#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqt s PRO 7 N 0.00 3.02 0.30 0.11 0.04 -1.26 -5.08 135.00 132.13 1nqt s PRO 7 Ca 0.00 -0.99 -0.27 0.00 0.04 0.00 0.00 61.00 59.78 1nqt s PRO 7 Cb 0.00 -2.76 -0.10 0.00 0.04 0.00 0.00 34.50 31.68 1nqt s PRO 7 CO 0.00 -0.09 0.96 -0.80 0.04 0.00 0.00 177.00 177.11 1nqt s ASN 8 N -4.23 7.38 0.20 6.66 0.01 -1.26 -4.92 114.94 118.78 1nqt s ASN 8 Ca 0.48 1.90 -0.04 0.00 -0.71 0.00 0.00 52.86 54.49 1nqt s ASN 8 Cb -0.10 -2.59 0.39 0.00 0.41 0.00 0.00 41.25 39.36 1nqt s ASN 8 CO 0.33 -0.04 1.10 2.22 -1.51 0.00 0.00 177.10 179.20 1nqt n PHE 9 N 0.79 0.31 0.05 2.20 1.16 -1.26 -0.54 117.46 120.17 1nqt n PHE 9 Ca 0.01 0.86 -0.11 0.00 -1.87 0.00 0.00 57.45 56.34 1nqt n PHE 9 Cb 0.49 -0.94 -0.04 0.00 -1.61 0.00 0.00 39.48 37.37 1nqt n PHE 9 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1nqt h PHE 10 N 0.00 -0.56 0.00 2.97 3.57 -1.92 -1.16 116.94 119.84 1nqt h PHE 10 Ca 0.36 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.88 1nqt h PHE 10 Cb 0.62 0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1nqt h PHE 10 CO -0.49 -0.30 0.00 1.63 -2.23 0.00 0.00 178.31 176.92 1nqt n LYS 11 N -5.34 0.17 -0.07 1.11 4.76 0.30 -1.23 118.16 117.85 1nqt n LYS 11 Ca -0.05 0.52 -0.07 0.00 -2.87 0.00 0.00 58.31 55.84 1nqt n LYS 11 Cb 0.26 -1.90 -0.05 0.00 -1.84 0.00 0.00 35.03 31.50 1nqt n LYS 11 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 1nqt h MET 12 N 0.00 0.00 -0.29 1.97 2.86 -0.92 -2.98 114.93 115.57 1nqt h MET 12 Ca 0.00 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1nqt h MET 12 Cb 0.20 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 1nqt h MET 12 CO 0.00 0.36 0.07 0.28 1.06 0.00 0.00 176.91 178.68 1nqt h VAL 13 N -1.00 0.88 0.00 -2.22 2.07 -1.11 0.91 116.25 115.77 1nqt h VAL 13 Ca -0.04 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1nqt h VAL 13 Cb 0.50 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1nqt h VAL 13 CO -0.03 0.03 -0.07 -0.08 0.02 0.00 0.00 177.57 177.45 1nqt h GLU 14 N 0.18 0.00 0.18 1.57 4.81 -1.35 0.25 114.58 120.23 1nqt h GLU 14 Ca 0.13 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.12 1nqt h GLU 14 Cb 0.13 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.54 1nqt h GLU 14 CO -0.17 0.07 -1.05 0.78 -0.73 0.00 0.00 179.01 177.91 1nqt h GLY 15 N 0.37 0.46 0.60 1.92 0.00 -0.60 -2.55 103.07 103.28 1nqt h GLY 15 Ca -0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 47.33 46.16 1nqt h GLY 15 CO 0.01 1.01 -0.49 0.74 0.00 0.00 0.00 176.54 177.80 1nqt h PHE 16 N -0.16 -1.36 -0.29 5.60 0.05 0.18 -2.18 116.94 118.78 1nqt h PHE 16 Ca -0.18 0.00 0.05 0.00 3.82 0.00 0.00 57.97 61.66 1nqt h PHE 16 Cb 1.83 0.52 -0.08 0.00 2.00 0.00 0.00 35.95 40.21 1nqt h PHE 16 CO 0.17 -0.68 -0.48 0.35 -0.18 0.00 0.00 178.31 177.49 1nqt h PHE 17 N -1.05 -1.43 0.00 -0.55 3.57 -0.64 0.16 116.94 117.00 1nqt h PHE 17 Ca -0.07 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1nqt h PHE 17 Cb 0.89 0.66 0.00 0.00 2.79 0.00 0.00 35.95 40.29 1nqt h PHE 17 CO -0.21 -0.49 0.10 -0.44 -2.23 0.00 0.00 178.31 175.04 1nqt h ASP 18 N -0.44 0.00 0.25 0.41 3.32 -1.42 0.33 116.42 118.88 1nqt h ASP 18 Ca 0.09 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1nqt h ASP 18 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1nqt h ASP 18 CO -0.51 0.00 -0.12 -0.09 -1.72 0.00 0.00 179.24 176.80 1nqt h ARG 19 N 0.00 -0.32 0.32 3.56 2.43 -0.08 -3.00 114.38 117.29 1nqt h ARG 19 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1nqt h ARG 19 Cb 0.20 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1nqt h ARG 19 CO 0.00 -0.21 -0.48 0.78 -1.51 0.00 0.00 179.97 178.55 1nqt h GLY 20 N -0.81 -1.10 -0.64 2.80 0.00 -0.26 -2.16 103.07 100.89 1nqt h GLY 20 Ca -0.03 0.56 0.19 0.00 0.00 0.00 0.00 47.33 48.05 1nqt h GLY 20 CO 0.06 -0.32 0.07 0.00 0.00 0.00 0.00 176.54 176.35 1nqt n ALA 21 N -2.83 0.39 0.02 3.60 0.00 0.11 0.12 120.51 121.92 1nqt n ALA 21 Ca -0.10 0.68 -0.19 0.00 0.00 0.00 0.00 53.44 53.84 1nqt n ALA 21 Cb 0.43 -0.53 -0.11 0.00 0.00 0.00 0.00 19.45 19.23 1nqt n ALA 21 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1nqt h SER 22 N 0.00 0.64 -0.26 0.00 0.87 -1.29 -1.90 113.55 111.62 1nqt h SER 22 Ca 0.42 -0.78 0.06 0.00 -1.23 0.00 0.00 61.79 60.26 1nqt h SER 22 Cb 0.92 -0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 62.61 1nqt h SER 22 CO -0.58 1.34 -0.26 0.40 -0.53 0.00 0.00 176.83 177.20 1nqt h ILE 23 N 0.01 0.36 0.56 2.23 2.04 0.15 -3.24 117.51 119.63 1nqt h ILE 23 Ca -0.10 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1nqt h ILE 23 Cb 1.48 0.36 0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1nqt h ILE 23 CO 0.15 0.00 -0.27 0.58 0.00 0.00 0.00 178.15 178.61 1nqt h VAL 24 N -0.26 0.00 0.00 1.67 2.07 -0.87 -3.37 116.25 115.49 1nqt h VAL 24 Ca 0.14 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1nqt h VAL 24 Cb 0.48 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1nqt h VAL 24 CO -0.41 0.00 0.00 1.21 0.02 0.00 0.00 177.57 178.39 1nqt n GLU 25 N -4.13 0.00 0.00 1.57 2.13 -0.71 -1.38 120.64 118.12 1nqt n GLU 25 Ca -0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.73 1nqt n GLU 25 Cb 0.30 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.01 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 -2.38 0.00 -0.55 4.31 8.00 -1.26 -2.00 116.55 122.67 1nqt n ASP 26 Ca 0.00 0.91 0.00 0.00 0.71 0.00 0.00 54.79 56.41 1nqt n ASP 26 Cb 0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1nqt n ASP 26 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1nqt n LYS 27 N -1.95 0.54 -0.11 -1.24 4.81 -0.48 -0.58 118.16 119.16 1nqt n LYS 27 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 1nqt n LYS 27 Cb 0.00 -1.26 0.10 0.00 0.02 0.00 0.00 35.03 33.88 1nqt n LYS 27 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1nqt n LEU 28 N 0.29 2.53 0.00 3.14 7.94 -0.74 -4.45 117.00 125.70 1nqt n LEU 28 Ca 0.00 -2.35 0.00 0.00 -1.11 0.00 0.00 56.01 52.55 1nqt n LEU 28 Cb 0.15 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 43.89 1nqt n LEU 28 CO 0.00 0.62 0.00 0.52 -1.11 0.00 0.00 177.39 177.42 1nqt n VAL 29 N -0.45 0.00 0.00 1.96 0.31 0.26 -4.86 118.33 115.55 1nqt n VAL 29 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1nqt n VAL 29 Cb 0.45 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 1nqt n VAL 29 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1nqt n GLU 30 N -1.31 0.00 0.00 5.55 0.28 -0.99 -2.40 120.64 121.76 1nqt n GLU 30 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1nqt n GLU 30 Cb 0.00 -0.31 0.00 0.00 1.43 0.00 0.00 31.44 32.56 1nqt n GLU 30 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1nqt n ASP 31 N -0.24 0.34 -2.57 -1.84 3.85 -1.26 -0.64 116.55 114.19 1nqt n ASP 31 Ca 0.00 -1.51 -0.03 0.00 -0.71 0.00 0.00 54.79 52.54 1nqt n ASP 31 Cb 0.00 -0.17 0.05 0.00 -1.35 0.00 0.00 41.12 39.65 1nqt n ASP 31 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1nqt n LEU 32 N -0.22 1.96 0.00 -2.12 4.77 -1.26 -4.90 117.00 115.22 1nqt n LEU 32 Ca 0.00 -3.15 0.00 0.00 -0.03 0.00 0.00 56.01 52.83 1nqt n LEU 32 Cb 0.08 0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1nqt n LEU 32 CO 0.00 1.12 0.00 -1.14 -1.33 0.00 0.00 177.39 176.04 1nqt n ARG 33 N -0.51 0.00 -1.36 3.23 3.00 -1.17 -4.66 116.66 115.20 1nqt n ARG 33 Ca 0.12 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.59 1nqt n ARG 33 Cb 0.85 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 33.29 1nqt n ARG 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1nqt n THR 34 N 0.00 3.39 -2.33 5.15 -1.04 0.19 -3.42 114.28 116.22 1nqt n THR 34 Ca 0.00 -2.44 -0.04 0.00 -2.04 0.00 0.00 64.05 59.53 1nqt n THR 34 Cb 0.00 -2.50 0.01 0.00 -1.82 0.00 0.00 70.33 66.02 1nqt n THR 34 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1nqt n ARG 35 N 5.06 0.57 0.00 -2.82 1.74 -1.26 -4.76 116.66 115.19 1nqt n ARG 35 Ca 0.60 -1.36 0.00 0.00 -0.77 0.00 0.00 57.85 56.32 1nqt n ARG 35 Cb 0.30 0.27 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 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 -0.49 0.00 0.00 5.56 0.28 -1.22 -5.16 120.64 119.60 1nqt n GLU 36 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.82 1nqt n GLU 36 Cb 0.82 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.69 1nqt n GLU 36 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1nqt n SER 37 N 0.00 0.00 -3.40 -1.84 7.64 -1.26 -4.97 113.62 109.79 1nqt n SER 37 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 1nqt n SER 37 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1nqt n SER 37 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1nqt s GLU 38 N 0.00 0.59 -1.46 1.43 2.02 -1.26 -4.91 118.70 115.11 1nqt s GLU 38 Ca 0.00 -0.98 -0.09 0.00 0.02 0.00 0.00 54.97 53.92 1nqt s GLU 38 Cb 0.00 -0.92 0.04 0.00 0.10 0.00 0.00 34.13 33.36 1nqt s GLU 38 CO 0.00 -1.19 0.80 0.39 0.02 0.00 0.00 175.26 175.28 1nqt n GLU 39 N 4.24 -5.33 -2.08 1.61 -0.58 -1.26 -2.88 120.64 114.35 1nqt n GLU 39 Ca 0.11 0.71 -0.10 0.00 -0.42 0.00 0.00 57.16 57.46 1nqt n GLU 39 Cb 0.42 -5.59 -0.02 0.00 -0.57 0.00 0.00 31.44 25.69 1nqt n GLU 39 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1nqt n GLN 40 N -4.34 -1.27 -0.94 3.49 -0.06 -1.26 -4.53 117.38 108.47 1nqt n GLN 40 Ca -0.02 0.03 -0.04 0.00 -2.00 0.00 0.00 57.00 54.96 1nqt n GLN 40 Cb 0.56 -1.79 0.29 0.00 -4.06 0.00 0.00 30.24 25.25 1nqt n GLN 40 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1nqt n LYS 41 N -1.49 3.41 0.04 3.69 4.76 -1.14 -3.79 118.16 123.65 1nqt n LYS 41 Ca 0.03 -3.07 -0.02 0.00 -2.87 0.00 0.00 58.31 52.37 1nqt n LYS 41 Cb 0.18 -2.13 -0.08 0.00 -1.84 0.00 0.00 35.03 31.16 1nqt n LYS 41 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 1nqt h ARG 42 N 2.36 0.00 -0.99 1.97 0.11 -1.80 -3.14 114.38 112.89 1nqt h ARG 42 Ca 0.24 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.30 1nqt h ARG 42 Cb 2.18 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.25 1nqt h ARG 42 CO 0.65 0.45 0.02 -1.71 0.10 0.00 0.00 179.97 179.48 1nqt n ASN 43 N -3.03 2.45 0.00 0.08 5.15 -1.25 -0.56 115.26 118.09 1nqt n ASN 43 Ca -0.08 -2.07 0.00 0.00 -0.60 0.00 0.00 54.58 51.83 1nqt n ASN 43 Cb 0.87 -0.52 0.00 0.00 -0.53 0.00 0.00 39.78 39.61 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 0.29 0.21 -0.23 1.20 3.00 -1.18 -4.62 116.66 115.32 1nqt n ARG 44 Ca 0.03 -0.41 0.08 0.00 -0.00 0.00 0.00 57.85 57.54 1nqt n ARG 44 Cb 0.48 -0.60 0.20 0.00 0.00 0.00 0.00 32.46 32.54 1nqt n ARG 44 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1nqt n VAL 45 N -0.05 0.96 0.43 5.15 3.14 0.27 -4.25 118.33 123.98 1nqt n VAL 45 Ca 0.00 -0.98 0.12 0.00 -2.96 0.00 0.00 64.34 60.52 1nqt n VAL 45 Cb 0.33 0.53 0.48 0.00 -1.06 0.00 0.00 33.84 34.12 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 0.88 0.22 -0.33 1.45 1.85 -1.25 -2.69 116.66 116.79 1nqt n ARG 46 Ca 0.16 0.39 0.18 0.00 -1.00 0.00 0.00 57.85 57.58 1nqt n ARG 46 Cb 0.49 -1.88 0.42 0.00 -1.05 0.00 0.00 32.46 30.44 1nqt n ARG 46 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1nqt h GLY 47 N 2.67 1.53 -0.94 2.89 0.00 -1.94 0.21 103.07 107.49 1nqt h GLY 47 Ca 0.00 -0.28 0.16 0.00 0.00 0.00 0.00 47.33 47.21 1nqt h GLY 47 CO 0.00 -0.13 -0.34 -2.22 0.00 0.00 0.00 176.54 173.85 1nqt h ILE 48 N 0.56 0.02 -0.47 2.60 1.08 -1.87 1.29 117.51 120.72 1nqt h ILE 48 Ca 0.59 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 65.14 1nqt h ILE 48 Cb 1.22 0.02 -0.06 0.00 -3.07 0.00 0.00 36.82 34.93 1nqt h ILE 48 CO -0.36 0.00 0.09 -0.07 -0.69 0.00 0.00 178.15 177.12 1nqt h LEU 49 N -0.01 -0.00 -1.33 1.44 3.38 -0.83 0.19 115.31 118.14 1nqt h LEU 49 Ca 0.37 0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.57 1nqt h LEU 49 Cb 0.63 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 1nqt h LEU 49 CO -0.97 0.03 0.57 0.03 0.09 0.00 0.00 178.44 178.19 1nqt h ARG 50 N 0.22 0.62 -0.00 1.13 3.08 0.16 0.25 114.38 119.84 1nqt h ARG 50 Ca 0.23 -0.04 -0.24 0.00 0.07 0.00 0.00 59.98 60.00 1nqt h ARG 50 Cb 0.30 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.22 1nqt h ARG 50 CO -0.31 0.41 -0.98 0.82 -1.07 0.00 0.00 179.97 178.85 1nqt h ILE 51 N 0.64 1.35 0.36 2.04 2.04 0.18 -3.33 117.51 120.79 1nqt h ILE 51 Ca 0.44 -2.36 -0.01 0.00 1.00 0.00 0.00 64.86 63.92 1nqt h ILE 51 Cb 0.77 2.40 -0.00 0.00 -0.74 0.00 0.00 36.82 39.25 1nqt h ILE 51 CO -0.20 0.72 -0.20 0.40 0.00 0.00 0.00 178.15 178.87 1nqt h ILE 52 N 0.30 0.60 -0.93 -0.67 1.08 0.22 -3.31 117.51 114.78 1nqt h ILE 52 Ca -0.10 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.53 1nqt h ILE 52 Cb 1.62 0.60 -0.16 0.00 -3.07 0.00 0.00 36.82 35.81 1nqt h ILE 52 CO 0.18 0.00 -0.32 1.17 -0.69 0.00 0.00 178.15 178.49 1nqt n LYS 53 N -5.32 -0.17 -3.26 2.37 4.81 0.20 -4.68 118.16 112.11 1nqt n LYS 53 Ca -0.10 1.45 -0.28 0.00 -0.87 0.00 0.00 58.31 58.51 1nqt n LYS 53 Cb 0.23 -2.15 -0.02 0.00 0.02 0.00 0.00 35.03 33.11 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 -5.99 3.60 0.75 1.64 0.04 -1.25 -5.03 135.00 128.76 1nqt s PRO 54 Ca -0.13 -0.03 -0.14 0.00 0.04 0.00 0.00 61.00 60.74 1nqt s PRO 54 Cb 0.21 -2.61 0.05 0.00 0.04 0.00 0.00 34.50 32.19 1nqt s PRO 54 CO 0.69 0.15 1.18 0.00 0.04 0.00 0.00 177.00 179.06 1nqt n ASN 56 N -2.93 0.32 -4.03 0.00 3.02 -0.14 -4.97 115.26 106.52 1nqt n ASN 56 Ca 0.13 0.15 -0.08 0.00 -0.03 0.00 0.00 54.58 54.74 1nqt n ASN 56 Cb 0.51 0.66 -0.11 0.00 -0.61 0.00 0.00 39.78 40.23 1nqt n ASN 56 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1nqt s HIS 57 N -2.58 0.39 -0.30 3.10 3.76 -1.17 -5.06 115.29 113.43 1nqt s HIS 57 Ca -0.08 -0.76 -0.08 0.00 -0.15 0.00 0.00 55.06 53.99 1nqt s HIS 57 Cb 0.07 -0.28 0.16 0.00 1.11 0.00 0.00 32.58 33.63 1nqt s HIS 57 CO 0.83 -0.27 0.68 0.54 -0.85 0.00 0.00 174.74 175.68 1nqt s VAL 58 N -2.53 -0.92 -0.17 -0.90 0.11 -1.26 -1.77 120.40 112.96 1nqt s VAL 58 Ca -0.06 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.93 1nqt s VAL 58 Cb -0.02 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1nqt s VAL 58 CO -0.05 0.00 0.02 -0.22 -3.33 0.00 0.00 175.10 171.53 1nqt s LEU 59 N 2.85 3.61 -0.01 2.54 2.96 -0.53 -4.98 118.68 125.10 1nqt s LEU 59 Ca 0.04 0.01 0.07 0.00 -0.22 0.00 0.00 54.13 54.02 1nqt s LEU 59 Cb -0.12 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 1nqt s LEU 59 CO -0.19 0.18 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.37 1nqt s SER 60 N 0.30 3.48 0.22 3.68 0.01 -1.26 -1.01 113.70 119.12 1nqt s SER 60 Ca 0.01 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1nqt s SER 60 Cb -0.13 -0.54 -0.04 0.00 0.21 0.00 0.00 66.02 65.52 1nqt s SER 60 CO 0.01 0.31 0.15 -0.76 0.41 0.00 0.00 173.24 173.36 1nqt s LEU 61 N -0.83 1.26 -0.01 2.44 1.02 0.89 -4.99 118.68 118.47 1nqt s LEU 61 Ca 0.11 -1.44 0.00 0.00 0.02 0.00 0.00 54.13 52.83 1nqt s LEU 61 Cb -0.10 0.37 0.01 0.00 0.02 0.00 0.00 46.19 46.49 1nqt s LEU 61 CO 0.01 -0.86 -0.00 -0.94 0.02 0.00 0.00 176.35 174.57 1nqt s SER 62 N -3.20 0.21 -0.27 2.29 1.04 -1.26 -2.23 113.70 110.29 1nqt s SER 62 Ca 0.39 -0.02 -0.21 0.00 0.48 0.00 0.00 55.95 56.60 1nqt s SER 62 Cb 0.06 -0.07 0.07 0.00 0.10 0.00 0.00 66.02 66.19 1nqt s SER 62 CO 0.14 -0.03 0.69 0.72 0.98 0.00 0.00 173.24 175.74 1nqt s PHE 63 N 0.39 -0.89 0.90 5.02 -0.12 -0.16 -4.97 117.98 118.15 1nqt s PHE 63 Ca -0.03 1.98 -0.14 0.00 -0.05 0.00 0.00 56.93 58.69 1nqt s PHE 63 Cb -0.06 0.42 0.16 0.00 -0.63 0.00 0.00 43.02 42.91 1nqt s PHE 63 CO -0.01 -0.44 1.26 -1.25 -0.05 0.00 0.00 175.22 174.74 1nqt s PRO 64 N 0.90 1.11 0.14 1.99 0.04 -1.26 -0.71 135.00 137.22 1nqt s PRO 64 Ca -0.04 -0.28 -0.24 0.00 0.04 0.00 0.00 61.00 60.48 1nqt s PRO 64 Cb -0.05 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.66 1nqt s PRO 64 CO -0.08 -2.11 0.63 0.96 0.04 0.00 0.00 177.00 176.44 1nqt s ILE 65 N -3.75 0.00 -0.50 0.56 -4.36 -0.75 -4.83 121.20 107.57 1nqt s ILE 65 Ca 0.70 0.00 -0.02 0.00 -0.26 0.00 0.00 60.65 61.07 1nqt s ILE 65 Cb -0.06 -1.00 0.13 0.00 1.25 0.00 0.00 42.46 42.78 1nqt s ILE 65 CO 0.51 0.00 0.29 -0.60 0.24 0.00 0.00 174.94 175.38 1nqt s ARG 66 N -3.59 2.17 0.48 0.37 3.52 -1.26 -2.35 118.95 118.28 1nqt s ARG 66 Ca 0.01 -2.18 -0.16 0.00 -0.13 0.00 0.00 55.73 53.27 1nqt s ARG 66 Cb -0.01 -3.58 -0.13 0.00 -1.56 0.00 0.00 34.95 29.67 1nqt s ARG 66 CO -0.12 -1.10 -0.16 0.54 -0.81 0.00 0.00 175.30 173.65 1nqt n ARG 67 N 3.98 0.00 -0.35 5.12 5.12 -0.56 -4.63 116.66 125.35 1nqt n ARG 67 Ca 0.03 0.00 0.16 0.00 -1.93 0.00 0.00 57.85 56.11 1nqt n ARG 67 Cb 0.39 -0.88 0.37 0.00 -1.16 0.00 0.00 32.46 31.18 1nqt n ARG 67 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1nqt h ASP 68 N -0.07 0.71 0.18 0.55 5.19 -1.98 0.31 116.42 121.32 1nqt h ASP 68 Ca -0.36 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 1nqt h ASP 68 Cb 1.26 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.77 1nqt h ASP 68 CO 0.36 0.18 0.00 -0.90 -3.12 0.00 0.00 179.24 175.75 1nqt n ASP 69 N -4.82 0.00 0.00 6.45 5.68 -1.26 -4.84 116.55 117.76 1nqt n ASP 69 Ca 0.25 0.14 0.00 0.00 -0.50 0.00 0.00 54.79 54.68 1nqt n ASP 69 Cb 0.68 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1nqt n ASP 69 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nqt n GLY 70 N -0.45 1.34 3.82 6.12 0.00 0.11 -5.05 105.19 111.08 1nqt n GLY 70 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1nqt n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nqt s SER 71 N -1.76 6.80 -0.11 1.61 1.04 -1.26 -4.80 113.70 115.22 1nqt s SER 71 Ca 0.00 1.74 -0.14 0.00 0.48 0.00 0.00 55.95 58.03 1nqt s SER 71 Cb 0.00 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 1nqt s SER 71 CO 0.00 -0.46 0.32 0.26 0.98 0.00 0.00 173.24 174.34 1nqt s TRP 72 N -2.15 3.55 0.01 5.02 0.51 -1.26 -1.49 118.94 123.13 1nqt s TRP 72 Ca 0.63 0.72 0.01 0.00 -2.12 0.00 0.00 56.10 55.34 1nqt s TRP 72 Cb -0.11 -2.29 -0.01 0.00 -0.81 0.00 0.00 33.47 30.25 1nqt s TRP 72 CO 0.15 0.40 -0.04 -2.00 -0.51 0.00 0.00 176.95 174.96 1nqt s GLU 73 N -0.12 0.31 -0.35 4.98 2.12 -0.99 -4.97 118.70 119.67 1nqt s GLU 73 Ca 0.19 -0.34 -0.11 0.00 0.36 0.00 0.00 54.97 55.08 1nqt s GLU 73 Cb -0.14 -0.17 0.01 0.00 0.26 0.00 0.00 34.13 34.09 1nqt s GLU 73 CO 0.07 0.04 0.19 0.54 -0.54 0.00 0.00 175.26 175.56 1nqt s VAL 74 N -0.61 4.67 0.11 3.70 0.11 -1.26 -1.81 120.40 125.31 1nqt s VAL 74 Ca -0.05 -0.63 -0.15 0.00 -2.93 0.00 0.00 61.98 58.23 1nqt s VAL 74 Cb -0.05 -3.50 -0.07 0.00 -1.53 0.00 0.00 36.38 31.24 1nqt s VAL 74 CO -0.00 -0.10 0.53 -0.63 -3.33 0.00 0.00 175.10 171.57 1nqt s ILE 75 N 1.60 4.87 0.23 7.04 1.09 0.12 -4.84 121.20 131.29 1nqt s ILE 75 Ca 0.03 0.89 0.10 0.00 -1.10 0.00 0.00 60.65 60.57 1nqt s ILE 75 Cb -0.18 -3.76 -0.04 0.00 -1.06 0.00 0.00 42.46 37.41 1nqt s ILE 75 CO 0.07 0.35 -0.13 -1.83 -0.10 0.00 0.00 174.94 173.30 1nqt s GLU 76 N -1.68 1.92 -0.18 2.79 -1.05 -1.26 -0.99 118.70 118.24 1nqt s GLU 76 Ca 0.34 -1.47 -0.35 0.00 -0.15 0.00 0.00 54.97 53.34 1nqt s GLU 76 Cb -0.16 -2.01 0.15 0.00 -0.44 0.00 0.00 34.13 31.67 1nqt s GLU 76 CO 0.18 0.39 1.35 0.20 0.95 0.00 0.00 175.26 178.33 1nqt s GLY 77 N -3.16 -0.33 0.08 -3.83 0.00 -0.94 -2.01 107.32 97.13 1nqt s GLY 77 Ca 0.27 1.42 -0.07 0.00 0.00 0.00 0.00 44.72 46.34 1nqt s GLY 77 CO 0.15 0.42 0.14 -0.19 0.00 0.00 0.00 173.10 173.62 1nqt s TYR 78 N -2.16 0.23 -0.02 1.90 1.51 0.11 -0.07 117.35 118.84 1nqt s TYR 78 Ca 0.13 -0.67 0.01 0.00 -1.01 0.00 0.00 57.07 55.53 1nqt s TYR 78 Cb 0.02 -0.13 0.01 0.00 -0.11 0.00 0.00 41.96 41.75 1nqt s TYR 78 CO -0.04 -0.50 -0.05 0.50 -1.11 0.00 0.00 175.55 174.35 1nqt s ARG 79 N -3.80 0.64 0.03 -0.62 6.06 -0.18 0.29 118.95 121.37 1nqt s ARG 79 Ca 0.05 -0.15 0.08 0.00 -2.50 0.00 0.00 55.73 53.21 1nqt s ARG 79 Cb 0.05 -0.65 -0.03 0.00 0.06 0.00 0.00 34.95 34.39 1nqt s ARG 79 CO -0.10 0.02 -0.25 0.00 -2.50 0.00 0.00 175.30 172.47 1nqt s ALA 80 N 0.42 2.08 -0.35 6.12 0.00 0.40 -1.45 121.76 128.98 1nqt s ALA 80 Ca -0.05 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 50.78 1nqt s ALA 80 Cb -0.09 -0.45 0.10 0.00 0.00 0.00 0.00 23.12 22.68 1nqt s ALA 80 CO -0.00 0.49 0.06 -0.65 0.00 0.00 0.00 175.76 175.66 1nqt s GLN 81 N -1.05 1.51 0.00 0.00 -0.21 -0.73 -0.53 119.66 118.65 1nqt s GLN 81 Ca 0.10 -1.89 0.00 0.00 0.02 0.00 0.00 55.36 53.59 1nqt s GLN 81 Cb -0.10 -3.23 0.00 0.00 1.00 0.00 0.00 33.01 30.69 1nqt s GLN 81 CO 0.01 -0.95 0.73 1.58 -2.12 0.00 0.00 175.29 174.54 1nqt n HIS 82 N 4.24 0.00 -4.38 0.91 -0.00 0.37 -2.75 115.22 113.61 1nqt n HIS 82 Ca 0.04 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.48 1nqt n HIS 82 Cb 0.42 -0.23 -0.12 0.00 -0.00 0.00 0.00 29.99 30.06 1nqt n HIS 82 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1nqt s SER 83 N -2.18 3.58 -0.16 0.26 0.15 -1.21 -0.97 113.70 113.17 1nqt s SER 83 Ca 0.00 -0.77 0.17 0.00 0.70 0.00 0.00 55.95 56.05 1nqt s SER 83 Cb 0.00 -0.35 0.36 0.00 -1.71 0.00 0.00 66.02 64.32 1nqt s SER 83 CO 0.00 0.14 1.21 1.41 1.20 0.00 0.00 173.24 177.20 1nqt n HIS 84 N 0.42 0.17 0.28 3.44 -0.00 -1.26 -4.13 115.22 114.14 1nqt n HIS 84 Ca -0.14 -1.11 0.15 0.00 -0.00 0.00 0.00 57.72 56.62 1nqt n HIS 84 Cb 0.55 -0.21 0.81 0.00 -0.00 0.00 0.00 29.99 31.14 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 0.46 0.00 -4.16 -0.41 -0.00 -1.95 -3.31 115.11 105.74 1nqt h GLN 85 Ca 0.01 0.00 -0.62 0.00 -0.00 0.00 0.00 58.65 58.04 1nqt h GLN 85 Cb 1.09 0.00 -0.40 0.00 -0.00 0.00 0.00 27.48 28.17 1nqt h GLN 85 CO 0.05 0.08 -0.75 0.50 -0.00 0.00 0.00 178.83 178.71 1nqt s ARG 86 N -4.14 1.19 0.00 0.06 6.06 -1.26 -4.99 118.95 115.86 1nqt s ARG 86 Ca -0.03 -1.38 0.00 0.00 -2.50 0.00 0.00 55.73 51.82 1nqt s ARG 86 Cb 0.13 -2.59 0.00 0.00 0.06 0.00 0.00 34.95 32.54 1nqt s ARG 86 CO 0.55 -0.89 0.00 2.41 -2.50 0.00 0.00 175.30 174.87 1nqt n THR 87 N 4.57 0.00 -2.64 4.11 -1.04 -1.25 -2.92 114.28 115.11 1nqt n THR 87 Ca -0.01 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.57 1nqt n THR 87 Cb 0.42 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.91 1nqt n THR 87 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1nqt s PRO 88 N -1.31 3.80 0.18 -2.82 0.02 -1.25 -4.61 135.00 129.01 1nqt s PRO 88 Ca 0.00 0.67 -0.30 0.00 0.02 0.00 0.00 61.00 61.38 1nqt s PRO 88 Cb 0.00 -3.86 -0.08 0.00 0.02 0.00 0.00 34.50 30.58 1nqt s PRO 88 CO 0.00 -1.22 1.32 0.00 -0.33 0.00 0.00 177.00 176.77 1nqt s LYS 90 N 0.11 1.67 0.00 0.00 2.47 0.40 0.29 119.74 124.67 1nqt s LYS 90 Ca 0.58 -1.24 0.00 0.00 -1.56 0.00 0.00 55.97 53.75 1nqt s LYS 90 Cb -0.36 -2.04 0.00 0.00 -1.46 0.00 0.00 37.83 33.96 1nqt s LYS 90 CO 0.37 0.47 0.00 0.41 0.16 0.00 0.00 175.35 176.75 1nqt n GLY 91 N 0.80 2.64 3.98 5.54 0.00 -1.13 -1.66 105.19 115.36 1nqt n GLY 91 Ca -0.16 -0.71 -0.22 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 1.79 -0.10 -0.02 0.00 -1.24 -1.27 107.32 106.47 1nqt s GLY 92 Ca 0.00 -1.44 0.03 0.00 0.00 0.00 0.00 44.72 43.30 1nqt s GLY 92 CO 0.00 -1.04 -0.19 -0.42 0.00 0.00 0.00 173.10 171.45 1nqt s ILE 93 N -2.94 2.53 -0.17 0.90 1.01 0.39 -1.16 121.20 121.77 1nqt s ILE 93 Ca 0.61 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 60.37 1nqt s ILE 93 Cb -0.09 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 1nqt s ILE 93 CO 0.41 0.55 -0.07 -0.60 0.00 0.00 0.00 174.94 175.23 1nqt s ARG 94 N 0.21 3.49 -0.95 2.79 6.06 -0.19 -3.54 118.95 126.83 1nqt s ARG 94 Ca -0.12 -0.60 -0.03 0.00 -2.50 0.00 0.00 55.73 52.48 1nqt s ARG 94 Cb -0.16 -2.85 0.26 0.00 0.06 0.00 0.00 34.95 32.26 1nqt s ARG 94 CO 0.06 0.11 1.02 0.66 -2.50 0.00 0.00 175.30 174.65 1nqt n TYR 95 N 3.89 3.87 -3.67 5.12 0.53 -1.26 0.88 117.16 126.52 1nqt n TYR 95 Ca -0.18 -3.71 -0.10 0.00 -1.02 0.00 0.00 57.90 52.90 1nqt n TYR 95 Cb 0.52 -1.20 -0.10 0.00 -1.03 0.00 0.00 39.34 37.53 1nqt n TYR 95 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 1nqt s SER 96 N -0.61 -0.21 0.00 7.72 0.15 -0.83 -4.20 113.70 115.71 1nqt s SER 96 Ca 0.31 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.87 1nqt s SER 96 Cb -0.02 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.42 1nqt s SER 96 CO -0.04 -0.22 0.00 0.41 1.20 0.00 0.00 173.24 174.58 1nqt n THR 97 N 5.15 0.00 1.27 6.45 -1.04 -0.03 0.80 114.28 126.88 1nqt n THR 97 Ca -0.11 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.92 1nqt n THR 97 Cb 0.51 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 69.14 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 -3.69 0.00 -4.77 8.00 5.68 -1.26 -4.73 116.55 115.77 1nqt n ASP 98 Ca 0.00 -1.14 -0.37 0.00 -0.50 0.00 0.00 54.79 52.78 1nqt n ASP 98 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1nqt n ASP 98 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1nqt s VAL 99 N -2.00 3.26 0.04 2.12 -7.23 0.24 -5.04 120.40 111.79 1nqt s VAL 99 Ca 0.06 1.00 0.01 0.00 -1.81 0.00 0.00 61.98 61.25 1nqt s VAL 99 Cb 0.03 -3.53 -0.03 0.00 0.56 0.00 0.00 36.38 33.41 1nqt s VAL 99 CO 0.05 0.04 -0.06 -0.55 -0.31 0.00 0.00 175.10 174.26 1nqt s SER 100 N -1.30 0.73 0.17 4.85 0.15 -1.26 -4.91 113.70 112.12 1nqt s SER 100 Ca 0.59 -0.61 -0.15 0.00 0.70 0.00 0.00 55.95 56.49 1nqt s SER 100 Cb -0.28 0.07 0.08 0.00 -1.71 0.00 0.00 66.02 64.18 1nqt s SER 100 CO 0.35 -0.27 1.79 0.58 1.20 0.00 0.00 173.24 176.88 1nqt h VAL 101 N 4.29 0.98 0.00 4.45 2.07 -1.99 -0.84 116.25 125.22 1nqt h VAL 101 Ca -0.35 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1nqt h VAL 101 Cb 1.20 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1nqt h VAL 101 CO 0.45 0.08 0.00 0.47 0.02 0.00 0.00 177.57 178.59 1nqt n ASP 102 N -4.89 0.37 -0.05 0.57 9.92 -1.26 -0.94 116.55 120.26 1nqt n ASP 102 Ca 0.03 0.64 -0.01 0.00 -0.53 0.00 0.00 54.79 54.91 1nqt n ASP 102 Cb 0.10 -0.70 -0.00 0.00 -0.64 0.00 0.00 41.12 39.88 1nqt n ASP 102 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1nqt h GLU 103 N 0.00 0.00 -0.54 -1.24 4.81 -1.57 -3.10 114.58 112.94 1nqt h GLU 103 Ca 0.00 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 1nqt h GLU 103 Cb 0.12 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.43 1nqt h GLU 103 CO 0.00 0.00 0.11 -0.39 -0.73 0.00 0.00 179.01 178.00 1nqt h VAL 104 N -0.83 0.69 -0.76 0.32 -1.51 -1.06 0.34 116.25 113.43 1nqt h VAL 104 Ca 0.00 -0.08 0.15 0.00 -1.23 0.00 0.00 66.70 65.54 1nqt h VAL 104 Cb 0.15 0.43 -0.10 0.00 -2.13 0.00 0.00 31.29 29.64 1nqt h VAL 104 CO 0.00 0.04 0.28 0.11 -1.23 0.00 0.00 177.57 176.78 1nqt h LYS 105 N 0.24 0.39 0.23 5.19 1.57 -1.19 0.37 116.57 123.37 1nqt h LYS 105 Ca 0.27 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1nqt h LYS 105 Cb 0.38 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1nqt h LYS 105 CO -0.36 0.26 -0.11 0.00 -0.57 0.00 0.00 179.45 178.67 1nqt h ALA 106 N 1.57 -0.96 -0.97 3.86 0.00 -0.90 -1.99 119.26 119.86 1nqt h ALA 106 Ca 0.42 -0.07 0.32 0.00 0.00 0.00 0.00 54.91 55.59 1nqt h ALA 106 Cb 0.67 0.12 -0.17 0.00 0.00 0.00 0.00 17.79 18.41 1nqt h ALA 106 CO -0.43 -0.93 0.31 -0.07 0.00 0.00 0.00 179.25 178.12 1nqt h LEU 107 N -0.34 0.00 -1.01 0.00 3.38 -0.87 1.12 115.31 117.60 1nqt h LEU 107 Ca -0.03 0.25 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1nqt h LEU 107 Cb 0.24 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1nqt h LEU 107 CO 0.05 -0.32 0.22 0.00 0.09 0.00 0.00 178.44 178.48 1nqt h ALA 108 N 1.94 1.21 0.00 1.53 0.00 -0.25 0.12 119.26 123.80 1nqt h ALA 108 Ca 0.69 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1nqt h ALA 108 Cb 1.61 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1nqt h ALA 108 CO -0.78 0.56 0.00 0.45 0.00 0.00 0.00 179.25 179.48 1nqt n SER 109 N -4.29 0.68 -0.02 0.00 2.88 0.38 -2.84 113.62 110.40 1nqt n SER 109 Ca 0.05 0.67 -0.00 0.00 -1.33 0.00 0.00 58.87 58.26 1nqt n SER 109 Cb 0.19 -0.81 -0.00 0.00 -0.75 0.00 0.00 64.21 62.84 1nqt n SER 109 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1nqt h LEU 110 N 0.00 0.00 -0.32 2.46 5.85 0.16 -3.34 115.31 120.12 1nqt h LEU 110 Ca 0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1nqt h LEU 110 Cb 0.37 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1nqt h LEU 110 CO 0.00 0.23 -0.19 0.23 -0.34 0.00 0.00 178.44 178.37 1nqt n MET 111 N -3.25 -0.14 -0.21 1.25 2.81 -0.54 0.19 117.12 117.23 1nqt n MET 111 Ca -0.00 0.96 -0.06 0.00 -1.81 0.00 0.00 57.70 56.80 1nqt n MET 111 Cb 0.00 -1.43 -0.05 0.00 -0.71 0.00 0.00 33.22 31.03 1nqt n MET 111 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1nqt n THR 112 N -3.67 -0.35 -0.21 2.03 5.66 -1.13 0.16 114.28 116.78 1nqt n THR 112 Ca 0.01 1.35 -0.06 0.00 -3.05 0.00 0.00 64.05 62.29 1nqt n THR 112 Cb 0.08 -1.68 0.03 0.00 -1.55 0.00 0.00 70.33 67.21 1nqt n THR 112 CO 0.00 0.00 0.00 1.88 -3.05 0.00 0.00 175.07 173.90 1nqt h TYR 113 N 0.00 0.76 -0.43 1.09 0.05 -0.38 -2.58 116.97 115.48 1nqt h TYR 113 Ca 0.08 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.87 1nqt h TYR 113 Cb 0.21 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 1nqt h TYR 113 CO -0.60 0.50 0.29 -0.22 -1.05 0.00 0.00 178.16 177.08 1nqt h LYS 114 N 0.80 0.57 0.37 4.88 3.64 0.39 -2.63 116.57 124.58 1nqt h LYS 114 Ca 0.21 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1nqt h LYS 114 Cb -0.05 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 1nqt h LYS 114 CO -0.04 0.37 -0.47 0.00 -2.27 0.00 0.00 179.45 177.04 1nqt n ALA 116 N -2.80 -0.24 -0.33 0.00 0.00 -0.99 0.91 120.51 117.06 1nqt n ALA 116 Ca -0.10 0.32 0.08 0.00 0.00 0.00 0.00 53.44 53.74 1nqt n ALA 116 Cb 0.41 0.11 0.18 0.00 0.00 0.00 0.00 19.45 20.14 1nqt n ALA 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1nqt h VAL 117 N 0.00 0.06 -0.87 0.00 2.07 -1.09 1.54 116.25 117.95 1nqt h VAL 117 Ca 0.06 -0.00 -0.45 0.00 0.82 0.00 0.00 66.70 67.12 1nqt h VAL 117 Cb 0.16 0.05 -0.27 0.00 -1.52 0.00 0.00 31.29 29.71 1nqt h VAL 117 CO -0.36 0.00 0.58 1.33 0.02 0.00 0.00 177.57 179.14 1nqt n VAL 118 N -5.55 2.93 -2.55 2.57 0.24 0.26 -4.65 118.33 111.58 1nqt n VAL 118 Ca 0.17 -1.68 -0.12 0.00 -2.04 0.00 0.00 64.34 60.67 1nqt n VAL 118 Cb 0.56 -0.53 -0.00 0.00 -1.47 0.00 0.00 33.84 32.39 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 -0.94 -3.65 -4.76 -1.34 8.00 0.53 -4.93 116.55 109.45 1nqt n ASP 119 Ca 0.52 0.16 -0.39 0.00 0.71 0.00 0.00 54.79 55.79 1nqt n ASP 119 Cb 1.53 -3.11 -0.05 0.00 -0.02 0.00 0.00 41.12 39.47 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 -2.60 4.73 -0.37 2.53 1.01 -0.84 -4.97 120.40 119.89 1nqt s VAL 120 Ca 0.04 1.48 -0.04 0.00 0.00 0.00 0.00 61.98 63.46 1nqt s VAL 120 Cb -0.02 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.35 1nqt s VAL 120 CO 0.05 0.43 2.80 -0.81 0.00 0.00 0.00 175.10 177.57 1nqt n PRO 121 N 2.47 2.26 -4.38 2.72 -0.04 -1.26 -3.98 135.00 132.79 1nqt n PRO 121 Ca -0.05 -2.04 -0.22 0.00 -0.04 0.00 0.00 63.50 61.14 1nqt n PRO 121 Cb 0.50 -2.05 -0.11 0.00 -0.04 0.00 0.00 33.50 31.81 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 -1.33 1.97 0.01 0.54 2.99 -1.26 -4.50 117.98 116.40 1nqt s PHE 122 Ca 0.56 -0.45 -0.05 0.00 0.00 0.00 0.00 56.93 57.00 1nqt s PHE 122 Cb 0.35 -0.93 -0.04 0.00 0.00 0.00 0.00 43.02 42.40 1nqt s PHE 122 CO -0.16 0.46 0.24 0.20 -0.00 0.00 0.00 175.22 175.95 1nqt s GLY 123 N -3.04 2.21 0.41 4.36 0.00 -1.15 -4.75 107.32 105.36 1nqt s GLY 123 Ca 0.22 -0.67 -0.26 0.00 0.00 0.00 0.00 44.72 44.01 1nqt s GLY 123 CO 0.09 -0.53 1.30 -0.32 0.00 0.00 0.00 173.10 173.65 1nqt s GLY 124 N -1.88 2.92 0.21 0.20 0.00 -1.26 -0.45 107.32 107.06 1nqt s GLY 124 Ca 0.29 1.23 -0.20 0.00 0.00 0.00 0.00 44.72 46.04 1nqt s GLY 124 CO 0.18 1.82 0.61 0.00 0.00 0.00 0.00 173.10 175.71 1nqt s ALA 125 N -1.26 -1.22 -0.15 3.20 0.00 -0.66 0.14 121.76 121.80 1nqt s ALA 125 Ca 0.57 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 1nqt s ALA 125 Cb -0.38 0.87 0.12 0.00 0.00 0.00 0.00 23.12 23.73 1nqt s ALA 125 CO 0.49 -0.88 0.97 0.21 0.00 0.00 0.00 175.76 176.56 1nqt s LYS 126 N -3.85 0.63 0.10 0.00 2.47 0.31 -4.11 119.74 115.28 1nqt s LYS 126 Ca 0.08 0.17 0.04 0.00 -1.56 0.00 0.00 55.97 54.69 1nqt s LYS 126 Cb -0.03 0.30 -0.04 0.00 -1.46 0.00 0.00 37.83 36.60 1nqt s LYS 126 CO -0.02 -0.19 -0.10 0.00 0.16 0.00 0.00 175.35 175.20 1nqt s ALA 127 N -1.08 1.10 -0.11 3.13 0.00 -0.31 0.15 121.76 124.65 1nqt s ALA 127 Ca -0.02 -1.20 -0.12 0.00 0.00 0.00 0.00 51.96 50.62 1nqt s ALA 127 Cb -0.01 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.19 1nqt s ALA 127 CO 0.02 -0.06 0.32 0.20 0.00 0.00 0.00 175.76 176.24 1nqt s GLY 128 N -2.51 -0.23 -0.21 0.00 0.00 0.15 -1.02 107.32 103.50 1nqt s GLY 128 Ca 0.06 0.83 0.01 0.00 0.00 0.00 0.00 44.72 45.62 1nqt s GLY 128 CO -0.00 0.70 -0.09 0.14 0.00 0.00 0.00 173.10 173.85 1nqt s VAL 129 N -0.02 1.59 -1.02 1.40 1.01 0.25 0.07 120.40 123.69 1nqt s VAL 129 Ca -0.02 -1.05 -0.25 0.00 0.00 0.00 0.00 61.98 60.67 1nqt s VAL 129 Cb -0.03 -1.72 -0.14 0.00 0.00 0.00 0.00 36.38 34.49 1nqt s VAL 129 CO 0.01 0.10 2.10 -0.75 0.00 0.00 0.00 175.10 176.56 1nqt s LYS 130 N 1.40 1.83 0.10 2.72 2.20 -0.85 -1.96 119.74 125.18 1nqt s LYS 130 Ca -0.02 -0.41 -0.22 0.00 -0.36 0.00 0.00 55.97 54.96 1nqt s LYS 130 Cb -0.17 -5.02 0.06 0.00 -1.51 0.00 0.00 37.83 31.19 1nqt s LYS 130 CO -0.08 -4.55 0.54 0.42 -0.36 0.00 0.00 175.35 171.32 1nqt s ILE 131 N 13.90 0.02 -0.29 5.43 1.01 -1.26 -4.60 121.20 135.41 1nqt s ILE 131 Ca 0.79 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 61.28 1nqt s ILE 131 Cb -0.06 -1.03 0.07 0.00 0.01 0.00 0.00 42.46 41.46 1nqt s ILE 131 CO 0.12 -0.10 -0.05 0.21 0.00 0.00 0.00 174.94 175.11 1nqt s ASN 132 N -2.40 4.58 0.54 3.58 3.84 -1.26 -0.85 114.94 122.96 1nqt s ASN 132 Ca -0.01 -1.65 0.42 0.00 0.21 0.00 0.00 52.86 51.83 1nqt s ASN 132 Cb -0.00 -1.58 1.62 0.00 -0.55 0.00 0.00 41.25 40.73 1nqt s ASN 132 CO -0.08 -0.26 1.71 -0.65 -2.79 0.00 0.00 177.10 175.04 1nqt h PRO 133 N 7.73 0.01 -0.72 0.43 0.11 -1.93 0.33 132.00 137.96 1nqt h PRO 133 Ca -0.14 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.98 1nqt h PRO 133 Cb 1.03 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1nqt h PRO 133 CO 0.48 0.01 0.48 0.87 -0.21 0.00 0.00 178.00 179.63 1nqt h LYS 134 N 0.01 0.94 -0.03 1.05 1.79 -1.94 -1.70 116.57 116.68 1nqt h LYS 134 Ca 0.72 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 59.13 1nqt h LYS 134 Cb 2.85 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 33.29 1nqt h LYS 134 CO -0.03 0.62 0.00 0.09 -1.08 0.00 0.00 179.45 179.05 1nqt n ASN 135 N -4.43 0.27 -4.12 0.86 3.02 0.12 -4.81 115.26 106.16 1nqt n ASN 135 Ca 0.08 -1.59 -0.19 0.00 -0.03 0.00 0.00 54.58 52.85 1nqt n ASN 135 Cb 0.05 -0.02 -0.13 0.00 -0.61 0.00 0.00 39.78 39.06 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 -1.96 1.13 0.73 3.10 2.02 -0.64 -5.06 117.35 116.67 1nqt s TYR 136 Ca 0.23 -0.35 -0.11 0.00 -0.37 0.00 0.00 57.07 56.47 1nqt s TYR 136 Cb 0.11 -0.67 0.03 0.00 -0.40 0.00 0.00 41.96 41.03 1nqt s TYR 136 CO 0.18 0.02 1.07 -0.08 -1.57 0.00 0.00 175.55 175.17 1nqt s THR 137 N -0.86 3.71 0.14 -0.71 -1.32 -1.26 -4.74 115.64 110.60 1nqt s THR 137 Ca 0.00 0.55 -0.31 0.00 -1.21 0.00 0.00 61.69 60.73 1nqt s THR 137 Cb -0.08 -3.26 -0.07 0.00 -1.51 0.00 0.00 72.50 67.59 1nqt s THR 137 CO 0.01 -0.72 1.55 0.44 -2.21 0.00 0.00 174.62 173.69 1nqt h ASP 138 N -0.87 -1.77 -0.93 8.08 3.32 -1.99 0.18 116.42 122.44 1nqt h ASP 138 Ca -0.45 0.25 0.24 0.00 0.02 0.00 0.00 57.03 57.09 1nqt h ASP 138 Cb 1.23 0.75 -0.13 0.00 0.22 0.00 0.00 39.33 41.40 1nqt h ASP 138 CO 0.56 -0.38 0.45 -1.13 -1.72 0.00 0.00 179.24 177.02 1nqt h ASN 139 N -0.34 0.40 -0.03 6.45 -1.24 -1.99 0.40 115.58 119.23 1nqt h ASN 139 Ca 0.10 0.16 -0.01 0.00 0.71 0.00 0.00 56.30 57.26 1nqt h ASN 139 Cb 0.58 0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.75 1nqt h ASN 139 CO -0.63 -0.00 -0.04 -0.33 -1.29 0.00 0.00 177.43 175.14 1nqt h GLU 140 N 0.42 0.08 -0.93 6.67 5.08 -1.70 -1.47 114.58 122.73 1nqt h GLU 140 Ca 0.60 -0.04 0.18 0.00 -1.00 0.00 0.00 59.36 59.09 1nqt h GLU 140 Cb 1.16 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.31 1nqt h GLU 140 CO -0.53 0.56 0.51 -0.07 -1.00 0.00 0.00 179.01 178.48 1nqt h LEU 141 N -0.40 0.60 0.07 1.33 -0.00 0.11 0.23 115.31 117.26 1nqt h LEU 141 Ca 0.00 0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.99 1nqt h LEU 141 Cb 0.55 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1nqt h LEU 141 CO 0.01 0.19 -0.03 -0.08 -0.00 0.00 0.00 178.44 178.53 1nqt h GLU 142 N 0.63 -0.09 -0.82 1.13 4.81 -0.82 -1.18 114.58 118.23 1nqt h GLU 142 Ca 0.54 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.97 1nqt h GLU 142 Cb 0.86 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.21 1nqt h GLU 142 CO -0.41 0.15 0.56 0.87 -0.73 0.00 0.00 179.01 179.45 1nqt h LYS 143 N -0.34 0.27 0.13 1.92 1.57 0.13 -0.09 116.57 120.16 1nqt h LYS 143 Ca -0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1nqt h LYS 143 Cb 0.29 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1nqt h LYS 143 CO 0.02 0.18 -0.06 0.82 -0.57 0.00 0.00 179.45 179.83 1nqt h ILE 144 N 0.27 0.00 -0.83 1.86 2.04 -0.24 -2.99 117.51 117.61 1nqt h ILE 144 Ca 0.41 -0.21 0.12 0.00 1.00 0.00 0.00 64.86 66.19 1nqt h ILE 144 Cb 1.19 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.14 1nqt h ILE 144 CO -0.11 0.00 -0.35 0.41 0.00 0.00 0.00 178.15 178.10 1nqt n THR 145 N -3.05 -0.46 0.28 -0.27 -1.04 -0.48 -1.04 114.28 108.22 1nqt n THR 145 Ca -0.02 1.96 -0.17 0.00 -2.04 0.00 0.00 64.05 63.78 1nqt n THR 145 Cb 0.07 -2.57 -0.08 0.00 -1.82 0.00 0.00 70.33 65.93 1nqt n THR 145 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1nqt h ARG 146 N 0.00 -0.81 -0.13 -2.82 3.08 -1.13 0.19 114.38 112.77 1nqt h ARG 146 Ca 0.27 0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.41 1nqt h ARG 146 Cb 0.48 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1nqt h ARG 146 CO -0.82 -0.54 0.13 -0.09 -1.07 0.00 0.00 179.97 177.58 1nqt h ARG 147 N -0.84 0.00 -0.18 0.04 2.43 -1.06 0.99 114.38 115.76 1nqt h ARG 147 Ca -0.05 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 1nqt h ARG 147 Cb 0.71 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1nqt h ARG 147 CO 0.01 0.00 -0.17 0.35 -1.51 0.00 0.00 179.97 178.65 1nqt h PHE 148 N 0.00 0.50 0.03 2.20 3.57 -0.10 -2.50 116.94 120.65 1nqt h PHE 148 Ca 0.06 -0.15 0.03 0.00 3.53 0.00 0.00 57.97 61.44 1nqt h PHE 148 Cb 0.33 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 1nqt h PHE 148 CO 0.00 0.79 -0.40 1.15 -2.23 0.00 0.00 178.31 177.62 1nqt h THR 149 N 0.08 0.18 0.00 4.41 2.02 0.11 0.15 112.91 119.86 1nqt h THR 149 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1nqt h THR 149 Cb 0.70 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1nqt h THR 149 CO 0.04 0.00 0.00 0.23 0.37 0.00 0.00 175.52 176.16 1nqt n MET 150 N -5.45 0.00 -0.10 6.66 2.81 -0.47 -0.01 117.12 120.57 1nqt n MET 150 Ca -0.06 0.75 0.18 0.00 -1.81 0.00 0.00 57.70 56.76 1nqt n MET 150 Cb 0.37 -1.35 0.58 0.00 -0.71 0.00 0.00 33.22 32.11 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 0.24 -0.50 0.03 4.39 -1.33 0.38 114.58 117.79 1nqt h GLU 151 Ca 0.00 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1nqt h GLU 151 Cb 0.00 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1nqt h GLU 151 CO 0.00 0.16 0.11 1.25 -1.16 0.00 0.00 179.01 179.37 1nqt h LEU 152 N 0.24 0.70 0.05 1.33 5.85 0.82 -2.88 115.31 121.42 1nqt h LEU 152 Ca 0.32 -0.12 -0.15 0.00 0.84 0.00 0.00 57.88 58.77 1nqt h LEU 152 Cb 0.93 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.79 1nqt h LEU 152 CO -0.07 0.70 -0.61 0.00 -0.34 0.00 0.00 178.44 178.12 1nqt h ALA 153 N 1.39 0.01 -0.02 1.25 0.00 0.34 0.28 119.26 122.52 1nqt h ALA 153 Ca 0.16 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.48 1nqt h ALA 153 Cb 0.29 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1nqt h ALA 153 CO -0.00 0.32 0.14 0.87 0.00 0.00 0.00 179.25 180.58 1nqt h LYS 154 N -0.27 0.00 -0.08 0.00 1.57 -0.81 -1.59 116.57 115.39 1nqt h LYS 154 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1nqt h LYS 154 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1nqt h LYS 154 CO 0.12 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.63 1nqt n LYS 155 N -3.10 1.03 -1.50 3.15 4.76 -1.10 -5.03 118.16 116.37 1nqt n LYS 155 Ca -0.02 -1.25 0.00 0.00 -2.87 0.00 0.00 58.31 54.17 1nqt n LYS 155 Cb 0.21 -1.15 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 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 0.30 0.62 0.00 0.72 0.00 -0.60 -4.99 105.19 101.24 1nqt n GLY 156 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.01 0.00 -3.26 1.61 3.72 0.98 -4.83 117.46 114.67 1nqt n PHE 157 Ca 0.00 -0.19 -0.01 0.00 -0.05 0.00 0.00 57.45 57.20 1nqt n PHE 157 Cb 0.35 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.83 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 -0.38 -0.85 -0.25 4.37 -1.16 -1.18 -4.63 121.20 117.10 1nqt s ILE 158 Ca 0.00 -0.02 -0.27 0.00 -0.51 0.00 0.00 60.65 59.85 1nqt s ILE 158 Cb 0.00 -0.92 0.15 0.00 0.61 0.00 0.00 42.46 42.30 1nqt s ILE 158 CO 0.00 -0.04 1.17 -0.83 -2.81 0.00 0.00 174.94 172.43 1nqt s GLY 159 N 2.75 -0.03 0.33 1.50 0.00 0.21 -4.49 107.32 107.60 1nqt s GLY 159 Ca 0.16 2.73 0.06 0.00 0.00 0.00 0.00 44.72 47.67 1nqt s GLY 159 CO -0.19 1.53 1.88 -0.56 0.00 0.00 0.00 173.10 175.76 1nqt h PRO 160 N 3.18 0.78 -0.16 2.90 0.13 -1.80 -0.08 132.00 136.96 1nqt h PRO 160 Ca -0.22 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1nqt h PRO 160 Cb 1.18 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1nqt h PRO 160 CO 0.20 0.52 0.00 0.41 -0.23 0.00 0.00 178.00 178.89 1nqt n GLY 161 N -1.41 1.19 0.00 1.56 0.00 -1.26 -4.75 105.19 100.52 1nqt n GLY 161 Ca 0.16 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 1.35 0.00 -3.79 -0.61 5.41 -0.76 -3.94 119.36 117.02 1nqt n ILE 162 Ca 0.15 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.65 1nqt n ILE 162 Cb 0.58 -0.63 -0.17 0.00 -0.71 0.00 0.00 39.64 38.71 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 0.08 2.21 -0.45 4.38 -1.08 -0.11 0.18 116.67 121.88 1nqt s ASP 163 Ca 0.00 -0.40 -0.15 0.00 -0.52 0.00 0.00 52.55 51.47 1nqt s ASP 163 Cb 0.00 -0.60 0.05 0.00 -1.46 0.00 0.00 42.92 40.92 1nqt s ASP 163 CO 0.00 -0.22 0.36 -0.69 0.52 0.00 0.00 175.17 175.14 1nqt s VAL 164 N 1.86 5.24 0.97 1.11 1.01 0.14 -0.62 120.40 130.12 1nqt s VAL 164 Ca 0.03 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 1nqt s VAL 164 Cb -0.14 -4.05 0.18 0.00 0.00 0.00 0.00 36.38 32.37 1nqt s VAL 164 CO -0.07 -0.47 1.18 -2.84 0.00 0.00 0.00 175.10 172.90 1nqt s PRO 165 N 1.66 0.63 0.04 2.72 0.02 -1.21 -2.85 135.00 136.00 1nqt s PRO 165 Ca 0.04 0.05 -0.27 0.00 0.02 0.00 0.00 61.00 60.84 1nqt s PRO 165 Cb -0.22 -1.80 0.08 0.00 0.02 0.00 0.00 34.50 32.57 1nqt s PRO 165 CO 0.08 -2.49 0.70 0.00 -0.33 0.00 0.00 177.00 174.95 1nqt s ALA 166 N -3.39 -1.72 0.85 -1.55 0.00 -0.40 -1.30 121.76 114.26 1nqt s ALA 166 Ca 0.67 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 53.48 1nqt s ALA 166 Cb -0.11 0.37 0.11 0.00 0.00 0.00 0.00 23.12 23.49 1nqt s ALA 166 CO 0.53 -0.57 1.15 -2.14 0.00 0.00 0.00 175.76 174.73 1nqt s PRO 167 N -2.50 1.45 0.21 0.00 0.02 -1.26 0.15 135.00 133.07 1nqt s PRO 167 Ca -0.03 1.54 0.01 0.00 0.02 0.00 0.00 61.00 62.55 1nqt s PRO 167 Cb -0.01 -1.78 -0.00 0.00 0.02 0.00 0.00 34.50 32.73 1nqt s PRO 167 CO -0.03 -2.31 0.05 -3.47 -0.33 0.00 0.00 177.00 170.91 1nqt n ASP 168 N -3.79 1.58 -0.15 2.53 2.03 -1.23 -4.54 116.55 112.98 1nqt n ASP 168 Ca 0.12 -2.05 -0.06 0.00 0.52 0.00 0.00 54.79 53.32 1nqt n ASP 168 Cb 0.52 0.39 0.03 0.00 -0.72 0.00 0.00 41.12 41.34 1nqt n ASP 168 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1nqt h MET 169 N 0.00 0.50 -0.79 -0.67 2.86 -1.98 -2.70 114.93 112.15 1nqt h MET 169 Ca -0.17 -0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.56 1nqt h MET 169 Cb 0.59 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 32.06 1nqt h MET 169 CO 0.27 0.33 0.40 0.66 1.06 0.00 0.00 176.91 179.63 1nqt h SER 170 N 0.51 0.52 -1.93 1.22 4.64 -1.93 -3.44 113.55 113.14 1nqt h SER 170 Ca 0.20 0.07 -0.51 0.00 -0.47 0.00 0.00 61.79 61.07 1nqt h SER 170 Cb 0.06 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.08 1nqt h SER 170 CO -0.11 0.27 -0.49 0.42 -0.87 0.00 0.00 176.83 176.04 1nqt s THR 171 N -6.02 3.55 0.25 2.95 -4.23 -1.02 -4.83 115.64 106.29 1nqt s THR 171 Ca -0.12 -1.48 0.02 0.00 -1.18 0.00 0.00 61.69 58.92 1nqt s THR 171 Cb 0.20 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 1nqt s THR 171 CO 0.77 -0.21 0.17 -0.83 -0.54 0.00 0.00 174.62 173.98 1nqt s GLY 172 N -3.92 1.76 0.32 3.99 0.00 -1.26 -3.80 107.32 104.41 1nqt s GLY 172 Ca 0.38 -1.81 0.12 0.00 0.00 0.00 0.00 44.72 43.41 1nqt s GLY 172 CO 0.25 -1.45 1.47 -1.84 0.00 0.00 0.00 173.10 171.53 1nqt n GLU 173 N -0.41 -0.06 -0.19 2.90 0.28 -1.26 -0.24 120.64 121.66 1nqt n GLU 173 Ca 0.03 1.34 -0.01 0.00 -0.16 0.00 0.00 57.16 58.36 1nqt n GLU 173 Cb 0.65 -2.28 0.07 0.00 1.43 0.00 0.00 31.44 31.32 1nqt n GLU 173 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 177.13 177.04 1nqt h ARG 174 N 0.00 0.07 -0.12 3.44 0.11 -1.96 0.66 114.38 116.58 1nqt h ARG 174 Ca 0.69 -0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.57 1nqt h ARG 174 Cb 1.68 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.75 1nqt h ARG 174 CO -0.79 0.04 -0.73 0.93 0.10 0.00 0.00 179.97 179.52 1nqt h GLU 175 N 0.07 0.59 -0.27 0.08 5.08 -1.02 -2.68 114.58 116.43 1nqt h GLU 175 Ca 0.29 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1nqt h GLU 175 Cb 0.46 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1nqt h GLU 175 CO -0.53 1.09 0.17 0.52 -1.00 0.00 0.00 179.01 179.26 1nqt h MET 176 N 0.41 0.36 0.00 2.33 2.86 -0.51 -1.60 114.93 118.78 1nqt h MET 176 Ca -0.04 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1nqt h MET 176 Cb 1.33 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.91 1nqt h MET 176 CO 0.14 0.27 -0.01 1.03 1.06 0.00 0.00 176.91 179.40 1nqt h SER 177 N 0.35 0.00 0.18 1.22 0.87 0.44 -1.16 113.55 115.45 1nqt h SER 177 Ca 0.10 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.39 1nqt h SER 177 Cb -0.00 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1nqt h SER 177 CO -0.02 0.01 -1.21 -0.50 -0.53 0.00 0.00 176.83 174.58 1nqt h TRP 178 N 0.00 0.70 -0.50 2.24 6.55 -1.06 -2.73 115.95 121.15 1nqt h TRP 178 Ca -0.00 -0.51 0.10 0.00 0.95 0.00 0.00 58.89 59.43 1nqt h TRP 178 Cb 0.07 -0.03 -0.10 0.00 -0.86 0.00 0.00 29.16 28.24 1nqt h TRP 178 CO 0.00 1.47 -0.26 0.82 -1.05 0.00 0.00 178.44 179.42 1nqt h ILE 179 N -0.14 0.29 0.61 1.49 2.04 -0.33 0.83 117.51 122.30 1nqt h ILE 179 Ca -0.22 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1nqt h ILE 179 Cb 1.88 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1nqt h ILE 179 CO 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 178.15 177.99 1nqt h ALA 180 N 1.11 -1.20 -0.11 1.87 0.00 -1.38 -1.83 119.26 117.73 1nqt h ALA 180 Ca 0.22 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1nqt h ALA 180 Cb 0.50 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1nqt h ALA 180 CO -0.59 -1.15 -0.42 0.22 0.00 0.00 0.00 179.25 177.31 1nqt h ASP 181 N -0.89 -1.31 -0.59 0.00 -0.00 -1.04 0.12 116.42 112.72 1nqt h ASP 181 Ca -0.08 0.17 0.12 0.00 -0.00 0.00 0.00 57.03 57.24 1nqt h ASP 181 Cb 0.70 0.53 -0.11 0.00 -0.00 0.00 0.00 39.33 40.44 1nqt h ASP 181 CO 0.10 -0.43 -0.18 0.74 -0.00 0.00 0.00 179.24 179.48 1nqt h THR 182 N -0.51 0.37 0.52 2.25 2.02 0.62 0.55 112.91 118.72 1nqt h THR 182 Ca 0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1nqt h THR 182 Cb 0.63 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1nqt h THR 182 CO -0.38 0.00 -0.45 0.22 0.37 0.00 0.00 175.52 175.28 1nqt h TYR 183 N -0.03 -1.22 -0.81 3.16 3.20 -0.18 -2.35 116.97 118.74 1nqt h TYR 183 Ca 0.28 0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.32 1nqt h TYR 183 Cb 0.46 0.46 -0.06 0.00 1.54 0.00 0.00 36.73 39.14 1nqt h TYR 183 CO -0.51 -0.62 0.54 0.00 -1.64 0.00 0.00 178.16 175.93 1nqt h ALA 184 N -0.71 2.16 -0.51 1.82 0.00 -0.20 -1.17 119.26 120.65 1nqt h ALA 184 Ca -0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nqt h ALA 184 Cb 0.82 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1nqt h ALA 184 CO -0.03 -0.39 0.00 -1.13 0.00 0.00 0.00 179.25 177.70 1nqt n SER 185 N -4.48 4.19 0.00 0.00 3.41 0.13 -2.80 113.62 114.06 1nqt n SER 185 Ca 0.16 -2.47 0.00 0.00 -0.26 0.00 0.00 58.87 56.30 1nqt n SER 185 Cb 0.60 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1nqt n SER 185 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1nqt n THR 186 N 0.77 0.00 0.05 6.66 -1.04 -0.70 -4.87 114.28 115.15 1nqt n THR 186 Ca 0.21 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 62.11 1nqt n THR 186 Cb 0.82 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.25 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 0.98 0.00 12.58 1.08 -1.77 -3.25 117.51 127.14 1nqt h ILE 187 Ca 0.00 -1.11 0.00 0.00 -0.39 0.00 0.00 64.86 63.36 1nqt h ILE 187 Cb 0.00 1.60 0.00 0.00 -3.07 0.00 0.00 36.82 35.35 1nqt h ILE 187 CO 0.00 0.24 0.00 0.61 -0.69 0.00 0.00 178.15 178.31 1nqt n GLY 188 N 0.45 1.54 0.34 5.37 0.00 -0.53 -4.37 105.19 107.99 1nqt n GLY 188 Ca -0.08 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.10 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 0.17 0.00 -0.01 1.61 6.17 -1.55 -2.05 115.15 119.49 1nqt h HIS 189 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1nqt h HIS 189 Cb 0.66 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.59 1nqt h HIS 189 CO 0.00 0.00 -0.64 0.66 0.71 0.00 0.00 177.93 178.66 1nqt n TYR 190 N -4.24 0.00 -2.58 5.26 4.02 -1.26 -4.92 117.16 113.44 1nqt n TYR 190 Ca 0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.51 1nqt n TYR 190 Cb 0.41 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.71 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 -2.56 6.59 0.61 7.72 3.68 -0.77 -4.87 116.67 127.07 1nqt s ASP 191 Ca 0.14 0.45 0.22 0.00 2.13 0.00 0.00 52.55 55.49 1nqt s ASP 191 Cb 0.16 -2.55 1.19 0.00 -1.45 0.00 0.00 42.92 40.27 1nqt s ASP 191 CO 0.65 -1.30 1.65 -0.29 0.13 0.00 0.00 175.17 176.01 1nqt h ILE 192 N 6.25 0.00 -0.49 4.11 2.10 -1.91 0.24 117.51 127.81 1nqt h ILE 192 Ca -0.24 0.00 -0.32 0.00 1.08 0.00 0.00 64.86 65.38 1nqt h ILE 192 Cb 1.06 0.49 -0.21 0.00 -1.09 0.00 0.00 36.82 37.07 1nqt h ILE 192 CO 1.13 0.00 -0.27 0.59 -1.08 0.00 0.00 178.15 178.53 1nqt n ASN 193 N -2.68 3.64 0.12 2.19 3.02 -1.26 -4.73 115.26 115.56 1nqt n ASN 193 Ca -0.01 -3.80 0.18 0.00 -0.03 0.00 0.00 54.58 50.91 1nqt n ASN 193 Cb 0.49 -0.57 0.74 0.00 -0.61 0.00 0.00 39.78 39.83 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 1.46 2.14 -0.09 5.41 0.00 -0.79 0.18 119.26 127.56 1nqt h ALA 194 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1nqt h ALA 194 Cb 1.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1nqt h ALA 194 CO 0.57 -0.45 0.00 0.72 0.00 0.00 0.00 179.25 180.10 1nqt n HIS 195 N -4.10 0.13 0.97 0.00 8.25 -1.26 -1.70 115.22 117.51 1nqt n HIS 195 Ca 0.05 -0.06 0.11 0.00 -0.26 0.00 0.00 57.72 57.56 1nqt n HIS 195 Cb 0.44 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.61 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 -0.21 2.79 0.31 -1.41 0.00 0.62 -4.31 120.51 118.31 1nqt n ALA 196 Ca 0.03 -0.67 0.18 0.00 0.00 0.00 0.00 53.44 52.99 1nqt n ALA 196 Cb 0.09 -0.78 1.02 0.00 0.00 0.00 0.00 19.45 19.78 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 -4.29 0.02 0.33 0.00 0.11 -1.26 -3.29 120.40 112.03 1nqt s VAL 198 Ca -0.04 -0.16 0.09 0.00 -2.93 0.00 0.00 61.98 58.93 1nqt s VAL 198 Cb 0.13 -0.67 -0.05 0.00 -1.53 0.00 0.00 36.38 34.27 1nqt s VAL 198 CO 0.49 -0.09 0.08 0.42 -3.33 0.00 0.00 175.10 172.67 1nqt s THR 199 N -0.49 2.95 0.00 5.04 -4.23 -0.42 -4.62 115.64 113.87 1nqt s THR 199 Ca -0.06 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1nqt s THR 199 Cb -0.03 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.90 1nqt s THR 199 CO 0.03 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1nqt n GLY 200 N -1.05 0.96 3.82 3.99 0.00 -1.26 -4.16 105.19 107.48 1nqt n GLY 200 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.95 0.40 0.04 1.61 -2.85 -1.26 -4.18 119.74 112.56 1nqt s LYS 201 Ca 0.00 -0.15 -0.30 0.00 -1.00 0.00 0.00 55.97 54.52 1nqt s LYS 201 Cb 0.00 -1.79 -0.04 0.00 -2.06 0.00 0.00 37.83 33.94 1nqt s LYS 201 CO 0.00 -2.62 0.99 -2.14 0.10 0.00 0.00 175.35 171.69 1nqt s PRO 202 N -5.63 4.59 0.15 1.78 0.02 -1.26 -4.08 135.00 130.56 1nqt s PRO 202 Ca 0.70 1.46 -0.09 0.00 0.02 0.00 0.00 61.00 63.09 1nqt s PRO 202 Cb -0.08 -3.42 0.18 0.00 0.02 0.00 0.00 34.50 31.20 1nqt s PRO 202 CO 0.53 0.02 0.94 -0.89 -0.33 0.00 0.00 177.00 177.27 1nqt n ILE 203 N 3.54 -0.30 -0.09 2.83 2.08 -1.26 0.39 119.36 126.55 1nqt n ILE 203 Ca 0.05 1.41 0.26 0.00 0.56 0.00 0.00 62.75 65.03 1nqt n ILE 203 Cb 0.50 -1.89 0.72 0.00 -0.75 0.00 0.00 39.64 38.22 1nqt n ILE 203 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1nqt h SER 204 N 0.00 0.00 -0.33 4.38 4.64 -1.92 0.46 113.55 120.78 1nqt h SER 204 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1nqt h SER 204 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1nqt h SER 204 CO -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.35 1nqt n GLN 205 N -4.06 2.43 0.00 4.77 1.13 1.28 -4.92 117.38 118.01 1nqt n GLN 205 Ca 0.15 -2.20 0.00 0.00 -1.94 0.00 0.00 57.00 53.00 1nqt n GLN 205 Cb 0.87 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.73 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 1.43 1.59 3.69 1.08 0.00 0.16 -4.86 105.19 108.28 1nqt n GLY 206 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1nqt n GLY 206 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nqt s GLY 207 N -2.00 1.64 -0.17 -0.02 0.00 -1.11 -4.66 107.32 101.00 1nqt s GLY 207 Ca 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.70 1nqt s GLY 207 CO 0.00 -0.17 -0.17 -1.50 0.00 0.00 0.00 173.10 171.26 1nqt s ILE 208 N -3.26 2.35 0.30 0.90 2.07 -1.26 -4.63 121.20 117.67 1nqt s ILE 208 Ca 0.72 -0.86 -0.30 0.00 -1.41 0.00 0.00 60.65 58.80 1nqt s ILE 208 Cb -0.08 -1.99 -0.12 0.00 0.13 0.00 0.00 42.46 40.40 1nqt s ILE 208 CO 0.55 0.52 1.42 1.41 -1.91 0.00 0.00 174.94 176.94 1nqt n HIS 209 N 4.41 2.45 -0.53 3.50 8.25 -1.26 -3.27 115.22 128.78 1nqt n HIS 209 Ca -0.20 0.43 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1nqt n HIS 209 Cb 0.51 -2.49 0.00 0.00 1.12 0.00 0.00 29.99 29.13 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 1.54 1.46 0.14 -1.41 0.00 -1.26 -4.07 105.19 101.58 1nqt n GLY 210 Ca 0.08 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 0.37 0.44 1.61 2.43 -1.96 -3.30 114.38 113.97 1nqt h ARG 211 Ca 0.00 -0.63 -0.02 0.00 -0.81 0.00 0.00 59.98 58.51 1nqt h ARG 211 Cb 0.25 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1nqt h ARG 211 CO 0.00 1.30 -0.21 0.82 -1.51 0.00 0.00 179.97 180.37 1nqt h ILE 212 N 0.01 0.00 -1.02 1.20 5.03 -1.95 -3.16 117.51 117.62 1nqt h ILE 212 Ca -0.33 -0.04 0.28 0.00 -0.12 0.00 0.00 64.86 64.65 1nqt h ILE 212 Cb 2.02 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 35.68 1nqt h ILE 212 CO 0.16 0.00 0.61 0.28 -0.68 0.00 0.00 178.15 178.52 1nqt h SER 213 N -0.63 0.58 -0.08 1.72 0.02 -1.94 -3.33 113.55 109.89 1nqt h SER 213 Ca -0.06 0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1nqt h SER 213 Cb 0.46 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1nqt h SER 213 CO 0.10 0.02 -0.05 0.00 -1.14 0.00 0.00 176.83 175.76 1nqt n ALA 214 N -2.34 -0.05 -0.23 3.77 0.00 -1.19 0.18 120.51 120.65 1nqt n ALA 214 Ca 0.29 0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.71 1nqt n ALA 214 Cb 0.87 0.01 0.03 0.00 0.00 0.00 0.00 19.45 20.36 1nqt n ALA 214 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1nqt h THR 215 N 0.00 1.27 0.00 0.00 2.02 -1.76 -0.55 112.91 113.88 1nqt h THR 215 Ca 0.01 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.11 1nqt h THR 215 Cb 0.03 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1nqt h THR 215 CO -0.07 0.40 0.00 0.61 0.37 0.00 0.00 175.52 176.83 1nqt n GLY 216 N -0.52 -2.46 0.33 2.16 0.00 0.13 -1.92 105.19 102.90 1nqt n GLY 216 Ca 0.04 0.01 0.21 0.00 0.00 0.00 0.00 46.02 46.28 1nqt n GLY 216 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nqt h ARG 217 N 0.00 0.15 0.00 1.61 3.08 -0.65 0.12 114.38 118.69 1nqt h ARG 217 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1nqt h ARG 217 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1nqt h ARG 217 CO 0.00 0.10 0.00 0.41 -1.07 0.00 0.00 179.97 179.41 1nqt n GLY 218 N -1.34 -2.99 0.05 0.04 0.00 -0.22 -1.55 105.19 99.18 1nqt n GLY 218 Ca 0.29 0.43 -0.01 0.00 0.00 0.00 0.00 46.02 46.73 1nqt n GLY 218 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nqt n VAL 219 N -2.53 -0.09 -0.26 1.61 0.31 0.39 -0.27 118.33 117.49 1nqt n VAL 219 Ca 0.00 0.82 -0.07 0.00 -0.01 0.00 0.00 64.34 65.08 1nqt n VAL 219 Cb 0.00 -1.06 -0.06 0.00 -0.91 0.00 0.00 33.84 31.81 1nqt n VAL 219 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1nqt n PHE 220 N -3.04 -0.27 0.31 3.52 -0.00 -0.90 0.18 117.46 117.26 1nqt n PHE 220 Ca 0.00 0.77 0.18 0.00 -0.00 0.00 0.00 57.45 58.39 1nqt n PHE 220 Cb 0.03 -0.53 0.99 0.00 -0.00 0.00 0.00 39.48 39.96 1nqt n PHE 220 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1nqt h HIS 221 N 0.00 0.00 -0.12 -5.13 3.86 0.42 0.53 115.15 114.70 1nqt h HIS 221 Ca 0.10 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.12 1nqt h HIS 221 Cb 0.25 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 1nqt h HIS 221 CO -0.91 0.02 -0.69 0.78 0.86 0.00 0.00 177.93 177.99 1nqt h GLY 222 N 0.25 0.58 0.24 2.45 0.00 0.45 -2.50 103.07 104.54 1nqt h GLY 222 Ca -0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 1nqt h GLY 222 CO 0.00 0.69 -0.12 -2.22 0.00 0.00 0.00 176.54 174.90 1nqt h ILE 223 N 0.37 0.00 -0.22 2.60 2.04 0.49 -3.35 117.51 119.44 1nqt h ILE 223 Ca -0.02 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1nqt h ILE 223 Cb 1.27 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1nqt h ILE 223 CO 0.13 0.00 -0.13 1.21 0.00 0.00 0.00 178.15 179.36 1nqt n GLU 224 N -3.84 -0.10 -0.37 2.37 2.13 0.17 -0.85 120.64 120.15 1nqt n GLU 224 Ca -0.04 0.78 0.32 0.00 0.66 0.00 0.00 57.16 58.88 1nqt n GLU 224 Cb 0.13 -1.16 0.58 0.00 0.27 0.00 0.00 31.44 31.26 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 0.34 0.05 4.31 -0.26 -1.61 -0.74 115.58 117.68 1nqt h ASN 225 Ca 0.03 0.19 -0.15 0.00 -0.56 0.00 0.00 56.30 55.82 1nqt h ASN 225 Cb 0.09 0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.52 1nqt h ASN 225 CO -0.20 -0.26 -0.74 -0.26 -1.06 0.00 0.00 177.43 174.90 1nqt h PHE 226 N 0.12 0.20 0.00 1.19 -1.00 -1.13 -3.32 116.94 113.00 1nqt h PHE 226 Ca 0.81 -0.15 0.00 0.00 2.81 0.00 0.00 57.97 61.44 1nqt h PHE 226 Cb 2.22 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 41.77 1nqt h PHE 226 CO -0.01 1.29 0.00 1.51 -1.61 0.00 0.00 178.31 179.49 1nqt n ILE 227 N -4.32 0.00 -2.26 -0.55 0.13 -0.32 0.35 119.36 112.39 1nqt n ILE 227 Ca -0.19 0.00 0.01 0.00 -1.10 0.00 0.00 62.75 61.47 1nqt n ILE 227 Cb 0.68 -0.90 0.08 0.00 -0.84 0.00 0.00 39.64 38.66 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 -0.86 1.75 -3.23 9.51 5.03 -0.82 -4.79 115.26 121.85 1nqt n ASN 228 Ca 0.00 -2.73 -0.25 0.00 0.87 0.00 0.00 54.58 52.47 1nqt n ASN 228 Cb 0.00 -0.40 -0.06 0.00 -1.02 0.00 0.00 39.78 38.30 1nqt n ASN 228 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1nqt n GLU 229 N -0.28 2.19 0.00 3.52 4.07 0.15 -5.01 120.64 125.28 1nqt n GLU 229 Ca 0.14 -4.30 0.00 0.00 -0.06 0.00 0.00 57.16 52.94 1nqt n GLU 229 Cb 0.94 -1.99 0.00 0.00 -0.06 0.00 0.00 31.44 30.33 1nqt n GLU 229 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1nqt n ALA 230 N 0.62 0.00 -0.19 4.31 0.00 -1.26 -0.15 120.51 123.84 1nqt n ALA 230 Ca 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.67 1nqt n ALA 230 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 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 0.00 -0.47 0.10 0.00 2.88 -1.26 0.11 113.62 114.97 1nqt n SER 231 Ca 0.00 0.96 0.12 0.00 -1.33 0.00 0.00 58.87 58.62 1nqt n SER 231 Cb 0.00 -0.19 0.45 0.00 -0.75 0.00 0.00 64.21 63.73 1nqt n SER 231 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1nqt n TYR 232 N -4.18 0.70 -1.41 0.66 4.02 0.79 -2.87 117.16 114.87 1nqt n TYR 232 Ca 0.01 0.24 -0.22 0.00 -0.01 0.00 0.00 57.90 57.93 1nqt n TYR 232 Cb 0.12 -0.89 0.14 0.00 -0.02 0.00 0.00 39.34 38.68 1nqt n TYR 232 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1nqt n MET 233 N -2.11 2.39 0.00 -0.72 2.81 0.30 -4.11 117.12 115.68 1nqt n MET 233 Ca 0.04 -3.26 0.00 0.00 -1.81 0.00 0.00 57.70 52.67 1nqt n MET 233 Cb 0.30 -2.12 0.00 0.00 -0.71 0.00 0.00 33.22 30.69 1nqt n MET 233 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1nqt n SER 234 N -1.04 0.96 -2.00 7.83 7.64 -0.83 -2.07 113.62 124.10 1nqt n SER 234 Ca 0.52 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 60.22 1nqt n SER 234 Cb 1.16 0.01 0.01 0.00 -1.01 0.00 0.00 64.21 64.37 1nqt n SER 234 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1nqt n ILE 235 N -1.70 2.86 0.05 0.44 2.08 -1.15 -2.13 119.36 119.81 1nqt n ILE 235 Ca 0.00 -1.86 0.00 0.00 0.56 0.00 0.00 62.75 61.45 1nqt n ILE 235 Cb 0.12 -1.42 0.00 0.00 -0.75 0.00 0.00 39.64 37.59 1nqt n ILE 235 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1nqt n LEU 236 N 0.58 -0.83 -0.58 1.39 4.77 -1.26 -4.92 117.00 116.15 1nqt n LEU 236 Ca 0.33 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1nqt n LEU 236 Cb 0.58 1.11 0.00 0.00 -2.33 0.00 0.00 43.42 42.78 1nqt n LEU 236 CO 0.34 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1nqt n GLY 237 N -1.06 0.83 0.00 -0.72 0.00 -0.90 -5.11 105.19 98.22 1nqt n GLY 237 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.58 0.00 -2.57 1.61 2.00 -0.88 -4.89 117.12 111.82 1nqt n MET 238 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1nqt n MET 238 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.43 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 0.00 -0.17 2.03 5.66 -1.26 -4.78 114.28 115.76 1nqt n THR 239 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 1nqt n THR 239 Cb 0.00 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 68.81 1nqt n THR 239 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1nqt n PRO 240 N -0.75 0.58 -0.22 1.09 -0.02 -1.26 -5.05 135.00 129.38 1nqt n PRO 240 Ca 0.00 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1nqt n PRO 240 Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 1nqt n PRO 240 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nqt n GLY 241 N 0.12 0.50 0.00 -1.23 0.00 -1.26 -4.73 105.19 98.59 1nqt n GLY 241 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.00 -0.18 1.61 7.35 -1.26 -4.86 117.46 120.12 1nqt n PHE 242 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1nqt n PHE 242 Cb 0.52 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.35 1nqt n PHE 242 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1nqt n GLY 243 N 0.16 -0.84 5.86 7.13 0.00 -1.26 -5.04 105.19 111.21 1nqt n GLY 243 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nqt n GLY 243 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nqt n ASP 244 N -0.07 0.00 -3.64 1.61 -0.08 -1.26 -4.40 116.55 108.72 1nqt n ASP 244 Ca 0.00 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.12 1nqt n ASP 244 Cb 0.05 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.43 1nqt n ASP 244 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1nqt s LYS 245 N 0.00 0.86 -0.10 -0.67 1.02 -1.26 -4.07 119.74 115.52 1nqt s LYS 245 Ca 0.00 0.08 -0.04 0.00 0.02 0.00 0.00 55.97 56.03 1nqt s LYS 245 Cb 0.00 0.40 0.05 0.00 -0.52 0.00 0.00 37.83 37.75 1nqt s LYS 245 CO 0.00 -0.25 0.21 0.95 -0.92 0.00 0.00 175.35 175.34 1nqt s THR 246 N -1.16 -0.18 0.07 2.17 -4.23 -1.26 -2.28 115.64 108.76 1nqt s THR 246 Ca -0.12 0.23 0.04 0.00 -1.18 0.00 0.00 61.69 60.67 1nqt s THR 246 Cb -0.03 -0.34 -0.03 0.00 1.34 0.00 0.00 72.50 73.44 1nqt s THR 246 CO 0.07 0.10 -0.12 0.72 -0.54 0.00 0.00 174.62 174.85 1nqt s PHE 247 N 1.73 1.04 -0.06 3.99 -0.71 -0.47 -0.56 117.98 122.93 1nqt s PHE 247 Ca -0.04 -0.50 0.02 0.00 -1.04 0.00 0.00 56.93 55.37 1nqt s PHE 247 Cb -0.11 -0.59 0.02 0.00 -1.21 0.00 0.00 43.02 41.13 1nqt s PHE 247 CO -0.07 0.01 -0.09 0.08 -1.34 0.00 0.00 175.22 173.81 1nqt s VAL 248 N -1.47 0.91 -0.04 -2.49 1.01 -0.08 -2.03 120.40 116.20 1nqt s VAL 248 Ca -0.03 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1nqt s VAL 248 Cb -0.09 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1nqt s VAL 248 CO 0.01 0.31 -0.09 0.54 0.00 0.00 0.00 175.10 175.87 1nqt s VAL 249 N 0.84 3.47 -0.34 2.92 0.11 -1.16 0.40 120.40 126.65 1nqt s VAL 249 Ca -0.12 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.28 1nqt s VAL 249 Cb -0.15 -2.43 0.08 0.00 -1.53 0.00 0.00 36.38 32.35 1nqt s VAL 249 CO 0.01 0.53 0.05 -1.58 -3.33 0.00 0.00 175.10 170.79 1nqt s GLN 250 N -0.98 2.04 0.00 1.54 -0.44 0.10 -2.53 119.66 119.39 1nqt s GLN 250 Ca 0.14 -1.59 0.00 0.00 -2.50 0.00 0.00 55.36 51.41 1nqt s GLN 250 Cb -0.11 -3.26 0.00 0.00 -1.64 0.00 0.00 33.01 28.00 1nqt s GLN 250 CO 0.03 -0.82 0.00 0.41 0.50 0.00 0.00 175.29 175.41 1nqt n GLY 251 N 4.49 0.83 2.36 2.59 0.00 0.25 -0.98 105.19 114.73 1nqt n GLY 251 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.24 -4.40 117.46 113.42 1nqt n PHE 252 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1nqt n PHE 252 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 39.48 39.23 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 2.45 1.02 0.00 7.13 0.00 -1.26 -4.73 105.19 109.80 1nqt n GLY 253 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nqt n GLY 253 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nqt n ASN 254 N 0.00 3.24 -0.04 1.61 5.15 -1.26 -4.37 115.26 119.60 1nqt n ASN 254 Ca 0.00 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.86 1nqt n ASN 254 Cb 0.00 0.49 -0.14 0.00 -0.53 0.00 0.00 39.78 39.60 1nqt n ASN 254 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1nqt n VAL 255 N -1.21 1.59 -0.03 3.44 3.14 -1.26 -3.60 118.33 120.39 1nqt n VAL 255 Ca 0.00 -0.77 -0.14 0.00 -2.96 0.00 0.00 64.34 60.47 1nqt n VAL 255 Cb 0.16 -1.07 -0.10 0.00 -1.06 0.00 0.00 33.84 31.76 1nqt n VAL 255 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1nqt h GLY 256 N 3.05 0.16 0.00 7.55 0.00 -1.79 -2.73 103.07 109.32 1nqt h GLY 256 Ca -0.39 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1nqt h GLY 256 CO 0.06 0.20 0.00 -0.10 0.00 0.00 0.00 176.54 176.70 1nqt n LEU 257 N -4.61 0.00 -0.55 3.11 7.94 -1.26 -1.60 117.00 120.03 1nqt n LEU 257 Ca -0.09 0.77 0.44 0.00 -1.11 0.00 0.00 56.01 56.02 1nqt n LEU 257 Cb 0.42 -0.27 0.75 0.00 0.53 0.00 0.00 43.42 44.85 1nqt n LEU 257 CO 0.37 -0.27 1.37 0.45 -1.11 0.00 0.00 177.39 178.21 1nqt h HIS 258 N 0.00 0.19 0.61 1.96 3.86 -1.70 0.55 115.15 120.61 1nqt h HIS 258 Ca 0.00 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1nqt h HIS 258 Cb 0.00 -0.05 0.01 0.00 1.06 0.00 0.00 27.41 28.43 1nqt h HIS 258 CO -0.19 -0.07 -0.29 0.77 0.86 0.00 0.00 177.93 179.01 1nqt h SER 259 N 0.03 -0.70 -0.07 2.45 0.02 -1.07 -0.98 113.55 113.24 1nqt h SER 259 Ca 0.83 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.78 1nqt h SER 259 Cb 3.08 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 65.77 1nqt h SER 259 CO -0.15 -0.41 -0.26 -0.03 -1.14 0.00 0.00 176.83 174.84 1nqt h MET 260 N -0.96 -0.26 -0.43 3.45 -1.53 0.10 0.72 114.93 116.03 1nqt h MET 260 Ca -0.08 0.02 0.04 0.00 -3.44 0.00 0.00 59.70 56.23 1nqt h MET 260 Cb 0.67 0.06 -0.05 0.00 -0.55 0.00 0.00 31.60 31.73 1nqt h MET 260 CO 0.14 -0.17 -0.25 0.54 0.14 0.00 0.00 176.91 177.30 1nqt n ARG 261 N -3.91 -0.19 0.11 0.39 5.12 -0.32 -0.05 116.66 117.82 1nqt n ARG 261 Ca -0.03 0.86 0.13 0.00 -1.93 0.00 0.00 57.85 56.88 1nqt n ARG 261 Cb 0.18 -1.27 0.44 0.00 -1.16 0.00 0.00 32.46 30.64 1nqt n ARG 261 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1nqt n TYR 262 N -4.09 0.88 0.05 -1.55 4.01 -0.38 -1.59 117.16 114.49 1nqt n TYR 262 Ca 0.01 0.29 0.05 0.00 -0.16 0.00 0.00 57.90 58.08 1nqt n TYR 262 Cb 0.11 -0.96 -0.07 0.00 -0.31 0.00 0.00 39.34 38.11 1nqt n TYR 262 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1nqt n LEU 263 N -2.25 0.74 -0.07 7.72 7.94 0.25 -4.17 117.00 127.16 1nqt n LEU 263 Ca 0.04 0.31 -0.10 0.00 -1.11 0.00 0.00 56.01 55.15 1nqt n LEU 263 Cb 0.36 0.04 -0.08 0.00 0.53 0.00 0.00 43.42 44.27 1nqt n LEU 263 CO 0.27 0.03 0.17 -0.74 -1.11 0.00 0.00 177.39 176.01 1nqt h HIS 264 N 0.00 0.00 0.00 1.96 2.76 -0.35 -3.02 115.15 116.50 1nqt h HIS 264 Ca -0.11 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 1nqt h HIS 264 Cb 1.36 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.32 1nqt h HIS 264 CO 0.00 0.69 0.69 -0.09 -1.30 0.00 0.00 177.93 177.92 1nqt h ARG 265 N -1.00 0.00 -0.21 5.26 2.43 -1.48 0.29 114.38 119.67 1nqt h ARG 265 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1nqt h ARG 265 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1nqt h ARG 265 CO -0.02 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.63 1nqt n PHE 266 N -1.96 0.27 0.00 2.20 0.99 -1.25 -4.99 117.46 112.73 1nqt n PHE 266 Ca -0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 57.45 57.11 1nqt n PHE 266 Cb 0.70 -0.02 0.00 0.00 -1.00 0.00 0.00 39.48 39.16 1nqt n PHE 266 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nqt n GLY 267 N 0.44 1.20 3.89 1.37 0.00 0.10 -5.11 105.19 107.08 1nqt n GLY 267 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1nqt n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqt s ALA 268 N -2.00 3.91 -0.16 4.61 0.00 -1.14 -4.24 121.76 122.74 1nqt s ALA 268 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1nqt s ALA 268 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1nqt s ALA 268 CO 0.00 0.76 -0.15 0.21 0.00 0.00 0.00 175.76 176.58 1nqt s LYS 269 N -2.07 3.20 -0.12 0.00 2.20 -0.97 -4.25 119.74 117.73 1nqt s LYS 269 Ca 0.29 -0.75 -0.29 0.00 -0.36 0.00 0.00 55.97 54.85 1nqt s LYS 269 Cb -0.13 -2.64 -0.02 0.00 -1.51 0.00 0.00 37.83 33.53 1nqt s LYS 269 CO 0.21 -0.02 1.21 0.00 -0.36 0.00 0.00 175.35 176.39 1nqt n ILE 271 N 5.02 1.56 -4.28 0.00 3.06 -0.86 -1.15 119.36 122.72 1nqt n ILE 271 Ca 0.12 -0.45 -0.19 0.00 -2.50 0.00 0.00 62.75 59.74 1nqt n ILE 271 Cb 0.46 -1.71 -0.11 0.00 0.54 0.00 0.00 39.64 38.81 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 -2.50 1.68 -0.37 1.51 0.00 -1.26 -2.21 121.76 118.62 1nqt s ALA 272 Ca -0.33 -1.39 0.05 0.00 0.00 0.00 0.00 51.96 50.29 1nqt s ALA 272 Cb 0.10 -0.10 0.17 0.00 0.00 0.00 0.00 23.12 23.29 1nqt s ALA 272 CO 0.59 0.12 0.52 0.08 0.00 0.00 0.00 175.76 177.07 1nqt s VAL 273 N -2.27 -0.75 0.10 0.00 1.01 -1.20 -3.01 120.40 114.27 1nqt s VAL 273 Ca 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 1nqt s VAL 273 Cb -0.04 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 1nqt s VAL 273 CO 0.04 -0.21 0.28 -0.83 0.00 0.00 0.00 175.10 174.38 1nqt s GLY 274 N 1.95 2.20 0.00 4.51 0.00 -1.05 -3.38 107.32 111.55 1nqt s GLY 274 Ca 0.15 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1nqt s GLY 274 CO -0.12 -0.69 0.00 -2.21 0.00 0.00 0.00 173.10 170.08 1nqt n GLU 275 N 0.18 3.57 0.04 2.90 2.13 -1.08 0.84 120.64 129.22 1nqt n GLU 275 Ca -0.04 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.85 1nqt n GLU 275 Cb 0.51 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.15 1nqt n GLU 275 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1nqt n SER 276 N 0.00 0.55 -0.09 4.31 7.64 -1.26 -4.41 113.62 120.36 1nqt n SER 276 Ca 0.00 0.22 -0.16 0.00 1.01 0.00 0.00 58.87 59.94 1nqt n SER 276 Cb 0.00 0.86 -0.10 0.00 -1.01 0.00 0.00 64.21 63.96 1nqt n SER 276 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1nqt h ASP 277 N 0.00 0.00 0.00 6.43 3.32 -1.98 -3.51 116.42 120.68 1nqt h ASP 277 Ca -0.07 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.43 1nqt h ASP 277 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1nqt h ASP 277 CO 0.01 1.19 0.00 0.61 -1.72 0.00 0.00 179.24 179.33 1nqt n GLY 278 N 1.53 2.95 3.62 2.75 0.00 -1.26 -5.03 105.19 109.75 1nqt n GLY 278 Ca -0.21 0.03 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 1nqt n GLY 278 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nqt s SER 279 N 1.84 -0.13 0.31 1.61 0.01 -1.24 -2.64 113.70 113.45 1nqt s SER 279 Ca 0.00 0.12 0.10 0.00 1.31 0.00 0.00 55.95 57.48 1nqt s SER 279 Cb 0.00 0.12 -0.06 0.00 0.21 0.00 0.00 66.02 66.29 1nqt s SER 279 CO 0.00 -0.14 -0.14 -0.63 0.41 0.00 0.00 173.24 172.74 1nqt s ILE 280 N -1.31 2.26 0.03 1.44 1.01 -1.22 -1.70 121.20 121.71 1nqt s ILE 280 Ca 0.06 -2.28 -0.23 0.00 0.00 0.00 0.00 60.65 58.20 1nqt s ILE 280 Cb -0.01 -2.47 0.05 0.00 0.01 0.00 0.00 42.46 40.04 1nqt s ILE 280 CO -0.05 -0.30 0.53 0.86 0.00 0.00 0.00 174.94 175.98 1nqt s TRP 281 N -2.62 -0.45 0.00 3.97 -0.11 -0.65 -3.24 118.94 115.84 1nqt s TRP 281 Ca 0.31 0.56 0.00 0.00 1.22 0.00 0.00 56.10 58.19 1nqt s TRP 281 Cb -0.00 0.34 0.00 0.00 -1.50 0.00 0.00 33.47 32.31 1nqt s TRP 281 CO 0.15 -0.63 0.00 -1.71 -4.62 0.00 0.00 176.95 170.14 1nqt n ASN 282 N 0.53 0.00 0.00 5.86 2.85 -0.94 -1.70 115.26 121.86 1nqt n ASN 282 Ca -0.19 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.28 1nqt n ASN 282 Cb 0.60 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.62 1nqt n ASN 282 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1nqt n PRO 283 N 0.00 0.00 -0.00 1.20 -0.02 -1.26 -1.41 135.00 133.51 1nqt n PRO 283 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.59 1nqt n PRO 283 Cb 0.00 -1.44 -0.14 0.00 -0.02 0.00 0.00 33.50 31.90 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 -0.92 0.41 0.00 2.55 10.43 -1.26 -5.03 116.55 122.73 1nqt n ASP 284 Ca 0.00 -0.36 0.00 0.00 2.57 0.00 0.00 54.79 57.00 1nqt n ASP 284 Cb 0.00 1.54 0.00 0.00 1.84 0.00 0.00 41.12 44.50 1nqt n ASP 284 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1nqt n GLY 285 N 1.35 3.40 3.12 0.44 0.00 -0.50 -5.04 105.19 107.96 1nqt n GLY 285 Ca -0.01 -1.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.62 1.50 -0.02 -0.61 1.01 -0.30 -4.96 121.20 116.20 1nqt s ILE 286 Ca 0.00 -0.72 -0.20 0.00 0.00 0.00 0.00 60.65 59.73 1nqt s ILE 286 Cb 0.00 -1.31 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 1nqt s ILE 286 CO 0.00 0.43 0.59 -1.81 0.00 0.00 0.00 174.94 174.15 1nqt s ASP 287 N 0.30 6.94 0.00 3.58 1.11 -1.26 -4.51 116.67 122.83 1nqt s ASP 287 Ca -0.11 1.12 0.00 0.00 0.18 0.00 0.00 52.55 53.74 1nqt s ASP 287 Cb -0.14 -2.36 0.00 0.00 1.07 0.00 0.00 42.92 41.49 1nqt s ASP 287 CO 0.04 0.08 0.70 -2.65 1.18 0.00 0.00 175.17 174.52 1nqt n PRO 288 N 2.89 0.00 -0.32 8.23 -0.02 -1.26 -1.80 135.00 142.73 1nqt n PRO 288 Ca -0.07 0.31 0.17 0.00 -2.02 0.00 0.00 63.50 61.89 1nqt n PRO 288 Cb 0.51 -1.20 0.33 0.00 -0.02 0.00 0.00 33.50 33.12 1nqt n PRO 288 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1nqt n LYS 289 N -1.24 -0.07 0.00 -0.52 3.00 -1.26 -0.44 118.16 117.62 1nqt n LYS 289 Ca 0.00 1.37 0.00 0.00 -0.00 0.00 0.00 58.31 59.68 1nqt n LYS 289 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 35.03 32.81 1nqt n LYS 289 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1nqt n GLU 290 N -5.31 0.00 0.07 1.64 1.02 -1.16 -0.87 120.64 116.03 1nqt n GLU 290 Ca 0.24 0.57 0.21 0.00 -0.02 0.00 0.00 57.16 58.16 1nqt n GLU 290 Cb 0.81 -1.47 0.72 0.00 -0.02 0.00 0.00 31.44 31.48 1nqt n GLU 290 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1nqt h LEU 291 N 0.00 0.00 0.15 -4.62 5.85 -0.38 0.12 115.31 116.43 1nqt h LEU 291 Ca 0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 1nqt h LEU 291 Cb 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.04 1nqt h LEU 291 CO 0.00 0.00 -1.37 -0.08 -0.34 0.00 0.00 178.44 176.65 1nqt h GLU 292 N 0.00 0.31 0.00 1.25 4.81 -0.55 -1.71 114.58 118.69 1nqt h GLU 292 Ca 0.22 -0.53 -0.12 0.00 -0.13 0.00 0.00 59.36 58.80 1nqt h GLU 292 Cb 1.23 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.80 1nqt h GLU 292 CO -0.00 1.23 -0.55 0.22 -0.73 0.00 0.00 179.01 179.17 1nqt h ASP 293 N 0.08 0.00 -0.16 1.04 1.82 0.11 -2.62 116.42 116.70 1nqt h ASP 293 Ca -0.19 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.37 1nqt h ASP 293 Cb 2.02 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 42.03 1nqt h ASP 293 CO 0.20 0.55 -0.22 0.15 -1.61 0.00 0.00 179.24 178.32 1nqt h PHE 294 N 0.00 0.52 0.00 0.28 3.57 -0.95 0.42 116.94 120.78 1nqt h PHE 294 Ca -0.01 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 1nqt h PHE 294 Cb 1.34 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.98 1nqt h PHE 294 CO 0.00 0.84 -0.06 -0.22 -2.23 0.00 0.00 178.31 176.63 1nqt h LYS 295 N 0.04 0.00 0.00 1.11 3.64 -1.30 -3.03 116.57 117.04 1nqt h LYS 295 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1nqt h LYS 295 Cb 0.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1nqt h LYS 295 CO 0.05 0.06 -0.04 1.25 -2.27 0.00 0.00 179.45 178.51 1nqt h LEU 296 N 0.00 0.00 -0.35 5.20 7.12 -1.28 -3.38 115.31 122.63 1nqt h LEU 296 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1nqt h LEU 296 Cb 0.17 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.30 1nqt h LEU 296 CO 0.01 0.18 0.78 -0.61 -0.13 0.00 0.00 178.44 178.66 1nqt h GLN 297 N -0.32 0.00 -0.22 1.25 4.15 -0.92 -3.38 115.11 115.66 1nqt h GLN 297 Ca 0.00 0.00 0.26 0.00 0.77 0.00 0.00 58.65 59.68 1nqt h GLN 297 Cb 0.04 0.00 -0.25 0.00 0.21 0.00 0.00 27.48 27.48 1nqt h GLN 297 CO 0.00 0.00 0.40 -3.38 -1.93 0.00 0.00 178.83 173.92 1nqt s HIS 298 N -3.66 -0.20 0.00 3.99 -3.43 -1.15 -5.09 115.29 105.76 1nqt s HIS 298 Ca -0.01 0.29 0.00 0.00 -0.80 0.00 0.00 55.06 54.54 1nqt s HIS 298 Cb 0.02 0.10 0.00 0.00 -1.43 0.00 0.00 32.58 31.26 1nqt s HIS 298 CO 0.05 -0.10 0.00 0.41 -2.00 0.00 0.00 174.74 173.10 1nqt n GLY 299 N 4.93 2.00 3.98 -1.38 0.00 -1.26 -4.67 105.19 108.78 1nqt n GLY 299 Ca -0.07 0.44 -0.22 0.00 0.00 0.00 0.00 46.02 46.16 1nqt n GLY 299 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nqt s SER 300 N -3.99 4.91 -0.01 1.61 0.15 -1.26 -4.71 113.70 110.39 1nqt s SER 300 Ca 0.00 -1.01 0.02 0.00 0.70 0.00 0.00 55.95 55.66 1nqt s SER 300 Cb 0.00 0.33 0.07 0.00 -1.71 0.00 0.00 66.02 64.70 1nqt s SER 300 CO 0.00 -1.23 0.81 2.30 1.20 0.00 0.00 173.24 176.32 1nqt n ILE 301 N -2.03 0.17 -3.15 6.45 -5.35 -1.26 -4.62 119.36 109.58 1nqt n ILE 301 Ca 0.08 -0.11 -0.41 0.00 -0.27 0.00 0.00 62.75 62.05 1nqt n ILE 301 Cb 0.63 -0.25 -0.07 0.00 -1.74 0.00 0.00 39.64 38.21 1nqt n ILE 301 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1nqt s LEU 302 N -0.58 4.09 0.00 7.28 1.02 -1.26 -3.93 118.68 125.29 1nqt s LEU 302 Ca 0.05 0.56 0.00 0.00 0.02 0.00 0.00 54.13 54.76 1nqt s LEU 302 Cb 0.03 -2.79 0.00 0.00 0.02 0.00 0.00 46.19 43.45 1nqt s LEU 302 CO 0.02 -0.39 0.00 0.61 0.02 0.00 0.00 176.35 176.62 1nqt n GLY 303 N 4.31 0.97 3.75 -3.19 0.00 -1.26 -5.09 105.19 104.68 1nqt n GLY 303 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.93 3.59 0.00 1.61 5.36 -1.25 -5.07 117.98 120.28 1nqt s PHE 304 Ca 0.00 0.96 0.00 0.00 -0.96 0.00 0.00 56.93 56.93 1nqt s PHE 304 Cb 0.00 -2.51 0.00 0.00 -0.34 0.00 0.00 43.02 40.17 1nqt s PHE 304 CO 0.00 0.30 0.00 -2.30 -1.46 0.00 0.00 175.22 171.76 1nqt n PRO 305 N 3.13 -1.49 -0.69 10.12 -0.02 -1.26 -3.30 135.00 141.49 1nqt n PRO 305 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1nqt n PRO 305 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1nqt n PRO 305 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1nqt n LYS 306 N -1.67 -1.13 -3.64 -0.52 5.02 -1.26 -4.77 118.16 110.19 1nqt n LYS 306 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1nqt n LYS 306 Cb 0.00 -3.31 -0.07 0.00 -0.02 0.00 0.00 35.03 31.64 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 -0.69 -2.12 -0.06 7.82 0.00 -1.21 -4.88 121.76 120.62 1nqt s ALA 307 Ca 0.00 2.27 -0.21 0.00 0.00 0.00 0.00 51.96 54.03 1nqt s ALA 307 Cb 0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 1nqt s ALA 307 CO 0.00 -0.36 0.59 0.21 0.00 0.00 0.00 175.76 176.20 1nqt s LYS 308 N 1.40 4.36 -0.27 0.00 2.47 -0.69 -4.56 119.74 122.46 1nqt s LYS 308 Ca -0.09 0.68 -0.29 0.00 -1.56 0.00 0.00 55.97 54.72 1nqt s LYS 308 Cb -0.04 -3.41 -0.06 0.00 -1.46 0.00 0.00 37.83 32.86 1nqt s LYS 308 CO -0.16 0.20 2.25 -2.30 0.16 0.00 0.00 175.35 175.50 1nqt n PRO 309 N 3.37 1.74 -3.33 4.03 -0.02 -1.26 -1.63 135.00 137.90 1nqt n PRO 309 Ca -0.05 0.44 -0.33 0.00 -2.02 0.00 0.00 63.50 61.53 1nqt n PRO 309 Cb 0.51 -3.18 -0.06 0.00 -0.02 0.00 0.00 33.50 30.76 1nqt n PRO 309 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1nqt s TYR 310 N 8.74 3.49 -0.38 6.00 5.04 -0.69 -4.97 117.35 134.59 1nqt s TYR 310 Ca 1.02 1.03 -0.14 0.00 -2.44 0.00 0.00 57.07 56.53 1nqt s TYR 310 Cb -0.37 -2.37 0.00 0.00 0.35 0.00 0.00 41.96 39.57 1nqt s TYR 310 CO 0.36 0.30 0.30 -1.21 -1.34 0.00 0.00 175.55 173.95 1nqt s GLU 311 N -2.49 3.23 0.00 4.97 2.02 -1.26 -3.74 118.70 121.43 1nqt s GLU 311 Ca 0.45 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.64 1nqt s GLU 311 Cb -0.13 -3.90 0.00 0.00 0.10 0.00 0.00 34.13 30.20 1nqt s GLU 311 CO 0.20 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.26 1nqt n GLY 312 N 5.12 0.30 3.13 -1.39 0.00 -1.26 -5.00 105.19 106.09 1nqt n GLY 312 Ca -0.11 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 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 3.00 0.04 1.61 1.04 -1.26 -4.46 113.70 109.67 1nqt s SER 313 Ca 0.00 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 55.86 1nqt s SER 313 Cb 0.00 -1.39 0.07 0.00 0.10 0.00 0.00 66.02 64.80 1nqt s SER 313 CO 0.00 0.04 0.82 2.30 0.98 0.00 0.00 173.24 177.38 1nqt n ILE 314 N 4.28 1.01 0.00 -1.02 -0.00 -1.26 -3.28 119.36 119.09 1nqt n ILE 314 Ca -0.20 0.53 0.00 0.00 -0.00 0.00 0.00 62.75 63.08 1nqt n ILE 314 Cb 0.51 -1.53 0.00 0.00 -0.00 0.00 0.00 39.64 38.62 1nqt n ILE 314 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1nqt n LEU 315 N -1.35 0.00 -0.00 7.28 4.32 -1.26 -0.05 117.00 125.94 1nqt n LEU 315 Ca -0.00 0.14 0.02 0.00 -0.02 0.00 0.00 56.01 56.15 1nqt n LEU 315 Cb 0.25 -0.14 -0.03 0.00 -1.62 0.00 0.00 43.42 41.88 1nqt n LEU 315 CO 0.01 -0.14 -0.47 -0.62 -1.22 0.00 0.00 177.39 174.94 1nqt n GLU 316 N -1.05 0.87 -1.10 3.23 1.02 -1.20 -4.62 120.64 117.78 1nqt n GLU 316 Ca 0.00 -0.03 -0.35 0.00 -0.02 0.00 0.00 57.16 56.76 1nqt n GLU 316 Cb 0.06 -1.02 0.01 0.00 -0.02 0.00 0.00 31.44 30.47 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 -1.55 -3.23 -2.78 0.62 0.00 0.93 -3.93 120.51 110.57 1nqt n ALA 317 Ca -0.00 -0.12 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 1nqt n ALA 317 Cb 0.08 -1.24 -0.05 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.91 6.25 0.31 0.00 2.15 -1.26 -4.24 116.67 118.97 1nqt s ASP 318 Ca 0.50 -0.80 -0.05 0.00 0.43 0.00 0.00 52.55 52.63 1nqt s ASP 318 Cb -0.41 -2.35 0.02 0.00 -0.30 0.00 0.00 42.92 39.87 1nqt s ASP 318 CO 0.62 -1.09 0.49 0.00 -0.17 0.00 0.00 175.17 175.01 1nqt n ASP 320 N -1.62 1.66 -4.86 0.00 10.43 0.28 -2.55 116.55 119.89 1nqt n ASP 320 Ca -0.02 0.60 -0.36 0.00 2.57 0.00 0.00 54.79 57.58 1nqt n ASP 320 Cb 0.50 -0.84 -0.06 0.00 1.84 0.00 0.00 41.12 42.56 1nqt n ASP 320 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1nqt s ILE 321 N -2.16 5.15 -0.30 0.53 1.09 -0.33 -0.97 121.20 124.22 1nqt s ILE 321 Ca -0.14 0.53 -0.01 0.00 -1.10 0.00 0.00 60.65 59.93 1nqt s ILE 321 Cb 0.02 -3.63 0.09 0.00 -1.06 0.00 0.00 42.46 37.88 1nqt s ILE 321 CO 0.21 0.45 0.08 -0.22 -0.10 0.00 0.00 174.94 175.36 1nqt s LEU 322 N -1.47 2.26 -0.32 2.97 1.98 0.16 -0.91 118.68 123.35 1nqt s LEU 322 Ca 0.27 -1.56 -0.10 0.00 -2.89 0.00 0.00 54.13 49.84 1nqt s LEU 322 Cb -0.15 -0.89 -0.01 0.00 0.66 0.00 0.00 46.19 45.81 1nqt s LEU 322 CO 0.14 -0.39 0.18 0.27 -1.89 0.00 0.00 176.35 174.65 1nqt s ILE 323 N 1.60 4.80 -1.48 6.68 -4.36 0.16 -1.63 121.20 126.97 1nqt s ILE 323 Ca 0.08 -0.34 -0.12 0.00 -0.26 0.00 0.00 60.65 60.01 1nqt s ILE 323 Cb -0.17 -3.45 0.02 0.00 1.25 0.00 0.00 42.46 40.11 1nqt s ILE 323 CO -0.22 0.06 2.41 -2.65 0.24 0.00 0.00 174.94 174.78 1nqt n PRO 324 N 5.02 3.25 -1.15 0.37 -0.02 -1.23 -0.72 135.00 140.51 1nqt n PRO 324 Ca -0.14 -2.62 -0.22 0.00 -2.02 0.00 0.00 63.50 58.51 1nqt n PRO 324 Cb 0.49 -3.08 -0.12 0.00 -0.02 0.00 0.00 33.50 30.77 1nqt n PRO 324 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nqt n ALA 325 N 4.96 6.77 0.00 3.55 0.00 -0.15 -3.71 120.51 131.93 1nqt n ALA 325 Ca 0.59 -2.49 0.00 0.00 0.00 0.00 0.00 53.44 51.54 1nqt n ALA 325 Cb 0.34 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.14 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 2.71 0.00 -1.21 0.00 0.00 -1.19 -4.35 120.51 116.47 1nqt n ALA 326 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1nqt n ALA 326 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1nqt n ALA 326 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nqt n SER 327 N 0.00 -2.71 -3.16 0.00 3.41 -1.26 -4.92 113.62 104.98 1nqt n SER 327 Ca 0.00 0.44 -0.14 0.00 -0.26 0.00 0.00 58.87 58.92 1nqt n SER 327 Cb 0.00 -2.64 0.13 0.00 -0.26 0.00 0.00 64.21 61.45 1nqt n SER 327 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1nqt n GLU 328 N -1.27 -2.67 0.00 4.33 1.02 -1.26 -4.42 120.64 116.37 1nqt n GLU 328 Ca 0.00 -0.65 0.00 0.00 -0.02 0.00 0.00 57.16 56.49 1nqt n GLU 328 Cb 0.04 -0.93 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 1nqt n GLU 328 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1nqt n LYS 329 N -3.14 0.00 -0.09 3.49 4.76 -1.02 -4.78 118.16 117.38 1nqt n LYS 329 Ca 0.06 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.40 1nqt n LYS 329 Cb 0.27 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.33 1nqt n LYS 329 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1nqt n GLN 330 N 0.00 1.04 -3.71 1.97 -0.06 0.17 -4.82 117.38 111.97 1nqt n GLN 330 Ca 0.00 0.03 -0.37 0.00 -2.00 0.00 0.00 57.00 54.65 1nqt n GLN 330 Cb 0.00 -1.44 -0.11 0.00 -4.06 0.00 0.00 30.24 24.64 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 -5.53 5.38 0.00 1.69 1.43 -0.31 -5.00 118.68 116.34 1nqt s LEU 331 Ca -0.14 -2.10 0.00 0.00 -1.03 0.00 0.00 54.13 50.86 1nqt s LEU 331 Cb 0.06 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1nqt s LEU 331 CO 0.64 -0.56 0.00 0.35 0.23 0.00 0.00 176.35 177.01 1nqt n THR 332 N 4.54 0.00 0.17 5.49 -2.24 -1.26 -1.94 114.28 119.04 1nqt n THR 332 Ca -0.02 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.82 1nqt n THR 332 Cb 0.41 -0.83 0.09 0.00 -2.10 0.00 0.00 70.33 67.89 1nqt n THR 332 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1nqt h LYS 333 N 0.00 0.00 0.00 -0.78 3.11 -1.95 -3.11 116.57 113.84 1nqt h LYS 333 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1nqt h LYS 333 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1nqt h LYS 333 CO 0.00 0.27 0.00 0.45 -2.81 0.00 0.00 179.45 177.36 1nqt n SER 334 N -3.16 0.00 0.00 4.20 2.88 -1.26 -4.17 113.62 112.12 1nqt n SER 334 Ca 0.03 0.48 0.08 0.00 -1.33 0.00 0.00 58.87 58.13 1nqt n SER 334 Cb 0.64 -0.19 0.46 0.00 -0.75 0.00 0.00 64.21 64.38 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 -1.07 0.00 -0.22 -3.46 0.23 -1.26 -4.14 115.26 105.34 1nqt n ASN 335 Ca 0.00 -1.45 -0.06 0.00 -0.53 0.00 0.00 54.58 52.54 1nqt n ASN 335 Cb 0.00 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 37.74 1nqt n ASN 335 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1nqt h ALA 336 N 3.43 0.80 -0.22 -2.53 0.00 -1.70 -2.95 119.26 116.09 1nqt h ALA 336 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1nqt h ALA 336 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1nqt h ALA 336 CO 0.00 0.32 -0.42 -1.35 0.00 0.00 0.00 179.25 177.81 1nqt h PRO 337 N 0.85 0.52 -3.42 0.00 0.11 -1.82 -3.34 132.00 124.91 1nqt h PRO 337 Ca 0.22 -0.27 -0.72 0.00 0.11 0.00 0.00 66.00 65.34 1nqt h PRO 337 Cb 0.05 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.10 1nqt h PRO 337 CO -0.03 0.85 2.88 -2.13 -0.21 0.00 0.00 178.00 179.35 1nqt n ARG 338 N -4.02 3.53 -3.46 1.05 0.63 -1.11 -4.78 116.66 108.50 1nqt n ARG 338 Ca -0.02 -2.91 -0.18 0.00 -0.92 0.00 0.00 57.85 53.83 1nqt n ARG 338 Cb 0.52 -2.98 -0.12 0.00 0.45 0.00 0.00 32.46 30.33 1nqt n ARG 338 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1nqt s VAL 339 N 1.49 -0.35 0.00 5.15 -7.23 -1.25 -4.52 120.40 113.69 1nqt s VAL 339 Ca 0.51 -0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 1nqt s VAL 339 Cb 0.14 -0.78 0.00 0.00 0.56 0.00 0.00 36.38 36.30 1nqt s VAL 339 CO -0.06 -0.30 0.95 0.29 -0.31 0.00 0.00 175.10 175.67 1nqt n LYS 340 N 5.32 0.00 0.00 4.82 4.76 -1.25 -4.84 118.16 126.97 1nqt n LYS 340 Ca -0.05 0.62 0.00 0.00 -2.87 0.00 0.00 58.31 56.02 1nqt n LYS 340 Cb 0.48 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 1nqt n LYS 340 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nqt n ALA 341 N -2.17 -0.51 0.04 7.82 0.00 -1.06 -4.90 120.51 119.74 1nqt n ALA 341 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1nqt n ALA 341 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1nqt n ALA 341 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1nqt h LYS 342 N 0.00 0.00 -4.56 0.00 1.79 -1.20 -3.46 116.57 109.14 1nqt h LYS 342 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 1nqt h LYS 342 Cb 0.00 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 30.31 1nqt h LYS 342 CO 0.00 0.44 -0.82 0.42 -1.08 0.00 0.00 179.45 178.41 1nqt s ILE 343 N -2.83 1.24 -0.25 1.86 1.01 -0.91 -1.69 121.20 119.62 1nqt s ILE 343 Ca -0.02 -0.50 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 1nqt s ILE 343 Cb 0.08 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.39 1nqt s ILE 343 CO 0.81 0.39 0.02 -0.63 0.00 0.00 0.00 174.94 175.52 1nqt s ILE 344 N 0.96 3.72 -0.56 2.92 1.01 0.13 0.35 121.20 129.73 1nqt s ILE 344 Ca -0.08 -0.53 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 1nqt s ILE 344 Cb -0.15 -2.79 0.14 0.00 0.01 0.00 0.00 42.46 39.67 1nqt s ILE 344 CO -0.00 0.28 0.41 0.00 0.00 0.00 0.00 174.94 175.62 1nqt s ALA 345 N 1.50 3.51 0.00 9.38 0.00 -0.65 -0.29 121.76 135.21 1nqt s ALA 345 Ca 0.04 -2.88 -0.07 0.00 0.00 0.00 0.00 51.96 49.06 1nqt s ALA 345 Cb -0.16 -2.80 -0.08 0.00 0.00 0.00 0.00 23.12 20.08 1nqt s ALA 345 CO -0.00 -2.00 0.79 0.39 0.00 0.00 0.00 175.76 174.94 1nqt n GLU 346 N 4.27 0.00 0.00 0.00 1.02 -0.81 -3.54 120.64 121.59 1nqt n GLU 346 Ca 0.01 -0.40 0.00 0.00 -0.02 0.00 0.00 57.16 56.75 1nqt n GLU 346 Cb 0.41 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1nqt n GLU 346 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nqt n GLY 347 N 3.75 0.07 3.78 0.62 0.00 -1.25 -4.32 105.19 107.85 1nqt n GLY 347 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.22 -0.60 -0.09 4.61 0.00 -1.24 -4.49 121.76 119.73 1nqt s ALA 348 Ca 0.00 -0.83 -0.15 0.00 0.00 0.00 0.00 51.96 50.99 1nqt s ALA 348 Cb 0.00 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.78 1nqt s ALA 348 CO 0.00 -0.97 0.36 -0.80 0.00 0.00 0.00 175.76 174.35 1nqt s ASN 349 N -3.09 6.63 -1.57 0.00 0.01 -1.26 -4.45 114.94 111.21 1nqt s ASN 349 Ca 0.17 0.74 -0.10 0.00 -0.71 0.00 0.00 52.86 52.96 1nqt s ASN 349 Cb -0.05 -2.22 0.09 0.00 0.41 0.00 0.00 41.25 39.48 1nqt s ASN 349 CO 0.12 0.19 0.62 0.61 -1.51 0.00 0.00 177.10 177.14 1nqt n GLY 350 N 2.65 -0.35 0.23 0.66 0.00 -1.26 -4.60 105.19 102.52 1nqt n GLY 350 Ca -0.12 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1nqt n GLY 350 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nqt h PRO 351 N -1.68 0.00 -5.88 1.61 0.13 -1.83 -2.69 132.00 121.65 1nqt h PRO 351 Ca -0.61 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.83 1nqt h PRO 351 Cb 1.38 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.20 1nqt h PRO 351 CO 0.71 0.15 -0.87 -0.08 -0.23 0.00 0.00 178.00 177.68 1nqt s THR 352 N -3.54 2.16 1.09 1.56 -1.32 -1.26 0.43 115.64 114.75 1nqt s THR 352 Ca 0.02 -1.02 -0.14 0.00 -1.21 0.00 0.00 61.69 59.33 1nqt s THR 352 Cb 0.09 -1.80 0.23 0.00 -1.51 0.00 0.00 72.50 69.52 1nqt s THR 352 CO 0.62 0.57 1.08 0.42 -2.21 0.00 0.00 174.62 175.10 1nqt s THR 353 N -0.08 1.89 0.13 5.08 -4.23 -0.82 -4.88 115.64 112.72 1nqt s THR 353 Ca -0.06 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.33 1nqt s THR 353 Cb -0.14 -2.43 -0.07 0.00 1.34 0.00 0.00 72.50 71.20 1nqt s THR 353 CO 0.04 0.00 1.44 -0.65 -0.54 0.00 0.00 174.62 174.91 1nqt h PRO 354 N -2.21 0.87 0.54 3.99 0.11 -1.98 -2.66 132.00 130.66 1nqt h PRO 354 Ca -0.53 -0.49 -0.02 0.00 0.11 0.00 0.00 66.00 65.07 1nqt h PRO 354 Cb 1.33 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.46 1nqt h PRO 354 CO 0.51 1.13 -0.42 0.93 -0.21 0.00 0.00 178.00 179.95 1nqt h GLU 355 N 0.67 -0.89 -0.86 1.05 4.39 -1.93 -2.77 114.58 114.24 1nqt h GLU 355 Ca 0.04 0.06 0.16 0.00 0.34 0.00 0.00 59.36 59.96 1nqt h GLU 355 Cb 1.01 0.20 -0.15 0.00 -0.10 0.00 0.00 28.75 29.70 1nqt h GLU 355 CO 0.10 -0.59 -0.26 0.00 -1.16 0.00 0.00 179.01 177.10 1nqt n ALA 356 N -2.67 0.09 0.06 3.43 0.00 -1.19 -0.18 120.51 120.04 1nqt n ALA 356 Ca -0.11 0.91 -0.15 0.00 0.00 0.00 0.00 53.44 54.09 1nqt n ALA 356 Cb 0.40 -0.50 -0.08 0.00 0.00 0.00 0.00 19.45 19.27 1nqt n ALA 356 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nqt h ASP 357 N 0.00 -1.50 -0.93 0.00 3.32 -1.23 0.47 116.42 116.55 1nqt h ASP 357 Ca 0.37 0.17 0.25 0.00 0.02 0.00 0.00 57.03 57.84 1nqt h ASP 357 Cb 0.58 0.58 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 1nqt h ASP 357 CO -0.87 -0.50 0.40 0.50 -1.72 0.00 0.00 179.24 177.05 1nqt h LYS 358 N -0.64 0.33 0.42 3.56 3.64 -0.30 0.29 116.57 123.88 1nqt h LYS 358 Ca 0.03 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1nqt h LYS 358 Cb 0.70 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1nqt h LYS 358 CO -0.34 0.22 -0.20 0.82 -2.27 0.00 0.00 179.45 177.67 1nqt h ILE 359 N 0.34 0.00 -0.80 2.00 5.03 -0.81 -1.63 117.51 121.64 1nqt h ILE 359 Ca 0.61 -0.09 0.19 0.00 -0.12 0.00 0.00 64.86 65.45 1nqt h ILE 359 Cb 1.24 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 34.89 1nqt h ILE 359 CO -0.58 0.00 0.09 -0.26 -0.68 0.00 0.00 178.15 176.72 1nqt h PHE 360 N -0.66 0.11 0.11 1.37 0.04 -0.24 0.46 116.94 118.13 1nqt h PHE 360 Ca -0.06 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1nqt h PHE 360 Cb 0.44 0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.64 1nqt h PHE 360 CO 0.09 -0.22 -0.30 -0.07 -0.60 0.00 0.00 178.31 177.22 1nqt h LEU 361 N 0.15 -0.88 -1.71 1.54 3.38 -0.39 -1.44 115.31 115.96 1nqt h LEU 361 Ca 0.46 0.09 0.26 0.00 0.09 0.00 0.00 57.88 58.78 1nqt h LEU 361 Cb 0.86 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 1nqt h LEU 361 CO -0.66 -0.33 0.84 -0.33 0.09 0.00 0.00 178.44 178.06 1nqt h GLU 362 N -0.45 0.00 -1.98 1.13 5.08 0.05 -1.05 114.58 117.37 1nqt h GLU 362 Ca -0.01 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.76 1nqt h GLU 362 Cb 0.44 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.27 1nqt h GLU 362 CO -0.14 0.00 -0.69 2.89 -1.00 0.00 0.00 179.01 180.07 1nqt n ARG 363 N -3.70 3.26 -1.03 2.33 1.85 -0.45 -5.01 116.66 113.92 1nqt n ARG 363 Ca 0.19 -4.69 -0.01 0.00 -1.00 0.00 0.00 57.85 52.33 1nqt n ARG 363 Cb 1.13 -2.22 0.00 0.00 -1.05 0.00 0.00 32.46 30.32 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 -0.33 -1.00 -3.76 2.89 5.03 -0.40 -4.91 115.26 112.79 1nqt n ASN 364 Ca 0.34 0.04 -0.20 0.00 0.87 0.00 0.00 54.58 55.63 1nqt n ASN 364 Cb 0.50 -0.25 -0.17 0.00 -1.02 0.00 0.00 39.78 38.84 1nqt n ASN 364 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1nqt s ILE 365 N -0.17 0.18 -0.23 2.41 -1.09 -0.62 -4.95 121.20 116.73 1nqt s ILE 365 Ca 0.01 0.19 -0.21 0.00 -2.23 0.00 0.00 60.65 58.42 1nqt s ILE 365 Cb -0.00 -0.34 -0.02 0.00 -1.58 0.00 0.00 42.46 40.52 1nqt s ILE 365 CO 0.03 0.20 0.66 -0.32 -1.23 0.00 0.00 174.94 174.28 1nqt s MET 366 N 1.70 4.16 -0.19 2.79 1.75 -0.68 -4.42 119.30 124.40 1nqt s MET 366 Ca -0.00 0.63 -0.03 0.00 -1.25 0.00 0.00 55.69 55.04 1nqt s MET 366 Cb -0.13 -3.62 -0.01 0.00 2.84 0.00 0.00 34.83 33.91 1nqt s MET 366 CO -0.03 -0.35 -0.06 0.08 -0.65 0.00 0.00 175.02 174.00 1nqt s VAL 367 N 2.30 3.36 -0.48 10.11 1.01 -1.26 -0.70 120.40 134.74 1nqt s VAL 367 Ca 0.28 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1nqt s VAL 367 Cb -0.16 -2.50 0.07 0.00 0.00 0.00 0.00 36.38 33.79 1nqt s VAL 367 CO 0.09 0.45 0.48 -0.63 0.00 0.00 0.00 175.10 175.49 1nqt s ILE 368 N 1.12 5.10 0.16 2.22 1.01 0.60 -4.22 121.20 127.19 1nqt s ILE 368 Ca 0.01 -0.84 -0.32 0.00 0.00 0.00 0.00 60.65 59.50 1nqt s ILE 368 Cb -0.15 -4.18 -0.17 0.00 0.01 0.00 0.00 42.46 37.97 1nqt s ILE 368 CO -0.01 -0.65 0.92 -2.65 0.00 0.00 0.00 174.94 172.55 1nqt n PRO 369 N 5.56 0.58 0.06 2.79 -0.02 -1.26 -1.92 135.00 140.78 1nqt n PRO 369 Ca -0.10 0.20 -0.11 0.00 -2.02 0.00 0.00 63.50 61.47 1nqt n PRO 369 Cb 0.44 -1.53 -0.05 0.00 -0.02 0.00 0.00 33.50 32.34 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 2.40 -0.28 -0.66 2.55 -0.00 -1.80 0.68 116.42 119.30 1nqt h ASP 370 Ca -0.40 0.04 0.13 0.00 -0.00 0.00 0.00 57.03 56.80 1nqt h ASP 370 Cb 1.39 0.12 -0.12 0.00 -0.00 0.00 0.00 39.33 40.71 1nqt h ASP 370 CO 0.64 -0.15 -0.17 -0.11 -0.00 0.00 0.00 179.24 179.45 1nqt n LEU 371 N -5.22 -0.25 -0.02 0.15 7.94 -1.26 -1.74 117.00 116.60 1nqt n LEU 371 Ca -0.06 1.14 -0.01 0.00 -1.11 0.00 0.00 56.01 55.97 1nqt n LEU 371 Cb 0.15 -0.34 -0.00 0.00 0.53 0.00 0.00 43.42 43.75 1nqt n LEU 371 CO 0.29 -1.09 -0.08 0.00 -1.11 0.00 0.00 177.39 175.40 1nqt n TYR 372 N -5.07 0.20 -0.30 1.96 4.19 -0.77 -4.46 117.16 112.90 1nqt n TYR 372 Ca 0.10 0.08 0.14 0.00 3.31 0.00 0.00 57.90 61.54 1nqt n TYR 372 Cb 0.33 -0.35 0.31 0.00 0.49 0.00 0.00 39.34 40.12 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 -0.22 0.22 -0.97 2.98 6.46 0.42 -0.50 115.31 123.70 1nqt h LEU 373 Ca 0.00 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1nqt h LEU 373 Cb 0.12 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 1nqt h LEU 373 CO 0.00 -0.07 0.00 -0.46 -0.62 0.00 0.00 178.44 177.29 1nqt n ASN 374 N -5.11 1.44 0.00 1.25 6.94 -0.71 -3.45 115.26 115.62 1nqt n ASN 374 Ca 0.22 -1.75 0.08 0.00 -0.02 0.00 0.00 54.58 53.11 1nqt n ASN 374 Cb 0.69 -0.12 0.46 0.00 -2.36 0.00 0.00 39.78 38.45 1nqt n ASN 374 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1nqt n ALA 375 N 0.20 2.01 0.10 -2.53 0.00 -0.20 -3.81 120.51 116.29 1nqt n ALA 375 Ca 0.14 -0.09 0.16 0.00 0.00 0.00 0.00 53.44 53.65 1nqt n ALA 375 Cb 0.28 -1.27 0.68 0.00 0.00 0.00 0.00 19.45 19.13 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 2.72 0.00 0.83 0.00 0.00 -1.78 -1.15 103.07 103.69 1nqt h GLY 376 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1nqt h GLY 376 CO 0.00 0.00 -0.46 -1.33 0.00 0.00 0.00 176.54 174.75 1nqt h GLY 377 N 0.00 0.53 0.96 4.60 0.00 -1.71 -2.82 103.07 104.63 1nqt h GLY 377 Ca 0.16 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1nqt h GLY 377 CO -0.00 0.66 -0.11 -2.08 0.00 0.00 0.00 176.54 175.01 1nqt h VAL 378 N 0.06 0.79 -0.27 4.60 2.07 -1.58 -0.96 116.25 120.96 1nqt h VAL 378 Ca -0.03 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1nqt h VAL 378 Cb 1.11 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1nqt h VAL 378 CO 0.10 0.02 -0.18 0.74 0.02 0.00 0.00 177.57 178.27 1nqt h THR 379 N -0.35 0.00 -1.01 2.57 2.02 -1.29 0.27 112.91 115.11 1nqt h THR 379 Ca -0.03 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.42 1nqt h THR 379 Cb 0.27 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.62 1nqt h THR 379 CO 0.05 0.00 0.70 0.58 0.37 0.00 0.00 175.52 177.22 1nqt h VAL 380 N -0.02 0.53 0.00 3.16 2.07 -1.36 0.32 116.25 120.95 1nqt h VAL 380 Ca 0.04 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 1nqt h VAL 380 Cb 0.13 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1nqt h VAL 380 CO -0.26 0.03 -0.32 0.77 0.02 0.00 0.00 177.57 177.81 1nqt h SER 381 N 0.19 0.00 -0.12 0.57 4.64 0.90 -1.82 113.55 117.90 1nqt h SER 381 Ca 0.52 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.82 1nqt h SER 381 Cb 1.70 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1nqt h SER 381 CO -0.12 0.32 -0.01 0.22 -0.87 0.00 0.00 176.83 176.37 1nqt h TYR 382 N 0.00 0.24 -0.37 4.77 -0.00 0.89 -1.83 116.97 120.67 1nqt h TYR 382 Ca -0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.73 58.68 1nqt h TYR 382 Cb 0.81 -0.06 -0.02 0.00 -0.00 0.00 0.00 36.73 37.46 1nqt h TYR 382 CO 0.00 0.47 0.22 0.74 -0.00 0.00 0.00 178.16 179.60 1nqt h PHE 383 N -0.06 0.48 -0.17 -3.82 0.05 -1.26 -1.29 116.94 110.87 1nqt h PHE 383 Ca 0.03 0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.81 1nqt h PHE 383 Cb 0.38 -0.16 -0.01 0.00 2.00 0.00 0.00 35.95 38.16 1nqt h PHE 383 CO 0.04 0.32 0.04 1.49 -0.18 0.00 0.00 178.31 180.02 1nqt h GLU 384 N 0.51 0.28 -0.11 1.51 4.81 -0.98 0.30 114.58 120.90 1nqt h GLU 384 Ca 0.14 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1nqt h GLU 384 Cb -0.02 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.26 1nqt h GLU 384 CO -0.03 0.43 -0.54 2.35 -0.73 0.00 0.00 179.01 180.49 1nqt h TRP 385 N 0.08 -1.62 -0.50 0.92 7.01 -0.43 -0.24 115.95 121.17 1nqt h TRP 385 Ca 0.05 0.06 0.10 0.00 2.11 0.00 0.00 58.89 61.21 1nqt h TRP 385 Cb 0.28 0.72 -0.09 0.00 -2.10 0.00 0.00 29.16 27.97 1nqt h TRP 385 CO 0.01 -0.56 -0.04 -0.07 -2.79 0.00 0.00 178.44 174.99 1nqt h LEU 386 N -0.60 -0.30 -0.63 0.65 3.38 -1.16 -0.91 115.31 115.73 1nqt h LEU 386 Ca 0.03 0.13 0.13 0.00 0.09 0.00 0.00 57.88 58.25 1nqt h LEU 386 Cb 0.69 0.25 -0.12 0.00 0.09 0.00 0.00 40.66 41.57 1nqt h LEU 386 CO -0.42 -0.11 -0.17 0.50 0.09 0.00 0.00 178.44 178.32 1nqt h LYS 387 N 0.07 -0.02 0.68 1.13 3.64 0.12 0.95 116.57 123.15 1nqt h LYS 387 Ca 0.25 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1nqt h LYS 387 Cb 0.38 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1nqt h LYS 387 CO -0.45 -0.01 -0.42 -0.91 -2.27 0.00 0.00 179.45 175.38 1nqt h ASN 388 N -0.02 -1.08 -1.09 4.20 2.35 0.17 -1.22 115.58 118.90 1nqt h ASN 388 Ca 0.30 0.06 0.31 0.00 -0.55 0.00 0.00 56.30 56.42 1nqt h ASN 388 Cb 0.48 0.31 -0.11 0.00 0.05 0.00 0.00 38.32 39.05 1nqt h ASN 388 CO -0.66 -0.65 0.69 -0.07 -1.65 0.00 0.00 177.43 175.09 1nqt h LEU 389 N -1.04 0.43 -0.45 1.61 3.38 0.01 0.29 115.31 119.54 1nqt h LEU 389 Ca -0.09 0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1nqt h LEU 389 Cb 0.83 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1nqt h LEU 389 CO 0.09 0.01 -0.14 0.78 0.09 0.00 0.00 178.44 179.26 1nqt h ASN 390 N 0.34 0.90 0.00 -0.43 2.35 0.12 -3.47 115.58 115.39 1nqt h ASN 390 Ca 0.66 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1nqt h ASN 390 Cb 1.72 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.84 1nqt h ASN 390 CO -0.37 1.07 0.00 1.41 -1.65 0.00 0.00 177.43 177.89 1nqt n HIS 391 N -4.23 0.00 -3.78 1.19 8.25 0.10 -5.01 115.22 111.74 1nqt n HIS 391 Ca -0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1nqt n HIS 391 Cb 0.40 -0.05 -0.12 0.00 1.12 0.00 0.00 29.99 31.35 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 -2.00 -0.01 0.56 1.59 1.01 -1.25 -5.08 120.40 115.22 1nqt s VAL 392 Ca 0.00 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 1nqt s VAL 392 Cb 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1nqt s VAL 392 CO 0.00 0.01 1.30 -0.94 0.00 0.00 0.00 175.10 175.47 1nqt s SER 393 N 0.35 5.28 -0.08 3.32 1.04 -1.26 -4.84 113.70 117.50 1nqt s SER 393 Ca -0.02 2.63 -0.30 0.00 0.48 0.00 0.00 55.95 58.74 1nqt s SER 393 Cb -0.03 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.42 1nqt s SER 393 CO -0.01 -1.55 1.50 -0.31 0.98 0.00 0.00 173.24 173.84 1nqt s TYR 394 N -1.39 2.38 0.00 5.02 4.12 -1.26 -2.72 117.35 123.50 1nqt s TYR 394 Ca 0.73 0.54 0.00 0.00 0.02 0.00 0.00 57.07 58.36 1nqt s TYR 394 Cb -0.37 -3.75 0.00 0.00 -1.52 0.00 0.00 41.96 36.32 1nqt s TYR 394 CO 0.42 -2.99 0.00 0.41 0.02 0.00 0.00 175.55 173.42 1nqt n GLY 395 N 3.90 0.61 0.36 0.71 0.00 -1.26 -3.92 105.19 105.58 1nqt n GLY 395 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.28 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 4.42 0.58 -0.12 1.61 1.12 -1.89 -0.88 114.38 119.21 1nqt h ARG 396 Ca 0.00 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 1nqt h ARG 396 Cb 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 29.83 1nqt h ARG 396 CO 0.00 0.38 0.00 1.28 -3.11 0.00 0.00 179.97 178.52 1nqt n LEU 397 N -4.49 3.06 0.00 3.80 4.77 -1.26 -4.59 117.00 118.29 1nqt n LEU 397 Ca 0.12 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 1nqt n LEU 397 Cb 0.34 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1nqt n LEU 397 CO 0.33 0.56 0.06 0.35 -1.33 0.00 0.00 177.39 177.36 1nqt n THR 398 N 1.34 0.00 0.05 -5.08 -2.24 -0.62 -4.65 114.28 103.08 1nqt n THR 398 Ca 0.15 -0.23 -0.04 0.00 -2.27 0.00 0.00 64.05 61.66 1nqt n THR 398 Cb 0.58 1.29 0.17 0.00 -2.10 0.00 0.00 70.33 70.28 1nqt n THR 398 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1nqt h PHE 399 N 0.00 0.44 0.02 4.78 0.05 -1.45 -1.63 116.94 119.15 1nqt h PHE 399 Ca 0.00 -0.12 -0.07 0.00 3.82 0.00 0.00 57.97 61.60 1nqt h PHE 399 Cb 0.15 -0.09 0.01 0.00 2.00 0.00 0.00 35.95 38.01 1nqt h PHE 399 CO 0.00 0.73 -0.28 -0.22 -0.18 0.00 0.00 178.31 178.35 1nqt h LYS 400 N 0.31 0.16 -0.32 1.51 1.63 -1.86 -2.79 116.57 115.21 1nqt h LYS 400 Ca 0.03 -0.20 0.04 0.00 -0.85 0.00 0.00 60.65 59.67 1nqt h LYS 400 Cb 0.86 0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.51 1nqt h LYS 400 CO 0.07 0.98 0.11 -0.92 -3.45 0.00 0.00 179.45 176.24 1nqt h TYR 401 N -0.57 0.19 -0.55 1.91 -0.00 -1.82 -1.81 116.97 114.32 1nqt h TYR 401 Ca -0.04 0.02 0.02 0.00 -0.00 0.00 0.00 58.73 58.73 1nqt h TYR 401 Cb 1.09 -0.04 -0.03 0.00 -0.00 0.00 0.00 36.73 37.75 1nqt h TYR 401 CO 0.20 0.08 0.34 1.49 -0.00 0.00 0.00 178.16 180.27 1nqt h GLU 402 N 0.24 0.65 -0.38 1.82 4.81 -1.39 -0.63 114.58 119.70 1nqt h GLU 402 Ca 0.14 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 1nqt h GLU 402 Cb 0.12 -0.15 -0.08 0.00 0.63 0.00 0.00 28.75 29.27 1nqt h GLU 402 CO -0.15 0.43 -0.13 -0.09 -0.73 0.00 0.00 179.01 178.33 1nqt h ARG 403 N 0.67 -0.05 0.36 1.92 2.43 -1.17 0.61 114.38 119.15 1nqt h ARG 403 Ca 0.22 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 1nqt h ARG 403 Cb -0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1nqt h ARG 403 CO -0.09 -0.04 -0.17 -0.44 -1.51 0.00 0.00 179.97 177.73 1nqt h ASP 404 N -0.05 -0.41 -0.99 -3.80 3.45 -1.00 -2.14 116.42 111.47 1nqt h ASP 404 Ca 0.19 0.01 0.28 0.00 0.43 0.00 0.00 57.03 57.94 1nqt h ASP 404 Cb 0.34 0.11 -0.05 0.00 -0.56 0.00 0.00 39.33 39.17 1nqt h ASP 404 CO -0.42 -0.29 0.70 0.28 -1.57 0.00 0.00 179.24 177.94 1nqt h SER 405 N -0.49 0.07 -0.03 6.45 0.02 -0.03 -1.35 113.55 118.19 1nqt h SER 405 Ca -0.05 0.01 -0.23 0.00 -0.84 0.00 0.00 61.79 60.68 1nqt h SER 405 Cb 0.37 -0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.93 1nqt h SER 405 CO 0.08 0.02 -0.89 0.78 -1.14 0.00 0.00 176.83 175.68 1nqt h ASN 406 N 0.06 0.83 -0.36 3.07 -0.26 -0.29 -2.09 115.58 116.55 1nqt h ASN 406 Ca 0.48 -0.72 -0.11 0.00 -0.56 0.00 0.00 56.30 55.39 1nqt h ASN 406 Cb 1.81 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 38.80 1nqt h ASN 406 CO -0.04 1.44 -0.18 1.88 -1.06 0.00 0.00 177.43 179.47 1nqt h TYR 407 N 0.31 0.94 -0.25 1.19 0.05 -0.91 -1.62 116.97 116.68 1nqt h TYR 407 Ca -0.10 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 58.45 1nqt h TYR 407 Cb 1.55 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 39.04 1nqt h TYR 407 CO 0.11 0.94 0.05 0.45 -1.05 0.00 0.00 178.16 178.66 1nqt h HIS 408 N 0.74 0.35 0.37 4.88 3.86 -1.28 0.47 115.15 124.54 1nqt h HIS 408 Ca 0.11 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1nqt h HIS 408 Cb 0.70 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.06 1nqt h HIS 408 CO 0.04 0.33 -0.18 -0.07 0.86 0.00 0.00 177.93 178.91 1nqt h LEU 409 N 0.35 -0.42 -0.05 2.43 -0.00 -0.79 -2.57 115.31 114.26 1nqt h LEU 409 Ca 0.08 -0.14 0.02 0.00 -0.00 0.00 0.00 57.88 57.84 1nqt h LEU 409 Cb 0.16 0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 40.91 1nqt h LEU 409 CO -0.00 -0.04 -0.07 -0.07 -0.00 0.00 0.00 178.44 178.26 1nqt h LEU 410 N -0.85 -0.20 -0.79 1.67 3.38 -1.05 -2.45 115.31 115.01 1nqt h LEU 410 Ca -0.05 0.04 0.19 0.00 0.09 0.00 0.00 57.88 58.15 1nqt h LEU 410 Cb 0.54 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.26 1nqt h LEU 410 CO 0.08 -0.09 0.14 0.24 0.09 0.00 0.00 178.44 178.89 1nqt h MET 411 N -0.09 0.19 -0.23 1.13 2.86 -0.10 -0.07 114.93 118.62 1nqt h MET 411 Ca 0.05 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1nqt h MET 411 Cb 0.16 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1nqt h MET 411 CO -0.11 0.12 0.13 0.77 1.06 0.00 0.00 176.91 178.89 1nqt h SER 412 N 0.19 0.28 0.10 1.22 0.02 -1.13 0.24 113.55 114.48 1nqt h SER 412 Ca 0.46 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1nqt h SER 412 Cb 0.85 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 1nqt h SER 412 CO -0.61 0.27 -0.01 0.58 -1.14 0.00 0.00 176.83 175.92 1nqt h VAL 413 N 0.27 0.17 0.00 2.27 2.07 -0.62 0.70 116.25 121.11 1nqt h VAL 413 Ca 0.08 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1nqt h VAL 413 Cb 0.05 1.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1nqt h VAL 413 CO -0.01 0.01 -0.36 -0.61 0.02 0.00 0.00 177.57 176.62 1nqt h GLN 414 N 0.00 0.00 -0.82 1.57 4.15 -0.24 -3.13 115.11 116.64 1nqt h GLN 414 Ca -0.00 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.54 1nqt h GLN 414 Cb 0.06 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.67 1nqt h GLN 414 CO 0.00 0.23 0.44 1.49 -1.93 0.00 0.00 178.83 179.06 1nqt h GLU 415 N -1.00 0.67 0.00 1.69 4.81 -0.28 0.15 114.58 120.62 1nqt h GLU 415 Ca -0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1nqt h GLU 415 Cb 0.47 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1nqt h GLU 415 CO -0.03 0.44 0.00 0.43 -0.73 0.00 0.00 179.01 179.13 1nqt n SER 416 N -4.82 0.00 -0.01 1.04 7.64 0.24 -2.13 113.62 115.59 1nqt n SER 416 Ca 0.15 -0.72 0.05 0.00 1.01 0.00 0.00 58.87 59.35 1nqt n SER 416 Cb 0.35 -0.08 -0.08 0.00 -1.01 0.00 0.00 64.21 63.39 1nqt n SER 416 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1nqt n LEU 417 N -1.08 0.00 0.00 -3.43 7.94 0.03 -4.33 117.00 116.14 1nqt n LEU 417 Ca 0.20 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.23 1nqt n LEU 417 Cb 0.14 0.02 0.41 0.00 0.53 0.00 0.00 43.42 44.52 1nqt n LEU 417 CO 0.18 0.02 0.67 -0.62 -1.11 0.00 0.00 177.39 176.54 1nqt n GLU 418 N -1.91 0.00 0.10 1.96 1.02 0.32 -3.04 120.64 119.09 1nqt n GLU 418 Ca -0.03 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.07 1nqt n GLU 418 Cb 0.32 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.37 1nqt n GLU 418 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1nqt h ARG 419 N 0.00 0.17 -3.76 3.49 2.43 -1.62 -3.19 114.38 111.89 1nqt h ARG 419 Ca 0.00 -0.12 -0.77 0.00 -0.81 0.00 0.00 59.98 58.28 1nqt h ARG 419 Cb 0.50 0.02 -0.20 0.00 -0.42 0.00 0.00 29.97 29.86 1nqt h ARG 419 CO 0.00 0.73 1.35 1.17 -1.51 0.00 0.00 179.97 181.71 1nqt n LYS 420 N -3.85 3.71 0.00 0.20 4.81 -1.17 -4.69 118.16 117.17 1nqt n LYS 420 Ca -0.02 -3.97 0.00 0.00 -0.87 0.00 0.00 58.31 53.45 1nqt n LYS 420 Cb 0.62 -2.82 0.00 0.00 0.02 0.00 0.00 35.03 32.85 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 3.70 0.00 -2.03 5.64 -0.00 -1.21 -4.99 117.46 118.57 1nqt n PHE 421 Ca 0.34 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.74 1nqt n PHE 421 Cb 0.38 0.00 -0.03 0.00 -0.00 0.00 0.00 39.48 39.83 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 0.49 1.86 7.13 0.00 -1.26 -5.11 105.19 108.31 1nqt n GLY 422 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 1nqt n GLY 422 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nqt n LYS 423 N -0.23 1.26 0.00 1.61 3.00 -1.26 -5.08 118.16 117.46 1nqt n LYS 423 Ca -0.20 -1.81 0.00 0.00 -0.00 0.00 0.00 58.31 56.29 1nqt n LYS 423 Cb 0.64 0.38 0.00 0.00 0.00 0.00 0.00 35.03 36.04 1nqt n LYS 423 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1nqt n HIS 424 N -0.84 0.00 -1.66 5.64 1.44 -1.26 -4.86 115.22 113.68 1nqt n HIS 424 Ca -0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.64 1nqt n HIS 424 Cb 0.32 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.43 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 0.02 0.77 0.00 -1.39 0.00 -1.26 -5.04 105.19 98.29 1nqt n GLY 425 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.08 3.74 -0.02 0.00 -1.26 -4.69 105.19 99.88 1nqt n GLY 426 Ca 0.00 0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 1nqt n GLY 426 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nqt s THR 427 N -0.92 2.52 -0.39 2.61 2.01 -1.26 -5.03 115.64 115.18 1nqt s THR 427 Ca 0.00 0.26 0.03 0.00 0.31 0.00 0.00 61.69 62.29 1nqt s THR 427 Cb 0.00 -2.86 0.16 0.00 0.01 0.00 0.00 72.50 69.81 1nqt s THR 427 CO 0.00 -0.13 0.30 -0.63 -0.69 0.00 0.00 174.62 173.47 1nqt s ILE 428 N -1.98 0.25 -0.21 1.82 -1.09 -1.26 -4.91 121.20 113.83 1nqt s ILE 428 Ca 0.74 -2.31 0.15 0.00 -2.23 0.00 0.00 60.65 57.00 1nqt s ILE 428 Cb -0.28 -1.19 0.59 0.00 -1.58 0.00 0.00 42.46 40.00 1nqt s ILE 428 CO 0.43 -1.14 1.50 -0.81 -1.23 0.00 0.00 174.94 173.69 1nqt n PRO 429 N 3.25 3.21 -0.77 2.79 -0.04 -1.26 -4.35 135.00 137.82 1nqt n PRO 429 Ca 0.24 -2.94 -0.07 0.00 -0.04 0.00 0.00 63.50 60.70 1nqt n PRO 429 Cb 0.44 -1.94 0.21 0.00 -0.04 0.00 0.00 33.50 32.18 1nqt n PRO 429 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1nqt n ILE 430 N -0.36 2.31 -5.21 0.52 -5.35 -1.26 -4.64 119.36 105.37 1nqt n ILE 430 Ca 0.24 -1.20 -0.32 0.00 -0.27 0.00 0.00 62.75 61.20 1nqt n ILE 430 Cb 0.99 -0.49 -0.16 0.00 -1.74 0.00 0.00 39.64 38.24 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 -2.32 2.19 -0.07 7.28 0.11 -1.26 -4.95 120.40 121.38 1nqt s VAL 431 Ca 0.40 -1.01 -0.13 0.00 -2.93 0.00 0.00 61.98 58.31 1nqt s VAL 431 Cb 0.32 -1.81 -0.05 0.00 -1.53 0.00 0.00 36.38 33.32 1nqt s VAL 431 CO 0.10 0.57 0.32 -2.84 -3.33 0.00 0.00 175.10 169.91 1nqt s PRO 432 N -0.13 3.88 0.78 1.54 0.02 -1.26 -5.03 135.00 134.79 1nqt s PRO 432 Ca -0.04 0.21 -0.17 0.00 0.02 0.00 0.00 61.00 61.02 1nqt s PRO 432 Cb -0.14 -3.26 -0.14 0.00 0.02 0.00 0.00 34.50 30.98 1nqt s PRO 432 CO 0.04 0.61 -0.40 0.25 -0.33 0.00 0.00 177.00 177.17 1nqt n THR 433 N 2.27 0.14 -0.04 0.99 -2.24 -1.26 -4.28 114.28 109.86 1nqt n THR 433 Ca -0.15 -0.48 -0.09 0.00 -2.27 0.00 0.00 64.05 61.06 1nqt n THR 433 Cb 0.53 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 1nqt n THR 433 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nqt h ALA 434 N -0.57 0.18 0.15 6.98 0.00 -1.98 0.18 119.26 124.20 1nqt h ALA 434 Ca -0.43 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1nqt h ALA 434 Cb 1.36 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1nqt h ALA 434 CO 0.32 -0.41 -0.47 0.93 0.00 0.00 0.00 179.25 179.62 1nqt h GLU 435 N 0.09 -0.67 -0.78 0.00 3.07 -1.99 -0.30 114.58 113.99 1nqt h GLU 435 Ca 0.09 0.05 0.15 0.00 -0.50 0.00 0.00 59.36 59.15 1nqt h GLU 435 Cb 0.10 0.15 -0.15 0.00 -0.84 0.00 0.00 28.75 28.01 1nqt h GLU 435 CO -0.13 -0.45 -0.21 0.35 -1.40 0.00 0.00 179.01 177.17 1nqt h PHE 436 N -0.70 -0.47 -0.12 4.33 -0.00 -1.78 1.41 116.94 119.62 1nqt h PHE 436 Ca -0.01 0.07 0.03 0.00 -0.00 0.00 0.00 57.97 58.07 1nqt h PHE 436 Cb 0.69 0.33 -0.00 0.00 -0.00 0.00 0.00 35.95 36.96 1nqt h PHE 436 CO -0.42 -0.34 0.09 0.37 -0.00 0.00 0.00 178.31 178.01 1nqt h GLN 437 N -0.01 0.00 0.13 1.11 5.75 0.35 0.21 115.11 122.65 1nqt h GLN 437 Ca 0.37 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.86 1nqt h GLN 437 Cb 0.58 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.13 1nqt h GLN 437 CO -0.81 0.00 -0.06 -0.44 -2.65 0.00 0.00 178.83 174.87 1nqt h ASP 438 N 0.00 -0.15 -0.94 -0.69 3.45 0.34 -2.59 116.42 115.83 1nqt h ASP 438 Ca 0.06 -0.35 0.21 0.00 0.43 0.00 0.00 57.03 57.37 1nqt h ASP 438 Cb 0.23 0.04 -0.12 0.00 -0.56 0.00 0.00 39.33 38.92 1nqt h ASP 438 CO -0.00 0.45 0.51 -0.09 -1.57 0.00 0.00 179.24 178.54 1nqt h ARG 439 N -0.93 0.55 -0.44 3.56 2.43 0.79 0.34 114.38 120.68 1nqt h ARG 439 Ca -0.02 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 1nqt h ARG 439 Cb 0.49 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1nqt h ARG 439 CO 0.03 0.37 -0.17 0.82 -1.51 0.00 0.00 179.97 179.50 1nqt h ILE 440 N 0.57 1.27 -0.24 1.20 2.04 -0.72 -2.94 117.51 118.69 1nqt h ILE 440 Ca 0.58 -1.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 1nqt h ILE 440 Cb 1.01 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1nqt h ILE 440 CO -0.45 0.45 -0.06 0.77 0.00 0.00 0.00 178.15 178.85 1nqt h SER 441 N 0.71 0.48 -2.35 1.72 4.64 -0.79 -3.31 113.55 114.65 1nqt h SER 441 Ca 0.10 -0.37 -0.74 0.00 -0.47 0.00 0.00 61.79 60.31 1nqt h SER 441 Cb 0.73 -0.13 -0.32 0.00 -0.31 0.00 0.00 62.40 62.37 1nqt h SER 441 CO 0.06 0.74 0.48 0.61 -0.87 0.00 0.00 176.83 177.84 1nqt n GLY 442 N -0.14 5.80 3.72 -0.77 0.00 -0.02 -4.99 105.19 108.78 1nqt n GLY 442 Ca -0.04 -2.66 -0.38 0.00 0.00 0.00 0.00 46.02 42.94 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 -3.79 3.45 0.24 4.61 0.00 -1.11 -4.83 121.76 120.32 1nqt s ALA 443 Ca 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.25 1nqt s ALA 443 Cb 0.19 -2.72 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 1nqt s ALA 443 CO -0.09 -0.01 0.22 -1.12 0.00 0.00 0.00 175.76 174.76 1nqt s SER 444 N 0.59 0.43 0.31 0.00 0.01 -1.26 -5.04 113.70 108.74 1nqt s SER 444 Ca 0.29 -1.40 0.04 0.00 1.31 0.00 0.00 55.95 56.19 1nqt s SER 444 Cb -0.16 0.45 0.65 0.00 0.21 0.00 0.00 66.02 67.17 1nqt s SER 444 CO 0.13 -0.94 1.85 -0.08 0.41 0.00 0.00 173.24 174.60 1nqt h GLU 445 N 2.46 0.86 -0.63 12.44 4.81 -1.93 0.07 114.58 132.67 1nqt h GLU 445 Ca -0.32 -0.05 0.18 0.00 -0.13 0.00 0.00 59.36 59.04 1nqt h GLU 445 Cb 1.25 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 1nqt h GLU 445 CO 0.47 0.57 0.46 1.57 -0.73 0.00 0.00 179.01 181.35 1nqt h LYS 446 N 0.89 0.00 -0.40 1.92 2.10 -1.89 0.02 116.57 119.20 1nqt h LYS 446 Ca 0.47 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.98 1nqt h LYS 446 Cb 0.55 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 1nqt h LYS 446 CO -0.24 0.00 -0.33 -0.44 -2.00 0.00 0.00 179.45 176.44 1nqt h ASP 447 N 0.00 0.99 -0.36 7.07 3.32 -1.32 0.40 116.42 126.51 1nqt h ASP 447 Ca 0.30 -0.45 -0.17 0.00 0.02 0.00 0.00 57.03 56.73 1nqt h ASP 447 Cb 1.21 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 1nqt h ASP 447 CO -0.00 1.23 -0.43 0.40 -1.72 0.00 0.00 179.24 178.71 1nqt h ILE 448 N 0.76 1.27 -0.18 0.35 1.08 -1.14 -1.78 117.51 117.86 1nqt h ILE 448 Ca 0.07 -1.61 -0.02 0.00 -0.39 0.00 0.00 64.86 62.92 1nqt h ILE 448 Cb 0.92 1.44 -0.01 0.00 -3.07 0.00 0.00 36.82 36.10 1nqt h ILE 448 CO 0.09 0.54 0.04 0.58 -0.69 0.00 0.00 178.15 178.71 1nqt h VAL 449 N 0.75 1.20 -0.65 1.67 2.07 -0.90 -0.40 116.25 120.00 1nqt h VAL 449 Ca 0.05 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1nqt h VAL 449 Cb 1.03 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 1nqt h VAL 449 CO 0.10 0.20 0.24 0.45 0.02 0.00 0.00 177.57 178.58 1nqt h HIS 450 N 0.11 0.98 0.66 1.57 3.86 -0.88 -0.11 115.15 121.34 1nqt h HIS 450 Ca 0.06 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1nqt h HIS 450 Cb 0.27 -0.30 0.01 0.00 1.06 0.00 0.00 27.41 28.45 1nqt h HIS 450 CO 0.01 0.77 -0.32 0.66 0.86 0.00 0.00 177.93 179.91 1nqt h SER 451 N 0.94 -0.75 -1.01 2.45 4.64 -1.17 -1.13 113.55 117.53 1nqt h SER 451 Ca 0.22 -0.01 0.25 0.00 -0.47 0.00 0.00 61.79 61.78 1nqt h SER 451 Cb 0.21 0.19 -0.09 0.00 -0.31 0.00 0.00 62.40 62.41 1nqt h SER 451 CO -0.02 -0.44 0.66 1.23 -0.87 0.00 0.00 176.83 177.39 1nqt h GLY 452 N -1.04 1.12 0.85 -0.77 0.00 -0.87 0.93 103.07 103.29 1nqt h GLY 452 Ca -0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1nqt h GLY 452 CO 0.15 -0.10 -0.33 -2.00 0.00 0.00 0.00 176.54 174.26 1nqt h LEU 453 N 0.41 -0.78 -0.87 3.11 6.46 -0.77 -2.20 115.31 120.66 1nqt h LEU 453 Ca 0.56 -0.01 0.10 0.00 -0.12 0.00 0.00 57.88 58.42 1nqt h LEU 453 Cb 1.42 0.20 -0.08 0.00 -0.73 0.00 0.00 40.66 41.47 1nqt h LEU 453 CO -0.26 -0.46 0.51 0.00 -0.62 0.00 0.00 178.44 177.61 1nqt h ALA 454 N -0.89 1.27 0.43 1.25 0.00 0.35 -0.17 119.26 121.50 1nqt h ALA 454 Ca -0.09 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1nqt h ALA 454 Cb 0.74 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1nqt h ALA 454 CO 0.15 0.12 -0.27 -0.92 0.00 0.00 0.00 179.25 178.33 1nqt h TYR 455 N 0.83 -0.72 -0.26 0.00 -0.00 -0.90 -0.20 116.97 115.73 1nqt h TYR 455 Ca 0.43 -0.01 0.06 0.00 -0.00 0.00 0.00 58.73 59.21 1nqt h TYR 455 Cb 0.41 0.26 -0.07 0.00 -0.00 0.00 0.00 36.73 37.33 1nqt h TYR 455 CO -0.05 -0.42 -0.29 1.15 -0.00 0.00 0.00 178.16 178.55 1nqt h THR 456 N -0.68 0.31 -0.03 1.81 2.02 -0.58 0.57 112.91 116.33 1nqt h THR 456 Ca -0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.14 1nqt h THR 456 Cb 0.56 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1nqt h THR 456 CO 0.04 0.00 -0.14 0.24 0.37 0.00 0.00 175.52 176.03 1nqt h MET 457 N -0.30 -0.15 -0.80 6.66 2.86 -0.79 0.11 114.93 122.53 1nqt h MET 457 Ca 0.14 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.89 1nqt h MET 457 Cb 0.51 0.03 -0.12 0.00 0.06 0.00 0.00 31.60 32.08 1nqt h MET 457 CO -0.42 -0.10 -0.47 1.49 1.06 0.00 0.00 176.91 178.47 1nqt h GLU 458 N -0.15 -0.11 -0.12 1.72 4.81 -0.34 0.25 114.58 120.64 1nqt h GLU 458 Ca 0.01 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1nqt h GLU 458 Cb 0.18 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 1nqt h GLU 458 CO -0.11 -0.07 -0.33 -0.09 -0.73 0.00 0.00 179.01 177.68 1nqt h ARG 459 N -0.11 -0.40 -0.83 1.92 2.43 -0.64 -0.83 114.38 115.92 1nqt h ARG 459 Ca 0.22 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.48 1nqt h ARG 459 Cb 0.53 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 1nqt h ARG 459 CO -0.83 -0.26 0.54 0.77 -1.51 0.00 0.00 179.97 178.67 1nqt h SER 460 N -0.41 0.80 0.25 -3.80 0.02 0.70 -1.51 113.55 109.60 1nqt h SER 460 Ca 0.09 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1nqt h SER 460 Cb 0.55 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1nqt h SER 460 CO -0.35 0.51 -0.21 0.00 -1.14 0.00 0.00 176.83 175.64 1nqt h ALA 461 N 1.55 -0.96 -0.86 3.77 0.00 0.79 0.24 119.26 123.80 1nqt h ALA 461 Ca 0.36 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.39 1nqt h ALA 461 Cb 0.24 0.42 -0.13 0.00 0.00 0.00 0.00 17.79 18.32 1nqt h ALA 461 CO -0.13 -0.96 0.31 0.00 0.00 0.00 0.00 179.25 178.47 1nqt h ARG 462 N -0.45 0.31 -0.46 0.00 3.08 -0.99 0.23 114.38 116.09 1nqt h ARG 462 Ca -0.03 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.08 1nqt h ARG 462 Cb 0.38 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.30 1nqt h ARG 462 CO -0.01 0.21 0.08 0.37 -1.07 0.00 0.00 179.97 179.55 1nqt h GLN 463 N 0.32 0.21 -0.74 0.04 4.15 -0.88 0.49 115.11 118.70 1nqt h GLN 463 Ca 0.53 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.91 1nqt h GLN 463 Cb 1.00 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.61 1nqt h GLN 463 CO -0.56 0.14 0.35 0.82 -1.93 0.00 0.00 178.83 177.65 1nqt h ILE 464 N 0.21 1.23 0.39 2.39 2.04 0.15 0.28 117.51 124.21 1nqt h ILE 464 Ca 0.23 -0.65 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1nqt h ILE 464 Cb 0.30 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1nqt h ILE 464 CO -0.31 0.28 -0.19 0.24 0.00 0.00 0.00 178.15 178.17 1nqt h MET 465 N 1.04 -0.51 -0.46 2.37 2.86 0.34 -2.92 114.93 117.64 1nqt h MET 465 Ca 0.25 0.03 0.09 0.00 -2.06 0.00 0.00 59.70 58.02 1nqt h MET 465 Cb 0.10 0.12 -0.09 0.00 0.06 0.00 0.00 31.60 31.79 1nqt h MET 465 CO -0.03 -0.21 -0.12 -0.09 1.06 0.00 0.00 176.91 177.52 1nqt h ARG 466 N -1.00 -0.01 0.00 1.72 2.43 0.06 0.30 114.38 117.89 1nqt h ARG 466 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1nqt h ARG 466 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1nqt h ARG 466 CO 0.09 -0.00 0.00 2.41 -1.51 0.00 0.00 179.97 180.95 1nqt n THR 467 N -5.34 0.34 -0.08 0.20 -1.04 0.08 -0.58 114.28 107.85 1nqt n THR 467 Ca 0.04 0.08 -0.10 0.00 -2.04 0.00 0.00 64.05 62.03 1nqt n THR 467 Cb 0.25 -0.89 -0.04 0.00 -1.82 0.00 0.00 70.33 67.83 1nqt n THR 467 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nqt n ALA 468 N -1.14 0.62 -0.19 2.41 0.00 0.98 -3.83 120.51 119.36 1nqt n ALA 468 Ca 0.08 -0.54 0.15 0.00 0.00 0.00 0.00 53.44 53.13 1nqt n ALA 468 Cb 0.07 -0.08 0.48 0.00 0.00 0.00 0.00 19.45 19.93 1nqt n ALA 468 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1nqt h MET 469 N -1.00 0.45 -0.51 0.00 2.07 -0.94 0.51 114.93 115.51 1nqt h MET 469 Ca -0.10 -0.03 -0.08 0.00 -2.07 0.00 0.00 59.70 57.42 1nqt h MET 469 Cb 0.80 -0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 30.41 1nqt h MET 469 CO -0.06 0.30 -0.00 -0.22 1.07 0.00 0.00 176.91 177.99 1nqt h LYS 470 N 0.46 0.90 -0.61 1.72 3.64 -1.02 -2.85 116.57 118.80 1nqt h LYS 470 Ca 0.39 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1nqt h LYS 470 Cb 0.86 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1nqt h LYS 470 CO -0.14 0.93 0.00 0.66 -2.27 0.00 0.00 179.45 178.63 1nqt n TYR 471 N -4.31 1.01 -3.80 1.91 4.01 -0.52 -4.94 117.16 110.51 1nqt n TYR 471 Ca 0.01 -0.44 -0.23 0.00 -0.16 0.00 0.00 57.90 57.07 1nqt n TYR 471 Cb 0.32 -0.10 0.01 0.00 -0.31 0.00 0.00 39.34 39.26 1nqt n TYR 471 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1nqt n ASN 472 N 1.07 -0.99 -4.97 7.72 5.15 0.05 -4.99 115.26 118.31 1nqt n ASN 472 Ca 0.21 -0.91 -0.19 0.00 -0.60 0.00 0.00 54.58 53.08 1nqt n ASN 472 Cb 0.63 -3.61 0.05 0.00 -0.53 0.00 0.00 39.78 36.32 1nqt n ASN 472 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1nqt s LEU 473 N -6.78 3.30 0.00 1.20 1.43 -0.48 -5.01 118.68 112.34 1nqt s LEU 473 Ca 0.02 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1nqt s LEU 473 Cb -0.01 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 44.01 1nqt s LEU 473 CO 0.85 -1.19 0.00 0.61 0.23 0.00 0.00 176.35 176.84 1nqt n GLY 474 N -2.21 0.94 2.20 -3.19 0.00 -1.26 -4.57 105.19 97.10 1nqt n GLY 474 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 6.88 -3.59 0.99 4.32 -1.26 -4.51 117.00 119.83 1nqt n LEU 475 Ca 0.00 -3.72 -0.41 0.00 -0.02 0.00 0.00 56.01 51.86 1nqt n LEU 475 Cb 0.00 -0.88 0.01 0.00 -1.62 0.00 0.00 43.42 40.93 1nqt n LEU 475 CO 0.00 1.16 1.84 -0.67 -1.22 0.00 0.00 177.39 178.50 1nqt n ASP 476 N -0.96 7.59 0.13 -1.43 2.03 -1.26 -4.04 116.55 118.61 1nqt n ASP 476 Ca 0.58 -3.45 0.10 0.00 0.52 0.00 0.00 54.79 52.53 1nqt n ASP 476 Cb 1.29 -1.26 0.59 0.00 -0.72 0.00 0.00 41.12 41.03 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 4.87 0.13 0.00 -2.67 -0.00 -1.79 -2.13 115.31 113.72 1nqt h LEU 477 Ca 0.60 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.48 1nqt h LEU 477 Cb 0.32 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 1nqt h LEU 477 CO 1.31 0.09 0.00 -1.14 -0.00 0.00 0.00 178.44 178.71 1nqt n ARG 478 N -4.49 0.00 0.00 1.13 0.63 -1.26 -1.31 116.66 111.36 1nqt n ARG 478 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1nqt n ARG 478 Cb 0.20 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.11 1nqt n ARG 478 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1nqt n THR 479 N 0.00 0.00 0.00 5.15 -1.04 -1.23 0.20 114.28 117.36 1nqt n THR 479 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1nqt n THR 479 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1nqt n THR 479 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nqt n ALA 480 N -0.16 0.00 -0.26 2.41 0.00 -0.80 0.60 120.51 122.30 1nqt n ALA 480 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1nqt n ALA 480 Cb 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 1nqt n ALA 480 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqt n ALA 481 N -1.21 -0.39 -0.29 0.00 0.00 0.54 0.70 120.51 119.85 1nqt n ALA 481 Ca 0.00 0.52 0.09 0.00 0.00 0.00 0.00 53.44 54.05 1nqt n ALA 481 Cb 0.00 0.02 0.24 0.00 0.00 0.00 0.00 19.45 19.71 1nqt n ALA 481 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1nqt h TYR 482 N 0.00 0.66 0.51 0.00 0.05 -0.64 0.28 116.97 117.84 1nqt h TYR 482 Ca 0.10 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 1nqt h TYR 482 Cb 0.25 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 1nqt h TYR 482 CO -0.83 0.07 -0.40 0.28 -1.05 0.00 0.00 178.16 176.24 1nqt h VAL 483 N 0.50 0.19 -0.83 -2.88 2.07 0.59 0.28 116.25 116.18 1nqt h VAL 483 Ca 0.49 0.00 0.20 0.00 0.82 0.00 0.00 66.70 68.21 1nqt h VAL 483 Cb 0.79 0.19 -0.13 0.00 -1.52 0.00 0.00 31.29 30.62 1nqt h VAL 483 CO -0.43 0.00 0.23 -1.13 0.02 0.00 0.00 177.57 176.25 1nqt h ASN 484 N -0.89 0.04 -0.55 0.57 -1.24 0.24 0.90 115.58 114.65 1nqt h ASN 484 Ca -0.05 0.17 -0.11 0.00 0.71 0.00 0.00 56.30 57.02 1nqt h ASN 484 Cb 0.76 0.22 -0.02 0.00 0.73 0.00 0.00 38.32 40.02 1nqt h ASN 484 CO -0.00 -0.09 -0.08 0.00 -1.29 0.00 0.00 177.43 175.97 1nqt h ALA 485 N 1.70 0.75 -0.23 1.57 0.00 0.35 -2.23 119.26 121.17 1nqt h ALA 485 Ca 0.50 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1nqt h ALA 485 Cb 0.93 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1nqt h ALA 485 CO -0.58 0.64 0.08 0.82 0.00 0.00 0.00 179.25 180.21 1nqt h ILE 486 N 0.90 1.19 0.00 0.00 2.04 0.18 -0.91 117.51 120.91 1nqt h ILE 486 Ca 0.14 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1nqt h ILE 486 Cb 0.65 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1nqt h ILE 486 CO 0.04 0.19 0.00 -0.62 0.00 0.00 0.00 178.15 177.76 1nqt n GLU 487 N -4.77 0.00 -0.32 2.37 1.02 -0.11 -0.04 120.64 118.79 1nqt n GLU 487 Ca -0.03 0.81 0.01 0.00 -0.02 0.00 0.00 57.16 57.92 1nqt n GLU 487 Cb 0.15 -1.34 0.07 0.00 -0.02 0.00 0.00 31.44 30.29 1nqt n GLU 487 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1nqt h LYS 488 N 0.00 -0.03 0.00 3.49 1.57 -1.26 1.06 116.57 121.40 1nqt h LYS 488 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nqt h LYS 488 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1nqt h LYS 488 CO 0.00 -0.02 0.00 0.28 -0.57 0.00 0.00 179.45 179.14 1nqt h VAL 489 N -0.03 0.00 0.11 0.50 2.07 -0.05 -2.77 116.25 116.08 1nqt h VAL 489 Ca 0.37 -0.27 -0.26 0.00 0.82 0.00 0.00 66.70 67.36 1nqt h VAL 489 Cb 0.61 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1nqt h VAL 489 CO -0.90 0.00 -1.32 0.15 0.02 0.00 0.00 177.57 175.53 1nqt h PHE 490 N 0.00 0.43 -0.38 1.57 3.57 0.48 -3.19 116.94 119.43 1nqt h PHE 490 Ca 0.00 -0.32 0.08 0.00 3.53 0.00 0.00 57.97 61.26 1nqt h PHE 490 Cb 0.27 -0.02 -0.09 0.00 2.79 0.00 0.00 35.95 38.90 1nqt h PHE 490 CO 0.00 1.51 -0.28 -0.22 -2.23 0.00 0.00 178.31 177.10 1nqt h LYS 491 N -0.35 -0.21 -0.33 1.11 3.64 -0.88 0.61 116.57 120.17 1nqt h LYS 491 Ca -0.28 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.15 1nqt h LYS 491 Cb 1.72 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.53 1nqt h LYS 491 CO 0.06 -0.14 -0.41 0.28 -2.27 0.00 0.00 179.45 176.97 1nqt h VAL 492 N -0.22 0.00 -0.49 2.00 2.07 -1.65 0.45 116.25 118.42 1nqt h VAL 492 Ca 0.18 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.76 1nqt h VAL 492 Cb 0.50 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 1nqt h VAL 492 CO -0.51 0.00 0.19 1.88 0.02 0.00 0.00 177.57 179.16 1nqt h TYR 493 N -0.27 0.35 0.21 1.57 0.05 -1.29 -2.79 116.97 114.80 1nqt h TYR 493 Ca 0.06 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 1nqt h TYR 493 Cb 0.42 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1nqt h TYR 493 CO -0.71 0.13 -0.14 -0.97 -1.05 0.00 0.00 178.16 175.42 1nqt h ASN 494 N 0.39 -0.35 -0.36 3.88 -0.00 0.14 -1.23 115.58 118.05 1nqt h ASN 494 Ca 0.23 0.02 -0.61 0.00 -0.00 0.00 0.00 56.30 55.95 1nqt h ASN 494 Cb 0.22 0.11 -0.03 0.00 -0.00 0.00 0.00 38.32 38.61 1nqt h ASN 494 CO -0.22 -0.22 2.23 -0.62 -0.00 0.00 0.00 177.43 178.60 1nqt n GLU 495 N -5.26 2.39 0.00 6.67 1.02 0.15 -3.47 120.64 122.14 1nqt n GLU 495 Ca -0.09 -2.61 0.00 0.00 -0.02 0.00 0.00 57.16 54.44 1nqt n GLU 495 Cb 0.18 -3.37 0.00 0.00 -0.02 0.00 0.00 31.44 28.23 1nqt n GLU 495 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nqt n ALA 496 N 8.91 0.00 0.00 0.62 0.00 -1.23 -4.86 120.51 123.95 1nqt n ALA 496 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1nqt n ALA 496 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 0.00 0.28 0.00 0.00 0.00 -0.46 -3.96 105.19 101.04 1nqt n GLY 497 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1nqt n GLY 497 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nqt n VAL 498 N 0.00 0.00 0.16 1.61 0.31 -1.26 -4.65 118.33 114.50 1nqt n VAL 498 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 1nqt n VAL 498 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 1nqt n VAL 498 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1nqt h THR 499 N 0.00 0.24 -1.52 2.52 2.02 -2.02 -3.17 112.91 110.98 1nqt h THR 499 Ca 0.00 -0.71 -0.76 0.00 0.77 0.00 0.00 66.41 65.71 1nqt h THR 499 Cb 0.00 0.39 -0.16 0.00 -1.74 0.00 0.00 68.15 66.64 1nqt h THR 499 CO 0.00 0.06 1.92 0.49 0.37 0.00 0.00 175.52 178.36 1nqt n PHE 500 N -5.10 2.83 0.82 3.16 3.01 -1.26 -5.25 117.46 115.67 1nqt n PHE 500 Ca -0.07 -2.76 0.10 0.00 1.01 0.00 0.00 57.45 55.72 1nqt n PHE 500 Cb 0.24 -1.87 0.08 0.00 -0.01 0.00 0.00 39.48 37.92 1nqt n PHE 500 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40