#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqt n PRO 7 N 0.00 2.77 -3.68 -0.24 -0.02 -1.26 -5.04 135.00 127.53 1nqt n PRO 7 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.33 1nqt n PRO 7 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.33 1nqt n PRO 7 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1nqt s ASN 8 N -2.36 0.49 0.00 2.55 4.22 -1.26 -5.03 114.94 113.55 1nqt s ASN 8 Ca 0.00 0.39 0.00 0.00 -2.14 0.00 0.00 52.86 51.11 1nqt s ASN 8 Cb 0.00 0.35 0.00 0.00 1.28 0.00 0.00 41.25 42.88 1nqt s ASN 8 CO 0.00 -0.23 0.00 2.22 -2.04 0.00 0.00 177.10 177.05 1nqt n PHE 9 N 5.10 0.00 0.08 1.54 1.16 -1.26 0.19 117.46 124.28 1nqt n PHE 9 Ca -0.09 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.27 1nqt n PHE 9 Cb 0.50 -0.12 -0.15 0.00 -1.61 0.00 0.00 39.48 38.10 1nqt n PHE 9 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 1nqt h PHE 10 N 0.00 0.71 -0.53 2.97 -5.15 -1.93 -2.71 116.94 110.30 1nqt h PHE 10 Ca 0.00 -0.52 -0.07 0.00 -0.20 0.00 0.00 57.97 57.18 1nqt h PHE 10 Cb 0.00 -0.03 -0.02 0.00 0.22 0.00 0.00 35.95 36.12 1nqt h PHE 10 CO 0.00 1.46 0.05 -0.22 -2.00 0.00 0.00 178.31 177.60 1nqt h LYS 11 N -0.14 0.86 0.00 6.09 3.64 0.17 -1.57 116.57 125.62 1nqt h LYS 11 Ca -0.22 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1nqt h LYS 11 Cb 1.89 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.60 1nqt h LYS 11 CO 0.19 0.83 0.00 -1.33 -2.27 0.00 0.00 179.45 176.87 1nqt n MET 12 N -4.23 0.00 -0.30 1.90 2.81 -1.17 -0.89 117.12 115.25 1nqt n MET 12 Ca 0.03 0.30 0.00 0.00 -1.81 0.00 0.00 57.70 56.23 1nqt n MET 12 Cb 0.28 -1.20 0.07 0.00 -0.71 0.00 0.00 33.22 31.66 1nqt n MET 12 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1nqt h VAL 13 N 0.00 0.10 -0.90 2.03 2.07 -1.50 1.03 116.25 119.09 1nqt h VAL 13 Ca 0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 1nqt h VAL 13 Cb 0.00 0.10 -0.10 0.00 -1.52 0.00 0.00 31.29 29.78 1nqt h VAL 13 CO 0.00 0.00 0.49 -0.33 0.02 0.00 0.00 177.57 177.75 1nqt h GLU 14 N -0.04 0.67 -0.04 1.57 4.39 -1.29 0.24 114.58 120.08 1nqt h GLU 14 Ca 0.35 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.01 1nqt h GLU 14 Cb 0.60 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1nqt h GLU 14 CO -0.87 0.44 0.01 0.78 -1.16 0.00 0.00 179.01 178.21 1nqt h GLY 15 N 0.69 0.06 0.43 -3.84 0.00 0.29 -2.04 103.07 98.66 1nqt h GLY 15 Ca 0.49 -0.04 0.11 0.00 0.00 0.00 0.00 47.33 47.90 1nqt h GLY 15 CO -0.36 0.03 0.49 0.74 0.00 0.00 0.00 176.54 177.44 1nqt h PHE 16 N -0.12 0.87 0.41 5.60 0.05 0.33 -0.51 116.94 123.56 1nqt h PHE 16 Ca 0.01 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.81 1nqt h PHE 16 Cb 0.19 -0.26 0.00 0.00 2.00 0.00 0.00 35.95 37.88 1nqt h PHE 16 CO -0.01 0.31 -0.19 0.35 -0.18 0.00 0.00 178.31 178.59 1nqt h PHE 17 N 0.77 -0.50 -1.21 -0.55 3.57 -0.40 -2.54 116.94 116.08 1nqt h PHE 17 Ca 0.43 -0.01 0.40 0.00 3.53 0.00 0.00 57.97 62.32 1nqt h PHE 17 Cb 0.47 0.17 -0.13 0.00 2.79 0.00 0.00 35.95 39.24 1nqt h PHE 17 CO -0.06 -0.31 0.75 -0.44 -2.23 0.00 0.00 178.31 176.02 1nqt h ASP 18 N -0.61 0.32 0.48 0.41 3.32 -1.12 1.16 116.42 120.38 1nqt h ASP 18 Ca -0.06 0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1nqt h ASP 18 Cb 0.42 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1nqt h ASP 18 CO 0.09 -0.18 -0.25 -0.09 -1.72 0.00 0.00 179.24 177.09 1nqt h ARG 19 N 0.14 -0.65 0.00 3.56 1.12 -1.04 -2.05 114.38 115.47 1nqt h ARG 19 Ca 0.79 0.04 -0.04 0.00 -1.11 0.00 0.00 59.98 59.67 1nqt h ARG 19 Cb 2.29 0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 32.39 1nqt h ARG 19 CO -0.48 -0.43 -0.17 0.78 -3.11 0.00 0.00 179.97 176.56 1nqt h GLY 20 N -0.67 0.00 1.57 2.80 0.00 -0.38 -2.14 103.07 104.25 1nqt h GLY 20 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 1nqt h GLY 20 CO 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 176.54 176.31 1nqt h ALA 21 N 1.83 1.00 0.04 3.60 0.00 0.14 -2.48 119.26 123.39 1nqt h ALA 21 Ca -0.00 -0.39 -0.23 0.00 0.00 0.00 0.00 54.91 54.29 1nqt h ALA 21 Cb 0.38 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.08 1nqt h ALA 21 CO 0.02 0.60 -0.94 0.66 0.00 0.00 0.00 179.25 179.59 1nqt h SER 22 N 0.42 0.75 0.04 0.00 4.64 -0.84 -1.67 113.55 116.89 1nqt h SER 22 Ca 0.05 -0.78 -0.00 0.00 -0.47 0.00 0.00 61.79 60.58 1nqt h SER 22 Cb 0.77 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1nqt h SER 22 CO 0.06 1.45 -0.01 0.40 -0.87 0.00 0.00 176.83 177.86 1nqt h ILE 23 N 0.15 0.50 0.06 0.95 2.04 -1.35 -3.06 117.51 116.80 1nqt h ILE 23 Ca -0.13 -0.06 -0.36 0.00 1.00 0.00 0.00 64.86 65.31 1nqt h ILE 23 Cb 1.63 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.72 1nqt h ILE 23 CO 0.18 0.01 -2.02 0.52 0.00 0.00 0.00 178.15 176.85 1nqt n VAL 24 N -3.78 1.64 0.00 1.67 0.31 -0.94 -4.60 118.33 112.64 1nqt n VAL 24 Ca -0.03 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 1nqt n VAL 24 Cb 0.10 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.29 1nqt n VAL 24 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1nqt n GLU 25 N -3.71 0.00 0.00 5.55 2.13 -0.63 -0.87 120.64 123.11 1nqt n GLU 25 Ca -0.37 0.31 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1nqt n GLU 25 Cb 0.95 -0.47 0.00 0.00 0.27 0.00 0.00 31.44 32.19 1nqt n GLU 25 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1nqt n ASP 26 N -2.15 0.00 0.00 4.31 8.00 -1.26 -0.46 116.55 124.99 1nqt n ASP 26 Ca 0.00 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1nqt n ASP 26 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1nqt n ASP 26 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1nqt n LYS 27 N -0.30 0.00 0.02 -1.24 4.76 -0.91 -0.75 118.16 119.74 1nqt n LYS 27 Ca 0.00 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.55 1nqt n LYS 27 Cb 0.00 -1.15 -0.02 0.00 -1.84 0.00 0.00 35.03 32.02 1nqt n LYS 27 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1nqt n LEU 28 N -0.55 0.59 0.00 -0.35 7.94 0.39 -4.21 117.00 120.80 1nqt n LEU 28 Ca 0.00 -0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 1nqt n LEU 28 Cb 0.00 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 43.88 1nqt n LEU 28 CO 0.00 0.07 0.00 0.52 -1.11 0.00 0.00 177.39 176.87 1nqt n VAL 29 N -1.94 0.00 -1.81 1.96 0.31 0.07 -4.53 118.33 112.39 1nqt n VAL 29 Ca 0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.93 1nqt n VAL 29 Cb 0.44 -0.88 -0.02 0.00 -0.91 0.00 0.00 33.84 32.47 1nqt n VAL 29 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1nqt s GLU 30 N 0.00 4.14 0.00 5.55 -1.05 -1.20 -0.22 118.70 125.92 1nqt s GLU 30 Ca 0.00 2.55 0.00 0.00 -0.15 0.00 0.00 54.97 57.37 1nqt s GLU 30 Cb 0.00 -3.03 0.00 0.00 -0.44 0.00 0.00 34.13 30.66 1nqt s GLU 30 CO 0.00 -0.60 0.00 -0.25 0.95 0.00 0.00 175.26 175.36 1nqt n ASP 31 N 2.05 0.00 -0.00 0.83 9.92 -1.26 -4.42 116.55 123.67 1nqt n ASP 31 Ca 0.07 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.35 1nqt n ASP 31 Cb 0.38 -0.20 -0.02 0.00 -0.64 0.00 0.00 41.12 40.65 1nqt n ASP 31 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1nqt n LEU 32 N 0.00 0.12 -2.66 0.64 4.77 -0.94 -4.88 117.00 114.05 1nqt n LEU 32 Ca 0.00 -0.44 -0.03 0.00 -0.03 0.00 0.00 56.01 55.52 1nqt n LEU 32 Cb 0.00 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.21 1nqt n LEU 32 CO 0.00 0.03 0.77 -2.11 -1.33 0.00 0.00 177.39 174.75 1nqt n ARG 33 N -1.14 0.08 0.00 3.23 1.85 0.69 -4.97 116.66 116.41 1nqt n ARG 33 Ca 0.00 -0.62 0.05 0.00 -1.00 0.00 0.00 57.85 56.29 1nqt n ARG 33 Cb 0.05 -0.09 0.02 0.00 -1.05 0.00 0.00 32.46 31.39 1nqt n ARG 33 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1nqt n THR 34 N 0.49 0.00 -2.00 8.89 5.66 -1.22 -4.43 114.28 121.67 1nqt n THR 34 Ca -0.07 -0.44 -0.36 0.00 -3.05 0.00 0.00 64.05 60.13 1nqt n THR 34 Cb 0.76 1.16 0.03 0.00 -1.55 0.00 0.00 70.33 70.73 1nqt n THR 34 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1nqt n ARG 35 N 0.07 2.91 0.00 1.09 1.74 -1.26 -3.69 116.66 117.52 1nqt n ARG 35 Ca 0.05 -3.73 0.00 0.00 -0.77 0.00 0.00 57.85 53.40 1nqt n ARG 35 Cb 0.23 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.40 1nqt n ARG 35 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1nqt n GLU 36 N -0.56 0.00 -0.87 5.56 0.28 -1.26 -5.15 120.64 118.63 1nqt n GLU 36 Ca 0.51 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 57.17 1nqt n GLU 36 Cb 0.37 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.19 1nqt n GLU 36 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1nqt n SER 37 N 0.00 0.59 -4.19 -1.84 3.41 -1.24 -4.96 113.62 105.39 1nqt n SER 37 Ca 0.00 0.60 -0.36 0.00 -0.26 0.00 0.00 58.87 58.84 1nqt n SER 37 Cb 0.01 -0.44 -0.13 0.00 -0.26 0.00 0.00 64.21 63.39 1nqt n SER 37 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1nqt s GLU 38 N 1.47 2.38 0.00 4.33 8.01 -1.26 -4.74 118.70 128.89 1nqt s GLU 38 Ca 0.52 -1.38 0.00 0.00 0.01 0.00 0.00 54.97 54.12 1nqt s GLU 38 Cb -0.75 -3.37 0.00 0.00 -4.31 0.00 0.00 34.13 25.70 1nqt s GLU 38 CO 0.41 -0.75 0.00 0.39 0.01 0.00 0.00 175.26 175.32 1nqt n GLU 39 N 4.67 -1.20 -1.89 1.61 -0.58 -1.26 -2.32 120.64 119.67 1nqt n GLU 39 Ca -0.10 0.18 -0.18 0.00 -0.42 0.00 0.00 57.16 56.64 1nqt n GLU 39 Cb 0.43 -3.61 -0.05 0.00 -0.57 0.00 0.00 31.44 27.64 1nqt n GLU 39 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1nqt n GLN 40 N 0.05 -1.59 -0.81 3.49 1.13 -1.26 -4.73 117.38 113.66 1nqt n GLN 40 Ca 0.00 0.98 -0.02 0.00 -1.94 0.00 0.00 57.00 56.01 1nqt n GLN 40 Cb 0.18 -5.44 0.27 0.00 0.11 0.00 0.00 30.24 25.36 1nqt n GLN 40 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1nqt n LYS 41 N -2.50 3.45 0.07 -1.09 5.02 -0.98 -3.62 118.16 118.51 1nqt n LYS 41 Ca -0.19 -2.49 0.04 0.00 -2.02 0.00 0.00 58.31 53.65 1nqt n LYS 41 Cb 0.62 -2.06 -0.04 0.00 -0.02 0.00 0.00 35.03 33.53 1nqt n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nqt h ARG 42 N 2.42 0.00 0.00 1.97 2.47 -1.85 -3.00 114.38 116.39 1nqt h ARG 42 Ca 0.17 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 1nqt h ARG 42 Cb 1.96 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.28 1nqt h ARG 42 CO 0.56 0.22 0.00 -1.71 0.56 0.00 0.00 179.97 179.60 1nqt n ASN 43 N -2.88 0.00 -0.91 7.04 5.15 -1.24 -0.92 115.26 121.51 1nqt n ASN 43 Ca -0.05 0.19 0.12 0.00 -0.60 0.00 0.00 54.58 54.23 1nqt n ASN 43 Cb 0.74 -0.37 0.26 0.00 -0.53 0.00 0.00 39.78 39.87 1nqt n ASN 43 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1nqt n ARG 44 N -1.37 2.21 0.00 1.20 0.63 -1.13 -3.53 116.66 114.66 1nqt n ARG 44 Ca 0.08 -1.80 0.13 0.00 -0.92 0.00 0.00 57.85 55.34 1nqt n ARG 44 Cb 0.21 -1.47 0.43 0.00 0.45 0.00 0.00 32.46 32.08 1nqt n ARG 44 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1nqt n VAL 45 N 1.06 0.00 0.05 5.15 3.14 -0.09 -3.64 118.33 124.00 1nqt n VAL 45 Ca 0.17 -0.14 0.01 0.00 -2.96 0.00 0.00 64.34 61.42 1nqt n VAL 45 Cb 0.52 0.36 0.03 0.00 -1.06 0.00 0.00 33.84 33.69 1nqt n VAL 45 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1nqt n ARG 46 N -0.53 0.01 0.00 1.45 1.85 -1.23 -1.62 116.66 116.59 1nqt n ARG 46 Ca 0.14 0.36 0.04 0.00 -1.00 0.00 0.00 57.85 57.38 1nqt n ARG 46 Cb 0.34 -1.50 0.23 0.00 -1.05 0.00 0.00 32.46 30.48 1nqt n ARG 46 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nqt n GLY 47 N -1.26 -0.69 0.10 2.89 0.00 -1.24 -1.00 105.19 104.00 1nqt n GLY 47 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 1nqt n GLY 47 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1nqt h ILE 48 N 0.00 1.03 0.00 -0.61 2.04 -1.64 -3.13 117.51 115.19 1nqt h ILE 48 Ca 0.00 -2.75 -0.17 0.00 1.00 0.00 0.00 64.86 62.94 1nqt h ILE 48 Cb 0.00 2.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 1nqt h ILE 48 CO 0.00 0.74 -0.80 -0.07 0.00 0.00 0.00 178.15 178.02 1nqt h LEU 49 N 0.04 0.00 -1.35 1.44 3.38 -1.29 -1.13 115.31 116.41 1nqt h LEU 49 Ca -0.26 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1nqt h LEU 49 Cb 1.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 1nqt h LEU 49 CO 0.12 0.80 -0.26 0.03 0.09 0.00 0.00 178.44 179.23 1nqt h ARG 50 N 0.00 0.00 0.19 1.13 3.08 -1.58 -2.61 114.38 114.60 1nqt h ARG 50 Ca -0.01 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.78 1nqt h ARG 50 Cb 1.43 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.51 1nqt h ARG 50 CO 0.10 0.26 -1.15 0.82 -1.07 0.00 0.00 179.97 178.93 1nqt h ILE 51 N 0.00 1.39 0.43 2.04 2.04 -1.45 -3.37 117.51 118.59 1nqt h ILE 51 Ca -0.00 -2.59 -0.02 0.00 1.00 0.00 0.00 64.86 63.24 1nqt h ILE 51 Cb 0.64 3.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.80 1nqt h ILE 51 CO 0.03 0.76 -0.24 0.40 0.00 0.00 0.00 178.15 179.10 1nqt h ILE 52 N -0.08 0.00 -0.02 -0.67 2.04 -1.11 -3.36 117.51 114.32 1nqt h ILE 52 Ca -0.20 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1nqt h ILE 52 Cb 1.90 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1nqt h ILE 52 CO 0.22 0.00 -0.01 1.17 0.00 0.00 0.00 178.15 179.53 1nqt n LYS 53 N -3.81 -0.01 -2.86 2.37 4.81 -0.99 -4.54 118.16 113.12 1nqt n LYS 53 Ca -0.08 0.06 -0.40 0.00 -0.87 0.00 0.00 58.31 57.02 1nqt n LYS 53 Cb 0.25 -0.09 -0.05 0.00 0.02 0.00 0.00 35.03 35.16 1nqt n LYS 53 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1nqt s PRO 54 N -3.71 4.61 0.21 1.64 0.04 -1.26 -5.00 135.00 131.54 1nqt s PRO 54 Ca -0.00 1.26 -0.32 0.00 0.04 0.00 0.00 61.00 61.98 1nqt s PRO 54 Cb 0.00 -3.35 -0.13 0.00 0.04 0.00 0.00 34.50 31.05 1nqt s PRO 54 CO 0.01 0.29 1.51 0.00 0.04 0.00 0.00 177.00 178.86 1nqt h ASN 56 N 5.09 0.63 -3.83 0.00 2.35 -1.28 -3.46 115.58 115.08 1nqt h ASN 56 Ca -0.45 -0.69 -0.37 0.00 -0.55 0.00 0.00 56.30 54.23 1nqt h ASN 56 Cb 1.26 -0.21 -0.30 0.00 0.05 0.00 0.00 38.32 39.12 1nqt h ASN 56 CO 0.82 1.54 -0.77 -1.00 -1.65 0.00 0.00 177.43 176.38 1nqt s HIS 57 N -2.63 0.68 -0.09 1.19 3.76 -1.11 -5.06 115.29 112.02 1nqt s HIS 57 Ca -0.07 -0.15 -0.04 0.00 -0.15 0.00 0.00 55.06 54.66 1nqt s HIS 57 Cb 0.06 -0.49 0.05 0.00 1.11 0.00 0.00 32.58 33.31 1nqt s HIS 57 CO 0.91 -0.06 0.18 0.54 -0.85 0.00 0.00 174.74 175.47 1nqt s VAL 58 N 0.13 -0.27 -0.14 -0.90 0.11 -1.26 0.25 120.40 118.31 1nqt s VAL 58 Ca -0.01 0.32 -0.06 0.00 -2.93 0.00 0.00 61.98 59.30 1nqt s VAL 58 Cb -0.06 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 1nqt s VAL 58 CO -0.00 0.13 0.07 -0.22 -3.33 0.00 0.00 175.10 171.75 1nqt s LEU 59 N 2.20 3.93 -0.09 2.54 2.96 0.75 -4.99 118.68 125.98 1nqt s LEU 59 Ca 0.01 0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 1nqt s LEU 59 Cb -0.12 -1.96 0.02 0.00 0.50 0.00 0.00 46.19 44.63 1nqt s LEU 59 CO -0.06 0.28 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.70 1nqt s SER 60 N -0.29 1.99 0.12 3.68 0.01 -1.26 -1.11 113.70 116.85 1nqt s SER 60 Ca 0.09 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.06 1nqt s SER 60 Cb -0.12 -0.86 -0.04 0.00 0.21 0.00 0.00 66.02 65.21 1nqt s SER 60 CO 0.01 -0.03 -0.07 -1.48 0.41 0.00 0.00 173.24 172.09 1nqt s LEU 61 N 1.11 2.48 -0.02 2.44 2.34 -0.30 -5.01 118.68 121.71 1nqt s LEU 61 Ca -0.06 -1.02 0.07 0.00 0.06 0.00 0.00 54.13 53.17 1nqt s LEU 61 Cb -0.14 -0.14 -0.02 0.00 -0.56 0.00 0.00 46.19 45.33 1nqt s LEU 61 CO -0.02 -0.44 -0.22 -0.94 -1.06 0.00 0.00 176.35 173.67 1nqt s SER 62 N -3.09 2.60 -0.27 1.48 1.04 -1.26 -1.19 113.70 113.01 1nqt s SER 62 Ca 0.14 -0.40 -0.22 0.00 0.48 0.00 0.00 55.95 55.95 1nqt s SER 62 Cb 0.05 -0.34 0.07 0.00 0.10 0.00 0.00 66.02 65.90 1nqt s SER 62 CO -0.03 0.26 0.72 0.72 0.98 0.00 0.00 173.24 175.89 1nqt s PHE 63 N -0.46 -0.87 0.79 5.02 -0.12 0.21 -4.93 117.98 117.62 1nqt s PHE 63 Ca 0.07 1.98 -0.12 0.00 -0.05 0.00 0.00 56.93 58.82 1nqt s PHE 63 Cb -0.09 0.39 0.07 0.00 -0.63 0.00 0.00 43.02 42.76 1nqt s PHE 63 CO -0.00 -0.42 1.16 -1.25 -0.05 0.00 0.00 175.22 174.65 1nqt s PRO 64 N 0.77 2.08 -0.10 1.99 0.04 -1.26 0.98 135.00 139.50 1nqt s PRO 64 Ca -0.03 0.13 -0.30 0.00 0.04 0.00 0.00 61.00 60.84 1nqt s PRO 64 Cb -0.05 -1.97 0.09 0.00 0.04 0.00 0.00 34.50 32.60 1nqt s PRO 64 CO -0.06 -1.51 0.77 0.96 0.04 0.00 0.00 177.00 177.20 1nqt s ILE 65 N -3.53 0.00 -0.46 0.56 -4.36 -0.53 -4.84 121.20 108.04 1nqt s ILE 65 Ca 0.61 0.00 -0.15 0.00 -0.26 0.00 0.00 60.65 60.85 1nqt s ILE 65 Cb -0.11 -1.00 0.06 0.00 1.25 0.00 0.00 42.46 42.66 1nqt s ILE 65 CO 0.49 0.00 0.38 -0.13 0.24 0.00 0.00 174.94 175.92 1nqt s ARG 66 N -0.99 2.98 1.11 0.37 0.52 -1.26 -2.22 118.95 119.46 1nqt s ARG 66 Ca -0.07 -1.28 -0.19 0.00 -0.52 0.00 0.00 55.73 53.67 1nqt s ARG 66 Cb -0.01 -4.11 0.12 0.00 0.52 0.00 0.00 34.95 31.47 1nqt s ARG 66 CO 0.07 -0.98 0.02 0.54 0.02 0.00 0.00 175.30 174.96 1nqt n ARG 67 N 5.22 -1.79 0.07 3.54 1.74 -0.62 -4.83 116.66 120.00 1nqt n ARG 67 Ca -0.12 -0.51 0.11 0.00 -0.77 0.00 0.00 57.85 56.56 1nqt n ARG 67 Cb 0.44 -1.65 0.44 0.00 -1.02 0.00 0.00 32.46 30.68 1nqt n ARG 67 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1nqt n ASP 68 N -1.58 0.42 0.07 0.55 8.00 -1.26 -2.65 116.55 120.11 1nqt n ASP 68 Ca 0.02 0.58 -0.10 0.00 0.71 0.00 0.00 54.79 56.00 1nqt n ASP 68 Cb 0.59 -0.68 -0.13 0.00 -0.02 0.00 0.00 41.12 40.88 1nqt n ASP 68 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 1nqt h ASP 69 N 0.00 0.14 0.00 -2.24 3.04 -2.04 -3.47 116.42 111.85 1nqt h ASP 69 Ca 0.00 -0.15 0.00 0.00 -3.24 0.00 0.00 57.03 53.64 1nqt h ASP 69 Cb 0.42 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 38.66 1nqt h ASP 69 CO 0.00 1.12 0.00 0.61 -2.04 0.00 0.00 179.24 178.93 1nqt n GLY 70 N 1.42 0.66 3.85 7.15 0.00 -1.08 -5.13 105.19 112.05 1nqt n GLY 70 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1nqt n GLY 70 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nqt s SER 71 N -0.34 6.72 0.40 1.61 0.15 -1.26 -4.83 113.70 116.14 1nqt s SER 71 Ca 0.00 1.26 -0.07 0.00 0.70 0.00 0.00 55.95 57.84 1nqt s SER 71 Cb 0.00 -2.37 -0.05 0.00 -1.71 0.00 0.00 66.02 61.89 1nqt s SER 71 CO 0.00 -0.26 0.71 0.26 1.20 0.00 0.00 173.24 175.16 1nqt s TRP 72 N -2.08 3.50 -0.28 3.44 0.51 -1.26 -1.59 118.94 121.18 1nqt s TRP 72 Ca 0.54 0.85 -0.16 0.00 -2.12 0.00 0.00 56.10 55.21 1nqt s TRP 72 Cb -0.10 -2.30 0.09 0.00 -0.81 0.00 0.00 33.47 30.35 1nqt s TRP 72 CO 0.20 -0.08 0.73 -2.00 -0.51 0.00 0.00 176.95 175.30 1nqt s GLU 73 N -4.06 0.65 0.10 4.98 2.12 -0.94 -4.91 118.70 116.64 1nqt s GLU 73 Ca 0.48 1.15 -0.15 0.00 0.36 0.00 0.00 54.97 56.81 1nqt s GLU 73 Cb -0.10 0.16 -0.07 0.00 0.26 0.00 0.00 34.13 34.38 1nqt s GLU 73 CO 0.35 -0.14 0.51 0.14 -0.54 0.00 0.00 175.26 175.58 1nqt s VAL 74 N 1.65 4.90 0.08 3.70 -7.23 -1.26 -1.45 120.40 120.79 1nqt s VAL 74 Ca -0.10 0.85 0.08 0.00 -1.81 0.00 0.00 61.98 61.00 1nqt s VAL 74 Cb -0.05 -3.75 -0.04 0.00 0.56 0.00 0.00 36.38 33.10 1nqt s VAL 74 CO -0.19 0.36 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.15 1nqt s ILE 75 N -1.33 2.83 -0.04 -0.62 1.01 0.27 -4.89 121.20 118.44 1nqt s ILE 75 Ca 0.33 -1.36 0.06 0.00 0.00 0.00 0.00 60.65 59.68 1nqt s ILE 75 Cb -0.16 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 1nqt s ILE 75 CO 0.18 0.20 -0.23 -1.61 0.00 0.00 0.00 174.94 173.48 1nqt s GLU 76 N -1.84 2.37 0.36 2.79 2.02 -1.26 -0.62 118.70 122.52 1nqt s GLU 76 Ca 0.17 -0.88 -0.14 0.00 0.02 0.00 0.00 54.97 54.14 1nqt s GLU 76 Cb -0.11 -2.16 0.04 0.00 0.10 0.00 0.00 34.13 32.01 1nqt s GLU 76 CO 0.08 0.49 0.71 0.20 0.02 0.00 0.00 175.26 176.76 1nqt s GLY 77 N -0.44 0.54 -0.06 -1.39 0.00 -0.33 -0.84 107.32 104.80 1nqt s GLY 77 Ca 0.05 -0.86 -0.30 0.00 0.00 0.00 0.00 44.72 43.61 1nqt s GLY 77 CO 0.01 -0.43 0.77 -0.19 0.00 0.00 0.00 173.10 173.26 1nqt s TYR 78 N -2.69 -0.56 -0.01 1.90 1.51 0.22 -1.15 117.35 116.58 1nqt s TYR 78 Ca 0.18 0.89 0.04 0.00 -1.01 0.00 0.00 57.07 57.17 1nqt s TYR 78 Cb -0.04 0.44 -0.01 0.00 -0.11 0.00 0.00 41.96 42.24 1nqt s TYR 78 CO 0.13 -0.55 -0.12 0.50 -1.11 0.00 0.00 175.55 174.40 1nqt s ARG 79 N -1.44 1.00 -0.08 -0.62 3.52 -0.26 0.75 118.95 121.81 1nqt s ARG 79 Ca -0.07 -0.42 0.03 0.00 -0.13 0.00 0.00 55.73 55.14 1nqt s ARG 79 Cb -0.00 -0.96 0.01 0.00 -1.56 0.00 0.00 34.95 32.44 1nqt s ARG 79 CO 0.05 0.24 -0.17 0.00 -0.81 0.00 0.00 175.30 174.61 1nqt s ALA 80 N -0.22 1.63 -0.27 6.12 0.00 0.14 -0.18 121.76 128.99 1nqt s ALA 80 Ca 0.04 -0.64 -0.08 0.00 0.00 0.00 0.00 51.96 51.28 1nqt s ALA 80 Cb -0.05 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1nqt s ALA 80 CO -0.00 0.19 0.10 -0.65 0.00 0.00 0.00 175.76 175.39 1nqt s GLN 81 N 0.53 3.60 -0.06 0.00 -0.21 0.14 -1.31 119.66 122.34 1nqt s GLN 81 Ca -0.16 -0.53 -0.15 0.00 0.02 0.00 0.00 55.36 54.54 1nqt s GLN 81 Cb -0.17 -3.41 -0.10 0.00 1.00 0.00 0.00 33.01 30.33 1nqt s GLN 81 CO 0.06 -0.24 0.59 1.25 -2.12 0.00 0.00 175.29 174.82 1nqt h HIS 82 N 8.27 -0.25 -3.23 0.91 -0.00 0.51 -2.92 115.15 118.44 1nqt h HIS 82 Ca -0.36 -0.01 -0.40 0.00 -0.00 0.00 0.00 60.37 59.60 1nqt h HIS 82 Cb 1.17 0.08 -0.15 0.00 -0.00 0.00 0.00 27.41 28.51 1nqt h HIS 82 CO 0.67 0.05 -0.73 0.45 -0.00 0.00 0.00 177.93 178.37 1nqt s SER 83 N -5.36 2.16 -0.02 3.26 0.15 -1.22 -1.97 113.70 110.70 1nqt s SER 83 Ca -0.09 -0.97 0.03 0.00 0.70 0.00 0.00 55.95 55.63 1nqt s SER 83 Cb 0.00 -0.07 0.05 0.00 -1.71 0.00 0.00 66.02 64.28 1nqt s SER 83 CO 0.30 -0.22 0.87 1.41 1.20 0.00 0.00 173.24 176.80 1nqt n HIS 84 N -0.09 0.00 -0.32 3.44 -0.00 -1.26 -4.18 115.22 112.81 1nqt n HIS 84 Ca -0.11 -0.36 0.10 0.00 -0.00 0.00 0.00 57.72 57.35 1nqt n HIS 84 Cb 0.60 -0.05 0.26 0.00 -0.00 0.00 0.00 29.99 30.80 1nqt n HIS 84 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 176.34 175.78 1nqt h GLN 85 N 0.00 0.66 -4.91 -0.41 3.07 -1.96 -3.28 115.11 108.28 1nqt h GLN 85 Ca 0.00 -0.04 -0.67 0.00 0.09 0.00 0.00 58.65 58.03 1nqt h GLN 85 Cb 0.85 -0.15 -0.31 0.00 0.08 0.00 0.00 27.48 27.94 1nqt h GLN 85 CO 0.00 0.43 -0.74 0.50 0.09 0.00 0.00 178.83 179.11 1nqt s ARG 86 N -5.92 2.88 0.00 0.06 6.06 -1.26 -4.98 118.95 115.78 1nqt s ARG 86 Ca -0.12 -0.95 0.00 0.00 -2.50 0.00 0.00 55.73 52.16 1nqt s ARG 86 Cb 0.23 -3.00 0.00 0.00 0.06 0.00 0.00 34.95 32.24 1nqt s ARG 86 CO 0.79 -0.39 0.26 2.41 -2.50 0.00 0.00 175.30 175.87 1nqt n THR 87 N 4.69 0.00 -1.92 4.11 -1.04 -1.24 -2.86 114.28 116.02 1nqt n THR 87 Ca -0.16 0.52 -0.38 0.00 -2.04 0.00 0.00 64.05 61.99 1nqt n THR 87 Cb 0.47 -0.78 -0.03 0.00 -1.82 0.00 0.00 70.33 68.17 1nqt n THR 87 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1nqt s PRO 88 N -1.01 2.53 0.42 -2.82 0.04 -1.24 -4.74 135.00 128.18 1nqt s PRO 88 Ca 0.00 0.85 -0.26 0.00 0.04 0.00 0.00 61.00 61.64 1nqt s PRO 88 Cb 0.00 -4.43 -0.10 0.00 0.04 0.00 0.00 34.50 30.02 1nqt s PRO 88 CO 0.00 -2.82 1.30 0.00 0.04 0.00 0.00 177.00 175.52 1nqt s LYS 90 N -2.23 1.21 0.00 0.00 2.47 0.16 0.56 119.74 121.91 1nqt s LYS 90 Ca 0.61 -1.33 0.00 0.00 -1.56 0.00 0.00 55.97 53.69 1nqt s LYS 90 Cb -0.50 -1.31 0.00 0.00 -1.46 0.00 0.00 37.83 34.56 1nqt s LYS 90 CO 0.58 0.28 0.00 0.41 0.16 0.00 0.00 175.35 176.78 1nqt n GLY 91 N 0.53 3.78 3.92 5.54 0.00 -1.21 -0.11 105.19 117.64 1nqt n GLY 91 Ca -0.15 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.93 1nqt n GLY 91 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nqt s GLY 92 N 0.00 1.66 -0.08 -0.02 0.00 -1.26 -2.81 107.32 104.81 1nqt s GLY 92 Ca 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 43.89 1nqt s GLY 92 CO 0.00 -0.40 -0.16 -0.42 0.00 0.00 0.00 173.10 172.12 1nqt s ILE 93 N -3.40 2.89 -0.07 0.90 1.01 0.24 -0.81 121.20 121.96 1nqt s ILE 93 Ca 0.62 -0.76 0.05 0.00 0.00 0.00 0.00 60.65 60.56 1nqt s ILE 93 Cb -0.10 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.21 1nqt s ILE 93 CO 0.47 0.56 -0.23 -0.60 0.00 0.00 0.00 174.94 175.14 1nqt s ARG 94 N -0.25 2.53 -0.48 2.79 3.52 -0.52 -3.16 118.95 123.39 1nqt s ARG 94 Ca 0.01 -0.84 -0.02 0.00 -0.13 0.00 0.00 55.73 54.75 1nqt s ARG 94 Cb -0.13 -2.09 0.13 0.00 -1.56 0.00 0.00 34.95 31.30 1nqt s ARG 94 CO 0.03 0.31 0.27 0.71 -0.81 0.00 0.00 175.30 175.81 1nqt s TYR 95 N 0.00 3.52 -0.28 5.12 4.12 -1.26 0.31 117.35 128.88 1nqt s TYR 95 Ca -0.07 -2.63 -0.23 0.00 0.02 0.00 0.00 57.07 54.16 1nqt s TYR 95 Cb -0.14 -3.16 0.09 0.00 -1.52 0.00 0.00 41.96 37.22 1nqt s TYR 95 CO 0.05 -0.91 0.81 0.45 0.02 0.00 0.00 175.55 175.96 1nqt s SER 96 N 1.21 -0.70 0.00 2.29 0.15 -0.85 -4.60 113.70 111.21 1nqt s SER 96 Ca 0.12 1.28 0.00 0.00 0.70 0.00 0.00 55.95 58.05 1nqt s SER 96 Cb -0.22 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.39 1nqt s SER 96 CO -0.04 -0.22 0.48 0.41 1.20 0.00 0.00 173.24 175.08 1nqt n THR 97 N 2.92 0.15 -0.02 6.45 -1.04 -0.02 -1.72 114.28 120.99 1nqt n THR 97 Ca -0.15 0.04 0.07 0.00 -2.04 0.00 0.00 64.05 61.97 1nqt n THR 97 Cb 0.56 -1.04 -0.16 0.00 -1.82 0.00 0.00 70.33 67.87 1nqt n THR 97 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1nqt n ASP 98 N -0.98 0.31 -4.49 8.00 5.68 -1.26 -4.90 116.55 118.91 1nqt n ASP 98 Ca 0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 54.79 53.77 1nqt n ASP 98 Cb 0.01 1.77 -0.05 0.00 -1.14 0.00 0.00 41.12 41.70 1nqt n ASP 98 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1nqt n VAL 99 N -2.30 1.02 -4.17 2.12 0.24 -0.70 -4.99 118.33 109.55 1nqt n VAL 99 Ca -0.09 -0.25 -0.17 0.00 -2.04 0.00 0.00 64.34 61.79 1nqt n VAL 99 Cb 0.64 -0.27 -0.12 0.00 -1.47 0.00 0.00 33.84 32.62 1nqt n VAL 99 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1nqt s SER 100 N -0.37 1.33 0.09 -1.34 0.15 -1.26 -4.87 113.70 107.44 1nqt s SER 100 Ca 0.75 -0.53 -0.25 0.00 0.70 0.00 0.00 55.95 56.62 1nqt s SER 100 Cb -1.01 -0.03 -0.09 0.00 -1.71 0.00 0.00 66.02 63.17 1nqt s SER 100 CO 0.55 -0.09 1.40 0.58 1.20 0.00 0.00 173.24 176.89 1nqt h VAL 101 N 4.44 0.00 -1.28 4.45 2.07 -1.98 0.16 116.25 124.11 1nqt h VAL 101 Ca -0.38 0.00 0.40 0.00 0.82 0.00 0.00 66.70 67.54 1nqt h VAL 101 Cb 1.19 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.85 1nqt h VAL 101 CO 0.42 0.00 0.84 0.44 0.02 0.00 0.00 177.57 179.28 1nqt h ASP 102 N -0.39 0.26 0.21 0.57 5.19 -1.98 0.23 116.42 120.51 1nqt h ASP 102 Ca 0.03 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 1nqt h ASP 102 Cb 0.48 0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.08 1nqt h ASP 102 CO -0.36 -0.11 -0.10 -0.08 -3.12 0.00 0.00 179.24 175.48 1nqt h GLU 103 N 0.14 -0.27 0.04 3.56 4.81 -1.13 -1.51 114.58 120.22 1nqt h GLU 103 Ca 0.76 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 60.04 1nqt h GLU 103 Cb 2.38 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 31.77 1nqt h GLU 103 CO -0.35 0.11 -0.40 0.28 -0.73 0.00 0.00 179.01 177.92 1nqt h VAL 104 N -0.76 0.18 -0.90 0.32 2.07 -0.08 0.20 116.25 117.28 1nqt h VAL 104 Ca -0.03 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.74 1nqt h VAL 104 Cb 0.51 0.18 -0.14 0.00 -1.52 0.00 0.00 31.29 30.32 1nqt h VAL 104 CO 0.05 0.00 0.33 0.11 0.02 0.00 0.00 177.57 178.08 1nqt h LYS 105 N -0.58 0.27 0.69 1.57 1.57 -0.64 0.31 116.57 119.75 1nqt h LYS 105 Ca 0.04 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1nqt h LYS 105 Cb 0.65 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.90 1nqt h LYS 105 CO -0.28 0.18 -0.33 0.00 -0.57 0.00 0.00 179.45 178.44 1nqt h ALA 106 N 1.77 -0.92 -0.30 3.86 0.00 0.06 -2.40 119.26 121.33 1nqt h ALA 106 Ca 0.58 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.34 1nqt h ALA 106 Cb 1.19 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 19.26 1nqt h ALA 106 CO -0.61 -0.91 -0.18 -0.07 0.00 0.00 0.00 179.25 177.48 1nqt h LEU 107 N -1.14 -0.59 -0.92 0.00 3.38 0.37 0.23 115.31 116.63 1nqt h LEU 107 Ca -0.09 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.11 1nqt h LEU 107 Cb 0.74 0.31 -0.13 0.00 0.09 0.00 0.00 40.66 41.67 1nqt h LEU 107 CO 0.15 -0.21 -0.52 0.00 0.09 0.00 0.00 178.44 177.95 1nqt h ALA 108 N 1.05 -0.35 -0.90 1.53 0.00 -0.42 0.59 119.26 120.76 1nqt h ALA 108 Ca 0.16 0.15 0.22 0.00 0.00 0.00 0.00 54.91 55.44 1nqt h ALA 108 Cb 0.38 1.23 -0.16 0.00 0.00 0.00 0.00 17.79 19.24 1nqt h ALA 108 CO -0.39 -0.87 -0.01 1.03 0.00 0.00 0.00 179.25 179.02 1nqt h SER 109 N -0.05 -0.47 -0.66 0.00 0.87 -0.47 0.66 113.55 113.43 1nqt h SER 109 Ca 0.21 0.25 -0.07 0.00 -1.23 0.00 0.00 61.79 60.95 1nqt h SER 109 Cb 0.49 0.44 -0.03 0.00 -0.44 0.00 0.00 62.40 62.86 1nqt h SER 109 CO -0.91 -0.28 0.16 0.25 -0.53 0.00 0.00 176.83 175.52 1nqt h LEU 110 N 0.05 1.01 -0.89 2.23 5.85 0.14 -3.04 115.31 120.67 1nqt h LEU 110 Ca 0.51 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 59.02 1nqt h LEU 110 Cb 0.97 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 1nqt h LEU 110 CO -0.83 0.98 0.58 0.24 -0.34 0.00 0.00 178.44 179.07 1nqt h MET 111 N 0.99 1.12 0.02 1.25 2.86 0.21 0.20 114.93 121.56 1nqt h MET 111 Ca 0.21 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1nqt h MET 111 Cb 0.37 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 1nqt h MET 111 CO 0.00 0.74 -0.16 1.79 1.06 0.00 0.00 176.91 180.34 1nqt h THR 112 N 1.15 0.61 -0.46 2.22 1.35 -1.31 -1.25 112.91 115.23 1nqt h THR 112 Ca 0.34 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.17 1nqt h THR 112 Cb -0.06 0.61 -0.02 0.00 -1.73 0.00 0.00 68.15 66.96 1nqt h THR 112 CO -0.10 0.00 0.18 1.88 -0.25 0.00 0.00 175.52 177.23 1nqt h TYR 113 N -0.27 0.71 -0.37 4.73 0.05 -1.52 -2.27 116.97 118.03 1nqt h TYR 113 Ca 0.05 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1nqt h TYR 113 Cb 0.33 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1nqt h TYR 113 CO -0.20 0.61 0.19 -0.22 -1.05 0.00 0.00 178.16 177.48 1nqt h LYS 114 N 0.61 0.50 -0.20 4.88 3.64 -0.46 -0.79 116.57 124.75 1nqt h LYS 114 Ca 0.15 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.31 1nqt h LYS 114 Cb 0.20 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1nqt h LYS 114 CO -0.01 0.39 -0.58 0.00 -2.27 0.00 0.00 179.45 176.98 1nqt h ALA 116 N 0.59 -0.07 -0.93 0.00 0.00 -0.88 0.49 119.26 118.46 1nqt h ALA 116 Ca -0.02 0.00 0.27 0.00 0.00 0.00 0.00 54.91 55.17 1nqt h ALA 116 Cb 1.20 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 1nqt h ALA 116 CO 0.12 -0.56 0.36 0.28 0.00 0.00 0.00 179.25 179.46 1nqt h VAL 117 N -0.11 0.31 -0.99 0.00 2.07 -1.02 0.29 116.25 116.79 1nqt h VAL 117 Ca 0.02 -0.09 -0.64 0.00 0.82 0.00 0.00 66.70 66.81 1nqt h VAL 117 Cb 0.14 0.03 -0.34 0.00 -1.52 0.00 0.00 31.29 29.60 1nqt h VAL 117 CO -0.06 0.05 0.31 1.33 0.02 0.00 0.00 177.57 179.22 1nqt n VAL 118 N -5.16 3.25 -3.79 2.57 0.24 -0.99 -4.73 118.33 109.73 1nqt n VAL 118 Ca 0.25 -3.47 -0.24 0.00 -2.04 0.00 0.00 64.34 58.84 1nqt n VAL 118 Cb 0.79 -1.16 -0.02 0.00 -1.47 0.00 0.00 33.84 31.98 1nqt n VAL 118 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1nqt n ASP 119 N -0.82 -1.15 -4.43 -1.34 8.00 0.10 -4.91 116.55 112.00 1nqt n ASP 119 Ca 0.56 -0.76 -0.35 0.00 0.71 0.00 0.00 54.79 54.94 1nqt n ASP 119 Cb 0.73 -0.93 -0.13 0.00 -0.02 0.00 0.00 41.12 40.78 1nqt n ASP 119 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1nqt s VAL 120 N -4.00 3.99 0.00 2.53 1.01 0.11 -5.02 120.40 119.02 1nqt s VAL 120 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1nqt s VAL 120 Cb -0.09 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1nqt s VAL 120 CO 0.58 0.40 0.67 -0.81 0.00 0.00 0.00 175.10 175.94 1nqt n PRO 121 N 4.52 0.43 -4.29 2.72 -0.04 -1.26 -4.30 135.00 132.78 1nqt n PRO 121 Ca -0.17 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.03 1nqt n PRO 121 Cb 0.52 -1.29 -0.09 0.00 -0.04 0.00 0.00 33.50 32.60 1nqt n PRO 121 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1nqt s PHE 122 N 0.91 2.66 -0.07 0.54 2.99 -1.26 -4.51 117.98 119.23 1nqt s PHE 122 Ca 0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 56.93 56.61 1nqt s PHE 122 Cb 0.00 -1.27 -0.05 0.00 0.00 0.00 0.00 43.02 41.70 1nqt s PHE 122 CO 0.00 0.54 0.25 0.20 -0.00 0.00 0.00 175.22 176.21 1nqt s GLY 123 N -3.02 2.29 0.12 4.36 0.00 -1.14 -4.79 107.32 105.15 1nqt s GLY 123 Ca 0.27 -0.47 -0.33 0.00 0.00 0.00 0.00 44.72 44.19 1nqt s GLY 123 CO 0.16 -0.13 1.71 0.61 0.00 0.00 0.00 173.10 175.45 1nqt n GLY 124 N 1.99 1.38 3.22 0.20 0.00 -1.26 0.37 105.19 111.09 1nqt n GLY 124 Ca -0.17 0.69 -0.09 0.00 0.00 0.00 0.00 46.02 46.45 1nqt n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqt s ALA 125 N 1.84 0.46 -0.21 4.61 0.00 0.85 0.33 121.76 129.63 1nqt s ALA 125 Ca 0.81 -1.19 -0.27 0.00 0.00 0.00 0.00 51.96 51.31 1nqt s ALA 125 Cb -0.60 0.81 0.11 0.00 0.00 0.00 0.00 23.12 23.44 1nqt s ALA 125 CO 0.39 -0.54 0.93 0.21 0.00 0.00 0.00 175.76 176.75 1nqt s LYS 126 N -4.00 0.65 0.14 0.00 2.47 -0.43 -4.00 119.74 114.56 1nqt s LYS 126 Ca 0.19 0.48 0.05 0.00 -1.56 0.00 0.00 55.97 55.13 1nqt s LYS 126 Cb 0.06 0.31 -0.04 0.00 -1.46 0.00 0.00 37.83 36.70 1nqt s LYS 126 CO -0.00 -0.14 -0.12 0.00 0.16 0.00 0.00 175.35 175.25 1nqt s ALA 127 N -0.33 1.47 -0.21 3.13 0.00 0.01 0.28 121.76 126.10 1nqt s ALA 127 Ca -0.01 -1.39 -0.14 0.00 0.00 0.00 0.00 51.96 50.43 1nqt s ALA 127 Cb -0.03 -0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.14 1nqt s ALA 127 CO -0.01 -0.00 0.53 0.20 0.00 0.00 0.00 175.76 176.48 1nqt s GLY 128 N -2.82 -0.44 -0.22 0.00 0.00 0.23 -1.43 107.32 102.64 1nqt s GLY 128 Ca 0.13 1.79 -0.01 0.00 0.00 0.00 0.00 44.72 46.62 1nqt s GLY 128 CO 0.02 1.79 -0.10 0.14 0.00 0.00 0.00 173.10 174.95 1nqt s VAL 129 N 1.15 2.75 -0.06 1.40 1.01 0.15 -0.61 120.40 126.20 1nqt s VAL 129 Ca -0.07 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 60.83 1nqt s VAL 129 Cb -0.06 -2.29 -0.26 0.00 0.00 0.00 0.00 36.38 33.76 1nqt s VAL 129 CO -0.11 0.36 1.46 1.17 0.00 0.00 0.00 175.10 177.98 1nqt n LYS 130 N 4.68 0.12 -4.23 2.72 4.81 -0.02 -2.00 118.16 124.24 1nqt n LYS 130 Ca -0.18 -0.92 -0.13 0.00 -0.87 0.00 0.00 58.31 56.21 1nqt n LYS 130 Cb 0.49 -2.39 -0.10 0.00 0.02 0.00 0.00 35.03 33.05 1nqt n LYS 130 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1nqt s ILE 131 N 6.31 0.33 -0.39 3.15 1.09 -1.25 -4.67 121.20 125.76 1nqt s ILE 131 Ca 0.50 -1.98 0.01 0.00 -1.10 0.00 0.00 60.65 58.08 1nqt s ILE 131 Cb 0.11 -2.35 0.13 0.00 -1.06 0.00 0.00 42.46 39.29 1nqt s ILE 131 CO 0.24 -0.21 0.21 0.21 -0.10 0.00 0.00 174.94 175.29 1nqt s ASN 132 N -3.18 3.39 0.52 3.58 3.84 -1.26 -0.84 114.94 120.98 1nqt s ASN 132 Ca 0.32 -2.32 0.07 0.00 0.21 0.00 0.00 52.86 51.13 1nqt s ASN 132 Cb 0.07 -0.73 0.23 0.00 -0.55 0.00 0.00 41.25 40.27 1nqt s ASN 132 CO 0.08 -0.30 0.88 -2.65 -2.79 0.00 0.00 177.10 172.33 1nqt n PRO 133 N 3.91 0.02 0.09 0.43 -0.02 -1.26 0.14 135.00 138.30 1nqt n PRO 133 Ca 0.09 0.79 -0.07 0.00 -2.02 0.00 0.00 63.50 62.29 1nqt n PRO 133 Cb 0.36 -2.07 0.05 0.00 -0.02 0.00 0.00 33.50 31.82 1nqt n PRO 133 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1nqt h LYS 134 N 0.00 0.21 -0.00 -0.52 1.79 -1.97 -3.06 116.57 113.02 1nqt h LYS 134 Ca 0.12 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1nqt h LYS 134 Cb 1.86 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.55 1nqt h LYS 134 CO -0.00 0.87 0.00 0.09 -1.08 0.00 0.00 179.45 179.33 1nqt n ASN 135 N -3.75 0.21 -4.31 0.86 3.02 0.37 -4.84 115.26 106.82 1nqt n ASN 135 Ca -0.03 -1.11 -0.24 0.00 -0.03 0.00 0.00 54.58 53.16 1nqt n ASN 135 Cb 0.73 -0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.77 1nqt n ASN 135 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1nqt s TYR 136 N -2.00 1.89 0.54 3.10 2.02 -1.16 -5.07 117.35 116.67 1nqt s TYR 136 Ca 0.45 -0.42 -0.12 0.00 -0.37 0.00 0.00 57.07 56.61 1nqt s TYR 136 Cb 0.21 -1.01 -0.06 0.00 -0.40 0.00 0.00 41.96 40.70 1nqt s TYR 136 CO 0.35 0.25 0.95 0.95 -1.57 0.00 0.00 175.55 176.48 1nqt s THR 137 N -1.30 4.68 0.38 -0.71 -4.23 -1.26 -4.75 115.64 108.45 1nqt s THR 137 Ca 0.09 0.88 0.18 0.00 -1.18 0.00 0.00 61.69 61.66 1nqt s THR 137 Cb -0.09 -3.80 0.38 0.00 1.34 0.00 0.00 72.50 70.33 1nqt s THR 137 CO 0.05 -0.87 1.72 0.44 -0.54 0.00 0.00 174.62 175.42 1nqt h ASP 138 N 0.39 0.47 0.78 3.99 5.19 -1.99 0.53 116.42 125.77 1nqt h ASP 138 Ca -0.46 0.12 -0.11 0.00 -0.62 0.00 0.00 57.03 55.96 1nqt h ASP 138 Cb 1.19 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.74 1nqt h ASP 138 CO 0.62 0.00 -0.55 -1.13 -3.12 0.00 0.00 179.24 175.07 1nqt h ASN 139 N 0.36 0.00 0.13 6.45 -0.73 -2.00 -2.58 115.58 117.22 1nqt h ASN 139 Ca 0.67 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.65 1nqt h ASN 139 Cb 1.67 0.00 0.02 0.00 0.27 0.00 0.00 38.32 40.28 1nqt h ASN 139 CO -0.40 0.55 -0.82 -0.33 -0.37 0.00 0.00 177.43 176.05 1nqt h GLU 140 N 0.00 0.28 -0.03 6.67 5.08 -0.46 -2.99 114.58 123.14 1nqt h GLU 140 Ca -0.01 -0.49 0.02 0.00 -1.00 0.00 0.00 59.36 57.88 1nqt h GLU 140 Cb 1.08 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 1nqt h GLU 140 CO 0.07 1.23 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.88 1nqt h LEU 141 N -0.39 -1.12 -0.56 1.33 3.38 -0.67 0.83 115.31 118.10 1nqt h LEU 141 Ca -0.15 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1nqt h LEU 141 Cb 1.63 0.43 -0.07 0.00 0.09 0.00 0.00 40.66 42.74 1nqt h LEU 141 CO 0.14 -0.34 -0.33 1.21 0.09 0.00 0.00 178.44 179.21 1nqt n GLU 142 N -4.46 -0.24 -0.37 1.13 2.13 -0.97 0.20 120.64 118.05 1nqt n GLU 142 Ca -0.05 1.22 -0.06 0.00 0.66 0.00 0.00 57.16 58.94 1nqt n GLU 142 Cb 0.26 -1.81 -0.04 0.00 0.27 0.00 0.00 31.44 30.12 1nqt n GLU 142 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1nqt n LYS 143 N -4.26 -0.32 0.12 5.31 4.76 -0.83 -0.83 118.16 122.10 1nqt n LYS 143 Ca 0.01 1.38 -0.15 0.00 -2.87 0.00 0.00 58.31 56.67 1nqt n LYS 143 Cb 0.14 -2.03 -0.09 0.00 -1.84 0.00 0.00 35.03 31.21 1nqt n LYS 143 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1nqt h ILE 144 N 0.00 0.07 -0.02 -0.18 2.04 0.22 -2.17 117.51 117.47 1nqt h ILE 144 Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 1nqt h ILE 144 Cb 0.44 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1nqt h ILE 144 CO -0.87 0.00 -0.02 0.71 0.00 0.00 0.00 178.15 177.97 1nqt h THR 145 N -0.72 0.00 -0.82 -0.27 1.35 0.97 -0.56 112.91 112.87 1nqt h THR 145 Ca 0.01 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.96 1nqt h THR 145 Cb 0.73 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 67.04 1nqt h THR 145 CO -0.27 0.00 -0.42 0.54 -0.25 0.00 0.00 175.52 175.12 1nqt n ARG 146 N -2.84 -0.30 -0.18 4.72 1.74 -0.62 0.21 116.66 119.39 1nqt n ARG 146 Ca -0.00 1.24 0.02 0.00 -0.77 0.00 0.00 57.85 58.34 1nqt n ARG 146 Cb 0.01 -1.84 0.28 0.00 -1.02 0.00 0.00 32.46 29.90 1nqt n ARG 146 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nqt h ARG 147 N 0.00 0.89 0.14 5.56 3.08 -1.05 -0.58 114.38 122.42 1nqt h ARG 147 Ca 0.19 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1nqt h ARG 147 Cb 0.39 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 1nqt h ARG 147 CO -0.78 0.59 -0.27 0.35 -1.07 0.00 0.00 179.97 178.79 1nqt h PHE 148 N 0.92 -0.72 -0.09 3.04 3.57 0.40 -2.01 116.94 122.06 1nqt h PHE 148 Ca 0.26 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.79 1nqt h PHE 148 Cb -0.07 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1nqt h PHE 148 CO -0.00 -0.37 -0.10 1.15 -2.23 0.00 0.00 178.31 176.75 1nqt h THR 149 N -0.49 0.00 0.00 4.41 2.02 0.25 0.36 112.91 119.46 1nqt h THR 149 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1nqt h THR 149 Cb 0.51 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1nqt h THR 149 CO -0.14 0.00 0.00 0.23 0.37 0.00 0.00 175.52 175.98 1nqt n MET 150 N -3.23 0.00 -0.25 6.66 2.81 -0.35 0.32 117.12 123.07 1nqt n MET 150 Ca -0.00 0.81 0.04 0.00 -1.81 0.00 0.00 57.70 56.73 1nqt n MET 150 Cb 0.06 -1.22 0.17 0.00 -0.71 0.00 0.00 33.22 31.52 1nqt n MET 150 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1nqt h GLU 151 N 0.00 0.49 -0.18 0.03 4.39 -1.08 0.18 114.58 118.41 1nqt h GLU 151 Ca 0.00 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.72 1nqt h GLU 151 Cb 0.00 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1nqt h GLU 151 CO 0.00 0.32 0.19 1.25 -1.16 0.00 0.00 179.01 179.61 1nqt h LEU 152 N 0.50 0.00 0.00 1.33 5.85 0.31 -2.55 115.31 120.75 1nqt h LEU 152 Ca 0.40 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.11 1nqt h LEU 152 Cb 0.54 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 1nqt h LEU 152 CO -0.36 0.00 -0.34 0.00 -0.34 0.00 0.00 178.44 177.40 1nqt h ALA 153 N 1.79 0.00 -0.14 1.25 0.00 0.25 0.84 119.26 123.25 1nqt h ALA 153 Ca 0.09 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1nqt h ALA 153 Cb 0.47 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1nqt h ALA 153 CO -0.00 0.34 0.69 0.87 0.00 0.00 0.00 179.25 181.14 1nqt h LYS 154 N -1.00 0.00 -0.22 0.00 1.57 -0.52 0.07 116.57 116.47 1nqt h LYS 154 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nqt h LYS 154 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1nqt h LYS 154 CO -0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 1nqt n LYS 155 N -2.85 2.79 -2.30 3.15 4.76 -0.99 -5.00 118.16 117.72 1nqt n LYS 155 Ca 0.02 -2.11 0.00 0.00 -2.87 0.00 0.00 58.31 53.35 1nqt n LYS 155 Cb 0.75 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.61 1nqt n LYS 155 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nqt n GLY 156 N -0.06 0.73 0.06 0.72 0.00 0.01 -4.97 105.19 101.68 1nqt n GLY 156 Ca 0.11 -0.76 0.04 0.00 0.00 0.00 0.00 46.02 45.41 1nqt n GLY 156 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nqt n PHE 157 N -3.08 0.00 -3.67 1.61 3.72 0.29 -4.78 117.46 111.54 1nqt n PHE 157 Ca 0.00 -0.66 -0.11 0.00 -0.05 0.00 0.00 57.45 56.63 1nqt n PHE 157 Cb 0.50 -0.09 -0.09 0.00 -0.94 0.00 0.00 39.48 38.86 1nqt n PHE 157 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1nqt s ILE 158 N -1.71 -0.01 0.00 4.37 -1.16 -0.87 -4.75 121.20 117.07 1nqt s ILE 158 Ca 0.14 0.03 0.00 0.00 -0.51 0.00 0.00 60.65 60.31 1nqt s ILE 158 Cb 0.12 -0.80 0.00 0.00 0.61 0.00 0.00 42.46 42.39 1nqt s ILE 158 CO 0.01 0.01 0.00 0.61 -2.81 0.00 0.00 174.94 172.77 1nqt n GLY 159 N 3.71 3.12 0.31 1.50 0.00 0.95 -4.59 105.19 110.20 1nqt n GLY 159 Ca -0.19 -0.12 0.18 0.00 0.00 0.00 0.00 46.02 45.90 1nqt n GLY 159 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nqt h PRO 160 N 0.00 0.00 -0.00 1.61 0.13 -1.81 0.72 132.00 132.65 1nqt h PRO 160 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1nqt h PRO 160 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1nqt h PRO 160 CO 0.00 0.01 -0.41 0.41 -0.23 0.00 0.00 178.00 177.79 1nqt n GLY 161 N -1.13 0.18 0.41 1.56 0.00 -1.26 -4.80 105.19 100.15 1nqt n GLY 161 Ca -0.03 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 1nqt n GLY 161 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nqt n ILE 162 N -1.19 1.31 -3.78 -0.61 5.41 -0.83 -3.63 119.36 116.04 1nqt n ILE 162 Ca 0.02 0.10 -0.13 0.00 1.00 0.00 0.00 62.75 63.74 1nqt n ILE 162 Cb 0.14 -2.01 -0.13 0.00 -0.71 0.00 0.00 39.64 36.92 1nqt n ILE 162 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1nqt s ASP 163 N -6.13 -0.15 -0.32 4.38 -1.08 0.19 0.11 116.67 113.66 1nqt s ASP 163 Ca -0.21 0.33 0.02 0.00 -0.52 0.00 0.00 52.55 52.17 1nqt s ASP 163 Cb 0.05 0.27 0.10 0.00 -1.46 0.00 0.00 42.92 41.88 1nqt s ASP 163 CO 0.30 -0.10 0.06 -0.69 0.52 0.00 0.00 175.17 175.26 1nqt s VAL 164 N 0.59 1.77 0.00 1.11 1.01 0.19 -0.03 120.40 125.04 1nqt s VAL 164 Ca -0.04 -1.97 0.00 0.00 0.00 0.00 0.00 61.98 59.96 1nqt s VAL 164 Cb -0.06 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1nqt s VAL 164 CO -0.03 -0.60 0.00 -2.65 0.00 0.00 0.00 175.10 171.82 1nqt n PRO 165 N 4.47 -1.55 -3.58 2.72 -0.02 -1.18 -3.30 135.00 132.55 1nqt n PRO 165 Ca 0.01 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.51 1nqt n PRO 165 Cb 0.42 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.90 1nqt n PRO 165 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nqt s ALA 166 N -2.13 -2.39 0.87 3.55 0.00 -1.12 -2.68 121.76 117.85 1nqt s ALA 166 Ca 0.00 1.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.97 1nqt s ALA 166 Cb 0.00 0.11 0.11 0.00 0.00 0.00 0.00 23.12 23.35 1nqt s ALA 166 CO 0.00 -0.94 1.16 -2.14 0.00 0.00 0.00 175.76 173.85 1nqt s PRO 167 N -2.11 1.49 0.28 0.00 0.02 -1.26 0.79 135.00 134.21 1nqt s PRO 167 Ca 0.14 0.18 0.03 0.00 0.02 0.00 0.00 61.00 61.37 1nqt s PRO 167 Cb 0.05 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.65 1nqt s PRO 167 CO -0.05 -1.94 0.18 0.34 -0.33 0.00 0.00 177.00 175.20 1nqt s ASP 168 N -4.31 1.14 0.64 2.53 3.68 -1.19 -4.36 116.67 114.81 1nqt s ASP 168 Ca 0.63 -1.56 0.33 0.00 2.13 0.00 0.00 52.55 54.08 1nqt s ASP 168 Cb -0.13 0.43 1.80 0.00 -1.45 0.00 0.00 42.92 43.58 1nqt s ASP 168 CO 0.51 -0.92 2.06 0.24 0.13 0.00 0.00 175.17 177.19 1nqt h MET 169 N 2.32 0.00 0.00 4.34 2.86 -1.99 0.54 114.93 123.00 1nqt h MET 169 Ca -0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1nqt h MET 169 Cb 1.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.90 1nqt h MET 169 CO 0.48 0.00 -0.78 0.66 1.06 0.00 0.00 176.91 178.33 1nqt h SER 170 N 0.00 0.00 -1.99 1.22 4.64 -1.88 -3.48 113.55 112.06 1nqt h SER 170 Ca 0.04 -0.01 -0.62 0.00 -0.47 0.00 0.00 61.79 60.74 1nqt h SER 170 Cb 0.53 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.49 1nqt h SER 170 CO -0.00 0.00 -0.69 0.42 -0.87 0.00 0.00 176.83 175.69 1nqt s THR 171 N -3.33 2.32 0.34 2.95 -4.23 0.18 -4.73 115.64 109.15 1nqt s THR 171 Ca 0.01 -2.23 0.08 0.00 -1.18 0.00 0.00 61.69 58.37 1nqt s THR 171 Cb 0.09 -2.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 1nqt s THR 171 CO 0.76 -0.24 0.28 -0.83 -0.54 0.00 0.00 174.62 174.05 1nqt s GLY 172 N -3.60 2.42 0.56 3.99 0.00 -1.26 -3.97 107.32 105.46 1nqt s GLY 172 Ca 0.32 -2.03 0.34 0.00 0.00 0.00 0.00 44.72 43.36 1nqt s GLY 172 CO 0.16 -1.51 2.05 1.05 0.00 0.00 0.00 173.10 174.86 1nqt h GLU 173 N 2.08 0.00 -0.21 2.90 4.11 -1.97 -0.19 114.58 121.30 1nqt h GLU 173 Ca -0.25 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.07 1nqt h GLU 173 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 1nqt h GLU 173 CO 0.37 0.00 -0.28 0.07 0.07 0.00 0.00 179.01 179.24 1nqt h ARG 174 N 0.00 0.57 0.05 1.06 0.11 -1.95 -1.14 114.38 113.08 1nqt h ARG 174 Ca 0.00 -0.32 -0.00 0.00 0.10 0.00 0.00 59.98 59.75 1nqt h ARG 174 Cb 0.16 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.26 1nqt h ARG 174 CO 0.00 0.92 -0.02 0.93 0.10 0.00 0.00 179.97 181.90 1nqt h GLU 175 N 0.25 -0.06 -0.96 0.08 3.07 -1.44 -3.01 114.58 112.51 1nqt h GLU 175 Ca 0.03 0.00 0.24 0.00 -0.50 0.00 0.00 59.36 59.13 1nqt h GLU 175 Cb 0.85 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.71 1nqt h GLU 175 CO 0.07 0.41 0.65 0.52 -1.40 0.00 0.00 179.01 179.26 1nqt h MET 176 N -0.56 0.28 0.00 2.33 2.86 -1.45 0.79 114.93 119.18 1nqt h MET 176 Ca -0.01 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 1nqt h MET 176 Cb 0.50 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1nqt h MET 176 CO 0.01 0.19 -0.36 1.03 1.06 0.00 0.00 176.91 178.83 1nqt h SER 177 N 0.29 0.00 0.12 1.22 0.87 -1.07 -2.41 113.55 112.57 1nqt h SER 177 Ca 0.50 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.91 1nqt h SER 177 Cb 1.46 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.44 1nqt h SER 177 CO -0.16 0.36 -0.70 -0.50 -0.53 0.00 0.00 176.83 175.30 1nqt h TRP 178 N 0.00 0.47 -0.45 2.24 6.55 0.57 -2.61 115.95 122.71 1nqt h TRP 178 Ca -0.00 -0.34 0.09 0.00 0.95 0.00 0.00 58.89 59.58 1nqt h TRP 178 Cb 0.91 -0.02 -0.10 0.00 -0.86 0.00 0.00 29.16 29.09 1nqt h TRP 178 CO 0.00 1.27 -0.28 0.82 -1.05 0.00 0.00 178.44 179.19 1nqt h ILE 179 N -0.46 0.27 0.00 1.49 2.04 -0.75 0.21 117.51 120.31 1nqt h ILE 179 Ca -0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1nqt h ILE 179 Cb 1.55 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1nqt h ILE 179 CO 0.13 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.28 1nqt n ALA 180 N -3.01 -0.14 -0.29 1.87 0.00 -0.92 -1.48 120.51 116.55 1nqt n ALA 180 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1nqt n ALA 180 Cb 0.33 0.16 0.29 0.00 0.00 0.00 0.00 19.45 20.22 1nqt n ALA 180 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1nqt h ASP 181 N 0.00 0.15 -0.02 0.00 1.82 -1.08 0.58 116.42 117.87 1nqt h ASP 181 Ca 0.00 0.17 0.01 0.00 -0.39 0.00 0.00 57.03 56.82 1nqt h ASP 181 Cb 0.00 0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.18 1nqt h ASP 181 CO 0.00 -0.07 -0.27 0.74 -1.61 0.00 0.00 179.24 178.03 1nqt h THR 182 N 0.30 0.00 -0.60 2.25 2.02 -0.48 -0.93 112.91 115.47 1nqt h THR 182 Ca 0.54 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.79 1nqt h THR 182 Cb 1.05 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.36 1nqt h THR 182 CO -0.58 0.00 -0.52 0.22 0.37 0.00 0.00 175.52 175.01 1nqt h TYR 183 N -0.32 -1.59 -0.56 3.16 3.20 0.17 -2.04 116.97 118.99 1nqt h TYR 183 Ca 0.01 0.09 0.11 0.00 3.14 0.00 0.00 58.73 62.08 1nqt h TYR 183 Cb 0.35 0.77 -0.11 0.00 1.54 0.00 0.00 36.73 39.29 1nqt h TYR 183 CO -0.47 -0.44 -0.16 0.00 -1.64 0.00 0.00 178.16 175.45 1nqt h ALA 184 N 0.32 0.33 -0.16 1.82 0.00 -0.90 -0.33 119.26 120.35 1nqt h ALA 184 Ca 0.13 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1nqt h ALA 184 Cb 0.55 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1nqt h ALA 184 CO -0.71 -0.46 0.00 0.43 0.00 0.00 0.00 179.25 178.52 1nqt n SER 185 N -5.40 0.88 0.00 0.00 7.64 -0.37 -1.78 113.62 114.59 1nqt n SER 185 Ca 0.06 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 57.93 1nqt n SER 185 Cb 0.30 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1nqt n SER 185 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1nqt n THR 186 N -0.03 0.00 -0.03 0.44 -1.04 -0.83 -4.86 114.28 107.93 1nqt n THR 186 Ca 0.05 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.98 1nqt n THR 186 Cb 0.14 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.74 1nqt n THR 186 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1nqt h ILE 187 N 0.00 1.29 -0.64 12.58 1.08 -1.81 -3.08 117.51 126.93 1nqt h ILE 187 Ca 0.00 -1.55 -0.37 0.00 -0.39 0.00 0.00 64.86 62.55 1nqt h ILE 187 Cb 0.00 1.50 -0.20 0.00 -3.07 0.00 0.00 36.82 35.06 1nqt h ILE 187 CO 0.00 0.50 0.47 0.61 -0.69 0.00 0.00 178.15 179.04 1nqt n GLY 188 N -0.01 3.97 0.28 5.37 0.00 -0.19 -4.56 105.19 110.05 1nqt n GLY 188 Ca -0.02 -0.96 -0.01 0.00 0.00 0.00 0.00 46.02 45.03 1nqt n GLY 188 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1nqt h HIS 189 N 0.98 0.64 -0.01 1.61 6.17 -1.26 -3.06 115.15 120.22 1nqt h HIS 189 Ca 0.41 -0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.43 1nqt h HIS 189 Cb 1.76 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 31.51 1nqt h HIS 189 CO 1.02 0.58 -0.29 0.66 0.71 0.00 0.00 177.93 180.61 1nqt n TYR 190 N -4.29 0.00 -2.63 5.26 4.02 -1.26 -4.89 117.16 113.37 1nqt n TYR 190 Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.48 1nqt n TYR 190 Cb 0.23 -0.09 -0.02 0.00 -0.02 0.00 0.00 39.34 39.44 1nqt n TYR 190 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1nqt s ASP 191 N -2.48 7.12 0.00 7.72 3.68 -1.15 -4.91 116.67 126.64 1nqt s ASP 191 Ca 0.24 1.47 0.17 0.00 2.13 0.00 0.00 52.55 56.56 1nqt s ASP 191 Cb 0.19 -2.54 0.90 0.00 -1.45 0.00 0.00 42.92 40.01 1nqt s ASP 191 CO 0.52 -0.62 1.50 0.00 0.13 0.00 0.00 175.17 176.70 1nqt n ILE 192 N 5.11 0.41 -2.37 4.11 3.06 -1.26 -2.18 119.36 126.24 1nqt n ILE 192 Ca 0.11 0.10 -0.18 0.00 -2.50 0.00 0.00 62.75 60.29 1nqt n ILE 192 Cb 0.47 -0.82 0.02 0.00 0.54 0.00 0.00 39.64 39.85 1nqt n ILE 192 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1nqt n ASN 193 N -1.24 3.75 -0.19 9.51 3.02 -1.26 -4.84 115.26 124.01 1nqt n ASN 193 Ca 0.09 -3.24 -0.07 0.00 -0.03 0.00 0.00 54.58 51.33 1nqt n ASN 193 Cb 0.12 -0.42 0.08 0.00 -0.61 0.00 0.00 39.78 38.96 1nqt n ASN 193 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nqt h ALA 194 N 2.45 0.97 0.00 5.41 0.00 -1.74 -2.36 119.26 123.99 1nqt h ALA 194 Ca 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1nqt h ALA 194 Cb 1.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1nqt h ALA 194 CO 0.62 0.64 0.00 0.72 0.00 0.00 0.00 179.25 181.22 1nqt n HIS 195 N -4.21 0.00 1.28 0.00 8.25 -1.26 -0.87 115.22 118.41 1nqt n HIS 195 Ca 0.04 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.63 1nqt n HIS 195 Cb 0.31 -0.21 0.37 0.00 1.12 0.00 0.00 29.99 31.57 1nqt n HIS 195 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nqt n ALA 196 N -1.21 2.96 0.03 -1.41 0.00 -0.89 -4.00 120.51 116.00 1nqt n ALA 196 Ca 0.05 -0.45 0.19 0.00 0.00 0.00 0.00 53.44 53.24 1nqt n ALA 196 Cb 0.07 -1.10 0.69 0.00 0.00 0.00 0.00 19.45 19.11 1nqt n ALA 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqt s VAL 198 N -5.00 0.00 0.00 0.00 0.11 -1.26 -3.10 120.40 111.16 1nqt s VAL 198 Ca -0.05 -0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 1nqt s VAL 198 Cb 0.19 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 34.45 1nqt s VAL 198 CO 0.72 -0.00 0.00 0.35 -3.33 0.00 0.00 175.10 172.84 1nqt n THR 199 N 2.84 0.00 -3.49 5.04 -2.24 -1.09 -4.68 114.28 110.66 1nqt n THR 199 Ca -0.13 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.44 1nqt n THR 199 Cb 0.57 -1.34 0.08 0.00 -2.10 0.00 0.00 70.33 67.53 1nqt n THR 199 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nqt n GLY 200 N 5.00 -0.42 3.49 3.38 0.00 -1.26 -4.49 105.19 110.89 1nqt n GLY 200 Ca 0.00 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1nqt n GLY 200 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nqt s LYS 201 N -6.06 1.77 0.30 1.61 -2.85 -1.26 -4.12 119.74 109.13 1nqt s LYS 201 Ca 0.45 -1.57 -0.27 0.00 -1.00 0.00 0.00 55.97 53.58 1nqt s LYS 201 Cb -0.20 -1.90 -0.14 0.00 -2.06 0.00 0.00 37.83 33.53 1nqt s LYS 201 CO 0.68 0.37 0.84 -2.30 0.10 0.00 0.00 175.35 175.04 1nqt n PRO 202 N -0.28 0.96 -0.21 1.78 -0.02 -1.26 -3.20 135.00 132.76 1nqt n PRO 202 Ca -0.08 0.34 0.02 0.00 -2.02 0.00 0.00 63.50 61.75 1nqt n PRO 202 Cb 0.58 -1.63 0.13 0.00 -0.02 0.00 0.00 33.50 32.55 1nqt n PRO 202 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1nqt h ILE 203 N 1.57 0.66 -0.69 4.25 1.08 -1.92 0.18 117.51 122.64 1nqt h ILE 203 Ca -0.38 -0.11 0.13 0.00 -0.39 0.00 0.00 64.86 64.12 1nqt h ILE 203 Cb 1.37 0.31 -0.09 0.00 -3.07 0.00 0.00 36.82 35.34 1nqt h ILE 203 CO 0.58 0.06 0.22 0.77 -0.69 0.00 0.00 178.15 179.09 1nqt h SER 204 N 0.32 0.13 0.98 1.72 4.64 -1.93 -0.15 113.55 119.26 1nqt h SER 204 Ca 0.34 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1nqt h SER 204 Cb 0.49 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1nqt h SER 204 CO -0.39 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 175.62 1nqt n GLN 205 N -5.08 0.07 0.00 4.77 1.13 0.47 -4.86 117.38 113.89 1nqt n GLN 205 Ca 0.12 0.13 0.00 0.00 -1.94 0.00 0.00 57.00 55.31 1nqt n GLN 205 Cb 0.39 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 29.14 1nqt n GLN 205 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nqt n GLY 206 N 1.04 1.90 3.57 1.08 0.00 -0.07 -4.96 105.19 107.74 1nqt n GLY 206 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1nqt n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nqt n GLY 207 N 0.00 -2.46 3.18 -0.02 0.00 -0.35 -4.86 105.19 100.68 1nqt n GLY 207 Ca 0.00 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 1nqt n GLY 207 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nqt s ILE 208 N -3.20 2.39 0.14 -0.61 2.07 -1.26 -4.75 121.20 115.99 1nqt s ILE 208 Ca 0.72 -0.84 -0.34 0.00 -1.41 0.00 0.00 60.65 58.77 1nqt s ILE 208 Cb -0.06 -2.01 -0.16 0.00 0.13 0.00 0.00 42.46 40.36 1nqt s ILE 208 CO 0.54 0.52 1.33 1.41 -1.91 0.00 0.00 174.94 176.83 1nqt n HIS 209 N 4.47 1.65 -0.64 3.50 8.25 -1.26 -2.51 115.22 128.69 1nqt n HIS 209 Ca -0.20 0.56 0.00 0.00 -0.26 0.00 0.00 57.72 57.82 1nqt n HIS 209 Cb 0.51 -2.37 0.00 0.00 1.12 0.00 0.00 29.99 29.25 1nqt n HIS 209 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqt n GLY 210 N 2.47 1.20 0.13 -1.41 0.00 -1.26 -4.23 105.19 102.09 1nqt n GLY 210 Ca 0.16 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 1nqt n GLY 210 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nqt h ARG 211 N 0.00 0.38 0.00 1.61 1.12 -1.89 -3.23 114.38 112.36 1nqt h ARG 211 Ca 0.00 -0.64 0.00 0.00 -1.11 0.00 0.00 59.98 58.23 1nqt h ARG 211 Cb 0.26 0.24 0.00 0.00 -0.01 0.00 0.00 29.97 30.46 1nqt h ARG 211 CO 0.00 1.28 0.00 -0.89 -3.11 0.00 0.00 179.97 177.25 1nqt n ILE 212 N -3.57 0.00 0.31 1.20 5.41 -1.26 -2.66 119.36 118.79 1nqt n ILE 212 Ca -0.20 1.37 0.13 0.00 1.00 0.00 0.00 62.75 65.06 1nqt n ILE 212 Cb 1.07 -2.36 0.71 0.00 -0.71 0.00 0.00 39.64 38.35 1nqt n ILE 212 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1nqt h SER 213 N 0.00 0.00 0.00 4.38 4.64 -2.00 -3.35 113.55 117.22 1nqt h SER 213 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nqt h SER 213 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1nqt h SER 213 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1nqt n ALA 214 N -1.82 0.00 -0.18 5.18 0.00 -1.09 -0.81 120.51 121.79 1nqt n ALA 214 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1nqt n ALA 214 Cb 0.39 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.04 1nqt n ALA 214 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1nqt n THR 215 N 0.00 -0.22 0.14 0.00 -1.04 -1.26 0.40 114.28 112.31 1nqt n THR 215 Ca 0.00 1.14 -0.14 0.00 -2.04 0.00 0.00 64.05 63.02 1nqt n THR 215 Cb 0.00 -1.72 -0.08 0.00 -1.82 0.00 0.00 70.33 66.71 1nqt n THR 215 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1nqt h GLY 216 N 0.00 -0.34 0.97 3.41 0.00 -1.61 -1.11 103.07 104.39 1nqt h GLY 216 Ca 0.36 0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.87 1nqt h GLY 216 CO -0.48 -0.12 0.54 3.21 0.00 0.00 0.00 176.54 179.69 1nqt h ARG 217 N -0.46 0.92 0.39 4.80 3.08 0.20 -0.63 114.38 122.67 1nqt h ARG 217 Ca -0.03 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1nqt h ARG 217 Cb 0.35 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1nqt h ARG 217 CO 0.05 0.61 -0.44 0.78 -1.07 0.00 0.00 179.97 179.90 1nqt h GLY 218 N 0.94 -1.05 -0.04 0.04 0.00 -0.63 -0.22 103.07 102.11 1nqt h GLY 218 Ca 0.35 0.52 0.19 0.00 0.00 0.00 0.00 47.33 48.39 1nqt h GLY 218 CO -0.12 -0.33 0.41 -2.08 0.00 0.00 0.00 176.54 174.42 1nqt h VAL 219 N -0.86 0.57 0.61 4.60 2.07 -0.29 0.15 116.25 123.11 1nqt h VAL 219 Ca -0.03 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1nqt h VAL 219 Cb 0.78 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1nqt h VAL 219 CO -0.10 0.09 -0.29 0.15 0.02 0.00 0.00 177.57 177.44 1nqt h PHE 220 N 0.49 -0.76 0.00 1.57 3.04 -0.28 -2.15 116.94 118.85 1nqt h PHE 220 Ca 0.53 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.46 1nqt h PHE 220 Cb 0.91 0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.67 1nqt h PHE 220 CO -0.12 -0.44 0.00 0.72 -2.02 0.00 0.00 178.31 176.45 1nqt n HIS 221 N -5.41 0.00 0.00 0.41 8.25 -0.18 -1.30 115.22 116.99 1nqt n HIS 221 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1nqt n HIS 221 Cb 0.35 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.00 1nqt n HIS 221 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqt n GLY 222 N -0.97 0.00 0.00 -1.41 0.00 0.48 0.11 105.19 103.40 1nqt n GLY 222 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nqt n GLY 222 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nqt n ILE 223 N -3.40 0.00 0.00 -0.61 5.41 -0.81 -3.46 119.36 116.49 1nqt n ILE 223 Ca 0.00 1.05 0.00 0.00 1.00 0.00 0.00 62.75 64.80 1nqt n ILE 223 Cb 0.00 -2.01 0.00 0.00 -0.71 0.00 0.00 39.64 36.92 1nqt n ILE 223 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1nqt n GLU 224 N -0.69 0.00 0.32 0.38 2.13 0.30 0.15 120.64 123.23 1nqt n GLU 224 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 1nqt n GLU 224 Cb 0.00 0.00 0.62 0.00 0.27 0.00 0.00 31.44 32.33 1nqt n GLU 224 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1nqt h ASN 225 N 0.00 0.00 0.00 4.31 2.35 -1.33 0.39 115.58 121.30 1nqt h ASN 225 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 1nqt h ASN 225 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 1nqt h ASN 225 CO 0.00 0.00 -1.98 0.49 -1.65 0.00 0.00 177.43 174.29 1nqt n PHE 226 N -2.73 0.00 0.79 1.19 3.01 0.40 -4.20 117.46 115.92 1nqt n PHE 226 Ca -0.02 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.54 1nqt n PHE 226 Cb 0.49 -0.70 0.45 0.00 -0.01 0.00 0.00 39.48 39.70 1nqt n PHE 226 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28 1nqt n ILE 227 N -2.54 0.55 0.32 4.37 0.13 0.01 -2.11 119.36 120.10 1nqt n ILE 227 Ca -0.23 0.14 0.06 0.00 -1.10 0.00 0.00 62.75 61.61 1nqt n ILE 227 Cb 0.96 -0.82 0.08 0.00 -0.84 0.00 0.00 39.64 39.03 1nqt n ILE 227 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 1nqt n ASN 228 N -1.38 2.29 -4.36 9.51 3.02 -0.52 -4.72 115.26 119.11 1nqt n ASN 228 Ca 0.07 -1.64 -0.45 0.00 -0.03 0.00 0.00 54.58 52.53 1nqt n ASN 228 Cb 0.18 -0.07 -0.05 0.00 -0.61 0.00 0.00 39.78 39.23 1nqt n ASN 228 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1nqt s GLU 229 N -1.02 3.02 0.08 3.52 0.41 -0.90 -4.98 118.70 118.84 1nqt s GLU 229 Ca 0.17 -1.44 -0.16 0.00 -0.41 0.00 0.00 54.97 53.13 1nqt s GLU 229 Cb 0.11 -4.26 -0.04 0.00 -1.78 0.00 0.00 34.13 28.17 1nqt s GLU 229 CO 0.16 -1.40 1.08 0.00 -0.49 0.00 0.00 175.26 174.61 1nqt n ALA 230 N 5.82 -0.33 -0.09 5.21 0.00 -1.26 -1.74 120.51 128.12 1nqt n ALA 230 Ca -0.11 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1nqt n ALA 230 Cb 0.42 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1nqt n ALA 230 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nqt n SER 231 N -4.21 0.00 0.10 0.00 2.88 -1.26 -0.38 113.62 110.75 1nqt n SER 231 Ca 0.01 0.49 -0.12 0.00 -1.33 0.00 0.00 58.87 57.92 1nqt n SER 231 Cb 0.13 -0.22 -0.05 0.00 -0.75 0.00 0.00 64.21 63.32 1nqt n SER 231 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1nqt h TYR 232 N 0.00 -0.52 0.00 0.66 -1.99 -1.78 -1.46 116.97 111.89 1nqt h TYR 232 Ca 0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1nqt h TYR 232 Cb 0.00 0.22 0.00 0.00 2.00 0.00 0.00 36.73 38.95 1nqt h TYR 232 CO -0.42 -0.29 0.00 -1.33 -0.00 0.00 0.00 178.16 176.12 1nqt n MET 233 N -5.32 0.06 -0.11 4.88 2.81 0.29 -0.69 117.12 119.04 1nqt n MET 233 Ca -0.06 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.60 1nqt n MET 233 Cb 0.24 -1.21 -0.08 0.00 -0.71 0.00 0.00 33.22 31.45 1nqt n MET 233 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1nqt n SER 234 N -0.71 1.63 -0.41 7.83 2.88 0.49 -0.45 113.62 124.89 1nqt n SER 234 Ca 0.01 0.23 0.33 0.00 -1.33 0.00 0.00 58.87 58.10 1nqt n SER 234 Cb 0.00 -0.61 0.61 0.00 -0.75 0.00 0.00 64.21 63.47 1nqt n SER 234 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1nqt h ILE 235 N -0.70 0.25 0.00 2.46 1.08 -0.65 0.81 117.51 120.77 1nqt h ILE 235 Ca -0.55 -0.06 -0.25 0.00 -0.39 0.00 0.00 64.86 63.62 1nqt h ILE 235 Cb 1.51 0.06 -0.04 0.00 -3.07 0.00 0.00 36.82 35.28 1nqt h ILE 235 CO -0.31 0.03 -1.53 -0.07 -0.69 0.00 0.00 178.15 175.59 1nqt h LEU 236 N 0.17 0.00 -2.95 1.44 3.38 -1.64 -3.49 115.31 112.22 1nqt h LEU 236 Ca 0.74 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.71 1nqt h LEU 236 Cb 2.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.00 1nqt h LEU 236 CO -0.36 0.89 -0.05 0.61 0.09 0.00 0.00 178.44 179.62 1nqt n GLY 237 N 1.49 -1.42 0.00 0.83 0.00 0.28 -5.10 105.19 101.27 1nqt n GLY 237 Ca -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1nqt n GLY 237 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nqt n MET 238 N -0.32 0.00 -2.36 1.61 2.00 0.41 -4.97 117.12 113.49 1nqt n MET 238 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.59 1nqt n MET 238 Cb 0.02 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.25 1nqt n MET 238 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1nqt n THR 239 N 0.00 -1.20 -2.04 2.03 5.66 -1.26 -4.85 114.28 112.63 1nqt n THR 239 Ca 0.00 0.01 -0.29 0.00 -3.05 0.00 0.00 64.05 60.72 1nqt n THR 239 Cb 0.00 -1.08 0.05 0.00 -1.55 0.00 0.00 70.33 67.75 1nqt n THR 239 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 1nqt s PRO 240 N -1.84 2.63 -0.21 1.09 0.02 -1.26 -5.06 135.00 130.37 1nqt s PRO 240 Ca 0.07 0.21 -0.01 0.00 0.02 0.00 0.00 61.00 61.30 1nqt s PRO 240 Cb -0.01 -2.08 -0.13 0.00 0.02 0.00 0.00 34.50 32.30 1nqt s PRO 240 CO 0.30 -1.09 -0.21 0.41 -0.33 0.00 0.00 177.00 176.09 1nqt n GLY 241 N -2.96 -0.31 0.00 0.52 0.00 -1.26 -4.33 105.19 96.86 1nqt n GLY 241 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1nqt n GLY 241 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nqt n PHE 242 N -3.28 0.00 0.33 1.61 7.35 -1.26 -4.43 117.46 117.78 1nqt n PHE 242 Ca -0.39 0.00 0.15 0.00 -0.76 0.00 0.00 57.45 56.45 1nqt n PHE 242 Cb 0.88 -0.30 0.50 0.00 0.35 0.00 0.00 39.48 40.91 1nqt n PHE 242 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1nqt h GLY 243 N 0.00 0.00 0.00 7.13 0.00 -2.03 -3.47 103.07 104.70 1nqt h GLY 243 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1nqt h GLY 243 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 176.54 177.88 1nqt n ASP 244 N -2.82 0.00 -3.72 0.19 4.64 -1.26 -4.56 116.55 109.02 1nqt n ASP 244 Ca 0.02 0.00 -0.14 0.00 -1.38 0.00 0.00 54.79 53.29 1nqt n ASP 244 Cb 0.35 0.00 -0.08 0.00 -1.04 0.00 0.00 41.12 40.35 1nqt n ASP 244 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1nqt s LYS 245 N 0.00 0.69 -0.03 -0.67 1.02 -1.26 -4.05 119.74 115.44 1nqt s LYS 245 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.03 1nqt s LYS 245 Cb 0.00 0.32 0.03 0.00 -0.52 0.00 0.00 37.83 37.65 1nqt s LYS 245 CO 0.00 -0.18 0.00 -0.08 -0.92 0.00 0.00 175.35 174.17 1nqt s THR 246 N -0.99 0.15 0.11 2.17 -1.32 -1.26 -1.38 115.64 113.12 1nqt s THR 246 Ca -0.10 0.10 0.02 0.00 -1.21 0.00 0.00 61.69 60.49 1nqt s THR 246 Cb -0.04 -0.26 -0.04 0.00 -1.51 0.00 0.00 72.50 70.65 1nqt s THR 246 CO 0.04 0.14 -0.05 0.72 -2.21 0.00 0.00 174.62 173.27 1nqt s PHE 247 N 1.05 0.92 -0.01 9.09 -0.71 0.68 0.13 117.98 129.14 1nqt s PHE 247 Ca -0.09 -0.95 0.02 0.00 -1.04 0.00 0.00 56.93 54.87 1nqt s PHE 247 Cb -0.13 -0.54 -0.00 0.00 -1.21 0.00 0.00 43.02 41.14 1nqt s PHE 247 CO -0.02 -0.18 -0.07 0.08 -1.34 0.00 0.00 175.22 173.70 1nqt s VAL 248 N -3.65 0.52 0.02 -2.49 1.01 0.93 -1.42 120.40 115.32 1nqt s VAL 248 Ca 0.14 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 61.91 1nqt s VAL 248 Cb 0.06 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 1nqt s VAL 248 CO -0.03 0.15 -0.19 0.54 0.00 0.00 0.00 175.10 175.56 1nqt s VAL 249 N -0.14 2.67 -0.75 2.92 0.11 -1.13 0.44 120.40 124.52 1nqt s VAL 249 Ca 0.02 -1.12 -0.03 0.00 -2.93 0.00 0.00 61.98 57.92 1nqt s VAL 249 Cb -0.03 -2.08 0.19 0.00 -1.53 0.00 0.00 36.38 32.93 1nqt s VAL 249 CO -0.00 0.41 0.59 -1.58 -3.33 0.00 0.00 175.10 171.19 1nqt s GLN 250 N -1.20 2.90 0.00 1.54 -0.44 0.15 -2.20 119.66 120.41 1nqt s GLN 250 Ca 0.13 -2.86 0.00 0.00 -2.50 0.00 0.00 55.36 50.13 1nqt s GLN 250 Cb -0.10 -3.85 0.00 0.00 -1.64 0.00 0.00 33.01 27.42 1nqt s GLN 250 CO 0.03 -1.22 0.00 0.41 0.50 0.00 0.00 175.29 175.01 1nqt n GLY 251 N 2.99 1.76 1.12 2.59 0.00 0.12 -2.03 105.19 111.72 1nqt n GLY 251 Ca 0.14 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1nqt n GLY 251 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nqt n PHE 252 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -3.51 117.46 114.30 1nqt n PHE 252 Ca 0.00 -0.60 0.00 0.00 -0.00 0.00 0.00 57.45 56.85 1nqt n PHE 252 Cb 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 39.48 39.18 1nqt n PHE 252 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nqt n GLY 253 N 0.74 -0.93 0.20 7.13 0.00 -1.26 -4.35 105.19 106.71 1nqt n GLY 253 Ca 0.00 -1.25 -0.07 0.00 0.00 0.00 0.00 46.02 44.70 1nqt n GLY 253 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1nqt h ASN 254 N 0.00 -0.41 -0.84 1.61 -1.24 -1.92 -2.25 115.58 110.54 1nqt h ASN 254 Ca 0.00 0.01 0.16 0.00 0.71 0.00 0.00 56.30 57.18 1nqt h ASN 254 Cb 0.00 0.10 -0.10 0.00 0.73 0.00 0.00 38.32 39.06 1nqt h ASN 254 CO 0.00 -0.22 0.41 1.62 -1.29 0.00 0.00 177.43 177.95 1nqt h VAL 255 N -0.63 0.68 -0.11 2.57 3.04 -1.89 -0.99 116.25 118.91 1nqt h VAL 255 Ca -0.05 -0.19 -0.08 0.00 -1.01 0.00 0.00 66.70 65.36 1nqt h VAL 255 Cb 0.37 0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 29.70 1nqt h VAL 255 CO 0.08 0.10 -0.32 1.23 -1.01 0.00 0.00 177.57 177.66 1nqt h GLY 256 N 0.56 0.23 0.73 3.17 0.00 -1.61 -1.54 103.07 104.62 1nqt h GLY 256 Ca 0.47 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 1nqt h GLY 256 CO -0.40 0.17 -0.21 -2.00 0.00 0.00 0.00 176.54 174.11 1nqt h LEU 257 N 0.19 -0.49 -0.33 3.11 5.85 -0.56 -2.62 115.31 120.45 1nqt h LEU 257 Ca 0.03 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1nqt h LEU 257 Cb 0.66 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1nqt h LEU 257 CO 0.05 -0.16 0.21 0.45 -0.34 0.00 0.00 178.44 178.65 1nqt h HIS 258 N -0.86 0.39 -0.07 1.25 3.86 -1.45 -1.47 115.15 116.81 1nqt h HIS 258 Ca -0.06 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1nqt h HIS 258 Cb 0.56 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.86 1nqt h HIS 258 CO 0.01 0.24 -0.31 0.77 0.86 0.00 0.00 177.93 179.49 1nqt h SER 259 N 0.43 -1.00 -1.04 2.45 0.02 -1.33 0.38 113.55 113.46 1nqt h SER 259 Ca 0.13 0.12 0.29 0.00 -0.84 0.00 0.00 61.79 61.49 1nqt h SER 259 Cb -0.03 0.39 -0.06 0.00 0.14 0.00 0.00 62.40 62.85 1nqt h SER 259 CO -0.04 -0.28 0.73 -0.03 -1.14 0.00 0.00 176.83 176.06 1nqt h MET 260 N -0.34 0.11 -0.07 3.45 1.85 -1.26 -0.14 114.93 118.54 1nqt h MET 260 Ca 0.02 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.07 1nqt h MET 260 Cb 0.39 -0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.40 1nqt h MET 260 CO -0.25 0.08 -0.07 0.00 -0.40 0.00 0.00 176.91 176.26 1nqt h ARG 261 N 0.12 0.18 -0.01 0.39 2.47 0.73 -2.35 114.38 115.90 1nqt h ARG 261 Ca 0.52 -0.09 -0.05 0.00 -1.26 0.00 0.00 59.98 59.10 1nqt h ARG 261 Cb 1.85 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.17 1nqt h ARG 261 CO -0.08 0.61 -0.18 1.88 0.56 0.00 0.00 179.97 182.76 1nqt h TYR 262 N -0.25 0.21 -0.91 3.04 0.05 -0.03 -2.14 116.97 116.95 1nqt h TYR 262 Ca 0.01 -0.10 0.16 0.00 0.05 0.00 0.00 58.73 58.85 1nqt h TYR 262 Cb 0.58 -0.03 -0.07 0.00 1.01 0.00 0.00 36.73 38.22 1nqt h TYR 262 CO 0.09 0.86 0.58 1.25 -1.05 0.00 0.00 178.16 179.89 1nqt h LEU 263 N -0.50 0.64 -0.03 3.88 7.12 -1.16 -1.40 115.31 123.85 1nqt h LEU 263 Ca -0.02 0.05 -0.04 0.00 0.13 0.00 0.00 57.88 58.00 1nqt h LEU 263 Cb 0.90 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.95 1nqt h LEU 263 CO 0.04 0.30 -0.14 -0.74 -0.13 0.00 0.00 178.44 177.77 1nqt h HIS 264 N 0.66 0.19 0.00 1.25 2.76 -1.45 -3.10 115.15 115.46 1nqt h HIS 264 Ca 0.47 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.55 1nqt h HIS 264 Cb 0.80 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.73 1nqt h HIS 264 CO -0.00 0.79 0.23 -0.09 -1.30 0.00 0.00 177.93 177.56 1nqt h ARG 265 N -0.46 0.00 -0.59 5.26 2.43 -0.56 -1.59 114.38 118.87 1nqt h ARG 265 Ca -0.01 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.78 1nqt h ARG 265 Cb 0.81 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 30.13 1nqt h ARG 265 CO 0.03 0.00 -0.12 1.19 -1.51 0.00 0.00 179.97 179.56 1nqt n PHE 266 N -2.15 1.97 0.00 2.20 3.72 -0.99 -5.00 117.46 117.21 1nqt n PHE 266 Ca -0.01 -2.04 0.00 0.00 -0.05 0.00 0.00 57.45 55.35 1nqt n PHE 266 Cb 0.26 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.17 1nqt n PHE 266 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nqt n GLY 267 N -0.97 2.05 0.79 1.37 0.00 -0.60 -5.05 105.19 102.77 1nqt n GLY 267 Ca 0.42 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 1nqt n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqt n ALA 268 N 0.00 -1.21 -2.70 4.61 0.00 -1.18 -4.89 120.51 115.14 1nqt n ALA 268 Ca 0.00 0.13 -0.36 0.00 0.00 0.00 0.00 53.44 53.22 1nqt n ALA 268 Cb 0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 19.45 18.97 1nqt n ALA 268 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1nqt s LYS 269 N -0.00 4.14 -0.28 0.00 2.20 -0.48 -4.07 119.74 121.25 1nqt s LYS 269 Ca 0.20 -0.24 -0.18 0.00 -0.36 0.00 0.00 55.97 55.39 1nqt s LYS 269 Cb -0.28 -3.47 -0.02 0.00 -1.51 0.00 0.00 37.83 32.55 1nqt s LYS 269 CO 0.13 0.20 0.53 0.00 -0.36 0.00 0.00 175.35 175.85 1nqt n ILE 271 N 5.23 1.13 -3.93 0.00 3.06 -0.50 -1.44 119.36 122.91 1nqt n ILE 271 Ca -0.04 -0.77 -0.09 0.00 -2.50 0.00 0.00 62.75 59.35 1nqt n ILE 271 Cb 0.49 -0.46 -0.09 0.00 0.54 0.00 0.00 39.64 40.12 1nqt n ILE 271 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1nqt s ALA 272 N -2.74 -0.06 -0.28 1.51 0.00 -1.26 -1.86 121.76 117.07 1nqt s ALA 272 Ca -0.08 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.32 1nqt s ALA 272 Cb 0.08 0.26 0.16 0.00 0.00 0.00 0.00 23.12 23.62 1nqt s ALA 272 CO 0.84 -0.33 0.45 0.08 0.00 0.00 0.00 175.76 176.80 1nqt s VAL 273 N -2.71 -0.72 -0.08 0.00 1.01 -1.07 -2.85 120.40 113.98 1nqt s VAL 273 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1nqt s VAL 273 Cb -0.01 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1nqt s VAL 273 CO -0.05 -0.17 -0.06 -0.83 0.00 0.00 0.00 175.10 173.99 1nqt s GLY 274 N 2.62 1.71 0.00 4.51 0.00 -0.94 -3.19 107.32 112.03 1nqt s GLY 274 Ca 0.12 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.96 1nqt s GLY 274 CO -0.25 -0.60 0.00 -2.21 0.00 0.00 0.00 173.10 170.04 1nqt n GLU 275 N 2.34 3.84 0.01 2.90 0.00 -0.43 0.12 120.64 129.42 1nqt n GLU 275 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 56.97 1nqt n GLU 275 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.87 1nqt n GLU 275 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1nqt n SER 276 N 0.00 0.72 -2.17 4.31 7.64 -1.26 -4.34 113.62 118.52 1nqt n SER 276 Ca 0.00 0.32 -0.29 0.00 1.01 0.00 0.00 58.87 59.90 1nqt n SER 276 Cb 0.00 0.35 0.07 0.00 -1.01 0.00 0.00 64.21 63.62 1nqt n SER 276 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1nqt n ASP 277 N -2.85 6.38 0.00 6.43 3.85 -1.26 -5.06 116.55 124.04 1nqt n ASP 277 Ca -0.12 -3.77 0.00 0.00 -0.71 0.00 0.00 54.79 50.19 1nqt n ASP 277 Cb 0.88 -0.75 0.00 0.00 -1.35 0.00 0.00 41.12 39.90 1nqt n ASP 277 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1nqt n GLY 278 N -0.87 0.56 2.98 6.12 0.00 -1.26 -4.86 105.19 107.86 1nqt n GLY 278 Ca 0.55 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 1nqt n GLY 278 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nqt n SER 279 N 0.70 -1.19 -3.81 1.61 7.64 -1.25 -1.32 113.62 116.00 1nqt n SER 279 Ca 0.00 -2.69 -0.12 0.00 1.01 0.00 0.00 58.87 57.07 1nqt n SER 279 Cb 0.00 2.23 -0.09 0.00 -1.01 0.00 0.00 64.21 65.34 1nqt n SER 279 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1nqt s ILE 280 N -2.78 0.07 0.09 0.44 1.01 -1.19 -3.72 121.20 115.12 1nqt s ILE 280 Ca 0.26 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 60.20 1nqt s ILE 280 Cb -0.01 -0.57 0.01 0.00 0.01 0.00 0.00 42.46 41.90 1nqt s ILE 280 CO 0.19 -0.33 0.23 0.86 0.00 0.00 0.00 174.94 175.88 1nqt s TRP 281 N -1.49 0.08 0.00 3.97 -0.11 -0.35 -2.59 118.94 118.44 1nqt s TRP 281 Ca -0.13 -0.47 0.00 0.00 1.22 0.00 0.00 56.10 56.72 1nqt s TRP 281 Cb -0.06 0.00 0.00 0.00 -1.50 0.00 0.00 33.47 31.92 1nqt s TRP 281 CO 0.02 -0.57 0.00 -1.71 -4.62 0.00 0.00 176.95 170.08 1nqt n ASN 282 N -0.04 0.00 -0.07 5.86 5.15 -0.78 -2.28 115.26 123.10 1nqt n ASN 282 Ca -0.15 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 1nqt n ASN 282 Cb 0.62 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 1nqt n ASN 282 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1nqt n PRO 283 N 0.00 0.00 -0.08 1.20 -0.02 -1.26 -0.06 135.00 134.77 1nqt n PRO 283 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 1nqt n PRO 283 Cb 0.00 -0.97 -0.13 0.00 -0.02 0.00 0.00 33.50 32.38 1nqt n PRO 283 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1nqt n ASP 284 N -0.19 1.00 0.00 2.55 9.92 -1.26 -5.08 116.55 123.49 1nqt n ASP 284 Ca 0.00 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1nqt n ASP 284 Cb 0.00 0.84 0.00 0.00 -0.64 0.00 0.00 41.12 41.32 1nqt n ASP 284 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nqt n GLY 285 N 2.01 3.68 3.03 0.44 0.00 0.91 -5.01 105.19 110.25 1nqt n GLY 285 Ca -0.27 -1.75 -0.18 0.00 0.00 0.00 0.00 46.02 43.82 1nqt n GLY 285 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nqt s ILE 286 N -2.30 0.69 -0.06 -0.61 1.01 -0.52 -4.86 121.20 114.55 1nqt s ILE 286 Ca 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 60.65 60.00 1nqt s ILE 286 Cb 0.00 -0.61 -0.05 0.00 0.01 0.00 0.00 42.46 41.81 1nqt s ILE 286 CO 0.00 0.10 0.35 -0.62 0.00 0.00 0.00 174.94 174.77 1nqt s ASP 287 N -0.47 6.67 0.05 3.58 2.15 -1.26 -4.52 116.67 122.87 1nqt s ASP 287 Ca 0.01 0.80 -0.30 0.00 0.43 0.00 0.00 52.55 53.49 1nqt s ASP 287 Cb -0.04 -2.22 -0.18 0.00 -0.30 0.00 0.00 42.92 40.18 1nqt s ASP 287 CO -0.00 0.27 1.48 -0.65 -0.17 0.00 0.00 175.17 176.10 1nqt h PRO 288 N 5.26 -0.75 -0.04 4.34 0.11 -1.95 -1.86 132.00 137.11 1nqt h PRO 288 Ca -0.49 0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.69 1nqt h PRO 288 Cb 1.21 0.17 -0.06 0.00 0.11 0.00 0.00 31.00 32.43 1nqt h PRO 288 CO 0.65 -0.46 -0.53 -0.22 -0.21 0.00 0.00 178.00 177.23 1nqt h LYS 289 N -0.88 -0.62 -0.64 1.05 3.64 -1.98 0.46 116.57 117.60 1nqt h LYS 289 Ca -0.08 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.46 1nqt h LYS 289 Cb 0.63 0.14 -0.12 0.00 -0.41 0.00 0.00 32.23 32.47 1nqt h LYS 289 CO 0.13 -0.41 -0.27 0.93 -2.27 0.00 0.00 179.45 177.56 1nqt h GLU 290 N -0.64 -0.09 0.00 1.90 5.08 -1.98 0.79 114.58 119.63 1nqt h GLU 290 Ca 0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1nqt h GLU 290 Cb 0.71 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1nqt h GLU 290 CO -0.38 -0.06 0.00 -0.11 -1.00 0.00 0.00 179.01 177.46 1nqt n LEU 291 N -5.45 0.00 -0.13 1.33 7.94 -0.70 -1.37 117.00 118.62 1nqt n LEU 291 Ca 0.06 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.72 1nqt n LEU 291 Cb 0.36 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.23 1nqt n LEU 291 CO 0.01 0.00 -1.26 1.21 -1.11 0.00 0.00 177.39 176.24 1nqt n GLU 292 N -0.88 0.56 -0.22 1.96 2.13 0.24 -3.80 120.64 120.63 1nqt n GLU 292 Ca 0.14 0.24 -0.02 0.00 0.66 0.00 0.00 57.16 58.18 1nqt n GLU 292 Cb 0.06 -1.46 0.09 0.00 0.27 0.00 0.00 31.44 30.40 1nqt n GLU 292 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1nqt h ASP 293 N -0.98 0.56 0.32 4.31 3.32 -0.48 0.34 116.42 123.81 1nqt h ASP 293 Ca -0.54 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1nqt h ASP 293 Cb 1.46 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1nqt h ASP 293 CO -0.32 0.37 0.00 0.33 -1.72 0.00 0.00 179.24 177.90 1nqt n PHE 294 N -4.78 0.34 0.97 4.55 7.35 -0.47 0.08 117.46 125.51 1nqt n PHE 294 Ca 0.08 0.15 0.11 0.00 -0.76 0.00 0.00 57.45 57.02 1nqt n PHE 294 Cb 0.15 -0.74 -0.02 0.00 0.35 0.00 0.00 39.48 39.21 1nqt n PHE 294 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1nqt n LYS 295 N -1.82 1.10 -0.08 -4.13 3.00 0.03 -3.99 118.16 112.27 1nqt n LYS 295 Ca 0.01 -0.85 -0.14 0.00 -0.00 0.00 0.00 58.31 57.34 1nqt n LYS 295 Cb 0.11 -1.46 -0.07 0.00 0.00 0.00 0.00 35.03 33.61 1nqt n LYS 295 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1nqt n LEU 296 N -0.23 2.48 -0.13 3.14 7.99 0.45 -4.59 117.00 126.10 1nqt n LEU 296 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.08 1nqt n LEU 296 Cb 0.44 -0.56 0.27 0.00 -0.11 0.00 0.00 43.42 43.46 1nqt n LEU 296 CO 0.30 0.66 1.12 -0.61 -1.51 0.00 0.00 177.39 177.35 1nqt h GLN 297 N -0.18 0.82 0.00 3.23 4.15 -0.56 -3.44 115.11 119.13 1nqt h GLN 297 Ca -0.39 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1nqt h GLN 297 Cb 1.52 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.04 1nqt h GLN 297 CO -0.12 0.62 0.00 0.72 -1.93 0.00 0.00 178.83 178.12 1nqt n HIS 298 N -4.38 0.00 0.00 3.99 8.25 -1.26 -5.11 115.22 116.72 1nqt n HIS 298 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1nqt n HIS 298 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1nqt n HIS 298 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqt n GLY 299 N 5.00 1.13 0.00 -1.41 0.00 -1.26 -4.85 105.19 103.80 1nqt n GLY 299 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nqt n GLY 299 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nqt n SER 300 N -0.87 0.33 -0.20 1.61 2.88 -1.26 -4.77 113.62 111.34 1nqt n SER 300 Ca 0.00 -0.45 0.11 0.00 -1.33 0.00 0.00 58.87 57.20 1nqt n SER 300 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 1nqt n SER 300 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1nqt n ILE 301 N -0.37 0.00 -1.72 2.46 -5.35 -1.26 -4.37 119.36 108.74 1nqt n ILE 301 Ca 0.00 -0.11 -0.40 0.00 -0.27 0.00 0.00 62.75 61.98 1nqt n ILE 301 Cb 0.00 0.81 0.02 0.00 -1.74 0.00 0.00 39.64 38.73 1nqt n ILE 301 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1nqt n LEU 302 N -0.88 4.64 -3.30 7.28 4.77 -1.26 -3.37 117.00 124.89 1nqt n LEU 302 Ca 0.08 1.07 -0.17 0.00 -0.03 0.00 0.00 56.01 56.96 1nqt n LEU 302 Cb 0.38 -1.54 0.07 0.00 -2.33 0.00 0.00 43.42 39.99 1nqt n LEU 302 CO 0.34 -0.54 0.03 0.61 -1.33 0.00 0.00 177.39 176.49 1nqt n GLY 303 N 0.75 -1.09 3.61 -0.72 0.00 -1.26 -4.99 105.19 101.50 1nqt n GLY 303 Ca 0.07 0.54 -0.34 0.00 0.00 0.00 0.00 46.02 46.29 1nqt n GLY 303 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nqt s PHE 304 N -3.40 3.18 0.44 1.61 5.36 -1.22 -5.10 117.98 118.87 1nqt s PHE 304 Ca 0.42 0.01 -0.22 0.00 -0.96 0.00 0.00 56.93 56.19 1nqt s PHE 304 Cb -0.06 -1.98 -0.09 0.00 -0.34 0.00 0.00 43.02 40.55 1nqt s PHE 304 CO 0.75 0.19 1.02 -2.14 -1.46 0.00 0.00 175.22 173.58 1nqt s PRO 305 N 0.05 4.01 -0.16 10.12 0.02 -1.26 -3.66 135.00 144.11 1nqt s PRO 305 Ca 0.03 1.36 -0.00 0.00 0.02 0.00 0.00 61.00 62.42 1nqt s PRO 305 Cb -0.13 -2.27 0.00 0.00 0.02 0.00 0.00 34.50 32.13 1nqt s PRO 305 CO 0.02 -0.25 0.03 1.63 -0.33 0.00 0.00 177.00 178.09 1nqt n LYS 306 N -0.59 -0.34 -3.15 5.54 5.02 -1.26 -5.02 118.16 118.36 1nqt n LYS 306 Ca 0.07 0.09 0.06 0.00 -2.02 0.00 0.00 58.31 56.52 1nqt n LYS 306 Cb 0.52 -3.47 -0.02 0.00 -0.02 0.00 0.00 35.03 32.04 1nqt n LYS 306 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nqt s ALA 307 N -2.36 -3.87 0.70 7.82 0.00 -1.24 -4.91 121.76 117.90 1nqt s ALA 307 Ca 0.02 1.31 -0.15 0.00 0.00 0.00 0.00 51.96 53.14 1nqt s ALA 307 Cb -0.01 -2.61 0.02 0.00 0.00 0.00 0.00 23.12 20.53 1nqt s ALA 307 CO 0.02 -1.47 1.15 0.21 0.00 0.00 0.00 175.76 175.67 1nqt s LYS 308 N 2.92 2.43 -0.17 0.00 2.20 -0.97 -4.55 119.74 121.61 1nqt s LYS 308 Ca -0.09 1.54 -0.22 0.00 -0.36 0.00 0.00 55.97 56.84 1nqt s LYS 308 Cb -0.08 -1.89 -0.03 0.00 -1.51 0.00 0.00 37.83 34.32 1nqt s LYS 308 CO -0.08 -1.57 0.65 -2.14 -0.36 0.00 0.00 175.35 171.86 1nqt s PRO 309 N -4.08 4.27 0.09 4.03 0.02 -1.26 -1.21 135.00 136.86 1nqt s PRO 309 Ca 0.70 0.70 -0.06 0.00 0.02 0.00 0.00 61.00 62.35 1nqt s PRO 309 Cb -0.24 -3.54 -0.05 0.00 0.02 0.00 0.00 34.50 30.68 1nqt s PRO 309 CO 0.44 -0.17 0.34 -0.47 -0.33 0.00 0.00 177.00 176.82 1nqt s TYR 310 N 1.64 3.53 -0.24 6.54 5.04 -1.24 -4.93 117.35 127.69 1nqt s TYR 310 Ca 0.31 0.60 -0.10 0.00 -2.44 0.00 0.00 57.07 55.44 1nqt s TYR 310 Cb -0.16 -2.02 -0.05 0.00 0.35 0.00 0.00 41.96 40.08 1nqt s TYR 310 CO 0.12 0.51 0.15 -2.00 -1.34 0.00 0.00 175.55 172.99 1nqt s GLU 311 N -2.23 4.02 0.24 4.97 2.12 -1.26 -3.82 118.70 122.74 1nqt s GLU 311 Ca 0.35 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.39 1nqt s GLU 311 Cb -0.13 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.74 1nqt s GLU 311 CO 0.21 0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.37 1nqt n GLY 312 N 4.36 0.12 3.91 -1.50 0.00 -1.26 -4.98 105.19 105.85 1nqt n GLY 312 Ca -0.15 -1.74 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 1nqt n GLY 312 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nqt s SER 313 N -4.00 5.99 0.00 1.61 1.04 -1.26 -4.36 113.70 112.72 1nqt s SER 313 Ca 0.00 0.82 0.22 0.00 0.48 0.00 0.00 55.95 57.47 1nqt s SER 313 Cb 0.00 -2.01 0.52 0.00 0.10 0.00 0.00 66.02 64.63 1nqt s SER 313 CO 0.00 -0.77 1.45 2.30 0.98 0.00 0.00 173.24 177.19 1nqt n ILE 314 N -2.38 0.57 0.30 -1.02 -0.00 -1.26 -4.38 119.36 111.19 1nqt n ILE 314 Ca 0.02 -0.73 0.18 0.00 -0.00 0.00 0.00 62.75 62.22 1nqt n ILE 314 Cb 0.56 0.73 0.97 0.00 -0.00 0.00 0.00 39.64 41.89 1nqt n ILE 314 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1nqt h LEU 315 N 3.95 0.00 -1.72 7.28 4.07 -1.95 -1.80 115.31 125.13 1nqt h LEU 315 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1nqt h LEU 315 Cb 0.88 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.62 1nqt h LEU 315 CO 0.00 0.03 0.00 -0.62 -1.08 0.00 0.00 178.44 176.77 1nqt n GLU 316 N -3.45 1.36 -1.03 1.13 1.02 -1.26 -4.55 120.64 113.85 1nqt n GLU 316 Ca -0.02 -1.53 -0.34 0.00 -0.02 0.00 0.00 57.16 55.25 1nqt n GLU 316 Cb 0.13 -1.31 0.12 0.00 -0.02 0.00 0.00 31.44 30.36 1nqt n GLU 316 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nqt n ALA 317 N 0.91 -0.85 -2.45 0.62 0.00 -0.68 -4.43 120.51 113.63 1nqt n ALA 317 Ca 0.10 -0.39 -0.40 0.00 0.00 0.00 0.00 53.44 52.75 1nqt n ALA 317 Cb 0.41 -2.09 -0.05 0.00 0.00 0.00 0.00 19.45 17.72 1nqt n ALA 317 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nqt s ASP 318 N -2.04 7.26 -0.08 0.00 2.15 -1.26 -4.23 116.67 118.47 1nqt s ASP 318 Ca 0.68 1.51 -0.32 0.00 0.43 0.00 0.00 52.55 54.85 1nqt s ASP 318 Cb -0.28 -2.50 0.14 0.00 -0.30 0.00 0.00 42.92 39.98 1nqt s ASP 318 CO 0.56 -0.05 1.40 0.00 -0.17 0.00 0.00 175.17 176.91 1nqt h ASP 320 N 2.00 0.01 -3.43 0.00 3.45 0.73 -3.26 116.42 115.92 1nqt h ASP 320 Ca -0.32 -0.54 -0.66 0.00 0.43 0.00 0.00 57.03 55.95 1nqt h ASP 320 Cb 1.19 -0.00 -0.27 0.00 -0.56 0.00 0.00 39.33 39.69 1nqt h ASP 320 CO 0.30 1.48 -0.71 -0.63 -1.57 0.00 0.00 179.24 178.10 1nqt s ILE 321 N -2.36 3.49 -0.14 0.35 1.01 -0.01 -1.25 121.20 122.30 1nqt s ILE 321 Ca -0.28 -0.46 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 1nqt s ILE 321 Cb 0.05 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 1nqt s ILE 321 CO 0.60 0.40 -0.01 -0.22 0.00 0.00 0.00 174.94 175.71 1nqt s LEU 322 N 1.50 3.42 -0.30 2.97 0.20 0.11 -0.05 118.68 126.52 1nqt s LEU 322 Ca 0.06 -0.02 -0.02 0.00 0.69 0.00 0.00 54.13 54.83 1nqt s LEU 322 Cb -0.14 -1.82 0.10 0.00 -0.43 0.00 0.00 46.19 43.90 1nqt s LEU 322 CO -0.02 0.23 0.11 -0.51 -0.29 0.00 0.00 176.35 175.87 1nqt s ILE 323 N 0.02 0.48 -0.96 6.68 2.07 0.17 -0.42 121.20 129.24 1nqt s ILE 323 Ca 0.02 -1.16 -0.24 0.00 -1.41 0.00 0.00 60.65 57.86 1nqt s ILE 323 Cb -0.13 -1.38 -0.06 0.00 0.13 0.00 0.00 42.46 41.02 1nqt s ILE 323 CO 0.02 -0.71 1.95 -2.16 -1.91 0.00 0.00 174.94 172.13 1nqt s PRO 324 N 1.79 2.53 -0.68 3.50 0.04 -1.23 -0.68 135.00 140.26 1nqt s PRO 324 Ca 0.10 -0.46 0.01 0.00 0.04 0.00 0.00 61.00 60.69 1nqt s PRO 324 Cb -0.17 -5.10 0.39 0.00 0.04 0.00 0.00 34.50 29.66 1nqt s PRO 324 CO -0.29 -3.52 1.71 0.00 0.04 0.00 0.00 177.00 174.94 1nqt n ALA 325 N 14.13 6.00 -2.11 8.56 0.00 -0.86 -1.92 120.51 144.31 1nqt n ALA 325 Ca 0.41 -4.11 0.00 0.00 0.00 0.00 0.00 53.44 49.74 1nqt n ALA 325 Cb 0.47 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1nqt n ALA 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqt n ALA 326 N -0.56 0.00 -0.31 0.00 0.00 -1.20 -4.47 120.51 113.97 1nqt n ALA 326 Ca 0.50 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.65 1nqt n ALA 326 Cb 0.43 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.16 1nqt n ALA 326 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nqt n SER 327 N 0.00 -3.58 -3.62 0.00 7.64 -1.26 -4.76 113.62 108.04 1nqt n SER 327 Ca 0.00 -0.68 -0.23 0.00 1.01 0.00 0.00 58.87 58.97 1nqt n SER 327 Cb 0.00 -1.04 0.15 0.00 -1.01 0.00 0.00 64.21 62.31 1nqt n SER 327 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1nqt n GLU 328 N -5.32 -0.84 -0.68 1.43 2.13 -1.26 -4.57 120.64 111.54 1nqt n GLU 328 Ca 0.10 -1.75 0.00 0.00 0.66 0.00 0.00 57.16 56.17 1nqt n GLU 328 Cb 0.57 -0.99 0.00 0.00 0.27 0.00 0.00 31.44 31.29 1nqt n GLU 328 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1nqt n LYS 329 N -3.11 0.00 -0.05 5.31 2.85 -0.97 -4.77 118.16 117.42 1nqt n LYS 329 Ca 0.13 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.30 1nqt n LYS 329 Cb 0.47 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.70 1nqt n LYS 329 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1nqt n GLN 330 N -0.13 0.66 -3.75 -1.58 -0.06 -1.26 -4.74 117.38 106.53 1nqt n GLN 330 Ca 0.00 0.19 -0.37 0.00 -2.00 0.00 0.00 57.00 54.82 1nqt n GLN 330 Cb 0.00 -1.70 -0.11 0.00 -4.06 0.00 0.00 30.24 24.37 1nqt n GLN 330 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1nqt s LEU 331 N -5.93 5.27 0.42 1.69 1.02 -1.21 -5.00 118.68 114.94 1nqt s LEU 331 Ca -0.08 -1.98 0.08 0.00 0.02 0.00 0.00 54.13 52.17 1nqt s LEU 331 Cb 0.07 -1.85 -0.03 0.00 0.02 0.00 0.00 46.19 44.40 1nqt s LEU 331 CO 0.82 -0.55 0.34 0.42 0.02 0.00 0.00 176.35 177.40 1nqt s THR 332 N 1.18 2.58 0.58 5.49 -4.23 -1.26 -1.61 115.64 118.37 1nqt s THR 332 Ca 0.07 -1.41 0.33 0.00 -1.18 0.00 0.00 61.69 59.50 1nqt s THR 332 Cb -0.23 -2.99 0.48 0.00 1.34 0.00 0.00 72.50 71.10 1nqt s THR 332 CO -0.03 0.00 1.66 0.50 -0.54 0.00 0.00 174.62 176.21 1nqt h LYS 333 N 1.10 0.00 0.00 3.99 3.64 -1.92 -0.55 116.57 122.83 1nqt h LYS 333 Ca -0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1nqt h LYS 333 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1nqt h LYS 333 CO 0.60 0.00 0.00 0.45 -2.27 0.00 0.00 179.45 178.23 1nqt n SER 334 N -3.73 0.00 0.01 4.20 2.88 -1.26 -4.01 113.62 111.71 1nqt n SER 334 Ca 0.22 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1nqt n SER 334 Cb 1.24 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.72 1nqt n SER 334 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1nqt n ASN 335 N -0.00 0.02 -0.01 -3.46 2.04 -1.18 -3.72 115.26 108.95 1nqt n ASN 335 Ca 0.00 0.43 -0.01 0.00 -0.44 0.00 0.00 54.58 54.56 1nqt n ASN 335 Cb 0.00 -0.43 -0.01 0.00 -2.53 0.00 0.00 39.78 36.81 1nqt n ASN 335 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1nqt h ALA 336 N 1.66 -0.31 0.00 -2.53 0.00 -1.23 -1.23 119.26 115.62 1nqt h ALA 336 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nqt h ALA 336 Cb 0.17 0.76 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1nqt h ALA 336 CO 0.00 -0.34 0.31 -2.30 0.00 0.00 0.00 179.25 176.92 1nqt n PRO 337 N -2.94 0.08 -0.66 0.00 -0.02 -1.24 -1.75 135.00 128.47 1nqt n PRO 337 Ca -0.00 0.55 0.08 0.00 -2.02 0.00 0.00 63.50 62.10 1nqt n PRO 337 Cb 0.03 -2.08 0.34 0.00 -0.02 0.00 0.00 33.50 31.77 1nqt n PRO 337 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1nqt n ARG 338 N -2.00 3.91 -3.44 -0.52 1.74 -0.46 -4.93 116.66 110.96 1nqt n ARG 338 Ca -0.01 -2.70 -0.38 0.00 -0.77 0.00 0.00 57.85 53.99 1nqt n ARG 338 Cb 0.33 -1.98 -0.06 0.00 -1.02 0.00 0.00 32.46 29.72 1nqt n ARG 338 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1nqt s VAL 339 N -2.12 5.14 -0.36 1.55 -7.23 -0.72 -4.68 120.40 111.98 1nqt s VAL 339 Ca 0.48 0.82 0.23 0.00 -1.81 0.00 0.00 61.98 61.70 1nqt s VAL 339 Cb 0.33 -3.73 0.04 0.00 0.56 0.00 0.00 36.38 33.58 1nqt s VAL 339 CO 0.19 0.45 1.17 0.11 -0.31 0.00 0.00 175.10 176.71 1nqt h LYS 340 N 5.84 0.00 -7.04 4.82 1.79 -1.77 -3.47 116.57 116.73 1nqt h LYS 340 Ca -0.46 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.51 1nqt h LYS 340 Cb 1.19 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.91 1nqt h LYS 340 CO 0.69 0.00 0.46 0.00 -1.08 0.00 0.00 179.45 179.53 1nqt s ALA 341 N -3.30 2.86 -0.13 3.86 0.00 -1.23 -4.63 121.76 119.20 1nqt s ALA 341 Ca 0.02 0.89 0.18 0.00 0.00 0.00 0.00 51.96 53.05 1nqt s ALA 341 Cb 0.10 -3.38 -0.23 0.00 0.00 0.00 0.00 23.12 19.62 1nqt s ALA 341 CO 0.76 -0.71 0.46 1.63 0.00 0.00 0.00 175.76 177.91 1nqt n LYS 342 N -0.81 0.65 -4.28 0.00 4.76 -0.38 -4.87 118.16 113.23 1nqt n LYS 342 Ca 0.09 0.06 -0.28 0.00 -2.87 0.00 0.00 58.31 55.31 1nqt n LYS 342 Cb 0.49 -1.65 -0.17 0.00 -1.84 0.00 0.00 35.03 31.87 1nqt n LYS 342 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1nqt s ILE 343 N -2.84 1.43 -0.31 -0.18 1.01 -0.99 -1.20 121.20 118.13 1nqt s ILE 343 Ca -0.07 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 59.94 1nqt s ILE 343 Cb 0.09 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 41.25 1nqt s ILE 343 CO 0.84 0.43 0.07 -0.63 0.00 0.00 0.00 174.94 175.65 1nqt s ILE 344 N 1.19 3.77 -0.45 2.92 1.01 0.29 0.07 121.20 129.99 1nqt s ILE 344 Ca -0.03 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.57 1nqt s ILE 344 Cb -0.14 -3.01 0.06 0.00 0.01 0.00 0.00 42.46 39.38 1nqt s ILE 344 CO -0.04 -0.01 0.36 0.00 0.00 0.00 0.00 174.94 175.25 1nqt s ALA 345 N 1.44 3.52 -0.60 9.38 0.00 0.44 -1.03 121.76 134.91 1nqt s ALA 345 Ca 0.01 -2.03 -0.26 0.00 0.00 0.00 0.00 51.96 49.67 1nqt s ALA 345 Cb -0.18 -2.99 -0.05 0.00 0.00 0.00 0.00 23.12 19.89 1nqt s ALA 345 CO 0.02 -1.66 2.15 -1.21 0.00 0.00 0.00 175.76 175.06 1nqt s GLU 346 N 1.63 2.30 -0.32 0.00 2.02 -0.36 -3.56 118.70 120.42 1nqt s GLU 346 Ca 0.04 0.86 0.05 0.00 0.02 0.00 0.00 54.97 55.94 1nqt s GLU 346 Cb -0.23 -4.57 0.55 0.00 0.10 0.00 0.00 34.13 29.98 1nqt s GLU 346 CO 0.07 -3.18 1.66 0.41 0.02 0.00 0.00 175.26 174.24 1nqt n GLY 347 N 6.03 3.67 3.74 -1.39 0.00 -0.81 -3.71 105.19 112.72 1nqt n GLY 347 Ca 0.31 -0.82 -0.05 0.00 0.00 0.00 0.00 46.02 45.46 1nqt n GLY 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqt s ALA 348 N -2.52 -1.57 -0.15 4.61 0.00 -1.15 -4.35 121.76 116.62 1nqt s ALA 348 Ca 0.44 0.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.31 1nqt s ALA 348 Cb 0.36 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 24.13 1nqt s ALA 348 CO 0.09 -0.99 0.68 -0.80 0.00 0.00 0.00 175.76 174.74 1nqt s ASN 349 N -2.88 6.82 -1.21 0.00 0.01 -1.26 -4.31 114.94 112.11 1nqt s ASN 349 Ca 0.11 1.00 -0.00 0.00 -0.71 0.00 0.00 52.86 53.25 1nqt s ASN 349 Cb -0.02 -2.38 0.00 0.00 0.41 0.00 0.00 41.25 39.26 1nqt s ASN 349 CO 0.01 -0.23 0.02 0.61 -1.51 0.00 0.00 177.10 176.00 1nqt n GLY 350 N 3.50 -0.22 1.68 0.66 0.00 -1.26 -4.72 105.19 104.83 1nqt n GLY 350 Ca -0.01 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 1nqt n GLY 350 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nqt n PRO 351 N -2.39 1.40 -3.60 1.61 -0.04 -1.26 -2.30 135.00 128.41 1nqt n PRO 351 Ca -0.17 -0.78 -0.03 0.00 -0.04 0.00 0.00 63.50 62.49 1nqt n PRO 351 Cb 0.63 -1.31 -0.06 0.00 -0.04 0.00 0.00 33.50 32.72 1nqt n PRO 351 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1nqt s THR 352 N -1.14 -0.18 0.65 0.52 -4.23 -1.26 -3.29 115.64 106.71 1nqt s THR 352 Ca 0.15 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.56 1nqt s THR 352 Cb 0.12 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 72.95 1nqt s THR 352 CO -0.00 0.00 1.03 0.28 -0.54 0.00 0.00 174.62 175.39 1nqt s THR 353 N 1.76 4.10 0.49 3.99 -1.32 -0.63 -4.88 115.64 119.14 1nqt s THR 353 Ca -0.08 0.58 0.15 0.00 -1.21 0.00 0.00 61.69 61.13 1nqt s THR 353 Cb -0.05 -3.66 0.29 0.00 -1.51 0.00 0.00 72.50 67.57 1nqt s THR 353 CO -0.17 -0.84 2.09 -0.65 -2.21 0.00 0.00 174.62 172.84 1nqt h PRO 354 N -0.42 0.17 0.00 7.08 0.11 -1.97 -0.88 132.00 136.09 1nqt h PRO 354 Ca -0.45 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1nqt h PRO 354 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1nqt h PRO 354 CO 0.63 0.11 -0.00 0.93 -0.21 0.00 0.00 178.00 179.46 1nqt h GLU 355 N 0.18 -0.00 -0.61 1.05 4.39 -1.94 -2.79 114.58 114.86 1nqt h GLU 355 Ca 0.10 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.90 1nqt h GLU 355 Cb 0.18 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.75 1nqt h GLU 355 CO -0.02 0.44 0.20 0.00 -1.16 0.00 0.00 179.01 178.47 1nqt h ALA 356 N 0.55 0.77 0.04 3.43 0.00 -1.48 -1.27 119.26 121.31 1nqt h ALA 356 Ca -0.00 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1nqt h ALA 356 Cb 0.45 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1nqt h ALA 356 CO 0.00 -0.23 -0.42 -0.44 0.00 0.00 0.00 179.25 178.15 1nqt h ASP 357 N 0.36 -1.30 -1.28 0.00 3.32 -1.15 -0.13 116.42 116.24 1nqt h ASP 357 Ca 0.31 0.14 0.38 0.00 0.02 0.00 0.00 57.03 57.88 1nqt h ASP 357 Cb 0.42 0.49 -0.09 0.00 0.22 0.00 0.00 39.33 40.36 1nqt h ASP 357 CO -0.34 -0.43 0.86 0.50 -1.72 0.00 0.00 179.24 178.11 1nqt h LYS 358 N -0.57 0.14 0.00 3.56 3.64 -0.99 0.27 116.57 122.63 1nqt h LYS 358 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1nqt h LYS 358 Cb 0.59 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1nqt h LYS 358 CO -0.26 0.09 0.00 -0.89 -2.27 0.00 0.00 179.45 176.12 1nqt n ILE 359 N -4.46 0.00 -0.05 2.00 -0.00 -0.23 -2.81 119.36 113.80 1nqt n ILE 359 Ca 0.32 0.55 0.03 0.00 -0.00 0.00 0.00 62.75 63.64 1nqt n ILE 359 Cb 1.29 -1.11 0.05 0.00 -0.00 0.00 0.00 39.64 39.87 1nqt n ILE 359 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 1nqt n PHE 360 N -0.85 0.11 0.16 1.39 3.72 -0.25 0.25 117.46 121.99 1nqt n PHE 360 Ca 0.00 0.19 -0.14 0.00 -0.05 0.00 0.00 57.45 57.45 1nqt n PHE 360 Cb 0.00 -0.62 -0.08 0.00 -0.94 0.00 0.00 39.48 37.84 1nqt n PHE 360 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1nqt h LEU 361 N 0.00 -0.30 -2.02 4.37 4.07 -1.08 0.22 115.31 120.57 1nqt h LEU 361 Ca 0.10 -0.06 0.07 0.00 0.08 0.00 0.00 57.88 58.06 1nqt h LEU 361 Cb 0.21 0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1nqt h LEU 361 CO -0.15 -0.13 0.38 -0.08 -1.08 0.00 0.00 178.44 177.39 1nqt h GLU 362 N -0.46 0.00 -0.67 1.13 4.57 0.34 0.14 114.58 119.63 1nqt h GLU 362 Ca -0.04 0.00 -0.48 0.00 -1.18 0.00 0.00 59.36 57.66 1nqt h GLU 362 Cb 0.35 0.00 -0.36 0.00 -0.16 0.00 0.00 28.75 28.58 1nqt h GLU 362 CO 0.06 0.00 -0.62 2.89 -1.18 0.00 0.00 179.01 180.16 1nqt n ARG 363 N -3.43 3.25 -3.87 1.92 1.85 -1.02 -5.00 116.66 110.37 1nqt n ARG 363 Ca 0.03 -3.97 -0.36 0.00 -1.00 0.00 0.00 57.85 52.56 1nqt n ARG 363 Cb 0.50 -2.19 0.02 0.00 -1.05 0.00 0.00 32.46 29.74 1nqt n ARG 363 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1nqt n ASN 364 N -0.79 -4.78 -4.18 2.89 3.02 0.47 -4.97 115.26 106.93 1nqt n ASN 364 Ca 0.42 -1.09 -0.32 0.00 -0.03 0.00 0.00 54.58 53.56 1nqt n ASN 364 Cb 0.92 -2.22 -0.17 0.00 -0.61 0.00 0.00 39.78 37.70 1nqt n ASN 364 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1nqt s ILE 365 N -3.35 2.02 -0.21 2.41 1.01 0.72 -4.87 121.20 118.94 1nqt s ILE 365 Ca 0.34 -0.97 -0.20 0.00 0.00 0.00 0.00 60.65 59.82 1nqt s ILE 365 Cb -0.17 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 1nqt s ILE 365 CO 0.92 0.55 0.62 -0.32 0.00 0.00 0.00 174.94 176.70 1nqt s MET 366 N 0.68 4.19 -0.31 2.79 1.75 -0.34 -4.40 119.30 123.66 1nqt s MET 366 Ca -0.11 0.58 -0.04 0.00 -1.25 0.00 0.00 55.69 54.88 1nqt s MET 366 Cb -0.16 -3.59 0.04 0.00 2.84 0.00 0.00 34.83 33.97 1nqt s MET 366 CO 0.01 -0.25 0.04 0.08 -0.65 0.00 0.00 175.02 174.25 1nqt s VAL 367 N 1.96 3.30 -0.54 10.11 1.01 -1.26 -0.54 120.40 134.44 1nqt s VAL 367 Ca 0.28 -1.27 -0.25 0.00 0.00 0.00 0.00 61.98 60.73 1nqt s VAL 367 Cb -0.16 -2.88 0.04 0.00 0.00 0.00 0.00 36.38 33.38 1nqt s VAL 367 CO 0.10 -0.12 1.01 -0.63 0.00 0.00 0.00 175.10 175.45 1nqt s ILE 368 N 1.32 4.30 0.14 2.22 1.01 -0.19 -4.32 121.20 125.67 1nqt s ILE 368 Ca -0.04 0.52 -0.34 0.00 0.00 0.00 0.00 60.65 60.80 1nqt s ILE 368 Cb -0.20 -4.58 -0.17 0.00 0.01 0.00 0.00 42.46 37.53 1nqt s ILE 368 CO 0.00 -1.13 1.12 -2.65 0.00 0.00 0.00 174.94 172.28 1nqt n PRO 369 N 7.68 0.89 -0.13 2.79 -0.02 -1.26 -1.22 135.00 143.73 1nqt n PRO 369 Ca 0.04 0.32 -0.14 0.00 -2.02 0.00 0.00 63.50 61.70 1nqt n PRO 369 Cb 0.48 -1.80 -0.10 0.00 -0.02 0.00 0.00 33.50 32.07 1nqt n PRO 369 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1nqt h ASP 370 N 3.29 -1.84 -0.58 2.55 3.04 -1.80 0.62 116.42 121.69 1nqt h ASP 370 Ca -0.44 0.24 0.22 0.00 -3.24 0.00 0.00 57.03 53.81 1nqt h ASP 370 Cb 1.36 0.75 -0.08 0.00 -1.04 0.00 0.00 39.33 40.33 1nqt h ASP 370 CO 0.69 -0.41 0.35 -0.11 -2.04 0.00 0.00 179.24 177.72 1nqt n LEU 371 N -5.38 0.14 -0.04 0.15 7.94 -1.26 -0.95 117.00 117.60 1nqt n LEU 371 Ca -0.04 0.75 -0.06 0.00 -1.11 0.00 0.00 56.01 55.55 1nqt n LEU 371 Cb 0.35 -0.36 -0.02 0.00 0.53 0.00 0.00 43.42 43.91 1nqt n LEU 371 CO 0.01 -0.82 -0.42 0.00 -1.11 0.00 0.00 177.39 175.05 1nqt n TYR 372 N -3.87 0.00 0.03 1.96 4.19 0.12 -4.50 117.16 115.09 1nqt n TYR 372 Ca 0.19 0.00 -0.12 0.00 3.31 0.00 0.00 57.90 61.28 1nqt n TYR 372 Cb 0.70 -0.31 -0.05 0.00 0.49 0.00 0.00 39.34 40.17 1nqt n TYR 372 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 1nqt h LEU 373 N -0.61 -1.09 -5.61 2.98 5.85 0.84 -2.26 115.31 115.40 1nqt h LEU 373 Ca 0.00 0.15 -0.73 0.00 0.84 0.00 0.00 57.88 58.14 1nqt h LEU 373 Cb 0.61 0.44 -0.15 0.00 0.37 0.00 0.00 40.66 41.93 1nqt h LEU 373 CO 0.00 -0.40 1.97 -0.46 -0.34 0.00 0.00 178.44 179.21 1nqt n ASN 374 N -5.43 7.78 -0.20 1.25 2.04 -0.12 -3.74 115.26 116.84 1nqt n ASN 374 Ca -0.04 -3.25 0.02 0.00 -0.44 0.00 0.00 54.58 50.87 1nqt n ASN 374 Cb 0.34 -1.31 0.04 0.00 -2.53 0.00 0.00 39.78 36.32 1nqt n ASN 374 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1nqt n ALA 375 N 1.31 2.15 0.38 -2.53 0.00 -0.85 -4.60 120.51 116.37 1nqt n ALA 375 Ca 0.59 -0.93 -0.17 0.00 0.00 0.00 0.00 53.44 52.92 1nqt n ALA 375 Cb 0.28 -0.14 -0.08 0.00 0.00 0.00 0.00 19.45 19.50 1nqt n ALA 375 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nqt h GLY 376 N 0.69 -1.01 -0.96 0.00 0.00 -1.78 -2.43 103.07 97.58 1nqt h GLY 376 Ca 0.00 0.37 0.09 0.00 0.00 0.00 0.00 47.33 47.79 1nqt h GLY 376 CO 0.00 -0.37 -0.56 0.61 0.00 0.00 0.00 176.54 176.23 1nqt n GLY 377 N -1.11 -2.47 0.45 4.60 0.00 -1.26 -0.50 105.19 104.90 1nqt n GLY 377 Ca -0.13 1.14 -0.15 0.00 0.00 0.00 0.00 46.02 46.87 1nqt n GLY 377 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nqt h VAL 378 N 0.00 0.05 -0.65 1.61 2.07 -1.86 -0.30 116.25 117.17 1nqt h VAL 378 Ca 0.16 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.74 1nqt h VAL 378 Cb 0.40 0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 30.14 1nqt h VAL 378 CO -0.90 0.00 -0.38 0.41 0.02 0.00 0.00 177.57 176.72 1nqt n THR 379 N -5.46 -0.44 0.31 2.57 -1.04 0.34 0.15 114.28 110.71 1nqt n THR 379 Ca -0.07 1.87 0.19 0.00 -2.04 0.00 0.00 64.05 64.01 1nqt n THR 379 Cb 0.39 -2.35 1.05 0.00 -1.82 0.00 0.00 70.33 67.60 1nqt n THR 379 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1nqt h VAL 380 N 0.00 0.20 -0.31 12.58 2.07 -0.44 -2.08 116.25 128.27 1nqt h VAL 380 Ca 0.10 -0.11 -0.17 0.00 0.82 0.00 0.00 66.70 67.35 1nqt h VAL 380 Cb 0.27 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1nqt h VAL 380 CO -0.61 0.01 -0.45 0.77 0.02 0.00 0.00 177.57 177.31 1nqt h SER 381 N 0.00 0.94 0.12 0.57 4.64 0.30 -1.98 113.55 118.13 1nqt h SER 381 Ca -0.00 -0.51 0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1nqt h SER 381 Cb 0.08 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 61.86 1nqt h SER 381 CO 0.00 1.26 -0.51 0.22 -0.87 0.00 0.00 176.83 176.94 1nqt h TYR 382 N 0.64 -1.46 -0.77 4.77 -0.00 -0.50 -0.10 116.97 119.56 1nqt h TYR 382 Ca 0.03 0.04 0.16 0.00 -0.00 0.00 0.00 58.73 58.96 1nqt h TYR 382 Cb 1.06 0.62 -0.14 0.00 -0.00 0.00 0.00 36.73 38.26 1nqt h TYR 382 CO 0.07 -0.58 -0.17 0.74 -0.00 0.00 0.00 178.16 178.22 1nqt h PHE 383 N -0.73 -0.37 -0.23 -3.82 0.05 -1.40 0.12 116.94 110.56 1nqt h PHE 383 Ca 0.00 0.07 0.06 0.00 3.82 0.00 0.00 57.97 61.92 1nqt h PHE 383 Cb 0.75 0.28 -0.07 0.00 2.00 0.00 0.00 35.95 38.91 1nqt h PHE 383 CO -0.44 -0.32 -0.27 1.49 -0.18 0.00 0.00 178.31 178.59 1nqt h GLU 384 N 0.01 -0.28 -0.18 1.51 4.81 -0.32 2.29 114.58 122.42 1nqt h GLU 384 Ca 0.37 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.64 1nqt h GLU 384 Cb 0.59 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 1nqt h GLU 384 CO -0.78 -0.19 -0.21 2.35 -0.73 0.00 0.00 179.01 179.45 1nqt h TRP 385 N -0.29 -0.66 -0.59 0.92 7.01 0.84 0.35 115.95 123.54 1nqt h TRP 385 Ca 0.13 0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.28 1nqt h TRP 385 Cb 0.49 0.31 -0.09 0.00 -2.10 0.00 0.00 29.16 27.77 1nqt h TRP 385 CO -0.42 -0.18 0.04 -0.07 -2.79 0.00 0.00 178.44 175.02 1nqt h LEU 386 N -0.13 -0.18 -0.95 0.65 3.38 0.08 0.83 115.31 118.98 1nqt h LEU 386 Ca 0.03 0.14 0.19 0.00 0.09 0.00 0.00 57.88 58.33 1nqt h LEU 386 Cb 0.22 0.23 -0.11 0.00 0.09 0.00 0.00 40.66 41.08 1nqt h LEU 386 CO -0.24 -0.07 0.54 0.50 0.09 0.00 0.00 178.44 179.25 1nqt h LYS 387 N 0.15 0.63 -0.20 1.13 3.64 0.65 0.30 116.57 122.88 1nqt h LYS 387 Ca 0.31 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.52 1nqt h LYS 387 Cb 0.48 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1nqt h LYS 387 CO -0.47 0.42 -0.37 -0.91 -2.27 0.00 0.00 179.45 175.84 1nqt h ASN 388 N 0.65 0.68 0.05 4.20 4.21 0.43 -1.36 115.58 124.43 1nqt h ASN 388 Ca 0.56 -0.54 0.02 0.00 1.21 0.00 0.00 56.30 57.55 1nqt h ASN 388 Cb 0.93 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 37.90 1nqt h ASN 388 CO -0.42 1.09 -0.15 -0.07 -1.29 0.00 0.00 177.43 176.60 1nqt h LEU 389 N 0.29 -0.43 -2.58 1.61 3.38 0.12 0.97 115.31 118.67 1nqt h LEU 389 Ca 0.01 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1nqt h LEU 389 Cb 0.97 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1nqt h LEU 389 CO 0.08 -0.21 0.12 0.78 0.09 0.00 0.00 178.44 179.30 1nqt h ASN 390 N -0.27 0.00 -2.17 -0.43 2.35 -0.46 -3.45 115.58 111.15 1nqt h ASN 390 Ca 0.04 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.42 1nqt h ASN 390 Cb 0.31 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.60 1nqt h ASN 390 CO -0.11 0.00 -0.39 1.41 -1.65 0.00 0.00 177.43 176.68 1nqt n HIS 391 N -3.18 -0.62 -3.77 1.19 8.25 0.33 -4.95 115.22 112.46 1nqt n HIS 391 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 1nqt n HIS 391 Cb 0.19 -3.33 -0.10 0.00 1.12 0.00 0.00 29.99 27.88 1nqt n HIS 391 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nqt s VAL 392 N -2.69 0.04 -0.54 1.59 1.01 -1.17 -5.05 120.40 113.59 1nqt s VAL 392 Ca 0.00 -0.30 -0.28 0.00 0.00 0.00 0.00 61.98 61.39 1nqt s VAL 392 Cb 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.88 1nqt s VAL 392 CO 0.00 -0.17 1.28 -0.94 0.00 0.00 0.00 175.10 175.27 1nqt s SER 393 N -0.72 6.36 -0.15 3.32 1.04 -1.26 -4.80 113.70 117.49 1nqt s SER 393 Ca -0.08 0.29 -0.13 0.00 0.48 0.00 0.00 55.95 56.51 1nqt s SER 393 Cb -0.04 -2.55 -0.06 0.00 0.10 0.00 0.00 66.02 63.47 1nqt s SER 393 CO 0.02 -1.52 0.64 -1.22 0.98 0.00 0.00 173.24 172.14 1nqt n TYR 394 N 8.76 0.34 0.00 5.02 0.53 -1.26 -0.30 117.16 130.25 1nqt n TYR 394 Ca 0.11 0.23 0.00 0.00 -1.02 0.00 0.00 57.90 57.22 1nqt n TYR 394 Cb 0.49 -0.68 0.00 0.00 -1.03 0.00 0.00 39.34 38.12 1nqt n TYR 394 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1nqt n GLY 395 N 2.22 2.98 0.44 2.72 0.00 -1.26 -3.97 105.19 108.33 1nqt n GLY 395 Ca 0.16 0.00 0.37 0.00 0.00 0.00 0.00 46.02 46.55 1nqt n GLY 395 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nqt h ARG 396 N 2.20 0.06 0.00 1.61 1.12 -1.04 -1.00 114.38 117.33 1nqt h ARG 396 Ca 0.00 -0.00 -0.33 0.00 -1.11 0.00 0.00 59.98 58.54 1nqt h ARG 396 Cb 0.00 -0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 29.89 1nqt h ARG 396 CO 0.00 0.04 -2.00 1.28 -3.11 0.00 0.00 179.97 176.18 1nqt n LEU 397 N -4.80 0.51 -0.04 3.80 4.32 -1.26 -4.63 117.00 114.89 1nqt n LEU 397 Ca 0.38 0.24 -0.10 0.00 -0.02 0.00 0.00 56.01 56.51 1nqt n LEU 397 Cb 1.43 0.31 -0.15 0.00 -1.62 0.00 0.00 43.42 43.39 1nqt n LEU 397 CO 0.17 0.44 -0.73 0.35 -1.22 0.00 0.00 177.39 176.39 1nqt n THR 398 N -2.92 1.56 0.00 -5.08 -2.24 -0.48 -4.50 114.28 100.61 1nqt n THR 398 Ca -0.24 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 1nqt n THR 398 Cb 1.10 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 1nqt n THR 398 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1nqt n PHE 399 N -3.00 0.00 -0.20 4.78 0.99 -0.60 -0.49 117.46 118.94 1nqt n PHE 399 Ca -0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.19 1nqt n PHE 399 Cb 1.08 -0.28 0.07 0.00 -1.00 0.00 0.00 39.48 39.34 1nqt n PHE 399 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1nqt h LYS 400 N 0.00 0.59 -0.14 -1.08 1.63 -1.86 0.13 116.57 115.85 1nqt h LYS 400 Ca 0.00 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.81 1nqt h LYS 400 Cb 0.00 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.44 1nqt h LYS 400 CO 0.00 0.39 -0.18 -0.92 -3.45 0.00 0.00 179.45 175.29 1nqt h TYR 401 N 0.61 -0.47 -0.55 1.91 3.20 -1.29 -0.01 116.97 120.37 1nqt h TYR 401 Ca 0.25 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 1nqt h TYR 401 Cb 0.13 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1nqt h TYR 401 CO -0.08 -0.26 0.34 0.93 -1.64 0.00 0.00 178.16 177.45 1nqt h GLU 402 N -0.23 0.74 -0.60 1.82 5.08 -0.26 0.37 114.58 121.50 1nqt h GLU 402 Ca 0.10 -0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.52 1nqt h GLU 402 Cb 0.37 -0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.37 1nqt h GLU 402 CO -0.27 0.53 0.06 -0.09 -1.00 0.00 0.00 179.01 178.24 1nqt h ARG 403 N 0.74 0.17 0.79 2.33 1.12 -0.04 0.15 114.38 119.64 1nqt h ARG 403 Ca 0.20 -0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 59.02 1nqt h ARG 403 Cb -0.03 -0.04 0.01 0.00 -0.01 0.00 0.00 29.97 29.90 1nqt h ARG 403 CO -0.04 0.11 -0.38 -0.44 -3.11 0.00 0.00 179.97 176.12 1nqt h ASP 404 N 0.18 -0.90 -1.21 -3.80 3.45 -0.15 -1.99 116.42 112.00 1nqt h ASP 404 Ca 0.32 0.03 0.34 0.00 0.43 0.00 0.00 57.03 58.15 1nqt h ASP 404 Cb 0.50 0.23 -0.08 0.00 -0.56 0.00 0.00 39.33 39.43 1nqt h ASP 404 CO -0.47 -0.64 0.83 0.28 -1.57 0.00 0.00 179.24 177.67 1nqt h SER 405 N -1.06 0.19 -0.06 6.45 0.02 0.31 0.21 113.55 119.60 1nqt h SER 405 Ca -0.11 0.05 -0.24 0.00 -0.84 0.00 0.00 61.79 60.65 1nqt h SER 405 Cb 0.81 0.02 0.02 0.00 0.14 0.00 0.00 62.40 63.39 1nqt h SER 405 CO 0.18 0.00 -0.91 0.78 -1.14 0.00 0.00 176.83 175.74 1nqt h ASN 406 N 0.15 0.90 0.96 3.07 -0.26 -0.10 -2.01 115.58 118.28 1nqt h ASN 406 Ca 0.64 -0.70 -0.05 0.00 -0.56 0.00 0.00 56.30 55.63 1nqt h ASN 406 Cb 2.14 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 39.12 1nqt h ASN 406 CO -0.17 1.47 -0.24 1.88 -1.06 0.00 0.00 177.43 179.31 1nqt h TYR 407 N 0.41 0.00 0.00 1.19 0.05 0.02 -2.37 116.97 116.27 1nqt h TYR 407 Ca -0.10 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.55 1nqt h TYR 407 Cb 1.56 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.28 1nqt h TYR 407 CO 0.10 0.24 -0.65 0.45 -1.05 0.00 0.00 178.16 177.26 1nqt h HIS 408 N 0.00 0.00 0.00 4.88 3.86 -0.97 0.55 115.15 123.46 1nqt h HIS 408 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1nqt h HIS 408 Cb 0.79 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.26 1nqt h HIS 408 CO 0.00 0.65 0.00 -0.11 0.86 0.00 0.00 177.93 179.33 1nqt n LEU 409 N -3.54 0.51 -0.25 2.43 7.94 -0.77 -2.24 117.00 121.09 1nqt n LEU 409 Ca -0.00 0.58 -0.02 0.00 -1.11 0.00 0.00 56.01 55.46 1nqt n LEU 409 Cb 0.69 -0.32 0.01 0.00 0.53 0.00 0.00 43.42 44.33 1nqt n LEU 409 CO 0.42 -0.32 0.36 0.18 -1.11 0.00 0.00 177.39 176.91 1nqt n LEU 410 N -1.47 -0.47 -0.24 -1.96 4.77 -0.92 0.46 117.00 117.17 1nqt n LEU 410 Ca 0.00 1.12 0.21 0.00 -0.03 0.00 0.00 56.01 57.31 1nqt n LEU 410 Cb 0.00 -0.23 0.55 0.00 -2.33 0.00 0.00 43.42 41.40 1nqt n LEU 410 CO 0.00 -0.98 1.23 0.24 -1.33 0.00 0.00 177.39 176.54 1nqt h MET 411 N 0.00 0.33 0.08 3.23 2.86 -0.91 -1.13 114.93 119.39 1nqt h MET 411 Ca 0.20 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1nqt h MET 411 Cb 0.36 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1nqt h MET 411 CO -0.63 0.22 -0.04 0.77 1.06 0.00 0.00 176.91 178.29 1nqt h SER 412 N 0.34 -0.09 -0.91 1.22 0.02 0.47 -1.99 113.55 112.62 1nqt h SER 412 Ca 0.47 -0.52 0.26 0.00 -0.84 0.00 0.00 61.79 61.16 1nqt h SER 412 Cb 1.29 0.02 -0.15 0.00 0.14 0.00 0.00 62.40 63.70 1nqt h SER 412 CO -0.16 0.56 0.28 0.58 -1.14 0.00 0.00 176.83 176.94 1nqt h VAL 413 N -0.82 0.28 -0.44 2.27 2.07 -1.09 0.38 116.25 118.90 1nqt h VAL 413 Ca -0.01 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 1nqt h VAL 413 Cb 0.61 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1nqt h VAL 413 CO 0.02 0.04 -0.07 -0.61 0.02 0.00 0.00 177.57 176.96 1nqt h GLN 414 N 0.20 0.78 0.01 1.57 4.15 -1.14 -1.18 115.11 119.49 1nqt h GLN 414 Ca 0.59 -0.24 -0.00 0.00 0.77 0.00 0.00 58.65 59.77 1nqt h GLN 414 Cb 1.24 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1nqt h GLN 414 CO -0.67 0.83 -0.00 0.93 -1.93 0.00 0.00 178.83 177.99 1nqt h GLU 415 N 0.71 -0.01 0.00 1.69 5.08 -0.30 -2.62 114.58 119.13 1nqt h GLU 415 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1nqt h GLU 415 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1nqt h GLU 415 CO 0.03 0.74 0.00 0.43 -1.00 0.00 0.00 179.01 179.22 1nqt n SER 416 N -4.72 0.00 -0.00 1.42 7.64 0.12 -0.42 113.62 117.65 1nqt n SER 416 Ca -0.09 0.19 0.03 0.00 1.01 0.00 0.00 58.87 60.02 1nqt n SER 416 Cb 0.37 -0.25 -0.04 0.00 -1.01 0.00 0.00 64.21 63.28 1nqt n SER 416 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1nqt n LEU 417 N -1.25 0.28 -0.26 -3.43 4.32 -0.46 -4.27 117.00 111.93 1nqt n LEU 417 Ca 0.02 -0.43 0.11 0.00 -0.02 0.00 0.00 56.01 55.68 1nqt n LEU 417 Cb 0.03 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 1nqt n LEU 417 CO 0.03 0.07 0.21 -0.62 -1.22 0.00 0.00 177.39 175.86 1nqt n GLU 418 N -1.24 0.65 -2.66 3.23 1.02 0.44 -4.16 120.64 117.93 1nqt n GLU 418 Ca 0.01 -0.52 -0.37 0.00 -0.02 0.00 0.00 57.16 56.25 1nqt n GLU 418 Cb 0.12 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 30.05 1nqt n GLU 418 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nqt n ARG 419 N -0.72 4.69 -2.53 3.49 1.74 -0.36 -3.58 116.66 119.40 1nqt n ARG 419 Ca 0.07 -4.63 -0.03 0.00 -0.77 0.00 0.00 57.85 52.49 1nqt n ARG 419 Cb 0.40 -2.40 -0.02 0.00 -1.02 0.00 0.00 32.46 29.43 1nqt n ARG 419 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1nqt n LYS 420 N -0.15 0.15 0.00 5.56 4.81 -1.26 -4.99 118.16 122.29 1nqt n LYS 420 Ca 0.43 -0.60 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1nqt n LYS 420 Cb 0.30 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.35 1nqt n LYS 420 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1nqt n PHE 421 N -0.47 0.00 0.00 5.64 -0.00 -1.23 -5.04 117.46 116.36 1nqt n PHE 421 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.20 1nqt n PHE 421 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.11 1nqt n PHE 421 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nqt n GLY 422 N 0.00 0.00 0.00 7.13 0.00 -1.26 -4.77 105.19 106.29 1nqt n GLY 422 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nqt n GLY 422 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nqt n LYS 423 N -0.51 0.00 -0.74 1.61 5.02 -1.26 -4.87 118.16 117.40 1nqt n LYS 423 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1nqt n LYS 423 Cb 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.13 1nqt n LYS 423 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1nqt n HIS 424 N 0.00 0.00 -0.27 2.13 1.44 -1.26 -4.73 115.22 112.53 1nqt n HIS 424 Ca 0.00 -0.96 0.00 0.00 -2.01 0.00 0.00 57.72 54.75 1nqt n HIS 424 Cb 0.00 -0.18 0.00 0.00 0.12 0.00 0.00 29.99 29.93 1nqt n HIS 424 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1nqt n GLY 425 N -0.60 0.14 0.00 -1.39 0.00 -1.26 -5.06 105.19 97.02 1nqt n GLY 425 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1nqt n GLY 425 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nqt n GLY 426 N 0.00 -2.88 3.67 -0.02 0.00 -1.26 -4.65 105.19 100.05 1nqt n GLY 426 Ca 0.00 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1nqt n GLY 426 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nqt s THR 427 N -0.79 4.26 -0.76 2.61 -4.23 -1.26 -5.02 115.64 110.44 1nqt s THR 427 Ca 0.00 1.54 -0.08 0.00 -1.18 0.00 0.00 61.69 61.97 1nqt s THR 427 Cb 0.00 -3.99 0.20 0.00 1.34 0.00 0.00 72.50 70.05 1nqt s THR 427 CO 0.00 -0.10 0.65 0.27 -0.54 0.00 0.00 174.62 174.90 1nqt s ILE 428 N 3.19 4.75 -0.04 2.99 -0.00 -1.26 -4.80 121.20 126.03 1nqt s ILE 428 Ca 0.55 -2.83 0.03 0.00 -0.00 0.00 0.00 60.65 58.40 1nqt s ILE 428 Cb -0.23 -3.98 -0.25 0.00 -0.00 0.00 0.00 42.46 38.00 1nqt s ILE 428 CO 0.17 -0.98 0.66 -0.65 -0.00 0.00 0.00 174.94 174.14 1nqt h PRO 429 N 7.27 0.13 0.00 0.37 0.11 -1.91 -3.35 132.00 134.62 1nqt h PRO 429 Ca 0.06 -0.22 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1nqt h PRO 429 Cb 0.98 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1nqt h PRO 429 CO 0.75 0.86 0.38 0.44 -0.21 0.00 0.00 178.00 180.22 1nqt n ILE 430 N -3.27 0.00 -3.49 4.15 -5.35 -1.26 -4.33 119.36 105.81 1nqt n ILE 430 Ca -0.20 0.38 -0.38 0.00 -0.27 0.00 0.00 62.75 62.28 1nqt n ILE 430 Cb 1.04 -1.12 -0.09 0.00 -1.74 0.00 0.00 39.64 37.74 1nqt n ILE 430 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1nqt s VAL 431 N -1.51 5.25 0.49 7.28 0.11 -1.26 -4.89 120.40 125.88 1nqt s VAL 431 Ca 0.00 0.48 -0.19 0.00 -2.93 0.00 0.00 61.98 59.34 1nqt s VAL 431 Cb 0.00 -3.64 -0.08 0.00 -1.53 0.00 0.00 36.38 31.13 1nqt s VAL 431 CO 0.00 0.27 1.02 -2.84 -3.33 0.00 0.00 175.10 170.21 1nqt s PRO 432 N 1.38 3.84 0.76 1.54 0.02 -1.26 -4.99 135.00 136.29 1nqt s PRO 432 Ca 0.14 1.24 -0.15 0.00 0.02 0.00 0.00 61.00 62.25 1nqt s PRO 432 Cb -0.15 -2.11 0.01 0.00 0.02 0.00 0.00 34.50 32.28 1nqt s PRO 432 CO 0.07 -0.38 0.86 -2.37 -0.33 0.00 0.00 177.00 174.86 1nqt n THR 433 N -1.11 2.16 0.00 0.99 5.66 -1.26 -4.62 114.28 116.10 1nqt n THR 433 Ca 0.08 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 1nqt n THR 433 Cb 0.53 -0.99 0.00 0.00 -1.55 0.00 0.00 70.33 68.32 1nqt n THR 433 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nqt n ALA 434 N -2.74 -0.15 -0.26 1.79 0.00 -1.26 -1.30 120.51 116.59 1nqt n ALA 434 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.50 1nqt n ALA 434 Cb 0.50 0.34 -0.05 0.00 0.00 0.00 0.00 19.45 20.25 1nqt n ALA 434 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nqt n GLU 435 N -2.68 -0.25 -0.16 0.00 4.71 -1.26 0.05 120.64 121.05 1nqt n GLU 435 Ca 0.00 0.96 -0.09 0.00 -0.01 0.00 0.00 57.16 58.02 1nqt n GLU 435 Cb 0.00 -1.41 -0.04 0.00 -1.01 0.00 0.00 31.44 28.98 1nqt n GLU 435 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1nqt h PHE 436 N 0.00 -1.24 -0.25 -0.32 -0.00 -1.72 0.37 116.94 113.78 1nqt h PHE 436 Ca 0.12 0.07 0.07 0.00 -0.00 0.00 0.00 57.97 58.24 1nqt h PHE 436 Cb 0.28 0.61 -0.01 0.00 -0.00 0.00 0.00 35.95 36.83 1nqt h PHE 436 CO -0.63 -0.43 0.20 0.37 -0.00 0.00 0.00 178.31 177.82 1nqt h GLN 437 N -0.29 0.00 -0.00 1.11 5.75 0.97 0.27 115.11 122.92 1nqt h GLN 437 Ca 0.15 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 1nqt h GLN 437 Cb 0.57 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.12 1nqt h GLN 437 CO -0.61 0.00 -0.19 -0.25 -2.65 0.00 0.00 178.83 175.12 1nqt n ASP 438 N -4.26 0.66 -0.01 -0.69 10.43 0.12 -2.22 116.55 120.59 1nqt n ASP 438 Ca 0.03 -0.62 0.07 0.00 2.57 0.00 0.00 54.79 56.84 1nqt n ASP 438 Cb 0.35 0.01 -0.10 0.00 1.84 0.00 0.00 41.12 43.22 1nqt n ASP 438 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 1nqt n ARG 439 N -0.91 0.75 0.01 -1.24 0.63 0.74 -3.93 116.66 112.71 1nqt n ARG 439 Ca 0.13 -0.10 -0.22 0.00 -0.92 0.00 0.00 57.85 56.73 1nqt n ARG 439 Cb 0.31 -1.29 -0.14 0.00 0.45 0.00 0.00 32.46 31.80 1nqt n ARG 439 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1nqt h ILE 440 N 0.00 0.76 0.00 5.15 2.04 -1.05 -3.29 117.51 121.13 1nqt h ILE 440 Ca 0.00 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.50 1nqt h ILE 440 Cb 0.56 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 1nqt h ILE 440 CO 0.00 0.80 0.00 0.77 0.00 0.00 0.00 178.15 179.72 1nqt h SER 441 N -0.09 0.00 -1.30 1.72 4.64 -1.67 -3.17 113.55 113.68 1nqt h SER 441 Ca -0.39 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.48 1nqt h SER 441 Cb 1.93 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 63.61 1nqt h SER 441 CO 0.07 0.00 -1.04 0.61 -0.87 0.00 0.00 176.83 175.60 1nqt n GLY 442 N 0.17 3.19 3.79 -0.77 0.00 -1.25 -5.07 105.19 105.25 1nqt n GLY 442 Ca 0.02 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 1nqt n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqt s ALA 443 N -3.19 3.00 0.05 4.61 0.00 -1.20 -4.86 121.76 120.15 1nqt s ALA 443 Ca 0.35 0.61 -0.28 0.00 0.00 0.00 0.00 51.96 52.64 1nqt s ALA 443 Cb 0.42 -3.24 0.09 0.00 0.00 0.00 0.00 23.12 20.39 1nqt s ALA 443 CO -0.05 -0.18 0.93 -1.54 0.00 0.00 0.00 175.76 174.92 1nqt s SER 444 N -1.83 -0.29 0.26 0.00 1.04 -1.26 -5.03 113.70 106.59 1nqt s SER 444 Ca 0.62 -0.14 -0.01 0.00 0.48 0.00 0.00 55.95 56.90 1nqt s SER 444 Cb -0.17 0.41 0.52 0.00 0.10 0.00 0.00 66.02 66.88 1nqt s SER 444 CO 0.22 -0.70 1.78 -0.08 0.98 0.00 0.00 173.24 175.44 1nqt h GLU 445 N 2.00 0.70 -0.95 4.02 4.81 -1.90 -1.18 114.58 122.07 1nqt h GLU 445 Ca -0.23 -0.04 0.22 0.00 -0.13 0.00 0.00 59.36 59.18 1nqt h GLU 445 Cb 1.24 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 30.38 1nqt h GLU 445 CO 0.29 0.46 0.63 -0.22 -0.73 0.00 0.00 179.01 179.44 1nqt h LYS 446 N 0.72 0.40 -0.34 1.92 3.64 -1.89 0.23 116.57 121.24 1nqt h LYS 446 Ca 0.46 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.70 1nqt h LYS 446 Cb 0.59 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1nqt h LYS 446 CO -0.32 0.26 -0.29 -0.44 -2.27 0.00 0.00 179.45 176.39 1nqt h ASP 447 N 0.41 0.75 0.29 4.20 3.32 -1.56 0.22 116.42 124.04 1nqt h ASP 447 Ca 0.51 -0.29 -0.15 0.00 0.02 0.00 0.00 57.03 57.13 1nqt h ASP 447 Cb 1.28 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1nqt h ASP 447 CO -0.21 0.99 -0.58 0.40 -1.72 0.00 0.00 179.24 178.12 1nqt h ILE 448 N 0.62 1.37 -0.09 0.35 1.08 -1.02 -2.01 117.51 117.81 1nqt h ILE 448 Ca 0.08 -1.90 -0.17 0.00 -0.39 0.00 0.00 64.86 62.48 1nqt h ILE 448 Cb 0.80 1.93 0.01 0.00 -3.07 0.00 0.00 36.82 36.49 1nqt h ILE 448 CO 0.07 0.57 -0.60 0.58 -0.69 0.00 0.00 178.15 178.08 1nqt h VAL 449 N 0.23 1.36 -0.55 1.67 2.07 -0.94 -2.11 116.25 117.98 1nqt h VAL 449 Ca -0.00 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 65.60 1nqt h VAL 449 Cb 1.08 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 33.06 1nqt h VAL 449 CO 0.09 0.58 0.35 0.45 0.02 0.00 0.00 177.57 179.06 1nqt h HIS 450 N 0.16 0.71 -0.28 1.57 3.86 -0.51 -0.14 115.15 120.52 1nqt h HIS 450 Ca -0.05 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1nqt h HIS 450 Cb 1.25 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.47 1nqt h HIS 450 CO 0.11 0.47 0.09 0.77 0.86 0.00 0.00 177.93 180.23 1nqt h SER 451 N 0.74 0.41 -0.10 2.45 0.02 -1.41 -1.12 113.55 114.55 1nqt h SER 451 Ca 0.20 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1nqt h SER 451 Cb -0.05 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 1nqt h SER 451 CO -0.04 0.50 0.07 1.23 -1.14 0.00 0.00 176.83 177.45 1nqt h GLY 452 N 0.30 0.04 0.74 -3.77 0.00 -1.06 -1.32 103.07 97.99 1nqt h GLY 452 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 1nqt h GLY 452 CO -0.00 0.01 -0.29 -2.00 0.00 0.00 0.00 176.54 174.25 1nqt h LEU 453 N 0.03 -0.70 -0.41 3.11 6.46 -0.33 -2.48 115.31 120.99 1nqt h LEU 453 Ca 0.04 -0.02 0.08 0.00 -0.12 0.00 0.00 57.88 57.86 1nqt h LEU 453 Cb 0.14 0.18 -0.09 0.00 -0.73 0.00 0.00 40.66 40.16 1nqt h LEU 453 CO -0.00 -0.34 -0.30 0.00 -0.62 0.00 0.00 178.44 177.18 1nqt h ALA 454 N -0.92 -0.12 -0.19 1.25 0.00 -0.72 -0.59 119.26 117.98 1nqt h ALA 454 Ca -0.08 0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1nqt h ALA 454 Cb 0.68 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 1nqt h ALA 454 CO 0.14 -0.69 -0.19 -0.92 0.00 0.00 0.00 179.25 177.59 1nqt h TYR 455 N -0.23 -0.48 -0.06 0.00 5.03 -1.29 0.14 116.97 120.08 1nqt h TYR 455 Ca 0.18 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.50 1nqt h TYR 455 Cb 0.52 0.24 -0.01 0.00 1.55 0.00 0.00 36.73 39.04 1nqt h TYR 455 CO -0.52 -0.26 -0.07 1.15 -1.32 0.00 0.00 178.16 177.13 1nqt h THR 456 N -0.21 1.09 0.22 1.81 2.02 -0.73 -0.69 112.91 116.43 1nqt h THR 456 Ca 0.12 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1nqt h THR 456 Cb 0.39 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1nqt h THR 456 CO -0.31 0.12 -0.11 0.24 0.37 0.00 0.00 175.52 175.83 1nqt h MET 457 N 0.08 -0.29 0.02 6.66 2.86 0.32 -2.40 114.93 122.19 1nqt h MET 457 Ca 0.02 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1nqt h MET 457 Cb 0.18 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 1nqt h MET 457 CO 0.01 0.09 -0.48 1.49 1.06 0.00 0.00 176.91 179.08 1nqt h GLU 458 N -0.79 -0.60 -0.81 1.72 4.81 -0.35 0.37 114.58 118.94 1nqt h GLU 458 Ca -0.03 0.04 0.19 0.00 -0.13 0.00 0.00 59.36 59.43 1nqt h GLU 458 Cb 0.51 0.14 -0.12 0.00 0.63 0.00 0.00 28.75 29.91 1nqt h GLU 458 CO 0.05 -0.40 0.28 -0.09 -0.73 0.00 0.00 179.01 178.12 1nqt h ARG 459 N -0.62 0.33 0.67 1.92 2.43 -1.23 -0.54 114.38 117.33 1nqt h ARG 459 Ca 0.01 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1nqt h ARG 459 Cb 0.66 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1nqt h ARG 459 CO -0.31 0.22 -0.32 0.77 -1.51 0.00 0.00 179.97 178.82 1nqt h SER 460 N 0.34 -0.76 -0.63 -3.80 0.02 -0.85 -1.93 113.55 105.94 1nqt h SER 460 Ca 0.48 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.51 1nqt h SER 460 Cb 0.86 0.20 -0.08 0.00 0.14 0.00 0.00 62.40 63.52 1nqt h SER 460 CO -0.52 -0.39 -0.37 0.00 -1.14 0.00 0.00 176.83 174.41 1nqt n ALA 461 N -2.68 -0.40 0.07 3.77 0.00 0.12 0.87 120.51 122.25 1nqt n ALA 461 Ca -0.11 0.54 -0.11 0.00 0.00 0.00 0.00 53.44 53.76 1nqt n ALA 461 Cb 0.35 -0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.67 1nqt n ALA 461 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqt h ARG 462 N 0.00 -0.47 -0.50 0.00 2.47 -1.14 0.39 114.38 115.12 1nqt h ARG 462 Ca 0.10 0.03 0.05 0.00 -1.26 0.00 0.00 59.98 58.90 1nqt h ARG 462 Cb 0.26 0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 28.63 1nqt h ARG 462 CO -0.59 -0.32 -0.30 1.04 0.56 0.00 0.00 179.97 180.36 1nqt n GLN 463 N -4.46 -0.22 0.00 0.04 6.02 0.25 -0.20 117.38 118.81 1nqt n GLN 463 Ca -0.06 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.77 1nqt n GLN 463 Cb 0.27 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.30 1nqt n GLN 463 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1nqt n ILE 464 N -4.44 0.00 -0.22 5.09 5.41 0.03 -1.07 119.36 124.16 1nqt n ILE 464 Ca 0.01 1.41 0.08 0.00 1.00 0.00 0.00 62.75 65.25 1nqt n ILE 464 Cb 0.13 -2.15 0.16 0.00 -0.71 0.00 0.00 39.64 37.08 1nqt n ILE 464 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 1nqt n MET 465 N -2.21 -0.05 -0.12 0.38 2.81 0.72 0.12 117.12 118.77 1nqt n MET 465 Ca 0.00 0.96 -0.11 0.00 -1.81 0.00 0.00 57.70 56.74 1nqt n MET 465 Cb 0.00 -1.51 -0.03 0.00 -0.71 0.00 0.00 33.22 30.97 1nqt n MET 465 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nqt h ARG 466 N 0.00 0.68 0.00 0.03 3.08 -0.39 -2.30 114.38 115.48 1nqt h ARG 466 Ca 0.37 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1nqt h ARG 466 Cb 0.72 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1nqt h ARG 466 CO -0.61 0.85 0.00 0.25 -1.07 0.00 0.00 179.97 179.38 1nqt n THR 467 N -4.40 0.50 -0.10 2.04 -2.24 0.33 -1.41 114.28 109.01 1nqt n THR 467 Ca -0.02 0.12 -0.19 0.00 -2.27 0.00 0.00 64.05 61.69 1nqt n THR 467 Cb 0.34 -0.79 -0.11 0.00 -2.10 0.00 0.00 70.33 67.67 1nqt n THR 467 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nqt h ALA 468 N 2.83 0.20 -0.47 6.98 0.00 -1.00 -3.19 119.26 124.62 1nqt h ALA 468 Ca 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 54.91 53.87 1nqt h ALA 468 Cb 0.25 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1nqt h ALA 468 CO 0.00 0.56 0.26 0.52 0.00 0.00 0.00 179.25 180.59 1nqt h MET 469 N -1.00 0.63 1.00 0.00 2.07 -1.30 0.36 114.93 116.69 1nqt h MET 469 Ca -0.26 -0.06 -0.05 0.00 -2.07 0.00 0.00 59.70 57.26 1nqt h MET 469 Cb 1.19 -0.13 0.01 0.00 -1.87 0.00 0.00 31.60 30.79 1nqt h MET 469 CO -0.16 0.46 -0.49 -0.22 1.07 0.00 0.00 176.91 177.58 1nqt h LYS 470 N 0.64 -1.30 -1.82 1.72 1.63 -1.37 -2.72 116.57 113.35 1nqt h LYS 470 Ca 0.17 0.09 -0.34 0.00 -0.85 0.00 0.00 60.65 59.71 1nqt h LYS 470 Cb 0.01 0.30 -0.13 0.00 -0.60 0.00 0.00 32.23 31.80 1nqt h LYS 470 CO -0.03 -0.87 0.25 0.66 -3.45 0.00 0.00 179.45 176.01 1nqt n TYR 471 N -5.67 1.19 -1.19 1.91 4.01 -1.08 -4.86 117.16 111.46 1nqt n TYR 471 Ca -0.17 -1.80 0.00 0.00 -0.16 0.00 0.00 57.90 55.77 1nqt n TYR 471 Cb 0.53 -1.18 0.00 0.00 -0.31 0.00 0.00 39.34 38.38 1nqt n TYR 471 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1nqt n ASN 472 N 0.99 0.00 -3.18 7.72 5.03 -0.87 -4.84 115.26 120.10 1nqt n ASN 472 Ca 0.37 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.82 1nqt n ASN 472 Cb 0.61 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.37 1nqt n ASN 472 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1nqt n LEU 473 N -0.38 0.00 0.00 3.41 4.77 0.06 -4.99 117.00 119.87 1nqt n LEU 473 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1nqt n LEU 473 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1nqt n LEU 473 CO 0.00 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.20 1nqt n GLY 474 N 2.57 1.09 1.48 -0.72 0.00 -1.26 -4.77 105.19 103.58 1nqt n GLY 474 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1nqt n GLY 474 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nqt n LEU 475 N 0.00 5.02 -3.61 0.99 4.32 -1.26 -4.68 117.00 117.77 1nqt n LEU 475 Ca 0.00 -3.22 -0.41 0.00 -0.02 0.00 0.00 56.01 52.36 1nqt n LEU 475 Cb 0.00 -0.66 -0.00 0.00 -1.62 0.00 0.00 43.42 41.14 1nqt n LEU 475 CO 0.00 0.82 2.32 -0.67 -1.22 0.00 0.00 177.39 178.64 1nqt n ASP 476 N -0.36 6.92 0.29 -1.43 2.03 -1.26 -4.33 116.55 118.40 1nqt n ASP 476 Ca 0.32 -3.08 0.14 0.00 0.52 0.00 0.00 54.79 52.68 1nqt n ASP 476 Cb 1.15 -1.42 0.85 0.00 -0.72 0.00 0.00 41.12 40.98 1nqt n ASP 476 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1nqt h LEU 477 N 6.61 0.00 -0.08 -2.67 4.07 -1.84 -2.81 115.31 118.59 1nqt h LEU 477 Ca 0.60 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.50 1nqt h LEU 477 Cb 0.43 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1nqt h LEU 477 CO 1.57 0.03 -0.16 -0.09 -1.08 0.00 0.00 178.44 178.70 1nqt h ARG 478 N 0.00 0.25 0.00 1.13 2.43 -1.83 -2.34 114.38 114.01 1nqt h ARG 478 Ca -0.00 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1nqt h ARG 478 Cb 0.08 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1nqt h ARG 478 CO 0.00 0.76 0.00 0.25 -1.51 0.00 0.00 179.97 179.47 1nqt n THR 479 N -4.58 0.38 0.09 0.20 -2.24 -1.11 -1.38 114.28 105.64 1nqt n THR 479 Ca -0.08 -0.02 -0.04 0.00 -2.27 0.00 0.00 64.05 61.65 1nqt n THR 479 Cb 0.39 -0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 67.95 1nqt n THR 479 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nqt h ALA 480 N 2.74 -0.51 -0.95 6.98 0.00 -1.46 -2.25 119.26 123.81 1nqt h ALA 480 Ca 0.00 -0.06 0.26 0.00 0.00 0.00 0.00 54.91 55.11 1nqt h ALA 480 Cb 0.51 0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.27 1nqt h ALA 480 CO 0.00 -0.49 0.46 0.00 0.00 0.00 0.00 179.25 179.22 1nqt h ALA 481 N -1.62 1.64 -0.43 0.00 0.00 -1.25 1.06 119.26 118.67 1nqt h ALA 481 Ca -0.03 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1nqt h ALA 481 Cb 0.20 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1nqt h ALA 481 CO 0.04 -0.42 -0.05 1.88 0.00 0.00 0.00 179.25 180.70 1nqt h TYR 482 N 0.38 0.77 0.40 0.00 0.05 -1.28 -0.84 116.97 116.46 1nqt h TYR 482 Ca 0.63 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 59.27 1nqt h TYR 482 Cb 1.30 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.83 1nqt h TYR 482 CO -0.09 0.75 -0.19 0.28 -1.05 0.00 0.00 178.16 177.86 1nqt h VAL 483 N 0.67 0.60 -1.07 -2.88 2.07 0.16 0.67 116.25 116.47 1nqt h VAL 483 Ca 0.13 -0.24 0.29 0.00 0.82 0.00 0.00 66.70 67.69 1nqt h VAL 483 Cb 0.49 0.72 -0.10 0.00 -1.52 0.00 0.00 31.29 30.88 1nqt h VAL 483 CO 0.03 0.05 0.68 -1.13 0.02 0.00 0.00 177.57 177.22 1nqt h ASN 484 N -0.68 0.44 0.23 0.57 -1.24 -0.05 0.14 115.58 114.98 1nqt h ASN 484 Ca -0.06 0.10 -0.32 0.00 0.71 0.00 0.00 56.30 56.73 1nqt h ASN 484 Cb 0.49 0.03 0.03 0.00 0.73 0.00 0.00 38.32 39.60 1nqt h ASN 484 CO 0.09 0.05 -1.46 0.00 -1.29 0.00 0.00 177.43 174.82 1nqt h ALA 485 N 1.63 -0.10 -0.51 1.57 0.00 -0.81 -2.88 119.26 118.16 1nqt h ALA 485 Ca 0.63 -0.89 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1nqt h ALA 485 Cb 1.62 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 1nqt h ALA 485 CO -0.33 0.71 0.17 0.82 0.00 0.00 0.00 179.25 180.62 1nqt h ILE 486 N 0.07 1.20 0.00 0.00 2.04 0.64 -1.39 117.51 120.07 1nqt h ILE 486 Ca -0.26 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 1nqt h ILE 486 Cb 2.10 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.80 1nqt h ILE 486 CO 0.24 0.26 -0.25 -0.08 0.00 0.00 0.00 178.15 178.32 1nqt h GLU 487 N 0.74 0.00 0.00 2.37 4.81 -0.82 0.10 114.58 121.78 1nqt h GLU 487 Ca 0.17 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1nqt h GLU 487 Cb 0.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1nqt h GLU 487 CO -0.01 0.25 -0.37 0.87 -0.73 0.00 0.00 179.01 179.03 1nqt h LYS 488 N 0.00 0.00 -0.60 1.92 1.57 -1.15 -3.12 116.57 115.19 1nqt h LYS 488 Ca -0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1nqt h LYS 488 Cb 0.61 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1nqt h LYS 488 CO 0.03 0.93 0.39 0.28 -0.57 0.00 0.00 179.45 180.52 1nqt h VAL 489 N -1.00 1.10 0.11 0.50 2.07 -1.29 -2.67 116.25 115.07 1nqt h VAL 489 Ca -0.10 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1nqt h VAL 489 Cb 1.03 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1nqt h VAL 489 CO -0.06 0.13 -0.05 0.15 0.02 0.00 0.00 177.57 177.76 1nqt h PHE 490 N 0.73 -0.13 -0.25 1.57 3.57 -0.91 -2.96 116.94 118.56 1nqt h PHE 490 Ca 0.23 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.76 1nqt h PHE 490 Cb 0.03 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 1nqt h PHE 490 CO -0.00 0.22 -0.27 -0.22 -2.23 0.00 0.00 178.31 175.81 1nqt h LYS 491 N -0.51 -0.15 -0.99 1.11 3.64 -1.41 0.39 116.57 118.65 1nqt h LYS 491 Ca -0.01 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 1nqt h LYS 491 Cb 0.41 0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.13 1nqt h LYS 491 CO 0.02 -0.10 -0.48 0.28 -2.27 0.00 0.00 179.45 176.91 1nqt h VAL 492 N -0.15 0.00 0.01 2.00 2.07 -1.57 0.43 116.25 119.04 1nqt h VAL 492 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1nqt h VAL 492 Cb 0.27 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.00 1nqt h VAL 492 CO -0.32 0.00 -0.25 1.88 0.02 0.00 0.00 177.57 178.91 1nqt h TYR 493 N -0.01 -0.66 -0.40 1.57 0.05 -0.99 -2.90 116.97 113.63 1nqt h TYR 493 Ca 0.26 0.02 0.01 0.00 0.05 0.00 0.00 58.73 59.07 1nqt h TYR 493 Cb 0.51 0.29 -0.02 0.00 1.01 0.00 0.00 36.73 38.52 1nqt h TYR 493 CO -0.94 -0.34 0.25 -0.97 -1.05 0.00 0.00 178.16 175.11 1nqt h ASN 494 N -0.39 0.41 0.00 3.88 -0.00 0.19 -0.64 115.58 119.03 1nqt h ASN 494 Ca 0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.36 1nqt h ASN 494 Cb 0.47 -0.09 0.00 0.00 -0.00 0.00 0.00 38.32 38.69 1nqt h ASN 494 CO -0.21 0.30 0.00 1.21 -0.00 0.00 0.00 177.43 178.72 1nqt n GLU 495 N -4.84 0.21 0.00 6.67 4.07 0.13 -3.66 120.64 123.21 1nqt n GLU 495 Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1nqt n GLU 495 Cb 0.05 -1.08 0.00 0.00 -0.06 0.00 0.00 31.44 30.34 1nqt n GLU 495 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1nqt n ALA 496 N 0.22 1.86 0.00 4.31 0.00 -0.97 -5.04 120.51 120.89 1nqt n ALA 496 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nqt n ALA 496 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1nqt n ALA 496 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqt n GLY 497 N 0.53 0.71 0.00 0.00 0.00 -0.29 -4.15 105.19 101.99 1nqt n GLY 497 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1nqt n GLY 497 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nqt n VAL 498 N 9.00 0.00 0.09 1.61 0.24 -1.26 -4.34 118.33 123.67 1nqt n VAL 498 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.32 1nqt n VAL 498 Cb 0.00 -0.52 -0.03 0.00 -1.47 0.00 0.00 33.84 31.82 1nqt n VAL 498 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1nqt h THR 499 N 0.00 0.60 -2.29 3.34 2.02 -2.02 -3.21 112.91 111.36 1nqt h THR 499 Ca 0.00 -1.99 -0.62 0.00 0.77 0.00 0.00 66.41 64.57 1nqt h THR 499 Cb 0.00 2.15 -0.40 0.00 -1.74 0.00 0.00 68.15 68.16 1nqt h THR 499 CO 0.00 0.34 -0.40 0.49 0.37 0.00 0.00 175.52 176.32 1nqt n PHE 500 N -3.02 3.82 1.17 3.16 3.01 -1.26 -5.29 117.46 119.06 1nqt n PHE 500 Ca -0.04 -3.82 0.13 0.00 1.01 0.00 0.00 57.45 54.73 1nqt n PHE 500 Cb 0.77 -0.60 0.25 0.00 -0.01 0.00 0.00 39.48 39.88 1nqt n PHE 500 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40