20 2qqt n PRO 367 Cb 0.57 -1.88 -0.07 0.00 -0.04 0.00 0.00 33.50 32.07 2qqt n PRO 367 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 2qqt s TRP 368 N 1.92 3.11 0.00 0.54 -0.00 -0.46 -4.59 118.94 119.46 2qqt s TRP 368 Ca 0.94 -0.15 0.00 0.00 -0.00 0.00 0.00 56.10 56.89 2qqt s TRP 368 Cb -1.15 -3.16 0.00 0.00 -0.00 0.00 0.00 33.47 29.17 2qqt s TRP 368 CO 0.61 -0.79 0.00 0.41 -0.00 0.00 0.00 176.95 177.19 2qqt n GLY 369 N 5.04 -0.68 0.10 5.86 0.00 -1.26 -4.16 105.19 110.09 2qqt n GLY 369 Ca -0.04 -1.74 -0.18 0.00 0.00 0.00 0.00 46.02 44.06 2qqt n GLY 369 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qqt h PRO 370 N 0.00 0.12 -2.95 1.61 0.13 -2.02 -3.36 132.00 125.54 2qqt h PRO 370 Ca 0.00 -0.21 -0.75 0.00 -0.87 0.00 0.00 66.00 64.17 2qqt h PRO 370 Cb 0.00 0.08 -0.15 0.00 0.13 0.00 0.00 31.00 31.06 2qqt h PRO 370 CO 0.00 1.10 2.16 0.39 -0.23 0.00 0.00 178.00 181.42 2qqt n GLU 371 N -4.33 4.25 0.07 0.86 1.02 -1.26 -4.68 120.64 116.57 2qqt n GLU 371 Ca -0.17 -3.57 -0.05 0.00 -0.02 0.00 0.00 57.16 53.35 2qqt n GLU 371 Cb 0.68 -2.73 -0.09 0.00 -0.02 0.00 0.00 31.44 29.28 2qqt n GLU 371 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qqt h ALA 372 N 5.05 0.44 -2.81 0.62 0.00 -1.72 -3.43 119.26 117.41 2qqt h ALA 372 Ca 0.56 -0.83 -0.71 0.00 0.00 0.00 0.00 54.91 53.93 2qqt h ALA 372 Cb 0.44 -0.11 -0.24 0.00 0.00 0.00 0.00 17.79 17.87 2qqt h ALA 372 CO 1.52 1.13 -0.52 -2.00 0.00 0.00 0.00 179.25 179.38 2qqt s GLU 373 N -2.76 2.86 0.09 0.00 2.12 -1.26 -2.56 118.70 117.18 2qqt s GLU 373 Ca 0.01 -1.06 0.02 0.00 0.36 0.00 0.00 54.97 54.31 2qqt s GLU 373 Cb 0.09 -3.72 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 2qqt s GLU 373 CO 0.80 -0.68 0.14 -0.51 -0.54 0.00 0.00 175.26 174.47 2qqt s LEU 374 N 1.56 4.01 0.23 2.70 1.43 -0.65 -4.96 118.68 123.00 2qqt s LEU 374 Ca 0.02 0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 2qqt s LEU 374 Cb -0.19 -2.66 -0.09 0.00 0.03 0.00 0.00 46.19 43.29 2qqt s LEU 374 CO 0.07 0.15 1.00 -2.84 0.23 0.00 0.00 176.35 174.96 2qqt s PRO 375 N -2.54 4.76 0.20 1.29 0.02 -1.26 -2.09 135.00 135.37 2qqt s PRO 375 Ca 0.32 1.60 -0.16 0.00 0.02 0.00 0.00 61.00 62.77 2qqt s PRO 375 Cb -0.12 -3.26 0.20 0.00 0.02 0.00 0.00 34.50 31.33 2qqt s PRO 375 CO 0.24 0.36 1.60 1.25 -0.33 0.00 0.00 177.00 180.13 2qqt h LEU 376 N 4.28 -0.86 -1.96 -5.54 6.46 -1.09 -1.71 115.31 114.89 2qqt h LEU 376 Ca -0.45 0.21 0.06 0.00 -0.12 0.00 0.00 57.88 57.58 2qqt h LEU 376 Cb 1.21 0.49 -0.01 0.00 -0.73 0.00 0.00 40.66 41.61 2qqt h LEU 376 CO 0.68 -0.26 0.40 1.12 -0.62 0.00 0.00 178.44 179.77 2qqt h HIS 377 N -0.08 0.00 0.00 1.25 2.07 -1.84 0.41 115.15 116.96 2qqt h HIS 377 Ca 0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.80 2qqt h HIS 377 Cb 0.52 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.50 2qqt h HIS 377 CO -0.58 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 174.53 2qqt n THR 378 N -3.33 0.06 -0.09 6.12 -2.24 -0.64 -3.56 114.28 110.61 2qqt n THR 378 Ca 0.03 0.02 0.04 0.00 -2.27 0.00 0.00 64.05 61.87 2qqt n THR 378 Cb 0.52 -0.56 0.10 0.00 -2.10 0.00 0.00 70.33 68.30 2qqt n THR 378 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qqt n LEU 379 N -1.19 2.59 -4.68 3.22 4.77 0.15 -4.77 117.00 117.09 2qqt n LEU 379 Ca 0.16 -1.92 -0.42 0.00 -0.03 0.00 0.00 56.01 53.80 2qqt n LEU 379 Cb 0.18 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2qqt n LEU 379 CO 0.20 0.64 0.90 -0.36 -1.33 0.00 0.00 177.39 177.44 2qqt s PHE 380 N -0.97 3.29 -1.55 -1.77 0.08 -1.23 -2.42 117.98 113.40 2qqt s PHE 380 Ca 0.16 1.35 -0.01 0.00 0.12 0.00 0.00 56.93 58.56 2qqt s PHE 380 Cb 0.09 -3.34 0.00 0.00 -0.57 0.00 0.00 43.02 39.20 2qqt s PHE 380 CO 0.11 -0.90 0.09 1.19 -0.10 0.00 0.00 175.22 175.61 2qqt n PHE 381 N 5.27 -1.02 -3.40 0.36 3.72 -0.84 -4.92 117.46 116.64 2qqt n PHE 381 Ca 0.10 0.07 -0.44 0.00 -0.05 0.00 0.00 57.45 57.14 2qqt n PHE 381 Cb 0.47 -3.72 -0.07 0.00 -0.94 0.00 0.00 39.48 35.22 2qqt n PHE 381 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2qqt s ASN 382 N -2.26 6.06 -0.06 4.37 3.84 -1.19 -4.03 114.94 121.68 2qqt s ASN 382 Ca 0.04 -1.55 0.16 0.00 0.21 0.00 0.00 52.86 51.73 2qqt s ASN 382 Cb -0.02 -2.15 -0.25 0.00 -0.55 0.00 0.00 41.25 38.28 2qqt s ASN 382 CO 0.05 -0.71 0.28 0.35 -2.79 0.00 0.00 177.10 174.29 2qqt n THR 383 N 5.16 0.33 0.20 -5.21 -2.24 -1.26 -4.47 114.28 106.79 2qqt n THR 383 Ca -0.12 -0.48 0.06 0.00 -2.27 0.00 0.00 64.05 61.24 2qqt n THR 383 Cb 0.42 -0.10 0.54 0.00 -2.10 0.00 0.00 70.33 69.09 2qqt n THR 383 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 2qqt h TRP 384 N 0.00 0.10 0.00 4.78 5.08 -1.86 -1.57 115.95 122.48 2qqt h TRP 384 Ca -0.13 -0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.84 2qqt h TRP 384 Cb 1.15 -0.03 0.00 0.00 -3.00 0.00 0.00 29.16 27.28 2qqt h TRP 384 CO 0.00 0.14 0.00 0.00 -1.28 0.00 0.00 178.44 177.30 2qqt h ARG 385 N 0.11 0.00 0.00 0.12 2.47 -1.95 0.51 114.38 115.64 2qqt h ARG 385 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2qqt h ARG 385 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 2qqt h ARG 385 CO 0.00 0.00 -0.39 0.82 0.56 0.00 0.00 179.97 180.97 2qqt h ILE 386 N 0.00 0.00 -0.42 2.04 2.04 -1.58 -2.89 117.51 116.70 2qqt h ILE 386 Ca 0.00 -0.98 0.06 0.00 1.00 0.00 0.00 64.86 64.93 2qqt h ILE 386 Cb 0.41 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.44 2qqt h ILE 386 CO 0.00 0.00 0.13 0.40 0.00 0.00 0.00 178.15 178.68 2qqt h ILE 387 N -0.98 0.85 -0.02 -0.67 1.08 -1.48 -0.36 117.51 115.92 2qqt h ILE 387 Ca 0.00 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 2qqt h ILE 387 Cb 0.39 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 2qqt h ILE 387 CO 0.00 0.05 -0.00 0.29 -0.69 0.00 0.00 178.15 177.80 2qqt n LYS 388 N -5.03 1.43 -2.43 2.37 5.02 0.17 -4.65 118.16 115.03 2qqt n LYS 388 Ca 0.03 -1.53 -0.19 0.00 -2.02 0.00 0.00 58.31 54.60 2qqt n LYS 388 Cb 0.17 -1.33 0.02 0.00 -0.02 0.00 0.00 35.03 33.86 2qqt n LYS 388 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2qqt n ASP 389 N 0.97 3.73 0.00 4.39 2.03 -1.09 -4.98 116.55 121.61 2qqt n ASP 389 Ca 0.10 -3.30 0.00 0.00 0.52 0.00 0.00 54.79 52.11 2qqt n ASP 389 Cb 0.44 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2qqt n ASP 389 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qqt n GLY 390 N -0.49 0.74 7.00 0.27 0.00 -1.25 -4.80 105.19 106.66 2qqt n GLY 390 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2qqt n GLY 390 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qqt n GLY 391 N -1.44 -1.49 0.04 -0.02 0.00 -0.15 -4.48 105.19 97.66 2qqt n GLY 391 Ca 0.00 -1.29 0.11 0.00 0.00 0.00 0.00 46.02 44.85 2qqt n GLY 391 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2qqt n ILE 392 N -0.22 0.21 -0.22 -0.61 -6.64 -1.26 -4.42 119.36 106.20 2qqt n ILE 392 Ca 0.00 -0.46 0.03 0.00 -1.77 0.00 0.00 62.75 60.54 2qqt n ILE 392 Cb 0.00 -0.04 0.14 0.00 -1.44 0.00 0.00 39.64 38.30 2qqt n ILE 392 CO 0.00 0.00 0.00 0.44 -1.77 0.00 0.00 176.55 175.22 2qqt h ASP 393 N 0.00 0.07 -0.39 7.28 5.19 -1.98 0.65 116.42 127.24 2qqt h ASP 393 Ca 0.00 0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 2qqt h ASP 393 Cb 0.94 0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.58 2qqt h ASP 393 CO 0.00 0.02 0.19 -0.65 -3.12 0.00 0.00 179.24 175.68 2qqt h PRO 394 N 0.30 0.60 -0.08 3.56 0.11 -1.78 -1.99 132.00 132.73 2qqt h PRO 394 Ca 0.36 -0.07 -0.23 0.00 0.11 0.00 0.00 66.00 66.16 2qqt h PRO 394 Cb 0.54 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.55 2qqt h PRO 394 CO -0.42 0.49 -0.87 -0.07 -0.21 0.00 0.00 178.00 176.91 2qqt h LEU 395 N 0.61 0.81 -1.20 2.35 3.38 -1.40 -2.77 115.31 117.09 2qqt h LEU 395 Ca 0.15 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 2qqt h LEU 395 Cb 0.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2qqt h LEU 395 CO -0.02 1.37 0.16 0.58 0.09 0.00 0.00 178.44 180.62 2qqt h VAL 396 N 0.42 1.20 -0.16 1.22 2.07 -0.66 -1.24 116.25 119.09 2qqt h VAL 396 Ca -0.08 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.70 2qqt h VAL 396 Cb 1.50 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2qqt h VAL 396 CO 0.17 0.25 -0.27 0.03 0.02 0.00 0.00 177.57 177.77 2qqt h ARG 397 N 0.70 0.30 -0.25 1.57 3.08 -1.37 -1.71 114.38 116.70 2qqt h ARG 397 Ca 0.16 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 2qqt h ARG 397 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2qqt h ARG 397 CO -0.01 0.55 -0.33 0.78 -1.07 0.00 0.00 179.97 179.89 2qqt h GLY 398 N 1.01 0.57 1.39 0.04 0.00 -1.14 -1.11 103.07 103.83 2qqt h GLY 398 Ca 0.04 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 2qqt h GLY 398 CO 0.04 0.47 0.02 1.41 0.00 0.00 0.00 176.54 178.48 2qqt h LEU 399 N 0.44 0.71 0.00 3.11 3.38 -0.40 0.12 115.31 122.68 2qqt h LEU 399 Ca 0.05 -0.16 -0.18 0.00 0.09 0.00 0.00 57.88 57.68 2qqt h LEU 399 Cb 0.80 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2qqt h LEU 399 CO 0.06 0.77 -0.97 -0.07 0.09 0.00 0.00 178.44 178.32 2qqt h LEU 400 N 0.70 0.00 0.00 1.67 3.38 -1.19 -2.92 115.31 116.95 2qqt h LEU 400 Ca 0.14 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 2qqt h LEU 400 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2qqt h LEU 400 CO 0.01 0.77 -2.08 0.00 0.09 0.00 0.00 178.44 177.24 2qqt n ALA 401 N -2.34 2.35 -2.20 1.53 0.00 -0.44 -4.48 120.51 114.94 2qqt n ALA 401 Ca -0.03 -0.76 -0.21 0.00 0.00 0.00 0.00 53.44 52.44 2qqt n ALA 401 Cb 0.87 -0.53 0.02 0.00 0.00 0.00 0.00 19.45 19.81 2qqt n ALA 401 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qqt s LYS 402 N -3.12 2.88 0.26 0.00 -0.14 0.01 -4.85 119.74 114.78 2qqt s LYS 402 Ca -0.08 -0.70 0.06 0.00 -1.36 0.00 0.00 55.97 53.89 2qqt s LYS 402 Cb 0.11 -2.58 -0.03 0.00 -1.68 0.00 0.00 37.83 33.65 2qqt s LYS 402 CO 0.84 -0.38 0.28 0.15 -0.76 0.00 0.00 175.35 175.48 2qqt s LYS 403 N -4.57 3.14 0.91 1.68 1.02 -1.26 -0.33 119.74 120.32 2qqt s LYS 403 Ca 0.51 -0.94 -0.14 0.00 0.02 0.00 0.00 55.97 55.42 2qqt s LYS 403 Cb -0.10 -2.71 0.15 0.00 -0.52 0.00 0.00 37.83 34.65 2qqt s LYS 403 CO 0.37 0.38 1.25 -1.12 -0.92 0.00 0.00 175.35 175.31 2qqt s SER 404 N -3.92 3.61 -0.05 2.83 0.01 -0.31 -4.14 113.70 111.72 2qqt s SER 404 Ca 0.34 0.53 -0.13 0.00 1.31 0.00 0.00 55.95 58.00 2qqt s SER 404 Cb -0.08 -0.79 -0.05 0.00 0.21 0.00 0.00 66.02 65.31 2qqt s SER 404 CO 0.27 -2.44 0.35 -0.75 0.41 0.00 0.00 173.24 171.07 2qqt s LYS 405 N -5.71 3.90 0.19 12.44 2.20 0.34 -1.27 119.74 131.83 2qqt s LYS 405 Ca 0.68 0.27 -0.26 0.00 -0.36 0.00 0.00 55.97 56.31 2qqt s LYS 405 Cb -0.08 -3.26 -0.08 0.00 -1.51 0.00 0.00 37.83 32.90 2qqt s LYS 405 CO 0.52 0.61 0.81 -1.17 -0.36 0.00 0.00 175.35 175.76 2qqt s LEU 406 N -0.74 4.56 0.23 5.43 2.96 -0.21 -4.18 118.68 126.73 2qqt s LEU 406 Ca 0.21 1.69 -0.30 0.00 -0.22 0.00 0.00 54.13 55.51 2qqt s LEU 406 Cb -0.15 -3.42 -0.09 0.00 0.50 0.00 0.00 46.19 43.03 2qqt s LEU 406 CO 0.10 0.17 1.19 -0.32 -1.32 0.00 0.00 176.35 176.17 2qqt s MET 407 N -1.29 4.51 -0.10 1.98 -2.45 -1.26 -4.88 119.30 115.80 2qqt s MET 407 Ca 0.38 1.91 -0.05 0.00 -1.25 0.00 0.00 55.69 56.69 2qqt s MET 407 Cb -0.23 -3.20 0.04 0.00 1.25 0.00 0.00 34.83 32.69 2qqt s MET 407 CO 0.27 -0.04 0.22 1.21 1.05 0.00 0.00 175.02 177.73 2qqt s ASN 408 N -0.18 -0.23 0.57 1.11 3.84 -1.25 -5.05 114.94 113.75 2qqt s ASN 408 Ca 0.51 0.47 0.27 0.00 0.21 0.00 0.00 52.86 54.33 2qqt s ASN 408 Cb -0.34 0.36 1.54 0.00 -0.55 0.00 0.00 41.25 42.26 2qqt s ASN 408 CO 0.40 -0.16 2.03 1.56 -2.79 0.00 0.00 177.10 178.13 2qqt h GLN 409 N 7.18 0.00 -0.02 0.43 4.20 -1.92 -1.13 115.11 123.85 2qqt h GLN 409 Ca -0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.30 2qqt h GLN 409 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 2qqt h GLN 409 CO 0.39 0.00 -0.15 -0.25 -0.67 0.00 0.00 178.83 178.15 2qqt n ASP 410 N -3.94 2.12 -3.05 1.46 8.00 -1.26 -4.70 116.55 115.18 2qqt n ASP 410 Ca 0.05 -1.56 -0.18 0.00 0.71 0.00 0.00 54.79 53.81 2qqt n ASP 410 Cb 0.47 0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.74 2qqt n ASP 410 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2qqt n LYS 411 N 0.51 0.67 0.06 -1.24 5.02 -0.45 -4.78 118.16 117.96 2qqt n LYS 411 Ca 0.09 -2.69 -0.03 0.00 -2.02 0.00 0.00 58.31 53.66 2qqt n LYS 411 Cb 0.40 -1.35 -0.02 0.00 -0.02 0.00 0.00 35.03 34.04 2qqt n LYS 411 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 2qqt h MET 412 N 4.22 -0.21 -5.11 1.97 2.86 -1.52 -3.33 114.93 113.80 2qqt h MET 412 Ca 0.02 0.01 -0.64 0.00 -2.06 0.00 0.00 59.70 57.03 2qqt h MET 412 Cb 0.94 0.05 -0.33 0.00 0.06 0.00 0.00 31.60 32.32 2qqt h MET 412 CO 0.39 -0.14 -0.86 0.08 1.06 0.00 0.00 176.91 177.43 2qqt s VAL 413 N -2.26 1.85 0.59 -2.22 1.01 -1.07 -4.42 120.40 113.89 2qqt s VAL 413 Ca -0.03 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 2qqt s VAL 413 Cb 0.00 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 2qqt s VAL 413 CO 0.10 0.51 1.32 0.28 0.00 0.00 0.00 175.10 177.31 2qqt s THR 414 N 0.58 2.09 0.48 3.92 -1.32 -1.26 -4.57 115.64 115.55 2qqt s THR 414 Ca -0.14 0.06 0.41 0.00 -1.21 0.00 0.00 61.69 60.81 2qqt s THR 414 Cb -0.17 -3.03 0.42 0.00 -1.51 0.00 0.00 72.50 68.22 2qqt s THR 414 CO 0.04 -0.01 2.24 0.28 -2.21 0.00 0.00 174.62 174.97 2qqt h SER 415 N 1.02 0.00 -0.04 8.08 0.02 -1.95 0.63 113.55 121.31 2qqt h SER 415 Ca -0.51 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.43 2qqt h SER 415 Cb 1.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 2qqt h SER 415 CO 0.55 0.00 0.00 -0.33 -1.14 0.00 0.00 176.83 175.91 2qqt h GLU 416 N 0.00 0.12 0.00 3.45 4.39 -1.93 -1.84 114.58 118.77 2qqt h GLU 416 Ca 0.00 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.56 2qqt h GLU 416 Cb 0.11 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2qqt h GLU 416 CO 0.00 0.14 -1.84 1.28 -1.16 0.00 0.00 179.01 177.43 2qqt n LEU 417 N -4.46 0.00 0.16 1.33 4.77 -0.30 -3.45 117.00 115.05 2qqt n LEU 417 Ca -0.02 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.09 2qqt n LEU 417 Cb 0.13 0.17 0.23 0.00 -2.33 0.00 0.00 43.42 41.62 2qqt n LEU 417 CO 0.35 0.17 0.73 -0.09 -1.33 0.00 0.00 177.39 177.22 2qqt h ARG 418 N 0.00 0.00 0.00 3.23 2.43 -0.76 -1.83 114.38 117.45 2qqt h ARG 418 Ca -0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2qqt h ARG 418 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2qqt h ARG 418 CO 0.01 0.00 -0.10 0.09 -1.51 0.00 0.00 179.97 178.46 2qqt n ASN 419 N -2.73 0.51 -0.23 -3.80 3.02 -0.71 -4.22 115.26 107.11 2qqt n ASN 419 Ca 0.04 -0.01 0.09 0.00 -0.03 0.00 0.00 54.58 54.67 2qqt n ASN 419 Cb 0.49 0.11 0.16 0.00 -0.61 0.00 0.00 39.78 39.94 2qqt n ASN 419 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2qqt n LYS 420 N -0.17 1.42 -2.17 3.52 5.02 -1.14 -3.67 118.16 120.97 2qqt n LYS 420 Ca 0.00 -2.75 -0.41 0.00 -2.02 0.00 0.00 58.31 53.13 2qqt n LYS 420 Cb 0.00 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.44 2qqt n LYS 420 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2qqt s LEU 421 N -2.96 4.44 -0.18 -0.35 2.96 -1.01 -4.29 118.68 117.30 2qqt s LEU 421 Ca 0.34 2.60 -0.08 0.00 -0.22 0.00 0.00 54.13 56.77 2qqt s LEU 421 Cb 0.30 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 2qqt s LEU 421 CO 0.01 -0.49 0.07 0.12 -1.32 0.00 0.00 176.35 174.74 2qqt s PHE 422 N -0.97 3.27 0.12 5.38 5.36 -1.26 -1.25 117.98 128.63 2qqt s PHE 422 Ca 0.49 0.11 0.02 0.00 -0.96 0.00 0.00 56.93 56.59 2qqt s PHE 422 Cb -0.38 -2.08 -0.04 0.00 -0.34 0.00 0.00 43.02 40.18 2qqt s PHE 422 CO 0.49 0.19 0.25 -0.65 -1.46 0.00 0.00 175.22 174.04 2qqt s GLN 423 N 0.30 3.40 0.09 10.12 -1.52 -1.26 -4.99 119.66 125.80 2qqt s GLN 423 Ca 0.04 -0.55 -0.20 0.00 -1.95 0.00 0.00 55.36 52.70 2qqt s GLN 423 Cb -0.12 -2.97 -0.09 0.00 -0.22 0.00 0.00 33.01 29.60 2qqt s GLN 423 CO -0.00 0.55 1.60 -1.35 -0.25 0.00 0.00 175.29 175.84 2qqt h PRO 424 N 2.52 0.31 0.16 2.91 0.11 -1.99 -3.20 132.00 132.82 2qqt h PRO 424 Ca -0.47 -0.06 -0.31 0.00 0.11 0.00 0.00 66.00 65.27 2qqt h PRO 424 Cb 1.18 -0.04 0.03 0.00 0.11 0.00 0.00 31.00 32.28 2qqt h PRO 424 CO 0.71 0.40 -1.32 1.15 -0.21 0.00 0.00 178.00 178.73 2qqt h THR 425 N 0.15 1.30 -1.56 -1.15 2.02 -2.00 -3.42 112.91 108.26 2qqt h THR 425 Ca 0.06 -2.59 -0.47 0.00 0.77 0.00 0.00 66.41 64.19 2qqt h THR 425 Cb 0.22 2.82 0.05 0.00 -1.74 0.00 0.00 68.15 69.50 2qqt h THR 425 CO -0.00 0.78 -0.04 -1.00 0.37 0.00 0.00 175.52 175.63 2qqt s HIS 426 N -2.84 1.84 -1.39 3.16 3.76 -1.21 -5.05 115.29 113.55 2qqt s HIS 426 Ca -0.09 -0.44 0.14 0.00 -0.15 0.00 0.00 55.06 54.53 2qqt s HIS 426 Cb 0.05 -2.57 0.33 0.00 1.11 0.00 0.00 32.58 31.50 2qqt s HIS 426 CO 0.93 -1.21 1.23 1.63 -0.85 0.00 0.00 174.74 176.48 2qqt n LYS 427 N -2.41 2.34 -4.30 1.40 5.02 -1.26 -4.72 118.16 114.23 2qqt n LYS 427 Ca 0.13 -1.99 -0.17 0.00 -2.02 0.00 0.00 58.31 54.26 2qqt n LYS 427 Cb 0.61 -1.34 -0.10 0.00 -0.02 0.00 0.00 35.03 34.18 2qqt n LYS 427 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2qqt s ILE 428 N -1.06 1.48 -1.11 -0.18 -4.36 -1.26 -5.05 121.20 109.66 2qqt s ILE 428 Ca 0.27 -2.14 -0.07 0.00 -0.26 0.00 0.00 60.65 58.46 2qqt s ILE 428 Cb 0.15 -1.95 0.29 0.00 1.25 0.00 0.00 42.46 42.20 2qqt s ILE 428 CO 0.20 -0.66 1.34 1.41 0.24 0.00 0.00 174.94 177.48 2qqt n HIS 429 N -0.28 3.62 -2.10 1.37 8.25 -1.26 -4.28 115.22 120.53 2qqt n HIS 429 Ca -0.09 -3.17 0.00 0.00 -0.26 0.00 0.00 57.72 54.20 2qqt n HIS 429 Cb 0.60 -1.49 -0.00 0.00 1.12 0.00 0.00 29.99 30.22 2qqt n HIS 429 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qqt n GLY 430 N 2.00 0.72 3.95 -1.41 0.00 -1.10 -4.31 105.19 105.03 2qqt n GLY 430 Ca 0.26 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2qqt n GLY 430 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qqt s PHE 431 N 0.00 2.97 -0.29 1.61 0.40 -0.38 -4.73 117.98 117.56 2qqt s PHE 431 Ca 0.07 0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.63 2qqt s PHE 431 Cb 0.08 -2.80 0.08 0.00 0.51 0.00 0.00 43.02 40.89 2qqt s PHE 431 CO -0.03 -0.93 0.00 0.34 0.70 0.00 0.00 175.22 175.30 2qqt s ASP 432 N -4.41 4.35 0.37 1.36 -1.08 -1.26 -2.39 116.67 113.61 2qqt s ASP 432 Ca 0.56 -1.68 0.05 0.00 -0.52 0.00 0.00 52.55 50.96 2qqt s ASP 432 Cb -0.10 -1.37 0.72 0.00 -1.46 0.00 0.00 42.92 40.71 2qqt s ASP 432 CO 0.41 -0.31 1.99 0.25 0.52 0.00 0.00 175.17 178.02 2qqt h LEU 433 N 7.81 0.54 -0.60 -1.34 5.85 -1.58 0.13 115.31 126.12 2qqt h LEU 433 Ca -0.12 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.46 2qqt h LEU 433 Cb 1.04 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 2qqt h LEU 433 CO 0.47 0.46 -0.01 0.00 -0.34 0.00 0.00 178.44 179.02 2qqt h ALA 434 N 1.63 0.81 -0.05 1.25 0.00 -1.90 -0.67 119.26 120.33 2qqt h ALA 434 Ca 0.16 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.55 2qqt h ALA 434 Cb 0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2qqt h ALA 434 CO -0.02 0.67 -0.80 0.00 0.00 0.00 0.00 179.25 179.09 2qqt h ALA 435 N 0.98 0.51 -0.03 0.00 0.00 -1.70 -2.62 119.26 116.40 2qqt h ALA 435 Ca 0.17 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2qqt h ALA 435 Cb 0.58 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2qqt h ALA 435 CO 0.03 0.78 0.02 0.82 0.00 0.00 0.00 179.25 180.91 2qqt h ILE 436 N 0.26 1.08 -0.26 0.00 1.08 -0.81 -0.25 117.51 118.60 2qqt h ILE 436 Ca -0.05 -0.22 0.06 0.00 -0.39 0.00 0.00 64.86 64.27 2qqt h ILE 436 Cb 1.40 1.16 -0.07 0.00 -3.07 0.00 0.00 36.82 36.24 2qqt h ILE 436 CO 0.14 0.06 -0.23 0.78 -0.69 0.00 0.00 178.15 178.21 2qqt h ASN 437 N -0.03 -0.75 -0.59 1.72 -0.26 -1.06 0.37 115.58 114.98 2qqt h ASN 437 Ca 0.01 0.14 -0.03 0.00 -0.56 0.00 0.00 56.30 55.86 2qqt h ASN 437 Cb 0.09 0.36 -0.03 0.00 -1.06 0.00 0.00 38.32 37.68 2qqt h ASN 437 CO -0.00 -0.27 0.26 -0.07 -1.06 0.00 0.00 177.43 176.29 2qqt h LEU 438 N -0.23 0.82 -0.90 1.61 3.38 -1.35 -1.34 115.31 117.30 2qqt h LEU 438 Ca 0.14 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2qqt h LEU 438 Cb 0.45 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2qqt h LEU 438 CO -0.39 0.73 -0.38 -0.61 0.09 0.00 0.00 178.44 177.87 2qqt h GLN 439 N 0.89 0.33 0.00 1.13 5.75 -0.03 -2.80 115.11 120.39 2qqt h GLN 439 Ca 0.21 -0.15 -0.12 0.00 -0.15 0.00 0.00 58.65 58.44 2qqt h GLN 439 Cb 0.15 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 2qqt h GLN 439 CO -0.02 0.67 -0.58 -0.09 -2.65 0.00 0.00 178.83 176.16 2qqt h ARG 440 N 0.28 0.00 -0.50 1.69 9.65 0.61 -2.14 114.38 123.97 2qqt h ARG 440 Ca 0.03 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2qqt h ARG 440 Cb 0.80 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.36 2qqt h ARG 440 CO 0.06 0.58 0.31 0.00 2.80 0.00 0.00 179.97 183.72 2qqt h ARG 442 N 0.67 0.62 -0.82 0.00 3.08 -1.50 -2.03 114.38 114.41 2qqt h ARG 442 Ca 0.18 -0.32 0.11 0.00 0.07 0.00 0.00 59.98 60.02 2qqt h ARG 442 Cb -0.03 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.94 2qqt h ARG 442 CO -0.04 0.91 0.45 0.22 -1.07 0.00 0.00 179.97 180.45 2qqt h ASP 443 N 0.35 0.61 -0.02 7.04 3.58 -1.19 -0.59 116.42 126.20 2qqt h ASP 443 Ca 0.05 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2qqt h ASP 443 Cb 0.78 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2qqt h ASP 443 CO 0.06 0.33 0.00 1.41 -2.88 0.00 0.00 179.24 178.16 2qqt n HIS 444 N -4.79 0.02 -3.48 0.28 8.25 -0.34 -4.84 115.22 110.32 2qqt n HIS 444 Ca 0.14 -0.01 -0.20 0.00 -0.26 0.00 0.00 57.72 57.39 2qqt n HIS 444 Cb 0.32 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.51 2qqt n HIS 444 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qqt n GLY 445 N 0.94 -0.42 3.76 -1.41 0.00 -0.23 -4.84 105.19 102.99 2qqt n GLY 445 Ca 0.18 0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 2qqt n GLY 445 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qqt s MET 446 N -5.81 4.69 0.75 1.61 -1.94 -0.80 -0.83 119.30 116.96 2qqt s MET 446 Ca 0.29 1.67 -0.11 0.00 -1.71 0.00 0.00 55.69 55.83 2qqt s MET 446 Cb -0.13 -3.17 0.04 0.00 2.01 0.00 0.00 34.83 33.58 2qqt s MET 446 CO 0.71 0.30 1.09 -2.14 -0.01 0.00 0.00 175.02 174.97 2qqt s PRO 447 N -1.43 2.42 1.16 2.03 0.02 -1.26 -4.72 135.00 133.21 2qqt s PRO 447 Ca 0.44 1.16 -0.17 0.00 0.02 0.00 0.00 61.00 62.45 2qqt s PRO 447 Cb -0.29 -1.92 0.27 0.00 0.02 0.00 0.00 34.50 32.58 2qqt s PRO 447 CO 0.37 -1.52 1.08 0.20 -0.33 0.00 0.00 177.00 176.79 2qqt s GLY 448 N -3.37 1.55 0.21 0.52 0.00 -1.26 -4.45 107.32 100.53 2qqt s GLY 448 Ca 0.61 -0.68 -0.09 0.00 0.00 0.00 0.00 44.72 44.56 2qqt s GLY 448 CO 0.54 0.12 1.72 -1.82 0.00 0.00 0.00 173.10 173.67 2qqt h TYR 449 N -2.47 0.32 0.00 1.90 3.20 -1.05 -2.03 116.97 116.84 2qqt h TYR 449 Ca -0.50 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.36 2qqt h TYR 449 Cb 1.32 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.53 2qqt h TYR 449 CO -1.23 0.04 -0.20 -0.91 -1.64 0.00 0.00 178.16 174.22 2qqt h ASN 450 N 0.35 0.00 -0.52 -2.11 2.35 -1.82 -1.76 115.58 112.07 2qqt h ASN 450 Ca 0.32 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.95 2qqt h ASN 450 Cb 0.45 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 2qqt h ASN 450 CO -0.36 0.20 -0.14 0.28 -1.65 0.00 0.00 177.43 175.76 2qqt h SER 451 N 0.00 1.02 0.71 5.81 0.02 -1.70 -2.15 113.55 117.26 2qqt h SER 451 Ca -0.00 -0.37 -0.14 0.00 -0.84 0.00 0.00 61.79 60.44 2qqt h SER 451 Cb 0.55 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2qqt h SER 451 CO 0.03 1.15 -0.68 -0.50 -1.14 0.00 0.00 176.83 175.69 2qqt h TRP 452 N 0.88 0.00 -0.22 3.45 4.06 -1.34 -1.46 115.95 121.32 2qqt h TRP 452 Ca 0.13 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.04 2qqt h TRP 452 Cb 0.71 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.87 2qqt h TRP 452 CO 0.05 0.68 -0.03 0.00 -3.56 0.00 0.00 178.44 175.57 2qqt h ARG 453 N 0.00 0.41 -0.17 0.49 2.47 -1.22 -1.66 114.38 114.70 2qqt h ARG 453 Ca -0.01 -0.15 0.02 0.00 -1.26 0.00 0.00 59.98 58.59 2qqt h ARG 453 Cb 1.22 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.49 2qqt h ARG 453 CO 0.09 0.64 0.02 0.78 0.56 0.00 0.00 179.97 182.06 2qqt h GLY 454 N 0.15 0.18 0.06 0.04 0.00 -1.33 0.25 103.07 102.42 2qqt h GLY 454 Ca 0.06 -0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.56 2qqt h GLY 454 CO 0.02 -0.01 0.44 -2.75 0.00 0.00 0.00 176.54 174.24 2qqt h PHE 455 N 0.09 0.77 -0.22 5.60 3.57 -1.11 0.22 116.94 125.86 2qqt h PHE 455 Ca 0.08 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2qqt h PHE 455 Cb 0.08 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.61 2qqt h PHE 455 CO -0.14 0.10 0.00 0.00 -2.23 0.00 0.00 178.31 176.04 2qqt n GLY 457 N 1.05 -0.20 3.39 0.00 0.00 0.79 -5.03 105.19 105.19 2qqt n GLY 457 Ca 0.14 0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 2qqt n GLY 457 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qqt s LEU 458 N -5.65 2.42 0.92 0.99 1.43 0.74 -5.00 118.68 114.52 2qqt s LEU 458 Ca 0.24 -0.84 -0.14 0.00 -1.03 0.00 0.00 54.13 52.35 2qqt s LEU 458 Cb -0.10 -1.08 0.01 0.00 0.03 0.00 0.00 46.19 45.04 2qqt s LEU 458 CO 0.57 0.09 0.30 -1.54 0.23 0.00 0.00 176.35 175.99 2qqt n SER 459 N 0.38 -2.38 -3.80 2.29 3.41 -1.26 -3.93 113.62 108.33 2qqt n SER 459 Ca -0.14 0.35 -0.30 0.00 -0.26 0.00 0.00 58.87 58.52 2qqt n SER 459 Cb 0.56 -1.16 -0.15 0.00 -0.26 0.00 0.00 64.21 63.20 2qqt n SER 459 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2qqt s GLN 460 N -3.34 0.95 0.32 4.33 -0.21 -1.26 -4.72 119.66 115.74 2qqt s GLN 460 Ca 0.56 -1.37 -0.29 0.00 0.02 0.00 0.00 55.36 54.29 2qqt s GLN 460 Cb -0.23 -2.31 -0.10 0.00 1.00 0.00 0.00 33.01 31.37 2qqt s GLN 460 CO 0.68 -1.00 1.30 -1.25 -2.12 0.00 0.00 175.29 172.90 2qqt s PRO 461 N 1.31 4.37 -0.01 2.91 0.05 -1.26 -4.91 135.00 137.45 2qqt s PRO 461 Ca 0.11 2.20 0.05 0.00 0.05 0.00 0.00 61.00 63.41 2qqt s PRO 461 Cb -0.18 -3.08 -0.08 0.00 0.05 0.00 0.00 34.50 31.21 2qqt s PRO 461 CO -0.19 -0.18 0.11 1.63 0.05 0.00 0.00 177.00 178.43 2qqt n LYS 462 N 0.90 0.31 -4.34 4.56 4.76 -1.26 -4.55 118.16 118.54 2qqt n LYS 462 Ca 0.00 -0.04 -0.24 0.00 -2.87 0.00 0.00 58.31 55.16 2qqt n LYS 462 Cb 0.42 -1.11 -0.08 0.00 -1.84 0.00 0.00 35.03 32.42 2qqt n LYS 462 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2qqt s THR 463 N -2.32 3.18 0.16 -0.18 -4.23 -1.26 -4.62 115.64 106.37 2qqt s THR 463 Ca -0.02 -2.01 -0.22 0.00 -1.18 0.00 0.00 61.69 58.26 2qqt s THR 463 Cb 0.03 -2.68 0.05 0.00 1.34 0.00 0.00 72.50 71.24 2qqt s THR 463 CO 0.21 -0.36 1.62 0.25 -0.54 0.00 0.00 174.62 175.80 2qqt h LEU 464 N 2.08 -0.84 -1.78 4.79 6.46 -1.96 0.32 115.31 124.38 2qqt h LEU 464 Ca -0.43 0.16 0.06 0.00 -0.12 0.00 0.00 57.88 57.55 2qqt h LEU 464 Cb 1.25 0.40 -0.02 0.00 -0.73 0.00 0.00 40.66 41.56 2qqt h LEU 464 CO 0.60 -0.28 0.27 0.50 -0.62 0.00 0.00 178.44 178.91 2qqt h LYS 465 N -0.23 0.26 -0.18 1.25 1.63 -1.99 0.20 116.57 117.52 2qqt h LYS 465 Ca 0.16 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.90 2qqt h LYS 465 Cb 0.48 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.04 2qqt h LYS 465 CO -0.45 0.17 -0.08 0.78 -3.45 0.00 0.00 179.45 176.42 2qqt h GLY 466 N 0.27 0.40 1.36 5.01 0.00 -0.87 -2.99 103.07 106.25 2qqt h GLY 466 Ca 0.18 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 2qqt h GLY 466 CO -0.04 0.32 -0.08 -2.00 0.00 0.00 0.00 176.54 174.75 2qqt h LEU 467 N 0.05 0.75 -0.51 3.11 5.85 0.28 -2.56 115.31 122.28 2qqt h LEU 467 Ca 0.04 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.59 2qqt h LEU 467 Cb 0.55 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2qqt h LEU 467 CO 0.02 0.86 0.28 1.56 -0.34 0.00 0.00 178.44 180.83 2qqt h GLN 468 N 0.70 0.53 -0.57 1.25 4.20 -1.01 0.17 115.11 120.39 2qqt h GLN 468 Ca 0.13 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 2qqt h GLN 468 Cb 0.54 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2qqt h GLN 468 CO 0.03 0.35 0.16 1.15 -0.67 0.00 0.00 178.83 179.85 2qqt h THR 469 N 0.55 1.24 -0.03 -0.54 2.02 -1.36 1.19 112.91 115.98 2qqt h THR 469 Ca 0.22 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 2qqt h THR 469 Cb 0.09 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2qqt h THR 469 CO -0.13 0.31 -0.03 0.58 0.37 0.00 0.00 175.52 176.63 2qqt h VAL 470 N 0.80 1.36 0.00 3.16 2.07 -1.05 -2.95 116.25 119.64 2qqt h VAL 470 Ca 0.18 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2qqt h VAL 470 Cb 0.31 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2qqt h VAL 470 CO -0.00 0.30 0.00 -0.07 0.02 0.00 0.00 177.57 177.82 2qqt h LEU 471 N -0.36 0.00 -1.05 2.57 4.07 -0.64 -3.42 115.31 116.48 2qqt h LEU 471 Ca 0.01 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.48 2qqt h LEU 471 Cb 0.50 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.18 2qqt h LEU 471 CO 0.01 0.00 -0.77 0.29 -1.08 0.00 0.00 178.44 176.88 2qqt n LYS 472 N -2.38 -5.11 -3.23 1.13 5.02 0.41 -4.49 118.16 109.49 2qqt n LYS 472 Ca 0.03 0.56 -0.02 0.00 -2.02 0.00 0.00 58.31 56.86 2qqt n LYS 472 Cb 0.33 -5.40 -0.04 0.00 -0.02 0.00 0.00 35.03 29.90 2qqt n LYS 472 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2qqt s ASN 473 N -3.36 -0.65 0.13 4.39 3.84 -0.84 -5.02 114.94 113.43 2qqt s ASN 473 Ca 0.64 0.33 -0.21 0.00 0.21 0.00 0.00 52.86 53.83 2qqt s ASN 473 Cb -0.33 1.65 -0.02 0.00 -0.55 0.00 0.00 41.25 42.00 2qqt s ASN 473 CO 0.85 -0.30 1.68 0.11 -2.79 0.00 0.00 177.10 176.65 2qqt h LYS 474 N 8.08 -0.12 -0.16 0.43 1.57 -1.93 -2.38 116.57 122.05 2qqt h LYS 474 Ca -0.15 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 2qqt h LYS 474 Cb 1.16 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2qqt h LYS 474 CO 0.24 -0.08 0.04 0.82 -0.57 0.00 0.00 179.45 179.90 2qqt h ILE 475 N -0.13 1.20 -0.34 1.86 2.04 -1.98 -1.32 117.51 118.83 2qqt h ILE 475 Ca 0.09 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 2qqt h ILE 475 Cb 0.27 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2qqt h ILE 475 CO -0.23 0.19 0.02 0.25 0.00 0.00 0.00 178.15 178.38 2qqt h LEU 476 N 0.07 0.57 -1.17 1.44 5.85 -1.94 0.10 115.31 120.24 2qqt h LEU 476 Ca 0.05 -0.29 0.16 0.00 0.84 0.00 0.00 57.88 58.64 2qqt h LEU 476 Cb 0.25 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 2qqt h LEU 476 CO -0.00 0.72 0.61 0.00 -0.34 0.00 0.00 178.44 179.43 2qqt h ALA 477 N 0.87 1.76 0.10 1.25 0.00 -1.39 0.21 119.26 122.06 2qqt h ALA 477 Ca 0.10 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2qqt h ALA 477 Cb 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2qqt h ALA 477 CO 0.01 -0.05 -0.05 -0.22 0.00 0.00 0.00 179.25 178.94 2qqt h LYS 478 N 0.75 -0.13 -0.68 0.00 3.64 -0.30 -1.69 116.57 118.16 2qqt h LYS 478 Ca 0.50 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.93 2qqt h LYS 478 Cb 0.79 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 2qqt h LYS 478 CO -0.27 0.17 0.42 0.87 -2.27 0.00 0.00 179.45 178.37 2qqt h LYS 479 N -0.44 0.79 -0.55 1.90 1.57 -0.18 -1.90 116.57 117.76 2qqt h LYS 479 Ca -0.01 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2qqt h LYS 479 Cb 0.37 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2qqt h LYS 479 CO 0.02 0.52 0.27 1.25 -0.57 0.00 0.00 179.45 180.94 2qqt h LEU 480 N 0.81 0.69 -0.01 2.94 5.85 -0.92 -2.62 115.31 122.04 2qqt h LEU 480 Ca 0.28 -0.06 -0.26 0.00 0.84 0.00 0.00 57.88 58.68 2qqt h LEU 480 Cb 0.05 -0.17 0.02 0.00 0.37 0.00 0.00 40.66 40.92 2qqt h LEU 480 CO -0.12 0.58 -1.02 0.24 -0.34 0.00 0.00 178.44 177.78 2qqt h MET 481 N 0.77 0.71 -0.36 1.25 2.86 -0.80 -1.74 114.93 117.63 2qqt h MET 481 Ca 0.19 -0.75 -0.00 0.00 -2.06 0.00 0.00 59.70 57.08 2qqt h MET 481 Cb 0.07 0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 2qqt h MET 481 CO -0.03 1.32 0.21 -0.44 1.06 0.00 0.00 176.91 179.03 2qqt h ASP 482 N 0.41 0.42 0.54 1.22 3.32 -1.22 0.63 116.42 121.73 2qqt h ASP 482 Ca -0.12 -0.02 -0.29 0.00 0.02 0.00 0.00 57.03 56.62 2qqt h ASP 482 Cb 1.67 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 41.08 2qqt h ASP 482 CO 0.20 0.33 -1.56 -0.07 -1.72 0.00 0.00 179.24 176.42 2qqt h LEU 483 N 0.49 0.14 0.00 1.55 3.38 -1.49 -3.40 115.31 115.98 2qqt h LEU 483 Ca 0.13 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2qqt h LEU 483 Cb -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2qqt h LEU 483 CO -0.02 1.20 -1.15 -1.22 0.09 0.00 0.00 178.44 177.33 2qqt n TYR 484 N -3.25 0.00 0.00 1.13 4.01 -0.66 -4.12 117.16 114.27 2qqt n TYR 484 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 2qqt n TYR 484 Cb 1.03 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.89 2qqt n TYR 484 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2qqt n LYS 485 N -1.66 0.00 -3.71 -0.72 4.76 0.22 -4.76 118.16 112.28 2qqt n LYS 485 Ca -0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 2qqt n LYS 485 Cb 0.29 -1.52 -0.10 0.00 -1.84 0.00 0.00 35.03 31.86 2qqt n LYS 485 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2qqt s THR 486 N -0.06 -0.01 -0.75 -0.18 -1.32 -1.26 -5.02 115.64 107.04 2qqt s THR 486 Ca 0.00 0.04 0.07 0.00 -1.21 0.00 0.00 61.69 60.59 2qqt s THR 486 Cb 0.00 -0.61 0.07 0.00 -1.51 0.00 0.00 72.50 70.45 2qqt s THR 486 CO 0.00 0.02 1.22 -2.65 -2.21 0.00 0.00 174.62 171.00 2qqt n PRO 487 N 3.46 0.04 0.07 7.08 -0.02 -1.26 -1.15 135.00 143.23 2qqt n PRO 487 Ca -0.18 0.54 0.12 0.00 -2.02 0.00 0.00 63.50 61.97 2qqt n PRO 487 Cb 0.56 -1.65 0.47 0.00 -0.02 0.00 0.00 33.50 32.86 2qqt n PRO 487 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2qqt n ASP 488 N -1.74 0.49 -0.00 2.55 8.00 -1.26 -3.32 116.55 121.27 2qqt n ASP 488 Ca -0.00 0.57 0.09 0.00 0.71 0.00 0.00 54.79 56.15 2qqt n ASP 488 Cb 0.02 -0.69 -0.12 0.00 -0.02 0.00 0.00 41.12 40.31 2qqt n ASP 488 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2qqt n ASN 489 N -1.98 0.82 -4.67 -2.24 4.13 -0.30 -4.25 115.26 106.78 2qqt n ASN 489 Ca 0.05 -0.76 -0.42 0.00 1.68 0.00 0.00 54.58 55.13 2qqt n ASN 489 Cb 0.34 1.17 -0.03 0.00 -1.54 0.00 0.00 39.78 39.72 2qqt n ASN 489 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2qqt s ILE 490 N -2.89 3.05 0.38 2.41 1.01 -1.21 -4.81 121.20 119.13 2qqt s ILE 490 Ca 0.04 0.18 -0.27 0.00 0.00 0.00 0.00 60.65 60.60 2qqt s ILE 490 Cb 0.14 -3.12 -0.11 0.00 0.01 0.00 0.00 42.46 39.38 2qqt s ILE 490 CO 0.78 -0.01 1.35 0.47 0.00 0.00 0.00 174.94 177.53 2qqt n ASP 491 N 7.06 3.04 -0.35 3.58 8.00 -1.26 -0.63 116.55 135.98 2qqt n ASP 491 Ca 0.19 1.19 0.09 0.00 0.71 0.00 0.00 54.79 56.96 2qqt n ASP 491 Cb 0.41 -1.53 0.28 0.00 -0.02 0.00 0.00 41.12 40.25 2qqt n ASP 491 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2qqt h ILE 492 N 2.53 0.86 -0.24 0.53 6.09 -1.87 -0.50 117.51 124.91 2qqt h ILE 492 Ca -0.48 -0.31 0.03 0.00 -1.37 0.00 0.00 64.86 62.72 2qqt h ILE 492 Cb 1.27 -0.13 -0.03 0.00 0.47 0.00 0.00 36.82 38.41 2qqt h ILE 492 CO 0.62 0.17 0.07 -0.25 -3.07 0.00 0.00 178.15 175.69 2qqt h TRP 493 N 0.91 0.12 0.14 2.19 7.01 -1.90 0.21 115.95 124.63 2qqt h TRP 493 Ca 0.51 0.01 -0.31 0.00 2.11 0.00 0.00 58.89 61.22 2qqt h TRP 493 Cb 0.62 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.66 2qqt h TRP 493 CO -0.00 0.05 -1.49 0.97 -2.79 0.00 0.00 178.44 175.18 2qqt h ILE 494 N 0.17 1.22 -0.04 2.65 2.10 -1.90 -2.88 117.51 118.83 2qqt h ILE 494 Ca 0.11 -2.81 0.01 0.00 1.08 0.00 0.00 64.86 63.25 2qqt h ILE 494 Cb 0.09 2.83 -0.02 0.00 -1.09 0.00 0.00 36.82 38.63 2qqt h ILE 494 CO -0.12 0.84 -0.05 1.23 -1.08 0.00 0.00 178.15 178.97 2qqt h GLY 495 N 1.39 -0.01 1.43 8.18 0.00 -0.99 -1.37 103.07 111.70 2qqt h GLY 495 Ca -0.23 0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 2qqt h GLY 495 CO 0.19 -0.06 0.05 -1.33 0.00 0.00 0.00 176.54 175.39 2qqt h GLY 496 N -0.07 0.76 1.88 4.60 0.00 -0.70 -3.05 103.07 106.49 2qqt h GLY 496 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2qqt h GLY 496 CO -0.08 0.42 -0.06 0.70 0.00 0.00 0.00 176.54 177.52 2qqt n ASN 497 N -4.26 0.08 -0.14 0.19 4.13 -0.98 -3.60 115.26 110.68 2qqt n ASN 497 Ca 0.03 0.41 0.13 0.00 1.68 0.00 0.00 54.58 56.83 2qqt n ASN 497 Cb 0.25 -0.41 0.41 0.00 -1.54 0.00 0.00 39.78 38.49 2qqt n ASN 497 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qqt n ALA 498 N -1.51 3.08 -1.79 5.41 0.00 -0.55 -4.93 120.51 120.21 2qqt n ALA 498 Ca 0.07 -0.34 -0.33 0.00 0.00 0.00 0.00 53.44 52.84 2qqt n ALA 498 Cb 0.34 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 2qqt n ALA 498 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qqt s GLU 499 N -2.65 3.87 0.75 0.00 2.02 -1.24 -4.87 118.70 116.58 2qqt s GLU 499 Ca 0.21 1.17 -0.13 0.00 0.02 0.00 0.00 54.97 56.25 2qqt s GLU 499 Cb 0.19 -2.12 0.05 0.00 0.10 0.00 0.00 34.13 32.35 2qqt s GLU 499 CO 0.56 -0.35 1.12 -2.14 0.02 0.00 0.00 175.26 174.47 2qqt s PRO 500 N -3.55 2.26 0.39 0.39 0.02 -1.26 -4.56 135.00 128.68 2qqt s PRO 500 Ca 0.63 1.38 -0.23 0.00 0.02 0.00 0.00 61.00 62.79 2qqt s PRO 500 Cb -0.13 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.41 2qqt s PRO 500 CO 0.23 -1.67 0.98 -1.64 -0.33 0.00 0.00 177.00 174.57 2qqt s MET 501 N -4.46 4.30 0.87 5.54 -1.94 -1.26 -3.95 119.30 118.41 2qqt s MET 501 Ca 0.66 1.30 -0.12 0.00 -1.71 0.00 0.00 55.69 55.82 2qqt s MET 501 Cb -0.21 -2.47 0.11 0.00 2.01 0.00 0.00 34.83 34.28 2qqt s MET 501 CO 0.50 0.02 1.11 0.14 -0.01 0.00 0.00 175.02 176.78 2qqt s VAL 502 N -1.85 2.53 0.13 -6.03 -7.23 -0.84 -4.92 120.40 102.20 2qqt s VAL 502 Ca 0.57 0.17 -0.34 0.00 -1.81 0.00 0.00 61.98 60.58 2qqt s VAL 502 Cb -0.16 -2.85 -0.14 0.00 0.56 0.00 0.00 36.38 33.79 2qqt s VAL 502 CO 0.21 -0.22 1.61 1.21 -0.31 0.00 0.00 175.10 177.59 2qqt n GLU 503 N -3.70 2.15 -1.30 4.82 2.13 -1.26 -1.64 120.64 121.84 2qqt n GLU 503 Ca 0.07 0.78 -0.11 0.00 0.66 0.00 0.00 57.16 58.55 2qqt n GLU 503 Cb 0.57 -2.55 -0.05 0.00 0.27 0.00 0.00 31.44 29.68 2qqt n GLU 503 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2qqt n ARG 504 N 3.75 -1.66 -2.75 5.31 5.12 -1.26 -1.79 116.66 123.38 2qqt n ARG 504 Ca 0.18 0.86 -0.12 0.00 -1.93 0.00 0.00 57.85 56.84 2qqt n ARG 504 Cb 0.29 -5.22 -0.01 0.00 -1.16 0.00 0.00 32.46 26.35 2qqt n ARG 504 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qqt n GLY 505 N 0.17 3.41 0.00 -0.13 0.00 -0.65 -3.96 105.19 104.03 2qqt n GLY 505 Ca -0.11 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.66 2qqt n GLY 505 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qqt n ARG 506 N -0.78 1.17 -4.14 1.61 5.12 -0.29 -4.71 116.66 114.64 2qqt n ARG 506 Ca -0.05 -0.89 -0.09 0.00 -1.93 0.00 0.00 57.85 54.89 2qqt n ARG 506 Cb 0.26 -0.70 -0.10 0.00 -1.16 0.00 0.00 32.46 30.76 2qqt n ARG 506 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2qqt s VAL 507 N -0.39 0.46 0.34 1.55 -7.23 -1.23 -4.95 120.40 108.94 2qqt s VAL 507 Ca 0.00 -1.89 -0.02 0.00 -1.81 0.00 0.00 61.98 58.26 2qqt s VAL 507 Cb 0.00 -1.68 0.07 0.00 0.56 0.00 0.00 36.38 35.33 2qqt s VAL 507 CO 0.00 -0.86 0.46 0.61 -0.31 0.00 0.00 175.10 174.99 2qqt n GLY 508 N -0.00 0.10 0.14 2.32 0.00 -1.25 -1.98 105.19 104.52 2qqt n GLY 508 Ca -0.12 -1.89 -0.07 0.00 0.00 0.00 0.00 46.02 43.93 2qqt n GLY 508 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qqt h PRO 509 N 0.00 -0.03 0.18 1.61 0.11 -1.93 0.13 132.00 132.07 2qqt h PRO 509 Ca -0.15 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.95 2qqt h PRO 509 Cb 0.50 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.62 2qqt h PRO 509 CO 0.14 -0.02 -0.09 1.25 -0.21 0.00 0.00 178.00 179.08 2qqt h LEU 510 N -0.03 -0.21 -0.41 2.35 5.85 -1.95 -1.63 115.31 119.28 2qqt h LEU 510 Ca 0.13 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2qqt h LEU 510 Cb 0.22 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2qqt h LEU 510 CO -0.28 -0.06 0.23 -0.07 -0.34 0.00 0.00 178.44 177.92 2qqt h LEU 511 N -0.35 0.50 -1.04 2.25 4.07 -1.80 -0.54 115.31 118.41 2qqt h LEU 511 Ca -0.03 -0.08 0.16 0.00 0.08 0.00 0.00 57.88 58.02 2qqt h LEU 511 Cb 0.27 -0.13 -0.10 0.00 1.08 0.00 0.00 40.66 41.78 2qqt h LEU 511 CO 0.04 0.44 0.62 0.00 -1.08 0.00 0.00 178.44 178.46 2qqt h ALA 512 N 1.09 1.64 0.25 1.53 0.00 -0.64 0.81 119.26 123.94 2qqt h ALA 512 Ca 0.14 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2qqt h ALA 512 Cb 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2qqt h ALA 512 CO -0.02 0.05 -0.12 0.00 0.00 0.00 0.00 179.25 179.15 2qqt h LEU 514 N -0.70 0.33 0.16 0.00 3.38 -0.00 -1.64 115.31 116.84 2qqt h LEU 514 Ca -0.03 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2qqt h LEU 514 Cb 0.48 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2qqt h LEU 514 CO 0.06 0.24 -0.08 -0.07 0.09 0.00 0.00 178.44 178.67 2qqt h LEU 515 N 0.42 -0.18 -0.62 1.67 3.38 0.56 -3.15 115.31 117.39 2qqt h LEU 515 Ca 0.15 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 58.05 2qqt h LEU 515 Cb 0.02 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 2qqt h LEU 515 CO -0.08 0.10 0.10 1.23 0.09 0.00 0.00 178.44 179.87 2qqt h GLY 516 N -0.47 0.77 1.13 0.83 0.00 -0.45 -2.12 103.07 102.75 2qqt h GLY 516 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 2qqt h GLY 516 CO 0.04 -0.15 0.15 3.21 0.00 0.00 0.00 176.54 179.79 2qqt h ARG 517 N 0.22 1.07 -0.41 4.80 3.08 -1.37 -2.19 114.38 119.59 2qqt h ARG 517 Ca 0.33 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 2qqt h ARG 517 Cb 0.51 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 2qqt h ARG 517 CO -0.45 0.96 0.16 0.37 -1.07 0.00 0.00 179.97 179.93 2qqt h GLN 518 N 1.02 0.62 -0.19 0.04 5.75 -1.36 -2.17 115.11 118.82 2qqt h GLN 518 Ca 0.21 -0.12 -0.15 0.00 -0.15 0.00 0.00 58.65 58.44 2qqt h GLN 518 Cb 0.38 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 2qqt h GLN 518 CO 0.00 0.58 -0.52 0.74 -2.65 0.00 0.00 178.83 176.99 2qqt h PHE 519 N 0.52 0.66 -0.72 3.99 0.04 -1.38 -1.83 116.94 118.21 2qqt h PHE 519 Ca 0.14 -0.22 0.05 0.00 2.80 0.00 0.00 57.97 60.73 2qqt h PHE 519 Cb 0.20 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.17 2qqt h PHE 519 CO 0.00 0.94 0.43 0.37 -0.60 0.00 0.00 178.31 179.45 2qqt h GLN 520 N 0.42 0.78 -0.12 1.51 -0.00 -1.26 -1.88 115.11 114.56 2qqt h GLN 520 Ca 0.01 -0.05 -0.06 0.00 -0.00 0.00 0.00 58.65 58.56 2qqt h GLN 520 Cb 1.05 -0.18 -0.00 0.00 0.00 0.00 0.00 27.48 28.35 2qqt h GLN 520 CO 0.10 0.52 -0.14 1.96 0.00 0.00 0.00 178.83 181.26 2qqt h GLN 521 N 0.80 0.31 0.00 1.69 4.20 -1.19 -0.83 115.11 120.09 2qqt h GLN 521 Ca 0.31 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2qqt h GLN 521 Cb 0.13 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2qqt h GLN 521 CO -0.16 0.73 0.00 -0.84 -0.67 0.00 0.00 178.83 177.89 2qqt h ILE 522 N -0.09 0.00 0.00 2.54 3.07 -1.19 -0.61 117.51 121.24 2qqt h ILE 522 Ca 0.02 -0.25 -0.03 0.00 1.55 0.00 0.00 64.86 66.14 2qqt h ILE 522 Cb 0.68 1.13 -0.00 0.00 -0.27 0.00 0.00 36.82 38.35 2qqt h ILE 522 CO 0.03 0.00 -0.34 -0.09 -1.05 0.00 0.00 178.15 176.70 2qqt h ARG 523 N 0.00 0.00 0.00 0.16 2.43 -1.20 -3.32 114.38 112.45 2qqt h ARG 523 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2qqt h ARG 523 Cb 0.28 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2qqt h ARG 523 CO 0.00 0.29 -0.10 -0.44 -1.51 0.00 0.00 179.97 178.22 2qqt h ASP 524 N -1.00 0.00 -0.52 -3.80 3.32 -1.01 -2.90 116.42 110.51 2qqt h ASP 524 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2qqt h ASP 524 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2qqt h ASP 524 CO -0.03 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.20 2qqt n GLY 525 N -0.75 3.09 3.31 2.75 0.00 -0.25 -0.68 105.19 112.65 2qqt n GLY 525 Ca -0.02 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 2qqt n GLY 525 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qqt s ASP 526 N -1.11 5.89 0.60 1.61 2.15 -1.10 -4.70 116.67 120.01 2qqt s ASP 526 Ca 0.47 -1.54 0.31 0.00 0.43 0.00 0.00 52.55 52.22 2qqt s ASP 526 Cb 0.33 -2.08 1.79 0.00 -0.30 0.00 0.00 42.92 42.66 2qqt s ASP 526 CO 0.18 -0.64 2.16 -0.09 -0.17 0.00 0.00 175.17 176.61 2qqt h ARG 527 N 8.59 0.00 -0.67 4.34 2.43 -1.89 -0.08 114.38 127.10 2qqt h ARG 527 Ca -0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 2qqt h ARG 527 Cb 1.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2qqt h ARG 527 CO 0.85 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 180.50 2qqt n PHE 528 N -3.66 1.29 -1.63 2.20 3.01 -1.26 -4.91 117.46 112.49 2qqt n PHE 528 Ca -0.00 -0.54 -0.47 0.00 1.01 0.00 0.00 57.45 57.45 2qqt n PHE 528 Cb 0.24 -0.17 -0.04 0.00 -0.01 0.00 0.00 39.48 39.51 2qqt n PHE 528 CO 0.00 0.00 0.00 1.87 1.01 0.00 0.00 176.76 179.64 2qqt n TRP 529 N 1.23 1.83 0.24 1.38 -0.00 -0.05 -4.81 117.44 117.26 2qqt n TRP 529 Ca 0.24 0.51 0.18 0.00 -0.00 0.00 0.00 57.50 58.43 2qqt n TRP 529 Cb 0.78 -2.40 0.82 0.00 -0.00 0.00 0.00 31.31 30.51 2qqt n TRP 529 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 177.69 177.80 2qqt h TRP 530 N 4.16 0.00 -0.33 5.87 5.08 -1.93 0.11 115.95 128.91 2qqt h TRP 530 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.52 2qqt h TRP 530 Cb 1.30 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.46 2qqt h TRP 530 CO 0.57 0.00 0.00 0.39 -1.28 0.00 0.00 178.44 178.12 2qqt n GLU 531 N -3.31 2.24 -2.67 0.12 1.02 -1.26 -4.63 120.64 112.14 2qqt n GLU 531 Ca 0.02 -1.87 -0.43 0.00 -0.02 0.00 0.00 57.16 54.85 2qqt n GLU 531 Cb 0.43 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.36 2qqt n GLU 531 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2qqt s ASN 532 N -1.46 6.70 -0.29 1.62 2.47 0.40 -4.94 114.94 119.43 2qqt s ASN 532 Ca 0.36 0.58 -0.44 0.00 0.42 0.00 0.00 52.86 53.79 2qqt s ASN 532 Cb 0.21 -2.52 -0.20 0.00 -1.45 0.00 0.00 41.25 37.29 2qqt s ASN 532 CO 0.29 -1.07 1.37 -0.81 -3.72 0.00 0.00 177.10 173.16 2qqt n PRO 533 N 7.33 0.00 0.00 0.43 -0.04 -1.26 -1.36 135.00 140.10 2qqt n PRO 533 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2qqt n PRO 533 Cb 0.48 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2qqt n PRO 533 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qqt n GLY 534 N 2.93 3.00 0.09 0.55 0.00 -1.26 -4.90 105.19 105.59 2qqt n GLY 534 Ca 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 2qqt n GLY 534 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qqt h VAL 535 N 0.00 1.61 -3.65 1.61 2.07 -1.56 -3.45 116.25 112.88 2qqt h VAL 535 Ca 0.00 -2.13 -0.45 0.00 0.82 0.00 0.00 66.70 64.95 2qqt h VAL 535 Cb 0.00 3.00 -0.19 0.00 -1.52 0.00 0.00 31.29 32.58 2qqt h VAL 535 CO 0.00 0.58 -0.77 -0.36 0.02 0.00 0.00 177.57 177.03 2qqt s PHE 536 N -2.79 1.47 0.52 1.57 0.40 -1.26 -5.12 117.98 112.77 2qqt s PHE 536 Ca -0.16 -0.51 -0.11 0.00 -0.60 0.00 0.00 56.93 55.54 2qqt s PHE 536 Cb -0.00 -0.78 -0.05 0.00 0.51 0.00 0.00 43.02 42.70 2qqt s PHE 536 CO 0.74 0.16 0.92 0.95 0.70 0.00 0.00 175.22 178.69 2qqt s THR 537 N -1.87 4.72 0.27 0.64 -4.23 -1.26 -4.85 115.64 109.06 2qqt s THR 537 Ca 0.08 0.78 -0.02 0.00 -1.18 0.00 0.00 61.69 61.34 2qqt s THR 537 Cb -0.06 -3.81 0.31 0.00 1.34 0.00 0.00 72.50 70.28 2qqt s THR 537 CO 0.03 -0.85 1.63 -0.33 -0.54 0.00 0.00 174.62 174.56 2qqt h GLU 538 N 0.40 0.13 0.00 3.99 5.08 -2.01 0.13 114.58 122.31 2qqt h GLU 538 Ca -0.46 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 2qqt h GLU 538 Cb 1.19 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2qqt h GLU 538 CO 0.62 0.09 -0.13 0.87 -1.00 0.00 0.00 179.01 179.46 2qqt h LYS 539 N 0.14 0.00 0.03 2.33 1.57 -1.97 -2.56 116.57 116.11 2qqt h LYS 539 Ca 0.50 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 59.06 2qqt h LYS 539 Cb 0.96 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 2qqt h LYS 539 CO -0.70 0.13 -1.01 1.96 -0.57 0.00 0.00 179.45 179.26 2qqt h GLN 540 N 0.00 0.08 -0.02 3.15 4.20 -1.07 -3.16 115.11 118.29 2qqt h GLN 540 Ca -0.00 -0.13 -0.17 0.00 0.06 0.00 0.00 58.65 58.41 2qqt h GLN 540 Cb 0.52 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 2qqt h GLN 540 CO 0.02 1.02 -0.75 0.00 -0.67 0.00 0.00 178.83 178.45 2qqt h ARG 541 N 0.03 0.18 -0.14 1.46 3.08 -1.11 -1.15 114.38 116.73 2qqt h ARG 541 Ca -0.04 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 59.77 2qqt h ARG 541 Cb 1.74 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.82 2qqt h ARG 541 CO 0.14 0.85 -0.27 -0.44 -1.07 0.00 0.00 179.97 179.18 2qqt h ASP 542 N 0.12 0.26 -0.04 7.04 3.45 -1.52 -2.91 116.42 122.81 2qqt h ASP 542 Ca -0.02 -0.08 -0.07 0.00 0.43 0.00 0.00 57.03 57.29 2qqt h ASP 542 Cb 1.32 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 2qqt h ASP 542 CO 0.11 0.53 -0.24 -1.28 -1.57 0.00 0.00 179.24 176.79 2qqt h SER 543 N 0.24 0.29 0.12 6.45 0.87 -1.45 -3.29 113.55 116.78 2qqt h SER 543 Ca 0.04 -0.67 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 2qqt h SER 543 Cb 0.60 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2qqt h SER 543 CO 0.04 0.91 0.00 -0.07 -0.53 0.00 0.00 176.83 177.18 2qqt h LEU 544 N -0.31 0.00 -0.15 2.23 3.38 -1.12 -2.69 115.31 116.65 2qqt h LEU 544 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2qqt h LEU 544 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2qqt h LEU 544 CO 0.05 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.58 2qqt n GLN 545 N -2.86 0.13 0.00 1.13 6.02 -1.11 -2.89 117.38 117.79 2qqt n GLN 545 Ca -0.02 0.20 0.13 0.00 -0.01 0.00 0.00 57.00 57.31 2qqt n GLN 545 Cb 0.09 -1.68 0.43 0.00 1.02 0.00 0.00 30.24 30.11 2qqt n GLN 545 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2qqt n LYS 546 N -1.90 1.48 -1.73 -1.09 5.02 -1.02 -4.91 118.16 114.01 2qqt n LYS 546 Ca 0.05 -0.92 -0.42 0.00 -2.02 0.00 0.00 58.31 55.00 2qqt n LYS 546 Cb 0.31 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.84 2qqt n LYS 546 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2qqt n VAL 547 N 0.04 1.72 -3.88 -0.18 0.24 -1.14 -4.76 118.33 110.38 2qqt n VAL 547 Ca 0.16 -0.43 -0.11 0.00 -2.04 0.00 0.00 64.34 61.92 2qqt n VAL 547 Cb 0.38 -1.79 -0.10 0.00 -1.47 0.00 0.00 33.84 30.85 2qqt n VAL 547 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2qqt s SER 548 N -0.03 0.02 0.32 -1.34 1.04 -1.26 -4.98 113.70 107.47 2qqt s SER 548 Ca 0.57 -0.17 0.12 0.00 0.48 0.00 0.00 55.95 56.96 2qqt s SER 548 Cb -0.53 0.21 0.53 0.00 0.10 0.00 0.00 66.02 66.33 2qqt s SER 548 CO 0.59 -0.32 1.70 0.15 0.98 0.00 0.00 173.24 176.34 2qqt h PHE 549 N 4.53 0.00 -0.18 5.02 3.57 -1.94 -1.64 116.94 126.30 2qqt h PHE 549 Ca -0.30 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.23 2qqt h PHE 549 Cb 1.20 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 2qqt h PHE 549 CO 0.57 0.50 -0.02 0.77 -2.23 0.00 0.00 178.31 177.91 2qqt h SER 550 N 0.00 -0.11 -0.43 0.41 0.02 -1.87 -1.37 113.55 110.20 2qqt h SER 550 Ca -0.01 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2qqt h SER 550 Cb 0.92 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 2qqt h SER 550 CO 0.07 -0.03 0.19 -0.09 -1.14 0.00 0.00 176.83 175.82 2qqt h ARG 551 N 0.03 0.63 -0.99 3.45 9.65 -1.79 -1.07 114.38 124.28 2qqt h ARG 551 Ca 0.08 -0.10 0.22 0.00 -1.10 0.00 0.00 59.98 59.08 2qqt h ARG 551 Cb 0.11 -0.11 -0.10 0.00 -1.39 0.00 0.00 29.97 28.49 2qqt h ARG 551 CO -0.16 0.56 0.62 1.25 2.80 0.00 0.00 179.97 185.05 2qqt h LEU 552 N 0.55 0.61 0.56 3.80 5.85 -0.87 -0.91 115.31 124.90 2qqt h LEU 552 Ca 0.15 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 2qqt h LEU 552 Cb 0.15 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.17 2qqt h LEU 552 CO -0.02 0.19 -0.27 0.40 -0.34 0.00 0.00 178.44 178.40 2qqt h ILE 553 N 0.58 0.27 -0.97 4.05 1.08 -0.29 -3.06 117.51 119.17 2qqt h ILE 553 Ca 0.57 -0.39 0.22 0.00 -0.39 0.00 0.00 64.86 64.87 2qqt h ILE 553 Cb 1.15 0.38 -0.12 0.00 -3.07 0.00 0.00 36.82 35.16 2qqt h ILE 553 CO -0.33 0.04 0.56 0.00 -0.69 0.00 0.00 178.15 177.73 2qqt n ASP 555 N -4.87 0.46 -0.20 0.00 8.00 -0.51 -4.14 116.55 115.30 2qqt n ASP 555 Ca 0.24 0.49 0.05 0.00 0.71 0.00 0.00 54.79 56.28 2qqt n ASP 555 Cb 0.65 -0.58 0.08 0.00 -0.02 0.00 0.00 41.12 41.25 2qqt n ASP 555 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2qqt n ASN 556 N -1.91 1.46 -1.44 -2.24 3.02 -0.60 -5.05 115.26 108.51 2qqt n ASN 556 Ca 0.06 -2.55 -0.03 0.00 -0.03 0.00 0.00 54.58 52.03 2qqt n ASN 556 Cb 0.39 -0.30 -0.01 0.00 -0.61 0.00 0.00 39.78 39.25 2qqt n ASN 556 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2qqt n THR 557 N -0.83 0.00 -1.66 3.41 -2.24 -1.01 -4.99 114.28 106.96 2qqt n THR 557 Ca 0.09 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.35 2qqt n THR 557 Cb 0.62 0.24 0.13 0.00 -2.10 0.00 0.00 70.33 69.22 2qqt n THR 557 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2qqt n HIS 558 N -0.13 1.70 -3.51 4.78 8.25 -1.26 -4.89 115.22 120.15 2qqt n HIS 558 Ca 0.00 -1.96 -0.37 0.00 -0.26 0.00 0.00 57.72 55.14 2qqt n HIS 558 Cb 0.13 -0.51 -0.07 0.00 1.12 0.00 0.00 29.99 30.66 2qqt n HIS 558 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qqt s ILE 559 N -3.88 5.29 -0.37 1.59 1.01 -1.26 -4.95 121.20 118.63 2qqt s ILE 559 Ca 0.48 0.60 0.08 0.00 0.00 0.00 0.00 60.65 61.81 2qqt s ILE 559 Cb 0.41 -3.65 -0.08 0.00 0.01 0.00 0.00 42.46 39.15 2qqt s ILE 559 CO -0.00 0.39 0.33 0.35 0.00 0.00 0.00 174.94 176.01 2qqt n THR 560 N 3.49 0.00 -4.16 2.92 -2.24 -1.26 -4.59 114.28 108.44 2qqt n THR 560 Ca -0.11 -0.32 -0.34 0.00 -2.27 0.00 0.00 64.05 61.01 2qqt n THR 560 Cb 0.52 1.00 -0.15 0.00 -2.10 0.00 0.00 70.33 69.60 2qqt n THR 560 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2qqt s LYS 561 N -1.72 3.22 0.03 -0.78 -0.14 -1.26 0.72 119.74 119.81 2qqt s LYS 561 Ca 0.03 -0.72 -0.09 0.00 -1.36 0.00 0.00 55.97 53.83 2qqt s LYS 561 Cb 0.06 -2.76 0.00 0.00 -1.68 0.00 0.00 37.83 33.45 2qqt s LYS 561 CO 0.32 -0.13 0.19 0.14 -0.76 0.00 0.00 175.35 175.11 2qqt s VAL 562 N 1.20 0.10 0.76 3.17 -7.23 -0.56 -4.85 120.40 113.00 2qqt s VAL 562 Ca 0.02 -0.84 -0.11 0.00 -1.81 0.00 0.00 61.98 59.25 2qqt s VAL 562 Cb -0.14 -0.81 0.05 0.00 0.56 0.00 0.00 36.38 36.03 2qqt s VAL 562 CO -0.05 -0.46 1.08 -2.16 -0.31 0.00 0.00 175.10 173.20 2qqt s PRO 563 N -2.28 2.40 -0.01 4.82 0.04 -1.26 -1.62 135.00 137.08 2qqt s PRO 563 Ca -0.07 1.00 0.02 0.00 0.04 0.00 0.00 61.00 61.99 2qqt s PRO 563 Cb -0.02 -1.93 -0.25 0.00 0.04 0.00 0.00 34.50 32.34 2qqt s PRO 563 CO -0.02 -1.49 0.78 1.25 0.04 0.00 0.00 177.00 177.55 2qqt h LEU 564 N -1.01 0.23 -7.26 -3.56 5.85 -1.97 -3.40 115.31 104.20 2qqt h LEU 564 Ca -0.45 -0.37 -0.64 0.00 0.84 0.00 0.00 57.88 57.27 2qqt h LEU 564 Cb 1.23 -0.07 -0.41 0.00 0.37 0.00 0.00 40.66 41.78 2qqt h LEU 564 CO 0.55 1.32 -0.58 -1.00 -0.34 0.00 0.00 178.44 178.39 2qqt s HIS 565 N -2.61 3.38 -1.14 1.25 3.76 -1.26 -4.81 115.29 113.85 2qqt s HIS 565 Ca -0.08 -3.23 0.02 0.00 -0.15 0.00 0.00 55.06 51.62 2qqt s HIS 565 Cb 0.07 -2.80 0.07 0.00 1.11 0.00 0.00 32.58 31.04 2qqt s HIS 565 CO 0.83 -0.66 0.99 0.00 -0.85 0.00 0.00 174.74 175.04 2qqt n ALA 566 N 2.61 1.15 -0.02 -1.40 0.00 -1.26 -2.67 120.51 118.91 2qqt n ALA 566 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.53 2qqt n ALA 566 Cb 0.34 -1.03 -0.13 0.00 0.00 0.00 0.00 19.45 18.63 2qqt n ALA 566 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2qqt n PHE 567 N -1.43 0.56 -1.82 0.00 3.72 -1.26 -4.71 117.46 112.52 2qqt n PHE 567 Ca 0.01 0.19 -0.30 0.00 -0.05 0.00 0.00 57.45 57.30 2qqt n PHE 567 Cb 0.02 -0.99 0.08 0.00 -0.94 0.00 0.00 39.48 37.64 2qqt n PHE 567 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 2qqt s GLN 568 N -2.84 2.26 -0.04 -1.08 -2.07 -1.09 -1.72 119.66 113.07 2qqt s GLN 568 Ca -0.06 0.33 -0.30 0.00 -1.82 0.00 0.00 55.36 53.51 2qqt s GLN 568 Cb 0.09 -1.96 -0.03 0.00 -1.09 0.00 0.00 33.01 30.01 2qqt s GLN 568 CO 0.83 -1.43 1.07 0.00 -1.32 0.00 0.00 175.29 174.44 2qqt s ALA 569 N -3.41 3.35 0.00 2.60 0.00 -1.25 -3.92 121.76 119.13 2qqt s ALA 569 Ca 0.60 0.54 0.07 0.00 0.00 0.00 0.00 51.96 53.17 2qqt s ALA 569 Cb -0.12 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 2qqt s ALA 569 CO 0.51 -0.51 -0.21 -0.80 0.00 0.00 0.00 175.76 174.75 2qqt s ASN 570 N 1.16 2.48 -0.18 0.00 -0.87 -1.26 -4.92 114.94 111.34 2qqt s ASN 570 Ca 0.53 -0.42 -0.09 0.00 -1.57 0.00 0.00 52.86 51.30 2qqt s ASN 570 Cb -0.22 -0.26 -0.05 0.00 -0.02 0.00 0.00 41.25 40.70 2qqt s ASN 570 CO 0.23 0.23 0.13 0.20 -2.57 0.00 0.00 177.10 175.33 2qqt s ASN 571 N -0.68 6.25 0.08 -1.22 0.01 -1.26 -4.75 114.94 113.37 2qqt s ASN 571 Ca 0.08 0.28 -0.24 0.00 -0.71 0.00 0.00 52.86 52.27 2qqt s ASN 571 Cb -0.08 -2.09 -0.06 0.00 0.41 0.00 0.00 41.25 39.43 2qqt s ASN 571 CO -0.00 0.22 0.71 -0.47 -1.51 0.00 0.00 177.10 176.06 2qqt s TYR 572 N 0.09 3.80 -0.61 2.20 5.04 -1.26 -0.95 117.35 125.65 2qqt s TYR 572 Ca 0.09 1.46 0.21 0.00 -2.44 0.00 0.00 57.07 56.39 2qqt s TYR 572 Cb -0.11 -2.72 -0.27 0.00 0.35 0.00 0.00 41.96 39.20 2qqt s TYR 572 CO -0.01 0.41 0.73 -0.35 -1.34 0.00 0.00 175.55 174.99 2qqt n PRO 573 N 2.23 0.31 -0.26 4.97 -0.04 -1.26 -4.91 135.00 136.03 2qqt n PRO 573 Ca -0.05 -0.08 0.07 0.00 -0.04 0.00 0.00 63.50 63.40 2qqt n PRO 573 Cb 0.50 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.64 2qqt n PRO 573 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2qqt h HIS 574 N 0.00 0.05 -0.46 0.54 2.76 -1.97 -0.80 115.15 115.27 2qqt h HIS 574 Ca 0.00 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2qqt h HIS 574 Cb 0.69 0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.75 2qqt h HIS 574 CO 0.00 -0.22 0.00 -0.25 -1.30 0.00 0.00 177.93 176.16 2qqt n ASP 575 N -5.31 3.42 -4.56 3.26 8.00 -0.13 -4.91 116.55 116.33 2qqt n ASP 575 Ca 0.15 -2.29 -0.29 0.00 0.71 0.00 0.00 54.79 53.07 2qqt n ASP 575 Cb 0.51 -0.47 -0.10 0.00 -0.02 0.00 0.00 41.12 41.04 2qqt n ASP 575 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2qqt s PHE 576 N -1.73 2.67 0.07 1.24 0.40 -0.31 -4.21 117.98 116.12 2qqt s PHE 576 Ca 0.36 -0.20 -0.08 0.00 -0.60 0.00 0.00 56.93 56.41 2qqt s PHE 576 Cb 0.23 -1.37 -0.00 0.00 0.51 0.00 0.00 43.02 42.38 2qqt s PHE 576 CO 0.18 0.44 0.16 0.14 0.70 0.00 0.00 175.22 176.84 2qqt s VAL 577 N -1.35 0.14 0.27 -0.44 -7.23 -0.64 -4.87 120.40 106.28 2qqt s VAL 577 Ca 0.22 -1.15 -0.30 0.00 -1.81 0.00 0.00 61.98 58.94 2qqt s VAL 577 Cb -0.10 -1.19 -0.10 0.00 0.56 0.00 0.00 36.38 35.54 2qqt s VAL 577 CO 0.14 -0.64 1.47 -0.62 -0.31 0.00 0.00 175.10 175.14 2qqt s ASP 578 N -2.58 6.58 0.52 4.85 -1.08 -1.25 -1.49 116.67 122.22 2qqt s ASP 578 Ca 0.01 2.75 0.31 0.00 -0.52 0.00 0.00 52.55 55.11 2qqt s ASP 578 Cb 0.03 -2.63 1.45 0.00 -1.46 0.00 0.00 42.92 40.30 2qqt s ASP 578 CO -0.08 -0.75 1.86 0.00 0.52 0.00 0.00 175.17 176.72 2qqt h SER 580 N 0.05 0.00 -0.02 0.00 0.02 -1.90 -1.07 113.55 110.65 2qqt h SER 580 Ca 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 2qqt h SER 580 Cb 1.77 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.31 2qqt h SER 580 CO -0.04 0.00 -0.25 0.41 -1.14 0.00 0.00 176.83 175.81 2qqt n THR 581 N -2.22 0.00 -3.42 -2.27 -1.04 0.15 -4.97 114.28 100.51 2qqt n THR 581 Ca -0.01 -0.37 -0.38 0.00 -2.04 0.00 0.00 64.05 61.25 2qqt n THR 581 Cb 0.19 1.28 -0.08 0.00 -1.82 0.00 0.00 70.33 69.91 2qqt n THR 581 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2qqt s VAL 582 N -1.95 5.22 0.25 12.58 1.01 -0.41 -5.03 120.40 132.08 2qqt s VAL 582 Ca 0.18 0.64 -0.23 0.00 0.00 0.00 0.00 61.98 62.57 2qqt s VAL 582 Cb 0.15 -3.70 -0.15 0.00 0.00 0.00 0.00 36.38 32.68 2qqt s VAL 582 CO 0.39 0.27 0.33 0.47 0.00 0.00 0.00 175.10 176.55 2qqt n ASP 583 N 4.42 -1.72 -4.55 3.32 9.92 -1.26 -4.97 116.55 121.71 2qqt n ASP 583 Ca -0.09 0.93 -0.25 0.00 -0.53 0.00 0.00 54.79 54.84 2qqt n ASP 583 Cb 0.51 -0.85 -0.09 0.00 -0.64 0.00 0.00 41.12 40.05 2qqt n ASP 583 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2qqt s LYS 584 N -0.92 1.97 -0.07 -1.24 1.02 -1.26 -4.82 119.74 114.43 2qqt s LYS 584 Ca 0.57 -1.44 -0.30 0.00 0.02 0.00 0.00 55.97 54.82 2qqt s LYS 584 Cb -0.75 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 2qqt s LYS 584 CO 0.54 0.39 1.16 -1.17 -0.92 0.00 0.00 175.35 175.35 2qqt s LEU 585 N -3.17 4.27 -0.32 3.17 2.96 -1.26 -4.91 118.68 119.42 2qqt s LEU 585 Ca 0.27 1.75 -0.17 0.00 -0.22 0.00 0.00 54.13 55.76 2qqt s LEU 585 Cb -0.07 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.05 2qqt s LEU 585 CO 0.16 -0.57 0.47 -0.62 -1.32 0.00 0.00 176.35 174.47 2qqt s ASP 586 N 1.42 6.31 0.03 3.68 2.15 -1.26 -4.95 116.67 124.05 2qqt s ASP 586 Ca 0.54 0.11 0.23 0.00 0.43 0.00 0.00 52.55 53.86 2qqt s ASP 586 Cb -0.23 -2.25 0.12 0.00 -0.30 0.00 0.00 42.92 40.26 2qqt s ASP 586 CO 0.21 -0.37 1.10 0.18 -0.17 0.00 0.00 175.17 176.12 2qqt n LEU 587 N 5.59 0.65 -0.21 -1.34 4.77 -1.26 -4.29 117.00 120.91 2qqt n LEU 587 Ca -0.06 -0.09 0.31 0.00 -0.03 0.00 0.00 56.01 56.14 2qqt n LEU 587 Cb 0.49 -0.12 0.72 0.00 -2.33 0.00 0.00 43.42 42.18 2qqt n LEU 587 CO 0.42 0.09 1.28 0.77 -1.33 0.00 0.00 177.39 178.62 2qqt h SER 588 N 0.00 0.00 0.25 -1.43 4.64 -2.00 0.94 113.55 115.95 2qqt h SER 588 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qqt h SER 588 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2qqt h SER 588 CO 0.00 0.00 0.00 -2.65 -0.87 0.00 0.00 176.83 173.31 2qqt n PRO 589 N -4.02 0.00 0.00 4.77 -0.02 -1.26 -1.32 135.00 133.16 2qqt n PRO 589 Ca 0.20 0.38 0.12 0.00 -2.02 0.00 0.00 63.50 62.18 2qqt n PRO 589 Cb 1.10 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 33.31 2qqt n PRO 589 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2qqt n TRP 590 N -1.50 0.00 -2.08 6.00 8.01 0.33 -4.82 117.44 123.38 2qqt n TRP 590 Ca 0.02 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.78 2qqt n TRP 590 Cb 0.08 -0.02 -0.03 0.00 -2.01 0.00 0.00 31.31 29.34 2qqt n TRP 590 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2qqt s ALA 591 N -2.18 3.63 -0.40 6.99 0.00 -0.43 -4.99 121.76 124.37 2qqt s ALA 591 Ca 0.28 0.87 0.01 0.00 0.00 0.00 0.00 51.96 53.12 2qqt s ALA 591 Cb 0.20 -3.71 0.11 0.00 0.00 0.00 0.00 23.12 19.71 2qqt s ALA 591 CO 0.40 -1.32 0.16 -1.12 0.00 0.00 0.00 175.76 173.89 2qqt s SER 592 N 2.99 4.97 0.60 0.00 0.01 -1.26 -5.11 113.70 115.90 2qqt s SER 592 Ca 0.70 -2.23 0.00 0.00 1.31 0.00 0.00 55.95 55.73 2qqt s SER 592 Cb -0.32 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.18 2qqt s SER 592 CO 0.27 -0.43 0.00 0.54 0.41 0.00 0.00 173.24 174.03 2qqt n ARG 593 N 4.24 -0.73 -3.46 12.44 1.74 -1.26 -5.03 116.66 124.60 2qqt n ARG 593 Ca 0.02 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.99 2qqt n ARG 593 Cb 0.41 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.83 2qqt n ARG 593 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2qqt s GLU 594 N -1.81 1.18 0.00 5.56 1.03 -1.26 -5.24 118.70 118.16 2qqt s GLU 594 Ca 0.00 -0.44 0.00 0.00 0.03 0.00 0.00 54.97 54.56 2qqt s GLU 594 Cb 0.00 0.53 0.00 0.00 -0.80 0.00 0.00 34.13 33.86 2qqt s GLU 594 CO 0.00 -0.52 0.00 0.09 -1.33 0.00 0.00 175.26 173.50