#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nqx n TRP 2 N 0.00 0.30 0.00 1.43 4.27 -1.26 -5.16 117.44 117.02 2nqx n TRP 2 Ca 0.00 -0.81 0.00 0.00 -3.89 0.00 0.00 57.50 52.80 2nqx n TRP 2 Cb 0.00 -0.08 0.00 0.00 -1.36 0.00 0.00 31.31 29.87 2nqx n TRP 2 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 2nqx n GLU 3 N -0.38 2.03 0.00 -2.67 1.02 -1.26 -5.09 120.64 114.30 2nqx n GLU 3 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2nqx n GLU 3 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.62 2nqx n GLU 3 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2nqx n VAL 4 N -0.15 0.00 -0.79 2.62 0.31 -1.26 -5.02 118.33 114.04 2nqx n VAL 4 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 2nqx n VAL 4 Cb 0.00 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.00 2nqx n VAL 4 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2nqx n GLY 5 N 0.32 3.19 3.43 2.92 0.00 -1.26 -4.90 105.19 108.88 2nqx n GLY 5 Ca 0.00 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 2nqx n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nqx n GLY 7 N 5.37 5.48 0.00 0.00 0.00 -1.26 -4.75 105.19 110.03 2nqx n GLY 7 Ca 0.46 -2.76 0.00 0.00 0.00 0.00 0.00 46.02 43.72 2nqx n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nqx n ALA 8 N 0.07 0.00 0.00 4.61 0.00 -1.26 -4.76 120.51 119.17 2nqx n ALA 8 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2nqx n ALA 8 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2nqx n ALA 8 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2nqx n PRO 9 N 0.00 0.00 -3.65 0.00 -0.02 -1.26 -4.86 135.00 125.21 2nqx n PRO 9 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 2nqx n PRO 9 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.40 2nqx n PRO 9 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2nqx s VAL 10 N 0.00 -0.00 -1.32 -1.45 -7.23 -1.26 -4.86 120.40 104.28 2nqx s VAL 10 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2nqx s VAL 10 Cb 0.00 -0.92 0.00 0.00 0.56 0.00 0.00 36.38 36.02 2nqx s VAL 10 CO 0.00 0.00 0.46 -2.65 -0.31 0.00 0.00 175.10 172.60 2nqx n PRO 11 N 3.13 0.69 0.00 4.82 -0.02 -1.26 -4.96 135.00 137.40 2nqx n PRO 11 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2nqx n PRO 11 Cb 0.56 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 2nqx n PRO 11 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2nqx n LEU 12 N -0.05 0.00 -4.38 2.45 7.94 -1.26 -5.02 117.00 116.68 2nqx n LEU 12 Ca 0.00 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.71 2nqx n LEU 12 Cb 0.12 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.96 2nqx n LEU 12 CO 0.00 0.00 -0.26 0.68 -1.11 0.00 0.00 177.39 176.70 2nqx s VAL 13 N 0.00 0.86 -0.10 1.96 -7.23 -1.26 -5.16 120.40 109.48 2nqx s VAL 13 Ca 0.00 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 2nqx s VAL 13 Cb 0.00 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 2nqx s VAL 13 CO 0.00 -0.01 0.20 -0.75 -0.31 0.00 0.00 175.10 174.23 2nqx s LYS 14 N -3.96 3.60 0.07 4.82 2.20 -1.26 -5.07 119.74 120.14 2nqx s LYS 14 Ca 0.37 -0.01 -0.30 0.00 -0.36 0.00 0.00 55.97 55.66 2nqx s LYS 14 Cb 0.08 -3.22 -0.05 0.00 -1.51 0.00 0.00 37.83 33.14 2nqx s LYS 14 CO 0.14 0.72 1.04 0.00 -0.36 0.00 0.00 175.35 176.89 2nqx n ASP 16 N 3.32 0.49 0.00 0.00 9.92 -1.26 -4.91 116.55 124.11 2nqx n ASP 16 Ca 0.05 0.60 0.00 0.00 -0.53 0.00 0.00 54.79 54.91 2nqx n ASP 16 Cb 0.49 -0.71 0.00 0.00 -0.64 0.00 0.00 41.12 40.26 2nqx n ASP 16 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2nqx n GLU 17 N -2.01 0.00 0.00 -1.24 4.07 -1.26 -3.89 120.64 116.30 2nqx n GLU 17 Ca 0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.14 2nqx n GLU 17 Cb 0.27 -2.61 0.00 0.00 -0.06 0.00 0.00 31.44 29.04 2nqx n GLU 17 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2nqx n ASN 18 N 0.04 0.00 -4.76 4.31 4.13 -1.26 -5.08 115.26 112.65 2nqx n ASN 18 Ca 0.00 -1.00 -0.41 0.00 1.68 0.00 0.00 54.58 54.85 2nqx n ASN 18 Cb 0.00 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.23 2nqx n ASN 18 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2nqx s SER 19 N 0.00 6.37 0.00 6.41 0.15 -1.25 -4.88 113.70 120.49 2nqx s SER 19 Ca 0.00 2.98 0.28 0.00 0.70 0.00 0.00 55.95 59.91 2nqx s SER 19 Cb 0.00 -2.65 1.54 0.00 -1.71 0.00 0.00 66.02 63.21 2nqx s SER 19 CO 0.00 -0.89 2.00 -2.65 1.20 0.00 0.00 173.24 172.89 2nqx n PRO 20 N 1.52 0.63 -4.47 5.44 -0.02 -1.26 -4.87 135.00 131.98 2nqx n PRO 20 Ca 0.05 0.01 -0.30 0.00 -2.02 0.00 0.00 63.50 61.25 2nqx n PRO 20 Cb 0.38 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.24 2nqx n PRO 20 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2nqx s TYR 21 N -2.30 2.47 0.66 6.00 2.02 -1.26 -5.10 117.35 119.84 2nqx s TYR 21 Ca 0.34 -0.30 -0.15 0.00 -0.37 0.00 0.00 57.07 56.59 2nqx s TYR 21 Cb 0.19 -1.36 -0.00 0.00 -0.40 0.00 0.00 41.96 40.39 2nqx s TYR 21 CO 0.38 0.32 1.13 1.03 -1.57 0.00 0.00 175.55 176.83 2nqx s ARG 22 N -1.87 2.76 0.50 -0.62 0.52 -1.26 -5.04 118.95 113.94 2nqx s ARG 22 Ca 0.16 1.47 -0.11 0.00 -0.52 0.00 0.00 55.73 56.73 2nqx s ARG 22 Cb -0.10 -1.94 -0.05 0.00 0.52 0.00 0.00 34.95 33.37 2nqx s ARG 22 CO 0.07 -1.30 0.88 0.95 0.02 0.00 0.00 175.30 175.93 2nqx s THR 23 N -2.23 4.75 0.22 0.02 -4.23 -1.26 -4.99 115.64 107.92 2nqx s THR 23 Ca 0.69 0.71 -0.00 0.00 -1.18 0.00 0.00 61.69 61.90 2nqx s THR 23 Cb -0.22 -3.79 -0.02 0.00 1.34 0.00 0.00 72.50 69.80 2nqx s THR 23 CO 0.41 -0.79 1.57 0.40 -0.54 0.00 0.00 174.62 175.67 2nqx h ILE 24 N 0.51 1.32 0.00 2.99 5.03 -1.91 -3.12 117.51 122.34 2nqx h ILE 24 Ca -0.46 -1.71 -0.07 0.00 -0.12 0.00 0.00 64.86 62.51 2nqx h ILE 24 Cb 1.19 1.71 -0.01 0.00 -3.03 0.00 0.00 36.82 36.68 2nqx h ILE 24 CO 0.62 0.53 -0.31 0.71 -0.68 0.00 0.00 178.15 179.02 2nqx h THR 25 N 0.38 0.58 0.00 -0.27 1.35 -1.89 -3.39 112.91 109.67 2nqx h THR 25 Ca 0.02 -1.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 2nqx h THR 25 Cb 0.99 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 2nqx h THR 25 CO 0.09 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 2nqx n GLY 26 N 0.90 0.72 3.66 5.82 0.00 -1.18 -0.27 105.19 114.84 2nqx n GLY 26 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2nqx n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2nqx n ASP 27 N 0.00 1.00 0.00 1.61 8.00 -1.26 -3.71 116.55 122.19 2nqx n ASP 27 Ca 0.00 0.70 0.00 0.00 0.71 0.00 0.00 54.79 56.20 2nqx n ASP 27 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 39.64 2nqx n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nqx h ASN 29 N 0.00 -0.10 -3.32 0.00 -0.73 -1.70 -3.42 115.58 106.31 2nqx h ASN 29 Ca 0.00 -0.30 -0.57 0.00 1.87 0.00 0.00 56.30 57.30 2nqx h ASN 29 Cb 0.13 0.03 -0.06 0.00 0.27 0.00 0.00 38.32 38.68 2nqx h ASN 29 CO 0.00 0.26 -0.04 0.21 -0.37 0.00 0.00 177.43 177.49 2nqx s ASN 30 N -5.42 6.87 -0.03 1.15 3.84 -1.26 -4.71 114.94 115.38 2nqx s ASN 30 Ca -0.15 1.04 -0.12 0.00 0.21 0.00 0.00 52.86 53.84 2nqx s ASN 30 Cb 0.03 -2.35 -0.32 0.00 -0.55 0.00 0.00 41.25 38.06 2nqx s ASN 30 CO 0.63 0.01 0.76 0.03 -2.79 0.00 0.00 177.10 175.75 2nqx h ARG 31 N 6.30 0.42 -0.41 0.43 3.08 -1.93 -2.80 114.38 119.48 2nqx h ARG 31 Ca -0.43 -0.73 -0.13 0.00 0.07 0.00 0.00 59.98 58.77 2nqx h ARG 31 Cb 1.19 0.27 -0.01 0.00 0.08 0.00 0.00 29.97 31.50 2nqx h ARG 31 CO 0.73 1.34 -0.27 0.00 -1.07 0.00 0.00 179.97 180.70 2nqx h ARG 32 N 0.12 0.86 -2.96 0.04 3.08 -1.96 -3.39 114.38 110.18 2nqx h ARG 32 Ca -0.32 -0.38 -0.61 0.00 0.07 0.00 0.00 59.98 58.74 2nqx h ARG 32 Cb 2.12 -0.02 -0.40 0.00 0.08 0.00 0.00 29.97 31.74 2nqx h ARG 32 CO 0.20 1.03 -0.75 0.45 -1.07 0.00 0.00 179.97 179.83 2nqx s SER 33 N -6.77 3.59 0.21 7.04 0.15 -1.25 -5.04 113.70 111.63 2nqx s SER 33 Ca -0.10 -2.58 -0.12 0.00 0.70 0.00 0.00 55.95 53.85 2nqx s SER 33 Cb 0.12 -0.98 0.26 0.00 -1.71 0.00 0.00 66.02 63.72 2nqx s SER 33 CO 0.86 -0.27 1.65 -0.65 1.20 0.00 0.00 173.24 176.02 2nqx h PRO 34 N 6.77 0.06 0.00 5.44 0.11 -1.71 -2.55 132.00 140.13 2nqx h PRO 34 Ca -0.01 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2nqx h PRO 34 Cb 0.93 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2nqx h PRO 34 CO 0.46 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 178.29 2nqx n ALA 35 N -2.88 2.36 -1.99 -0.75 0.00 -1.26 -0.94 120.51 115.04 2nqx n ALA 35 Ca 0.08 -0.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.95 2nqx n ALA 35 Cb 0.34 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 2nqx n ALA 35 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2nqx s LEU 36 N -2.34 3.55 0.00 0.00 2.96 -0.96 -1.44 118.68 120.45 2nqx s LEU 36 Ca 0.30 1.38 0.00 0.00 -0.22 0.00 0.00 54.13 55.59 2nqx s LEU 36 Cb 0.17 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.34 2nqx s LEU 36 CO 0.35 -1.65 0.00 0.61 -1.32 0.00 0.00 176.35 174.34 2nqx n GLY 37 N 5.35 0.48 3.54 7.98 0.00 -1.26 -4.51 105.19 116.76 2nqx n GLY 37 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 2nqx n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nqx s ALA 38 N -2.17 0.29 0.11 4.61 0.00 -0.52 -1.61 121.76 122.47 2nqx s ALA 38 Ca 0.00 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.19 2nqx s ALA 38 Cb 0.00 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 2nqx s ALA 38 CO 0.00 -3.73 0.14 0.00 0.00 0.00 0.00 175.76 172.17 2nqx s ALA 39 N -2.82 3.70 -0.72 0.00 0.00 0.63 -4.45 121.76 118.11 2nqx s ALA 39 Ca 0.70 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.62 2nqx s ALA 39 Cb -0.12 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.46 2nqx s ALA 39 CO 0.57 0.68 0.04 0.09 0.00 0.00 0.00 175.76 177.14 2nqx n ASN 40 N 0.10 -3.08 -4.61 0.00 3.02 0.77 -4.93 115.26 106.52 2nqx n ASN 40 Ca -0.08 -0.02 -0.25 0.00 -0.03 0.00 0.00 54.58 54.19 2nqx n ASN 40 Cb 0.53 -2.32 -0.09 0.00 -0.61 0.00 0.00 39.78 37.29 2nqx n ASN 40 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2nqx s ARG 41 N -4.51 1.99 0.46 3.52 1.81 -1.22 -4.77 118.95 116.22 2nqx s ARG 41 Ca 0.02 -1.86 -0.24 0.00 -1.72 0.00 0.00 55.73 51.93 2nqx s ARG 41 Cb -0.01 -1.83 -0.07 0.00 -0.45 0.00 0.00 34.95 32.59 2nqx s ARG 41 CO 0.02 0.09 1.23 0.00 -0.68 0.00 0.00 175.30 175.97 2nqx s ALA 42 N -2.58 3.03 0.45 2.13 0.00 -1.26 -1.21 121.76 122.32 2nqx s ALA 42 Ca 0.35 1.08 -0.24 0.00 0.00 0.00 0.00 51.96 53.14 2nqx s ALA 42 Cb 0.02 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 2nqx s ALA 42 CO 0.19 -0.81 1.27 -0.51 0.00 0.00 0.00 175.76 175.89 2nqx s LEU 43 N -2.92 4.07 0.50 0.00 1.43 -0.38 -4.76 118.68 116.62 2nqx s LEU 43 Ca 0.63 2.57 -0.22 0.00 -1.03 0.00 0.00 54.13 56.08 2nqx s LEU 43 Cb -0.33 -4.09 -0.06 0.00 0.03 0.00 0.00 46.19 41.73 2nqx s LEU 43 CO 0.41 -1.03 1.19 0.00 0.23 0.00 0.00 176.35 177.14 2nqx s ALA 44 N -1.36 2.87 -0.39 4.21 0.00 -0.56 -4.64 121.76 121.89 2nqx s ALA 44 Ca 0.62 0.98 -0.08 0.00 0.00 0.00 0.00 51.96 53.48 2nqx s ALA 44 Cb -0.36 -3.41 0.07 0.00 0.00 0.00 0.00 23.12 19.42 2nqx s ALA 44 CO 0.44 -0.82 0.20 1.03 0.00 0.00 0.00 175.76 176.62 2nqx s ARG 45 N -2.88 2.56 0.30 0.00 1.81 -1.26 -0.81 118.95 118.68 2nqx s ARG 45 Ca 0.67 -1.39 0.14 0.00 -1.72 0.00 0.00 55.73 53.43 2nqx s ARG 45 Cb -0.30 -3.66 0.44 0.00 -0.45 0.00 0.00 34.95 30.98 2nqx s ARG 45 CO 0.35 -0.86 1.63 -1.49 -0.68 0.00 0.00 175.30 174.25 2nqx h TRP 46 N 8.32 0.00 -3.80 -0.53 6.55 -1.97 -3.44 115.95 121.08 2nqx h TRP 46 Ca -0.22 0.00 -0.26 0.00 0.95 0.00 0.00 58.89 59.36 2nqx h TRP 46 Cb 1.08 0.00 -0.17 0.00 -0.86 0.00 0.00 29.16 29.21 2nqx h TRP 46 CO 0.60 0.54 -0.71 -0.51 -1.05 0.00 0.00 178.44 177.31 2nqx s LEU 47 N -7.29 2.44 0.34 -4.49 1.43 -1.26 -5.14 118.68 104.71 2nqx s LEU 47 Ca -0.00 -0.88 -0.29 0.00 -1.03 0.00 0.00 54.13 51.93 2nqx s LEU 47 Cb 0.12 -0.16 -0.10 0.00 0.03 0.00 0.00 46.19 46.07 2nqx s LEU 47 CO 0.74 -0.36 1.36 -2.84 0.23 0.00 0.00 176.35 175.47 2nqx s PRO 48 N -3.16 4.29 0.31 1.29 0.02 -1.26 -4.95 135.00 131.54 2nqx s PRO 48 Ca 0.07 2.31 -0.30 0.00 0.02 0.00 0.00 61.00 63.10 2nqx s PRO 48 Cb 0.00 -3.05 -0.12 0.00 0.02 0.00 0.00 34.50 31.36 2nqx s PRO 48 CO -0.02 -0.29 1.57 0.00 -0.33 0.00 0.00 177.00 177.93 2nqx n ALA 49 N 0.84 2.47 -3.61 -1.55 0.00 -1.26 -4.72 120.51 112.68 2nqx n ALA 49 Ca 0.01 0.37 -0.39 0.00 0.00 0.00 0.00 53.44 53.43 2nqx n ALA 49 Cb 0.41 -2.45 -0.10 0.00 0.00 0.00 0.00 19.45 17.31 2nqx n ALA 49 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2nqx s GLU 50 N -0.85 2.29 0.31 0.00 2.02 0.52 -4.94 118.70 118.05 2nqx s GLU 50 Ca 0.62 -1.73 0.08 0.00 0.02 0.00 0.00 54.97 53.96 2nqx s GLU 50 Cb -0.50 -3.73 -0.04 0.00 0.10 0.00 0.00 34.13 29.97 2nqx s GLU 50 CO 0.52 -1.09 0.18 0.71 0.02 0.00 0.00 175.26 175.60 2nqx s TYR 51 N 1.27 2.86 0.10 1.61 2.02 -1.26 -4.39 117.35 119.56 2nqx s TYR 51 Ca 0.06 -0.27 -0.21 0.00 -0.37 0.00 0.00 57.07 56.28 2nqx s TYR 51 Cb -0.24 -1.57 -0.11 0.00 -0.40 0.00 0.00 41.96 39.64 2nqx s TYR 51 CO -0.02 0.37 1.75 1.49 -1.57 0.00 0.00 175.55 177.57 2nqx h GLU 52 N 1.49 0.13 -0.65 -0.62 4.81 -0.84 -2.57 114.58 116.32 2nqx h GLU 52 Ca -0.45 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 58.67 2nqx h GLU 52 Cb 1.25 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.54 2nqx h GLU 52 CO 0.61 0.09 0.13 -0.40 -0.73 0.00 0.00 179.01 178.70 2nqx n ASP 53 N -5.02 5.29 -1.61 1.04 5.75 -1.25 -4.92 116.55 115.83 2nqx n ASP 53 Ca -0.05 -3.08 -0.15 0.00 -0.01 0.00 0.00 54.79 51.50 2nqx n ASP 53 Cb 0.03 -0.71 -0.05 0.00 -1.03 0.00 0.00 41.12 39.35 2nqx n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2nqx n GLY 54 N 0.22 1.07 1.85 6.12 0.00 -0.97 -4.69 105.19 108.80 2nqx n GLY 54 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2nqx n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2nqx n LEU 55 N -2.15 0.00 0.00 0.99 4.77 -1.26 -4.75 117.00 114.60 2nqx n LEU 55 Ca -0.15 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2nqx n LEU 55 Cb 0.52 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 2nqx n LEU 55 CO 0.22 -0.62 -0.06 0.00 -1.33 0.00 0.00 177.39 175.60 2nqx n ALA 56 N -2.91 1.94 -1.96 -1.18 0.00 -1.26 -0.26 120.51 114.87 2nqx n ALA 56 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2nqx n ALA 56 Cb 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 2nqx n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2nqx s LEU 57 N -3.11 4.37 0.77 0.00 1.02 -1.26 -4.92 118.68 115.55 2nqx s LEU 57 Ca 0.00 2.58 -0.11 0.00 0.02 0.00 0.00 54.13 56.61 2nqx s LEU 57 Cb 0.00 -3.59 0.05 0.00 0.02 0.00 0.00 46.19 42.67 2nqx s LEU 57 CO 0.00 -0.79 1.09 -2.16 0.02 0.00 0.00 176.35 174.51 2nqx s PRO 58 N 1.05 2.31 -0.03 1.29 0.04 -1.26 -0.29 135.00 138.10 2nqx s PRO 58 Ca 0.69 0.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.13 2nqx s PRO 58 Cb -0.43 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 2nqx s PRO 58 CO 0.32 -1.48 1.07 -0.06 0.04 0.00 0.00 177.00 176.89 2nqx s PHE 59 N -3.14 3.48 0.00 0.56 0.40 -1.26 -2.94 117.98 115.08 2nqx s PHE 59 Ca 0.60 1.50 0.00 0.00 -0.60 0.00 0.00 56.93 58.43 2nqx s PHE 59 Cb -0.14 -3.26 0.00 0.00 0.51 0.00 0.00 43.02 40.13 2nqx s PHE 59 CO 0.54 -0.57 0.00 0.41 0.70 0.00 0.00 175.22 176.30 2nqx n GLY 60 N 3.11 0.61 0.15 4.36 0.00 -1.26 -4.92 105.19 107.24 2nqx n GLY 60 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 2nqx n GLY 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2nqx h TRP 61 N 0.00 -0.25 -3.40 1.61 2.91 -1.90 -3.42 115.95 111.50 2nqx h TRP 61 Ca 0.00 -0.01 -0.59 0.00 1.13 0.00 0.00 58.89 59.42 2nqx h TRP 61 Cb 0.00 0.08 -0.09 0.00 -0.51 0.00 0.00 29.16 28.64 2nqx h TRP 61 CO 0.00 -0.03 0.16 0.99 -1.03 0.00 0.00 178.44 178.53 2nqx s THR 62 N -2.71 5.00 -1.22 2.65 2.01 -1.26 -4.96 115.64 115.15 2nqx s THR 62 Ca -0.07 1.25 0.19 0.00 0.31 0.00 0.00 61.69 63.38 2nqx s THR 62 Cb 0.00 -3.97 0.25 0.00 0.01 0.00 0.00 72.50 68.79 2nqx s THR 62 CO 0.23 0.10 1.61 0.00 -0.69 0.00 0.00 174.62 175.87 2nqx n GLN 63 N 5.05 0.14 -0.02 4.92 3.00 -1.26 -3.00 117.38 126.21 2nqx n GLN 63 Ca -0.01 0.14 0.06 0.00 -0.01 0.00 0.00 57.00 57.18 2nqx n GLN 63 Cb 0.50 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 29.10 2nqx n GLN 63 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 2nqx n ARG 64 N -1.39 0.69 -2.84 -1.09 -4.01 -1.26 -4.91 116.66 101.85 2nqx n ARG 64 Ca 0.07 -0.14 -0.42 0.00 -1.04 0.00 0.00 57.85 56.33 2nqx n ARG 64 Cb 0.19 -1.44 -0.04 0.00 -3.04 0.00 0.00 32.46 28.14 2nqx n ARG 64 CO 0.00 0.00 0.00 0.15 -3.04 0.00 0.00 177.63 174.74 2nqx s LYS 65 N -3.10 4.29 0.45 2.89 1.02 -1.16 -5.06 119.74 119.08 2nqx s LYS 65 Ca -0.07 1.08 0.05 0.00 0.02 0.00 0.00 55.97 57.05 2nqx s LYS 65 Cb 0.10 -3.58 0.01 0.00 -0.52 0.00 0.00 37.83 33.84 2nqx s LYS 65 CO 0.75 -0.38 0.63 0.95 -0.92 0.00 0.00 175.35 176.38 2nqx s THR 66 N 2.31 3.16 -0.27 2.17 -4.23 -1.26 -4.73 115.64 112.79 2nqx s THR 66 Ca 0.40 -0.84 -0.04 0.00 -1.18 0.00 0.00 61.69 60.03 2nqx s THR 66 Cb -0.16 -3.11 0.02 0.00 1.34 0.00 0.00 72.50 70.58 2nqx s THR 66 CO 0.12 -0.06 -0.00 -0.60 -0.54 0.00 0.00 174.62 173.54 2nqx s ARG 67 N -4.48 2.90 -1.99 3.99 3.52 0.92 -4.60 118.95 119.21 2nqx s ARG 67 Ca 0.54 -0.96 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 2nqx s ARG 67 Cb -0.10 -3.15 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 2nqx s ARG 67 CO 0.35 -0.44 0.00 0.09 -0.81 0.00 0.00 175.30 174.49 2nqx n ASN 68 N 4.74 -5.59 0.00 -2.12 3.02 -1.26 -2.33 115.26 111.73 2nqx n ASN 68 Ca -0.15 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 2nqx n ASN 68 Cb 0.47 -4.81 0.00 0.00 -0.61 0.00 0.00 39.78 34.83 2nqx n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nqx n GLY 69 N -0.65 1.17 3.53 7.41 0.00 -1.26 -5.07 105.19 110.32 2nqx n GLY 69 Ca -0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 2nqx n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nqx s PHE 70 N -2.29 2.45 -0.04 1.61 0.40 -0.98 -4.96 117.98 114.17 2nqx s PHE 70 Ca 0.00 -0.29 -0.24 0.00 -0.60 0.00 0.00 56.93 55.81 2nqx s PHE 70 Cb 0.00 -1.08 -0.04 0.00 0.51 0.00 0.00 43.02 42.41 2nqx s PHE 70 CO 0.00 0.66 0.71 1.03 0.70 0.00 0.00 175.22 178.32 2nqx s ARG 71 N -3.49 4.44 -0.05 0.44 0.52 -1.26 -0.06 118.95 119.49 2nqx s ARG 71 Ca 0.30 0.91 -0.30 0.00 -0.52 0.00 0.00 55.73 56.12 2nqx s ARG 71 Cb -0.06 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 2nqx s ARG 71 CO 0.16 0.13 1.32 0.14 0.02 0.00 0.00 175.30 177.07 2nqx s VAL 72 N 0.56 4.00 0.48 3.52 -7.23 -1.26 -4.93 120.40 115.53 2nqx s VAL 72 Ca 0.37 1.32 -0.24 0.00 -1.81 0.00 0.00 61.98 61.63 2nqx s VAL 72 Cb -0.18 -3.85 -0.08 0.00 0.56 0.00 0.00 36.38 32.83 2nqx s VAL 72 CO 0.19 -0.03 1.34 -0.81 -0.31 0.00 0.00 175.10 175.48 2nqx n PRO 73 N 5.59 1.93 -1.70 4.82 -0.04 -1.26 -4.91 135.00 139.43 2nqx n PRO 73 Ca 0.13 0.69 -0.44 0.00 -0.04 0.00 0.00 63.50 63.84 2nqx n PRO 73 Cb 0.45 -2.51 -0.03 0.00 -0.04 0.00 0.00 33.50 31.36 2nqx n PRO 73 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2nqx n LEU 74 N -0.32 3.57 -0.32 1.53 4.77 -1.26 -4.86 117.00 120.12 2nqx n LEU 74 Ca 0.07 1.11 -0.11 0.00 -0.03 0.00 0.00 56.01 57.05 2nqx n LEU 74 Cb 0.42 -1.50 -0.09 0.00 -2.33 0.00 0.00 43.42 39.93 2nqx n LEU 74 CO 0.57 -0.14 0.50 0.00 -1.33 0.00 0.00 177.39 176.99 2nqx h ALA 75 N 5.45 -0.56 -0.44 -1.18 0.00 -1.90 -1.39 119.26 119.24 2nqx h ALA 75 Ca -0.45 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.58 2nqx h ALA 75 Cb 1.24 1.25 -0.02 0.00 0.00 0.00 0.00 17.79 20.26 2nqx h ALA 75 CO 0.85 -0.96 0.29 -0.09 0.00 0.00 0.00 179.25 179.34 2nqx h ARG 76 N -0.14 0.49 -0.28 0.00 9.65 -1.86 -1.35 114.38 120.88 2nqx h ARG 76 Ca 0.15 -0.03 -0.06 0.00 -1.10 0.00 0.00 59.98 58.94 2nqx h ARG 76 Cb 0.49 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 2nqx h ARG 76 CO -0.82 0.32 -0.04 1.49 2.80 0.00 0.00 179.97 183.72 2nqx h GLU 77 N 0.51 0.53 -0.59 0.20 4.81 -1.61 0.88 114.58 119.30 2nqx h GLU 77 Ca 0.18 -0.19 0.11 0.00 -0.13 0.00 0.00 59.36 59.33 2nqx h GLU 77 Cb 0.08 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 2nqx h GLU 77 CO -0.04 0.71 0.40 0.28 -0.73 0.00 0.00 179.01 179.63 2nqx h VAL 78 N 0.30 0.86 -0.02 0.32 2.07 -0.53 -1.61 116.25 117.64 2nqx h VAL 78 Ca 0.08 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2nqx h VAL 78 Cb 0.50 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2nqx h VAL 78 CO 0.02 0.06 -0.02 -1.28 0.02 0.00 0.00 177.57 176.37 2nqx h SER 79 N 0.33 0.05 0.43 0.57 0.87 -0.80 -2.68 113.55 112.32 2nqx h SER 79 Ca 0.28 -0.51 -0.04 0.00 -1.23 0.00 0.00 61.79 60.29 2nqx h SER 79 Cb 0.65 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2nqx h SER 79 CO -0.07 0.55 -0.17 0.78 -0.53 0.00 0.00 176.83 177.39 2nqx h ASN 80 N -0.45 0.00 0.00 6.23 2.35 -0.02 -1.77 115.58 121.92 2nqx h ASN 80 Ca 0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 2nqx h ASN 80 Cb 0.54 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 2nqx h ASN 80 CO 0.01 0.17 -2.08 0.29 -1.65 0.00 0.00 177.43 174.16 2nqx n LYS 81 N -3.70 0.73 -0.02 0.81 5.02 -0.68 -4.53 118.16 115.78 2nqx n LYS 81 Ca -0.02 -0.12 -0.04 0.00 -2.02 0.00 0.00 58.31 56.11 2nqx n LYS 81 Cb 0.29 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 2nqx n LYS 81 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2nqx n ILE 82 N -2.41 0.22 0.69 -0.18 2.08 -1.01 -4.82 119.36 113.94 2nqx n ILE 82 Ca -0.15 -0.06 0.13 0.00 0.56 0.00 0.00 62.75 63.24 2nqx n ILE 82 Cb 0.77 -1.49 0.41 0.00 -0.75 0.00 0.00 39.64 38.58 2nqx n ILE 82 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2nqx n VAL 83 N -3.14 0.45 -2.57 1.39 0.31 -0.70 -4.71 118.33 109.36 2nqx n VAL 83 Ca -0.08 -0.23 -0.25 0.00 -0.01 0.00 0.00 64.34 63.77 2nqx n VAL 83 Cb 0.56 -0.50 0.03 0.00 -0.91 0.00 0.00 33.84 33.02 2nqx n VAL 83 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2nqx s GLY 84 N -3.47 1.62 -0.14 2.92 0.00 -0.98 -2.69 107.32 104.58 2nqx s GLY 84 Ca 0.11 -0.87 -0.34 0.00 0.00 0.00 0.00 44.72 43.62 2nqx s GLY 84 CO 0.60 -0.61 1.14 -2.52 0.00 0.00 0.00 173.10 171.71 2nqx s TYR 85 N -2.87 -0.17 -0.05 1.90 -0.85 -1.26 -4.67 117.35 109.39 2nqx s TYR 85 Ca 0.53 0.09 0.06 0.00 -0.52 0.00 0.00 57.07 57.24 2nqx s TYR 85 Cb -0.10 0.52 -0.09 0.00 0.38 0.00 0.00 41.96 42.67 2nqx s TYR 85 CO 0.42 -0.28 0.07 1.28 -1.52 0.00 0.00 175.55 175.52 2nqx n LEU 86 N -0.15 0.00 -4.38 -3.49 4.77 -1.26 -4.63 117.00 107.87 2nqx n LEU 86 Ca -0.02 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.51 2nqx n LEU 86 Cb 0.59 0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.74 2nqx n LEU 86 CO 0.09 0.11 0.40 -0.62 -1.33 0.00 0.00 177.39 176.05 2nqx s ASP 87 N -3.49 6.18 0.35 -1.43 -1.08 -1.26 -4.89 116.67 111.06 2nqx s ASP 87 Ca -0.03 -1.41 0.18 0.00 -0.52 0.00 0.00 52.55 50.76 2nqx s ASP 87 Cb 0.03 -2.30 0.57 0.00 -1.46 0.00 0.00 42.92 39.76 2nqx s ASP 87 CO 0.29 -1.10 1.68 -0.33 0.52 0.00 0.00 175.17 176.22 2nqx h GLU 88 N 9.18 0.00 -6.72 4.34 4.39 -2.02 -3.45 114.58 120.29 2nqx h GLU 88 Ca -0.29 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 58.88 2nqx h GLU 88 Cb 1.09 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.80 2nqx h GLU 88 CO 1.10 0.42 0.91 -2.00 -1.16 0.00 0.00 179.01 178.27 2nqx s GLU 89 N -3.51 4.16 0.00 2.33 -6.30 -1.26 -2.16 118.70 111.95 2nqx s GLU 89 Ca 0.00 2.52 0.00 0.00 -2.50 0.00 0.00 54.97 54.99 2nqx s GLU 89 Cb 0.11 -3.07 0.00 0.00 0.00 0.00 0.00 34.13 31.17 2nqx s GLU 89 CO 0.70 -0.64 0.00 0.41 0.02 0.00 0.00 175.26 175.75 2nqx n GLY 90 N 2.96 1.07 0.25 -1.50 0.00 -1.26 -4.93 105.19 101.78 2nqx n GLY 90 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 2nqx n GLY 90 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2nqx n VAL 91 N -2.00 0.00 -2.58 1.61 3.14 -0.92 -4.94 118.33 112.64 2nqx n VAL 91 Ca 0.00 -0.13 -0.32 0.00 -2.96 0.00 0.00 64.34 60.92 2nqx n VAL 91 Cb 0.00 0.19 -0.05 0.00 -1.06 0.00 0.00 33.84 32.92 2nqx n VAL 91 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2nqx s LEU 92 N -2.29 3.76 -0.29 6.55 1.43 -1.26 -1.52 118.68 125.05 2nqx s LEU 92 Ca 0.32 1.60 -0.25 0.00 -1.03 0.00 0.00 54.13 54.78 2nqx s LEU 92 Cb 0.20 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.92 2nqx s LEU 92 CO 0.43 -0.49 0.84 -0.62 0.23 0.00 0.00 176.35 176.75 2nqx s ASP 93 N -2.72 6.74 0.30 2.29 -1.08 0.61 -4.43 116.67 118.38 2nqx s ASP 93 Ca 0.60 0.80 0.25 0.00 -0.52 0.00 0.00 52.55 53.68 2nqx s ASP 93 Cb -0.10 -2.44 1.05 0.00 -1.46 0.00 0.00 42.92 39.98 2nqx s ASP 93 CO 0.24 -0.64 1.75 1.56 0.52 0.00 0.00 175.17 178.60 2nqx h GLN 94 N 8.02 0.00 0.00 4.34 1.08 -1.96 -3.25 115.11 123.34 2nqx h GLN 94 Ca -0.23 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 56.91 2nqx h GLN 94 Cb 1.09 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.40 2nqx h GLN 94 CO 0.91 0.00 -0.59 -1.71 -0.95 0.00 0.00 178.83 176.49 2nqx n ASN 95 N -2.34 0.88 -3.71 1.46 5.15 -1.26 -4.58 115.26 110.87 2nqx n ASN 95 Ca 0.02 -2.40 -0.18 0.00 -0.60 0.00 0.00 54.58 51.42 2nqx n ASN 95 Cb 0.22 -0.31 -0.17 0.00 -0.53 0.00 0.00 39.78 38.99 2nqx n ASN 95 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2nqx s ARG 96 N -0.84 -0.06 0.89 1.20 1.81 -1.23 -3.25 118.95 117.48 2nqx s ARG 96 Ca 0.20 0.31 -0.12 0.00 -1.72 0.00 0.00 55.73 54.41 2nqx s ARG 96 Cb 0.21 -0.42 0.13 0.00 -0.45 0.00 0.00 34.95 34.41 2nqx s ARG 96 CO -0.06 -0.27 1.09 -1.54 -0.68 0.00 0.00 175.30 173.85 2nqx s SER 97 N 1.79 3.53 0.44 0.23 1.04 -0.38 -0.57 113.70 119.77 2nqx s SER 97 Ca 0.00 1.41 0.17 0.00 0.48 0.00 0.00 55.95 58.01 2nqx s SER 97 Cb -0.12 -2.09 1.10 0.00 0.10 0.00 0.00 66.02 65.01 2nqx s SER 97 CO -0.03 -2.59 1.92 0.25 0.98 0.00 0.00 173.24 173.77 2nqx h LEU 98 N -1.52 0.34 -1.24 2.42 6.46 -0.93 -1.83 115.31 119.01 2nqx h LEU 98 Ca -0.50 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.30 2nqx h LEU 98 Cb 1.29 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 41.13 2nqx h LEU 98 CO 0.56 0.17 0.52 0.25 -0.62 0.00 0.00 178.44 179.32 2nqx h LEU 99 N 0.36 0.88 -0.96 2.25 5.85 -1.68 -2.09 115.31 119.93 2nqx h LEU 99 Ca 0.36 -0.02 0.23 0.00 0.84 0.00 0.00 57.88 59.29 2nqx h LEU 99 Cb 0.90 -0.21 -0.12 0.00 0.37 0.00 0.00 40.66 41.60 2nqx h LEU 99 CO -0.11 0.62 0.52 0.15 -0.34 0.00 0.00 178.44 179.29 2nqx h PHE 100 N 1.03 0.89 0.04 1.25 3.57 -1.59 0.18 116.94 122.31 2nqx h PHE 100 Ca 0.30 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.83 2nqx h PHE 100 Cb -0.06 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.44 2nqx h PHE 100 CO -0.00 0.05 -0.02 1.98 -2.23 0.00 0.00 178.31 178.09 2nqx h MET 101 N 0.54 -0.06 -0.31 1.11 4.05 -1.53 -3.26 114.93 115.47 2nqx h MET 101 Ca 0.60 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 60.08 2nqx h MET 101 Cb 1.11 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.91 2nqx h MET 101 CO -0.48 0.48 0.21 0.37 0.23 0.00 0.00 176.91 177.73 2nqx h GLN 102 N -0.65 0.18 -0.15 0.39 5.75 -0.56 -2.14 115.11 117.93 2nqx h GLN 102 Ca -0.01 -0.01 -0.18 0.00 -0.15 0.00 0.00 58.65 58.31 2nqx h GLN 102 Cb 0.57 -0.04 0.01 0.00 1.07 0.00 0.00 27.48 29.09 2nqx h GLN 102 CO 0.01 0.12 -0.60 2.35 -2.65 0.00 0.00 178.83 178.06 2nqx h TRP 103 N 0.18 0.89 -0.69 3.99 2.91 -0.86 -2.91 115.95 119.47 2nqx h TRP 103 Ca 0.14 -0.38 0.14 0.00 1.13 0.00 0.00 58.89 59.92 2nqx h TRP 103 Cb 0.32 -0.14 -0.10 0.00 -0.51 0.00 0.00 29.16 28.72 2nqx h TRP 103 CO -0.00 1.18 0.14 0.78 -1.03 0.00 0.00 178.44 179.51 2nqx h GLY 104 N 0.35 0.91 1.31 2.65 0.00 -1.43 0.16 103.07 107.02 2nqx h GLY 104 Ca -0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 2nqx h GLY 104 CO 0.13 -0.18 0.10 -1.61 0.00 0.00 0.00 176.54 174.98 2nqx h GLN 105 N 0.25 0.86 0.67 4.80 4.15 -1.50 0.54 115.11 124.89 2nqx h GLN 105 Ca 0.38 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 59.57 2nqx h GLN 105 Cb 0.62 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 28.20 2nqx h GLN 105 CO -0.48 0.79 -0.32 0.82 -1.93 0.00 0.00 178.83 177.70 2nqx h ILE 106 N 0.82 0.29 -0.22 2.39 1.08 -0.97 -1.93 117.51 118.98 2nqx h ILE 106 Ca 0.17 -0.12 0.05 0.00 -0.39 0.00 0.00 64.86 64.57 2nqx h ILE 106 Cb 0.35 0.33 -0.07 0.00 -3.07 0.00 0.00 36.82 34.36 2nqx h ILE 106 CO 0.00 0.01 -0.47 0.58 -0.69 0.00 0.00 178.15 177.59 2nqx h VAL 107 N -0.99 0.08 -0.45 1.67 2.07 -0.49 -2.05 116.25 116.09 2nqx h VAL 107 Ca -0.09 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.51 2nqx h VAL 107 Cb 0.72 0.08 -0.10 0.00 -1.52 0.00 0.00 31.29 30.47 2nqx h VAL 107 CO 0.15 0.00 -0.34 -0.78 0.02 0.00 0.00 177.57 176.62 2nqx h ASP 108 N -0.47 -1.16 0.24 0.57 -0.00 -0.92 -1.39 116.42 113.29 2nqx h ASP 108 Ca 0.08 0.20 -0.00 0.00 -0.00 0.00 0.00 57.03 57.31 2nqx h ASP 108 Cb 0.63 0.54 -0.00 0.00 -0.00 0.00 0.00 39.33 40.51 2nqx h ASP 108 CO -0.47 -0.32 -0.01 0.45 -0.00 0.00 0.00 179.24 178.89 2nqx h HIS 109 N -0.24 0.00 -0.16 0.28 3.86 -0.71 0.19 115.15 118.37 2nqx h HIS 109 Ca 0.18 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.19 2nqx h HIS 109 Cb 0.55 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.03 2nqx h HIS 109 CO -0.58 0.01 -0.67 0.22 0.86 0.00 0.00 177.93 177.77 2nqx h ASP 110 N 0.00 0.87 0.19 2.45 1.82 -0.60 -3.39 116.42 117.75 2nqx h ASP 110 Ca -0.00 -0.62 -0.30 0.00 -0.39 0.00 0.00 57.03 55.72 2nqx h ASP 110 Cb 0.14 -0.26 0.02 0.00 0.68 0.00 0.00 39.33 39.91 2nqx h ASP 110 CO 0.00 1.34 -1.42 -0.07 -1.61 0.00 0.00 179.24 177.48 2nqx h LEU 111 N 0.45 0.61 -7.54 2.28 3.38 -0.25 -3.39 115.31 110.86 2nqx h LEU 111 Ca -0.04 -0.92 -0.13 0.00 0.09 0.00 0.00 57.88 56.88 2nqx h LEU 111 Cb 1.30 -0.20 -0.21 0.00 0.09 0.00 0.00 40.66 41.64 2nqx h LEU 111 CO 0.14 1.66 -0.34 1.51 0.09 0.00 0.00 178.44 181.50 2nqx s ASP 112 N -7.27 -0.17 -0.30 -0.43 -4.77 -0.61 -4.31 116.67 98.81 2nqx s ASP 112 Ca -0.14 0.13 -0.02 0.00 -3.30 0.00 0.00 52.55 49.22 2nqx s ASP 112 Cb 0.04 0.35 0.18 0.00 -1.09 0.00 0.00 42.92 42.40 2nqx s ASP 112 CO 0.86 -0.36 0.62 0.12 0.70 0.00 0.00 175.17 177.11 2nqx s PHE 113 N -1.03 -1.55 -0.62 2.11 5.36 -1.26 -4.58 117.98 116.42 2nqx s PHE 113 Ca -0.11 1.73 -0.07 0.00 -0.96 0.00 0.00 56.93 57.52 2nqx s PHE 113 Cb -0.05 0.58 0.16 0.00 -0.34 0.00 0.00 43.02 43.37 2nqx s PHE 113 CO 0.03 -0.84 0.47 0.00 -1.46 0.00 0.00 175.22 173.42 2nqx s ALA 114 N 2.86 3.62 0.47 11.12 0.00 -1.25 0.18 121.76 138.76 2nqx s ALA 114 Ca 0.18 -3.04 -0.23 0.00 0.00 0.00 0.00 51.96 48.87 2nqx s ALA 114 Cb -0.15 -2.88 -0.07 0.00 0.00 0.00 0.00 23.12 20.03 2nqx s ALA 114 CO -0.20 -2.07 1.24 -2.14 0.00 0.00 0.00 175.76 172.59 2nqx s PRO 115 N 0.44 3.63 0.90 0.00 0.02 -1.26 -4.77 135.00 133.96 2nqx s PRO 115 Ca 0.14 1.97 -0.11 0.00 0.02 0.00 0.00 61.00 63.02 2nqx s PRO 115 Cb -0.20 -2.43 0.14 0.00 0.02 0.00 0.00 34.50 32.03 2nqx s PRO 115 CO -0.04 -0.71 1.12 -1.21 -0.33 0.00 0.00 177.00 175.82 2nqx s GLU 116 N -2.66 1.13 0.23 5.54 2.02 -1.26 0.04 118.70 123.74 2nqx s GLU 116 Ca 0.64 1.32 -0.30 0.00 0.02 0.00 0.00 54.97 56.66 2nqx s GLU 116 Cb -0.34 -1.76 -0.09 0.00 0.10 0.00 0.00 34.13 32.05 2nqx s GLU 116 CO 0.41 -2.48 1.15 0.95 0.02 0.00 0.00 175.26 175.31 2nqx s THR 117 N -2.72 3.55 0.00 3.63 -4.23 -0.63 -4.30 115.64 110.95 2nqx s THR 117 Ca 0.65 1.41 0.00 0.00 -1.18 0.00 0.00 61.69 62.58 2nqx s THR 117 Cb -0.21 -3.90 0.00 0.00 1.34 0.00 0.00 72.50 69.73 2nqx s THR 117 CO 0.58 0.28 0.00 1.21 -0.54 0.00 0.00 174.62 176.15 2nqx n GLU 118 N 1.90 0.00 -3.64 3.99 2.13 -1.26 -4.87 120.64 118.89 2nqx n GLU 118 Ca 0.02 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.59 2nqx n GLU 118 Cb 0.45 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.10 2nqx n GLU 118 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2nqx n LEU 119 N 0.00 -0.60 -3.17 4.31 4.32 -1.26 -4.90 117.00 115.70 2nqx n LEU 119 Ca 0.00 -0.85 0.04 0.00 -0.02 0.00 0.00 56.01 55.18 2nqx n LEU 119 Cb 0.00 -1.08 -0.01 0.00 -1.62 0.00 0.00 43.42 40.71 2nqx n LEU 119 CO 0.00 0.19 0.30 -0.83 -1.22 0.00 0.00 177.39 175.83 2nqx s GLY 120 N -3.21 -0.78 -0.28 -0.72 0.00 -1.26 -5.08 107.32 96.00 2nqx s GLY 120 Ca 0.29 2.17 -0.24 0.00 0.00 0.00 0.00 44.72 46.94 2nqx s GLY 120 CO 0.68 3.49 0.86 -0.56 0.00 0.00 0.00 173.10 177.57 2nqx s SER 121 N 2.88 -0.63 -1.06 1.64 0.01 -1.26 -4.94 113.70 110.34 2nqx s SER 121 Ca 0.13 1.19 -0.13 0.00 1.31 0.00 0.00 55.95 58.45 2nqx s SER 121 Cb -0.13 1.21 -0.03 0.00 0.21 0.00 0.00 66.02 67.28 2nqx s SER 121 CO -0.18 -0.20 0.84 -3.20 0.41 0.00 0.00 173.24 170.90 2nqx n ASN 122 N 2.64 -6.07 -3.88 2.44 2.85 -1.26 -5.00 115.26 106.98 2nqx n ASN 122 Ca -0.14 -0.82 -0.12 0.00 -0.11 0.00 0.00 54.58 53.40 2nqx n ASN 122 Cb 0.56 -4.24 -0.13 0.00 1.24 0.00 0.00 39.78 37.21 2nqx n ASN 122 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2nqx s GLU 123 N -5.06 0.07 0.04 1.20 2.12 -1.26 -5.05 118.70 110.76 2nqx s GLU 123 Ca 0.42 -0.08 0.24 0.00 0.36 0.00 0.00 54.97 55.91 2nqx s GLU 123 Cb -0.11 0.03 0.31 0.00 0.26 0.00 0.00 34.13 34.62 2nqx s GLU 123 CO 0.80 -0.01 1.27 0.72 -0.54 0.00 0.00 175.26 177.50 2nqx n HIS 124 N 2.82 0.22 0.19 5.30 8.25 -1.26 -3.90 115.22 126.83 2nqx n HIS 124 Ca -0.14 0.06 0.07 0.00 -0.26 0.00 0.00 57.72 57.46 2nqx n HIS 124 Cb 0.59 -0.40 0.19 0.00 1.12 0.00 0.00 29.99 31.50 2nqx n HIS 124 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2nqx h SER 125 N 0.00 0.00 0.43 0.41 0.87 -1.96 1.68 113.55 114.98 2nqx h SER 125 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 2nqx h SER 125 Cb 0.62 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 2nqx h SER 125 CO 0.00 0.29 -0.30 0.11 -0.53 0.00 0.00 176.83 176.40 2nqx h LYS 126 N 0.00 0.00 0.04 2.24 1.57 -2.00 -1.12 116.57 117.30 2nqx h LYS 126 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 2nqx h LYS 126 Cb 1.10 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 2nqx h LYS 126 CO 0.04 0.30 -1.98 2.41 -0.57 0.00 0.00 179.45 179.65 2nqx n THR 127 N -3.92 1.62 0.31 -0.16 -1.04 -0.82 -2.57 114.28 107.70 2nqx n THR 127 Ca -0.02 -0.74 0.17 0.00 -2.04 0.00 0.00 64.05 61.42 2nqx n THR 127 Cb 0.37 -1.21 0.77 0.00 -1.82 0.00 0.00 70.33 68.45 2nqx n THR 127 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 2nqx h GLN 128 N 0.02 0.00 0.05 -2.82 -0.00 0.26 0.10 115.11 112.73 2nqx h GLN 128 Ca -0.40 0.00 -0.36 0.00 -0.00 0.00 0.00 58.65 57.89 2nqx h GLN 128 Cb 2.04 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 29.48 2nqx h GLN 128 CO 0.06 0.00 -2.08 0.00 0.00 0.00 0.00 178.83 176.81 2nqx h GLU 130 N -0.28 -0.21 0.00 0.00 4.39 -1.21 -2.97 114.58 114.30 2nqx h GLU 130 Ca -0.49 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.22 2nqx h GLU 130 Cb 1.81 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.51 2nqx h GLU 130 CO -0.08 0.09 -0.00 0.93 -1.16 0.00 0.00 179.01 178.79 2nqx h GLU 131 N -0.52 -0.00 0.00 2.33 4.39 -1.05 -3.40 114.58 116.33 2nqx h GLU 131 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2nqx h GLU 131 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2nqx h GLU 131 CO 0.04 0.59 -1.24 0.66 -1.16 0.00 0.00 179.01 177.89 2nqx n TYR 132 N -4.68 0.13 -3.65 4.33 4.02 -1.25 -4.92 117.16 111.14 2nqx n TYR 132 Ca -0.06 0.04 -0.25 0.00 -0.01 0.00 0.00 57.90 57.62 2nqx n TYR 132 Cb 0.28 -0.32 0.07 0.00 -0.02 0.00 0.00 39.34 39.35 2nqx n TYR 132 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2nqx s ILE 134 N -3.33 4.63 0.24 0.00 -1.09 -1.18 -4.91 121.20 115.56 2nqx s ILE 134 Ca 0.55 0.37 -0.31 0.00 -2.23 0.00 0.00 60.65 59.02 2nqx s ILE 134 Cb -0.25 -4.35 -0.12 0.00 -1.58 0.00 0.00 42.46 36.16 2nqx s ILE 134 CO 0.75 -0.77 1.64 1.67 -1.23 0.00 0.00 174.94 177.01 2nqx n GLN 135 N 6.78 2.64 0.00 2.79 7.27 -1.26 -4.75 117.38 130.84 2nqx n GLN 135 Ca 0.02 0.95 0.00 0.00 0.07 0.00 0.00 57.00 58.03 2nqx n GLN 135 Cb 0.48 -2.75 0.00 0.00 2.41 0.00 0.00 30.24 30.38 2nqx n GLN 135 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2nqx n GLY 136 N 3.14 1.77 7.00 1.69 0.00 -0.59 -5.02 105.19 113.18 2nqx n GLY 136 Ca 0.13 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2nqx n GLY 136 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2nqx n ASP 137 N 0.00 0.00 0.00 1.61 8.00 -1.26 -0.48 116.55 124.42 2nqx n ASP 137 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 2nqx n ASP 137 Cb 0.00 0.00 0.75 0.00 -0.02 0.00 0.00 41.12 41.85 2nqx n ASP 137 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2nqx n ASN 138 N 5.24 0.00 -4.62 -2.24 3.02 -1.26 -4.76 115.26 110.63 2nqx n ASN 138 Ca 0.00 -0.53 -0.42 0.00 -0.03 0.00 0.00 54.58 53.60 2nqx n ASN 138 Cb 0.00 -0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.00 2nqx n ASN 138 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2nqx n PHE 140 N 6.07 0.34 -1.87 0.00 7.35 -0.05 -1.54 117.46 127.75 2nqx n PHE 140 Ca 0.04 -3.62 -0.38 0.00 -0.76 0.00 0.00 57.45 52.73 2nqx n PHE 140 Cb 0.48 -0.12 0.04 0.00 0.35 0.00 0.00 39.48 40.23 2nqx n PHE 140 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 2nqx s PRO 141 N -0.75 3.15 -0.54 -7.13 0.02 -1.26 -4.33 135.00 124.17 2nqx s PRO 141 Ca 0.33 2.11 -0.18 0.00 0.02 0.00 0.00 61.00 63.28 2nqx s PRO 141 Cb 0.07 -2.20 0.09 0.00 0.02 0.00 0.00 34.50 32.48 2nqx s PRO 141 CO -0.16 -1.14 0.58 0.42 -0.33 0.00 0.00 177.00 176.37 2nqx s ILE 142 N -1.38 5.00 0.36 2.83 1.01 -0.55 -4.94 121.20 123.53 2nqx s ILE 142 Ca 0.72 -0.98 -0.26 0.00 0.00 0.00 0.00 60.65 60.13 2nqx s ILE 142 Cb -0.37 -4.34 -0.09 0.00 0.01 0.00 0.00 42.46 37.67 2nqx s ILE 142 CO 0.43 -0.88 1.07 -0.04 0.00 0.00 0.00 174.94 175.52 2nqx s MET 143 N 2.24 4.32 0.25 2.79 -1.94 -1.26 -1.11 119.30 124.58 2nqx s MET 143 Ca 0.09 1.62 -0.30 0.00 -1.71 0.00 0.00 55.69 55.40 2nqx s MET 143 Cb -0.24 -2.77 -0.09 0.00 2.01 0.00 0.00 34.83 33.74 2nqx s MET 143 CO 0.07 -0.03 0.96 -0.06 -0.01 0.00 0.00 175.02 175.95 2nqx s PHE 144 N -1.48 3.92 0.98 -0.03 2.99 -0.97 -4.64 117.98 118.77 2nqx s PHE 144 Ca 0.53 1.89 -0.15 0.00 0.00 0.00 0.00 56.93 59.20 2nqx s PHE 144 Cb -0.26 -3.01 0.19 0.00 0.00 0.00 0.00 43.02 39.94 2nqx s PHE 144 CO 0.33 0.34 1.20 -1.25 -0.00 0.00 0.00 175.22 175.83 2nqx s PRO 145 N -1.29 0.51 0.19 0.24 0.04 -1.26 -4.98 135.00 128.45 2nqx s PRO 145 Ca 0.42 -0.06 -0.31 0.00 0.04 0.00 0.00 61.00 61.10 2nqx s PRO 145 Cb -0.26 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 2nqx s PRO 145 CO 0.32 -2.56 1.40 0.21 0.04 0.00 0.00 177.00 176.42 2nqx s LYS 146 N -5.56 4.31 0.00 4.56 2.20 -1.26 -3.24 119.74 120.75 2nqx s LYS 146 Ca 0.69 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 58.46 2nqx s LYS 146 Cb -0.09 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 2nqx s LYS 146 CO 0.53 -0.39 0.00 0.09 -0.36 0.00 0.00 175.35 175.22 2nqx n ASN 147 N 3.08 -1.80 -4.73 1.43 5.03 -1.26 -5.05 115.26 111.95 2nqx n ASN 147 Ca 0.09 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.18 2nqx n ASN 147 Cb 0.41 -0.41 -0.07 0.00 -1.02 0.00 0.00 39.78 38.69 2nqx n ASN 147 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2nqx s ASP 148 N -2.82 6.33 0.55 6.41 -1.08 -1.20 -4.97 116.67 119.89 2nqx s ASP 148 Ca 0.00 0.38 0.31 0.00 -0.52 0.00 0.00 52.55 52.72 2nqx s ASP 148 Cb 0.00 -2.14 1.59 0.00 -1.46 0.00 0.00 42.92 40.91 2nqx s ASP 148 CO 0.00 0.15 2.11 -0.65 0.52 0.00 0.00 175.17 177.29 2nqx h PRO 149 N 6.61 0.00 0.00 4.34 0.11 -1.96 -2.40 132.00 138.70 2nqx h PRO 149 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2nqx h PRO 149 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2nqx h PRO 149 CO 0.75 0.08 0.00 1.63 -0.21 0.00 0.00 178.00 180.26 2nqx n LYS 150 N -3.50 0.07 -0.07 1.05 5.02 -1.26 -2.67 118.16 116.81 2nqx n LYS 150 Ca -0.02 0.26 -0.11 0.00 -2.02 0.00 0.00 58.31 56.43 2nqx n LYS 150 Cb 0.22 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.57 2nqx n LYS 150 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2nqx h LEU 151 N 0.00 0.32 -1.22 -0.35 3.38 -1.58 0.36 115.31 116.23 2nqx h LEU 151 Ca 0.00 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 2nqx h LEU 151 Cb 0.34 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2nqx h LEU 151 CO 0.00 0.44 -0.37 0.11 0.09 0.00 0.00 178.44 178.71 2nqx h LYS 152 N 0.19 0.00 0.00 1.13 1.57 -1.69 -3.33 116.57 114.44 2nqx h LYS 152 Ca 0.07 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.54 2nqx h LYS 152 Cb 0.23 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 2nqx h LYS 152 CO -0.00 0.37 -2.15 2.41 -0.57 0.00 0.00 179.45 179.50 2nqx n THR 153 N -3.90 1.15 -0.10 -0.16 -1.04 -1.16 -4.88 114.28 104.19 2nqx n THR 153 Ca -0.01 -0.40 -0.20 0.00 -2.04 0.00 0.00 64.05 61.39 2nqx n THR 153 Cb 0.43 -1.37 -0.08 0.00 -1.82 0.00 0.00 70.33 67.50 2nqx n THR 153 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2nqx n GLN 154 N -3.32 0.45 -0.37 -2.82 6.02 0.12 -5.10 117.38 112.37 2nqx n GLN 154 Ca -0.37 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 2nqx n GLN 154 Cb 0.86 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.84 2nqx n GLN 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nqx n GLY 155 N 1.93 -0.23 0.05 1.08 0.00 -0.96 -4.93 105.19 102.12 2nqx n GLY 155 Ca -0.39 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 44.75 2nqx n GLY 155 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nqx n LYS 156 N 0.00 0.36 -3.83 1.61 5.02 -1.26 -4.10 118.16 115.96 2nqx n LYS 156 Ca 0.00 0.02 -0.06 0.00 -2.02 0.00 0.00 58.31 56.26 2nqx n LYS 156 Cb 0.00 -1.64 0.01 0.00 -0.02 0.00 0.00 35.03 33.38 2nqx n LYS 156 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nqx s MET 158 N -2.66 3.20 0.36 0.00 -1.94 -0.27 -4.96 119.30 113.02 2nqx s MET 158 Ca 0.16 -0.71 -0.28 0.00 -1.71 0.00 0.00 55.69 53.15 2nqx s MET 158 Cb -0.04 -2.54 -0.10 0.00 2.01 0.00 0.00 34.83 34.16 2nqx s MET 158 CO 0.07 0.28 1.36 -1.25 -0.01 0.00 0.00 175.02 175.47 2nqx s PRO 159 N 0.17 4.21 -0.12 2.03 0.04 -1.26 -1.48 135.00 138.59 2nqx s PRO 159 Ca -0.08 2.32 -0.06 0.00 0.04 0.00 0.00 61.00 63.22 2nqx s PRO 159 Cb -0.15 -2.98 0.05 0.00 0.04 0.00 0.00 34.50 31.45 2nqx s PRO 159 CO 0.05 -0.35 0.28 0.12 0.04 0.00 0.00 177.00 177.14 2nqx s PHE 160 N -1.15 -0.40 -0.09 0.56 2.19 -1.26 -4.85 117.98 112.98 2nqx s PHE 160 Ca 0.51 0.91 0.03 0.00 0.33 0.00 0.00 56.93 58.72 2nqx s PHE 160 Cb -0.42 0.09 -0.01 0.00 -1.31 0.00 0.00 43.02 41.38 2nqx s PHE 160 CO 0.56 -0.27 -0.20 -0.06 1.83 0.00 0.00 175.22 177.08 2nqx s PHE 161 N 1.36 2.61 0.60 10.12 0.40 -1.26 -0.87 117.98 130.94 2nqx s PHE 161 Ca -0.09 -0.79 -0.19 0.00 -0.60 0.00 0.00 56.93 55.27 2nqx s PHE 161 Cb -0.10 -1.71 -0.04 0.00 0.51 0.00 0.00 43.02 41.67 2nqx s PHE 161 CO -0.09 -0.26 1.05 0.54 0.70 0.00 0.00 175.22 177.15 2nqx n ARG 162 N 3.29 1.01 -1.73 0.44 1.74 -0.04 -4.68 116.66 116.69 2nqx n ARG 162 Ca -0.18 0.39 -0.33 0.00 -0.77 0.00 0.00 57.85 56.96 2nqx n ARG 162 Cb 0.53 -2.25 0.05 0.00 -1.02 0.00 0.00 32.46 29.76 2nqx n ARG 162 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2nqx s ALA 163 N -1.47 2.48 0.86 7.54 0.00 -1.26 -1.61 121.76 128.31 2nqx s ALA 163 Ca 0.76 0.49 -0.10 0.00 0.00 0.00 0.00 51.96 53.11 2nqx s ALA 163 Cb -0.42 -3.30 0.11 0.00 0.00 0.00 0.00 23.12 19.51 2nqx s ALA 163 CO 0.47 -1.28 1.12 0.20 0.00 0.00 0.00 175.76 176.26 2nqx s GLY 164 N -2.71 1.67 0.07 0.00 0.00 0.11 -4.49 107.32 101.97 2nqx s GLY 164 Ca 0.66 0.38 -0.01 0.00 0.00 0.00 0.00 44.72 45.75 2nqx s GLY 164 CO 0.43 0.79 -0.02 -0.11 0.00 0.00 0.00 173.10 174.19 2nqx s PHE 165 N -2.77 0.61 0.85 1.90 -0.71 -1.26 -2.69 117.98 113.92 2nqx s PHE 165 Ca 0.64 -1.09 -0.11 0.00 -1.04 0.00 0.00 56.93 55.33 2nqx s PHE 165 Cb -0.20 -0.42 0.18 0.00 -1.21 0.00 0.00 43.02 41.37 2nqx s PHE 165 CO 0.57 -0.39 0.40 1.33 -1.34 0.00 0.00 175.22 175.80 2nqx n VAL 166 N 0.06 0.00 0.00 -2.49 0.24 -0.83 -4.56 118.33 110.76 2nqx n VAL 166 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 2nqx n VAL 166 Cb 0.61 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 2nqx n VAL 166 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2nqx n PRO 168 N -3.92 3.56 0.00 0.00 -0.05 -1.26 -4.18 135.00 129.15 2nqx n PRO 168 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 2nqx n PRO 168 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 2nqx n PRO 168 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 175.50 177.86 2nqx n THR 169 N 0.00 0.00 0.00 0.52 -1.04 -1.26 -4.72 114.28 107.77 2nqx n THR 169 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2nqx n THR 169 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2nqx n THR 169 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2nqx n PRO 170 N -1.19 0.00 0.00 -2.82 -0.02 -1.26 -4.89 135.00 124.81 2nqx n PRO 170 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2nqx n PRO 170 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2nqx n PRO 170 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2nqx n PRO 171 N 0.00 0.00 -0.62 0.52 -0.02 -1.26 -5.07 135.00 128.56 2nqx n PRO 171 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.56 2nqx n PRO 171 Cb 0.00 -0.82 -0.03 0.00 -0.02 0.00 0.00 33.50 32.64 2nqx n PRO 171 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2nqx n TYR 172 N -0.38 -1.59 -0.13 6.00 9.36 -1.26 -5.06 117.16 124.09 2nqx n TYR 172 Ca 0.00 0.82 0.00 0.00 3.32 0.00 0.00 57.90 62.04 2nqx n TYR 172 Cb 0.00 -1.44 0.00 0.00 -0.63 0.00 0.00 39.34 37.27 2nqx n TYR 172 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2nqx n GLN 173 N -3.02 1.22 0.00 2.98 10.64 -1.26 -5.15 117.38 122.78 2nqx n GLN 173 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 2nqx n GLN 173 Cb 0.29 -0.10 0.00 0.00 -0.86 0.00 0.00 30.24 29.56 2nqx n GLN 173 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2nqx n SER 174 N 0.00 0.00 -3.27 2.61 7.64 -1.26 -5.05 113.62 114.28 2nqx n SER 174 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2nqx n SER 174 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2nqx n SER 174 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nqx n LEU 175 N 0.00 0.00 -4.71 -3.43 -0.00 -1.26 -5.01 117.00 102.60 2nqx n LEU 175 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.70 2nqx n LEU 175 Cb 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 43.42 43.56 2nqx n LEU 175 CO 0.00 -0.36 0.69 0.00 -0.00 0.00 0.00 177.39 177.72 2nqx s ALA 176 N -3.09 1.74 -0.27 1.47 0.00 -1.26 -4.82 121.76 115.53 2nqx s ALA 176 Ca 0.00 0.50 -0.14 0.00 0.00 0.00 0.00 51.96 52.32 2nqx s ALA 176 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 2nqx s ALA 176 CO 0.00 -2.42 0.33 0.50 0.00 0.00 0.00 175.76 174.17 2nqx s ARG 177 N -4.71 4.01 -0.16 0.00 3.52 0.64 -4.99 118.95 117.26 2nqx s ARG 177 Ca 0.65 -0.04 -0.01 0.00 -0.13 0.00 0.00 55.73 56.20 2nqx s ARG 177 Cb -0.21 -3.65 -0.01 0.00 -1.56 0.00 0.00 34.95 29.52 2nqx s ARG 177 CO 0.57 -0.25 -0.11 -1.21 -0.81 0.00 0.00 175.30 173.49 2nqx s GLU 178 N 1.98 3.35 0.71 5.12 0.41 -1.26 -4.97 118.70 124.03 2nqx s GLU 178 Ca 0.13 -0.68 -0.11 0.00 -0.41 0.00 0.00 54.97 53.91 2nqx s GLU 178 Cb -0.16 -2.75 0.01 0.00 -1.78 0.00 0.00 34.13 29.46 2nqx s GLU 178 CO 0.10 0.05 1.06 -0.65 -0.49 0.00 0.00 175.26 175.33 2nqx s GLN 179 N 0.79 2.85 -0.02 1.61 1.11 -1.26 -1.96 119.66 122.77 2nqx s GLN 179 Ca -0.04 0.97 -0.12 0.00 0.01 0.00 0.00 55.36 56.18 2nqx s GLN 179 Cb -0.15 -1.98 -0.05 0.00 -1.01 0.00 0.00 33.01 29.82 2nqx s GLN 179 CO 0.01 -1.17 0.34 0.42 0.01 0.00 0.00 175.29 174.90 2nqx s ILE 180 N -3.03 5.16 -0.35 1.08 1.01 -1.09 -1.24 121.20 122.73 2nqx s ILE 180 Ca 0.58 0.64 -0.12 0.00 0.00 0.00 0.00 60.65 61.76 2nqx s ILE 180 Cb -0.14 -3.63 -0.00 0.00 0.01 0.00 0.00 42.46 38.70 2nqx s ILE 180 CO 0.55 0.57 0.21 0.21 0.00 0.00 0.00 174.94 176.48 2nqx s ASN 181 N -1.13 5.84 0.00 3.58 3.84 -0.35 -3.94 114.94 122.78 2nqx s ASN 181 Ca 0.22 -0.62 0.29 0.00 0.21 0.00 0.00 52.86 52.96 2nqx s ASN 181 Cb -0.15 -2.08 1.29 0.00 -0.55 0.00 0.00 41.25 39.76 2nqx s ASN 181 CO 0.11 -0.28 1.88 0.00 -2.79 0.00 0.00 177.10 176.03 2nqx n ALA 182 N 5.05 2.69 -2.54 1.71 0.00 0.13 -0.17 120.51 127.39 2nqx n ALA 182 Ca -0.13 -0.33 -0.25 0.00 0.00 0.00 0.00 53.44 52.73 2nqx n ALA 182 Cb 0.48 -1.30 -0.11 0.00 0.00 0.00 0.00 19.45 18.53 2nqx n ALA 182 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2nqx s VAL 183 N -2.16 1.51 0.32 0.00 -7.23 -1.26 -4.48 120.40 107.09 2nqx s VAL 183 Ca 0.37 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.30 2nqx s VAL 183 Cb 0.21 -2.83 -0.10 0.00 0.56 0.00 0.00 36.38 34.22 2nqx s VAL 183 CO 0.40 0.00 0.91 0.42 -0.31 0.00 0.00 175.10 176.51 2nqx s THR 184 N -3.02 4.30 -1.13 5.32 -4.23 -1.26 -4.33 115.64 111.28 2nqx s THR 184 Ca 0.34 1.68 0.24 0.00 -1.18 0.00 0.00 61.69 62.77 2nqx s THR 184 Cb 0.09 -3.93 0.27 0.00 1.34 0.00 0.00 72.50 70.26 2nqx s THR 184 CO 0.16 0.09 1.78 -1.20 -0.54 0.00 0.00 174.62 174.90 2nqx n SER 185 N 0.42 0.00 -4.85 3.99 7.64 -0.63 -4.40 113.62 115.79 2nqx n SER 185 Ca 0.02 0.33 -0.36 0.00 1.01 0.00 0.00 58.87 59.87 2nqx n SER 185 Cb 0.51 -0.43 -0.06 0.00 -1.01 0.00 0.00 64.21 63.22 2nqx n SER 185 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2nqx s PHE 186 N -2.87 3.63 -1.13 1.43 0.08 -1.26 -4.79 117.98 113.08 2nqx s PHE 186 Ca 0.15 0.99 -0.22 0.00 0.12 0.00 0.00 56.93 57.97 2nqx s PHE 186 Cb 0.16 -2.31 -0.03 0.00 -0.57 0.00 0.00 43.02 40.27 2nqx s PHE 186 CO 0.41 0.50 1.85 -1.17 -0.10 0.00 0.00 175.22 176.71 2nqx s LEU 187 N -1.76 3.28 -0.06 -0.37 0.20 -1.26 -4.61 118.68 114.10 2nqx s LEU 187 Ca 0.34 -1.58 0.12 0.00 0.69 0.00 0.00 54.13 53.70 2nqx s LEU 187 Cb -0.15 -2.58 0.23 0.00 -0.43 0.00 0.00 46.19 43.26 2nqx s LEU 187 CO 0.18 -2.46 1.11 -0.90 -0.29 0.00 0.00 176.35 173.99 2nqx n ASP 188 N 12.52 1.08 -3.33 3.68 5.75 -1.26 -4.67 116.55 130.31 2nqx n ASP 188 Ca 0.43 -2.57 -0.24 0.00 -0.01 0.00 0.00 54.79 52.41 2nqx n ASP 188 Cb 0.47 -0.33 0.03 0.00 -1.03 0.00 0.00 41.12 40.26 2nqx n ASP 188 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2nqx n ALA 189 N -0.43 -1.10 0.31 2.12 0.00 -1.26 -4.73 120.51 115.42 2nqx n ALA 189 Ca 0.08 0.26 0.16 0.00 0.00 0.00 0.00 53.44 53.94 2nqx n ALA 189 Cb 0.78 -4.06 0.71 0.00 0.00 0.00 0.00 19.45 16.89 2nqx n ALA 189 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2nqx h SER 190 N -1.65 0.00 1.57 0.00 4.64 -1.86 -0.75 113.55 115.50 2nqx h SER 190 Ca -0.52 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2nqx h SER 190 Cb 1.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2nqx h SER 190 CO 0.58 0.00 -0.00 0.17 -0.87 0.00 0.00 176.83 176.70 2nqx h LEU 191 N 0.00 0.00 0.01 5.97 -0.00 -1.84 0.20 115.31 119.65 2nqx h LEU 191 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.67 2nqx h LEU 191 Cb 0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.99 2nqx h LEU 191 CO 0.00 0.00 -1.13 0.58 -0.00 0.00 0.00 178.44 177.90 2nqx h VAL 192 N 0.00 1.03 0.00 0.15 2.07 -1.47 -1.56 116.25 116.47 2nqx h VAL 192 Ca -0.00 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.30 2nqx h VAL 192 Cb 0.79 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2nqx h VAL 192 CO 0.00 0.39 -1.01 -1.22 0.02 0.00 0.00 177.57 175.75 2nqx n TYR 193 N -4.40 0.25 0.00 1.57 4.01 -0.85 -2.81 117.16 114.94 2nqx n TYR 193 Ca -0.29 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 2nqx n TYR 193 Cb 0.68 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 2nqx n TYR 193 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2nqx n GLY 194 N 1.38 0.58 0.20 2.72 0.00 0.06 -4.01 105.19 106.12 2nqx n GLY 194 Ca 0.02 -1.78 0.02 0.00 0.00 0.00 0.00 46.02 44.29 2nqx n GLY 194 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2nqx n SER 195 N -0.68 1.58 -4.25 1.61 7.64 -1.26 -4.79 113.62 113.47 2nqx n SER 195 Ca 0.00 -1.36 -0.29 0.00 1.01 0.00 0.00 58.87 58.23 2nqx n SER 195 Cb 0.00 -0.02 -0.16 0.00 -1.01 0.00 0.00 64.21 63.02 2nqx n SER 195 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2nqx s GLU 196 N -0.51 1.98 0.28 1.43 2.02 -1.26 -3.67 118.70 118.97 2nqx s GLU 196 Ca 0.06 -0.83 0.03 0.00 0.02 0.00 0.00 54.97 54.25 2nqx s GLU 196 Cb 0.04 -1.85 0.67 0.00 0.10 0.00 0.00 34.13 33.09 2nqx s GLU 196 CO 0.06 0.46 1.72 -1.35 0.02 0.00 0.00 175.26 176.18 2nqx h PRO 197 N 5.68 0.49 0.41 0.39 0.11 -1.94 0.76 132.00 137.90 2nqx h PRO 197 Ca -0.39 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 2nqx h PRO 197 Cb 1.14 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2nqx h PRO 197 CO 0.47 0.32 -0.20 0.66 -0.21 0.00 0.00 178.00 179.05 2nqx h SER 198 N 0.50 -0.46 -0.28 -2.05 4.64 -1.99 -1.97 113.55 111.95 2nqx h SER 198 Ca 0.53 -0.11 0.03 0.00 -0.47 0.00 0.00 61.79 61.77 2nqx h SER 198 Cb 0.92 0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 2nqx h SER 198 CO -0.46 -0.11 0.09 0.25 -0.87 0.00 0.00 176.83 175.72 2nqx h LEU 199 N -0.85 0.08 -2.00 5.97 5.85 -1.88 -0.27 115.31 122.21 2nqx h LEU 199 Ca -0.06 0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.83 2nqx h LEU 199 Cb 0.55 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2nqx h LEU 199 CO 0.09 0.08 0.34 0.00 -0.34 0.00 0.00 178.44 178.62 2nqx h ALA 200 N 1.18 2.45 0.22 1.25 0.00 -0.87 -1.26 119.26 122.23 2nqx h ALA 200 Ca 0.12 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.69 2nqx h ALA 200 Cb 0.10 0.04 0.03 0.00 0.00 0.00 0.00 17.79 17.95 2nqx h ALA 200 CO -0.13 -0.59 -1.48 1.03 0.00 0.00 0.00 179.25 178.07 2nqx h SER 201 N 0.00 0.72 -0.42 0.00 0.87 -0.36 -3.26 113.55 111.10 2nqx h SER 201 Ca 0.23 -0.81 -0.02 0.00 -1.23 0.00 0.00 61.79 59.95 2nqx h SER 201 Cb 0.91 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.62 2nqx h SER 201 CO -0.00 1.64 0.20 -0.09 -0.53 0.00 0.00 176.83 178.05 2nqx h ARG 202 N 0.13 0.65 0.00 2.24 2.43 -0.03 -2.14 114.38 117.66 2nqx h ARG 202 Ca -0.25 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 2nqx h ARG 202 Cb 2.12 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.55 2nqx h ARG 202 CO 0.24 0.53 0.00 -0.07 -1.51 0.00 0.00 179.97 179.17 2nqx h LEU 203 N 0.65 0.00 -9.96 3.80 4.07 -1.35 -3.45 115.31 109.07 2nqx h LEU 203 Ca 0.16 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.58 2nqx h LEU 203 Cb 0.11 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 2nqx h LEU 203 CO -0.02 0.00 -0.14 -0.13 -1.08 0.00 0.00 178.44 177.08 2nqx s ARG 204 N -3.45 3.79 -0.72 1.13 0.52 -0.81 -0.62 118.95 118.80 2nqx s ARG 204 Ca 0.03 0.25 -0.17 0.00 -0.52 0.00 0.00 55.73 55.31 2nqx s ARG 204 Cb 0.09 -2.69 0.14 0.00 0.52 0.00 0.00 34.95 33.01 2nqx s ARG 204 CO 0.46 0.35 0.79 1.21 0.02 0.00 0.00 175.30 178.13 2nqx s ASN 205 N -2.32 6.42 0.00 0.23 3.84 -0.88 -4.51 114.94 117.72 2nqx s ASN 205 Ca 0.46 -1.90 0.21 0.00 0.21 0.00 0.00 52.86 51.84 2nqx s ASN 205 Cb -0.12 -2.29 0.54 0.00 -0.55 0.00 0.00 41.25 38.84 2nqx s ASN 205 CO 0.21 -0.95 1.46 0.18 -2.79 0.00 0.00 177.10 175.21 2nqx n LEU 206 N 5.70 3.31 0.22 3.21 4.77 -1.26 -3.92 117.00 129.03 2nqx n LEU 206 Ca 0.03 -1.57 0.11 0.00 -0.03 0.00 0.00 56.01 54.55 2nqx n LEU 206 Cb 0.45 -0.35 0.29 0.00 -2.33 0.00 0.00 43.42 41.47 2nqx n LEU 206 CO 0.50 0.78 0.78 0.28 -1.33 0.00 0.00 177.39 178.41 2nqx h SER 207 N 3.87 0.00 -4.10 -1.43 0.02 -1.98 -3.45 113.55 106.48 2nqx h SER 207 Ca 0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 2nqx h SER 207 Cb 0.87 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.14 2nqx h SER 207 CO 0.00 0.13 -0.76 -0.94 -1.14 0.00 0.00 176.83 174.12 2nqx s SER 208 N -6.15 0.80 -0.24 3.07 1.04 -1.25 -5.05 113.70 105.92 2nqx s SER 208 Ca 0.04 -0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.25 2nqx s SER 208 Cb 0.07 -0.06 0.12 0.00 0.10 0.00 0.00 66.02 66.24 2nqx s SER 208 CO 0.65 0.03 2.21 -0.81 0.98 0.00 0.00 173.24 176.31 2nqx n PRO 209 N 2.62 1.71 0.00 4.02 -0.04 -1.26 -4.09 135.00 137.97 2nqx n PRO 209 Ca -0.15 -1.28 0.11 0.00 -0.04 0.00 0.00 63.50 62.14 2nqx n PRO 209 Cb 0.57 -1.57 0.05 0.00 -0.04 0.00 0.00 33.50 32.51 2nqx n PRO 209 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2nqx n LEU 210 N 0.81 2.49 -1.40 1.53 4.77 -1.26 -2.90 117.00 121.04 2nqx n LEU 210 Ca 0.27 -0.89 -0.16 0.00 -0.03 0.00 0.00 56.01 55.20 2nqx n LEU 210 Cb 0.58 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.62 2nqx n LEU 210 CO 0.27 0.44 -0.17 0.61 -1.33 0.00 0.00 177.39 177.21 2nqx n GLY 211 N 1.33 0.92 3.87 -0.72 0.00 -1.25 -4.74 105.19 104.59 2nqx n GLY 211 Ca 0.11 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 2nqx n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nqx s LEU 212 N -3.87 3.45 0.03 0.99 1.43 -1.26 -4.04 118.68 115.41 2nqx s LEU 212 Ca 0.00 1.38 -0.18 0.00 -1.03 0.00 0.00 54.13 54.30 2nqx s LEU 212 Cb 0.00 -4.37 -0.06 0.00 0.03 0.00 0.00 46.19 41.79 2nqx s LEU 212 CO 0.00 -0.71 0.50 -0.04 0.23 0.00 0.00 176.35 176.34 2nqx s MET 213 N -4.67 4.11 0.11 1.70 -1.94 -1.26 -2.07 119.30 115.28 2nqx s MET 213 Ca 0.55 0.60 -0.35 0.00 -1.71 0.00 0.00 55.69 54.77 2nqx s MET 213 Cb -0.11 -3.25 -0.15 0.00 2.01 0.00 0.00 34.83 33.33 2nqx s MET 213 CO 0.44 0.61 1.49 0.00 -0.01 0.00 0.00 175.02 177.55 2nqx n ALA 214 N 1.97 0.35 -2.46 3.03 0.00 0.21 -4.72 120.51 118.88 2nqx n ALA 214 Ca -0.11 0.47 -0.25 0.00 0.00 0.00 0.00 53.44 53.55 2nqx n ALA 214 Cb 0.51 -2.24 -0.08 0.00 0.00 0.00 0.00 19.45 17.65 2nqx n ALA 214 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2nqx s VAL 215 N 0.87 2.24 0.42 0.00 -7.23 -1.26 -4.34 120.40 111.10 2nqx s VAL 215 Ca 0.82 -1.73 -0.25 0.00 -1.81 0.00 0.00 61.98 59.01 2nqx s VAL 215 Cb -0.80 -2.97 -0.08 0.00 0.56 0.00 0.00 36.38 33.09 2nqx s VAL 215 CO 0.42 0.00 1.28 0.21 -0.31 0.00 0.00 175.10 176.70 2nqx s ASN 216 N -3.89 6.22 -0.03 4.85 3.84 -0.98 -4.58 114.94 120.37 2nqx s ASN 216 Ca 0.40 2.59 0.11 0.00 0.21 0.00 0.00 52.86 56.17 2nqx s ASN 216 Cb 0.04 -2.63 -0.18 0.00 -0.55 0.00 0.00 41.25 37.94 2nqx s ASN 216 CO 0.22 -0.91 0.23 0.00 -2.79 0.00 0.00 177.10 173.85 2nqx n GLN 217 N -0.06 0.62 0.14 0.43 1.13 -1.26 -4.61 117.38 113.77 2nqx n GLN 217 Ca 0.05 -0.09 0.08 0.00 -1.94 0.00 0.00 57.00 55.10 2nqx n GLN 217 Cb 0.45 -1.28 0.06 0.00 0.11 0.00 0.00 30.24 29.57 2nqx n GLN 217 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2nqx h GLU 218 N 0.00 0.00 -3.17 -1.09 3.07 -1.98 -3.47 114.58 107.94 2nqx h GLU 218 Ca -0.04 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.66 2nqx h GLU 218 Cb 0.69 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 28.36 2nqx h GLU 218 CO 0.00 0.14 -0.42 0.00 -1.40 0.00 0.00 179.01 177.33 2nqx s ALA 219 N -3.17 -0.59 0.21 3.43 0.00 -1.26 -5.16 121.76 115.21 2nqx s ALA 219 Ca 0.03 0.56 0.07 0.00 0.00 0.00 0.00 51.96 52.61 2nqx s ALA 219 Cb 0.07 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 2nqx s ALA 219 CO 0.74 -0.14 -0.11 -1.58 0.00 0.00 0.00 175.76 174.67 2nqx s TRP 220 N -0.19 1.67 -0.57 0.00 0.52 -1.26 -4.36 118.94 114.73 2nqx s TRP 220 Ca -0.03 -0.65 0.04 0.00 0.02 0.00 0.00 56.10 55.48 2nqx s TRP 220 Cb -0.03 -0.83 0.16 0.00 -1.15 0.00 0.00 33.47 31.62 2nqx s TRP 220 CO 0.01 0.27 0.39 0.34 0.02 0.00 0.00 176.95 177.98 2nqx s ASP 221 N -3.31 3.86 -1.34 2.95 2.15 0.16 -4.82 116.67 116.30 2nqx s ASP 221 Ca 0.23 -3.37 -0.05 0.00 0.43 0.00 0.00 52.55 49.79 2nqx s ASP 221 Cb 0.01 -1.28 0.02 0.00 -0.30 0.00 0.00 42.92 41.37 2nqx s ASP 221 CO 0.07 -0.15 0.95 1.41 -0.17 0.00 0.00 175.17 177.28 2nqx n HIS 222 N 2.57 -2.29 -1.00 -5.34 8.25 -1.26 -1.51 115.22 114.64 2nqx n HIS 222 Ca 0.18 0.92 0.00 0.00 -0.26 0.00 0.00 57.72 58.56 2nqx n HIS 222 Cb 0.37 -4.63 0.00 0.00 1.12 0.00 0.00 29.99 26.85 2nqx n HIS 222 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nqx n GLY 223 N -1.59 0.47 3.73 -1.41 0.00 -1.26 -5.02 105.19 100.11 2nqx n GLY 223 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 2nqx n GLY 223 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nqx s LEU 224 N 0.00 3.37 0.33 0.99 1.43 -0.57 -5.12 118.68 119.12 2nqx s LEU 224 Ca 0.00 -0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 2nqx s LEU 224 Cb 0.00 -1.89 -0.08 0.00 0.03 0.00 0.00 46.19 44.26 2nqx s LEU 224 CO 0.00 -0.16 0.71 0.00 0.23 0.00 0.00 176.35 177.13 2nqx s ALA 225 N -2.33 3.38 0.40 4.21 0.00 -1.26 -0.67 121.76 125.49 2nqx s ALA 225 Ca 0.35 -0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.28 2nqx s ALA 225 Cb -0.05 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 2nqx s ALA 225 CO 0.23 0.25 0.23 0.71 0.00 0.00 0.00 175.76 177.17 2nqx s TYR 226 N -2.09 2.66 0.69 0.00 4.12 -1.26 -4.77 117.35 116.70 2nqx s TYR 226 Ca 0.52 -0.52 -0.12 0.00 0.02 0.00 0.00 57.07 56.97 2nqx s TYR 226 Cb -0.10 -1.97 0.01 0.00 -1.52 0.00 0.00 41.96 38.38 2nqx s TYR 226 CO 0.23 0.12 1.07 -0.51 0.02 0.00 0.00 175.55 176.48 2nqx s LEU 227 N -3.96 3.18 0.37 -1.29 1.43 -1.26 -2.32 118.68 114.83 2nqx s LEU 227 Ca 0.43 1.69 -0.26 0.00 -1.03 0.00 0.00 54.13 54.96 2nqx s LEU 227 Cb 0.01 -4.51 -0.09 0.00 0.03 0.00 0.00 46.19 41.63 2nqx s LEU 227 CO 0.24 -1.50 1.18 -2.84 0.23 0.00 0.00 176.35 173.66 2nqx s PRO 228 N -4.83 4.19 0.89 1.29 0.02 -1.26 -3.83 135.00 131.46 2nqx s PRO 228 Ca 0.60 1.88 -0.11 0.00 0.02 0.00 0.00 61.00 63.39 2nqx s PRO 228 Cb -0.15 -2.81 0.13 0.00 0.02 0.00 0.00 34.50 31.69 2nqx s PRO 228 CO 0.52 -0.21 1.11 -0.06 -0.33 0.00 0.00 177.00 178.02 2nqx s PHE 229 N -1.34 2.02 -0.05 6.54 0.08 -1.26 0.32 117.98 124.29 2nqx s PHE 229 Ca 0.54 1.56 -0.18 0.00 0.12 0.00 0.00 56.93 58.97 2nqx s PHE 229 Cb -0.32 -3.19 -0.05 0.00 -0.57 0.00 0.00 43.02 38.89 2nqx s PHE 229 CO 0.41 -2.52 0.51 1.21 -0.10 0.00 0.00 175.22 174.73 2nqx s ASN 230 N -3.02 6.82 0.09 1.36 3.84 0.66 -4.34 114.94 120.35 2nqx s ASN 230 Ca 0.65 0.98 -0.31 0.00 0.21 0.00 0.00 52.86 54.39 2nqx s ASN 230 Cb -0.20 -2.31 -0.13 0.00 -0.55 0.00 0.00 41.25 38.05 2nqx s ASN 230 CO 0.58 0.10 1.62 -1.13 -2.79 0.00 0.00 177.10 175.48 2nqx h ASN 231 N 5.93 -0.90 -2.47 -4.21 -0.73 -1.94 -3.45 115.58 107.81 2nqx h ASN 231 Ca -0.45 0.08 -0.60 0.00 1.87 0.00 0.00 56.30 57.20 2nqx h ASN 231 Cb 1.19 0.30 0.08 0.00 0.27 0.00 0.00 38.32 40.16 2nqx h ASN 231 CO 0.71 -0.48 0.57 1.17 -0.37 0.00 0.00 177.43 179.03 2nqx n LYS 232 N -5.45 1.87 -4.21 6.67 4.81 -1.26 -5.05 118.16 115.54 2nqx n LYS 232 Ca -0.10 0.67 -0.18 0.00 -0.87 0.00 0.00 58.31 57.83 2nqx n LYS 232 Cb 0.35 -2.31 -0.12 0.00 0.02 0.00 0.00 35.03 32.97 2nqx n LYS 232 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2nqx s LYS 233 N -0.22 0.77 0.44 1.64 1.02 -1.26 -4.12 119.74 118.01 2nqx s LYS 233 Ca 0.71 -0.78 -0.25 0.00 0.02 0.00 0.00 55.97 55.66 2nqx s LYS 233 Cb -0.70 -0.72 -0.09 0.00 -0.52 0.00 0.00 37.83 35.80 2nqx s LYS 233 CO 0.49 0.17 1.42 -0.35 -0.92 0.00 0.00 175.35 176.15 2nqx n PRO 234 N 1.67 2.24 -4.15 -1.68 -0.04 -1.26 -5.16 135.00 126.62 2nqx n PRO 234 Ca -0.20 0.80 -0.34 0.00 -0.04 0.00 0.00 63.50 63.72 2nqx n PRO 234 Cb 0.55 -2.60 -0.12 0.00 -0.04 0.00 0.00 33.50 31.29 2nqx n PRO 234 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2nqx s SER 235 N -0.45 5.05 0.36 3.54 0.15 -1.26 -5.01 113.70 116.08 2nqx s SER 235 Ca 0.61 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 57.20 2nqx s SER 235 Cb -0.46 -1.85 0.67 0.00 -1.71 0.00 0.00 66.02 62.67 2nqx s SER 235 CO 0.58 0.12 1.96 -0.65 1.20 0.00 0.00 173.24 176.45 2nqx h PRO 236 N 7.06 0.62 0.00 5.44 0.11 -1.92 -2.66 132.00 140.65 2nqx h PRO 236 Ca -0.34 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 2nqx h PRO 236 Cb 1.18 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2nqx h PRO 236 CO 0.64 0.51 -0.10 0.00 -0.21 0.00 0.00 178.00 178.83 2nqx h GLU 238 N 0.00 0.00 0.32 0.00 5.08 -1.51 -3.37 114.58 115.10 2nqx h GLU 238 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2nqx h GLU 238 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2nqx h GLU 238 CO 0.01 0.97 -0.15 0.35 -1.00 0.00 0.00 179.01 179.19 2nqx h PHE 239 N 0.00 -0.40 0.00 4.33 3.57 -1.18 -3.08 116.94 120.19 2nqx h PHE 239 Ca -0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2nqx h PHE 239 Cb 1.74 0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.62 2nqx h PHE 239 CO 0.00 -0.14 0.19 -0.84 -2.23 0.00 0.00 178.31 175.29 2nqx h ILE 240 N -0.59 0.00 -1.44 1.41 -0.00 -1.69 -3.23 117.51 111.97 2nqx h ILE 240 Ca -0.04 0.00 -0.17 0.00 -0.00 0.00 0.00 64.86 64.65 2nqx h ILE 240 Cb 0.43 0.46 -0.25 0.00 -0.00 0.00 0.00 36.82 37.46 2nqx h ILE 240 CO 0.07 0.00 -0.53 0.21 -0.00 0.00 0.00 178.15 177.90 2nqx s ASN 241 N -3.89 -0.32 0.00 2.16 3.84 -1.18 -5.03 114.94 110.52 2nqx s ASN 241 Ca -0.02 -0.83 0.17 0.00 0.21 0.00 0.00 52.86 52.39 2nqx s ASN 241 Cb 0.06 1.36 0.79 0.00 -0.55 0.00 0.00 41.25 42.91 2nqx s ASN 241 CO 0.19 -0.25 1.52 0.35 -2.79 0.00 0.00 177.10 176.12 2nqx n THR 242 N 4.68 0.68 -0.10 -5.21 -2.24 -1.17 -1.98 114.28 108.95 2nqx n THR 242 Ca 0.08 0.17 -0.20 0.00 -2.27 0.00 0.00 64.05 61.84 2nqx n THR 242 Cb 0.51 -0.88 -0.11 0.00 -2.10 0.00 0.00 70.33 67.75 2nqx n THR 242 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2nqx h THR 243 N 0.00 1.05 -0.27 4.28 2.02 -1.93 -3.37 112.91 114.69 2nqx h THR 243 Ca 0.00 -2.16 -0.01 0.00 0.77 0.00 0.00 66.41 65.00 2nqx h THR 243 Cb 0.23 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 2nqx h THR 243 CO 0.00 0.36 0.12 0.00 0.37 0.00 0.00 175.52 176.36 2nqx h ALA 244 N -0.42 1.70 -6.86 6.16 0.00 -1.86 -3.47 119.26 114.51 2nqx h ALA 244 Ca -0.27 -0.07 -0.56 0.00 0.00 0.00 0.00 54.91 54.01 2nqx h ALA 244 Cb 1.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2nqx h ALA 244 CO -0.16 0.25 -1.03 0.54 0.00 0.00 0.00 179.25 178.85 2nqx n ARG 245 N -4.43 -0.62 -4.05 0.00 1.74 -0.84 -4.96 116.66 103.50 2nqx n ARG 245 Ca 0.01 0.28 -0.33 0.00 -0.77 0.00 0.00 57.85 57.04 2nqx n ARG 245 Cb 0.12 -2.51 -0.15 0.00 -1.02 0.00 0.00 32.46 28.90 2nqx n ARG 245 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2nqx s VAL 246 N -3.38 2.30 1.16 1.55 1.01 -1.26 -4.98 120.40 116.80 2nqx s VAL 246 Ca 0.36 -1.54 -0.13 0.00 0.00 0.00 0.00 61.98 60.67 2nqx s VAL 246 Cb -0.20 -2.32 0.26 0.00 0.00 0.00 0.00 36.38 34.13 2nqx s VAL 246 CO 0.95 0.01 0.90 -2.65 0.00 0.00 0.00 175.10 174.31 2nqx n PRO 247 N 4.48 -2.29 -1.69 2.72 -0.02 -1.26 -3.47 135.00 133.47 2nqx n PRO 247 Ca -0.14 -0.64 -0.31 0.00 -2.02 0.00 0.00 63.50 60.39 2nqx n PRO 247 Cb 0.43 -2.12 0.04 0.00 -0.02 0.00 0.00 33.50 31.82 2nqx n PRO 247 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nqx s PHE 249 N -3.11 3.49 -0.43 0.00 0.08 -1.26 -0.25 117.98 116.49 2nqx s PHE 249 Ca 0.57 1.24 -0.10 0.00 0.12 0.00 0.00 56.93 58.77 2nqx s PHE 249 Cb -0.13 -2.62 0.09 0.00 -0.57 0.00 0.00 43.02 39.79 2nqx s PHE 249 CO 0.54 -0.30 0.29 -1.17 -0.10 0.00 0.00 175.22 174.48 2nqx s LEU 250 N -4.15 5.30 0.00 -0.37 2.96 0.15 -4.61 118.68 117.96 2nqx s LEU 250 Ca 0.55 -1.58 0.00 0.00 -0.22 0.00 0.00 54.13 52.88 2nqx s LEU 250 Cb -0.10 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.58 2nqx s LEU 250 CO 0.35 -0.58 0.02 0.00 -1.32 0.00 0.00 176.35 174.82 2nqx n ALA 251 N 4.94 0.27 0.24 5.97 0.00 -1.26 -4.36 120.51 126.31 2nqx n ALA 251 Ca -0.10 -1.31 0.08 0.00 0.00 0.00 0.00 53.44 52.11 2nqx n ALA 251 Cb 0.42 0.70 0.60 0.00 0.00 0.00 0.00 19.45 21.18 2nqx n ALA 251 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2nqx h GLY 252 N 0.67 0.00 -4.38 0.00 0.00 -1.18 -3.43 103.07 94.76 2nqx h GLY 252 Ca -0.24 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.40 2nqx h GLY 252 CO 0.40 0.00 -0.88 -0.35 0.00 0.00 0.00 176.54 175.71 2nqx s ASP 253 N -6.73 3.21 0.36 0.19 2.15 -0.67 -3.51 116.67 111.66 2nqx s ASP 253 Ca -0.04 -0.55 0.27 0.00 0.43 0.00 0.00 52.55 52.66 2nqx s ASP 253 Cb 0.15 -0.33 0.97 0.00 -0.30 0.00 0.00 42.92 43.41 2nqx s ASP 253 CO 0.66 0.27 1.79 -0.26 -0.17 0.00 0.00 175.17 177.46 2nqx h PHE 254 N 4.90 0.00 -0.11 -5.34 -1.00 -1.93 -2.99 116.94 110.48 2nqx h PHE 254 Ca -0.46 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.32 2nqx h PHE 254 Cb 1.14 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.70 2nqx h PHE 254 CO 0.47 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 177.71 2nqx n ARG 255 N -2.61 1.49 -0.34 1.51 3.00 -1.26 -4.58 116.66 113.87 2nqx n ARG 255 Ca 0.03 -0.74 0.09 0.00 -0.01 0.00 0.00 57.85 57.22 2nqx n ARG 255 Cb 0.33 -1.37 0.20 0.00 0.00 0.00 0.00 32.46 31.62 2nqx n ARG 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2nqx h ALA 256 N 3.91 0.85 -0.01 7.54 0.00 -1.87 0.76 119.26 130.44 2nqx h ALA 256 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2nqx h ALA 256 Cb 0.33 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2nqx h ALA 256 CO 0.00 -0.46 -0.02 0.43 0.00 0.00 0.00 179.25 179.20 2nqx n SER 257 N -5.55 1.24 -0.10 0.00 7.64 -1.26 -2.82 113.62 112.76 2nqx n SER 257 Ca 0.18 -1.36 0.25 0.00 1.01 0.00 0.00 58.87 58.95 2nqx n SER 257 Cb 0.59 0.01 0.55 0.00 -1.01 0.00 0.00 64.21 64.35 2nqx n SER 257 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2nqx h GLU 258 N 1.92 0.00 -1.67 1.43 4.22 -1.17 -2.24 114.58 117.07 2nqx h GLU 258 Ca 0.00 0.00 0.05 0.00 0.08 0.00 0.00 59.36 59.49 2nqx h GLU 258 Cb 0.43 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.45 2nqx h GLU 258 CO 0.00 0.00 0.44 1.14 -2.18 0.00 0.00 179.01 178.41 2nqx s GLN 259 N -4.49 0.66 0.24 1.92 1.03 -1.26 -2.50 119.66 115.26 2nqx s GLN 259 Ca -0.03 0.33 -0.08 0.00 0.04 0.00 0.00 55.36 55.62 2nqx s GLN 259 Cb 0.14 0.32 0.40 0.00 0.03 0.00 0.00 33.01 33.90 2nqx s GLN 259 CO 0.49 -0.17 1.66 0.97 -2.54 0.00 0.00 175.29 175.69 2nqx h ILE 260 N 2.97 0.43 -0.23 3.63 2.10 -1.69 0.99 117.51 125.71 2nqx h ILE 260 Ca -0.23 -0.05 -0.06 0.00 1.08 0.00 0.00 64.86 65.60 2nqx h ILE 260 Cb 1.16 0.27 -0.01 0.00 -1.09 0.00 0.00 36.82 37.15 2nqx h ILE 260 CO 0.26 0.03 -0.12 -0.07 -1.08 0.00 0.00 178.15 177.16 2nqx h LEU 261 N 0.15 0.37 -0.19 2.19 4.07 -1.94 0.18 115.31 120.14 2nqx h LEU 261 Ca 0.39 -0.09 -0.03 0.00 0.08 0.00 0.00 57.88 58.23 2nqx h LEU 261 Cb 0.66 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 2nqx h LEU 261 CO -0.58 0.52 -0.01 0.25 -1.08 0.00 0.00 178.44 177.54 2nqx h LEU 262 N 0.36 0.34 -1.01 1.67 5.85 -1.14 -1.94 115.31 119.44 2nqx h LEU 262 Ca 0.07 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 2nqx h LEU 262 Cb 0.44 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2nqx h LEU 262 CO 0.03 0.59 0.30 0.00 -0.34 0.00 0.00 178.44 179.01 2nqx h ALA 263 N 0.76 1.22 0.03 1.25 0.00 -0.77 -1.37 119.26 120.39 2nqx h ALA 263 Ca 0.05 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2nqx h ALA 263 Cb 0.42 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2nqx h ALA 263 CO 0.01 0.58 -0.20 1.15 0.00 0.00 0.00 179.25 180.79 2nqx h THR 264 N 0.99 0.53 -0.84 0.00 2.02 -0.56 -0.12 112.91 114.93 2nqx h THR 264 Ca 0.24 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.45 2nqx h THR 264 Cb 0.16 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.05 2nqx h THR 264 CO -0.02 0.00 0.54 0.00 0.37 0.00 0.00 175.52 176.40 2nqx h ALA 265 N 0.52 1.10 -0.07 6.16 0.00 -1.01 -1.49 119.26 124.46 2nqx h ALA 265 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2nqx h ALA 265 Cb 0.40 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2nqx h ALA 265 CO -0.16 0.37 0.05 0.45 0.00 0.00 0.00 179.25 179.95 2nqx h HIS 266 N 1.04 0.10 -0.67 0.00 3.86 -0.96 -2.54 115.15 115.98 2nqx h HIS 266 Ca 0.33 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.64 2nqx h HIS 266 Cb 0.01 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.38 2nqx h HIS 266 CO -0.02 0.07 0.29 1.15 0.86 0.00 0.00 177.93 180.28 2nqx h THR 267 N 0.09 0.79 -0.71 2.45 2.02 -0.45 0.17 112.91 117.28 2nqx h THR 267 Ca 0.03 -0.17 0.09 0.00 0.77 0.00 0.00 66.41 67.12 2nqx h THR 267 Cb -0.00 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 66.61 2nqx h THR 267 CO -0.01 0.09 0.47 -0.07 0.37 0.00 0.00 175.52 176.37 2nqx h LEU 268 N 0.50 0.56 0.19 2.58 4.07 -1.08 -2.08 115.31 120.05 2nqx h LEU 268 Ca 0.34 0.01 -0.31 0.00 0.08 0.00 0.00 57.88 58.00 2nqx h LEU 268 Cb 0.40 -0.11 0.02 0.00 1.08 0.00 0.00 40.66 42.06 2nqx h LEU 268 CO -0.30 0.34 -1.38 -0.07 -1.08 0.00 0.00 178.44 175.95 2nqx h LEU 269 N 0.63 0.62 -0.47 1.67 3.38 -0.32 -2.46 115.31 118.36 2nqx h LEU 269 Ca 0.32 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2nqx h LEU 269 Cb 0.43 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2nqx h LEU 269 CO -0.11 1.54 0.30 0.25 0.09 0.00 0.00 178.44 180.50 2nqx h LEU 270 N 0.11 0.55 -0.89 1.67 5.85 -1.02 -2.35 115.31 119.24 2nqx h LEU 270 Ca -0.20 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2nqx h LEU 270 Cb 2.07 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.92 2nqx h LEU 270 CO 0.24 0.43 0.56 0.03 -0.34 0.00 0.00 178.44 179.35 2nqx h ARG 271 N 0.63 1.19 0.00 1.25 3.08 -1.41 -2.23 114.38 116.90 2nqx h ARG 271 Ca 0.17 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 2nqx h ARG 271 Cb -0.04 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.75 2nqx h ARG 271 CO -0.03 0.82 -0.28 1.49 -1.07 0.00 0.00 179.97 180.89 2nqx h GLU 272 N 1.22 0.00 0.21 0.04 4.57 -1.18 -1.74 114.58 117.70 2nqx h GLU 272 Ca 0.32 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.49 2nqx h GLU 272 Cb -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 2nqx h GLU 272 CO -0.06 0.28 -0.10 1.25 -1.18 0.00 0.00 179.01 179.20 2nqx h HIS 273 N 0.00 -0.27 0.00 0.92 2.76 -0.87 -2.46 115.15 115.24 2nqx h HIS 273 Ca -0.00 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 2nqx h HIS 273 Cb 0.51 0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.55 2nqx h HIS 273 CO 0.00 0.06 -0.09 -0.91 -1.30 0.00 0.00 177.93 175.69 2nqx h ASN 274 N -0.62 0.00 0.50 3.26 4.21 -1.41 0.64 115.58 122.16 2nqx h ASN 274 Ca -0.03 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.46 2nqx h ASN 274 Cb 0.45 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 2nqx h ASN 274 CO 0.05 0.09 -0.24 -0.09 -1.29 0.00 0.00 177.43 175.95 2nqx h ARG 275 N 0.00 -0.65 -0.94 0.81 2.43 -1.25 -2.31 114.38 112.47 2nqx h ARG 275 Ca -0.00 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.27 2nqx h ARG 275 Cb 0.17 0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 2nqx h ARG 275 CO 0.01 -0.36 0.60 -0.07 -1.51 0.00 0.00 179.97 178.64 2nqx h LEU 276 N -0.85 0.97 -1.42 3.80 4.07 -1.10 -1.20 115.31 119.58 2nqx h LEU 276 Ca -0.07 0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.85 2nqx h LEU 276 Cb 0.59 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 2nqx h LEU 276 CO 0.11 0.63 -0.17 0.00 -1.08 0.00 0.00 178.44 177.93 2nqx h ALA 277 N 1.42 1.52 0.00 1.53 0.00 -0.74 0.28 119.26 123.27 2nqx h ALA 277 Ca 0.40 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 2nqx h ALA 277 Cb 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2nqx h ALA 277 CO -0.16 0.35 -1.67 2.89 0.00 0.00 0.00 179.25 180.66 2nqx n ARG 278 N -4.26 0.64 0.09 0.00 1.85 -0.88 -2.45 116.66 111.65 2nqx n ARG 278 Ca -0.01 0.10 -0.06 0.00 -1.00 0.00 0.00 57.85 56.88 2nqx n ARG 278 Cb 0.28 -1.71 0.08 0.00 -1.05 0.00 0.00 32.46 30.07 2nqx n ARG 278 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2nqx h GLU 279 N 0.00 0.19 -0.03 2.89 4.39 -1.03 -1.96 114.58 119.03 2nqx h GLU 279 Ca -0.20 -0.15 -0.21 0.00 0.34 0.00 0.00 59.36 59.14 2nqx h GLU 279 Cb 1.57 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.25 2nqx h GLU 279 CO 0.03 0.81 -0.87 -0.07 -1.16 0.00 0.00 179.01 177.75 2nqx h LEU 280 N 0.13 0.51 -0.85 1.33 3.38 -0.55 -3.00 115.31 116.26 2nqx h LEU 280 Ca -0.02 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 2nqx h LEU 280 Cb 1.24 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 2nqx h LEU 280 CO 0.10 1.16 0.33 0.50 0.09 0.00 0.00 178.44 180.63 2nqx h LYS 281 N 0.24 1.18 -0.01 1.13 1.63 -1.41 0.27 116.57 119.60 2nqx h LYS 281 Ca -0.06 -0.20 -0.06 0.00 -0.85 0.00 0.00 60.65 59.48 2nqx h LYS 281 Cb 1.48 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 32.91 2nqx h LYS 281 CO 0.15 0.94 -0.28 0.87 -3.45 0.00 0.00 179.45 177.68 2nqx h LYS 282 N 1.15 0.02 0.03 1.90 1.57 -1.35 -2.49 116.57 117.39 2nqx h LYS 282 Ca 0.27 -0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.77 2nqx h LYS 282 Cb 0.19 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2nqx h LYS 282 CO -0.02 0.30 -1.49 -0.07 -0.57 0.00 0.00 179.45 177.59 2nqx h LEU 283 N 0.02 0.09 -6.38 2.94 3.38 -1.29 -3.41 115.31 110.66 2nqx h LEU 283 Ca 0.00 -0.15 -0.59 0.00 0.09 0.00 0.00 57.88 57.23 2nqx h LEU 283 Cb 0.50 -0.03 -0.40 0.00 0.09 0.00 0.00 40.66 40.82 2nqx h LEU 283 CO 0.04 1.13 -0.85 0.59 0.09 0.00 0.00 178.44 179.43 2nqx n ASN 284 N -3.23 1.29 -0.01 -0.43 3.02 0.91 -4.74 115.26 112.08 2nqx n ASN 284 Ca -0.13 -2.85 0.15 0.00 -0.03 0.00 0.00 54.58 51.72 2nqx n ASN 284 Cb 1.02 -0.64 0.60 0.00 -0.61 0.00 0.00 39.78 40.14 2nqx n ASN 284 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2nqx h PRO 285 N 4.83 0.18 0.00 3.52 0.11 -1.70 -2.47 132.00 136.48 2nqx h PRO 285 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2nqx h PRO 285 Cb 0.82 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2nqx h PRO 285 CO 0.56 0.12 0.00 1.12 -0.21 0.00 0.00 178.00 179.59 2nqx h HIS 286 N 0.19 0.00 -3.97 0.65 2.07 -1.93 -3.46 115.15 108.70 2nqx h HIS 286 Ca 0.23 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.23 2nqx h HIS 286 Cb 0.67 0.00 0.08 0.00 2.57 0.00 0.00 27.41 30.73 2nqx h HIS 286 CO -0.00 0.00 0.57 -1.58 -3.07 0.00 0.00 177.93 173.85 2nqx s TRP 287 N -3.42 2.80 0.62 6.12 0.52 -0.93 -5.05 118.94 119.61 2nqx s TRP 287 Ca 0.04 1.46 0.01 0.00 0.02 0.00 0.00 56.10 57.63 2nqx s TRP 287 Cb 0.08 -3.58 0.07 0.00 -1.15 0.00 0.00 33.47 28.90 2nqx s TRP 287 CO 0.56 -1.94 0.87 0.54 0.02 0.00 0.00 176.95 176.99 2nqx s ASN 288 N -0.97 4.89 0.23 2.95 4.22 -1.26 -4.89 114.94 120.11 2nqx s ASN 288 Ca 0.60 -0.19 -0.07 0.00 -2.14 0.00 0.00 52.86 51.06 2nqx s ASN 288 Cb -0.35 -0.47 0.40 0.00 1.28 0.00 0.00 41.25 42.11 2nqx s ASN 288 CO 0.44 -1.45 1.67 1.23 -2.04 0.00 0.00 177.10 176.95 2nqx h GLY 289 N -0.17 0.87 1.02 0.45 0.00 -1.89 -0.15 103.07 103.20 2nqx h GLY 289 Ca -0.39 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 2nqx h GLY 289 CO 0.47 -0.21 0.53 -2.09 0.00 0.00 0.00 176.54 175.24 2nqx h GLU 290 N 0.20 1.27 -0.38 4.80 4.57 -1.95 -1.83 114.58 121.26 2nqx h GLU 290 Ca 0.38 -0.13 -0.05 0.00 -1.18 0.00 0.00 59.36 58.38 2nqx h GLU 290 Cb 0.64 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2nqx h GLU 290 CO -0.53 0.90 0.02 -0.22 -1.18 0.00 0.00 179.01 178.00 2nqx h LYS 291 N 1.28 0.65 -0.53 1.92 1.63 -1.42 -0.94 116.57 119.16 2nqx h LYS 291 Ca 0.33 -0.20 -0.05 0.00 -0.85 0.00 0.00 60.65 59.88 2nqx h LYS 291 Cb -0.02 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 2nqx h LYS 291 CO -0.06 0.74 0.13 -0.07 -3.45 0.00 0.00 179.45 176.74 2nqx h LEU 292 N 0.48 0.81 0.56 5.20 -0.00 -1.30 -0.70 115.31 120.36 2nqx h LEU 292 Ca 0.11 -0.23 -0.02 0.00 -0.00 0.00 0.00 57.88 57.74 2nqx h LEU 292 Cb 0.43 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.86 2nqx h LEU 292 CO 0.02 0.83 -0.44 0.22 -0.00 0.00 0.00 178.44 179.07 2nqx h TYR 293 N 0.75 -1.18 -0.70 1.13 3.20 -1.14 -1.51 116.97 117.52 2nqx h TYR 293 Ca 0.17 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 2nqx h TYR 293 Cb 0.34 0.44 -0.03 0.00 1.54 0.00 0.00 36.73 39.02 2nqx h TYR 293 CO 0.02 -0.62 0.26 1.96 -1.64 0.00 0.00 178.16 178.14 2nqx h GLN 294 N -0.97 1.06 -0.53 1.82 1.08 -1.12 -0.70 115.11 115.75 2nqx h GLN 294 Ca -0.07 -0.20 -0.11 0.00 -1.45 0.00 0.00 58.65 56.82 2nqx h GLN 294 Cb 0.82 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 28.07 2nqx h GLN 294 CO 0.01 0.89 -0.11 0.93 -0.95 0.00 0.00 178.83 179.60 2nqx h GLU 295 N 1.01 1.01 -0.16 1.46 4.39 -1.12 -0.51 114.58 120.67 2nqx h GLU 295 Ca 0.23 -0.38 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 2nqx h GLU 295 Cb 0.24 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2nqx h GLU 295 CO -0.02 1.06 -0.05 0.00 -1.16 0.00 0.00 179.01 178.85 2nqx h ALA 296 N 0.92 0.22 -0.73 3.43 0.00 -1.20 -2.35 119.26 119.53 2nqx h ALA 296 Ca 0.14 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 54.94 2nqx h ALA 296 Cb 0.68 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 2nqx h ALA 296 CO 0.05 -0.01 0.29 -0.09 0.00 0.00 0.00 179.25 179.48 2nqx h ARG 297 N 0.00 0.42 -0.73 0.00 2.43 -1.04 0.49 114.38 115.95 2nqx h ARG 297 Ca 0.04 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2nqx h ARG 297 Cb 0.49 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 2nqx h ARG 297 CO 0.02 0.28 0.42 -0.22 -1.51 0.00 0.00 179.97 178.96 2nqx h LYS 298 N 0.44 1.01 -0.41 0.20 3.64 -1.01 -1.18 116.57 119.26 2nqx h LYS 298 Ca 0.40 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.58 2nqx h LYS 298 Cb 0.59 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2nqx h LYS 298 CO -0.39 0.74 -0.10 0.82 -2.27 0.00 0.00 179.45 178.24 2nqx h ILE 299 N 1.00 1.27 -0.78 2.00 2.04 -0.65 -0.94 117.51 121.45 2nqx h ILE 299 Ca 0.26 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 2nqx h ILE 299 Cb 0.01 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 2nqx h ILE 299 CO -0.04 0.40 0.43 0.25 0.00 0.00 0.00 178.15 179.19 2nqx h LEU 300 N 0.60 0.98 -0.26 1.44 5.85 -0.79 0.13 115.31 123.26 2nqx h LEU 300 Ca 0.10 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2nqx h LEU 300 Cb 0.63 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2nqx h LEU 300 CO 0.04 0.79 0.15 1.23 -0.34 0.00 0.00 178.44 180.31 2nqx h GLY 301 N 1.09 0.35 0.63 3.75 0.00 -1.06 -0.90 103.07 106.93 2nqx h GLY 301 Ca 0.28 -0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.53 2nqx h GLY 301 CO -0.04 0.11 0.01 0.00 0.00 0.00 0.00 176.54 176.61 2nqx h ALA 302 N 1.11 0.23 -0.13 3.60 0.00 -0.78 -2.30 119.26 120.97 2nqx h ALA 302 Ca 0.10 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2nqx h ALA 302 Cb -0.01 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2nqx h ALA 302 CO -0.04 -0.41 -0.27 0.35 0.00 0.00 0.00 179.25 178.88 2nqx h PHE 303 N 0.09 -0.72 -0.40 0.00 3.57 -0.35 -1.56 116.94 117.58 2nqx h PHE 303 Ca 0.12 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.70 2nqx h PHE 303 Cb 0.15 0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 2nqx h PHE 303 CO -0.19 -0.35 0.16 0.82 -2.23 0.00 0.00 178.31 176.52 2nqx h ILE 304 N -0.33 0.90 -0.79 1.41 1.08 -1.03 -2.35 117.51 116.40 2nqx h ILE 304 Ca 0.10 -0.11 0.02 0.00 -0.39 0.00 0.00 64.86 64.48 2nqx h ILE 304 Cb 0.49 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 34.74 2nqx h ILE 304 CO -0.32 0.06 0.51 1.56 -0.69 0.00 0.00 178.15 179.27 2nqx h GLN 305 N 0.33 1.00 0.37 2.37 4.20 -0.96 -1.89 115.11 120.52 2nqx h GLN 305 Ca 0.18 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 2nqx h GLN 305 Cb 0.15 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2nqx h GLN 305 CO -0.17 0.66 -0.18 0.82 -0.67 0.00 0.00 178.83 179.29 2nqx h ILE 306 N 1.03 0.63 -0.26 2.54 2.04 -0.99 -1.72 117.51 120.78 2nqx h ILE 306 Ca 0.30 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.88 2nqx h ILE 306 Cb -0.06 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 2nqx h ILE 306 CO -0.09 0.06 -0.07 0.40 0.00 0.00 0.00 178.15 178.45 2nqx h ILE 307 N -0.69 0.72 -0.10 -0.67 1.08 -1.33 0.33 117.51 116.86 2nqx h ILE 307 Ca -0.05 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.45 2nqx h ILE 307 Cb 0.49 0.72 -0.04 0.00 -3.07 0.00 0.00 36.82 34.92 2nqx h ILE 307 CO 0.08 0.00 -0.14 0.74 -0.69 0.00 0.00 178.15 178.14 2nqx h THR 308 N -0.01 0.63 0.00 -0.27 2.02 -1.32 0.12 112.91 114.07 2nqx h THR 308 Ca 0.13 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.18 2nqx h THR 308 Cb 0.20 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 2nqx h THR 308 CO -0.27 0.00 -0.86 -0.26 0.37 0.00 0.00 175.52 174.50 2nqx h PHE 309 N -0.19 0.00 0.06 3.16 -1.00 -1.05 0.42 116.94 118.35 2nqx h PHE 309 Ca 0.08 0.00 -0.37 0.00 2.81 0.00 0.00 57.97 60.49 2nqx h PHE 309 Cb 0.30 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.82 2nqx h PHE 309 CO -0.24 0.54 -2.15 -2.13 -1.61 0.00 0.00 178.31 172.71 2nqx n ARG 310 N -3.10 0.70 -0.10 1.51 0.63 0.11 -4.58 116.66 111.83 2nqx n ARG 310 Ca -0.02 0.24 -0.14 0.00 -0.92 0.00 0.00 57.85 57.02 2nqx n ARG 310 Cb 0.78 -1.63 -0.10 0.00 0.45 0.00 0.00 32.46 31.96 2nqx n ARG 310 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2nqx n ASP 311 N -3.52 2.28 -0.08 6.15 8.00 0.29 -4.73 116.55 124.94 2nqx n ASP 311 Ca -0.38 -0.10 -0.13 0.00 0.71 0.00 0.00 54.79 54.88 2nqx n ASP 311 Cb 0.99 -0.21 -0.09 0.00 -0.02 0.00 0.00 41.12 41.79 2nqx n ASP 311 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2nqx h TYR 312 N 0.00 0.00 -0.18 1.24 3.20 -1.11 -3.39 116.97 116.73 2nqx h TYR 312 Ca -0.46 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.31 2nqx h TYR 312 Cb 1.74 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.99 2nqx h TYR 312 CO 0.02 0.88 -0.33 -0.07 -1.64 0.00 0.00 178.16 177.02 2nqx h LEU 313 N -1.00 0.38 -2.20 2.82 3.38 -1.17 -2.89 115.31 114.63 2nqx h LEU 313 Ca -0.12 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2nqx h LEU 313 Cb 0.88 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2nqx h LEU 313 CO -0.07 0.70 -0.01 -0.65 0.09 0.00 0.00 178.44 178.49 2nqx h PRO 314 N 0.32 0.00 -0.65 1.13 0.11 -1.81 0.05 132.00 131.16 2nqx h PRO 314 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2nqx h PRO 314 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2nqx h PRO 314 CO 0.06 0.01 0.00 0.44 -0.21 0.00 0.00 178.00 178.30 2nqx n ILE 315 N -3.13 0.97 -0.06 4.15 -5.35 -1.10 -2.66 119.36 112.17 2nqx n ILE 315 Ca -0.01 -0.98 -0.12 0.00 -0.27 0.00 0.00 62.75 61.36 2nqx n ILE 315 Cb 0.19 0.53 -0.04 0.00 -1.74 0.00 0.00 39.64 38.58 2nqx n ILE 315 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2nqx n VAL 316 N 1.44 1.18 0.79 7.28 0.31 -0.80 -3.95 118.33 124.58 2nqx n VAL 316 Ca 0.22 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.68 2nqx n VAL 316 Cb 0.59 -1.90 0.48 0.00 -0.91 0.00 0.00 33.84 32.10 2nqx n VAL 316 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2nqx n LEU 317 N -3.94 0.45 0.00 7.52 4.32 -0.06 0.01 117.00 125.31 2nqx n LEU 317 Ca -0.21 0.51 0.00 0.00 -0.02 0.00 0.00 56.01 56.29 2nqx n LEU 317 Cb 0.53 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.94 2nqx n LEU 317 CO 0.08 -0.09 0.00 0.61 -1.22 0.00 0.00 177.39 176.76 2nqx n GLY 318 N 1.40 3.36 0.26 -0.72 0.00 -1.09 -1.12 105.19 107.28 2nqx n GLY 318 Ca 0.06 0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.31 2nqx n GLY 318 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2nqx h SER 319 N 0.00 0.00 0.64 1.61 4.64 -1.53 -2.82 113.55 116.09 2nqx h SER 319 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nqx h SER 319 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2nqx h SER 319 CO 0.00 0.02 0.00 -0.62 -0.87 0.00 0.00 176.83 175.36 2nqx n GLU 320 N -3.12 0.21 -0.13 4.77 -0.58 -0.27 -3.86 120.64 117.66 2nqx n GLU 320 Ca 0.01 0.06 -0.07 0.00 -0.42 0.00 0.00 57.16 56.74 2nqx n GLU 320 Cb 0.38 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.73 2nqx n GLU 320 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2nqx h MET 321 N 0.00 -0.23 -0.84 3.49 4.05 -1.50 -2.44 114.93 117.45 2nqx h MET 321 Ca 0.00 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 2nqx h MET 321 Cb 0.32 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.13 2nqx h MET 321 CO 0.00 -0.16 0.49 1.96 0.23 0.00 0.00 176.91 179.43 2nqx h GLN 322 N -0.24 1.15 -0.36 0.39 4.20 -1.78 0.71 115.11 119.18 2nqx h GLN 322 Ca 0.18 -0.12 0.05 0.00 0.06 0.00 0.00 58.65 58.83 2nqx h GLN 322 Cb 0.54 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 2nqx h GLN 322 CO -0.57 0.83 0.24 -0.22 -0.67 0.00 0.00 178.83 178.44 2nqx h LYS 323 N 1.16 0.24 0.00 1.46 3.64 -1.66 -3.28 116.57 118.13 2nqx h LYS 323 Ca 0.30 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.61 2nqx h LYS 323 Cb -0.02 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2nqx h LYS 323 CO -0.05 0.16 -1.23 0.91 -2.27 0.00 0.00 179.45 176.96 2nqx n TRP 324 N -4.48 0.00 -3.81 1.91 7.02 -1.11 -4.84 117.44 112.13 2nqx n TRP 324 Ca 0.04 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.24 2nqx n TRP 324 Cb 0.25 -0.16 -0.12 0.00 -2.42 0.00 0.00 31.31 28.86 2nqx n TRP 324 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 2nqx n ILE 325 N -2.06 1.33 -1.27 -0.99 -0.00 0.23 -4.66 119.36 111.95 2nqx n ILE 325 Ca -0.05 -4.72 -0.30 0.00 -0.00 0.00 0.00 62.75 57.69 2nqx n ILE 325 Cb 0.54 -2.12 0.13 0.00 -0.00 0.00 0.00 39.64 38.19 2nqx n ILE 325 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2nqx s PRO 326 N -1.35 1.41 0.40 0.38 0.04 -1.24 -4.47 135.00 130.18 2nqx s PRO 326 Ca 0.27 0.79 -0.25 0.00 0.04 0.00 0.00 61.00 61.85 2nqx s PRO 326 Cb -0.02 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.58 2nqx s PRO 326 CO -0.17 -2.13 1.12 -2.30 0.04 0.00 0.00 177.00 173.57 2nqx n PRO 327 N -3.80 1.60 -1.68 0.56 -0.02 -1.26 -4.86 135.00 125.54 2nqx n PRO 327 Ca 0.07 0.57 -0.44 0.00 -2.02 0.00 0.00 63.50 61.68 2nqx n PRO 327 Cb 0.55 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 2nqx n PRO 327 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2nqx n TYR 328 N -0.27 2.50 0.61 6.00 9.36 -1.26 -4.90 117.16 129.20 2nqx n TYR 328 Ca 0.08 -0.06 0.07 0.00 3.32 0.00 0.00 57.90 61.32 2nqx n TYR 328 Cb 0.38 -2.69 0.04 0.00 -0.63 0.00 0.00 39.34 36.44 2nqx n TYR 328 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2nqx n GLN 329 N 5.50 1.36 0.00 2.98 6.02 -1.26 -5.10 117.38 126.88 2nqx n GLN 329 Ca 0.19 -1.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.07 2nqx n GLN 329 Cb 0.34 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.36 2nqx n GLN 329 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nqx n GLY 330 N 0.92 3.06 3.69 1.08 0.00 -1.26 -5.07 105.19 107.61 2nqx n GLY 330 Ca 0.07 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 2nqx n GLY 330 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2nqx n TYR 331 N -1.11 2.27 -3.85 1.61 9.36 -1.26 -4.89 117.16 119.29 2nqx n TYR 331 Ca 0.00 0.51 -0.29 0.00 3.32 0.00 0.00 57.90 61.43 2nqx n TYR 331 Cb 0.00 -2.44 -0.16 0.00 -0.63 0.00 0.00 39.34 36.12 2nqx n TYR 331 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2nqx s ASN 332 N -0.11 3.66 0.01 2.98 3.84 -0.00 -5.02 114.94 120.30 2nqx s ASN 332 Ca 0.59 -1.20 0.18 0.00 0.21 0.00 0.00 52.86 52.64 2nqx s ASN 332 Cb -0.59 -0.98 0.78 0.00 -0.55 0.00 0.00 41.25 39.92 2nqx s ASN 332 CO 0.58 -0.29 1.59 -0.46 -2.79 0.00 0.00 177.10 175.73 2nqx n ASN 333 N 4.79 0.04 0.05 -4.21 2.04 -1.26 -2.69 115.26 114.01 2nqx n ASN 333 Ca -0.09 0.51 0.13 0.00 -0.44 0.00 0.00 54.58 54.69 2nqx n ASN 333 Cb 0.44 -0.52 0.32 0.00 -2.53 0.00 0.00 39.78 37.50 2nqx n ASN 333 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 2nqx n SER 334 N -1.54 0.56 -4.76 0.53 7.64 -1.26 -4.88 113.62 109.91 2nqx n SER 334 Ca 0.04 0.21 -0.39 0.00 1.01 0.00 0.00 58.87 59.74 2nqx n SER 334 Cb 0.22 -0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.23 2nqx n SER 334 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2nqx s VAL 335 N -3.09 3.63 -0.44 0.44 1.01 -1.10 -5.02 120.40 115.83 2nqx s VAL 335 Ca 0.10 1.53 -0.22 0.00 0.00 0.00 0.00 61.98 63.39 2nqx s VAL 335 Cb 0.15 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.62 2nqx s VAL 335 CO 0.66 0.28 0.72 -0.62 0.00 0.00 0.00 175.10 176.14 2nqx s ASP 336 N -1.10 6.37 0.52 3.32 2.15 -1.26 -4.79 116.67 121.88 2nqx s ASP 336 Ca 0.47 -0.20 0.31 0.00 0.43 0.00 0.00 52.55 53.56 2nqx s ASP 336 Cb -0.28 -2.36 1.08 0.00 -0.30 0.00 0.00 42.92 41.06 2nqx s ASP 336 CO 0.36 -0.85 1.88 1.55 -0.17 0.00 0.00 175.17 177.94 2nqx h PRO 337 N 8.92 0.00 -6.79 4.34 0.13 -1.85 -3.42 132.00 133.32 2nqx h PRO 337 Ca -0.25 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.31 2nqx h PRO 337 Cb 1.09 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.35 2nqx h PRO 337 CO 0.93 0.00 0.43 0.54 -0.23 0.00 0.00 178.00 179.66 2nqx n ARG 338 N -3.08 1.80 -2.55 0.86 1.74 -1.26 -4.42 116.66 109.74 2nqx n ARG 338 Ca 0.02 0.64 -0.42 0.00 -0.77 0.00 0.00 57.85 57.31 2nqx n ARG 338 Cb 0.37 -2.31 -0.03 0.00 -1.02 0.00 0.00 32.46 29.47 2nqx n ARG 338 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2nqx s ILE 339 N -1.21 4.47 0.54 0.55 -1.09 -1.26 -4.80 121.20 118.39 2nqx s ILE 339 Ca 0.62 1.77 -0.18 0.00 -2.23 0.00 0.00 60.65 60.62 2nqx s ILE 339 Cb -0.52 -4.14 -0.06 0.00 -1.58 0.00 0.00 42.46 36.16 2nqx s ILE 339 CO 0.58 0.01 1.06 -0.94 -1.23 0.00 0.00 174.94 174.42 2nqx s SER 340 N 1.30 5.99 0.29 3.58 1.04 -1.26 -1.49 113.70 123.15 2nqx s SER 340 Ca 0.53 1.93 -0.02 0.00 0.48 0.00 0.00 55.95 58.88 2nqx s SER 340 Cb -0.22 -2.55 0.44 0.00 0.10 0.00 0.00 66.02 63.78 2nqx s SER 340 CO 0.21 -1.02 1.93 -1.13 0.98 0.00 0.00 173.24 174.21 2nqx h ASN 341 N 1.04 0.98 0.49 7.02 -0.73 -1.24 -2.54 115.58 120.61 2nqx h ASN 341 Ca -0.49 -0.01 -0.08 0.00 1.87 0.00 0.00 56.30 57.60 2nqx h ASN 341 Cb 1.23 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.58 2nqx h ASN 341 CO 0.58 0.67 -0.37 1.62 -0.37 0.00 0.00 177.43 179.56 2nqx h VAL 342 N 1.14 1.13 -0.86 2.57 3.04 -1.93 -2.98 116.25 118.36 2nqx h VAL 342 Ca 0.36 -1.34 0.00 0.00 -1.01 0.00 0.00 66.70 64.72 2nqx h VAL 342 Cb 0.02 1.75 -0.04 0.00 -2.01 0.00 0.00 31.29 31.00 2nqx h VAL 342 CO -0.11 0.37 0.55 0.15 -1.01 0.00 0.00 177.57 177.52 2nqx h PHE 343 N 0.00 1.11 0.00 3.17 3.57 -1.82 -1.16 116.94 121.81 2nqx h PHE 343 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2nqx h PHE 343 Cb 0.72 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.09 2nqx h PHE 343 CO 0.00 0.71 0.00 0.25 -2.23 0.00 0.00 178.31 177.04 2nqx n THR 344 N -4.39 1.29 -0.07 4.41 -2.24 -1.12 -0.96 114.28 111.21 2nqx n THR 344 Ca 0.10 0.47 -0.07 0.00 -2.27 0.00 0.00 64.05 62.28 2nqx n THR 344 Cb 0.04 -1.41 -0.10 0.00 -2.10 0.00 0.00 70.33 66.75 2nqx n THR 344 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2nqx n PHE 345 N -1.87 0.00 -0.27 4.78 3.01 -0.90 -4.27 117.46 117.92 2nqx n PHE 345 Ca 0.01 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.40 2nqx n PHE 345 Cb 0.09 -0.66 0.06 0.00 -0.01 0.00 0.00 39.48 38.95 2nqx n PHE 345 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2nqx h ALA 346 N 0.60 0.98 0.00 4.37 0.00 -0.08 -2.28 119.26 122.86 2nqx h ALA 346 Ca -0.37 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2nqx h ALA 346 Cb 1.81 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2nqx h ALA 346 CO 0.01 0.63 0.00 0.35 0.00 0.00 0.00 179.25 180.24 2nqx h PHE 347 N 1.10 0.00 0.00 0.00 3.04 -1.28 -2.73 116.94 117.07 2nqx h PHE 347 Ca 0.25 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.20 2nqx h PHE 347 Cb 0.25 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.76 2nqx h PHE 347 CO 0.02 0.00 0.00 0.54 -2.02 0.00 0.00 178.31 176.85 2nqx n ARG 348 N -2.71 0.33 0.20 1.11 1.74 -0.86 -2.48 116.66 113.99 2nqx n ARG 348 Ca 0.02 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.14 2nqx n ARG 348 Cb 0.30 -1.02 0.42 0.00 -1.02 0.00 0.00 32.46 31.14 2nqx n ARG 348 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2nqx h PHE 349 N 0.07 0.00 0.00 -1.55 -5.15 -1.66 -2.66 116.94 106.00 2nqx h PHE 349 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2nqx h PHE 349 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.19 2nqx h PHE 349 CO 0.00 0.32 0.00 0.78 -2.00 0.00 0.00 178.31 177.41 2nqx h GLY 350 N 1.15 0.00 1.72 6.09 0.00 -1.78 -2.35 103.07 107.90 2nqx h GLY 350 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2nqx h GLY 350 CO 0.04 0.00 -0.09 0.45 0.00 0.00 0.00 176.54 176.94 2nqx h HIS 351 N 0.00 0.37 -0.02 5.60 3.86 -1.74 -2.22 115.15 121.00 2nqx h HIS 351 Ca 0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2nqx h HIS 351 Cb 0.07 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.43 2nqx h HIS 351 CO 0.00 0.44 0.00 -1.33 0.86 0.00 0.00 177.93 177.90 2nqx n MET 352 N -4.27 1.10 -0.00 2.45 2.81 -0.88 -3.12 117.12 115.21 2nqx n MET 352 Ca 0.00 -0.15 0.07 0.00 -1.81 0.00 0.00 57.70 55.81 2nqx n MET 352 Cb 0.26 -1.33 -0.09 0.00 -0.71 0.00 0.00 33.22 31.35 2nqx n MET 352 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2nqx n GLU 353 N -0.67 1.78 -2.24 0.03 1.02 -0.84 -4.05 120.64 115.67 2nqx n GLU 353 Ca 0.16 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.84 2nqx n GLU 353 Cb 0.11 -1.23 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 2nqx n GLU 353 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2nqx s VAL 354 N -2.53 3.84 0.70 2.62 1.01 -1.18 0.02 120.40 124.87 2nqx s VAL 354 Ca 0.03 1.15 -0.09 0.00 0.00 0.00 0.00 61.98 63.07 2nqx s VAL 354 Cb 0.11 -3.74 0.16 0.00 0.00 0.00 0.00 36.38 32.90 2nqx s VAL 354 CO 0.60 -0.04 0.95 -0.81 0.00 0.00 0.00 175.10 175.80 2nqx n PRO 355 N 5.88 -0.71 0.07 2.72 -0.04 -1.26 -4.47 135.00 137.18 2nqx n PRO 355 Ca 0.14 -1.70 0.05 0.00 -0.04 0.00 0.00 63.50 61.95 2nqx n PRO 355 Cb 0.44 -0.90 -0.04 0.00 -0.04 0.00 0.00 33.50 32.95 2nqx n PRO 355 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2nqx n SER 356 N -3.46 0.86 -4.22 3.54 3.41 -1.26 -4.82 113.62 107.66 2nqx n SER 356 Ca 0.13 0.36 -0.18 0.00 -0.26 0.00 0.00 58.87 58.92 2nqx n SER 356 Cb 0.44 0.29 -0.11 0.00 -0.26 0.00 0.00 64.21 64.57 2nqx n SER 356 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2nqx s THR 357 N -3.13 1.25 -0.09 6.66 -4.23 -1.26 -0.68 115.64 114.16 2nqx s THR 357 Ca -0.02 -1.65 0.04 0.00 -1.18 0.00 0.00 61.69 58.88 2nqx s THR 357 Cb 0.09 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.49 2nqx s THR 357 CO 0.80 -0.40 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.58 2nqx s VAL 358 N -2.05 1.83 0.15 2.29 1.01 0.64 -4.83 120.40 119.44 2nqx s VAL 358 Ca 0.07 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.22 2nqx s VAL 358 Cb -0.05 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2nqx s VAL 358 CO 0.03 0.51 0.04 -0.44 0.00 0.00 0.00 175.10 175.24 2nqx s SER 359 N 0.43 5.09 0.10 3.32 0.01 -1.26 -1.03 113.70 120.35 2nqx s SER 359 Ca -0.18 -0.25 0.08 0.00 1.31 0.00 0.00 55.95 56.91 2nqx s SER 359 Cb -0.17 -1.21 -0.04 0.00 0.21 0.00 0.00 66.02 64.81 2nqx s SER 359 CO 0.08 0.11 -0.15 -0.13 0.41 0.00 0.00 173.24 173.56 2nqx s ARG 360 N -2.82 1.97 -0.01 12.44 3.00 -0.27 -4.37 118.95 128.88 2nqx s ARG 360 Ca 0.28 -1.09 0.00 0.00 0.00 0.00 0.00 55.73 54.93 2nqx s ARG 360 Cb -0.10 -2.21 0.01 0.00 0.00 0.00 0.00 34.95 32.66 2nqx s ARG 360 CO 0.20 0.50 -0.01 -0.51 0.00 0.00 0.00 175.30 175.48 2nqx s LEU 361 N -2.07 1.56 0.00 2.53 1.43 -0.95 -2.29 118.68 118.89 2nqx s LEU 361 Ca 0.19 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2nqx s LEU 361 Cb -0.11 -0.15 0.00 0.00 0.03 0.00 0.00 46.19 45.96 2nqx s LEU 361 CO 0.11 -0.04 0.00 -0.90 0.23 0.00 0.00 176.35 175.75 2nqx n ASP 362 N 3.60 -0.39 0.24 2.29 5.68 0.64 -4.29 116.55 124.32 2nqx n ASP 362 Ca -0.20 -0.26 0.12 0.00 -0.50 0.00 0.00 54.79 53.95 2nqx n ASP 362 Cb 0.55 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 41.03 2nqx n ASP 362 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2nqx h GLU 363 N 0.00 0.00 -0.68 0.11 5.08 -1.98 -2.31 114.58 114.79 2nqx h GLU 363 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2nqx h GLU 363 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2nqx h GLU 363 CO 0.00 0.15 0.03 0.09 -1.00 0.00 0.00 179.01 178.28 2nqx n ASN 364 N -3.27 4.82 -1.20 1.42 5.03 -1.26 -4.87 115.26 115.93 2nqx n ASN 364 Ca 0.01 -2.80 -0.13 0.00 0.87 0.00 0.00 54.58 52.53 2nqx n ASN 364 Cb 0.40 -0.66 -0.06 0.00 -1.02 0.00 0.00 39.78 38.45 2nqx n ASN 364 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2nqx n TYR 365 N 0.43 -0.20 -2.72 3.10 4.01 -0.87 -4.96 117.16 115.96 2nqx n TYR 365 Ca 0.24 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.67 2nqx n TYR 365 Cb 1.06 -2.67 -0.04 0.00 -0.31 0.00 0.00 39.34 37.37 2nqx n TYR 365 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2nqx s GLN 366 N -3.02 3.94 0.13 -0.72 -1.52 -1.26 -4.74 119.66 112.47 2nqx s GLN 366 Ca 0.00 0.77 -0.35 0.00 -1.95 0.00 0.00 55.36 53.84 2nqx s GLN 366 Cb 0.00 -2.27 -0.16 0.00 -0.22 0.00 0.00 33.01 30.36 2nqx s GLN 366 CO 0.00 -0.09 1.24 -2.30 -0.25 0.00 0.00 175.29 173.89 2nqx n PRO 367 N -1.17 1.14 -2.94 2.91 -0.02 -1.26 -0.26 135.00 133.39 2nqx n PRO 367 Ca 0.05 0.41 -0.44 0.00 -2.02 0.00 0.00 63.50 61.50 2nqx n PRO 367 Cb 0.54 -1.97 -0.01 0.00 -0.02 0.00 0.00 33.50 32.04 2nqx n PRO 367 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 2nqx s TRP 368 N 0.12 3.32 0.00 6.00 -0.00 -0.97 -4.54 118.94 122.87 2nqx s TRP 368 Ca 0.78 -1.78 0.00 0.00 -0.00 0.00 0.00 56.10 55.11 2nqx s TRP 368 Cb -0.90 -4.29 0.00 0.00 -0.00 0.00 0.00 33.47 28.27 2nqx s TRP 368 CO 0.50 -1.44 0.00 0.41 -0.00 0.00 0.00 176.95 176.42 2nqx n GLY 369 N 4.78 -1.81 0.17 5.86 0.00 -1.26 -4.06 105.19 108.87 2nqx n GLY 369 Ca 0.30 -1.83 -0.16 0.00 0.00 0.00 0.00 46.02 44.33 2nqx n GLY 369 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nqx h PRO 370 N 0.00 0.54 -1.85 1.61 0.13 -2.03 -3.33 132.00 127.07 2nqx h PRO 370 Ca 0.00 -0.58 -0.67 0.00 -0.87 0.00 0.00 66.00 63.88 2nqx h PRO 370 Cb 0.00 0.16 -0.35 0.00 0.13 0.00 0.00 31.00 30.94 2nqx h PRO 370 CO 0.00 1.20 0.08 0.39 -0.23 0.00 0.00 178.00 179.45 2nqx n GLU 371 N -3.79 3.36 0.08 0.86 1.02 -1.26 -4.80 120.64 116.10 2nqx n GLU 371 Ca -0.08 -4.22 -0.02 0.00 -0.02 0.00 0.00 57.16 52.82 2nqx n GLU 371 Cb 0.85 -2.28 0.24 0.00 -0.02 0.00 0.00 31.44 30.24 2nqx n GLU 371 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2nqx h ALA 372 N 2.93 1.16 -3.02 0.62 0.00 -1.70 -3.41 119.26 115.84 2nqx h ALA 372 Ca 0.40 -0.37 -0.66 0.00 0.00 0.00 0.00 54.91 54.28 2nqx h ALA 372 Cb 0.50 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 17.92 2nqx h ALA 372 CO 1.09 0.55 -0.67 -2.00 0.00 0.00 0.00 179.25 178.22 2nqx s GLU 373 N -4.31 3.28 0.12 0.00 2.12 -1.26 -1.12 118.70 117.53 2nqx s GLU 373 Ca -0.05 -0.71 0.09 0.00 0.36 0.00 0.00 54.97 54.65 2nqx s GLU 373 Cb 0.14 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 2nqx s GLU 373 CO 0.77 -0.30 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.51 2nqx s LEU 374 N 1.50 2.74 0.18 2.70 1.43 -0.20 -4.93 118.68 122.10 2nqx s LEU 374 Ca 0.04 -0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 2nqx s LEU 374 Cb -0.16 -1.58 -0.09 0.00 0.03 0.00 0.00 46.19 44.40 2nqx s LEU 374 CO 0.00 0.18 1.33 -2.84 0.23 0.00 0.00 176.35 175.25 2nqx s PRO 375 N -2.16 4.37 0.30 1.29 0.02 -1.26 -0.26 135.00 137.29 2nqx s PRO 375 Ca 0.18 2.06 0.04 0.00 0.02 0.00 0.00 61.00 63.30 2nqx s PRO 375 Cb -0.11 -3.21 0.76 0.00 0.02 0.00 0.00 34.50 31.97 2nqx s PRO 375 CO 0.11 -0.30 1.64 1.25 -0.33 0.00 0.00 177.00 179.37 2nqx h LEU 376 N 5.70 0.01 -1.80 -5.54 6.46 -1.22 -1.49 115.31 117.43 2nqx h LEU 376 Ca -0.44 0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 2nqx h LEU 376 Cb 1.21 0.27 0.00 0.00 -0.73 0.00 0.00 40.66 41.42 2nqx h LEU 376 CO 0.79 -0.18 0.00 1.12 -0.62 0.00 0.00 178.44 179.55 2nqx h HIS 377 N 0.19 0.00 -0.20 1.25 2.07 -1.83 -0.31 115.15 116.33 2nqx h HIS 377 Ca 0.58 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.10 2nqx h HIS 377 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 2nqx h HIS 377 CO -0.26 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 174.85 2nqx n THR 378 N -2.69 0.26 0.23 6.12 -2.24 -0.56 -4.04 114.28 111.36 2nqx n THR 378 Ca -0.01 -0.32 0.02 0.00 -2.27 0.00 0.00 64.05 61.48 2nqx n THR 378 Cb 0.14 0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 2nqx n THR 378 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2nqx n LEU 379 N 0.18 0.69 -4.69 3.22 4.77 -0.13 -4.80 117.00 116.24 2nqx n LEU 379 Ca 0.12 -0.69 -0.42 0.00 -0.03 0.00 0.00 56.01 55.00 2nqx n LEU 379 Cb 0.25 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2nqx n LEU 379 CO 0.09 0.15 1.25 -0.36 -1.33 0.00 0.00 177.39 177.19 2nqx s PHE 380 N -1.09 2.59 -1.60 -1.77 0.08 -1.25 -2.33 117.98 112.61 2nqx s PHE 380 Ca 0.04 0.52 -0.03 0.00 0.12 0.00 0.00 56.93 57.57 2nqx s PHE 380 Cb 0.04 -3.84 0.01 0.00 -0.57 0.00 0.00 43.02 38.65 2nqx s PHE 380 CO 0.15 -3.30 0.40 1.19 -0.10 0.00 0.00 175.22 173.56 2nqx n PHE 381 N 5.51 -1.66 -3.71 0.36 3.72 -0.84 -4.91 117.46 115.92 2nqx n PHE 381 Ca 0.15 0.35 -0.38 0.00 -0.05 0.00 0.00 57.45 57.51 2nqx n PHE 381 Cb 0.42 -4.22 -0.11 0.00 -0.94 0.00 0.00 39.48 34.62 2nqx n PHE 381 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2nqx s ASN 382 N -2.49 5.40 -0.13 4.37 3.84 -0.99 -4.11 114.94 120.83 2nqx s ASN 382 Ca 0.21 -1.45 0.15 0.00 0.21 0.00 0.00 52.86 51.98 2nqx s ASN 382 Cb -0.09 -1.89 -0.21 0.00 -0.55 0.00 0.00 41.25 38.50 2nqx s ASN 382 CO 0.26 -0.44 0.13 0.35 -2.79 0.00 0.00 177.10 174.61 2nqx n THR 383 N 4.80 0.84 0.30 -5.21 -2.24 -1.26 -4.35 114.28 107.16 2nqx n THR 383 Ca -0.10 -0.61 0.17 0.00 -2.27 0.00 0.00 64.05 61.24 2nqx n THR 383 Cb 0.43 -0.42 0.94 0.00 -2.10 0.00 0.00 70.33 69.18 2nqx n THR 383 CO 0.00 0.00 0.00 4.11 -0.57 0.00 0.00 175.07 178.61 2nqx h TRP 384 N 0.00 0.00 -0.15 4.78 5.08 -1.88 -0.40 115.95 123.38 2nqx h TRP 384 Ca -0.33 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.53 2nqx h TRP 384 Cb 1.71 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.86 2nqx h TRP 384 CO 0.00 0.03 -0.39 0.00 -1.28 0.00 0.00 178.44 176.81 2nqx h ARG 385 N 0.00 0.33 0.20 0.12 2.47 -1.94 -0.91 114.38 114.64 2nqx h ARG 385 Ca -0.00 -0.15 -0.01 0.00 -1.26 0.00 0.00 59.98 58.56 2nqx h ARG 385 Cb 0.12 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 2nqx h ARG 385 CO 0.00 0.67 -0.10 0.82 0.56 0.00 0.00 179.97 181.93 2nqx h ILE 386 N 0.28 0.00 -0.08 2.04 2.04 -1.36 -3.13 117.51 117.30 2nqx h ILE 386 Ca 0.03 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2nqx h ILE 386 Cb 0.81 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2nqx h ILE 386 CO 0.06 0.00 0.05 0.40 0.00 0.00 0.00 178.15 178.66 2nqx h ILE 387 N -0.63 1.01 -0.48 -0.67 5.03 -1.56 -1.98 117.51 118.24 2nqx h ILE 387 Ca -0.03 -0.03 0.00 0.00 -0.12 0.00 0.00 64.86 64.68 2nqx h ILE 387 Cb 0.20 0.90 0.00 0.00 -3.03 0.00 0.00 36.82 34.89 2nqx h ILE 387 CO 0.04 0.02 0.00 1.17 -0.68 0.00 0.00 178.15 178.70 2nqx n LYS 388 N -5.04 2.34 -2.70 2.37 3.00 -0.35 -4.54 118.16 113.24 2nqx n LYS 388 Ca -0.05 -2.05 -0.06 0.00 -0.00 0.00 0.00 58.31 56.14 2nqx n LYS 388 Cb 0.03 -1.47 0.09 0.00 0.00 0.00 0.00 35.03 33.68 2nqx n LYS 388 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2nqx n ASP 389 N 1.20 -0.57 0.00 3.14 2.03 -1.18 -4.98 116.55 116.19 2nqx n ASP 389 Ca 0.19 -2.46 0.00 0.00 0.52 0.00 0.00 54.79 53.04 2nqx n ASP 389 Cb 0.51 0.39 0.00 0.00 -0.72 0.00 0.00 41.12 41.30 2nqx n ASP 389 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2nqx n GLY 390 N -0.58 0.98 4.87 0.27 0.00 -1.23 -4.79 105.19 104.71 2nqx n GLY 390 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2nqx n GLY 390 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nqx n GLY 391 N -0.51 -1.39 0.00 -0.02 0.00 -0.75 -4.56 105.19 97.97 2nqx n GLY 391 Ca 0.00 -1.49 0.06 0.00 0.00 0.00 0.00 46.02 44.60 2nqx n GLY 391 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2nqx n ILE 392 N 0.00 0.00 -0.13 -0.61 -5.35 -1.26 -4.63 119.36 107.38 2nqx n ILE 392 Ca 0.00 -0.24 -0.07 0.00 -0.27 0.00 0.00 62.75 62.17 2nqx n ILE 392 Cb 0.00 0.64 0.02 0.00 -1.74 0.00 0.00 39.64 38.56 2nqx n ILE 392 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2nqx h ASP 393 N 0.00 0.38 -0.03 7.28 5.19 -1.98 0.27 116.42 127.53 2nqx h ASP 393 Ca 0.00 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.38 2nqx h ASP 393 Cb 0.45 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 2nqx h ASP 393 CO 0.00 0.27 -0.08 -0.65 -3.12 0.00 0.00 179.24 175.66 2nqx h PRO 394 N 0.48 0.26 -0.16 3.56 0.11 -1.81 -1.05 132.00 133.41 2nqx h PRO 394 Ca 0.17 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 66.04 2nqx h PRO 394 Cb 0.03 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 2nqx h PRO 394 CO -0.09 0.36 -0.67 -0.07 -0.21 0.00 0.00 178.00 177.32 2nqx h LEU 395 N 0.25 0.71 -0.82 2.35 3.38 -1.63 -2.47 115.31 117.08 2nqx h LEU 395 Ca 0.06 -0.43 -0.12 0.00 0.09 0.00 0.00 57.88 57.48 2nqx h LEU 395 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2nqx h LEU 395 CO 0.01 1.18 -0.48 0.58 0.09 0.00 0.00 178.44 179.83 2nqx h VAL 396 N 0.44 1.34 -0.56 1.22 2.07 -0.01 -2.03 116.25 118.72 2nqx h VAL 396 Ca -0.02 -1.69 -0.10 0.00 0.82 0.00 0.00 66.70 65.71 2nqx h VAL 396 Cb 1.25 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 2nqx h VAL 396 CO 0.13 0.50 -0.05 0.03 0.02 0.00 0.00 177.57 178.20 2nqx h ARG 397 N 0.21 1.01 -0.17 1.57 3.08 -1.23 -2.77 114.38 116.07 2nqx h ARG 397 Ca 0.01 -0.34 0.04 0.00 0.07 0.00 0.00 59.98 59.76 2nqx h ARG 397 Cb 0.93 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.86 2nqx h ARG 397 CO 0.08 1.02 -0.07 0.78 -1.07 0.00 0.00 179.97 180.71 2nqx h GLY 398 N 0.97 0.09 0.39 0.04 0.00 -1.26 0.50 103.07 103.80 2nqx h GLY 398 Ca 0.16 0.08 0.22 0.00 0.00 0.00 0.00 47.33 47.78 2nqx h GLY 398 CO 0.04 -0.09 0.58 1.41 0.00 0.00 0.00 176.54 178.48 2nqx h LEU 399 N -0.04 0.17 0.00 3.11 3.38 -1.18 -0.60 115.31 120.16 2nqx h LEU 399 Ca 0.09 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 2nqx h LEU 399 Cb 0.17 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2nqx h LEU 399 CO -0.20 0.07 -0.76 -0.07 0.09 0.00 0.00 178.44 177.57 2nqx h LEU 400 N 0.18 0.00 0.00 1.67 3.38 -1.01 -2.15 115.31 117.38 2nqx h LEU 400 Ca 0.41 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2nqx h LEU 400 Cb 1.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 2nqx h LEU 400 CO -0.08 1.22 -0.27 0.00 0.09 0.00 0.00 178.44 179.40 2nqx h ALA 401 N -0.45 0.86 -1.67 1.53 0.00 -0.81 -3.41 119.26 115.31 2nqx h ALA 401 Ca -0.20 -0.12 -0.44 0.00 0.00 0.00 0.00 54.91 54.15 2nqx h ALA 401 Cb 1.05 -0.01 0.05 0.00 0.00 0.00 0.00 17.79 18.88 2nqx h ALA 401 CO -0.12 0.16 -0.05 0.15 0.00 0.00 0.00 179.25 179.38 2nqx s LYS 402 N -3.17 2.47 0.26 0.00 -0.14 -0.25 -4.78 119.74 114.13 2nqx s LYS 402 Ca 0.05 -0.93 0.08 0.00 -1.36 0.00 0.00 55.97 53.81 2nqx s LYS 402 Cb 0.06 -2.52 -0.04 0.00 -1.68 0.00 0.00 37.83 33.66 2nqx s LYS 402 CO 0.70 -0.74 0.11 0.15 -0.76 0.00 0.00 175.35 174.82 2nqx s LYS 403 N -4.74 2.67 0.86 1.68 1.02 -1.26 -0.97 119.74 119.00 2nqx s LYS 403 Ca 0.58 -1.20 -0.13 0.00 0.02 0.00 0.00 55.97 55.24 2nqx s LYS 403 Cb -0.10 -2.40 0.12 0.00 -0.52 0.00 0.00 37.83 34.94 2nqx s LYS 403 CO 0.38 0.39 1.23 -1.12 -0.92 0.00 0.00 175.35 175.31 2nqx s SER 404 N -3.77 4.01 -0.18 2.83 0.01 0.26 -4.08 113.70 112.79 2nqx s SER 404 Ca 0.32 0.60 -0.17 0.00 1.31 0.00 0.00 55.95 58.01 2nqx s SER 404 Cb -0.07 -0.93 -0.04 0.00 0.21 0.00 0.00 66.02 65.19 2nqx s SER 404 CO 0.23 -2.20 0.44 -0.75 0.41 0.00 0.00 173.24 171.37 2nqx s LYS 405 N -5.69 4.22 0.03 12.44 2.20 0.10 -0.28 119.74 132.76 2nqx s LYS 405 Ca 0.66 0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 56.27 2nqx s LYS 405 Cb -0.08 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.68 2nqx s LYS 405 CO 0.50 -0.00 1.16 -1.17 -0.36 0.00 0.00 175.35 175.48 2nqx s LEU 406 N 1.17 4.35 0.27 5.43 2.96 -0.58 -4.09 118.68 128.20 2nqx s LEU 406 Ca 0.22 1.91 -0.31 0.00 -0.22 0.00 0.00 54.13 55.73 2nqx s LEU 406 Cb -0.15 -3.57 -0.12 0.00 0.50 0.00 0.00 46.19 42.85 2nqx s LEU 406 CO 0.09 -0.45 1.56 0.80 -1.32 0.00 0.00 176.35 177.02 2nqx n MET 407 N 4.16 2.53 -3.68 1.98 0.00 -1.26 -4.86 117.12 116.00 2nqx n MET 407 Ca 0.09 0.90 -0.16 0.00 -0.00 0.00 0.00 57.70 58.53 2nqx n MET 407 Cb 0.47 -2.66 -0.15 0.00 0.00 0.00 0.00 33.22 30.88 2nqx n MET 407 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 2nqx s ASN 408 N 0.51 0.59 0.42 6.12 3.84 -1.24 -5.03 114.94 120.15 2nqx s ASN 408 Ca 0.66 0.37 0.20 0.00 0.21 0.00 0.00 52.86 54.30 2nqx s ASN 408 Cb -0.54 0.32 1.15 0.00 -0.55 0.00 0.00 41.25 41.63 2nqx s ASN 408 CO 0.47 -0.23 1.80 1.56 -2.79 0.00 0.00 177.10 177.91 2nqx h GLN 409 N 8.22 0.34 0.00 0.43 4.20 -1.93 0.28 115.11 126.66 2nqx h GLN 409 Ca -0.17 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.37 2nqx h GLN 409 Cb 1.12 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 2nqx h GLN 409 CO 0.17 0.23 -0.91 -0.44 -0.67 0.00 0.00 178.83 177.21 2nqx h ASP 410 N 0.35 0.00 -2.62 1.46 3.32 -1.96 -3.42 116.42 113.56 2nqx h ASP 410 Ca 0.55 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 57.00 2nqx h ASP 410 Cb 1.48 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.64 2nqx h ASP 410 CO -0.23 0.62 -0.83 -0.54 -1.72 0.00 0.00 179.24 176.54 2nqx s LYS 411 N -2.90 1.46 0.00 3.56 1.02 0.97 -4.76 119.74 119.09 2nqx s LYS 411 Ca 0.01 -2.55 0.00 0.00 0.02 0.00 0.00 55.97 53.45 2nqx s LYS 411 Cb 0.08 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 2nqx s LYS 411 CO 0.78 -1.35 0.01 -1.33 -0.92 0.00 0.00 175.35 172.54 2nqx n MET 412 N 2.53 0.00 -4.75 1.68 2.81 -1.05 -3.65 117.12 114.69 2nqx n MET 412 Ca 0.26 0.48 -0.33 0.00 -1.81 0.00 0.00 57.70 56.30 2nqx n MET 412 Cb 0.43 -0.98 -0.14 0.00 -0.71 0.00 0.00 33.22 31.82 2nqx n MET 412 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2nqx s VAL 413 N -0.97 2.99 0.73 2.03 1.01 -1.10 -4.48 120.40 120.62 2nqx s VAL 413 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 2nqx s VAL 413 Cb 0.00 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 34.15 2nqx s VAL 413 CO 0.00 0.52 1.18 1.07 0.00 0.00 0.00 175.10 177.87 2nqx n THR 414 N 3.60 3.33 0.32 3.92 5.66 -1.26 -4.57 114.28 125.28 2nqx n THR 414 Ca -0.18 -0.36 0.16 0.00 -3.05 0.00 0.00 64.05 60.62 2nqx n THR 414 Cb 0.53 -1.28 0.62 0.00 -1.55 0.00 0.00 70.33 68.65 2nqx n THR 414 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2nqx h SER 415 N -0.21 0.00 0.43 1.09 0.02 -1.94 -0.04 113.55 112.90 2nqx h SER 415 Ca -0.48 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.41 2nqx h SER 415 Cb 1.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.86 2nqx h SER 415 CO 0.49 0.00 -0.26 -0.33 -1.14 0.00 0.00 176.83 175.59 2nqx h GLU 416 N 0.00 0.00 0.00 3.45 4.39 -1.92 -0.47 114.58 120.04 2nqx h GLU 416 Ca 0.00 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.31 2nqx h GLU 416 Cb 0.46 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.04 2nqx h GLU 416 CO 0.00 0.26 -2.45 1.28 -1.16 0.00 0.00 179.01 176.93 2nqx n LEU 417 N -3.87 2.40 0.15 1.33 4.77 -0.81 -3.57 117.00 117.40 2nqx n LEU 417 Ca -0.02 -0.11 0.01 0.00 -0.03 0.00 0.00 56.01 55.87 2nqx n LEU 417 Cb 0.34 -0.64 0.19 0.00 -2.33 0.00 0.00 43.42 40.98 2nqx n LEU 417 CO 0.35 0.85 0.52 -0.09 -1.33 0.00 0.00 177.39 177.69 2nqx h ARG 418 N 0.00 0.00 0.00 3.23 2.43 -1.00 -2.64 114.38 116.40 2nqx h ARG 418 Ca -0.57 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.56 2nqx h ARG 418 Cb 1.97 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.51 2nqx h ARG 418 CO -0.06 0.56 -1.15 0.09 -1.51 0.00 0.00 179.97 177.91 2nqx n ASN 419 N -3.61 4.41 -2.14 -3.80 3.02 -0.19 -3.90 115.26 109.05 2nqx n ASN 419 Ca -0.00 -0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.32 2nqx n ASN 419 Cb 0.62 0.49 0.02 0.00 -0.61 0.00 0.00 39.78 40.30 2nqx n ASN 419 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2nqx n LYS 420 N -2.13 3.45 -2.73 3.52 5.02 -1.17 -3.38 118.16 120.73 2nqx n LYS 420 Ca -0.04 -4.16 -0.42 0.00 -2.02 0.00 0.00 58.31 51.68 2nqx n LYS 420 Cb 0.57 -2.22 -0.04 0.00 -0.02 0.00 0.00 35.03 33.32 2nqx n LYS 420 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2nqx s LEU 421 N -3.60 4.41 -0.13 -0.35 2.96 -0.95 -4.54 118.68 116.47 2nqx s LEU 421 Ca 0.49 1.68 -0.18 0.00 -0.22 0.00 0.00 54.13 55.89 2nqx s LEU 421 Cb 0.40 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.50 2nqx s LEU 421 CO 0.01 -0.19 0.49 0.12 -1.32 0.00 0.00 176.35 175.46 2nqx s PHE 422 N 0.67 3.49 -0.21 5.38 5.36 -1.26 -0.86 117.98 130.55 2nqx s PHE 422 Ca 0.50 0.88 -0.07 0.00 -0.96 0.00 0.00 56.93 57.28 2nqx s PHE 422 Cb -0.22 -2.58 -0.03 0.00 -0.34 0.00 0.00 43.02 39.85 2nqx s PHE 422 CO 0.28 0.12 0.06 -0.65 -1.46 0.00 0.00 175.22 173.57 2nqx s GLN 423 N 0.80 3.81 0.55 10.12 -1.52 -1.26 -4.98 119.66 127.19 2nqx s GLN 423 Ca 0.26 -0.42 0.32 0.00 -1.95 0.00 0.00 55.36 53.57 2nqx s GLN 423 Cb -0.15 -3.23 1.47 0.00 -0.22 0.00 0.00 33.01 30.88 2nqx s GLN 423 CO 0.10 0.08 1.85 -1.00 -0.25 0.00 0.00 175.29 176.08 2nqx h PRO 424 N 7.34 0.00 0.02 2.91 0.13 -1.98 0.11 132.00 140.53 2nqx h PRO 424 Ca -0.36 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.56 2nqx h PRO 424 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2nqx h PRO 424 CO 0.64 0.00 -0.94 1.15 -0.23 0.00 0.00 178.00 178.62 2nqx h THR 425 N 0.00 1.59 -4.97 1.56 2.02 -2.02 -3.44 112.91 107.66 2nqx h THR 425 Ca 0.40 -2.98 -0.31 0.00 0.77 0.00 0.00 66.41 64.30 2nqx h THR 425 Cb 1.73 2.65 -0.03 0.00 -1.74 0.00 0.00 68.15 70.77 2nqx h THR 425 CO -0.00 0.86 -0.15 1.41 0.37 0.00 0.00 175.52 178.00 2nqx n HIS 426 N -3.52 -0.98 0.37 3.16 8.25 0.38 -5.08 115.22 117.79 2nqx n HIS 426 Ca -0.02 -1.24 0.04 0.00 -0.26 0.00 0.00 57.72 56.24 2nqx n HIS 426 Cb 0.87 -0.24 0.01 0.00 1.12 0.00 0.00 29.99 31.75 2nqx n HIS 426 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2nqx n LYS 427 N -1.17 1.69 -4.39 -0.41 5.02 -1.26 -4.72 118.16 112.91 2nqx n LYS 427 Ca -0.01 -0.67 -0.29 0.00 -2.02 0.00 0.00 58.31 55.32 2nqx n LYS 427 Cb 0.33 -1.06 -0.13 0.00 -0.02 0.00 0.00 35.03 34.15 2nqx n LYS 427 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2nqx s ILE 428 N -1.08 2.31 -1.25 -0.18 -4.36 -1.26 -5.04 121.20 110.34 2nqx s ILE 428 Ca 0.08 -1.76 -0.05 0.00 -0.26 0.00 0.00 60.65 58.65 2nqx s ILE 428 Cb 0.07 -2.03 0.12 0.00 1.25 0.00 0.00 42.46 41.86 2nqx s ILE 428 CO 0.18 0.08 2.41 1.41 0.24 0.00 0.00 174.94 179.26 2nqx n HIS 429 N 0.85 2.52 -2.56 1.37 8.25 -1.26 -4.28 115.22 120.12 2nqx n HIS 429 Ca -0.17 -2.75 0.03 0.00 -0.26 0.00 0.00 57.72 54.56 2nqx n HIS 429 Cb 0.53 -1.80 0.03 0.00 1.12 0.00 0.00 29.99 29.88 2nqx n HIS 429 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nqx n GLY 430 N 1.64 1.38 3.96 -1.41 0.00 -1.12 -4.02 105.19 105.62 2nqx n GLY 430 Ca 0.61 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 2nqx n GLY 430 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nqx s PHE 431 N -1.11 3.18 -0.33 1.61 0.40 -0.04 -4.78 117.98 116.91 2nqx s PHE 431 Ca 0.33 0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.81 2nqx s PHE 431 Cb 0.37 -2.28 0.09 0.00 0.51 0.00 0.00 43.02 41.71 2nqx s PHE 431 CO -0.13 -0.33 0.04 0.34 0.70 0.00 0.00 175.22 175.84 2nqx s ASP 432 N -4.22 4.79 0.28 1.36 -1.08 -1.25 -2.24 116.67 114.31 2nqx s ASP 432 Ca 0.48 -1.90 0.03 0.00 -0.52 0.00 0.00 52.55 50.64 2nqx s ASP 432 Cb -0.10 -1.65 0.66 0.00 -1.46 0.00 0.00 42.92 40.37 2nqx s ASP 432 CO 0.37 -0.35 1.75 0.25 0.52 0.00 0.00 175.17 177.70 2nqx h LEU 433 N 7.74 0.58 -0.19 -1.34 5.85 -1.68 -0.82 115.31 125.46 2nqx h LEU 433 Ca -0.10 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2nqx h LEU 433 Cb 1.03 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2nqx h LEU 433 CO 0.54 0.19 0.11 0.00 -0.34 0.00 0.00 178.44 178.94 2nqx h ALA 434 N 1.63 0.25 0.06 1.25 0.00 -1.88 0.12 119.26 120.68 2nqx h ALA 434 Ca 0.53 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 2nqx h ALA 434 Cb 0.84 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2nqx h ALA 434 CO -0.41 -0.24 -0.03 0.00 0.00 0.00 0.00 179.25 178.58 2nqx h ALA 435 N 1.02 -0.08 -0.18 0.00 0.00 -1.68 -1.56 119.26 116.78 2nqx h ALA 435 Ca 0.07 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2nqx h ALA 435 Cb 0.03 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2nqx h ALA 435 CO -0.01 -0.52 -0.23 0.82 0.00 0.00 0.00 179.25 179.30 2nqx h ILE 436 N -0.11 0.43 -0.44 0.00 1.08 -0.99 0.55 117.51 118.02 2nqx h ILE 436 Ca -0.01 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 2nqx h ILE 436 Cb 0.09 0.43 -0.07 0.00 -3.07 0.00 0.00 36.82 34.20 2nqx h ILE 436 CO 0.01 0.00 -0.01 0.78 -0.69 0.00 0.00 178.15 178.25 2nqx h ASN 437 N -0.27 -0.20 -0.44 1.72 2.35 -0.65 0.54 115.58 118.63 2nqx h ASN 437 Ca 0.12 0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.89 2nqx h ASN 437 Cb 0.44 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 2nqx h ASN 437 CO -0.33 -0.06 -0.04 -0.07 -1.65 0.00 0.00 177.43 175.28 2nqx h LEU 438 N 0.10 0.80 -1.17 1.61 3.38 -0.57 -1.85 115.31 117.61 2nqx h LEU 438 Ca 0.22 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2nqx h LEU 438 Cb 0.32 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2nqx h LEU 438 CO -0.37 0.94 0.06 -0.61 0.09 0.00 0.00 178.44 178.54 2nqx h GLN 439 N 0.64 0.63 -0.15 1.13 5.75 0.61 -2.99 115.11 120.75 2nqx h GLN 439 Ca 0.12 -0.13 -0.15 0.00 -0.15 0.00 0.00 58.65 58.35 2nqx h GLN 439 Cb 0.55 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.00 2nqx h GLN 439 CO 0.03 0.61 -0.53 -0.09 -2.65 0.00 0.00 178.83 176.20 2nqx h ARG 440 N 0.61 0.42 -0.77 1.69 9.65 0.45 -0.45 114.38 125.98 2nqx h ARG 440 Ca 0.13 -0.26 0.10 0.00 -1.10 0.00 0.00 59.98 58.86 2nqx h ARG 440 Cb 0.30 0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.83 2nqx h ARG 440 CO 0.00 0.85 0.41 0.00 2.80 0.00 0.00 179.97 184.04 2nqx h ARG 442 N 0.68 0.27 -0.75 0.00 3.08 -1.43 -1.76 114.38 114.46 2nqx h ARG 442 Ca 0.38 -0.33 0.01 0.00 0.07 0.00 0.00 59.98 60.12 2nqx h ARG 442 Cb 0.40 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 2nqx h ARG 442 CO -0.27 1.06 0.49 0.22 -1.07 0.00 0.00 179.97 180.41 2nqx h ASP 443 N 0.13 0.85 0.43 7.04 3.58 -0.40 -2.76 116.42 125.30 2nqx h ASP 443 Ca -0.07 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2nqx h ASP 443 Cb 1.65 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.49 2nqx h ASP 443 CO 0.16 0.61 -0.15 1.41 -2.88 0.00 0.00 179.24 178.39 2nqx n HIS 444 N -4.57 0.00 -2.54 0.28 8.25 0.40 -4.81 115.22 112.23 2nqx n HIS 444 Ca 0.07 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.47 2nqx n HIS 444 Cb 0.03 -0.22 0.01 0.00 1.12 0.00 0.00 29.99 30.93 2nqx n HIS 444 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nqx n GLY 445 N 1.33 0.39 3.72 -1.41 0.00 -0.81 -4.85 105.19 103.56 2nqx n GLY 445 Ca 0.13 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 2nqx n GLY 445 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nqx s MET 446 N -4.95 4.28 0.90 1.61 -1.94 -0.73 -0.35 119.30 118.11 2nqx s MET 446 Ca 0.10 2.22 -0.10 0.00 -1.71 0.00 0.00 55.69 56.20 2nqx s MET 446 Cb -0.04 -3.19 0.14 0.00 2.01 0.00 0.00 34.83 33.75 2nqx s MET 446 CO 0.12 -0.48 1.15 -2.14 -0.01 0.00 0.00 175.02 173.65 2nqx s PRO 447 N 0.78 1.12 1.23 2.03 0.02 -1.26 -4.74 135.00 134.17 2nqx s PRO 447 Ca 0.65 1.53 -0.15 0.00 0.02 0.00 0.00 61.00 63.05 2nqx s PRO 447 Cb -0.40 -1.74 0.31 0.00 0.02 0.00 0.00 34.50 32.68 2nqx s PRO 447 CO 0.33 -2.56 1.01 0.20 -0.33 0.00 0.00 177.00 175.65 2nqx s GLY 448 N -2.70 1.51 0.19 0.52 0.00 -1.26 -4.59 107.32 100.98 2nqx s GLY 448 Ca 0.67 -0.37 -0.12 0.00 0.00 0.00 0.00 44.72 44.90 2nqx s GLY 448 CO 0.58 0.43 1.80 -1.82 0.00 0.00 0.00 173.10 174.09 2nqx h TYR 449 N -2.81 0.57 0.00 1.90 3.20 -1.42 -2.47 116.97 115.94 2nqx h TYR 449 Ca -0.57 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.28 2nqx h TYR 449 Cb 1.34 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 2nqx h TYR 449 CO -0.68 0.29 -0.18 -0.91 -1.64 0.00 0.00 178.16 175.04 2nqx h ASN 450 N 0.60 0.00 -0.58 -2.11 2.35 -1.80 -1.04 115.58 112.99 2nqx h ASN 450 Ca 0.24 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.90 2nqx h ASN 450 Cb 0.12 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2nqx h ASN 450 CO -0.15 0.18 -0.01 -1.28 -1.65 0.00 0.00 177.43 174.53 2nqx h SER 451 N 0.00 1.02 0.74 5.81 0.87 -1.77 -1.06 113.55 119.16 2nqx h SER 451 Ca -0.00 -0.31 -0.24 0.00 -1.23 0.00 0.00 61.79 60.01 2nqx h SER 451 Cb 0.57 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2nqx h SER 451 CO 0.02 1.08 -1.10 -0.50 -0.53 0.00 0.00 176.83 175.81 2nqx h TRP 452 N 0.93 0.30 -0.70 2.24 4.06 -1.29 -1.50 115.95 119.99 2nqx h TRP 452 Ca 0.16 -0.21 -0.03 0.00 2.06 0.00 0.00 58.89 60.87 2nqx h TRP 452 Cb 0.57 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.68 2nqx h TRP 452 CO 0.04 1.14 0.31 0.00 -3.56 0.00 0.00 178.44 176.36 2nqx h ARG 453 N 0.06 1.01 -0.05 0.49 2.47 -1.11 -1.89 114.38 115.36 2nqx h ARG 453 Ca -0.08 -0.15 -0.03 0.00 -1.26 0.00 0.00 59.98 58.46 2nqx h ARG 453 Cb 1.82 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 29.96 2nqx h ARG 453 CO 0.17 0.80 -0.07 0.78 0.56 0.00 0.00 179.97 182.21 2nqx h GLY 454 N 1.07 0.16 -0.25 0.04 0.00 -1.19 0.25 103.07 103.14 2nqx h GLY 454 Ca 0.24 -0.17 0.31 0.00 0.00 0.00 0.00 47.33 47.70 2nqx h GLY 454 CO -0.03 0.15 0.76 -2.75 0.00 0.00 0.00 176.54 174.68 2nqx h PHE 455 N -0.34 0.29 -0.44 5.60 3.57 -1.10 0.39 116.94 124.91 2nqx h PHE 455 Ca 0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2nqx h PHE 455 Cb 0.62 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2nqx h PHE 455 CO 0.10 0.02 0.00 0.00 -2.23 0.00 0.00 178.31 176.20 2nqx n GLY 457 N 1.50 -0.03 3.66 0.00 0.00 0.13 -5.03 105.19 105.42 2nqx n GLY 457 Ca 0.20 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 2nqx n GLY 457 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nqx s LEU 458 N -2.86 3.34 0.48 0.99 1.43 0.86 -5.02 118.68 117.90 2nqx s LEU 458 Ca 0.00 -0.29 -0.22 0.00 -1.03 0.00 0.00 54.13 52.59 2nqx s LEU 458 Cb 0.00 -2.06 -0.09 0.00 0.03 0.00 0.00 46.19 44.08 2nqx s LEU 458 CO 0.00 0.14 1.01 -1.54 0.23 0.00 0.00 176.35 176.19 2nqx n SER 459 N 0.35 1.18 -4.09 2.29 3.41 -1.26 -4.01 113.62 111.48 2nqx n SER 459 Ca -0.11 0.96 -0.35 0.00 -0.26 0.00 0.00 58.87 59.11 2nqx n SER 459 Cb 0.53 -1.37 -0.12 0.00 -0.26 0.00 0.00 64.21 62.98 2nqx n SER 459 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2nqx s GLN 460 N -2.26 1.94 0.23 4.33 -0.21 -1.26 -4.83 119.66 117.60 2nqx s GLN 460 Ca 0.67 -1.91 -0.30 0.00 0.02 0.00 0.00 55.36 53.83 2nqx s GLN 460 Cb -0.50 -3.51 -0.10 0.00 1.00 0.00 0.00 33.01 29.90 2nqx s GLN 460 CO 0.54 -1.06 1.39 -1.25 -2.12 0.00 0.00 175.29 172.80 2nqx s PRO 461 N 0.95 4.31 -0.09 2.91 0.04 -1.26 -4.92 135.00 136.94 2nqx s PRO 461 Ca 0.10 2.21 0.12 0.00 0.04 0.00 0.00 61.00 63.47 2nqx s PRO 461 Cb -0.22 -3.14 -0.17 0.00 0.04 0.00 0.00 34.50 31.01 2nqx s PRO 461 CO -0.05 -0.36 0.13 1.63 0.04 0.00 0.00 177.00 178.39 2nqx n LYS 462 N 2.44 1.45 -3.92 4.56 4.76 -1.26 -4.57 118.16 121.61 2nqx n LYS 462 Ca 0.06 -0.04 -0.23 0.00 -2.87 0.00 0.00 58.31 55.23 2nqx n LYS 462 Cb 0.41 -1.32 -0.06 0.00 -1.84 0.00 0.00 35.03 32.23 2nqx n LYS 462 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2nqx s THR 463 N -2.51 2.65 0.17 -0.18 -4.23 -1.26 -4.62 115.64 105.66 2nqx s THR 463 Ca -0.06 -1.57 -0.13 0.00 -1.18 0.00 0.00 61.69 58.76 2nqx s THR 463 Cb 0.05 -3.00 0.07 0.00 1.34 0.00 0.00 72.50 70.96 2nqx s THR 463 CO 0.53 -0.05 1.75 0.25 -0.54 0.00 0.00 174.62 176.55 2nqx h LEU 464 N 1.32 0.76 -0.86 4.79 6.46 -1.97 -0.87 115.31 124.94 2nqx h LEU 464 Ca -0.43 -0.14 -0.06 0.00 -0.12 0.00 0.00 57.88 57.13 2nqx h LEU 464 Cb 1.26 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.96 2nqx h LEU 464 CO 0.64 0.69 0.14 0.50 -0.62 0.00 0.00 178.44 179.79 2nqx h LYS 465 N 0.78 0.98 0.05 1.25 1.63 -1.99 -0.22 116.57 119.05 2nqx h LYS 465 Ca 0.20 -0.23 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2nqx h LYS 465 Cb 0.14 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2nqx h LYS 465 CO -0.02 0.88 -0.02 0.78 -3.45 0.00 0.00 179.45 177.62 2nqx h GLY 466 N 1.04 -0.07 1.33 5.01 0.00 -1.88 -2.46 103.07 106.04 2nqx h GLY 466 Ca 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 2nqx h GLY 466 CO 0.00 -0.02 0.34 -2.00 0.00 0.00 0.00 176.54 174.85 2nqx h LEU 467 N -0.15 0.79 -0.61 3.11 5.85 -0.75 -1.75 115.31 121.79 2nqx h LEU 467 Ca -0.01 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2nqx h LEU 467 Cb 0.13 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2nqx h LEU 467 CO 0.01 0.65 0.27 1.56 -0.34 0.00 0.00 178.44 180.59 2nqx h GLN 468 N 0.89 0.90 -0.32 1.25 4.20 -0.96 -0.73 115.11 120.35 2nqx h GLN 468 Ca 0.23 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 2nqx h GLN 468 Cb 0.04 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2nqx h GLN 468 CO -0.03 0.75 0.12 1.15 -0.67 0.00 0.00 178.83 180.15 2nqx h THR 469 N 0.85 1.19 -0.39 -0.54 2.02 -0.91 1.17 112.91 116.30 2nqx h THR 469 Ca 0.21 -0.58 -0.15 0.00 0.77 0.00 0.00 66.41 66.66 2nqx h THR 469 Cb 0.17 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2nqx h THR 469 CO -0.02 0.20 -0.36 0.58 0.37 0.00 0.00 175.52 176.29 2nqx h VAL 470 N 0.37 1.27 0.00 3.16 2.07 -1.24 -3.07 116.25 118.80 2nqx h VAL 470 Ca 0.11 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.09 2nqx h VAL 470 Cb 0.19 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2nqx h VAL 470 CO -0.01 0.51 -0.45 0.18 0.02 0.00 0.00 177.57 177.82 2nqx n LEU 471 N -4.06 0.56 -3.87 2.57 4.32 -0.29 -4.60 117.00 111.63 2nqx n LEU 471 Ca -0.02 0.22 -0.26 0.00 -0.02 0.00 0.00 56.01 55.93 2nqx n LEU 471 Cb 0.53 -0.25 -0.00 0.00 -1.62 0.00 0.00 43.42 42.07 2nqx n LEU 471 CO 0.48 -0.01 -0.18 0.29 -1.22 0.00 0.00 177.39 176.75 2nqx n LYS 472 N -1.87 -3.08 -3.32 3.23 5.02 0.40 -4.42 118.16 114.12 2nqx n LYS 472 Ca 0.05 0.44 0.03 0.00 -2.02 0.00 0.00 58.31 56.80 2nqx n LYS 472 Cb 0.39 -4.51 -0.03 0.00 -0.02 0.00 0.00 35.03 30.87 2nqx n LYS 472 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2nqx s ASN 473 N -4.20 -0.86 0.01 4.39 3.84 -0.86 -5.03 114.94 112.23 2nqx s ASN 473 Ca 0.09 0.84 -0.22 0.00 0.21 0.00 0.00 52.86 53.78 2nqx s ASN 473 Cb -0.03 1.84 -0.17 0.00 -0.55 0.00 0.00 41.25 42.34 2nqx s ASN 473 CO 0.87 -0.16 1.30 0.11 -2.79 0.00 0.00 177.10 176.43 2nqx h LYS 474 N 7.84 0.23 0.82 0.43 1.57 -1.93 -3.04 116.57 122.49 2nqx h LYS 474 Ca -0.17 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.44 2nqx h LYS 474 Cb 1.14 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.46 2nqx h LYS 474 CO 0.09 0.68 -0.39 0.82 -0.57 0.00 0.00 179.45 180.07 2nqx h ILE 475 N -0.20 0.07 -0.23 1.86 1.08 -1.99 -2.13 117.51 115.97 2nqx h ILE 475 Ca 0.01 -0.15 0.04 0.00 -0.39 0.00 0.00 64.86 64.37 2nqx h ILE 475 Cb 0.64 0.08 -0.07 0.00 -3.07 0.00 0.00 36.82 34.40 2nqx h ILE 475 CO 0.03 0.01 -0.50 0.25 -0.69 0.00 0.00 178.15 177.24 2nqx h LEU 476 N -1.25 -1.62 -1.33 1.44 5.85 -1.96 -0.97 115.31 115.47 2nqx h LEU 476 Ca -0.11 0.21 0.24 0.00 0.84 0.00 0.00 57.88 59.05 2nqx h LEU 476 Cb 0.85 0.65 -0.09 0.00 0.37 0.00 0.00 40.66 42.45 2nqx h LEU 476 CO 0.19 -0.44 0.64 0.00 -0.34 0.00 0.00 178.44 178.48 2nqx h ALA 477 N -0.05 2.12 -0.43 1.25 0.00 -1.55 -0.76 119.26 119.85 2nqx h ALA 477 Ca 0.07 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2nqx h ALA 477 Cb 0.64 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2nqx h ALA 477 CO -0.48 -0.49 -0.25 -0.22 0.00 0.00 0.00 179.25 177.80 2nqx h LYS 478 N 0.47 0.93 -0.41 0.00 3.64 -0.49 -1.68 116.57 119.02 2nqx h LYS 478 Ca 0.57 -0.42 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 2nqx h LYS 478 Cb 1.32 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 2nqx h LYS 478 CO -0.29 1.08 -0.11 0.87 -2.27 0.00 0.00 179.45 178.73 2nqx h LYS 479 N 0.76 0.81 -0.41 1.90 1.57 -0.45 -1.50 116.57 119.24 2nqx h LYS 479 Ca 0.09 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2nqx h LYS 479 Cb 0.83 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 2nqx h LYS 479 CO 0.07 0.94 0.25 1.25 -0.57 0.00 0.00 179.45 181.39 2nqx h LEU 480 N 0.62 0.49 -0.60 2.94 5.85 -1.35 -2.15 115.31 121.12 2nqx h LEU 480 Ca 0.10 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2nqx h LEU 480 Cb 0.65 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2nqx h LEU 480 CO 0.04 0.39 0.39 0.24 -0.34 0.00 0.00 178.44 179.16 2nqx h MET 481 N 0.55 0.76 0.00 1.25 2.86 -1.10 0.26 114.93 119.50 2nqx h MET 481 Ca 0.15 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 2nqx h MET 481 Cb -0.02 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.47 2nqx h MET 481 CO -0.03 0.50 -0.12 -0.44 1.06 0.00 0.00 176.91 177.88 2nqx h ASP 482 N 0.78 0.00 0.14 1.22 3.32 -1.04 0.62 116.42 121.46 2nqx h ASP 482 Ca 0.22 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.91 2nqx h ASP 482 Cb -0.06 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2nqx h ASP 482 CO -0.06 0.12 -2.01 0.18 -1.72 0.00 0.00 179.24 175.75 2nqx n LEU 483 N -3.46 2.53 -0.00 1.55 4.77 -0.83 -4.57 117.00 116.98 2nqx n LEU 483 Ca -0.01 0.20 0.07 0.00 -0.03 0.00 0.00 56.01 56.25 2nqx n LEU 483 Cb 0.28 -1.01 -0.10 0.00 -2.33 0.00 0.00 43.42 40.26 2nqx n LEU 483 CO 0.30 0.83 -0.27 -1.22 -1.33 0.00 0.00 177.39 175.70 2nqx n TYR 484 N -3.44 0.00 0.00 -1.77 4.01 0.86 -4.16 117.16 112.66 2nqx n TYR 484 Ca -0.32 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 2nqx n TYR 484 Cb 1.05 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.95 2nqx n TYR 484 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2nqx n LYS 485 N -1.60 0.00 -3.67 -0.72 4.76 0.21 -4.75 118.16 112.39 2nqx n LYS 485 Ca 0.01 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.36 2nqx n LYS 485 Cb 0.29 -2.31 -0.09 0.00 -1.84 0.00 0.00 35.03 31.08 2nqx n LYS 485 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2nqx s THR 486 N -0.08 -0.23 0.63 -0.18 -1.32 -1.26 -4.99 115.64 108.20 2nqx s THR 486 Ca 0.00 0.08 0.34 0.00 -1.21 0.00 0.00 61.69 60.90 2nqx s THR 486 Cb 0.00 -0.73 0.38 0.00 -1.51 0.00 0.00 72.50 70.63 2nqx s THR 486 CO 0.00 0.03 2.18 -0.65 -2.21 0.00 0.00 174.62 173.97 2nqx h PRO 487 N 7.40 0.00 0.00 7.08 0.11 -1.82 0.97 132.00 145.74 2nqx h PRO 487 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2nqx h PRO 487 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2nqx h PRO 487 CO 0.21 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.56 2nqx h ASP 488 N 0.00 0.00 0.07 -2.05 3.32 -1.94 -3.14 116.42 112.67 2nqx h ASP 488 Ca 0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 2nqx h ASP 488 Cb 0.30 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2nqx h ASP 488 CO -0.00 0.00 -1.94 0.59 -1.72 0.00 0.00 179.24 176.17 2nqx n ASN 489 N -2.89 0.06 -4.63 6.45 4.13 0.33 -4.04 115.26 114.67 2nqx n ASN 489 Ca -0.00 0.02 -0.53 0.00 1.68 0.00 0.00 54.58 55.75 2nqx n ASN 489 Cb 0.20 1.86 -0.06 0.00 -1.54 0.00 0.00 39.78 40.24 2nqx n ASN 489 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2nqx n ILE 490 N -2.30 0.11 -1.93 2.41 -0.00 -1.19 -4.76 119.36 111.70 2nqx n ILE 490 Ca -0.05 -0.02 -0.41 0.00 -0.00 0.00 0.00 62.75 62.28 2nqx n ILE 490 Cb 0.59 -1.03 -0.01 0.00 -0.00 0.00 0.00 39.64 39.19 2nqx n ILE 490 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 2nqx s ASP 491 N 1.49 6.43 0.38 4.38 1.01 -1.26 -1.54 116.67 127.56 2nqx s ASP 491 Ca 0.88 2.88 0.08 0.00 0.71 0.00 0.00 52.55 57.10 2nqx s ASP 491 Cb -0.95 -2.66 0.81 0.00 1.01 0.00 0.00 42.92 41.13 2nqx s ASP 491 CO 0.51 -0.79 1.95 -0.29 0.21 0.00 0.00 175.17 176.76 2nqx h ILE 492 N 2.88 0.98 0.96 0.77 6.09 -1.88 0.13 117.51 127.43 2nqx h ILE 492 Ca -0.50 -0.23 -0.05 0.00 -1.37 0.00 0.00 64.86 62.71 2nqx h ILE 492 Cb 1.24 0.24 0.01 0.00 0.47 0.00 0.00 36.82 38.78 2nqx h ILE 492 CO 0.64 0.12 -0.46 -0.25 -3.07 0.00 0.00 178.15 175.13 2nqx h TRP 493 N 0.68 -1.21 -0.28 2.19 7.01 -1.91 0.17 115.95 122.60 2nqx h TRP 493 Ca 0.32 -0.03 -0.14 0.00 2.11 0.00 0.00 58.89 61.15 2nqx h TRP 493 Cb 0.36 0.40 -0.01 0.00 -2.10 0.00 0.00 29.16 27.81 2nqx h TRP 493 CO -0.00 -0.75 -0.39 0.97 -2.79 0.00 0.00 178.44 175.48 2nqx h ILE 494 N -1.29 1.29 -0.23 2.65 -0.00 -1.92 -2.71 117.51 115.30 2nqx h ILE 494 Ca -0.13 -1.56 -0.01 0.00 -0.00 0.00 0.00 64.86 63.16 2nqx h ILE 494 Cb 0.99 1.50 -0.01 0.00 -0.00 0.00 0.00 36.82 39.30 2nqx h ILE 494 CO 0.21 0.50 0.11 1.23 -0.00 0.00 0.00 178.15 180.21 2nqx h GLY 495 N 0.98 0.36 1.10 8.18 0.00 -0.71 -2.03 103.07 110.95 2nqx h GLY 495 Ca 0.05 -0.18 -0.14 0.00 0.00 0.00 0.00 47.33 47.06 2nqx h GLY 495 CO 0.08 0.17 -0.26 -1.33 0.00 0.00 0.00 176.54 175.20 2nqx h GLY 496 N 0.24 1.05 2.00 4.60 0.00 -0.67 -3.05 103.07 107.23 2nqx h GLY 496 Ca 0.08 -0.97 -0.04 0.00 0.00 0.00 0.00 47.33 46.40 2nqx h GLY 496 CO -0.01 0.88 -0.20 3.43 0.00 0.00 0.00 176.54 180.64 2nqx h ASN 497 N 0.80 0.00 1.15 0.19 4.21 -1.47 -3.14 115.58 117.32 2nqx h ASN 497 Ca 0.09 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.60 2nqx h ASN 497 Cb 0.84 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.04 2nqx h ASN 497 CO 0.07 0.20 0.00 0.00 -1.29 0.00 0.00 177.43 176.41 2nqx h ALA 498 N 1.80 1.00 -2.52 -0.83 0.00 -1.25 -3.45 119.26 114.01 2nqx h ALA 498 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 2nqx h ALA 498 Cb 0.75 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.57 2nqx h ALA 498 CO 0.03 0.00 0.42 -1.21 0.00 0.00 0.00 179.25 178.49 2nqx s GLU 499 N -3.58 4.01 0.89 0.00 2.02 -1.19 -4.91 118.70 115.95 2nqx s GLU 499 Ca 0.02 1.54 -0.10 0.00 0.02 0.00 0.00 54.97 56.45 2nqx s GLU 499 Cb 0.08 -2.44 0.13 0.00 0.10 0.00 0.00 34.13 32.01 2nqx s GLU 499 CO 0.55 -0.28 1.13 -2.14 0.02 0.00 0.00 175.26 174.54 2nqx s PRO 500 N -2.66 1.22 0.43 0.39 0.02 -1.26 -4.45 135.00 128.68 2nqx s PRO 500 Ca 0.61 1.40 -0.22 0.00 0.02 0.00 0.00 61.00 62.81 2nqx s PRO 500 Cb -0.22 -1.76 -0.10 0.00 0.02 0.00 0.00 34.50 32.43 2nqx s PRO 500 CO 0.28 -2.44 0.97 -1.64 -0.33 0.00 0.00 177.00 173.84 2nqx s MET 501 N -4.71 4.19 0.55 5.54 -1.94 -1.26 -3.93 119.30 117.74 2nqx s MET 501 Ca 0.65 1.21 -0.16 0.00 -1.71 0.00 0.00 55.69 55.69 2nqx s MET 501 Cb -0.21 -2.26 -0.06 0.00 2.01 0.00 0.00 34.83 34.31 2nqx s MET 501 CO 0.58 -0.07 1.02 0.14 -0.01 0.00 0.00 175.02 176.68 2nqx s VAL 502 N -2.04 4.18 -0.09 -6.03 -7.23 -0.49 -4.93 120.40 103.76 2nqx s VAL 502 Ca 0.61 1.04 -0.38 0.00 -1.81 0.00 0.00 61.98 61.44 2nqx s VAL 502 Cb -0.12 -3.56 -0.16 0.00 0.56 0.00 0.00 36.38 33.10 2nqx s VAL 502 CO 0.16 -0.61 1.58 1.21 -0.31 0.00 0.00 175.10 177.13 2nqx n GLU 503 N -1.82 1.27 -1.57 4.82 2.13 -1.26 -1.29 120.64 122.93 2nqx n GLU 503 Ca 0.08 0.46 -0.20 0.00 0.66 0.00 0.00 57.16 58.16 2nqx n GLU 503 Cb 0.53 -2.15 -0.08 0.00 0.27 0.00 0.00 31.44 30.01 2nqx n GLU 503 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2nqx n ARG 504 N 4.17 -1.44 -3.39 5.31 1.74 -1.26 -1.48 116.66 120.30 2nqx n ARG 504 Ca 0.22 1.19 -0.16 0.00 -0.77 0.00 0.00 57.85 58.33 2nqx n ARG 504 Cb 0.17 -5.56 -0.04 0.00 -1.02 0.00 0.00 32.46 26.02 2nqx n ARG 504 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nqx n GLY 505 N -0.41 3.81 0.24 -0.13 0.00 -0.41 -3.92 105.19 104.37 2nqx n GLY 505 Ca -0.20 -2.23 0.03 0.00 0.00 0.00 0.00 46.02 43.63 2nqx n GLY 505 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nqx n ARG 506 N -0.63 0.72 -4.22 1.61 5.12 0.10 -4.64 116.66 114.72 2nqx n ARG 506 Ca -0.09 -1.51 -0.13 0.00 -1.93 0.00 0.00 57.85 54.19 2nqx n ARG 506 Cb 0.34 -0.88 -0.10 0.00 -1.16 0.00 0.00 32.46 30.66 2nqx n ARG 506 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2nqx s VAL 507 N -1.06 0.31 0.76 1.55 -7.23 -1.20 -4.95 120.40 108.58 2nqx s VAL 507 Ca 0.11 -1.97 -0.05 0.00 -1.81 0.00 0.00 61.98 58.26 2nqx s VAL 507 Cb 0.09 -2.30 0.16 0.00 0.56 0.00 0.00 36.38 34.90 2nqx s VAL 507 CO 0.01 -0.26 1.04 0.61 -0.31 0.00 0.00 175.10 176.19 2nqx n GLY 508 N -0.25 -0.07 0.37 2.32 0.00 -1.25 -1.40 105.19 104.90 2nqx n GLY 508 Ca -0.03 -1.92 0.11 0.00 0.00 0.00 0.00 46.02 44.18 2nqx n GLY 508 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2nqx h PRO 509 N 0.00 0.76 0.17 1.61 0.11 -1.92 -0.50 132.00 132.24 2nqx h PRO 509 Ca -0.34 -0.05 -0.30 0.00 0.11 0.00 0.00 66.00 65.42 2nqx h PRO 509 Cb 1.13 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 32.08 2nqx h PRO 509 CO 0.32 0.51 -1.39 1.25 -0.21 0.00 0.00 178.00 178.47 2nqx h LEU 510 N 0.79 0.57 -0.29 2.35 5.85 -1.94 -3.07 115.31 119.57 2nqx h LEU 510 Ca 0.47 -0.65 -0.19 0.00 0.84 0.00 0.00 57.88 58.36 2nqx h LEU 510 Cb 0.67 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2nqx h LEU 510 CO -0.24 1.51 -0.55 -0.07 -0.34 0.00 0.00 178.44 178.76 2nqx h LEU 511 N 0.10 0.99 -2.19 2.25 4.07 -1.79 -2.50 115.31 116.24 2nqx h LEU 511 Ca -0.20 -0.53 -0.01 0.00 0.08 0.00 0.00 57.88 57.21 2nqx h LEU 511 Cb 2.05 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 43.51 2nqx h LEU 511 CO 0.22 1.33 -0.06 0.00 -1.08 0.00 0.00 178.44 178.86 2nqx h ALA 512 N 0.68 1.23 0.00 1.53 0.00 -1.19 0.23 119.26 121.75 2nqx h ALA 512 Ca 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2nqx h ALA 512 Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2nqx h ALA 512 CO 0.12 0.07 -0.00 0.00 0.00 0.00 0.00 179.25 179.44 2nqx h LEU 514 N -0.98 0.44 0.46 0.00 3.38 -1.19 -0.33 115.31 117.09 2nqx h LEU 514 Ca -0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2nqx h LEU 514 Cb 0.77 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2nqx h LEU 514 CO 0.00 0.40 -0.22 -0.07 0.09 0.00 0.00 178.44 178.64 2nqx h LEU 515 N 0.45 -0.52 -0.77 1.67 3.38 -1.11 -2.87 115.31 115.54 2nqx h LEU 515 Ca 0.13 -0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.12 2nqx h LEU 515 Cb 0.05 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 40.81 2nqx h LEU 515 CO -0.02 -0.19 -0.42 1.23 0.09 0.00 0.00 178.44 179.13 2nqx h GLY 516 N -0.89 -0.28 0.77 0.83 0.00 -1.07 0.34 103.07 102.77 2nqx h GLY 516 Ca -0.06 0.56 -0.01 0.00 0.00 0.00 0.00 47.33 47.82 2nqx h GLY 516 CO 0.10 -0.16 -0.31 3.21 0.00 0.00 0.00 176.54 179.39 2nqx h ARG 517 N -0.12 -0.68 -0.34 4.80 3.08 -1.13 -1.18 114.38 118.81 2nqx h ARG 517 Ca 0.24 0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.41 2nqx h ARG 517 Cb 0.55 0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.68 2nqx h ARG 517 CO -0.82 -0.45 -0.25 0.37 -1.07 0.00 0.00 179.97 177.75 2nqx h GLN 518 N -0.71 -0.20 -0.35 0.04 5.75 -1.14 0.39 115.11 118.89 2nqx h GLN 518 Ca -0.04 0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.41 2nqx h GLN 518 Cb 0.61 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.19 2nqx h GLN 518 CO -0.00 -0.13 -0.05 0.74 -2.65 0.00 0.00 178.83 176.74 2nqx h PHE 519 N -0.21 0.60 -0.83 3.99 0.04 -0.90 -1.01 116.94 118.61 2nqx h PHE 519 Ca 0.17 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 2nqx h PHE 519 Cb 0.48 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.42 2nqx h PHE 519 CO -0.45 0.61 0.43 0.37 -0.60 0.00 0.00 178.31 178.67 2nqx h GLN 520 N 0.53 1.18 -0.03 1.51 -0.00 -0.22 -2.82 115.11 115.26 2nqx h GLN 520 Ca 0.11 -0.15 -0.02 0.00 -0.00 0.00 0.00 58.65 58.58 2nqx h GLN 520 Cb 0.42 -0.22 0.00 0.00 0.00 0.00 0.00 27.48 27.67 2nqx h GLN 520 CO 0.02 0.88 -0.08 1.96 0.00 0.00 0.00 178.83 181.61 2nqx h GLN 521 N 1.18 0.10 0.00 1.69 4.20 -0.05 -1.50 115.11 120.73 2nqx h GLN 521 Ca 0.29 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 2nqx h GLN 521 Cb 0.07 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 2nqx h GLN 521 CO -0.04 0.69 -0.02 -0.84 -0.67 0.00 0.00 178.83 177.95 2nqx h ILE 522 N -0.47 1.01 0.09 2.54 3.07 -1.27 0.40 117.51 122.89 2nqx h ILE 522 Ca -0.00 -0.06 -0.00 0.00 1.55 0.00 0.00 64.86 66.34 2nqx h ILE 522 Cb 0.69 1.03 0.00 0.00 -0.27 0.00 0.00 36.82 38.27 2nqx h ILE 522 CO 0.02 0.02 -0.04 -0.09 -1.05 0.00 0.00 178.15 177.00 2nqx h ARG 523 N 0.00 -0.12 0.00 0.16 1.12 -1.51 -2.92 114.38 111.11 2nqx h ARG 523 Ca -0.00 0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2nqx h ARG 523 Cb 0.03 0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 30.02 2nqx h ARG 523 CO 0.00 0.08 -0.02 -0.44 -3.11 0.00 0.00 179.97 176.48 2nqx h ASP 524 N -1.01 0.00 0.14 -3.80 3.32 -1.12 -2.65 116.42 111.29 2nqx h ASP 524 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2nqx h ASP 524 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2nqx h ASP 524 CO 0.02 0.02 -0.53 0.61 -1.72 0.00 0.00 179.24 177.65 2nqx n GLY 525 N -1.27 -0.55 3.53 2.75 0.00 0.14 -0.82 105.19 108.96 2nqx n GLY 525 Ca -0.03 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 2nqx n GLY 525 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2nqx s ASP 526 N -2.67 6.37 0.43 1.61 2.15 -1.00 -4.74 116.67 118.82 2nqx s ASP 526 Ca 0.17 -0.18 0.10 0.00 0.43 0.00 0.00 52.55 53.07 2nqx s ASP 526 Cb 0.18 -2.34 0.94 0.00 -0.30 0.00 0.00 42.92 41.40 2nqx s ASP 526 CO 0.64 -0.78 2.03 -0.09 -0.17 0.00 0.00 175.17 176.80 2nqx h ARG 527 N 8.82 0.28 -1.03 4.34 2.43 -1.87 -2.46 114.38 124.89 2nqx h ARG 527 Ca -0.25 -0.03 -0.40 0.00 -0.81 0.00 0.00 59.98 58.48 2nqx h ARG 527 Cb 1.10 -0.06 -0.23 0.00 -0.42 0.00 0.00 29.97 30.36 2nqx h ARG 527 CO 0.90 0.27 0.51 1.19 -1.51 0.00 0.00 179.97 181.33 2nqx n PHE 528 N -4.42 2.30 -2.24 2.20 3.01 -1.26 -4.87 117.46 112.19 2nqx n PHE 528 Ca 0.00 -1.63 -0.41 0.00 1.01 0.00 0.00 57.45 56.42 2nqx n PHE 528 Cb 0.15 -0.83 -0.03 0.00 -0.01 0.00 0.00 39.48 38.76 2nqx n PHE 528 CO 0.00 0.00 0.00 -0.46 1.01 0.00 0.00 176.76 177.31 2nqx s TRP 529 N -2.50 3.24 0.42 1.38 -0.11 -0.93 -4.92 118.94 115.52 2nqx s TRP 529 Ca 0.43 1.45 0.09 0.00 1.22 0.00 0.00 56.10 59.29 2nqx s TRP 529 Cb 0.36 -3.55 0.92 0.00 -1.50 0.00 0.00 33.47 29.70 2nqx s TRP 529 CO 0.07 -1.50 2.05 0.11 -4.62 0.00 0.00 176.95 173.06 2nqx h TRP 530 N 3.92 0.46 0.00 5.86 5.08 -1.92 -0.95 115.95 128.40 2nqx h TRP 530 Ca -0.47 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.51 2nqx h TRP 530 Cb 1.22 -0.16 0.00 0.00 -3.00 0.00 0.00 29.16 27.22 2nqx h TRP 530 CO 0.58 0.28 0.00 0.39 -1.28 0.00 0.00 178.44 178.41 2nqx n GLU 531 N -4.48 0.26 -1.95 0.12 1.02 -1.26 -4.41 120.64 109.95 2nqx n GLU 531 Ca 0.04 0.22 -0.43 0.00 -0.02 0.00 0.00 57.16 56.97 2nqx n GLU 531 Cb 0.12 -1.81 -0.03 0.00 -0.02 0.00 0.00 31.44 29.70 2nqx n GLU 531 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2nqx s ASN 532 N -4.54 6.07 0.20 1.62 2.47 -0.36 -4.91 114.94 115.50 2nqx s ASN 532 Ca 0.11 1.67 -0.32 0.00 0.42 0.00 0.00 52.86 54.74 2nqx s ASN 532 Cb 0.12 -2.53 -0.15 0.00 -1.45 0.00 0.00 41.25 37.24 2nqx s ASN 532 CO 0.59 -1.50 1.15 -2.65 -3.72 0.00 0.00 177.10 170.97 2nqx n PRO 533 N 8.08 1.27 0.00 0.43 -0.02 -1.26 -1.96 135.00 141.55 2nqx n PRO 533 Ca 0.22 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2nqx n PRO 533 Cb 0.45 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 2nqx n PRO 533 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nqx n GLY 534 N 1.88 3.41 0.08 -1.23 0.00 -1.26 -4.89 105.19 103.18 2nqx n GLY 534 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 2nqx n GLY 534 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2nqx h VAL 535 N 0.00 1.34 -1.80 1.61 2.07 -1.71 -3.46 116.25 114.30 2nqx h VAL 535 Ca 0.00 -1.46 -0.60 0.00 0.82 0.00 0.00 66.70 65.46 2nqx h VAL 535 Cb 0.00 2.28 -0.13 0.00 -1.52 0.00 0.00 31.29 31.92 2nqx h VAL 535 CO 0.00 0.36 -0.60 -0.36 0.02 0.00 0.00 177.57 176.99 2nqx s PHE 536 N -3.47 2.37 0.35 1.57 0.40 -1.26 -5.11 117.98 112.83 2nqx s PHE 536 Ca -0.16 -0.75 -0.03 0.00 -0.60 0.00 0.00 56.93 55.40 2nqx s PHE 536 Cb 0.00 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 2nqx s PHE 536 CO 0.62 0.35 0.59 0.95 0.70 0.00 0.00 175.22 178.43 2nqx s THR 537 N -2.83 5.04 0.29 0.64 -4.23 -1.26 -4.89 115.64 108.40 2nqx s THR 537 Ca 0.33 -0.15 0.03 0.00 -1.18 0.00 0.00 61.69 60.72 2nqx s THR 537 Cb 0.09 -3.81 0.28 0.00 1.34 0.00 0.00 72.50 70.40 2nqx s THR 537 CO 0.17 -0.52 1.78 -0.33 -0.54 0.00 0.00 174.62 175.18 2nqx h GLU 538 N 1.01 0.76 -0.45 3.99 5.08 -2.00 0.45 114.58 123.42 2nqx h GLU 538 Ca -0.48 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 57.69 2nqx h GLU 538 Cb 1.21 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2nqx h GLU 538 CO 0.63 0.50 -0.27 0.87 -1.00 0.00 0.00 179.01 179.75 2nqx h LYS 539 N 0.78 0.96 -0.54 2.33 1.57 -1.96 -0.93 116.57 118.78 2nqx h LYS 539 Ca 0.53 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2nqx h LYS 539 Cb 0.75 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 2nqx h LYS 539 CO -0.35 1.10 0.26 1.96 -0.57 0.00 0.00 179.45 181.85 2nqx h GLN 540 N 0.82 0.77 -0.59 3.15 4.20 -1.05 -2.25 115.11 120.16 2nqx h GLN 540 Ca 0.10 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2nqx h GLN 540 Cb 0.84 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.46 2nqx h GLN 540 CO 0.07 0.63 0.34 0.00 -0.67 0.00 0.00 178.83 179.20 2nqx h ARG 541 N 0.72 0.82 -0.33 1.46 3.08 -0.16 -1.94 114.38 118.03 2nqx h ARG 541 Ca 0.18 -0.09 0.10 0.00 0.07 0.00 0.00 59.98 60.25 2nqx h ARG 541 Cb 0.11 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2nqx h ARG 541 CO -0.02 0.61 0.27 -0.44 -1.07 0.00 0.00 179.97 179.32 2nqx h ASP 542 N 0.80 0.00 0.51 7.04 3.32 -0.77 -1.83 116.42 125.50 2nqx h ASP 542 Ca 0.21 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.97 2nqx h ASP 542 Cb 0.02 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 2nqx h ASP 542 CO -0.04 0.00 -1.60 -1.28 -1.72 0.00 0.00 179.24 174.60 2nqx h SER 543 N 0.00 0.13 0.99 6.45 0.87 -0.80 -3.36 113.55 117.83 2nqx h SER 543 Ca 0.16 -0.23 -0.10 0.00 -1.23 0.00 0.00 61.79 60.39 2nqx h SER 543 Cb 0.70 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 2nqx h SER 543 CO -0.00 1.20 -0.47 -0.07 -0.53 0.00 0.00 176.83 176.96 2nqx h LEU 544 N 0.02 0.00 -1.34 2.23 3.38 -0.63 -3.13 115.31 115.85 2nqx h LEU 544 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2nqx h LEU 544 Cb 1.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.73 2nqx h LEU 544 CO 0.10 0.47 0.00 1.56 0.09 0.00 0.00 178.44 180.67 2nqx h GLN 545 N 0.00 0.00 -0.01 1.13 4.20 -1.57 -2.42 115.11 116.44 2nqx h GLN 545 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2nqx h GLN 545 Cb 1.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.88 2nqx h GLN 545 CO 0.06 0.00 -0.25 1.63 -0.67 0.00 0.00 178.83 179.60 2nqx n LYS 546 N -2.39 0.96 -1.94 1.46 5.02 -1.18 -4.95 118.16 115.14 2nqx n LYS 546 Ca -0.00 -0.59 -0.35 0.00 -2.02 0.00 0.00 58.31 55.34 2nqx n LYS 546 Cb 0.12 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 33.69 2nqx n LYS 546 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2nqx s VAL 547 N -2.45 2.66 -0.24 -0.18 -7.23 -0.91 -4.77 120.40 107.28 2nqx s VAL 547 Ca 0.25 0.39 -0.21 0.00 -1.81 0.00 0.00 61.98 60.61 2nqx s VAL 547 Cb 0.19 -3.11 0.06 0.00 0.56 0.00 0.00 36.38 34.09 2nqx s VAL 547 CO 0.50 -0.11 0.63 -0.94 -0.31 0.00 0.00 175.10 174.87 2nqx s SER 548 N -1.73 -0.68 0.50 4.85 1.04 -1.26 -5.00 113.70 111.42 2nqx s SER 548 Ca 0.76 1.28 0.25 0.00 0.48 0.00 0.00 55.95 58.72 2nqx s SER 548 Cb -0.29 1.27 1.34 0.00 0.10 0.00 0.00 66.02 68.44 2nqx s SER 548 CO 0.35 -0.22 1.93 0.15 0.98 0.00 0.00 173.24 176.43 2nqx h PHE 549 N 5.43 0.14 -0.02 5.02 3.57 -1.96 -0.19 116.94 128.93 2nqx h PHE 549 Ca -0.29 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.24 2nqx h PHE 549 Cb 1.17 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.83 2nqx h PHE 549 CO 0.35 0.05 -0.19 0.77 -2.23 0.00 0.00 178.31 177.06 2nqx h SER 550 N 0.11 -0.56 -0.33 0.41 0.02 -1.86 -2.45 113.55 108.90 2nqx h SER 550 Ca 0.36 0.08 0.06 0.00 -0.84 0.00 0.00 61.79 61.45 2nqx h SER 550 Cb 1.25 0.24 -0.06 0.00 0.14 0.00 0.00 62.40 63.96 2nqx h SER 550 CO -0.04 -0.25 -0.06 -0.09 -1.14 0.00 0.00 176.83 175.24 2nqx h ARG 551 N -0.30 0.02 -0.93 3.45 9.65 -1.35 -1.44 114.38 123.48 2nqx h ARG 551 Ca 0.06 -0.00 0.26 0.00 -1.10 0.00 0.00 59.98 59.20 2nqx h ARG 551 Cb 0.38 -0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 28.81 2nqx h ARG 551 CO -0.19 0.01 0.38 1.25 2.80 0.00 0.00 179.97 184.22 2nqx h LEU 552 N 0.02 0.24 0.57 3.80 5.85 -1.17 0.15 115.31 124.77 2nqx h LEU 552 Ca 0.16 0.19 -0.03 0.00 0.84 0.00 0.00 57.88 59.04 2nqx h LEU 552 Cb 0.24 0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.47 2nqx h LEU 552 CO -0.32 -0.12 -0.28 0.40 -0.34 0.00 0.00 178.44 177.78 2nqx h ILE 553 N 0.29 0.42 -0.73 4.05 1.08 -0.84 -2.63 117.51 119.14 2nqx h ILE 553 Ca 0.62 -0.10 0.14 0.00 -0.39 0.00 0.00 64.86 65.13 2nqx h ILE 553 Cb 1.30 0.46 -0.09 0.00 -3.07 0.00 0.00 36.82 35.41 2nqx h ILE 553 CO -0.62 0.02 0.27 0.00 -0.69 0.00 0.00 178.15 177.12 2nqx n ASP 555 N -5.03 0.77 0.00 0.00 8.00 -0.08 -4.13 116.55 116.08 2nqx n ASP 555 Ca 0.13 0.54 0.00 0.00 0.71 0.00 0.00 54.79 56.18 2nqx n ASP 555 Cb 0.40 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 2nqx n ASP 555 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2nqx n ASN 556 N -2.22 0.63 -1.23 -2.24 3.02 -0.84 -5.04 115.26 107.35 2nqx n ASN 556 Ca 0.05 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 2nqx n ASN 556 Cb 0.43 0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.88 2nqx n ASN 556 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2nqx n THR 557 N -0.29 0.00 -0.95 3.41 -2.24 -0.29 -5.01 114.28 108.91 2nqx n THR 557 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 2nqx n THR 557 Cb 0.01 0.00 0.25 0.00 -2.10 0.00 0.00 70.33 68.49 2nqx n THR 557 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2nqx n HIS 558 N 0.00 0.87 -2.46 4.78 8.25 -1.26 -4.87 115.22 120.54 2nqx n HIS 558 Ca 0.00 -0.86 -0.38 0.00 -0.26 0.00 0.00 57.72 56.22 2nqx n HIS 558 Cb 0.00 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 30.78 2nqx n HIS 558 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2nqx s ILE 559 N -2.73 3.51 0.00 1.59 -1.09 -1.26 -4.96 121.20 116.26 2nqx s ILE 559 Ca 0.41 1.26 0.00 0.00 -2.23 0.00 0.00 60.65 60.09 2nqx s ILE 559 Cb 0.33 -3.70 0.00 0.00 -1.58 0.00 0.00 42.46 37.50 2nqx s ILE 559 CO 0.09 0.11 0.00 0.35 -1.23 0.00 0.00 174.94 174.26 2nqx n THR 560 N 0.25 0.00 -4.06 2.92 -2.24 -1.26 -4.67 114.28 105.22 2nqx n THR 560 Ca 0.03 -0.06 -0.34 0.00 -2.27 0.00 0.00 64.05 61.42 2nqx n THR 560 Cb 0.48 0.49 -0.14 0.00 -2.10 0.00 0.00 70.33 69.06 2nqx n THR 560 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2nqx s LYS 561 N -1.55 3.32 0.05 -0.78 -0.14 -1.26 -0.20 119.74 119.18 2nqx s LYS 561 Ca 0.00 -0.67 -0.03 0.00 -1.36 0.00 0.00 55.97 53.92 2nqx s LYS 561 Cb 0.00 -2.89 -0.03 0.00 -1.68 0.00 0.00 37.83 33.24 2nqx s LYS 561 CO 0.00 -0.14 0.03 0.14 -0.76 0.00 0.00 175.35 174.62 2nqx s VAL 562 N 1.29 0.18 0.55 3.17 -7.23 -0.13 -4.84 120.40 113.39 2nqx s VAL 562 Ca 0.03 -1.50 -0.07 0.00 -1.81 0.00 0.00 61.98 58.63 2nqx s VAL 562 Cb -0.14 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.50 2nqx s VAL 562 CO -0.04 -0.83 0.89 -2.16 -0.31 0.00 0.00 175.10 172.65 2nqx s PRO 563 N -3.46 3.47 -0.01 4.82 0.04 -1.26 -0.49 135.00 138.11 2nqx s PRO 563 Ca 0.03 0.37 -0.21 0.00 0.04 0.00 0.00 61.00 61.22 2nqx s PRO 563 Cb 0.04 -2.26 -0.24 0.00 0.04 0.00 0.00 34.50 32.09 2nqx s PRO 563 CO -0.08 -0.40 1.07 -0.07 0.04 0.00 0.00 177.00 177.55 2nqx h LEU 564 N -0.03 0.46 -7.91 -3.56 4.07 -1.97 -3.40 115.31 102.98 2nqx h LEU 564 Ca -0.46 -0.78 -0.73 0.00 0.08 0.00 0.00 57.88 55.99 2nqx h LEU 564 Cb 1.21 -0.14 -0.30 0.00 1.08 0.00 0.00 40.66 42.51 2nqx h LEU 564 CO 0.62 1.18 -0.33 -1.00 -1.08 0.00 0.00 178.44 177.83 2nqx s HIS 565 N -3.13 3.45 -1.56 1.13 3.76 -1.26 -4.77 115.29 112.91 2nqx s HIS 565 Ca -0.14 -1.95 0.30 0.00 -0.15 0.00 0.00 55.06 53.12 2nqx s HIS 565 Cb 0.03 -3.51 1.60 0.00 1.11 0.00 0.00 32.58 31.80 2nqx s HIS 565 CO 0.81 -0.98 2.08 0.00 -0.85 0.00 0.00 174.74 175.80 2nqx n ALA 566 N 4.68 2.52 -0.05 -1.40 0.00 -1.26 -3.57 120.51 121.41 2nqx n ALA 566 Ca -0.04 -0.15 -0.08 0.00 0.00 0.00 0.00 53.44 53.16 2nqx n ALA 566 Cb 0.41 -1.49 -0.15 0.00 0.00 0.00 0.00 19.45 18.22 2nqx n ALA 566 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2nqx n PHE 567 N -1.22 0.51 -1.75 0.00 3.72 -1.26 -4.63 117.46 112.83 2nqx n PHE 567 Ca 0.16 0.18 -0.30 0.00 -0.05 0.00 0.00 57.45 57.45 2nqx n PHE 567 Cb 0.21 -1.08 0.07 0.00 -0.94 0.00 0.00 39.48 37.74 2nqx n PHE 567 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 2nqx s GLN 568 N -2.59 2.44 -0.01 -1.08 -2.07 -1.23 -1.25 119.66 113.86 2nqx s GLN 568 Ca -0.07 0.49 -0.30 0.00 -1.82 0.00 0.00 55.36 53.65 2nqx s GLN 568 Cb 0.07 -1.97 -0.04 0.00 -1.09 0.00 0.00 33.01 29.98 2nqx s GLN 568 CO 0.83 -1.34 1.21 0.00 -1.32 0.00 0.00 175.29 174.67 2nqx s ALA 569 N -3.30 3.46 -0.04 2.60 0.00 -1.20 -3.73 121.76 119.54 2nqx s ALA 569 Ca 0.60 0.71 0.06 0.00 0.00 0.00 0.00 51.96 53.33 2nqx s ALA 569 Cb -0.12 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 2nqx s ALA 569 CO 0.52 -0.66 -0.21 -0.80 0.00 0.00 0.00 175.76 174.61 2nqx s ASN 570 N 1.37 2.61 -0.18 0.00 -0.87 -1.26 -4.94 114.94 111.67 2nqx s ASN 570 Ca 0.57 -0.43 -0.08 0.00 -1.57 0.00 0.00 52.86 51.36 2nqx s ASN 570 Cb -0.27 -0.62 -0.04 0.00 -0.02 0.00 0.00 41.25 40.30 2nqx s ASN 570 CO 0.25 0.22 0.07 0.20 -2.57 0.00 0.00 177.10 175.26 2nqx s ASN 571 N -0.17 5.68 0.08 -1.22 0.01 -1.26 -4.68 114.94 113.38 2nqx s ASN 571 Ca -0.01 0.10 -0.27 0.00 -0.71 0.00 0.00 52.86 51.97 2nqx s ASN 571 Cb -0.12 -1.97 -0.06 0.00 0.41 0.00 0.00 41.25 39.52 2nqx s ASN 571 CO 0.02 0.18 0.86 -0.47 -1.51 0.00 0.00 177.10 176.18 2nqx s TYR 572 N 0.32 3.77 -2.41 2.20 5.04 -1.26 -0.74 117.35 124.28 2nqx s TYR 572 Ca 0.04 1.63 0.23 0.00 -2.44 0.00 0.00 57.07 56.52 2nqx s TYR 572 Cb -0.12 -2.93 0.48 0.00 0.35 0.00 0.00 41.96 39.74 2nqx s TYR 572 CO -0.00 0.25 1.43 -0.35 -1.34 0.00 0.00 175.55 175.54 2nqx n PRO 573 N 2.78 2.45 -0.07 4.97 -0.04 -1.26 -4.95 135.00 138.88 2nqx n PRO 573 Ca -0.00 -2.20 -0.08 0.00 -0.04 0.00 0.00 63.50 61.18 2nqx n PRO 573 Cb 0.50 -1.51 -0.01 0.00 -0.04 0.00 0.00 33.50 32.44 2nqx n PRO 573 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2nqx h HIS 574 N 4.22 0.12 -0.01 0.54 2.76 -1.75 -2.98 115.15 118.05 2nqx h HIS 574 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2nqx h HIS 574 Cb 0.93 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.88 2nqx h HIS 574 CO 0.26 0.04 -0.13 -0.25 -1.30 0.00 0.00 177.93 176.55 2nqx n ASP 575 N -5.07 1.43 -4.86 3.26 8.00 0.09 -4.89 116.55 114.51 2nqx n ASP 575 Ca -0.01 -1.28 -0.36 0.00 0.71 0.00 0.00 54.79 53.85 2nqx n ASP 575 Cb 0.11 0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.24 2nqx n ASP 575 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2nqx s PHE 576 N -2.24 3.65 0.23 1.24 0.40 -1.13 -4.28 117.98 115.87 2nqx s PHE 576 Ca 0.30 0.84 0.05 0.00 -0.60 0.00 0.00 56.93 57.53 2nqx s PHE 576 Cb 0.20 -2.18 -0.05 0.00 0.51 0.00 0.00 43.02 41.49 2nqx s PHE 576 CO 0.42 0.61 -0.05 0.14 0.70 0.00 0.00 175.22 177.04 2nqx s VAL 577 N -1.21 1.32 0.25 -0.44 -7.23 0.35 -4.87 120.40 108.57 2nqx s VAL 577 Ca 0.27 -2.08 -0.30 0.00 -1.81 0.00 0.00 61.98 58.06 2nqx s VAL 577 Cb -0.15 -2.29 -0.09 0.00 0.56 0.00 0.00 36.38 34.41 2nqx s VAL 577 CO 0.14 -0.39 1.09 -0.62 -0.31 0.00 0.00 175.10 175.01 2nqx s ASP 578 N -3.34 7.30 0.61 4.85 -1.08 -1.26 -0.95 116.67 122.80 2nqx s ASP 578 Ca 0.27 2.19 0.27 0.00 -0.52 0.00 0.00 52.55 54.76 2nqx s ASP 578 Cb 0.04 -2.62 1.31 0.00 -1.46 0.00 0.00 42.92 40.19 2nqx s ASP 578 CO 0.09 -0.14 1.73 0.00 0.52 0.00 0.00 175.17 177.37 2nqx h SER 580 N 0.00 0.00 0.30 0.00 0.02 -1.91 -2.19 113.55 109.77 2nqx h SER 580 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2nqx h SER 580 Cb 1.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.06 2nqx h SER 580 CO -0.00 0.01 -0.29 0.41 -1.14 0.00 0.00 176.83 175.82 2nqx n THR 581 N -3.12 0.00 -3.60 -2.27 -1.04 0.11 -4.89 114.28 99.46 2nqx n THR 581 Ca -0.01 -0.10 -0.36 0.00 -2.04 0.00 0.00 64.05 61.54 2nqx n THR 581 Cb 0.23 0.34 -0.08 0.00 -1.82 0.00 0.00 70.33 69.00 2nqx n THR 581 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2nqx s VAL 582 N -2.59 5.34 0.28 12.58 1.01 -0.82 -5.05 120.40 131.14 2nqx s VAL 582 Ca 0.22 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.29 2nqx s VAL 582 Cb 0.19 -3.57 -0.14 0.00 0.00 0.00 0.00 36.38 32.86 2nqx s VAL 582 CO 0.55 0.38 1.12 0.47 0.00 0.00 0.00 175.10 177.62 2nqx n ASP 583 N 3.83 1.70 -4.95 3.32 9.92 -1.26 -5.00 116.55 124.10 2nqx n ASP 583 Ca -0.13 1.17 -0.21 0.00 -0.53 0.00 0.00 54.79 55.09 2nqx n ASP 583 Cb 0.52 -1.32 -0.02 0.00 -0.64 0.00 0.00 41.12 39.65 2nqx n ASP 583 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2nqx s LYS 584 N -1.31 3.38 -0.45 -1.24 1.02 -1.26 -4.81 119.74 115.06 2nqx s LYS 584 Ca 0.61 -0.78 -0.26 0.00 0.02 0.00 0.00 55.97 55.55 2nqx s LYS 584 Cb -0.70 -2.86 0.03 0.00 -0.52 0.00 0.00 37.83 33.78 2nqx s LYS 584 CO 0.58 0.43 0.98 -1.17 -0.92 0.00 0.00 175.35 175.25 2nqx s LEU 585 N -3.91 3.92 -0.65 3.17 2.96 -1.26 -4.86 118.68 118.04 2nqx s LEU 585 Ca 0.34 0.28 -0.27 0.00 -0.22 0.00 0.00 54.13 54.26 2nqx s LEU 585 Cb -0.09 -3.29 0.03 0.00 0.50 0.00 0.00 46.19 43.34 2nqx s LEU 585 CO 0.28 -1.07 1.21 -0.62 -1.32 0.00 0.00 176.35 174.84 2nqx s ASP 586 N 2.24 6.30 0.00 3.68 2.15 -1.26 -4.87 116.67 124.91 2nqx s ASP 586 Ca 0.40 -0.21 0.04 0.00 0.43 0.00 0.00 52.55 53.22 2nqx s ASP 586 Cb -0.10 -2.55 0.20 0.00 -0.30 0.00 0.00 42.92 40.17 2nqx s ASP 586 CO 0.26 -1.63 1.14 0.18 -0.17 0.00 0.00 175.17 174.95 2nqx n LEU 587 N 8.78 0.33 -0.09 -1.34 4.77 -1.26 -4.17 117.00 124.03 2nqx n LEU 587 Ca 0.05 -0.16 -0.04 0.00 -0.03 0.00 0.00 56.01 55.83 2nqx n LEU 587 Cb 0.49 -0.04 0.17 0.00 -2.33 0.00 0.00 43.42 41.71 2nqx n LEU 587 CO 0.71 0.08 0.85 0.77 -1.33 0.00 0.00 177.39 178.47 2nqx h SER 588 N 0.37 0.72 0.00 -1.43 4.64 -2.00 -2.49 113.55 113.37 2nqx h SER 588 Ca 0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2nqx h SER 588 Cb 0.08 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2nqx h SER 588 CO 0.00 0.82 0.00 -2.65 -0.87 0.00 0.00 176.83 174.13 2nqx n PRO 589 N -4.20 0.12 -0.79 4.77 -0.02 -1.26 -1.58 135.00 132.04 2nqx n PRO 589 Ca 0.02 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.58 2nqx n PRO 589 Cb 0.32 -1.42 0.38 0.00 -0.02 0.00 0.00 33.50 32.77 2nqx n PRO 589 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2nqx n TRP 590 N -0.92 1.84 -2.96 6.00 8.01 -0.94 -4.71 117.44 123.76 2nqx n TRP 590 Ca 0.02 -0.70 -0.39 0.00 -1.31 0.00 0.00 57.50 55.12 2nqx n TRP 590 Cb 0.01 -0.42 -0.06 0.00 -2.01 0.00 0.00 31.31 28.83 2nqx n TRP 590 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2nqx s ALA 591 N -2.49 3.41 -0.08 6.99 0.00 -0.62 -4.92 121.76 124.05 2nqx s ALA 591 Ca 0.53 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.87 2nqx s ALA 591 Cb 0.39 -2.98 0.02 0.00 0.00 0.00 0.00 23.12 20.54 2nqx s ALA 591 CO 0.18 0.28 -0.11 0.45 0.00 0.00 0.00 175.76 176.56 2nqx s SER 592 N -1.27 1.92 0.04 0.00 0.15 -1.26 -5.14 113.70 108.14 2nqx s SER 592 Ca 0.39 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2nqx s SER 592 Cb -0.22 -0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 63.20 2nqx s SER 592 CO 0.26 -0.01 0.15 -0.13 1.20 0.00 0.00 173.24 174.71 2nqx s ARG 593 N 0.95 3.23 0.00 5.44 0.52 -1.26 -5.00 118.95 122.83 2nqx s ARG 593 Ca -0.09 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 2nqx s ARG 593 Cb -0.15 -2.94 0.00 0.00 0.52 0.00 0.00 34.95 32.38 2nqx s ARG 593 CO 0.00 0.62 0.17 0.39 0.02 0.00 0.00 175.30 176.50 2nqx n GLU 594 N 0.62 0.00 0.00 3.54 -0.58 -1.26 -5.28 120.64 117.69 2nqx n GLU 594 Ca -0.09 0.17 0.12 0.00 -0.42 0.00 0.00 57.16 56.94 2nqx n GLU 594 Cb 0.52 -0.79 0.71 0.00 -0.57 0.00 0.00 31.44 31.31 2nqx n GLU 594 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74