#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqe h THR 7 N 0.00 1.44 -3.32 -3.53 2.02 -2.01 -3.46 112.91 104.04 1nqe h THR 7 Ca 0.00 -1.67 -0.57 0.00 0.77 0.00 0.00 66.41 64.94 1nqe h THR 7 Cb 0.00 2.34 -0.05 0.00 -1.74 0.00 0.00 68.15 68.70 1nqe h THR 7 CO 0.00 0.47 0.00 -0.76 0.37 0.00 0.00 175.52 175.61 1nqe s LEU 8 N -8.75 4.39 0.26 2.58 1.43 -1.26 -0.83 118.68 116.50 1nqe s LEU 8 Ca -0.15 1.16 0.11 0.00 -1.03 0.00 0.00 54.13 54.22 1nqe s LEU 8 Cb 0.03 -2.95 -0.05 0.00 0.03 0.00 0.00 46.19 43.26 1nqe s LEU 8 CO 0.76 0.06 -0.19 0.68 0.23 0.00 0.00 176.35 177.88 1nqe s VAL 9 N 0.02 2.35 -0.33 -1.59 -7.23 -0.21 -4.92 120.40 108.49 1nqe s VAL 9 Ca 0.32 -2.36 0.05 0.00 -1.81 0.00 0.00 61.98 58.18 1nqe s VAL 9 Cb -0.18 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 1nqe s VAL 9 CO 0.17 -0.42 0.31 1.33 -0.31 0.00 0.00 175.10 176.17 1nqe n VAL 10 N -0.55 0.00 0.28 1.32 0.24 -1.26 -0.63 118.33 117.73 1nqe n VAL 10 Ca -0.06 -0.41 0.12 0.00 -2.04 0.00 0.00 64.34 61.95 1nqe n VAL 10 Cb 0.60 1.02 0.15 0.00 -1.47 0.00 0.00 33.84 34.15 1nqe n VAL 10 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1nqe h THR 11 N 0.23 0.00 -0.16 3.34 2.02 -1.88 0.37 112.91 116.83 1nqe h THR 11 Ca 0.00 -0.87 -0.21 0.00 0.77 0.00 0.00 66.41 66.10 1nqe h THR 11 Cb 0.14 1.68 0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1nqe h THR 11 CO 0.00 0.00 -0.73 0.00 0.37 0.00 0.00 175.52 175.16 1nqe h ALA 12 N 2.13 0.40 0.00 6.16 0.00 -1.87 -3.38 119.26 122.69 1nqe h ALA 12 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1nqe h ALA 12 Cb 0.94 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1nqe h ALA 12 CO 0.00 0.70 -0.22 0.27 0.00 0.00 0.00 179.25 180.00 1nqe n ASN 13 N -3.93 0.15 0.00 0.00 2.04 -1.23 -4.97 115.26 107.32 1nqe n ASN 13 Ca -0.06 -1.54 0.00 0.00 -0.44 0.00 0.00 54.58 52.53 1nqe n ASN 13 Cb 0.72 -0.10 0.00 0.00 -2.53 0.00 0.00 39.78 37.87 1nqe n ASN 13 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1nqe n ARG 14 N -0.06 0.00 -4.36 -3.83 1.74 0.13 -5.01 116.66 105.26 1nqe n ARG 14 Ca 0.01 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 1nqe n ARG 14 Cb 0.58 -0.71 -0.11 0.00 -1.02 0.00 0.00 32.46 31.20 1nqe n ARG 14 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1nqe s PHE 15 N -2.06 1.93 0.22 -1.55 0.40 -1.02 -4.82 117.98 111.07 1nqe s PHE 15 Ca 0.00 -0.45 -0.32 0.00 -0.60 0.00 0.00 56.93 55.56 1nqe s PHE 15 Cb 0.00 -0.94 -0.13 0.00 0.51 0.00 0.00 43.02 42.46 1nqe s PHE 15 CO 0.00 0.40 1.48 0.39 0.70 0.00 0.00 175.22 178.19 1nqe n GLU 16 N 0.11 2.13 -3.55 0.44 1.02 -1.26 -4.27 120.64 115.27 1nqe n GLU 16 Ca -0.12 0.76 -0.15 0.00 -0.02 0.00 0.00 57.16 57.64 1nqe n GLU 16 Cb 0.58 -2.47 -0.05 0.00 -0.02 0.00 0.00 31.44 29.48 1nqe n GLU 16 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1nqe s GLN 17 N 0.01 1.05 0.35 3.49 -2.07 0.20 -4.96 119.66 117.73 1nqe s GLN 17 Ca 0.71 -0.14 -0.28 0.00 -1.82 0.00 0.00 55.36 53.83 1nqe s GLN 17 Cb -0.64 0.48 -0.11 0.00 -1.09 0.00 0.00 33.01 31.65 1nqe s GLN 17 CO 0.46 -0.37 1.41 -2.14 -1.32 0.00 0.00 175.29 173.32 1nqe s PRO 18 N -2.22 4.22 0.48 9.60 0.02 -1.26 -1.04 135.00 144.79 1nqe s PRO 18 Ca -0.06 2.41 0.16 0.00 0.02 0.00 0.00 61.00 63.53 1nqe s PRO 18 Cb -0.01 -3.02 1.17 0.00 0.02 0.00 0.00 34.50 32.66 1nqe s PRO 18 CO 0.00 -0.38 2.05 0.00 -0.33 0.00 0.00 177.00 178.34 1nqe h ARG 19 N 3.23 0.20 0.00 5.54 3.08 -1.34 -1.05 114.38 124.05 1nqe h ARG 19 Ca -0.50 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1nqe h ARG 19 Cb 1.23 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1nqe h ARG 19 CO 0.65 0.13 0.00 0.66 -1.07 0.00 0.00 179.97 180.34 1nqe h SER 20 N 0.20 0.00 0.03 7.04 4.64 -1.91 -0.03 113.55 123.53 1nqe h SER 20 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1nqe h SER 20 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1nqe h SER 20 CO -0.03 0.00 -0.56 0.41 -0.87 0.00 0.00 176.83 175.78 1nqe n THR 21 N -2.85 0.00 -3.14 2.95 -1.04 -0.40 -4.77 114.28 105.03 1nqe n THR 21 Ca -0.02 -0.18 -0.40 0.00 -2.04 0.00 0.00 64.05 61.41 1nqe n THR 21 Cb 0.12 1.07 -0.06 0.00 -1.82 0.00 0.00 70.33 69.64 1nqe n THR 21 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1nqe s VAL 22 N -2.61 5.02 -0.22 12.58 1.01 -0.03 -4.95 120.40 131.22 1nqe s VAL 22 Ca 0.17 1.11 0.17 0.00 0.00 0.00 0.00 61.98 63.43 1nqe s VAL 22 Cb 0.18 -3.92 0.10 0.00 0.00 0.00 0.00 36.38 32.74 1nqe s VAL 22 CO 0.63 0.09 1.42 -0.07 0.00 0.00 0.00 175.10 177.17 1nqe h LEU 23 N 8.45 0.00-10.13 3.92 3.38 -1.86 -3.45 115.31 115.62 1nqe h LEU 23 Ca -0.30 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.19 1nqe h LEU 23 Cb 1.14 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.94 1nqe h LEU 23 CO 0.76 0.39 0.39 0.00 0.09 0.00 0.00 178.44 180.07 1nqe s ALA 24 N -3.02 2.79 0.24 1.53 0.00 -1.26 -4.97 121.76 117.06 1nqe s ALA 24 Ca 0.04 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.24 1nqe s ALA 24 Cb 0.07 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.83 1nqe s ALA 24 CO 0.74 -0.60 1.48 -2.14 0.00 0.00 0.00 175.76 175.23 1nqe s PRO 25 N -3.62 4.24 0.03 0.00 0.02 -1.26 -4.89 135.00 129.52 1nqe s PRO 25 Ca 0.66 2.35 0.03 0.00 0.02 0.00 0.00 61.00 64.06 1nqe s PRO 25 Cb -0.17 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 31.23 1nqe s PRO 25 CO 0.28 -0.48 -0.10 -0.08 -0.33 0.00 0.00 177.00 176.30 1nqe s THR 26 N 0.15 0.77 -0.02 0.99 -1.32 -1.26 -1.69 115.64 113.26 1nqe s THR 26 Ca 0.61 -0.87 0.03 0.00 -1.21 0.00 0.00 61.69 60.25 1nqe s THR 26 Cb -0.43 -0.73 -0.00 0.00 -1.51 0.00 0.00 72.50 69.83 1nqe s THR 26 CO 0.42 -0.11 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.75 1nqe s THR 27 N -0.89 0.72 -0.09 5.08 2.01 0.36 -5.01 115.64 117.82 1nqe s THR 27 Ca -0.02 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 61.66 1nqe s THR 27 Cb -0.07 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.81 1nqe s THR 27 CO 0.01 0.22 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.25 1nqe s VAL 28 N 0.03 1.82 -0.11 3.82 1.01 -1.26 -1.12 120.40 124.59 1nqe s VAL 28 Ca -0.00 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1nqe s VAL 28 Cb -0.06 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1nqe s VAL 28 CO 0.00 0.51 -0.13 -0.69 0.00 0.00 0.00 175.10 174.79 1nqe s VAL 29 N 0.39 3.09 0.34 2.92 1.01 -0.10 -4.67 120.40 123.38 1nqe s VAL 29 Ca -0.17 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1nqe s VAL 29 Cb -0.17 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1nqe s VAL 29 CO 0.07 0.54 0.33 0.42 0.00 0.00 0.00 175.10 176.46 1nqe s THR 30 N 0.09 3.62 0.27 3.92 -4.23 -1.26 -1.01 115.64 117.04 1nqe s THR 30 Ca -0.05 -1.30 -0.04 0.00 -1.18 0.00 0.00 61.69 59.11 1nqe s THR 30 Cb -0.15 -3.23 0.24 0.00 1.34 0.00 0.00 72.50 70.71 1nqe s THR 30 CO 0.04 -0.17 1.92 -0.09 -0.54 0.00 0.00 174.62 175.79 1nqe h ARG 31 N 1.18 1.18 -0.94 3.99 9.65 -1.71 -0.90 114.38 126.83 1nqe h ARG 31 Ca -0.45 -0.09 0.11 0.00 -1.10 0.00 0.00 59.98 58.45 1nqe h ARG 31 Cb 1.25 -0.25 -0.08 0.00 -1.39 0.00 0.00 29.97 29.50 1nqe h ARG 31 CO 0.57 0.81 0.57 0.37 2.80 0.00 0.00 179.97 185.10 1nqe h GLN 32 N 1.21 0.88 -0.11 0.20 4.15 -1.95 0.21 115.11 119.69 1nqe h GLN 32 Ca 0.32 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 1nqe h GLN 32 Cb -0.08 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.41 1nqe h GLN 32 CO -0.06 0.58 0.04 -0.44 -1.93 0.00 0.00 178.83 177.02 1nqe h ASP 33 N 0.91 0.17 -0.79 -0.69 3.32 -1.59 -2.03 116.42 115.71 1nqe h ASP 33 Ca 0.47 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 1nqe h ASP 33 Cb 0.47 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 1nqe h ASP 33 CO -0.27 0.32 0.33 0.40 -1.72 0.00 0.00 179.24 178.30 1nqe h ILE 34 N 0.00 1.26 -0.55 0.35 2.04 -0.50 -0.71 117.51 119.41 1nqe h ILE 34 Ca 0.04 -0.81 -0.05 0.00 1.00 0.00 0.00 64.86 65.04 1nqe h ILE 34 Cb 0.21 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1nqe h ILE 34 CO -0.00 0.33 0.14 0.44 0.00 0.00 0.00 178.15 179.06 1nqe h ASP 35 N 1.16 0.82 -0.28 1.72 3.32 -0.54 -1.23 116.42 121.39 1nqe h ASP 35 Ca 0.27 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1nqe h ASP 35 Cb 0.20 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1nqe h ASP 35 CO -0.02 0.83 0.05 0.03 -1.72 0.00 0.00 179.24 178.41 1nqe h ARG 36 N 0.77 0.46 0.00 3.56 3.08 -0.89 -2.93 114.38 118.43 1nqe h ARG 36 Ca 0.17 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1nqe h ARG 36 Cb 0.33 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1nqe h ARG 36 CO 0.00 0.57 -0.11 -1.49 -1.07 0.00 0.00 179.97 177.86 1nqe h TRP 37 N 0.29 0.00 -1.89 3.04 6.55 -1.03 -3.45 115.95 119.45 1nqe h TRP 37 Ca 0.09 0.00 -0.30 0.00 0.95 0.00 0.00 58.89 59.63 1nqe h TRP 37 Cb 0.32 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.59 1nqe h TRP 37 CO 0.02 0.11 -0.37 1.04 -1.05 0.00 0.00 178.44 178.20 1nqe n GLN 38 N -3.41 -1.17 -1.70 0.49 6.02 -0.47 -4.96 117.38 112.18 1nqe n GLN 38 Ca -0.01 0.78 -0.43 0.00 -0.01 0.00 0.00 57.00 57.33 1nqe n GLN 38 Cb 0.29 -5.08 -0.02 0.00 1.02 0.00 0.00 30.24 26.45 1nqe n GLN 38 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1nqe n SER 39 N -0.79 2.93 -0.59 1.08 7.64 -1.23 -4.93 113.62 117.73 1nqe n SER 39 Ca -0.17 1.18 0.05 0.00 1.01 0.00 0.00 58.87 60.93 1nqe n SER 39 Cb 0.61 -1.48 0.15 0.00 -1.01 0.00 0.00 64.21 62.48 1nqe n SER 39 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1nqe n THR 40 N 1.18 1.12 -3.56 0.44 -2.24 -1.26 -5.00 114.28 104.95 1nqe n THR 40 Ca 0.08 -1.09 -0.11 0.00 -2.27 0.00 0.00 64.05 60.66 1nqe n THR 40 Cb 0.34 0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.97 1nqe n THR 40 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1nqe s SER 41 N -1.10 -0.42 0.16 3.42 1.04 -1.26 -4.81 113.70 110.73 1nqe s SER 41 Ca 0.22 -0.21 -0.09 0.00 0.48 0.00 0.00 55.95 56.36 1nqe s SER 41 Cb 0.13 0.59 0.03 0.00 0.10 0.00 0.00 66.02 66.86 1nqe s SER 41 CO 0.13 -1.01 1.52 0.58 0.98 0.00 0.00 173.24 175.45 1nqe h VAL 42 N 2.10 1.27 -0.81 5.02 2.07 -1.83 -2.84 116.25 121.23 1nqe h VAL 42 Ca -0.31 -1.51 0.11 0.00 0.82 0.00 0.00 66.70 65.80 1nqe h VAL 42 Cb 1.29 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 32.34 1nqe h VAL 42 CO 0.38 0.51 0.53 0.78 0.02 0.00 0.00 177.57 179.78 1nqe h ASN 43 N 0.73 0.64 0.44 0.57 2.35 -1.95 -0.65 115.58 117.72 1nqe h ASN 43 Ca 0.07 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 1nqe h ASN 43 Cb 0.92 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 1nqe h ASN 43 CO 0.08 0.37 -0.39 -0.78 -1.65 0.00 0.00 177.43 175.06 1nqe h ASP 44 N 0.71 0.00 -0.01 5.81 1.82 -1.91 -1.11 116.42 121.73 1nqe h ASP 44 Ca 0.38 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 57.02 1nqe h ASP 44 Cb 0.52 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.53 1nqe h ASP 44 CO -0.15 0.39 -0.01 0.58 -1.61 0.00 0.00 179.24 178.44 1nqe h VAL 45 N 0.00 1.43 -0.42 2.25 2.07 -1.11 -3.36 116.25 117.11 1nqe h VAL 45 Ca -0.00 -1.27 -0.10 0.00 0.82 0.00 0.00 66.70 66.15 1nqe h VAL 45 Cb 0.72 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 1nqe h VAL 45 CO 0.05 0.33 -0.15 -0.07 0.02 0.00 0.00 177.57 177.75 1nqe h LEU 46 N -0.51 0.77 -1.71 2.57 3.38 -1.14 -2.84 115.31 115.83 1nqe h LEU 46 Ca 0.00 -0.25 0.29 0.00 0.09 0.00 0.00 57.88 58.02 1nqe h LEU 46 Cb 0.55 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1nqe h LEU 46 CO 0.00 0.93 0.73 -0.09 0.09 0.00 0.00 178.44 180.10 1nqe h ARG 47 N 0.69 0.17 0.00 1.13 2.43 -1.35 -2.12 114.38 115.34 1nqe h ARG 47 Ca 0.11 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1nqe h ARG 47 Cb 0.64 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1nqe h ARG 47 CO 0.04 0.12 0.00 0.54 -1.51 0.00 0.00 179.97 179.16 1nqe n ARG 48 N -4.40 0.01 -4.06 0.20 1.74 -1.07 -4.89 116.66 104.19 1nqe n ARG 48 Ca 0.24 0.14 -0.24 0.00 -0.77 0.00 0.00 57.85 57.23 1nqe n ARG 48 Cb 1.03 -1.52 -0.04 0.00 -1.02 0.00 0.00 32.46 30.91 1nqe n ARG 48 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1nqe s LEU 49 N -3.07 3.95 0.29 0.55 1.43 -0.80 -4.95 118.68 116.08 1nqe s LEU 49 Ca 0.10 -0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.79 1nqe s LEU 49 Cb 0.14 -2.51 -0.11 0.00 0.03 0.00 0.00 46.19 43.73 1nqe s LEU 49 CO 0.39 0.00 1.57 -2.84 0.23 0.00 0.00 176.35 175.71 1nqe s PRO 50 N -3.54 4.14 0.00 1.29 0.02 -1.26 -2.73 135.00 132.92 1nqe s PRO 50 Ca 0.33 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.89 1nqe s PRO 50 Cb -0.09 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1nqe s PRO 50 CO 0.25 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.73 1nqe n GLY 51 N 2.13 0.81 3.69 0.52 0.00 -1.26 -4.96 105.19 106.13 1nqe n GLY 51 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1nqe n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqe s VAL 52 N -3.37 5.22 -0.24 1.61 1.01 -1.10 -1.14 120.40 122.38 1nqe s VAL 52 Ca 0.00 0.71 -0.00 0.00 0.00 0.00 0.00 61.98 62.69 1nqe s VAL 52 Cb 0.00 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.73 1nqe s VAL 52 CO 0.00 0.29 -0.00 -0.62 0.00 0.00 0.00 175.10 174.77 1nqe s ASP 53 N 0.87 3.72 -0.17 3.32 2.15 -0.73 -4.89 116.67 120.94 1nqe s ASP 53 Ca 0.20 -1.23 -0.02 0.00 0.43 0.00 0.00 52.55 51.93 1nqe s ASP 53 Cb -0.14 -1.02 -0.01 0.00 -0.30 0.00 0.00 42.92 41.44 1nqe s ASP 53 CO 0.07 -0.29 -0.10 -0.63 -0.17 0.00 0.00 175.17 174.05 1nqe s ILE 54 N 1.51 3.13 0.15 4.11 1.01 -1.26 -0.58 121.20 129.27 1nqe s ILE 54 Ca -0.01 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.10 1nqe s ILE 54 Cb -0.18 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 1nqe s ILE 54 CO -0.10 0.49 -0.04 0.42 0.00 0.00 0.00 174.94 175.72 1nqe s THR 55 N 0.80 3.61 -0.11 2.92 -4.23 -0.92 -4.98 115.64 112.75 1nqe s THR 55 Ca -0.04 -1.36 -0.13 0.00 -1.18 0.00 0.00 61.69 58.99 1nqe s THR 55 Cb -0.15 -2.77 0.03 0.00 1.34 0.00 0.00 72.50 70.95 1nqe s THR 55 CO 0.01 -0.02 0.34 -1.58 -0.54 0.00 0.00 174.62 172.83 1nqe s GLN 56 N -2.66 0.46 -0.53 3.99 0.74 -1.26 -1.01 119.66 119.38 1nqe s GLN 56 Ca 0.25 0.34 -0.07 0.00 0.05 0.00 0.00 55.36 55.94 1nqe s GLN 56 Cb -0.10 0.22 -0.20 0.00 1.10 0.00 0.00 33.01 34.02 1nqe s GLN 56 CO 0.17 -0.08 3.39 0.09 -0.55 0.00 0.00 175.29 178.32 1nqe n ASN 57 N 2.56 6.40 0.00 6.67 4.13 -0.33 -3.99 115.26 130.71 1nqe n ASN 57 Ca -0.15 -2.53 0.00 0.00 1.68 0.00 0.00 54.58 53.58 1nqe n ASN 57 Cb 0.57 -1.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.35 1nqe n ASN 57 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1nqe n GLY 58 N 2.80 0.40 0.00 7.41 0.00 -1.26 -4.77 105.19 109.77 1nqe n GLY 58 Ca 0.55 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1nqe n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nqe n GLY 59 N 0.00 1.59 3.74 -0.02 0.00 -1.26 -4.76 105.19 104.48 1nqe n GLY 59 Ca 0.00 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 1nqe n GLY 59 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1nqe n SER 60 N 0.00 3.54 0.00 1.61 2.88 -1.26 -2.82 113.62 117.57 1nqe n SER 60 Ca 0.00 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1nqe n SER 60 Cb 0.00 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 61.89 1nqe n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nqe n GLY 61 N 1.36 3.20 3.81 0.46 0.00 -1.26 -4.71 105.19 108.04 1nqe n GLY 61 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1nqe n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nqe s GLN 62 N -0.44 3.15 0.43 1.61 -1.52 -1.13 -4.75 119.66 117.02 1nqe s GLN 62 Ca 0.00 1.09 -0.24 0.00 -1.95 0.00 0.00 55.36 54.26 1nqe s GLN 62 Cb 0.00 -2.01 -0.10 0.00 -0.22 0.00 0.00 33.01 30.68 1nqe s GLN 62 CO 0.00 -0.94 1.11 1.28 -0.25 0.00 0.00 175.29 176.49 1nqe n LEU 63 N -2.52 3.26 -3.80 2.90 4.77 -1.26 -4.60 117.00 115.76 1nqe n LEU 63 Ca 0.08 1.05 -0.10 0.00 -0.03 0.00 0.00 56.01 57.01 1nqe n LEU 63 Cb 0.53 -1.41 -0.07 0.00 -2.33 0.00 0.00 43.42 40.14 1nqe n LEU 63 CO 0.51 -1.18 -0.03 -0.94 -1.33 0.00 0.00 177.39 174.42 1nqe s SER 64 N -0.70 0.01 0.00 -1.43 1.04 -1.26 -1.18 113.70 110.18 1nqe s SER 64 Ca 0.63 -0.49 0.05 0.00 0.48 0.00 0.00 55.95 56.63 1nqe s SER 64 Cb -0.53 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 65.94 1nqe s SER 64 CO 0.56 -0.71 -0.16 -0.44 0.98 0.00 0.00 173.24 173.47 1nqe s SER 65 N -2.64 1.87 -0.23 7.02 0.01 -0.18 -4.64 113.70 114.92 1nqe s SER 65 Ca 0.02 -0.34 -0.03 0.00 1.31 0.00 0.00 55.95 56.90 1nqe s SER 65 Cb 0.03 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.07 1nqe s SER 65 CO -0.09 0.16 -0.04 -0.63 0.41 0.00 0.00 173.24 173.04 1nqe s ILE 66 N -0.51 3.27 -0.37 1.44 1.01 -1.26 -2.15 121.20 122.63 1nqe s ILE 66 Ca 0.05 -0.62 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 1nqe s ILE 66 Cb -0.07 -2.53 0.08 0.00 0.01 0.00 0.00 42.46 39.95 1nqe s ILE 66 CO 0.00 0.37 0.15 -0.36 0.00 0.00 0.00 174.94 175.09 1nqe s PHE 67 N 1.45 3.39 -0.26 3.97 0.40 0.26 -4.13 117.98 123.06 1nqe s PHE 67 Ca 0.05 -1.90 -0.17 0.00 -0.60 0.00 0.00 56.93 54.30 1nqe s PHE 67 Cb -0.15 -2.72 -0.03 0.00 0.51 0.00 0.00 43.02 40.63 1nqe s PHE 67 CO -0.04 -0.86 0.47 0.42 0.70 0.00 0.00 175.22 175.92 1nqe s ILE 68 N 1.28 5.10 -1.46 0.64 -1.09 -1.26 -1.77 121.20 122.64 1nqe s ILE 68 Ca 0.02 0.79 -0.07 0.00 -2.23 0.00 0.00 60.65 59.16 1nqe s ILE 68 Cb -0.22 -3.79 0.05 0.00 -1.58 0.00 0.00 42.46 36.93 1nqe s ILE 68 CO -0.01 0.11 0.76 0.54 -1.23 0.00 0.00 174.94 175.11 1nqe n ARG 69 N 5.44 -4.58 -0.40 2.79 1.74 -0.29 -1.13 116.66 120.23 1nqe n ARG 69 Ca -0.05 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 1nqe n ARG 69 Cb 0.50 -5.15 0.00 0.00 -1.02 0.00 0.00 32.46 26.79 1nqe n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nqe n GLY 70 N -1.68 2.16 3.83 -0.13 0.00 -1.26 -4.99 105.19 103.13 1nqe n GLY 70 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1nqe n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nqe s THR 71 N -3.39 3.83 0.95 2.61 -4.23 -0.28 -4.91 115.64 110.22 1nqe s THR 71 Ca 0.00 0.59 -0.10 0.00 -1.18 0.00 0.00 61.69 61.00 1nqe s THR 71 Cb 0.00 -3.42 0.16 0.00 1.34 0.00 0.00 72.50 70.58 1nqe s THR 71 CO 0.00 -0.78 1.10 0.59 -0.54 0.00 0.00 174.62 174.99 1nqe n ASN 72 N -3.12 -0.01 0.27 3.99 3.02 -1.26 -4.06 115.26 114.08 1nqe n ASN 72 Ca 0.07 0.34 0.10 0.00 -0.03 0.00 0.00 54.58 55.07 1nqe n ASN 72 Cb 0.55 -1.44 0.73 0.00 -0.61 0.00 0.00 39.78 39.00 1nqe n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nqe h ALA 73 N -1.99 1.79 -0.05 5.41 0.00 -1.96 -0.26 119.26 122.20 1nqe h ALA 73 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1nqe h ALA 73 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1nqe h ALA 73 CO 0.42 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.56 1nqe n SER 74 N -4.26 1.19 -1.31 0.00 3.41 -1.26 -4.11 113.62 107.28 1nqe n SER 74 Ca -0.03 -1.47 0.08 0.00 -0.26 0.00 0.00 58.87 57.19 1nqe n SER 74 Cb 0.10 -0.03 0.31 0.00 -0.26 0.00 0.00 64.21 64.34 1nqe n SER 74 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nqe n HIS 75 N -0.05 1.34 -4.58 7.33 -0.00 -0.11 -4.81 115.22 114.35 1nqe n HIS 75 Ca 0.19 -0.73 -0.34 0.00 -0.00 0.00 0.00 57.72 56.84 1nqe n HIS 75 Cb 0.29 -0.32 -0.12 0.00 -0.00 0.00 0.00 29.99 29.83 1nqe n HIS 75 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1nqe s VAL 76 N -2.38 3.62 -0.37 1.59 0.11 -1.17 -0.88 120.40 120.92 1nqe s VAL 76 Ca 0.46 -0.48 -0.21 0.00 -2.93 0.00 0.00 61.98 58.82 1nqe s VAL 76 Cb 0.34 -2.53 0.01 0.00 -1.53 0.00 0.00 36.38 32.66 1nqe s VAL 76 CO 0.15 0.54 0.66 -0.22 -3.33 0.00 0.00 175.10 172.91 1nqe s LEU 77 N -0.12 4.27 -0.21 2.54 2.96 -0.94 -4.66 118.68 122.51 1nqe s LEU 77 Ca 0.01 0.10 -0.10 0.00 -0.22 0.00 0.00 54.13 53.92 1nqe s LEU 77 Cb -0.13 -2.82 -0.05 0.00 0.50 0.00 0.00 46.19 43.69 1nqe s LEU 77 CO 0.03 -0.65 0.15 -0.69 -1.32 0.00 0.00 176.35 173.88 1nqe s VAL 78 N 2.80 5.38 0.05 1.68 1.01 -1.26 -0.85 120.40 129.21 1nqe s VAL 78 Ca 0.25 0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.52 1nqe s VAL 78 Cb -0.14 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1nqe s VAL 78 CO 0.16 0.40 -0.20 -0.76 0.00 0.00 0.00 175.10 174.70 1nqe s LEU 79 N 0.63 2.54 -0.19 3.92 1.43 0.06 -1.24 118.68 125.83 1nqe s LEU 79 Ca 0.08 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1nqe s LEU 79 Cb -0.12 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.63 1nqe s LEU 79 CO 0.01 0.25 -0.13 -0.63 0.23 0.00 0.00 176.35 176.07 1nqe s ILE 80 N -0.93 2.64 -1.64 -0.59 -1.09 0.23 -0.95 121.20 118.87 1nqe s ILE 80 Ca 0.14 -0.75 -0.15 0.00 -2.23 0.00 0.00 60.65 57.67 1nqe s ILE 80 Cb -0.10 -2.15 0.13 0.00 -1.58 0.00 0.00 42.46 38.75 1nqe s ILE 80 CO 0.05 0.49 0.77 0.47 -1.23 0.00 0.00 174.94 175.49 1nqe n ASP 81 N 4.66 -3.12 0.00 3.58 8.00 0.79 -1.73 116.55 128.73 1nqe n ASP 81 Ca -0.20 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1nqe n ASP 81 Cb 0.50 -2.98 0.00 0.00 -0.02 0.00 0.00 41.12 38.63 1nqe n ASP 81 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nqe n GLY 82 N -1.53 0.86 3.04 0.44 0.00 -1.26 -5.04 105.19 101.70 1nqe n GLY 82 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1nqe n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqe s VAL 83 N -2.41 1.19 -0.14 1.61 1.01 -0.71 -4.99 120.40 115.96 1nqe s VAL 83 Ca 0.00 -0.52 -0.42 0.00 0.00 0.00 0.00 61.98 61.05 1nqe s VAL 83 Cb 0.00 -1.07 -0.20 0.00 0.00 0.00 0.00 36.38 35.11 1nqe s VAL 83 CO 0.00 0.36 1.26 -1.14 0.00 0.00 0.00 175.10 175.58 1nqe n ARG 84 N 3.73 0.14 -1.95 2.72 0.63 -1.26 -0.60 116.66 120.06 1nqe n ARG 84 Ca -0.22 0.05 -0.42 0.00 -0.92 0.00 0.00 57.85 56.34 1nqe n ARG 84 Cb 0.52 -1.57 -0.03 0.00 0.45 0.00 0.00 32.46 31.83 1nqe n ARG 84 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1nqe s LEU 85 N 0.97 4.37 -0.00 6.15 2.96 -0.37 -4.79 118.68 127.96 1nqe s LEU 85 Ca 0.94 2.59 -0.25 0.00 -0.22 0.00 0.00 54.13 57.20 1nqe s LEU 85 Cb -1.30 -3.59 -0.19 0.00 0.50 0.00 0.00 46.19 41.61 1nqe s LEU 85 CO 0.63 -0.81 1.31 -0.55 -1.32 0.00 0.00 176.35 175.60 1nqe h ASN 86 N 6.83 0.08 -0.82 3.68 -1.07 -1.91 -1.99 115.58 120.38 1nqe h ASN 86 Ca -0.43 -0.46 0.24 0.00 0.07 0.00 0.00 56.30 55.72 1nqe h ASN 86 Cb 1.20 -0.02 -0.03 0.00 -2.07 0.00 0.00 38.32 37.40 1nqe h ASN 86 CO 0.91 0.53 1.01 -0.07 0.07 0.00 0.00 177.43 179.88 1nqe h LEU 87 N -0.37 0.00 -0.00 6.14 3.38 -1.95 0.86 115.31 123.37 1nqe h LEU 87 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1nqe h LEU 87 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1nqe h LEU 87 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1nqe n ALA 88 N -2.23 2.25 0.01 1.53 0.00 -0.75 -4.48 120.51 116.85 1nqe n ALA 88 Ca 0.18 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.41 1nqe n ALA 88 Cb 1.27 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 19.20 1nqe n ALA 88 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nqe h GLY 89 N 4.70 0.05 0.45 0.00 0.00 0.64 0.22 103.07 109.13 1nqe h GLY 89 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1nqe h GLY 89 CO 0.00 0.02 -0.00 -2.08 0.00 0.00 0.00 176.54 174.48 1nqe h VAL 90 N -0.09 1.43 0.00 4.60 2.07 -1.79 -3.29 116.25 119.19 1nqe h VAL 90 Ca 0.01 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1nqe h VAL 90 Cb 0.14 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1nqe h VAL 90 CO -0.00 0.33 -0.09 -1.54 0.02 0.00 0.00 177.57 176.30 1nqe n SER 91 N -4.83 0.58 -2.62 0.57 3.41 -1.23 -4.53 113.62 104.97 1nqe n SER 91 Ca -0.09 0.48 -0.17 0.00 -0.26 0.00 0.00 58.87 58.83 1nqe n SER 91 Cb 0.28 -0.58 0.05 0.00 -0.26 0.00 0.00 64.21 63.70 1nqe n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nqe n GLY 92 N 1.37 -0.16 3.61 5.00 0.00 0.04 -4.93 105.19 110.12 1nqe n GLY 92 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 1nqe n GLY 92 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nqe s SER 93 N -3.10 -0.83 0.04 1.61 0.15 -1.08 -4.71 113.70 105.77 1nqe s SER 93 Ca 0.37 1.24 -0.30 0.00 0.70 0.00 0.00 55.95 57.96 1nqe s SER 93 Cb -0.16 1.60 -0.06 0.00 -1.71 0.00 0.00 66.02 65.68 1nqe s SER 93 CO 0.46 -0.19 1.37 0.00 1.20 0.00 0.00 173.24 176.08 1nqe s ALA 94 N 1.98 3.56 -0.17 5.45 0.00 -1.26 -4.53 121.76 126.79 1nqe s ALA 94 Ca -0.08 0.93 -0.01 0.00 0.00 0.00 0.00 51.96 52.81 1nqe s ALA 94 Cb -0.06 -3.56 0.05 0.00 0.00 0.00 0.00 23.12 19.54 1nqe s ALA 94 CO -0.18 -0.78 -0.03 0.34 0.00 0.00 0.00 175.76 175.12 1nqe s ASP 95 N 1.58 2.90 0.00 0.00 -1.08 -1.26 -4.34 116.67 114.46 1nqe s ASP 95 Ca 0.63 -0.73 0.19 0.00 -0.52 0.00 0.00 52.55 52.13 1nqe s ASP 95 Cb -0.32 -0.84 0.58 0.00 -1.46 0.00 0.00 42.92 40.88 1nqe s ASP 95 CO 0.28 -0.22 1.45 0.18 0.52 0.00 0.00 175.17 177.38 1nqe n LEU 96 N 4.91 2.23 0.28 -1.34 4.77 -1.26 -4.42 117.00 122.17 1nqe n LEU 96 Ca -0.11 -1.00 0.14 0.00 -0.03 0.00 0.00 56.01 55.02 1nqe n LEU 96 Cb 0.47 -0.19 0.83 0.00 -2.33 0.00 0.00 43.42 42.20 1nqe n LEU 96 CO 0.15 0.50 1.04 0.77 -1.33 0.00 0.00 177.39 178.52 1nqe h SER 97 N 2.78 0.00 0.67 -1.43 4.64 -1.91 -1.53 113.55 116.77 1nqe h SER 97 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nqe h SER 97 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1nqe h SER 97 CO 0.00 0.07 -0.83 0.00 -0.87 0.00 0.00 176.83 175.20 1nqe n GLN 98 N -3.65 0.31 -2.66 4.77 1.13 -1.26 -4.05 117.38 111.96 1nqe n GLN 98 Ca -0.02 0.05 -0.42 0.00 -1.94 0.00 0.00 57.00 54.66 1nqe n GLN 98 Cb 0.17 -1.65 -0.03 0.00 0.11 0.00 0.00 30.24 28.85 1nqe n GLN 98 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1nqe s PHE 99 N -3.19 3.51 0.13 1.08 5.36 -0.58 -4.96 117.98 119.33 1nqe s PHE 99 Ca 0.05 1.57 -0.31 0.00 -0.96 0.00 0.00 56.93 57.28 1nqe s PHE 99 Cb 0.14 -3.20 -0.09 0.00 -0.34 0.00 0.00 43.02 39.52 1nqe s PHE 99 CO 0.76 -0.32 1.63 -1.25 -1.46 0.00 0.00 175.22 174.59 1nqe s PRO 100 N 1.75 4.20 0.42 10.12 0.04 -1.26 -4.55 135.00 145.71 1nqe s PRO 100 Ca 0.50 2.38 0.11 0.00 0.04 0.00 0.00 61.00 64.03 1nqe s PRO 100 Cb -0.20 -3.37 0.90 0.00 0.04 0.00 0.00 34.50 31.88 1nqe s PRO 100 CO 0.21 -0.69 1.99 0.97 0.04 0.00 0.00 177.00 179.53 1nqe h ILE 101 N 4.38 1.13 -0.00 0.56 6.09 -1.92 -2.14 117.51 125.61 1nqe h ILE 101 Ca -0.43 -0.51 0.00 0.00 -1.37 0.00 0.00 64.86 62.55 1nqe h ILE 101 Cb 1.20 1.05 -0.00 0.00 0.47 0.00 0.00 36.82 39.54 1nqe h ILE 101 CO 0.93 0.17 0.01 0.00 -3.07 0.00 0.00 178.15 176.19 1nqe h ALA 102 N 1.74 1.05 -0.00 0.18 0.00 -1.96 -0.47 119.26 119.81 1nqe h ALA 102 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nqe h ALA 102 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1nqe h ALA 102 CO 0.01 -0.02 -0.43 1.28 0.00 0.00 0.00 179.25 180.10 1nqe n LEU 103 N -3.12 0.55 -4.61 0.00 4.32 -0.80 -4.85 117.00 108.48 1nqe n LEU 103 Ca -0.03 -0.01 -0.42 0.00 -0.02 0.00 0.00 56.01 55.53 1nqe n LEU 103 Cb 0.08 -0.24 -0.04 0.00 -1.62 0.00 0.00 43.42 41.60 1nqe n LEU 103 CO 0.20 0.13 0.72 -0.69 -1.22 0.00 0.00 177.39 176.53 1nqe s VAL 104 N -2.91 4.65 -0.04 4.08 1.01 -0.19 -4.30 120.40 122.71 1nqe s VAL 104 Ca 0.14 1.25 0.16 0.00 0.00 0.00 0.00 61.98 63.53 1nqe s VAL 104 Cb 0.18 -4.28 -0.25 0.00 0.00 0.00 0.00 36.38 32.03 1nqe s VAL 104 CO 0.66 -0.42 0.33 0.00 0.00 0.00 0.00 175.10 175.67 1nqe n GLN 105 N 6.57 0.60 -3.60 2.72 1.13 0.02 -4.80 117.38 120.02 1nqe n GLN 105 Ca 0.06 -0.14 -0.13 0.00 -1.94 0.00 0.00 57.00 54.85 1nqe n GLN 105 Cb 0.48 -1.39 -0.06 0.00 0.11 0.00 0.00 30.24 29.37 1nqe n GLN 105 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1nqe s ARG 106 N -3.07 0.78 -0.09 -1.09 3.52 -0.95 -1.99 118.95 116.05 1nqe s ARG 106 Ca -0.06 0.60 0.04 0.00 -0.13 0.00 0.00 55.73 56.18 1nqe s ARG 106 Cb 0.10 0.37 0.00 0.00 -1.56 0.00 0.00 34.95 33.87 1nqe s ARG 106 CO 0.68 -0.16 -0.22 0.08 -0.81 0.00 0.00 175.30 174.88 1nqe s VAL 107 N -0.25 1.88 -0.15 7.11 1.01 -0.18 -0.52 120.40 129.30 1nqe s VAL 107 Ca -0.02 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1nqe s VAL 107 Cb -0.03 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1nqe s VAL 107 CO 0.02 0.52 -0.19 -1.61 0.00 0.00 0.00 175.10 173.84 1nqe s GLU 108 N 0.40 3.13 -0.09 2.72 2.02 0.06 -0.92 118.70 126.02 1nqe s GLU 108 Ca -0.18 -0.80 -0.00 0.00 0.02 0.00 0.00 54.97 54.01 1nqe s GLU 108 Cb -0.18 -2.53 0.02 0.00 0.10 0.00 0.00 34.13 31.55 1nqe s GLU 108 CO 0.08 0.01 -0.06 -0.47 0.02 0.00 0.00 175.26 174.85 1nqe s TYR 109 N 0.79 1.20 -0.12 1.61 5.04 -0.28 -0.79 117.35 124.80 1nqe s TYR 109 Ca -0.07 -0.52 0.01 0.00 -2.44 0.00 0.00 57.07 54.05 1nqe s TYR 109 Cb -0.16 -1.05 0.02 0.00 0.35 0.00 0.00 41.96 41.12 1nqe s TYR 109 CO -0.00 -0.41 -0.14 0.42 -1.34 0.00 0.00 175.55 174.08 1nqe s ILE 110 N 1.60 1.42 0.34 3.14 1.01 -0.15 -0.49 121.20 128.07 1nqe s ILE 110 Ca 0.02 -0.58 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 1nqe s ILE 110 Cb -0.13 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 1nqe s ILE 110 CO -0.05 0.43 0.57 -0.13 0.00 0.00 0.00 174.94 175.75 1nqe s ARG 111 N 1.20 3.54 0.00 2.79 0.52 -0.68 -0.55 118.95 125.76 1nqe s ARG 111 Ca -0.03 -0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 1nqe s ARG 111 Cb -0.14 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.69 1nqe s ARG 111 CO -0.05 0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.83 1nqe n GLY 112 N -1.50 -0.04 3.76 -3.53 0.00 -0.25 -4.37 105.19 99.25 1nqe n GLY 112 Ca -0.03 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 1nqe n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nqe s PRO 113 N -1.55 2.75 0.00 1.61 0.04 -1.18 -3.40 135.00 133.26 1nqe s PRO 113 Ca 0.00 1.59 0.02 0.00 0.04 0.00 0.00 61.00 62.65 1nqe s PRO 113 Cb 0.00 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.64 1nqe s PRO 113 CO 0.00 -1.33 0.77 -2.13 0.04 0.00 0.00 177.00 174.36 1nqe n ARG 114 N -2.19 0.00 -0.28 4.56 0.63 -0.45 -4.92 116.66 114.02 1nqe n ARG 114 Ca 0.12 -0.59 0.11 0.00 -0.92 0.00 0.00 57.85 56.57 1nqe n ARG 114 Cb 0.51 0.14 0.36 0.00 0.45 0.00 0.00 32.46 33.92 1nqe n ARG 114 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1nqe h SER 115 N 0.07 0.69 0.10 6.15 0.02 -1.70 -0.21 113.55 118.67 1nqe h SER 115 Ca -0.23 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1nqe h SER 115 Cb 1.25 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1nqe h SER 115 CO -0.10 0.35 0.00 0.00 -1.14 0.00 0.00 176.83 175.94 1nqe n ALA 116 N -2.42 1.13 -0.08 3.77 0.00 -1.26 -0.19 120.51 121.45 1nqe n ALA 116 Ca 0.17 0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.57 1nqe n ALA 116 Cb 0.45 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 1nqe n ALA 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1nqe n VAL 117 N -1.98 0.90 0.69 0.00 0.31 -0.90 -3.57 118.33 113.78 1nqe n VAL 117 Ca -0.00 -0.27 0.07 0.00 -0.01 0.00 0.00 64.34 64.13 1nqe n VAL 117 Cb 0.05 -1.50 -0.07 0.00 -0.91 0.00 0.00 33.84 31.41 1nqe n VAL 117 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1nqe n TYR 118 N -3.48 0.00 -2.87 3.52 4.02 -0.14 -4.96 117.16 113.25 1nqe n TYR 118 Ca -0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.58 1nqe n TYR 118 Cb 0.75 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.07 1nqe n TYR 118 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nqe n GLY 119 N 1.31 0.47 3.78 2.72 0.00 0.73 -4.97 105.19 109.22 1nqe n GLY 119 Ca 0.03 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 1nqe n GLY 119 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nqe s SER 120 N -4.00 6.31 0.00 1.61 0.15 -1.26 -3.81 113.70 112.70 1nqe s SER 120 Ca 0.00 3.06 0.00 0.00 0.70 0.00 0.00 55.95 59.71 1nqe s SER 120 Cb 0.00 -2.67 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1nqe s SER 120 CO 0.00 -0.90 0.00 0.47 1.20 0.00 0.00 173.24 174.01 1nqe n ASP 121 N 0.42 0.00 -3.63 5.45 8.00 -0.03 -4.87 116.55 121.89 1nqe n ASP 121 Ca 0.01 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.10 1nqe n ASP 121 Cb 0.39 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.49 1nqe n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nqe n ALA 122 N -1.93 6.08 -0.03 2.24 0.00 -1.25 -2.55 120.51 123.07 1nqe n ALA 122 Ca 0.00 -3.86 -0.04 0.00 0.00 0.00 0.00 53.44 49.55 1nqe n ALA 122 Cb 0.00 -3.40 -0.01 0.00 0.00 0.00 0.00 19.45 16.04 1nqe n ALA 122 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1nqe n ILE 123 N 4.37 0.75 -0.06 0.00 5.41 -1.07 -1.33 119.36 127.42 1nqe n ILE 123 Ca 0.58 0.30 -0.04 0.00 1.00 0.00 0.00 62.75 64.58 1nqe n ILE 123 Cb 0.34 -1.82 0.17 0.00 -0.71 0.00 0.00 39.64 37.62 1nqe n ILE 123 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1nqe h GLY 124 N -0.42 0.72 0.00 7.39 0.00 -1.25 -3.14 103.07 106.37 1nqe h GLY 124 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1nqe h GLY 124 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 176.54 177.64 1nqe n GLY 125 N -0.51 -1.61 3.01 4.60 0.00 -1.22 -1.09 105.19 108.36 1nqe n GLY 125 Ca 0.01 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 1nqe n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqe s VAL 126 N -2.54 1.07 -0.23 1.61 1.01 0.28 -2.21 120.40 119.40 1nqe s VAL 126 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1nqe s VAL 126 Cb 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.41 1nqe s VAL 126 CO 0.00 0.34 -0.10 -0.69 0.00 0.00 0.00 175.10 174.65 1nqe s VAL 127 N 0.68 2.71 -0.33 2.92 1.01 -0.03 -0.98 120.40 126.39 1nqe s VAL 127 Ca -0.14 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 60.87 1nqe s VAL 127 Cb -0.16 -2.31 0.06 0.00 0.00 0.00 0.00 36.38 33.98 1nqe s VAL 127 CO 0.03 0.31 0.05 0.21 0.00 0.00 0.00 175.10 175.71 1nqe s ASN 128 N 1.33 5.00 -0.31 3.32 2.47 0.03 -0.76 114.94 126.02 1nqe s ASN 128 Ca 0.02 -1.44 -0.20 0.00 0.42 0.00 0.00 52.86 51.65 1nqe s ASN 128 Cb -0.15 -1.75 -0.01 0.00 -1.45 0.00 0.00 41.25 37.89 1nqe s ASN 128 CO -0.06 -0.33 0.64 -0.63 -3.72 0.00 0.00 177.10 173.00 1nqe s ILE 129 N 1.23 4.92 -0.16 -5.21 1.01 -0.12 -0.76 121.20 122.11 1nqe s ILE 129 Ca -0.02 0.84 -0.06 0.00 0.00 0.00 0.00 60.65 61.41 1nqe s ILE 129 Cb -0.20 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1nqe s ILE 129 CO -0.02 -0.17 0.06 -0.63 0.00 0.00 0.00 174.94 174.19 1nqe s ILE 130 N 2.64 4.80 -1.97 2.92 1.01 0.32 -0.15 121.20 130.77 1nqe s ILE 130 Ca 0.25 -0.04 0.16 0.00 0.00 0.00 0.00 60.65 61.03 1nqe s ILE 130 Cb -0.15 -3.13 0.12 0.00 0.01 0.00 0.00 42.46 39.31 1nqe s ILE 130 CO 0.12 0.51 1.00 0.35 0.00 0.00 0.00 174.94 176.92 1nqe n THR 131 N 3.08 0.00 -3.55 2.92 -2.24 -1.26 -0.80 114.28 112.43 1nqe n THR 131 Ca -0.17 -0.49 -0.36 0.00 -2.27 0.00 0.00 64.05 60.76 1nqe n THR 131 Cb 0.53 1.33 -0.06 0.00 -2.10 0.00 0.00 70.33 70.03 1nqe n THR 131 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1nqe s THR 132 N -1.36 5.08 0.06 4.28 2.01 -1.26 -4.71 115.64 119.73 1nqe s THR 132 Ca 0.18 0.57 0.01 0.00 0.31 0.00 0.00 61.69 62.77 1nqe s THR 132 Cb 0.13 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 1nqe s THR 132 CO 0.21 0.38 -0.05 0.00 -0.69 0.00 0.00 174.62 174.47 1nqe s ARG 133 N -1.65 0.62 -0.46 4.92 1.70 -1.26 -4.81 118.95 118.02 1nqe s ARG 133 Ca 0.30 -1.06 -0.03 0.00 -0.47 0.00 0.00 55.73 54.47 1nqe s ARG 133 Cb -0.15 -0.07 0.12 0.00 -0.57 0.00 0.00 34.95 34.28 1nqe s ARG 133 CO 0.16 -0.03 0.26 0.34 -1.08 0.00 0.00 175.30 174.96 1nqe s ASP 134 N -2.41 5.28 -0.51 -2.89 -1.08 -1.26 -4.99 116.67 108.80 1nqe s ASP 134 Ca 0.01 -2.20 0.07 0.00 -0.52 0.00 0.00 52.55 49.91 1nqe s ASP 134 Cb -0.00 -1.85 0.19 0.00 -1.46 0.00 0.00 42.92 39.80 1nqe s ASP 134 CO -0.04 -0.52 0.74 -0.70 0.52 0.00 0.00 175.17 175.17 1nqe s GLU 135 N 0.91 1.05 0.49 4.34 2.56 -1.26 -5.15 118.70 121.63 1nqe s GLU 135 Ca 0.10 -1.03 -0.22 0.00 0.00 0.00 0.00 54.97 53.82 1nqe s GLU 135 Cb -0.22 -0.05 -0.09 0.00 2.00 0.00 0.00 34.13 35.77 1nqe s GLU 135 CO -0.04 -1.30 0.98 -2.30 -0.56 0.00 0.00 175.26 172.05 1nqe n PRO 136 N 2.97 1.20 0.00 4.30 -0.02 -1.26 -4.67 135.00 137.52 1nqe n PRO 136 Ca 0.18 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1nqe n PRO 136 Cb 0.56 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1nqe n PRO 136 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nqe n GLY 137 N 1.23 0.99 3.14 -1.23 0.00 -0.43 -4.94 105.19 103.95 1nqe n GLY 137 Ca 0.11 -2.23 -0.20 0.00 0.00 0.00 0.00 46.02 43.70 1nqe n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nqe s THR 138 N -1.04 1.11 -0.01 2.61 -4.23 -1.23 -0.69 115.64 112.16 1nqe s THR 138 Ca 0.00 -1.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.53 1nqe s THR 138 Cb 0.00 -1.01 -0.00 0.00 1.34 0.00 0.00 72.50 72.83 1nqe s THR 138 CO 0.00 -0.01 -0.10 -0.70 -0.54 0.00 0.00 174.62 173.27 1nqe s GLU 139 N -1.17 0.86 -0.05 3.99 2.12 0.24 -1.64 118.70 123.06 1nqe s GLU 139 Ca 0.01 -0.34 0.06 0.00 0.36 0.00 0.00 54.97 55.06 1nqe s GLU 139 Cb -0.08 -0.82 -0.01 0.00 0.26 0.00 0.00 34.13 33.48 1nqe s GLU 139 CO 0.01 0.18 -0.23 0.42 -0.54 0.00 0.00 175.26 175.10 1nqe s ILE 140 N -0.09 1.90 0.15 -3.70 1.01 -0.21 -1.63 121.20 118.63 1nqe s ILE 140 Ca 0.01 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.55 1nqe s ILE 140 Cb -0.05 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.82 1nqe s ILE 140 CO -0.00 0.53 0.34 -0.94 0.00 0.00 0.00 174.94 174.87 1nqe s SER 141 N -0.22 -0.06 -0.04 3.58 1.04 -0.57 -0.18 113.70 117.27 1nqe s SER 141 Ca -0.01 -0.64 -0.30 0.00 0.48 0.00 0.00 55.95 55.48 1nqe s SER 141 Cb -0.12 0.45 0.11 0.00 0.10 0.00 0.00 66.02 66.56 1nqe s SER 141 CO 0.02 -0.89 1.03 0.00 0.98 0.00 0.00 173.24 174.39 1nqe s ALA 142 N -3.90 -1.91 0.20 5.32 0.00 -0.79 -1.62 121.76 119.06 1nqe s ALA 142 Ca 0.10 1.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.94 1nqe s ALA 142 Cb 0.02 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.45 1nqe s ALA 142 CO -0.05 -0.75 0.45 0.20 0.00 0.00 0.00 175.76 175.61 1nqe s GLY 143 N -2.51 0.20 -0.01 0.00 0.00 -0.23 -1.12 107.32 103.65 1nqe s GLY 143 Ca 0.08 -0.55 -0.02 0.00 0.00 0.00 0.00 44.72 44.23 1nqe s GLY 143 CO -0.06 -0.50 0.04 0.86 0.00 0.00 0.00 173.10 173.44 1nqe s TRP 144 N -3.93 0.02 0.26 1.90 -0.11 0.01 -1.63 118.94 115.46 1nqe s TRP 144 Ca 0.14 -0.03 -0.08 0.00 1.22 0.00 0.00 56.10 57.36 1nqe s TRP 144 Cb 0.00 -0.03 0.03 0.00 -1.50 0.00 0.00 33.47 31.97 1nqe s TRP 144 CO 0.01 -0.08 0.48 0.41 -4.62 0.00 0.00 176.95 173.14 1nqe n GLY 145 N 2.62 1.63 3.65 5.86 0.00 -0.71 -0.84 105.19 117.39 1nqe n GLY 145 Ca -0.15 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 1nqe n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nqe s SER 146 N -2.42 6.40 0.00 1.61 0.01 -0.13 -2.88 113.70 116.28 1nqe s SER 146 Ca 0.13 2.38 0.00 0.00 1.31 0.00 0.00 55.95 59.77 1nqe s SER 146 Cb -0.03 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1nqe s SER 146 CO 0.10 -1.13 0.00 0.59 0.41 0.00 0.00 173.24 173.20 1nqe n ASN 147 N 7.95 0.00 -1.82 2.44 5.03 -1.26 -4.21 115.26 123.39 1nqe n ASN 147 Ca 0.20 0.00 -0.17 0.00 0.87 0.00 0.00 54.58 55.48 1nqe n ASN 147 Cb 0.42 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.17 1nqe n ASN 147 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1nqe n SER 148 N 0.00 -4.97 -4.73 6.41 3.41 -1.14 -1.86 113.62 110.74 1nqe n SER 148 Ca 0.00 0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.24 1nqe n SER 148 Cb 0.00 -4.06 -0.02 0.00 -0.26 0.00 0.00 64.21 59.87 1nqe n SER 148 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1nqe s TYR 149 N -2.81 2.82 -0.08 7.33 5.04 -1.18 -4.43 117.35 124.04 1nqe s TYR 149 Ca 0.00 0.53 -0.10 0.00 -2.44 0.00 0.00 57.07 55.06 1nqe s TYR 149 Cb 0.00 -4.12 0.02 0.00 0.35 0.00 0.00 41.96 38.21 1nqe s TYR 149 CO 0.00 -4.04 0.27 -1.14 -1.34 0.00 0.00 175.55 169.30 1nqe s GLN 150 N 0.39 0.39 -0.11 4.97 0.74 0.00 -1.74 119.66 124.30 1nqe s GLN 150 Ca 0.70 0.22 -0.12 0.00 0.05 0.00 0.00 55.36 56.21 1nqe s GLN 150 Cb -0.49 0.18 0.03 0.00 1.10 0.00 0.00 33.01 33.83 1nqe s GLN 150 CO 0.40 -0.07 0.32 1.21 -0.55 0.00 0.00 175.29 176.60 1nqe s ASN 151 N -0.22 -0.32 0.07 6.67 3.84 -0.64 -1.16 114.94 123.18 1nqe s ASN 151 Ca -0.03 0.57 -0.11 0.00 0.21 0.00 0.00 52.86 53.49 1nqe s ASN 151 Cb -0.03 0.61 0.01 0.00 -0.55 0.00 0.00 41.25 41.29 1nqe s ASN 151 CO 0.01 -0.17 0.24 -0.72 -2.79 0.00 0.00 177.10 173.68 1nqe s TYR 152 N -0.06 0.03 -0.29 0.43 -0.85 -0.93 -1.07 117.35 114.61 1nqe s TYR 152 Ca -0.02 -0.33 -0.18 0.00 -0.52 0.00 0.00 57.07 56.02 1nqe s TYR 152 Cb -0.03 0.02 0.13 0.00 0.38 0.00 0.00 41.96 42.46 1nqe s TYR 152 CO 0.01 -0.53 0.93 0.34 -1.52 0.00 0.00 175.55 174.79 1nqe s ASP 153 N -2.48 -0.57 -0.04 -0.18 -1.08 -0.64 -0.93 116.67 110.75 1nqe s ASP 153 Ca 0.00 0.96 0.04 0.00 -0.52 0.00 0.00 52.55 53.03 1nqe s ASP 153 Cb 0.02 1.17 -0.00 0.00 -1.46 0.00 0.00 42.92 42.65 1nqe s ASP 153 CO -0.08 -0.15 -0.17 -0.69 0.52 0.00 0.00 175.17 174.60 1nqe s VAL 154 N 1.13 1.38 -0.07 1.11 1.01 -0.47 -1.51 120.40 122.98 1nqe s VAL 154 Ca -0.06 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 1nqe s VAL 154 Cb -0.04 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.17 1nqe s VAL 154 CO -0.14 0.40 0.22 -0.55 0.00 0.00 0.00 175.10 175.03 1nqe s SER 155 N -0.03 -0.20 -0.18 3.32 0.15 -0.65 -0.99 113.70 115.12 1nqe s SER 155 Ca -0.02 0.36 -0.13 0.00 0.70 0.00 0.00 55.95 56.86 1nqe s SER 155 Cb -0.10 0.42 0.05 0.00 -1.71 0.00 0.00 66.02 64.68 1nqe s SER 155 CO 0.02 -0.13 0.45 0.28 1.20 0.00 0.00 173.24 175.06 1nqe s THR 156 N -0.13 -0.01 -0.12 6.45 -1.32 0.35 -0.59 115.64 120.27 1nqe s THR 156 Ca -0.02 0.04 0.01 0.00 -1.21 0.00 0.00 61.69 60.51 1nqe s THR 156 Cb -0.02 -0.65 0.02 0.00 -1.51 0.00 0.00 72.50 70.34 1nqe s THR 156 CO 0.01 0.02 -0.14 -1.58 -2.21 0.00 0.00 174.62 170.71 1nqe s GLN 157 N 0.78 2.18 0.09 7.08 0.74 0.14 -0.03 119.66 130.64 1nqe s GLN 157 Ca -0.04 -0.54 -0.01 0.00 0.05 0.00 0.00 55.36 54.82 1nqe s GLN 157 Cb -0.05 -1.91 -0.04 0.00 1.10 0.00 0.00 33.01 32.10 1nqe s GLN 157 CO -0.06 -0.12 0.01 -0.65 -0.55 0.00 0.00 175.29 173.92 1nqe s GLN 158 N 1.16 0.78 -0.14 1.67 -0.21 -0.57 -1.31 119.66 121.02 1nqe s GLN 158 Ca -0.03 -1.33 -0.23 0.00 0.02 0.00 0.00 55.36 53.79 1nqe s GLN 158 Cb -0.14 0.20 -0.03 0.00 1.00 0.00 0.00 33.01 34.04 1nqe s GLN 158 CO -0.04 -0.18 0.70 -0.65 -2.12 0.00 0.00 175.29 173.00 1nqe s GLN 159 N -3.98 4.31 -0.93 2.91 -1.52 -1.26 -1.04 119.66 118.15 1nqe s GLN 159 Ca 0.16 0.80 -0.00 0.00 -1.95 0.00 0.00 55.36 54.36 1nqe s GLN 159 Cb 0.08 -3.53 0.30 0.00 -0.22 0.00 0.00 33.01 29.64 1nqe s GLN 159 CO -0.04 -0.15 1.33 1.28 -0.25 0.00 0.00 175.29 177.46 1nqe n LEU 160 N 4.64 5.82 0.00 2.90 7.99 -0.15 -4.96 117.00 133.24 1nqe n LEU 160 Ca 0.00 -5.34 0.00 0.00 -0.01 0.00 0.00 56.01 50.66 1nqe n LEU 160 Cb 0.50 -1.05 0.00 0.00 -0.11 0.00 0.00 43.42 42.76 1nqe n LEU 160 CO 0.46 1.90 0.00 0.61 -1.51 0.00 0.00 177.39 178.85 1nqe n GLY 161 N 0.83 -2.18 3.77 -0.72 0.00 -1.26 -4.47 105.19 101.16 1nqe n GLY 161 Ca 0.31 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 1nqe n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nqe s ASP 162 N -3.44 6.16 0.00 1.61 1.01 -1.26 -3.79 116.67 116.97 1nqe s ASP 162 Ca 0.00 2.22 0.00 0.00 0.71 0.00 0.00 52.55 55.48 1nqe s ASP 162 Cb 0.00 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1nqe s ASP 162 CO 0.00 -0.92 0.00 0.29 0.21 0.00 0.00 175.17 174.75 1nqe n LYS 163 N -0.64 0.00 -4.78 8.23 5.02 -1.26 -4.94 118.16 119.79 1nqe n LYS 163 Ca 0.08 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.04 1nqe n LYS 163 Cb 0.49 -0.94 -0.14 0.00 -0.02 0.00 0.00 35.03 34.42 1nqe n LYS 163 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1nqe s THR 164 N -0.30 3.11 0.00 -0.18 2.01 -1.25 -0.14 115.64 118.89 1nqe s THR 164 Ca 0.00 -0.65 0.05 0.00 0.31 0.00 0.00 61.69 61.40 1nqe s THR 164 Cb 0.00 -2.29 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 1nqe s THR 164 CO 0.00 0.54 -0.17 0.00 -0.69 0.00 0.00 174.62 174.30 1nqe s ARG 165 N 0.11 1.32 0.06 4.92 1.70 0.27 -0.97 118.95 126.35 1nqe s ARG 165 Ca -0.06 -0.67 0.06 0.00 -0.47 0.00 0.00 55.73 54.59 1nqe s ARG 165 Cb -0.15 -1.31 -0.04 0.00 -0.57 0.00 0.00 34.95 32.89 1nqe s ARG 165 CO 0.04 0.35 -0.11 0.08 -1.08 0.00 0.00 175.30 174.58 1nqe s VAL 166 N -0.51 3.29 -0.03 4.99 1.01 -0.21 -1.00 120.40 127.94 1nqe s VAL 166 Ca 0.06 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1nqe s VAL 166 Cb -0.07 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.85 1nqe s VAL 166 CO -0.00 0.26 -0.09 -0.89 0.00 0.00 0.00 175.10 174.38 1nqe s THR 167 N -1.06 0.80 -0.01 3.92 2.01 -0.13 -1.51 115.64 119.64 1nqe s THR 167 Ca 0.18 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.84 1nqe s THR 167 Cb -0.11 -0.73 0.01 0.00 0.01 0.00 0.00 72.50 71.69 1nqe s THR 167 CO 0.09 0.26 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.51 1nqe s LEU 168 N 0.32 1.63 -0.04 4.42 1.43 0.95 -1.55 118.68 125.84 1nqe s LEU 168 Ca -0.05 -0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1nqe s LEU 168 Cb -0.10 -0.18 0.01 0.00 0.03 0.00 0.00 46.19 45.95 1nqe s LEU 168 CO 0.01 -0.03 0.10 -0.22 0.23 0.00 0.00 176.35 176.44 1nqe s LEU 169 N 0.41 1.53 -0.00 1.79 1.98 0.08 -0.50 118.68 123.98 1nqe s LEU 169 Ca -0.04 0.19 0.04 0.00 -2.89 0.00 0.00 54.13 51.43 1nqe s LEU 169 Cb -0.07 0.31 -0.01 0.00 0.66 0.00 0.00 46.19 47.08 1nqe s LEU 169 CO -0.01 -0.05 -0.13 -0.83 -1.89 0.00 0.00 176.35 173.45 1nqe s GLY 170 N 0.20 0.65 -0.09 7.98 0.00 -0.16 -1.11 107.32 114.78 1nqe s GLY 170 Ca -0.01 -0.59 -0.08 0.00 0.00 0.00 0.00 44.72 44.04 1nqe s GLY 170 CO -0.01 -0.50 0.24 -0.35 0.00 0.00 0.00 173.10 172.48 1nqe s ASP 171 N -0.42 -0.25 -0.11 1.64 2.15 -0.57 -1.37 116.67 117.74 1nqe s ASP 171 Ca 0.04 0.49 0.03 0.00 0.43 0.00 0.00 52.55 53.54 1nqe s ASP 171 Cb -0.05 0.50 0.01 0.00 -0.30 0.00 0.00 42.92 43.07 1nqe s ASP 171 CO -0.00 -0.09 -0.18 -0.47 -0.17 0.00 0.00 175.17 174.26 1nqe s TYR 172 N 0.15 2.18 -0.02 -5.34 5.04 -0.11 -1.16 117.35 118.09 1nqe s TYR 172 Ca -0.00 -0.98 0.01 0.00 -2.44 0.00 0.00 57.07 53.66 1nqe s TYR 172 Cb -0.02 -1.52 0.01 0.00 0.35 0.00 0.00 41.96 40.78 1nqe s TYR 172 CO 0.00 -0.46 -0.04 0.00 -1.34 0.00 0.00 175.55 173.71 1nqe s ALA 173 N 0.73 0.49 -0.06 3.97 0.00 -0.25 -2.20 121.76 124.44 1nqe s ALA 173 Ca -0.11 -0.10 -0.06 0.00 0.00 0.00 0.00 51.96 51.69 1nqe s ALA 173 Cb -0.16 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1nqe s ALA 173 CO 0.02 0.04 0.17 -1.58 0.00 0.00 0.00 175.76 174.41 1nqe s HIS 174 N 0.42 -0.18 0.02 0.00 5.04 -0.31 -0.45 115.29 119.82 1nqe s HIS 174 Ca -0.05 0.44 -0.07 0.00 -1.54 0.00 0.00 55.06 53.84 1nqe s HIS 174 Cb -0.08 0.06 -0.00 0.00 0.04 0.00 0.00 32.58 32.60 1nqe s HIS 174 CO -0.00 -0.09 0.14 -0.08 -2.34 0.00 0.00 174.74 172.36 1nqe s THR 175 N 0.05 0.10 0.55 0.89 -1.32 -0.25 -0.82 115.64 114.84 1nqe s THR 175 Ca -0.00 -0.81 0.07 0.00 -1.21 0.00 0.00 61.69 59.74 1nqe s THR 175 Cb -0.01 -0.60 0.05 0.00 -1.51 0.00 0.00 72.50 70.43 1nqe s THR 175 CO 0.00 -0.44 0.54 -1.00 -2.21 0.00 0.00 174.62 171.51 1nqe s HIS 176 N -1.81 1.60 -1.71 9.09 3.76 -0.77 -1.15 115.29 124.29 1nqe s HIS 176 Ca -0.11 -0.79 0.12 0.00 -0.15 0.00 0.00 55.06 54.13 1nqe s HIS 176 Cb -0.05 -2.03 0.65 0.00 1.11 0.00 0.00 32.58 32.26 1nqe s HIS 176 CO -0.00 -0.70 1.22 0.41 -0.85 0.00 0.00 174.74 174.81 1nqe n GLY 177 N -1.92 -0.53 0.00 -2.22 0.00 -1.26 -4.80 105.19 94.45 1nqe n GLY 177 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1nqe n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nqe n GLY 196 N -0.27 -0.14 2.96 -0.02 0.00 -1.25 -5.12 105.19 101.35 1nqe n GLY 196 Ca 0.07 0.57 -0.24 0.00 0.00 0.00 0.00 46.02 46.42 1nqe n GLY 196 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nqe s PHE 197 N 2.47 1.31 -0.09 1.61 5.99 -0.30 -1.22 117.98 127.75 1nqe s PHE 197 Ca 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 56.93 56.42 1nqe s PHE 197 Cb 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 43.02 42.00 1nqe s PHE 197 CO 0.00 -0.33 -0.11 -1.17 -0.00 0.00 0.00 175.22 173.61 1nqe s LEU 198 N 1.04 1.52 -0.07 6.12 1.98 -0.08 -1.09 118.68 128.10 1nqe s LEU 198 Ca -0.08 -0.33 0.00 0.00 -2.89 0.00 0.00 54.13 50.83 1nqe s LEU 198 Cb -0.15 -0.90 0.02 0.00 0.66 0.00 0.00 46.19 45.83 1nqe s LEU 198 CO -0.01 -0.02 -0.05 -0.55 -1.89 0.00 0.00 176.35 173.84 1nqe s SER 199 N 1.09 1.48 -0.04 3.68 0.15 0.41 -0.58 113.70 119.88 1nqe s SER 199 Ca -0.06 -0.17 0.05 0.00 0.70 0.00 0.00 55.95 56.46 1nqe s SER 199 Cb -0.14 -0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 63.58 1nqe s SER 199 CO -0.02 -0.09 -0.18 -0.54 1.20 0.00 0.00 173.24 173.61 1nqe s LYS 200 N 1.33 1.85 0.01 5.44 1.02 -0.75 -1.09 119.74 127.55 1nqe s LYS 200 Ca -0.04 -0.66 0.02 0.00 0.02 0.00 0.00 55.97 55.31 1nqe s LYS 200 Cb -0.14 -1.62 -0.01 0.00 -0.52 0.00 0.00 37.83 35.54 1nqe s LYS 200 CO -0.03 0.28 -0.06 0.99 -0.92 0.00 0.00 175.35 175.62 1nqe s THR 201 N -0.05 0.46 0.02 2.17 2.01 -0.31 -0.92 115.64 119.02 1nqe s THR 201 Ca -0.02 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 61.60 1nqe s THR 201 Cb -0.11 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 1nqe s THR 201 CO 0.02 0.02 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.64 1nqe s LEU 202 N -0.43 2.13 -0.10 4.42 2.96 -0.67 -1.52 118.68 125.47 1nqe s LEU 202 Ca -0.00 -0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 53.48 1nqe s LEU 202 Cb -0.04 -0.46 0.04 0.00 0.50 0.00 0.00 46.19 46.24 1nqe s LEU 202 CO -0.00 0.01 0.25 -0.47 -1.32 0.00 0.00 176.35 174.81 1nqe s TYR 203 N -0.73 -0.32 0.01 5.38 5.04 -0.27 -1.72 117.35 124.75 1nqe s TYR 203 Ca -0.00 0.77 0.02 0.00 -2.44 0.00 0.00 57.07 55.42 1nqe s TYR 203 Cb -0.07 0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.28 1nqe s TYR 203 CO 0.01 -0.22 -0.08 0.20 -1.34 0.00 0.00 175.55 174.11 1nqe s GLY 204 N 1.14 0.43 -0.04 8.97 0.00 -0.29 -0.74 107.32 116.79 1nqe s GLY 204 Ca -0.08 -0.47 -0.06 0.00 0.00 0.00 0.00 44.72 44.11 1nqe s GLY 204 CO -0.08 -0.44 0.14 0.00 0.00 0.00 0.00 173.10 172.72 1nqe s ALA 205 N -0.52 -0.34 -0.11 3.20 0.00 -0.60 -1.01 121.76 122.37 1nqe s ALA 205 Ca -0.00 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1nqe s ALA 205 Cb -0.05 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1nqe s ALA 205 CO 0.00 -0.11 -0.17 -1.17 0.00 0.00 0.00 175.76 174.31 1nqe s LEU 206 N -0.37 1.83 -0.08 0.00 2.96 0.49 -0.96 118.68 122.56 1nqe s LEU 206 Ca -0.05 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.42 1nqe s LEU 206 Cb -0.03 -1.18 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 1nqe s LEU 206 CO 0.01 0.04 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.30 1nqe s GLU 207 N 0.90 2.82 -0.07 1.98 8.01 -0.17 -0.49 118.70 131.67 1nqe s GLU 207 Ca -0.08 -0.73 0.00 0.00 0.01 0.00 0.00 54.97 54.17 1nqe s GLU 207 Cb -0.15 -2.42 0.02 0.00 -4.31 0.00 0.00 34.13 27.27 1nqe s GLU 207 CO -0.01 0.43 -0.04 -1.58 0.01 0.00 0.00 175.26 174.07 1nqe s HIS 208 N -0.24 0.93 -0.47 1.61 2.46 0.63 -0.57 115.29 119.63 1nqe s HIS 208 Ca 0.01 -0.33 -0.21 0.00 0.47 0.00 0.00 55.06 55.00 1nqe s HIS 208 Cb -0.13 -0.86 0.04 0.00 -0.13 0.00 0.00 32.58 31.50 1nqe s HIS 208 CO 0.03 -0.31 0.67 -0.80 -2.47 0.00 0.00 174.74 171.86 1nqe s ASN 209 N 1.41 6.29 0.27 9.88 0.01 0.80 0.15 114.94 133.75 1nqe s ASN 209 Ca -0.03 -0.54 0.01 0.00 -0.71 0.00 0.00 52.86 51.60 1nqe s ASN 209 Cb -0.13 -2.32 0.37 0.00 0.41 0.00 0.00 41.25 39.57 1nqe s ASN 209 CO -0.03 -0.87 1.70 -0.26 -1.51 0.00 0.00 177.10 176.13 1nqe h PHE 210 N 8.97 0.59 -2.09 2.20 -1.00 -1.54 -3.44 116.94 120.62 1nqe h PHE 210 Ca -0.26 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 60.38 1nqe h PHE 210 Cb 1.09 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 40.51 1nqe h PHE 210 CO 0.76 0.73 0.00 0.25 -1.61 0.00 0.00 178.31 178.44 1nqe n THR 211 N -4.11 0.00 -0.18 -1.55 -2.24 -1.11 -4.99 114.28 100.10 1nqe n THR 211 Ca -0.00 -0.09 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 1nqe n THR 211 Cb 0.42 0.06 0.09 0.00 -2.10 0.00 0.00 70.33 68.80 1nqe n THR 211 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1nqe n ASP 212 N -1.62 3.48 0.00 3.42 3.85 -1.26 -3.81 116.55 120.61 1nqe n ASP 212 Ca -0.00 -2.84 0.00 0.00 -0.71 0.00 0.00 54.79 51.24 1nqe n ASP 212 Cb 0.04 -0.69 0.00 0.00 -1.35 0.00 0.00 41.12 39.12 1nqe n ASP 212 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1nqe n ALA 213 N -0.33 0.49 -2.69 2.12 0.00 -1.26 -4.96 120.51 113.87 1nqe n ALA 213 Ca 0.31 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.37 1nqe n ALA 213 Cb 1.09 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.47 1nqe n ALA 213 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1nqe s TRP 214 N -1.00 3.42 0.14 0.00 0.52 -1.25 -0.17 118.94 120.60 1nqe s TRP 214 Ca 0.00 0.67 0.07 0.00 0.02 0.00 0.00 56.10 56.85 1nqe s TRP 214 Cb 0.00 -2.49 -0.04 0.00 -1.15 0.00 0.00 33.47 29.79 1nqe s TRP 214 CO 0.00 0.08 -0.15 -1.12 0.02 0.00 0.00 176.95 175.78 1nqe s SER 215 N 0.83 2.20 0.05 2.95 0.01 -0.03 -1.37 113.70 118.33 1nqe s SER 215 Ca 0.20 -0.84 -0.02 0.00 1.31 0.00 0.00 55.95 56.60 1nqe s SER 215 Cb -0.14 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 1nqe s SER 215 CO 0.07 -0.12 0.01 -0.83 0.41 0.00 0.00 173.24 172.79 1nqe s GLY 216 N -2.56 0.34 -0.00 3.44 0.00 0.12 -1.32 107.32 107.35 1nqe s GLY 216 Ca 0.11 -0.93 -0.15 0.00 0.00 0.00 0.00 44.72 43.75 1nqe s GLY 216 CO 0.04 -1.05 0.31 -0.11 0.00 0.00 0.00 173.10 172.29 1nqe s PHE 217 N -3.26 -0.17 -0.02 1.90 -0.12 -0.62 -0.27 117.98 115.41 1nqe s PHE 217 Ca 0.01 0.20 0.02 0.00 -0.05 0.00 0.00 56.93 57.11 1nqe s PHE 217 Cb 0.03 0.10 0.01 0.00 -0.63 0.00 0.00 43.02 42.52 1nqe s PHE 217 CO -0.08 -0.42 -0.06 0.08 -0.05 0.00 0.00 175.22 174.70 1nqe s VAL 218 N -1.59 0.57 0.01 -2.49 1.01 0.36 -1.87 120.40 116.41 1nqe s VAL 218 Ca -0.12 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1nqe s VAL 218 Cb -0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 1nqe s VAL 218 CO 0.03 0.19 -0.07 -0.13 0.00 0.00 0.00 175.10 175.12 1nqe s ARG 219 N 0.31 0.53 -0.18 2.72 0.52 0.70 -0.38 118.95 123.17 1nqe s ARG 219 Ca -0.04 -0.41 -0.09 0.00 -0.52 0.00 0.00 55.73 54.66 1nqe s ARG 219 Cb -0.08 -0.45 0.06 0.00 0.52 0.00 0.00 34.95 35.00 1nqe s ARG 219 CO 0.00 0.11 0.42 0.20 0.02 0.00 0.00 175.30 176.06 1nqe s GLY 220 N -0.64 -0.35 0.18 -3.53 0.00 -0.18 -0.46 107.32 102.34 1nqe s GLY 220 Ca -0.01 1.57 -0.13 0.00 0.00 0.00 0.00 44.72 46.14 1nqe s GLY 220 CO 0.00 1.80 0.40 -2.52 0.00 0.00 0.00 173.10 172.79 1nqe s TYR 221 N 1.55 0.12 -0.03 1.90 -0.85 -0.54 -1.14 117.35 118.37 1nqe s TYR 221 Ca -0.09 -0.48 -0.29 0.00 -0.52 0.00 0.00 57.07 55.70 1nqe s TYR 221 Cb -0.09 0.17 0.09 0.00 0.38 0.00 0.00 41.96 42.52 1nqe s TYR 221 CO -0.13 -0.81 0.78 0.20 -1.52 0.00 0.00 175.55 174.06 1nqe s GLY 222 N -2.91 -0.49 0.06 5.49 0.00 -0.70 -0.47 107.32 108.29 1nqe s GLY 222 Ca 0.12 1.29 0.01 0.00 0.00 0.00 0.00 44.72 46.14 1nqe s GLY 222 CO -0.02 0.73 -0.05 -2.52 0.00 0.00 0.00 173.10 171.23 1nqe s TYR 223 N -1.96 0.65 -0.23 1.90 -0.85 -0.24 -1.67 117.35 114.93 1nqe s TYR 223 Ca -0.04 -0.82 0.01 0.00 -0.52 0.00 0.00 57.07 55.70 1nqe s TYR 223 Cb -0.00 -0.41 0.06 0.00 0.38 0.00 0.00 41.96 41.99 1nqe s TYR 223 CO 0.01 -0.21 -0.06 0.34 -1.52 0.00 0.00 175.55 174.10 1nqe s ASP 224 N -2.48 3.87 -0.06 -0.18 -1.08 -0.09 -2.34 116.67 114.30 1nqe s ASP 224 Ca 0.02 -1.17 0.03 0.00 -0.52 0.00 0.00 52.55 50.91 1nqe s ASP 224 Cb 0.01 -1.22 -0.02 0.00 -1.46 0.00 0.00 42.92 40.22 1nqe s ASP 224 CO -0.05 -0.22 -0.14 0.20 0.52 0.00 0.00 175.17 175.48 1nqe s ASN 225 N 1.36 4.04 -0.11 -0.34 0.02 -0.30 -1.81 114.94 117.79 1nqe s ASN 225 Ca -0.06 -0.21 0.02 0.00 -1.02 0.00 0.00 52.86 51.59 1nqe s ASN 225 Cb -0.19 -0.93 0.01 0.00 0.02 0.00 0.00 41.25 40.17 1nqe s ASN 225 CO -0.06 0.33 -0.16 -0.60 0.02 0.00 0.00 177.10 176.63 1nqe s ARG 226 N -0.62 2.30 0.15 -0.60 3.52 0.25 -1.01 118.95 122.94 1nqe s ARG 226 Ca 0.09 -0.59 0.09 0.00 -0.13 0.00 0.00 55.73 55.19 1nqe s ARG 226 Cb -0.11 -1.95 -0.04 0.00 -1.56 0.00 0.00 34.95 31.29 1nqe s ARG 226 CO 0.01 -0.06 -0.20 0.95 -0.81 0.00 0.00 175.30 175.19 1nqe s THR 227 N 0.99 1.87 0.16 4.11 -4.23 -0.66 -0.90 115.64 116.97 1nqe s THR 227 Ca -0.06 -1.81 0.11 0.00 -1.18 0.00 0.00 61.69 58.74 1nqe s THR 227 Cb -0.15 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 1nqe s THR 227 CO -0.02 -0.20 -0.25 0.20 -0.54 0.00 0.00 174.62 173.81 1nqe s ASN 228 N -2.42 3.29 0.00 3.99 0.01 -0.36 -1.47 114.94 117.98 1nqe s ASN 228 Ca 0.13 -0.80 0.00 0.00 -0.71 0.00 0.00 52.86 51.48 1nqe s ASN 228 Cb -0.07 -0.23 0.00 0.00 0.41 0.00 0.00 41.25 41.36 1nqe s ASN 228 CO 0.06 0.14 0.00 -0.67 -1.51 0.00 0.00 177.10 175.12 1nqe n ASP 241 N 0.62 0.00 -4.34 -1.22 2.03 -1.26 -4.87 116.55 107.51 1nqe n ASP 241 Ca -0.16 0.28 -0.30 0.00 0.52 0.00 0.00 54.79 55.14 1nqe n ASP 241 Cb 0.54 -0.73 -0.15 0.00 -0.72 0.00 0.00 41.12 40.07 1nqe n ASP 241 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1nqe s THR 242 N -0.90 2.13 -0.07 5.18 2.01 -1.19 -4.99 115.64 117.81 1nqe s THR 242 Ca 0.00 -1.40 0.04 0.00 0.31 0.00 0.00 61.69 60.64 1nqe s THR 242 Cb 0.00 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.69 1nqe s THR 242 CO 0.00 0.35 -0.19 -0.60 -0.69 0.00 0.00 174.62 173.49 1nqe s ARG 243 N -1.27 2.29 -0.18 4.92 3.52 -0.54 -0.97 118.95 126.72 1nqe s ARG 243 Ca 0.12 -0.69 0.01 0.00 -0.13 0.00 0.00 55.73 55.03 1nqe s ARG 243 Cb -0.10 -1.85 0.02 0.00 -1.56 0.00 0.00 34.95 31.46 1nqe s ARG 243 CO 0.02 0.19 -0.19 0.21 -0.81 0.00 0.00 175.30 174.72 1nqe s LYS 244 N 0.26 3.02 -0.13 5.12 2.47 -0.16 -1.66 119.74 128.65 1nqe s LYS 244 Ca -0.11 -0.82 0.03 0.00 -1.56 0.00 0.00 55.97 53.50 1nqe s LYS 244 Cb -0.15 -2.58 0.01 0.00 -1.46 0.00 0.00 37.83 33.65 1nqe s LYS 244 CO 0.05 -0.18 -0.22 -1.17 0.16 0.00 0.00 175.35 174.00 1nqe s LEU 245 N 1.23 2.15 -0.10 5.43 0.20 -0.18 0.31 118.68 127.71 1nqe s LEU 245 Ca 0.03 -0.58 0.02 0.00 0.69 0.00 0.00 54.13 54.29 1nqe s LEU 245 Cb -0.13 -1.45 -0.02 0.00 -0.43 0.00 0.00 46.19 44.16 1nqe s LEU 245 CO -0.11 0.10 -0.15 -0.31 -0.29 0.00 0.00 176.35 175.59 1nqe s TYR 246 N 0.71 2.74 -0.06 5.38 2.02 -0.38 -1.15 117.35 126.61 1nqe s TYR 246 Ca -0.09 -0.57 -0.05 0.00 -0.37 0.00 0.00 57.07 55.98 1nqe s TYR 246 Cb -0.16 -1.76 0.01 0.00 -0.40 0.00 0.00 41.96 39.65 1nqe s TYR 246 CO 0.01 -0.14 0.16 0.45 -1.57 0.00 0.00 175.55 174.45 1nqe s SER 247 N 0.06 -0.16 0.01 2.29 0.15 -0.99 -0.91 113.70 114.16 1nqe s SER 247 Ca -0.06 0.30 -0.01 0.00 0.70 0.00 0.00 55.95 56.88 1nqe s SER 247 Cb -0.15 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.46 1nqe s SER 247 CO 0.05 -0.06 -0.01 0.00 1.20 0.00 0.00 173.24 174.42 1nqe s GLN 248 N 0.03 0.28 0.00 5.44 -2.07 -0.60 -1.08 119.66 121.66 1nqe s GLN 248 Ca -0.00 -0.48 0.00 0.00 -1.82 0.00 0.00 55.36 53.05 1nqe s GLN 248 Cb -0.01 0.10 -0.00 0.00 -1.09 0.00 0.00 33.01 32.00 1nqe s GLN 248 CO 0.00 -0.05 -0.01 -1.12 -1.32 0.00 0.00 175.29 172.79 1nqe s SER 249 N -1.21 0.13 -0.05 12.60 0.01 0.38 -1.46 113.70 124.10 1nqe s SER 249 Ca -0.13 -0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.02 1nqe s SER 249 Cb -0.08 0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.18 1nqe s SER 249 CO -0.01 -0.06 -0.06 0.26 0.41 0.00 0.00 173.24 173.78 1nqe s TRP 250 N -0.33 0.91 0.07 2.43 0.52 0.59 -1.46 118.94 121.67 1nqe s TRP 250 Ca -0.03 -0.28 0.05 0.00 0.02 0.00 0.00 56.10 55.86 1nqe s TRP 250 Cb -0.02 -0.75 -0.03 0.00 -1.15 0.00 0.00 33.47 31.52 1nqe s TRP 250 CO -0.00 -0.20 -0.15 -0.51 0.02 0.00 0.00 176.95 176.10 1nqe s ASP 251 N 0.83 1.78 -0.11 2.95 -0.00 0.39 -0.95 116.67 121.56 1nqe s ASP 251 Ca -0.12 -0.61 -0.14 0.00 -0.00 0.00 0.00 52.55 51.68 1nqe s ASP 251 Cb -0.15 -0.07 0.03 0.00 -0.00 0.00 0.00 42.92 42.74 1nqe s ASP 251 CO 0.01 -0.05 0.37 0.00 -0.00 0.00 0.00 175.17 175.51 1nqe s ALA 252 N -1.21 -0.93 0.22 5.23 0.00 -0.18 -0.22 121.76 124.69 1nqe s ALA 252 Ca -0.01 0.90 -0.21 0.00 0.00 0.00 0.00 51.96 52.64 1nqe s ALA 252 Cb -0.10 -0.43 0.07 0.00 0.00 0.00 0.00 23.12 22.66 1nqe s ALA 252 CO 0.02 -0.21 0.97 0.20 0.00 0.00 0.00 175.76 176.75 1nqe s GLY 253 N -0.22 0.11 -0.02 0.00 0.00 -0.78 0.06 107.32 106.47 1nqe s GLY 253 Ca -0.04 -0.35 0.04 0.00 0.00 0.00 0.00 44.72 44.37 1nqe s GLY 253 CO 0.02 1.41 -0.12 1.08 0.00 0.00 0.00 173.10 175.49 1nqe s LEU 254 N -3.25 1.92 0.05 0.66 1.43 -0.23 -1.59 118.68 117.67 1nqe s LEU 254 Ca 0.19 -0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1nqe s LEU 254 Cb -0.03 -0.69 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 1nqe s LEU 254 CO 0.06 0.13 -0.12 -0.13 0.23 0.00 0.00 176.35 176.52 1nqe s ARG 255 N -0.06 0.76 -0.14 1.70 0.52 -0.43 -0.67 118.95 120.61 1nqe s ARG 255 Ca 0.00 -0.80 0.02 0.00 -0.52 0.00 0.00 55.73 54.43 1nqe s ARG 255 Cb -0.08 -0.71 0.01 0.00 0.52 0.00 0.00 34.95 34.70 1nqe s ARG 255 CO 0.00 0.16 -0.20 -0.47 0.02 0.00 0.00 175.30 174.81 1nqe s TYR 256 N -1.11 2.58 -0.52 -0.53 5.04 0.08 -0.85 117.35 122.04 1nqe s TYR 256 Ca -0.03 -1.35 0.04 0.00 -2.44 0.00 0.00 57.07 53.29 1nqe s TYR 256 Cb -0.09 -1.78 0.14 0.00 0.35 0.00 0.00 41.96 40.58 1nqe s TYR 256 CO 0.01 -0.64 0.28 1.21 -1.34 0.00 0.00 175.55 175.08 1nqe s ASN 257 N 0.96 4.15 0.36 4.32 2.47 0.76 -0.64 114.94 127.33 1nqe s ASN 257 Ca -0.04 -3.02 0.04 0.00 0.42 0.00 0.00 52.86 50.26 1nqe s ASN 257 Cb -0.15 -1.46 0.06 0.00 -1.45 0.00 0.00 41.25 38.25 1nqe s ASN 257 CO -0.05 -0.22 0.45 0.61 -3.72 0.00 0.00 177.10 174.17 1nqe n GLY 258 N 3.08 1.70 0.30 1.21 0.00 0.01 -4.59 105.19 106.90 1nqe n GLY 258 Ca 0.08 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.86 1nqe n GLY 258 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nqe h GLU 259 N 0.00 1.05 0.00 1.61 3.07 -1.99 -3.38 114.58 114.94 1nqe h GLU 259 Ca -0.15 -0.35 -0.10 0.00 -0.50 0.00 0.00 59.36 58.26 1nqe h GLU 259 Cb 0.66 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 1nqe h GLU 259 CO 0.20 1.05 -1.36 1.28 -1.40 0.00 0.00 179.01 178.78 1nqe n LEU 260 N -4.16 2.96 -4.83 1.33 4.32 -1.26 -4.92 117.00 110.43 1nqe n LEU 260 Ca 0.02 -0.03 -0.36 0.00 -0.02 0.00 0.00 56.01 55.62 1nqe n LEU 260 Cb 0.37 -0.22 -0.07 0.00 -1.62 0.00 0.00 43.42 41.89 1nqe n LEU 260 CO 0.45 0.60 -0.16 -0.63 -1.22 0.00 0.00 177.39 176.43 1nqe s ILE 261 N -2.13 5.46 0.01 -0.08 1.01 -1.26 -1.46 121.20 122.76 1nqe s ILE 261 Ca -0.09 0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.83 1nqe s ILE 261 Cb 0.02 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 1nqe s ILE 261 CO 0.15 0.56 -0.12 -0.54 0.00 0.00 0.00 174.94 174.98 1nqe s LYS 262 N -0.61 0.93 0.04 2.79 3.01 0.28 -0.81 119.74 125.37 1nqe s LYS 262 Ca 0.13 -0.56 -0.09 0.00 -1.01 0.00 0.00 55.97 54.44 1nqe s LYS 262 Cb -0.12 -0.90 0.00 0.00 -1.01 0.00 0.00 37.83 35.80 1nqe s LYS 262 CO 0.03 0.24 0.18 0.45 0.51 0.00 0.00 175.35 176.75 1nqe s SER 263 N -0.66 0.05 -0.16 2.83 0.15 0.19 -0.62 113.70 115.49 1nqe s SER 263 Ca 0.03 -0.39 -0.14 0.00 0.70 0.00 0.00 55.95 56.15 1nqe s SER 263 Cb -0.06 0.28 0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1nqe s SER 263 CO 0.00 -0.55 0.42 0.00 1.20 0.00 0.00 173.24 174.32 1nqe s GLN 264 N -2.54 0.48 -0.14 5.44 -2.07 0.04 -0.74 119.66 120.12 1nqe s GLN 264 Ca -0.05 0.60 0.00 0.00 -1.82 0.00 0.00 55.36 54.09 1nqe s GLN 264 Cb -0.01 0.22 0.02 0.00 -1.09 0.00 0.00 33.01 32.15 1nqe s GLN 264 CO -0.04 -0.07 -0.13 -1.17 -1.32 0.00 0.00 175.29 172.56 1nqe s LEU 265 N 0.31 1.61 -0.05 2.60 0.20 0.15 -1.33 118.68 122.18 1nqe s LEU 265 Ca -0.01 -0.46 0.02 0.00 0.69 0.00 0.00 54.13 54.37 1nqe s LEU 265 Cb -0.03 -1.13 0.01 0.00 -0.43 0.00 0.00 46.19 44.61 1nqe s LEU 265 CO -0.00 -0.07 -0.11 -0.63 -0.29 0.00 0.00 176.35 175.25 1nqe s ILE 266 N 1.52 1.01 -0.04 6.68 1.01 -0.12 -1.06 121.20 130.20 1nqe s ILE 266 Ca 0.05 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.32 1nqe s ILE 266 Cb -0.13 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 1nqe s ILE 266 CO -0.10 0.32 -0.22 -0.89 0.00 0.00 0.00 174.94 174.05 1nqe s THR 267 N 0.50 1.78 -0.06 2.92 2.01 0.11 -1.13 115.64 121.76 1nqe s THR 267 Ca -0.10 -0.93 -0.09 0.00 0.31 0.00 0.00 61.69 60.88 1nqe s THR 267 Cb -0.13 -1.50 0.02 0.00 0.01 0.00 0.00 72.50 70.89 1nqe s THR 267 CO 0.02 0.50 0.23 -0.55 -0.69 0.00 0.00 174.62 174.14 1nqe s SER 268 N -0.22 -0.19 -0.06 3.53 0.15 -0.41 -1.01 113.70 115.49 1nqe s SER 268 Ca 0.00 0.31 -0.00 0.00 0.70 0.00 0.00 55.95 56.96 1nqe s SER 268 Cb -0.11 0.42 0.03 0.00 -1.71 0.00 0.00 66.02 64.64 1nqe s SER 268 CO 0.02 -0.19 -0.01 -0.47 1.20 0.00 0.00 173.24 173.79 1nqe s TYR 269 N -0.36 0.63 -0.02 3.44 5.04 -0.13 -0.20 117.35 125.76 1nqe s TYR 269 Ca -0.05 -0.15 0.04 0.00 -2.44 0.00 0.00 57.07 54.48 1nqe s TYR 269 Cb -0.03 -0.69 -0.01 0.00 0.35 0.00 0.00 41.96 41.58 1nqe s TYR 269 CO 0.01 -0.25 -0.13 -1.12 -1.34 0.00 0.00 175.55 172.72 1nqe s SER 270 N 1.49 1.63 -0.10 4.32 0.01 -0.67 -0.30 113.70 120.08 1nqe s SER 270 Ca -0.02 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1nqe s SER 270 Cb -0.13 -0.28 0.02 0.00 0.21 0.00 0.00 66.02 65.84 1nqe s SER 270 CO -0.03 0.15 -0.09 -2.28 0.41 0.00 0.00 173.24 171.40 1nqe s HIS 271 N -0.16 1.46 0.00 2.43 2.46 -0.54 -0.57 115.29 120.38 1nqe s HIS 271 Ca 0.02 -0.68 0.05 0.00 0.47 0.00 0.00 55.06 54.93 1nqe s HIS 271 Cb -0.07 -1.18 -0.02 0.00 -0.13 0.00 0.00 32.58 31.19 1nqe s HIS 271 CO 0.00 -0.45 -0.16 -1.54 -2.47 0.00 0.00 174.74 170.12 1nqe s SER 272 N 1.42 1.94 -0.14 9.88 1.04 -0.83 -1.56 113.70 125.46 1nqe s SER 272 Ca -0.00 -0.34 -0.00 0.00 0.48 0.00 0.00 55.95 56.08 1nqe s SER 272 Cb -0.13 -0.20 0.03 0.00 0.10 0.00 0.00 66.02 65.82 1nqe s SER 272 CO -0.05 0.17 -0.10 -0.54 0.98 0.00 0.00 173.24 173.70 1nqe s LYS 273 N -0.58 1.86 -0.32 4.02 1.02 -0.08 -2.12 119.74 123.53 1nqe s LYS 273 Ca 0.06 -0.44 0.01 0.00 0.02 0.00 0.00 55.97 55.62 1nqe s LYS 273 Cb -0.07 -1.89 0.08 0.00 -0.52 0.00 0.00 37.83 35.43 1nqe s LYS 273 CO -0.00 -0.28 0.02 0.34 -0.92 0.00 0.00 175.35 174.51 1nqe s ASP 274 N 1.59 4.81 -0.17 2.83 2.15 0.12 -1.25 116.67 126.76 1nqe s ASP 274 Ca 0.04 -1.70 -0.15 0.00 0.43 0.00 0.00 52.55 51.17 1nqe s ASP 274 Cb -0.13 -1.67 -0.04 0.00 -0.30 0.00 0.00 42.92 40.78 1nqe s ASP 274 CO -0.09 -0.33 0.37 -0.31 -0.17 0.00 0.00 175.17 174.64 1nqe s TYR 275 N 1.09 3.44 -0.01 -5.34 1.51 0.15 -1.46 117.35 116.73 1nqe s TYR 275 Ca 0.01 0.66 0.08 0.00 -1.01 0.00 0.00 57.07 56.80 1nqe s TYR 275 Cb -0.20 -2.45 -0.02 0.00 -0.11 0.00 0.00 41.96 39.17 1nqe s TYR 275 CO -0.05 0.13 -0.24 -0.80 -1.11 0.00 0.00 175.55 173.48 1nqe s ASN 276 N 0.73 3.22 -0.16 2.29 0.01 -0.61 -0.99 114.94 119.43 1nqe s ASN 276 Ca 0.19 -0.45 -0.34 0.00 -0.71 0.00 0.00 52.86 51.55 1nqe s ASN 276 Cb -0.14 -0.41 0.14 0.00 0.41 0.00 0.00 41.25 41.25 1nqe s ASN 276 CO 0.07 0.31 1.29 -0.72 -1.51 0.00 0.00 177.10 176.53 1nqe s TYR 277 N -0.67 -0.07 0.02 2.20 -0.85 -0.14 -1.97 117.35 115.86 1nqe s TYR 277 Ca 0.11 0.02 -0.13 0.00 -0.52 0.00 0.00 57.07 56.55 1nqe s TYR 277 Cb -0.10 0.52 0.02 0.00 0.38 0.00 0.00 41.96 42.77 1nqe s TYR 277 CO -0.00 -0.17 0.26 0.00 -1.52 0.00 0.00 175.55 174.13 1nqe s ALA 288 N -2.31 -0.61 0.16 9.51 0.00 -1.26 -3.16 121.76 124.09 1nqe s ALA 288 Ca 0.12 0.05 0.10 0.00 0.00 0.00 0.00 51.96 52.23 1nqe s ALA 288 Cb 0.01 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 1nqe s ALA 288 CO -0.04 -0.32 -0.22 0.95 0.00 0.00 0.00 175.76 176.13 1nqe s THR 289 N -1.95 2.54 -0.07 0.00 -4.23 -0.83 -5.13 115.64 105.97 1nqe s THR 289 Ca -0.09 -1.81 -0.00 0.00 -1.18 0.00 0.00 61.69 58.60 1nqe s THR 289 Cb -0.03 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.64 1nqe s THR 289 CO 0.00 -0.02 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.81 1nqe s LEU 290 N -2.43 0.97 -0.20 4.79 2.96 -1.26 -1.58 118.68 121.93 1nqe s LEU 290 Ca 0.19 -0.14 -0.06 0.00 -0.22 0.00 0.00 54.13 53.91 1nqe s LEU 290 Cb -0.09 -0.51 -0.03 0.00 0.50 0.00 0.00 46.19 46.06 1nqe s LEU 290 CO 0.10 -0.13 0.03 -1.81 -1.32 0.00 0.00 176.35 173.22 1nqe s ASP 291 N 1.51 5.09 -0.06 3.68 1.01 -0.53 -4.06 116.67 123.31 1nqe s ASP 291 Ca -0.02 -0.12 -0.01 0.00 0.71 0.00 0.00 52.55 53.11 1nqe s ASP 291 Cb -0.13 -1.88 0.03 0.00 1.01 0.00 0.00 42.92 41.95 1nqe s ASP 291 CO -0.03 0.08 0.01 -0.70 0.21 0.00 0.00 175.17 174.73 1nqe s GLU 292 N 0.91 0.49 -0.01 8.23 2.12 -1.26 0.16 118.70 129.34 1nqe s GLU 292 Ca 0.02 0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.51 1nqe s GLU 292 Cb -0.14 -0.85 -0.01 0.00 0.26 0.00 0.00 34.13 33.40 1nqe s GLU 292 CO 0.02 -0.28 -0.09 1.41 -0.54 0.00 0.00 175.26 175.79 1nqe s MET 293 N 1.84 0.71 -0.06 4.30 1.75 -0.90 -2.35 119.30 124.59 1nqe s MET 293 Ca 0.02 -0.32 0.05 0.00 -1.25 0.00 0.00 55.69 54.19 1nqe s MET 293 Cb -0.12 -0.69 -0.02 0.00 2.84 0.00 0.00 34.83 36.84 1nqe s MET 293 CO -0.04 0.19 -0.19 0.15 -0.65 0.00 0.00 175.02 174.48 1nqe s LYS 294 N -0.22 2.56 -0.08 4.11 1.02 -0.20 -1.96 119.74 124.97 1nqe s LYS 294 Ca 0.03 -0.79 0.03 0.00 0.02 0.00 0.00 55.97 55.26 1nqe s LYS 294 Cb -0.03 -2.30 0.01 0.00 -0.52 0.00 0.00 37.83 34.99 1nqe s LYS 294 CO -0.00 0.50 -0.16 -1.14 -0.92 0.00 0.00 175.35 173.63 1nqe s GLN 295 N -0.43 2.19 -0.12 1.68 0.74 0.27 -1.18 119.66 122.80 1nqe s GLN 295 Ca 0.05 -0.58 0.03 0.00 0.05 0.00 0.00 55.36 54.91 1nqe s GLN 295 Cb -0.12 -1.76 0.00 0.00 1.10 0.00 0.00 33.01 32.23 1nqe s GLN 295 CO 0.02 0.05 -0.21 0.71 -0.55 0.00 0.00 175.29 175.31 1nqe s TYR 296 N 0.64 2.65 -0.05 1.67 1.51 0.10 -1.67 117.35 122.20 1nqe s TYR 296 Ca -0.14 -1.11 0.04 0.00 -1.01 0.00 0.00 57.07 54.84 1nqe s TYR 296 Cb -0.16 -1.78 0.00 0.00 -0.11 0.00 0.00 41.96 39.91 1nqe s TYR 296 CO 0.04 -0.47 -0.16 0.99 -1.11 0.00 0.00 175.55 174.84 1nqe s THR 297 N 0.57 1.36 -0.05 -0.71 2.01 0.73 -0.64 115.64 118.91 1nqe s THR 297 Ca -0.12 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1nqe s THR 297 Cb -0.17 -1.19 0.02 0.00 0.01 0.00 0.00 72.50 71.17 1nqe s THR 297 CO 0.04 0.40 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.63 1nqe s VAL 298 N 0.23 0.59 -0.01 3.82 1.01 -0.22 -1.29 120.40 124.52 1nqe s VAL 298 Ca -0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 1nqe s VAL 298 Cb -0.13 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.64 1nqe s VAL 298 CO 0.03 0.24 0.06 -1.10 0.00 0.00 0.00 175.10 174.33 1nqe s GLN 299 N 0.95 0.20 -0.07 2.72 -0.21 -0.29 -0.37 119.66 122.59 1nqe s GLN 299 Ca -0.11 -0.14 0.01 0.00 0.02 0.00 0.00 55.36 55.14 1nqe s GLN 299 Cb -0.14 0.08 0.02 0.00 1.00 0.00 0.00 33.01 33.97 1nqe s GLN 299 CO 0.00 -0.04 -0.06 -0.46 -2.12 0.00 0.00 175.29 172.61 1nqe s TRP 300 N -0.52 1.06 0.00 0.91 -0.00 -0.51 -0.94 118.94 118.95 1nqe s TRP 300 Ca -0.06 -0.39 0.01 0.00 -0.00 0.00 0.00 56.10 55.66 1nqe s TRP 300 Cb -0.04 -0.90 -0.00 0.00 -0.00 0.00 0.00 33.47 32.53 1nqe s TRP 300 CO 0.00 -0.30 -0.03 0.00 -0.00 0.00 0.00 176.95 176.62 1nqe s ALA 301 N 1.16 0.23 0.14 5.86 0.00 -0.44 -0.82 121.76 127.90 1nqe s ALA 301 Ca -0.06 -0.18 0.07 0.00 0.00 0.00 0.00 51.96 51.78 1nqe s ALA 301 Cb -0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1nqe s ALA 301 CO -0.01 0.04 -0.16 -0.80 0.00 0.00 0.00 175.76 174.83 1nqe s ASN 302 N -0.24 2.25 -0.16 0.00 -0.87 -0.49 -0.78 114.94 114.65 1nqe s ASN 302 Ca -0.01 -0.83 -0.15 0.00 -1.57 0.00 0.00 52.86 50.31 1nqe s ASN 302 Cb -0.02 -0.10 0.04 0.00 -0.02 0.00 0.00 41.25 41.15 1nqe s ASN 302 CO -0.00 -0.10 0.43 0.21 -2.57 0.00 0.00 177.10 175.07 1nqe s ASN 303 N -2.52 -0.45 -0.00 -1.22 3.84 0.21 -1.70 114.94 113.10 1nqe s ASN 303 Ca 0.11 0.87 0.03 0.00 0.21 0.00 0.00 52.86 54.08 1nqe s ASN 303 Cb -0.05 0.87 -0.01 0.00 -0.55 0.00 0.00 41.25 41.51 1nqe s ASN 303 CO 0.04 -0.15 -0.10 0.68 -2.79 0.00 0.00 177.10 174.78 1nqe s VAL 304 N 0.30 0.76 -0.15 -5.21 -7.23 0.39 -0.55 120.40 108.71 1nqe s VAL 304 Ca -0.01 -0.47 -0.29 0.00 -1.81 0.00 0.00 61.98 59.40 1nqe s VAL 304 Cb -0.03 -0.65 -0.01 0.00 0.56 0.00 0.00 36.38 36.25 1nqe s VAL 304 CO -0.00 0.17 1.10 -0.63 -0.31 0.00 0.00 175.10 175.43 1nqe s ILE 305 N -0.32 4.56 -0.18 -0.62 1.01 -0.53 -1.35 121.20 123.78 1nqe s ILE 305 Ca 0.03 1.87 -0.02 0.00 0.00 0.00 0.00 60.65 62.52 1nqe s ILE 305 Cb -0.04 -4.20 0.05 0.00 0.01 0.00 0.00 42.46 38.28 1nqe s ILE 305 CO -0.00 -0.09 0.01 -0.69 0.00 0.00 0.00 174.94 174.17 1nqe s VAL 306 N 2.76 0.68 0.00 2.92 1.01 -0.39 -4.95 120.40 122.43 1nqe s VAL 306 Ca 0.49 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1nqe s VAL 306 Cb -0.19 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.13 1nqe s VAL 306 CO 0.14 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1nqe n GLY 307 N 5.00 3.28 3.04 4.51 0.00 -1.26 -2.32 105.19 117.44 1nqe n GLY 307 Ca -0.09 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 1nqe n GLY 307 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nqe n HIS 308 N 13.80 2.65 -3.68 1.61 -0.00 -1.26 -4.93 115.22 123.41 1nqe n HIS 308 Ca 0.00 -2.77 0.00 0.00 -0.00 0.00 0.00 57.72 54.95 1nqe n HIS 308 Cb 0.00 -1.30 0.00 0.00 -0.00 0.00 0.00 29.99 28.69 1nqe n HIS 308 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1nqe n GLY 309 N 1.48 -1.19 3.49 -1.41 0.00 -0.98 -0.08 105.19 106.50 1nqe n GLY 309 Ca 0.26 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 1nqe n GLY 309 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nqe s SER 310 N -4.00 -0.48 0.02 1.61 1.04 -0.17 -1.27 113.70 110.45 1nqe s SER 310 Ca 0.00 -0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.29 1nqe s SER 310 Cb 0.00 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.72 1nqe s SER 310 CO 0.00 -1.03 -0.04 -0.51 0.98 0.00 0.00 173.24 172.64 1nqe s ILE 311 N -3.79 0.27 0.09 -1.02 2.07 -0.45 -1.78 121.20 116.59 1nqe s ILE 311 Ca 0.03 -0.58 -0.06 0.00 -1.41 0.00 0.00 60.65 58.64 1nqe s ILE 311 Cb -0.02 -0.31 -0.02 0.00 0.13 0.00 0.00 42.46 42.24 1nqe s ILE 311 CO -0.09 -0.21 0.13 -0.83 -1.91 0.00 0.00 174.94 172.03 1nqe s GLY 312 N -0.83 0.34 0.13 1.50 0.00 -0.50 -0.46 107.32 107.49 1nqe s GLY 312 Ca -0.06 -0.90 -0.17 0.00 0.00 0.00 0.00 44.72 43.59 1nqe s GLY 312 CO -0.00 -1.01 0.42 0.00 0.00 0.00 0.00 173.10 172.51 1nqe s ALA 313 N -3.91 -0.97 0.23 3.20 0.00 -0.69 -0.61 121.76 119.01 1nqe s ALA 313 Ca 0.09 -0.02 -0.22 0.00 0.00 0.00 0.00 51.96 51.80 1nqe s ALA 313 Cb 0.06 0.72 0.04 0.00 0.00 0.00 0.00 23.12 23.93 1nqe s ALA 313 CO -0.08 -0.66 0.78 0.20 0.00 0.00 0.00 175.76 176.00 1nqe s GLY 314 N -2.80 -0.17 0.01 0.00 0.00 -0.44 -1.40 107.32 102.52 1nqe s GLY 314 Ca 0.03 -0.11 0.03 0.00 0.00 0.00 0.00 44.72 44.67 1nqe s GLY 314 CO -0.12 -0.04 -0.10 0.14 0.00 0.00 0.00 173.10 172.98 1nqe s VAL 315 N -3.72 0.81 -0.14 1.40 1.01 0.00 -1.72 120.40 118.05 1nqe s VAL 315 Ca 0.11 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 1nqe s VAL 315 Cb -0.04 -0.71 0.05 0.00 0.00 0.00 0.00 36.38 35.68 1nqe s VAL 315 CO 0.04 0.12 0.07 -0.62 0.00 0.00 0.00 175.10 174.72 1nqe s ASP 316 N -0.52 2.07 -0.05 3.32 -1.08 -0.33 -1.43 116.67 118.65 1nqe s ASP 316 Ca 0.02 -0.44 0.04 0.00 -0.52 0.00 0.00 52.55 51.65 1nqe s ASP 316 Cb -0.05 -0.25 -0.02 0.00 -1.46 0.00 0.00 42.92 41.13 1nqe s ASP 316 CO 0.00 -0.32 -0.16 0.86 0.52 0.00 0.00 175.17 176.07 1nqe s TRP 317 N 2.12 2.65 -0.01 -5.34 -0.00 0.50 -0.56 118.94 118.30 1nqe s TRP 317 Ca 0.03 -0.24 0.00 0.00 -0.00 0.00 0.00 56.10 55.89 1nqe s TRP 317 Cb -0.15 -1.62 0.01 0.00 -0.00 0.00 0.00 33.47 31.71 1nqe s TRP 317 CO -0.07 0.12 -0.00 -1.14 -0.00 0.00 0.00 176.95 175.85 1nqe s GLN 318 N -0.63 0.12 -0.06 5.86 0.74 -0.02 -1.06 119.66 124.62 1nqe s GLN 318 Ca 0.09 0.02 0.03 0.00 0.05 0.00 0.00 55.36 55.55 1nqe s GLN 318 Cb -0.11 -0.21 0.01 0.00 1.10 0.00 0.00 33.01 33.80 1nqe s GLN 318 CO 0.01 -0.04 -0.13 0.21 -0.55 0.00 0.00 175.29 174.79 1nqe s LYS 319 N 0.39 1.66 -0.11 1.67 2.20 0.19 -0.79 119.74 124.94 1nqe s LYS 319 Ca -0.03 -0.45 0.04 0.00 -0.36 0.00 0.00 55.97 55.16 1nqe s LYS 319 Cb -0.06 -1.39 0.00 0.00 -1.51 0.00 0.00 37.83 34.87 1nqe s LYS 319 CO -0.01 0.08 -0.23 -0.65 -0.36 0.00 0.00 175.35 174.18 1nqe s GLN 320 N 0.48 3.04 -0.12 4.03 -0.21 0.05 0.02 119.66 126.95 1nqe s GLN 320 Ca -0.11 -0.87 0.03 0.00 0.02 0.00 0.00 55.36 54.43 1nqe s GLN 320 Cb -0.14 -2.34 0.00 0.00 1.00 0.00 0.00 33.01 31.53 1nqe s GLN 320 CO 0.03 0.12 -0.23 0.95 -2.12 0.00 0.00 175.29 174.05 1nqe s THR 321 N 0.48 2.08 0.15 -0.19 -4.23 -0.33 -0.84 115.64 112.77 1nqe s THR 321 Ca -0.15 -0.99 0.05 0.00 -1.18 0.00 0.00 61.69 59.41 1nqe s THR 321 Cb -0.17 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 1nqe s THR 321 CO 0.06 0.55 0.12 0.42 -0.54 0.00 0.00 174.62 175.23 1nqe s THR 322 N 0.58 4.48 0.37 3.99 -4.23 -0.36 -1.03 115.64 119.44 1nqe s THR 322 Ca -0.13 -1.03 -0.16 0.00 -1.18 0.00 0.00 61.69 59.19 1nqe s THR 322 Cb -0.17 -3.27 -0.09 0.00 1.34 0.00 0.00 72.50 70.31 1nqe s THR 322 CO 0.03 -0.07 0.81 -0.89 -0.54 0.00 0.00 174.62 173.96 1nqe s THR 323 N -1.69 4.60 0.25 3.99 2.01 -0.99 -2.57 115.64 121.25 1nqe s THR 323 Ca 0.31 1.09 -0.30 0.00 0.31 0.00 0.00 61.69 63.10 1nqe s THR 323 Cb -0.10 -3.62 -0.14 0.00 0.01 0.00 0.00 72.50 68.65 1nqe s THR 323 CO 0.23 -0.26 1.16 -2.65 -0.69 0.00 0.00 174.62 172.41 1nqe n PRO 324 N -0.55 1.53 -0.36 4.92 -0.02 -1.26 -0.90 135.00 138.36 1nqe n PRO 324 Ca 0.05 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1nqe n PRO 324 Cb 0.53 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1nqe n PRO 324 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nqe n GLY 325 N 1.57 2.11 3.75 -1.23 0.00 0.17 -4.87 105.19 106.69 1nqe n GLY 325 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1nqe n GLY 325 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nqe s THR 326 N -3.29 3.22 -1.37 2.61 2.01 -0.08 -3.48 115.64 115.25 1nqe s THR 326 Ca 0.00 1.10 0.00 0.00 0.31 0.00 0.00 61.69 63.10 1nqe s THR 326 Cb 0.00 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.81 1nqe s THR 326 CO 0.00 0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.75 1nqe n GLY 327 N 1.69 0.82 2.94 4.40 0.00 -1.26 -2.15 105.19 111.62 1nqe n GLY 327 Ca 0.03 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.49 1nqe n GLY 327 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nqe n TYR 328 N -3.14 -1.73 -4.56 1.61 4.02 -1.23 -4.66 117.16 107.48 1nqe n TYR 328 Ca -0.15 0.38 -0.32 0.00 -0.01 0.00 0.00 57.90 57.79 1nqe n TYR 328 Cb 0.52 -3.88 -0.11 0.00 -0.02 0.00 0.00 39.34 35.85 1nqe n TYR 328 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1nqe s VAL 329 N -3.04 3.50 0.03 -0.72 1.01 -0.92 -4.47 120.40 115.80 1nqe s VAL 329 Ca 0.25 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 61.22 1nqe s VAL 329 Cb -0.12 -2.49 -0.14 0.00 0.00 0.00 0.00 36.38 33.64 1nqe s VAL 329 CO 0.31 0.45 1.25 1.05 0.00 0.00 0.00 175.10 178.16 1nqe h GLU 330 N 4.75 -0.86 -7.09 2.72 -0.00 -1.87 0.51 114.58 112.75 1nqe h GLU 330 Ca -0.48 0.06 -0.50 0.00 -0.00 0.00 0.00 59.36 58.44 1nqe h GLU 330 Cb 1.17 0.19 0.04 0.00 -0.00 0.00 0.00 28.75 30.15 1nqe h GLU 330 CO 0.52 -0.57 0.23 -0.51 -0.00 0.00 0.00 179.01 178.69 1nqe s ASP 331 N -3.62 6.29 0.28 3.06 -0.00 -1.26 -1.64 116.67 119.78 1nqe s ASP 331 Ca -0.13 1.15 -0.29 0.00 -0.00 0.00 0.00 52.55 53.29 1nqe s ASP 331 Cb 0.01 -2.35 -0.09 0.00 -0.00 0.00 0.00 42.92 40.49 1nqe s ASP 331 CO 0.39 -0.67 1.00 -0.83 -0.00 0.00 0.00 175.17 175.06 1nqe s GLY 332 N -3.99 3.03 0.20 0.21 0.00 -1.26 -4.36 107.32 101.14 1nqe s GLY 332 Ca 0.51 0.70 0.11 0.00 0.00 0.00 0.00 44.72 46.04 1nqe s GLY 332 CO 0.46 1.25 -0.23 -0.19 0.00 0.00 0.00 173.10 174.40 1nqe s TYR 333 N -1.28 2.21 -0.28 1.90 2.02 -1.06 -4.89 117.35 115.98 1nqe s TYR 333 Ca 0.45 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.79 1nqe s TYR 333 Cb -0.27 -1.08 0.08 0.00 -0.40 0.00 0.00 41.96 40.29 1nqe s TYR 333 CO 0.33 0.49 -0.02 0.34 -1.57 0.00 0.00 175.55 175.13 1nqe s ASP 334 N -2.76 4.28 -0.11 2.29 -1.08 -1.26 -1.22 116.67 116.80 1nqe s ASP 334 Ca 0.21 -1.56 -0.00 0.00 -0.52 0.00 0.00 52.55 50.67 1nqe s ASP 334 Cb -0.07 -1.36 -0.02 0.00 -1.46 0.00 0.00 42.92 40.00 1nqe s ASP 334 CO 0.10 -0.29 -0.09 -1.10 0.52 0.00 0.00 175.17 174.31 1nqe s GLN 335 N 1.21 3.19 0.04 4.34 -0.21 -0.02 -4.98 119.66 123.23 1nqe s GLN 335 Ca -0.00 -0.61 0.05 0.00 0.02 0.00 0.00 55.36 54.82 1nqe s GLN 335 Cb -0.19 -2.66 -0.02 0.00 1.00 0.00 0.00 33.01 31.14 1nqe s GLN 335 CO -0.09 0.39 -0.16 1.03 -2.12 0.00 0.00 175.29 174.34 1nqe s ARG 336 N -0.08 1.06 -0.08 2.91 0.52 -1.26 -0.77 118.95 121.26 1nqe s ARG 336 Ca -0.00 -0.80 -0.07 0.00 -0.52 0.00 0.00 55.73 54.34 1nqe s ARG 336 Cb -0.14 -1.09 0.02 0.00 0.52 0.00 0.00 34.95 34.26 1nqe s ARG 336 CO 0.03 0.27 0.21 1.21 0.02 0.00 0.00 175.30 177.04 1nqe s ASN 337 N -1.12 -0.21 -0.04 0.23 3.84 0.03 -0.72 114.94 116.94 1nqe s ASN 337 Ca 0.03 0.41 0.02 0.00 0.21 0.00 0.00 52.86 53.54 1nqe s ASN 337 Cb -0.08 0.41 0.01 0.00 -0.55 0.00 0.00 41.25 41.04 1nqe s ASN 337 CO 0.01 -0.08 -0.08 -0.89 -2.79 0.00 0.00 177.10 173.28 1nqe s THR 338 N 0.18 0.76 0.14 -5.21 2.01 -0.62 -0.84 115.64 112.06 1nqe s THR 338 Ca -0.01 -0.30 0.07 0.00 0.31 0.00 0.00 61.69 61.77 1nqe s THR 338 Cb -0.02 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 1nqe s THR 338 CO -0.00 0.26 -0.17 -0.83 -0.69 0.00 0.00 174.62 173.19 1nqe s GLY 339 N 0.55 1.23 0.00 4.40 0.00 0.28 -0.97 107.32 112.81 1nqe s GLY 339 Ca -0.09 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 43.29 1nqe s GLY 339 CO 0.01 -1.41 -0.08 -1.50 0.00 0.00 0.00 173.10 170.12 1nqe s ILE 340 N -1.97 0.60 0.19 0.90 2.07 0.34 -1.19 121.20 122.15 1nqe s ILE 340 Ca 0.11 -0.41 -0.11 0.00 -1.41 0.00 0.00 60.65 58.84 1nqe s ILE 340 Cb -0.06 -0.52 -0.00 0.00 0.13 0.00 0.00 42.46 42.00 1nqe s ILE 340 CO 0.05 0.11 0.35 -0.72 -1.91 0.00 0.00 174.94 172.82 1nqe s TYR 341 N -0.30 0.34 -0.00 3.50 -0.85 -0.70 -0.40 117.35 118.93 1nqe s TYR 341 Ca 0.02 -0.69 0.03 0.00 -0.52 0.00 0.00 57.07 55.91 1nqe s TYR 341 Cb -0.04 0.04 -0.01 0.00 0.38 0.00 0.00 41.96 42.33 1nqe s TYR 341 CO -0.00 -0.80 -0.10 -1.17 -1.52 0.00 0.00 175.55 171.96 1nqe s LEU 342 N -2.97 2.04 0.20 -3.49 2.96 -0.53 -1.33 118.68 115.57 1nqe s LEU 342 Ca 0.18 -0.22 0.07 0.00 -0.22 0.00 0.00 54.13 53.94 1nqe s LEU 342 Cb 0.02 -0.51 -0.05 0.00 0.50 0.00 0.00 46.19 46.16 1nqe s LEU 342 CO 0.02 0.10 -0.13 0.42 -1.32 0.00 0.00 176.35 175.44 1nqe s THR 343 N -0.32 1.68 -0.07 3.68 -4.23 0.22 -1.60 115.64 114.99 1nqe s THR 343 Ca 0.03 -2.19 -0.24 0.00 -1.18 0.00 0.00 61.69 58.11 1nqe s THR 343 Cb -0.04 -2.05 0.05 0.00 1.34 0.00 0.00 72.50 71.80 1nqe s THR 343 CO -0.00 -0.59 0.55 -0.83 -0.54 0.00 0.00 174.62 173.21 1nqe s GLY 344 N -3.31 -0.43 -0.03 3.99 0.00 -0.59 -1.41 107.32 105.54 1nqe s GLY 344 Ca 0.22 1.10 -0.01 0.00 0.00 0.00 0.00 44.72 46.04 1nqe s GLY 344 CO 0.07 0.81 0.05 -2.27 0.00 0.00 0.00 173.10 171.76 1nqe s LEU 345 N -0.92 1.23 -0.01 0.66 0.20 -0.74 -1.44 118.68 117.66 1nqe s LEU 345 Ca -0.09 0.09 -0.02 0.00 0.69 0.00 0.00 54.13 54.80 1nqe s LEU 345 Cb -0.02 0.06 0.00 0.00 -0.43 0.00 0.00 46.19 45.79 1nqe s LEU 345 CO 0.06 -0.10 0.04 -1.58 -0.29 0.00 0.00 176.35 174.49 1nqe s GLN 346 N 0.80 0.10 -0.25 1.98 2.00 -0.17 -1.00 119.66 123.12 1nqe s GLN 346 Ca -0.07 -0.02 -0.04 0.00 -2.00 0.00 0.00 55.36 53.23 1nqe s GLN 346 Cb -0.09 0.04 0.00 0.00 0.80 0.00 0.00 33.01 33.77 1nqe s GLN 346 CO -0.03 -0.02 -0.00 -0.65 -0.50 0.00 0.00 175.29 174.09 1nqe s GLN 347 N -0.19 3.17 -0.17 1.67 -0.21 0.88 -1.27 119.66 123.54 1nqe s GLN 347 Ca -0.02 -0.78 0.01 0.00 0.02 0.00 0.00 55.36 54.59 1nqe s GLN 347 Cb -0.02 -3.13 0.02 0.00 1.00 0.00 0.00 33.01 30.88 1nqe s GLN 347 CO 0.00 -0.32 -0.19 0.54 -2.12 0.00 0.00 175.29 173.20 1nqe s VAL 348 N 1.45 1.94 0.00 1.09 0.11 -0.50 -4.67 120.40 119.81 1nqe s VAL 348 Ca 0.03 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 1nqe s VAL 348 Cb -0.16 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 32.93 1nqe s VAL 348 CO -0.02 0.52 0.00 0.61 -3.33 0.00 0.00 175.10 172.89 1nqe n GLY 349 N 4.59 3.41 0.74 6.54 0.00 -1.26 -0.75 105.19 118.46 1nqe n GLY 349 Ca -0.20 0.24 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1nqe n GLY 349 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nqe n ASP 350 N 6.69 2.29 -4.75 1.61 8.00 -1.26 -4.92 116.55 124.21 1nqe n ASP 350 Ca 0.00 -1.76 -0.32 0.00 0.71 0.00 0.00 54.79 53.41 1nqe n ASP 350 Cb 0.00 -0.03 -0.07 0.00 -0.02 0.00 0.00 41.12 40.99 1nqe n ASP 350 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1nqe s PHE 351 N -1.93 3.19 -0.02 1.24 0.40 0.07 -0.75 117.98 120.17 1nqe s PHE 351 Ca 0.34 0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.83 1nqe s PHE 351 Cb 0.20 -1.69 -0.00 0.00 0.51 0.00 0.00 43.02 42.04 1nqe s PHE 351 CO 0.31 0.52 -0.12 0.99 0.70 0.00 0.00 175.22 177.62 1nqe s THR 352 N -1.20 0.97 -0.04 0.64 2.01 -0.09 -1.42 115.64 116.52 1nqe s THR 352 Ca 0.23 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.76 1nqe s THR 352 Cb -0.12 -0.84 0.01 0.00 0.01 0.00 0.00 72.50 71.56 1nqe s THR 352 CO 0.14 0.29 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.92 1nqe s PHE 353 N -0.02 1.01 -0.04 4.92 0.40 -0.40 -0.15 117.98 123.70 1nqe s PHE 353 Ca -0.00 -0.29 -0.05 0.00 -0.60 0.00 0.00 56.93 55.99 1nqe s PHE 353 Cb -0.08 -0.76 0.01 0.00 0.51 0.00 0.00 43.02 42.71 1nqe s PHE 353 CO 0.00 -0.16 0.12 -2.00 0.70 0.00 0.00 175.22 173.89 1nqe s GLU 354 N 0.47 0.18 0.07 0.44 2.12 -0.52 -1.00 118.70 120.46 1nqe s GLU 354 Ca -0.08 0.11 -0.27 0.00 0.36 0.00 0.00 54.97 55.09 1nqe s GLU 354 Cb -0.12 0.08 0.09 0.00 0.26 0.00 0.00 34.13 34.44 1nqe s GLU 354 CO 0.01 -0.03 0.88 0.20 -0.54 0.00 0.00 175.26 175.78 1nqe s GLY 355 N -0.09 -0.40 0.04 -1.50 0.00 -0.52 -0.50 107.32 104.35 1nqe s GLY 355 Ca -0.02 0.66 -0.25 0.00 0.00 0.00 0.00 44.72 45.11 1nqe s GLY 355 CO 0.00 0.21 0.60 0.00 0.00 0.00 0.00 173.10 173.90 1nqe s ALA 356 N -3.25 -1.55 -0.17 3.20 0.00 -0.61 -1.54 121.76 117.83 1nqe s ALA 356 Ca 0.07 0.82 -0.18 0.00 0.00 0.00 0.00 51.96 52.66 1nqe s ALA 356 Cb -0.01 0.39 0.05 0.00 0.00 0.00 0.00 23.12 23.54 1nqe s ALA 356 CO -0.06 -0.53 0.51 0.00 0.00 0.00 0.00 175.76 175.69 1nqe s ALA 357 N -2.36 -1.27 -0.00 0.00 0.00 -0.63 -1.21 121.76 116.29 1nqe s ALA 357 Ca -0.06 1.37 -0.01 0.00 0.00 0.00 0.00 51.96 53.27 1nqe s ALA 357 Cb -0.01 -0.74 -0.00 0.00 0.00 0.00 0.00 23.12 22.37 1nqe s ALA 357 CO -0.01 -0.25 0.02 0.50 0.00 0.00 0.00 175.76 176.02 1nqe s ARG 358 N 0.08 0.11 -0.14 0.00 3.52 -0.06 -1.45 118.95 121.01 1nqe s ARG 358 Ca -0.02 -0.12 0.02 0.00 -0.13 0.00 0.00 55.73 55.49 1nqe s ARG 358 Cb -0.03 0.04 0.01 0.00 -1.56 0.00 0.00 34.95 33.41 1nqe s ARG 358 CO 0.01 -0.02 -0.21 0.45 -0.81 0.00 0.00 175.30 174.72 1nqe s SER 359 N -0.35 3.09 -0.02 -2.12 0.15 0.46 -1.38 113.70 113.52 1nqe s SER 359 Ca -0.04 -0.60 0.03 0.00 0.70 0.00 0.00 55.95 56.03 1nqe s SER 359 Cb -0.03 -1.44 -0.03 0.00 -1.71 0.00 0.00 66.02 62.82 1nqe s SER 359 CO -0.00 0.07 -0.08 -1.81 1.20 0.00 0.00 173.24 172.62 1nqe s ASP 360 N 0.89 4.55 -0.23 5.45 1.11 -0.71 -0.50 116.67 127.24 1nqe s ASP 360 Ca -0.05 -0.12 0.00 0.00 0.18 0.00 0.00 52.55 52.56 1nqe s ASP 360 Cb -0.15 -1.07 0.06 0.00 1.07 0.00 0.00 42.92 42.83 1nqe s ASP 360 CO -0.04 0.31 -0.05 -0.62 1.18 0.00 0.00 175.17 175.96 1nqe s ASP 361 N -1.16 3.72 -0.10 0.27 2.15 -0.15 -0.14 116.67 121.26 1nqe s ASP 361 Ca 0.15 -1.11 -0.02 0.00 0.43 0.00 0.00 52.55 51.99 1nqe s ASP 361 Cb -0.11 -1.13 -0.03 0.00 -0.30 0.00 0.00 42.92 41.35 1nqe s ASP 361 CO 0.05 -0.23 -0.01 0.21 -0.17 0.00 0.00 175.17 175.02 1nqe s ASN 362 N 1.44 5.14 0.50 -0.34 2.47 0.19 -1.59 114.94 122.75 1nqe s ASN 362 Ca -0.05 0.08 0.34 0.00 0.42 0.00 0.00 52.86 53.65 1nqe s ASN 362 Cb -0.18 -1.54 1.75 0.00 -1.45 0.00 0.00 41.25 39.83 1nqe s ASN 362 CO -0.06 0.33 2.04 0.77 -3.72 0.00 0.00 177.10 176.45 1nqe h SER 363 N 5.54 0.00 0.00 -4.21 4.64 -1.22 0.32 113.55 118.62 1nqe h SER 363 Ca -0.46 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.54 1nqe h SER 363 Cb 1.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 1nqe h SER 363 CO 0.57 0.00 -2.03 1.67 -0.87 0.00 0.00 176.83 176.17 1nqe n GLN 364 N -2.75 0.53 0.00 4.77 0.00 -1.26 -4.73 117.38 113.95 1nqe n GLN 364 Ca -0.01 0.23 0.11 0.00 -0.00 0.00 0.00 57.00 57.32 1nqe n GLN 364 Cb 0.11 -1.40 -0.02 0.00 0.00 0.00 0.00 30.24 28.93 1nqe n GLN 364 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1nqe n PHE 365 N -4.22 0.00 -1.95 3.69 1.16 -1.16 -4.99 117.46 109.98 1nqe n PHE 365 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.17 1nqe n PHE 365 Cb 0.76 -0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.63 1nqe n PHE 365 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1nqe n GLY 366 N 1.43 0.60 3.74 4.97 0.00 0.11 -4.91 105.19 111.14 1nqe n GLY 366 Ca 0.08 -1.14 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 1nqe n GLY 366 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nqe s ARG 367 N 0.00 4.24 -0.06 1.61 3.52 -1.26 0.54 118.95 127.55 1nqe s ARG 367 Ca 0.00 0.36 -0.02 0.00 -0.13 0.00 0.00 55.73 55.93 1nqe s ARG 367 Cb 0.00 -3.39 0.04 0.00 -1.56 0.00 0.00 34.95 30.03 1nqe s ARG 367 CO 0.00 0.27 0.12 -1.58 -0.81 0.00 0.00 175.30 173.31 1nqe s HIS 368 N 0.28 -0.12 -0.02 5.12 2.46 0.81 -5.00 115.29 118.81 1nqe s HIS 368 Ca 0.23 0.43 -0.01 0.00 0.47 0.00 0.00 55.06 56.19 1nqe s HIS 368 Cb -0.15 -0.15 -0.04 0.00 -0.13 0.00 0.00 32.58 32.12 1nqe s HIS 368 CO 0.09 -0.17 0.06 0.20 -2.47 0.00 0.00 174.74 172.46 1nqe s GLY 369 N 1.33 1.98 0.11 1.59 0.00 -1.26 -1.73 107.32 109.33 1nqe s GLY 369 Ca -0.07 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 43.81 1nqe s GLY 369 CO -0.05 -0.72 -0.08 -0.51 0.00 0.00 0.00 173.10 171.73 1nqe s THR 370 N -1.13 0.86 0.12 0.90 -4.23 -0.48 -4.98 115.64 106.70 1nqe s THR 370 Ca 0.21 -1.84 -0.21 0.00 -1.18 0.00 0.00 61.69 58.67 1nqe s THR 370 Cb -0.12 -1.57 0.06 0.00 1.34 0.00 0.00 72.50 72.20 1nqe s THR 370 CO 0.11 -0.74 0.53 -1.66 -0.54 0.00 0.00 174.62 172.33 1nqe s TRP 371 N -3.12 -0.43 0.02 3.99 1.48 -1.26 -0.88 118.94 118.74 1nqe s TRP 371 Ca 0.10 0.27 -0.15 0.00 -1.06 0.00 0.00 56.10 55.26 1nqe s TRP 371 Cb 0.02 0.43 0.02 0.00 -1.16 0.00 0.00 33.47 32.78 1nqe s TRP 371 CO -0.02 -0.76 0.33 1.14 -4.06 0.00 0.00 176.95 173.58 1nqe s GLN 372 N -3.39 0.79 -0.10 3.25 -2.07 -0.35 -0.74 119.66 117.04 1nqe s GLN 372 Ca -0.00 -0.38 -0.10 0.00 -1.82 0.00 0.00 55.36 53.06 1nqe s GLN 372 Cb -0.00 0.34 0.03 0.00 -1.09 0.00 0.00 33.01 32.29 1nqe s GLN 372 CO -0.09 -0.24 0.28 0.99 -1.32 0.00 0.00 175.29 174.90 1nqe s THR 373 N -2.14 0.00 0.03 3.63 2.01 -0.10 -1.57 115.64 117.49 1nqe s THR 373 Ca -0.08 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 61.93 1nqe s THR 373 Cb -0.02 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.07 1nqe s THR 373 CO -0.01 -0.01 -0.08 -0.44 -0.69 0.00 0.00 174.62 173.40 1nqe s SER 374 N 0.10 0.85 -0.02 3.53 0.01 0.34 -1.24 113.70 117.27 1nqe s SER 374 Ca -0.00 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 56.87 1nqe s SER 374 Cb -0.02 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.21 1nqe s SER 374 CO 0.00 -0.10 -0.06 0.00 0.41 0.00 0.00 173.24 173.49 1nqe s ALA 375 N -0.94 0.64 -0.04 1.44 0.00 -0.37 -1.43 121.76 121.05 1nqe s ALA 375 Ca -0.05 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 51.75 1nqe s ALA 375 Cb -0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 1nqe s ALA 375 CO 0.00 0.09 -0.21 0.20 0.00 0.00 0.00 175.76 175.85 1nqe s GLY 376 N 0.23 1.39 -0.24 0.00 0.00 0.79 -1.41 107.32 108.08 1nqe s GLY 376 Ca -0.03 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.67 1nqe s GLY 376 CO -0.00 -0.80 -0.11 0.86 0.00 0.00 0.00 173.10 173.05 1nqe s TRP 377 N -0.55 3.02 -1.22 1.90 -0.00 0.20 -0.91 118.94 121.38 1nqe s TRP 377 Ca 0.08 -2.11 -0.19 0.00 -0.00 0.00 0.00 56.10 53.88 1nqe s TRP 377 Cb -0.11 -1.85 0.08 0.00 -0.00 0.00 0.00 33.47 31.59 1nqe s TRP 377 CO 0.01 -0.85 1.63 -2.00 -0.00 0.00 0.00 176.95 175.74 1nqe s GLU 378 N 1.19 3.91 0.42 5.86 2.12 0.07 -1.72 118.70 130.55 1nqe s GLU 378 Ca -0.06 -1.89 0.22 0.00 0.36 0.00 0.00 54.97 53.60 1nqe s GLU 378 Cb -0.19 -5.43 0.86 0.00 0.26 0.00 0.00 34.13 29.63 1nqe s GLU 378 CO -0.06 -2.18 1.81 0.27 -0.54 0.00 0.00 175.26 174.55 1nqe h PHE 379 N 7.99 0.00 -3.77 5.30 -5.15 -1.82 -3.43 116.94 116.06 1nqe h PHE 379 Ca 0.38 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 58.02 1nqe h PHE 379 Cb 0.90 0.00 -0.18 0.00 0.22 0.00 0.00 35.95 36.89 1nqe h PHE 379 CO 1.36 0.28 -0.52 0.42 -2.00 0.00 0.00 178.31 177.85 1nqe s ILE 380 N -3.69 0.13 0.20 0.88 1.01 -1.25 -5.07 121.20 113.41 1nqe s ILE 380 Ca 0.00 -1.04 -0.32 0.00 0.00 0.00 0.00 60.65 59.29 1nqe s ILE 380 Cb 0.11 -0.83 -0.12 0.00 0.01 0.00 0.00 42.46 41.63 1nqe s ILE 380 CO 0.65 -0.57 1.74 -0.70 0.00 0.00 0.00 174.94 176.07 1nqe s GLU 381 N -2.44 4.12 0.00 2.79 2.12 -1.26 -1.34 118.70 122.69 1nqe s GLU 381 Ca -0.06 2.62 0.00 0.00 0.36 0.00 0.00 54.97 57.88 1nqe s GLU 381 Cb -0.02 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.22 1nqe s GLU 381 CO -0.04 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.32 1nqe n GLY 382 N 4.03 1.09 3.11 -1.50 0.00 -1.26 -4.98 105.19 105.68 1nqe n GLY 382 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1nqe n GLY 382 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nqe s TYR 383 N -2.85 1.36 -0.02 1.61 1.51 -0.45 -1.42 117.35 117.09 1nqe s TYR 383 Ca 0.00 -0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 55.76 1nqe s TYR 383 Cb 0.00 -0.89 0.01 0.00 -0.11 0.00 0.00 41.96 40.97 1nqe s TYR 383 CO 0.00 -0.05 0.05 0.50 -1.11 0.00 0.00 175.55 174.94 1nqe s ARG 384 N -0.24 0.04 -0.14 -0.62 3.52 -0.24 -2.94 118.95 118.33 1nqe s ARG 384 Ca 0.04 0.11 -0.08 0.00 -0.13 0.00 0.00 55.73 55.66 1nqe s ARG 384 Cb -0.07 -0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.24 1nqe s ARG 384 CO -0.00 -0.05 0.14 0.12 -0.81 0.00 0.00 175.30 174.70 1nqe s PHE 385 N 0.28 3.55 -0.04 5.12 5.36 -0.70 -0.94 117.98 130.62 1nqe s PHE 385 Ca -0.02 0.48 0.02 0.00 -0.96 0.00 0.00 56.93 56.45 1nqe s PHE 385 Cb -0.03 -2.00 0.01 0.00 -0.34 0.00 0.00 43.02 40.66 1nqe s PHE 385 CO -0.01 0.62 -0.09 0.42 -1.46 0.00 0.00 175.22 174.70 1nqe s ILE 386 N -0.67 0.86 -0.02 3.12 1.01 -0.21 -0.62 121.20 124.67 1nqe s ILE 386 Ca 0.13 -0.35 0.07 0.00 0.00 0.00 0.00 60.65 60.50 1nqe s ILE 386 Cb -0.12 -0.79 -0.02 0.00 0.01 0.00 0.00 42.46 41.54 1nqe s ILE 386 CO 0.03 0.28 -0.22 0.00 0.00 0.00 0.00 174.94 175.03 1nqe s ALA 387 N 0.52 1.80 0.01 9.38 0.00 -0.50 -0.71 121.76 132.26 1nqe s ALA 387 Ca -0.09 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1nqe s ALA 387 Cb -0.13 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 1nqe s ALA 387 CO 0.02 0.44 -0.03 -1.12 0.00 0.00 0.00 175.76 175.07 1nqe s SER 388 N -0.50 0.27 -0.02 0.00 0.01 0.59 -1.24 113.70 112.82 1nqe s SER 388 Ca 0.08 -0.32 -0.02 0.00 1.31 0.00 0.00 55.95 57.00 1nqe s SER 388 Cb -0.08 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1nqe s SER 388 CO -0.01 -0.16 0.05 -0.47 0.41 0.00 0.00 173.24 173.06 1nqe s TYR 389 N -0.88 -0.02 -0.08 2.43 5.04 -0.37 -1.36 117.35 122.10 1nqe s TYR 389 Ca -0.09 0.06 -0.30 0.00 -2.44 0.00 0.00 57.07 54.30 1nqe s TYR 389 Cb -0.06 -0.01 0.10 0.00 0.35 0.00 0.00 41.96 42.34 1nqe s TYR 389 CO -0.00 -0.06 0.86 0.20 -1.34 0.00 0.00 175.55 175.20 1nqe s GLY 390 N -0.23 -0.41 0.15 8.97 0.00 -0.48 -0.93 107.32 114.40 1nqe s GLY 390 Ca -0.03 1.56 0.07 0.00 0.00 0.00 0.00 44.72 46.33 1nqe s GLY 390 CO 0.00 0.84 -0.04 -0.51 0.00 0.00 0.00 173.10 173.40 1nqe s THR 391 N -1.63 3.59 0.31 0.90 -4.23 0.08 -0.88 115.64 113.78 1nqe s THR 391 Ca -0.03 -1.40 -0.18 0.00 -1.18 0.00 0.00 61.69 58.90 1nqe s THR 391 Cb -0.00 -2.77 0.03 0.00 1.34 0.00 0.00 72.50 71.09 1nqe s THR 391 CO 0.01 -0.05 0.71 -0.94 -0.54 0.00 0.00 174.62 173.81 1nqe s SER 392 N -2.73 -0.14 0.17 3.99 1.04 -0.64 -4.15 113.70 111.24 1nqe s SER 392 Ca 0.26 -0.81 -0.17 0.00 0.48 0.00 0.00 55.95 55.70 1nqe s SER 392 Cb -0.10 0.75 0.03 0.00 0.10 0.00 0.00 66.02 66.80 1nqe s SER 392 CO 0.17 -1.42 0.47 -0.72 0.98 0.00 0.00 173.24 172.72 1nqe s TYR 393 N -3.47 -0.16 -0.08 5.02 -0.85 -1.26 -0.27 117.35 116.29 1nqe s TYR 393 Ca 0.14 -0.17 0.01 0.00 -0.52 0.00 0.00 57.07 56.53 1nqe s TYR 393 Cb -0.05 0.33 0.02 0.00 0.38 0.00 0.00 41.96 42.64 1nqe s TYR 393 CO 0.09 -0.82 -0.09 0.21 -1.52 0.00 0.00 175.55 173.41 1nqe s LYS 394 N -3.84 1.47 0.41 -3.49 2.47 0.23 -0.85 119.74 116.14 1nqe s LYS 394 Ca 0.07 -0.29 -0.24 0.00 -1.56 0.00 0.00 55.97 53.94 1nqe s LYS 394 Cb 0.00 -1.38 -0.08 0.00 -1.46 0.00 0.00 37.83 34.91 1nqe s LYS 394 CO -0.07 -0.11 1.12 0.00 0.16 0.00 0.00 175.35 176.45 1nqe s ALA 395 N 1.15 3.10 0.50 3.13 0.00 -1.26 -0.87 121.76 127.51 1nqe s ALA 395 Ca -0.06 0.86 -0.23 0.00 0.00 0.00 0.00 51.96 52.54 1nqe s ALA 395 Cb -0.14 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 1nqe s ALA 395 CO -0.02 -0.43 1.21 -2.30 0.00 0.00 0.00 175.76 174.23 1nqe n PRO 396 N -0.06 1.58 -2.69 0.00 -0.02 -1.26 -4.90 135.00 127.66 1nqe n PRO 396 Ca 0.05 0.57 -0.21 0.00 -2.02 0.00 0.00 63.50 61.89 1nqe n PRO 396 Cb 0.48 -2.37 0.06 0.00 -0.02 0.00 0.00 33.50 31.65 1nqe n PRO 396 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1nqe s ASN 397 N -0.83 4.96 0.18 2.55 2.20 -1.26 -4.95 114.94 117.79 1nqe s ASN 397 Ca 0.68 -0.25 -0.16 0.00 -0.94 0.00 0.00 52.86 52.19 1nqe s ASN 397 Cb -0.46 -0.44 0.15 0.00 -2.00 0.00 0.00 41.25 38.50 1nqe s ASN 397 CO 0.53 -1.39 1.66 -0.07 -2.94 0.00 0.00 177.10 174.88 1nqe h LEU 398 N -0.09 -0.42 -0.81 3.54 -0.00 -1.91 -1.89 115.31 113.74 1nqe h LEU 398 Ca -0.39 0.14 -0.08 0.00 -0.00 0.00 0.00 57.88 57.55 1nqe h LEU 398 Cb 1.28 0.29 -0.02 0.00 -0.00 0.00 0.00 40.66 42.21 1nqe h LEU 398 CO 0.46 -0.15 -0.00 1.23 -0.00 0.00 0.00 178.44 179.98 1nqe h GLY 399 N 0.01 0.96 2.00 0.83 0.00 -1.86 0.20 103.07 105.22 1nqe h GLY 399 Ca 0.23 -0.67 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 1nqe h GLY 399 CO -0.48 0.62 -0.48 1.46 0.00 0.00 0.00 176.54 177.66 1nqe h GLN 400 N 0.83 0.00 0.09 4.80 4.20 -1.84 -1.28 115.11 121.90 1nqe h GLN 400 Ca 0.16 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.55 1nqe h GLN 400 Cb 0.49 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 1nqe h GLN 400 CO 0.02 0.48 -1.68 -0.07 -0.67 0.00 0.00 178.83 176.91 1nqe h LEU 401 N 0.00 0.28 -1.61 1.46 3.38 -0.82 0.15 115.31 118.16 1nqe h LEU 401 Ca -0.00 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1nqe h LEU 401 Cb 0.88 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1nqe h LEU 401 CO 0.06 1.71 0.00 -1.22 0.09 0.00 0.00 178.44 179.08 1nqe n TYR 402 N -3.85 0.00 -1.34 1.13 4.02 0.67 -2.01 117.16 115.78 1nqe n TYR 402 Ca -0.31 -0.19 -0.10 0.00 -0.01 0.00 0.00 57.90 57.29 1nqe n TYR 402 Cb 0.91 -0.02 0.07 0.00 -0.02 0.00 0.00 39.34 40.28 1nqe n TYR 402 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nqe n GLY 403 N -0.19 -1.20 0.39 2.72 0.00 -0.48 -4.59 105.19 101.83 1nqe n GLY 403 Ca 0.00 -1.69 0.19 0.00 0.00 0.00 0.00 46.02 44.52 1nqe n GLY 403 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1nqe h PHE 404 N -1.24 0.74 -0.46 1.61 -0.00 -1.82 0.66 116.94 116.43 1nqe h PHE 404 Ca -0.14 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 57.85 1nqe h PHE 404 Cb 0.40 -0.22 0.00 0.00 -0.00 0.00 0.00 35.95 36.13 1nqe h PHE 404 CO 0.00 0.12 0.00 0.66 -0.00 0.00 0.00 178.31 179.09 1nqe n TYR 405 N -4.64 1.29 -1.73 0.41 4.02 -1.26 -4.98 117.16 110.26 1nqe n TYR 405 Ca 0.23 -0.71 -0.35 0.00 -0.01 0.00 0.00 57.90 57.06 1nqe n TYR 405 Cb 0.76 -0.30 0.06 0.00 -0.02 0.00 0.00 39.34 39.84 1nqe n TYR 405 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1nqe s GLY 406 N -1.25 2.52 -0.24 2.72 0.00 0.22 -1.66 107.32 109.63 1nqe s GLY 406 Ca 0.45 0.92 -0.04 0.00 0.00 0.00 0.00 44.72 46.05 1nqe s GLY 406 CO 0.16 1.31 0.13 0.21 0.00 0.00 0.00 173.10 174.91 1nqe s ASN 407 N -1.87 2.94 0.00 1.64 3.04 0.04 -4.71 114.94 116.02 1nqe s ASN 407 Ca 0.75 -0.98 0.22 0.00 0.04 0.00 0.00 52.86 52.89 1nqe s ASN 407 Cb -0.29 -0.24 1.07 0.00 -1.54 0.00 0.00 41.25 40.25 1nqe s ASN 407 CO 0.39 -0.40 1.71 -0.81 -3.04 0.00 0.00 177.10 174.96 1nqe n PRO 408 N 5.27 0.23 -0.71 0.43 -0.04 -1.10 -2.46 135.00 136.62 1nqe n PRO 408 Ca -0.06 0.09 0.08 0.00 -0.04 0.00 0.00 63.50 63.57 1nqe n PRO 408 Cb 0.45 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.76 1nqe n PRO 408 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1nqe n ASN 409 N -1.34 5.00 -4.74 3.54 3.02 -1.26 -4.94 115.26 114.54 1nqe n ASN 409 Ca 0.09 -2.85 -0.37 0.00 -0.03 0.00 0.00 54.58 51.42 1nqe n ASN 409 Cb 0.20 -0.62 0.06 0.00 -0.61 0.00 0.00 39.78 38.81 1nqe n ASN 409 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1nqe s LEU 410 N -2.59 3.64 0.35 3.41 1.43 -1.03 -5.04 118.68 118.86 1nqe s LEU 410 Ca 0.50 2.64 0.07 0.00 -1.03 0.00 0.00 54.13 56.30 1nqe s LEU 410 Cb 0.37 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.05 1nqe s LEU 410 CO 0.15 -1.88 0.48 -1.81 0.23 0.00 0.00 176.35 173.53 1nqe s ASP 411 N -1.31 5.86 0.67 2.29 1.01 -1.26 -4.76 116.67 119.17 1nqe s ASP 411 Ca 0.80 -0.26 -0.16 0.00 0.71 0.00 0.00 52.55 53.63 1nqe s ASP 411 Cb -0.38 -1.08 0.01 0.00 1.01 0.00 0.00 42.92 42.48 1nqe s ASP 411 CO 0.41 -0.50 1.20 -2.84 0.21 0.00 0.00 175.17 173.64 1nqe s PRO 412 N -4.20 2.52 0.25 8.23 0.02 -1.26 -4.60 135.00 135.96 1nqe s PRO 412 Ca 0.47 1.74 -0.30 0.00 0.02 0.00 0.00 61.00 62.94 1nqe s PRO 412 Cb -0.09 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.45 1nqe s PRO 412 CO 0.31 -1.54 1.12 -1.21 -0.33 0.00 0.00 177.00 175.35 1nqe s GLU 413 N -3.72 4.61 -0.04 5.54 2.02 -0.05 -4.84 118.70 122.22 1nqe s GLU 413 Ca 0.75 1.81 0.07 0.00 0.02 0.00 0.00 54.97 57.62 1nqe s GLU 413 Cb -0.29 -3.20 -0.01 0.00 0.10 0.00 0.00 34.13 30.72 1nqe s GLU 413 CO 0.40 0.14 -0.24 0.15 0.02 0.00 0.00 175.26 175.73 1nqe s LYS 414 N -1.14 2.24 0.00 1.61 1.02 -0.71 -0.60 119.74 122.16 1nqe s LYS 414 Ca 0.46 -0.87 0.07 0.00 0.02 0.00 0.00 55.97 55.65 1nqe s LYS 414 Cb -0.32 -2.01 -0.02 0.00 -0.52 0.00 0.00 37.83 34.96 1nqe s LYS 414 CO 0.40 0.44 -0.21 0.45 -0.92 0.00 0.00 175.35 175.51 1nqe s SER 415 N -0.33 2.45 -0.10 2.83 0.15 0.63 -0.33 113.70 119.00 1nqe s SER 415 Ca 0.02 -0.43 0.03 0.00 0.70 0.00 0.00 55.95 56.28 1nqe s SER 415 Cb -0.12 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 1nqe s SER 415 CO 0.02 0.22 -0.21 -0.54 1.20 0.00 0.00 173.24 173.93 1nqe s LYS 416 N -0.73 2.76 -0.01 5.44 1.02 -0.49 -1.61 119.74 126.12 1nqe s LYS 416 Ca 0.08 -0.78 0.05 0.00 0.02 0.00 0.00 55.97 55.34 1nqe s LYS 416 Cb -0.08 -2.14 -0.01 0.00 -0.52 0.00 0.00 37.83 35.08 1nqe s LYS 416 CO 0.00 0.11 -0.15 -0.65 -0.92 0.00 0.00 175.35 173.75 1nqe s GLN 417 N 0.50 1.21 -0.03 1.68 -0.21 -0.06 -0.20 119.66 122.55 1nqe s GLN 417 Ca -0.16 -0.53 0.07 0.00 0.02 0.00 0.00 55.36 54.75 1nqe s GLN 417 Cb -0.17 -1.17 -0.01 0.00 1.00 0.00 0.00 33.01 32.66 1nqe s GLN 417 CO 0.06 0.32 -0.23 -1.58 -2.12 0.00 0.00 175.29 171.74 1nqe s TRP 418 N -0.35 2.11 -0.09 0.91 0.51 -0.48 -1.38 118.94 120.17 1nqe s TRP 418 Ca 0.06 -0.48 -0.08 0.00 -2.12 0.00 0.00 56.10 53.48 1nqe s TRP 418 Cb -0.06 -1.37 0.02 0.00 -0.81 0.00 0.00 33.47 31.25 1nqe s TRP 418 CO -0.01 -0.09 0.24 -2.00 -0.51 0.00 0.00 176.95 174.58 1nqe s GLU 419 N -0.39 0.27 0.01 4.98 2.12 -0.47 -1.21 118.70 124.02 1nqe s GLU 419 Ca 0.05 0.34 0.04 0.00 0.36 0.00 0.00 54.97 55.75 1nqe s GLU 419 Cb -0.10 0.12 -0.01 0.00 0.26 0.00 0.00 34.13 34.40 1nqe s GLU 419 CO 0.00 -0.04 -0.12 0.20 -0.54 0.00 0.00 175.26 174.77 1nqe s GLY 420 N 0.17 0.61 -0.01 -1.50 0.00 -0.43 -0.30 107.32 105.87 1nqe s GLY 420 Ca -0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 44.72 43.99 1nqe s GLY 420 CO -0.00 -0.55 0.26 0.00 0.00 0.00 0.00 173.10 172.82 1nqe s ALA 421 N -0.51 -0.66 -0.07 3.20 0.00 0.11 -1.07 121.76 122.76 1nqe s ALA 421 Ca 0.03 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.23 1nqe s ALA 421 Cb -0.06 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 1nqe s ALA 421 CO 0.00 -0.25 -0.24 -0.06 0.00 0.00 0.00 175.76 175.22 1nqe s PHE 422 N -1.35 2.50 0.03 0.00 0.40 -0.18 -1.05 117.98 118.34 1nqe s PHE 422 Ca -0.14 -0.80 0.05 0.00 -0.60 0.00 0.00 56.93 55.43 1nqe s PHE 422 Cb -0.06 -1.64 -0.02 0.00 0.51 0.00 0.00 43.02 41.81 1nqe s PHE 422 CO 0.04 -0.27 -0.13 -1.83 0.70 0.00 0.00 175.22 173.72 1nqe s GLU 423 N -0.00 0.91 0.18 0.44 -1.05 -0.11 -1.23 118.70 117.84 1nqe s GLU 423 Ca -0.08 -0.71 -0.15 0.00 -0.15 0.00 0.00 54.97 53.88 1nqe s GLU 423 Cb -0.15 -0.90 0.02 0.00 -0.44 0.00 0.00 34.13 32.66 1nqe s GLU 423 CO 0.05 0.22 0.44 0.20 0.95 0.00 0.00 175.26 177.13 1nqe s GLY 424 N -1.04 0.08 -0.25 -3.83 0.00 -0.54 -1.08 107.32 100.66 1nqe s GLY 424 Ca 0.01 -0.42 0.02 0.00 0.00 0.00 0.00 44.72 44.33 1nqe s GLY 424 CO 0.01 -0.44 -0.09 -2.27 0.00 0.00 0.00 173.10 170.30 1nqe s LEU 425 N -2.90 3.10 -0.09 0.66 0.20 -0.51 -0.98 118.68 118.17 1nqe s LEU 425 Ca 0.11 -1.30 -0.01 0.00 0.69 0.00 0.00 54.13 53.63 1nqe s LEU 425 Cb 0.00 -1.42 0.03 0.00 -0.43 0.00 0.00 46.19 44.37 1nqe s LEU 425 CO -0.02 -0.20 -0.03 0.28 -0.29 0.00 0.00 176.35 176.09 1nqe s THR 426 N 1.21 0.63 -1.42 3.68 -1.32 -0.00 -4.85 115.64 113.56 1nqe s THR 426 Ca -0.08 -0.05 -0.03 0.00 -1.21 0.00 0.00 61.69 60.33 1nqe s THR 426 Cb -0.19 -0.73 0.02 0.00 -1.51 0.00 0.00 72.50 70.09 1nqe s THR 426 CO -0.06 0.30 0.54 0.00 -2.21 0.00 0.00 174.62 173.19 1nqe n ALA 427 N 5.01 -1.90 -0.25 11.08 0.00 -1.26 -0.49 120.51 132.70 1nqe n ALA 427 Ca -0.10 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1nqe n ALA 427 Cb 0.50 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1nqe n ALA 427 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqe n GLY 428 N -1.84 1.50 3.55 0.00 0.00 -1.26 -5.02 105.19 102.12 1nqe n GLY 428 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 1nqe n GLY 428 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqe s VAL 429 N -2.90 4.82 -0.25 1.61 1.01 0.36 -4.52 120.40 120.53 1nqe s VAL 429 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 1nqe s VAL 429 Cb 0.00 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1nqe s VAL 429 CO 0.00 0.34 0.63 0.20 0.00 0.00 0.00 175.10 176.28 1nqe s ASN 430 N 1.30 6.59 0.12 3.32 0.01 -0.81 -0.82 114.94 124.65 1nqe s ASN 430 Ca 0.06 0.72 0.00 0.00 -0.71 0.00 0.00 52.86 52.93 1nqe s ASN 430 Cb -0.15 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 1nqe s ASN 430 CO 0.05 -0.37 0.00 -1.66 -1.51 0.00 0.00 177.10 173.61 1nqe s TRP 431 N 2.48 0.87 -0.22 2.20 1.48 -0.15 -1.27 118.94 124.34 1nqe s TRP 431 Ca 0.26 -1.09 -0.22 0.00 -1.06 0.00 0.00 56.10 54.00 1nqe s TRP 431 Cb -0.15 -0.52 0.06 0.00 -1.16 0.00 0.00 33.47 31.70 1nqe s TRP 431 CO 0.08 -0.35 0.62 0.50 -4.06 0.00 0.00 176.95 173.74 1nqe s ARG 432 N -3.95 0.73 -0.03 3.25 3.52 -0.65 -1.47 118.95 120.35 1nqe s ARG 432 Ca 0.18 0.82 0.02 0.00 -0.13 0.00 0.00 55.73 56.62 1nqe s ARG 432 Cb 0.07 0.36 0.01 0.00 -1.56 0.00 0.00 34.95 33.83 1nqe s ARG 432 CO -0.01 -0.10 -0.07 -1.50 -0.81 0.00 0.00 175.30 172.81 1nqe s ILE 433 N 0.25 0.69 0.02 4.11 2.07 -0.36 -0.44 121.20 127.54 1nqe s ILE 433 Ca -0.01 -0.27 0.04 0.00 -1.41 0.00 0.00 60.65 59.01 1nqe s ILE 433 Cb -0.04 -0.64 -0.02 0.00 0.13 0.00 0.00 42.46 41.89 1nqe s ILE 433 CO 0.01 0.23 -0.13 -0.44 -1.91 0.00 0.00 174.94 172.71 1nqe s SER 434 N 0.47 1.52 -0.08 4.50 0.01 -0.35 -1.01 113.70 118.75 1nqe s SER 434 Ca -0.07 -0.38 0.04 0.00 1.31 0.00 0.00 55.95 56.84 1nqe s SER 434 Cb -0.11 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.00 1nqe s SER 434 CO 0.01 0.06 -0.19 -0.83 0.41 0.00 0.00 173.24 172.69 1nqe s GLY 435 N -0.88 1.42 0.07 3.44 0.00 -0.23 -1.45 107.32 109.68 1nqe s GLY 435 Ca 0.02 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.79 1nqe s GLY 435 CO 0.01 -0.50 -0.09 -2.52 0.00 0.00 0.00 173.10 170.00 1nqe s TYR 436 N -0.06 0.87 -0.05 1.90 1.13 -0.44 -1.32 117.35 119.37 1nqe s TYR 436 Ca -0.05 -0.62 0.03 0.00 -1.41 0.00 0.00 57.07 55.02 1nqe s TYR 436 Cb -0.14 -0.50 0.01 0.00 -1.10 0.00 0.00 41.96 40.23 1nqe s TYR 436 CO 0.04 -0.06 -0.12 0.50 -2.51 0.00 0.00 175.55 173.40 1nqe s ARG 437 N -2.34 1.57 -0.19 -3.49 3.52 -0.35 -1.03 118.95 116.63 1nqe s ARG 437 Ca -0.01 -0.42 -0.01 0.00 -0.13 0.00 0.00 55.73 55.16 1nqe s ARG 437 Cb -0.05 -1.33 0.05 0.00 -1.56 0.00 0.00 34.95 32.06 1nqe s ARG 437 CO -0.01 0.08 -0.03 1.21 -0.81 0.00 0.00 175.30 175.75 1nqe s ASN 438 N 0.47 3.16 -0.33 -2.12 3.84 0.19 -1.38 114.94 118.76 1nqe s ASN 438 Ca -0.11 -0.86 -0.14 0.00 0.21 0.00 0.00 52.86 51.97 1nqe s ASN 438 Cb -0.14 -0.90 -0.02 0.00 -0.55 0.00 0.00 41.25 39.64 1nqe s ASN 438 CO 0.03 -0.24 0.28 -1.81 -2.79 0.00 0.00 177.10 172.57 1nqe s ASP 439 N 1.63 6.10 -0.12 -4.21 -0.00 0.72 -0.98 116.67 119.80 1nqe s ASP 439 Ca -0.02 -0.31 -0.02 0.00 -0.00 0.00 0.00 52.55 52.20 1nqe s ASP 439 Cb -0.17 -2.16 -0.03 0.00 -0.00 0.00 0.00 42.92 40.57 1nqe s ASP 439 CO -0.07 -0.25 -0.04 -0.69 -0.00 0.00 0.00 175.17 174.11 1nqe s VAL 440 N 1.83 3.86 0.28 -1.27 1.01 0.45 -1.40 120.40 125.17 1nqe s VAL 440 Ca 0.08 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1nqe s VAL 440 Cb -0.17 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 1nqe s VAL 440 CO 0.11 0.53 0.12 -0.94 0.00 0.00 0.00 175.10 174.92 1nqe s SER 441 N -0.09 1.42 -1.50 3.32 1.04 0.56 -1.08 113.70 117.37 1nqe s SER 441 Ca 0.02 -1.46 -0.05 0.00 0.48 0.00 0.00 55.95 54.94 1nqe s SER 441 Cb -0.13 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.26 1nqe s SER 441 CO 0.03 -0.79 0.46 0.47 0.98 0.00 0.00 173.24 174.38 1nqe n ASP 442 N -0.68 -5.47 -4.76 7.02 10.43 -1.08 -1.74 116.55 120.27 1nqe n ASP 442 Ca 0.00 -0.23 -0.41 0.00 2.57 0.00 0.00 54.79 56.72 1nqe n ASP 442 Cb 0.66 -4.47 -0.02 0.00 1.84 0.00 0.00 41.12 39.13 1nqe n ASP 442 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1nqe s LEU 443 N -6.48 4.39 -0.44 0.64 1.43 -0.88 -4.16 118.68 113.18 1nqe s LEU 443 Ca 0.26 2.72 -0.25 0.00 -1.03 0.00 0.00 54.13 55.82 1nqe s LEU 443 Cb -0.12 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.49 1nqe s LEU 443 CO 0.32 -0.65 0.92 -0.63 0.23 0.00 0.00 176.35 176.54 1nqe s ILE 444 N -0.59 4.50 0.05 -0.59 1.01 -1.26 -1.09 121.20 123.22 1nqe s ILE 444 Ca 0.54 0.83 0.06 0.00 0.00 0.00 0.00 60.65 62.08 1nqe s ILE 444 Cb -0.42 -4.41 -0.03 0.00 0.01 0.00 0.00 42.46 37.62 1nqe s ILE 444 CO 0.50 -0.77 -0.17 -1.81 0.00 0.00 0.00 174.94 172.68 1nqe s ASP 445 N 2.19 2.07 0.10 3.58 1.01 0.27 -4.90 116.67 121.00 1nqe s ASP 445 Ca 0.37 -0.52 -0.31 0.00 0.71 0.00 0.00 52.55 52.80 1nqe s ASP 445 Cb -0.10 -0.14 -0.07 0.00 1.01 0.00 0.00 42.92 43.61 1nqe s ASP 445 CO 0.25 0.07 1.32 -0.47 0.21 0.00 0.00 175.17 176.55 1nqe s TYR 446 N -0.91 3.31 -0.31 4.23 6.14 -1.26 -1.09 117.35 127.47 1nqe s TYR 446 Ca 0.04 1.09 -0.09 0.00 0.64 0.00 0.00 57.07 58.75 1nqe s TYR 446 Cb -0.09 -3.59 0.00 0.00 0.42 0.00 0.00 41.96 38.71 1nqe s TYR 446 CO 0.02 -1.98 0.13 0.34 0.64 0.00 0.00 175.55 174.69 1nqe s ASP 447 N 1.03 5.38 0.38 4.32 2.15 -0.32 -4.96 116.67 124.65 1nqe s ASP 447 Ca 0.62 -0.62 0.28 0.00 0.43 0.00 0.00 52.55 53.25 1nqe s ASP 447 Cb -0.34 -1.95 1.01 0.00 -0.30 0.00 0.00 42.92 41.33 1nqe s ASP 447 CO 0.30 -0.20 1.81 -2.24 -0.17 0.00 0.00 175.17 174.67 1nqe h ASP 448 N 8.31 0.00 -0.45 -0.34 3.04 -1.96 0.18 116.42 125.20 1nqe h ASP 448 Ca -0.32 0.00 0.02 0.00 -3.24 0.00 0.00 57.03 53.50 1nqe h ASP 448 Cb 1.14 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.40 1nqe h ASP 448 CO 0.61 0.00 0.26 0.45 -2.04 0.00 0.00 179.24 178.53 1nqe h HIS 449 N 0.00 0.49 -0.02 4.15 3.86 -1.95 -3.31 115.15 118.38 1nqe h HIS 449 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1nqe h HIS 449 Cb 0.56 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1nqe h HIS 449 CO 0.00 0.28 0.00 0.25 0.86 0.00 0.00 177.93 179.32 1nqe n THR 450 N -4.84 0.28 -3.05 2.45 -2.24 -1.07 -5.00 114.28 100.81 1nqe n THR 450 Ca 0.02 -0.64 -0.22 0.00 -2.27 0.00 0.00 64.05 60.94 1nqe n THR 450 Cb 0.07 0.89 0.02 0.00 -2.10 0.00 0.00 70.33 69.21 1nqe n THR 450 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1nqe n LEU 451 N -0.02 -2.28 -4.19 3.22 7.99 0.03 -4.99 117.00 116.76 1nqe n LEU 451 Ca 0.01 -0.27 -0.11 0.00 -0.01 0.00 0.00 56.01 55.62 1nqe n LEU 451 Cb 0.11 -2.72 -0.10 0.00 -0.11 0.00 0.00 43.42 40.60 1nqe n LEU 451 CO 0.01 0.17 -0.39 -0.54 -1.51 0.00 0.00 177.39 175.13 1nqe s LYS 452 N -5.72 0.88 0.14 3.23 1.02 -1.18 -4.42 119.74 113.70 1nqe s LYS 452 Ca 0.30 -1.35 -0.23 0.00 0.02 0.00 0.00 55.97 54.71 1nqe s LYS 452 Cb -0.14 -0.30 -0.08 0.00 -0.52 0.00 0.00 37.83 36.80 1nqe s LYS 452 CO 0.37 0.00 0.70 0.71 -0.92 0.00 0.00 175.35 176.21 1nqe s TYR 453 N -3.53 3.84 0.06 3.18 2.02 -0.67 -1.17 117.35 121.08 1nqe s TYR 453 Ca 0.13 1.48 0.00 0.00 -0.37 0.00 0.00 57.07 58.31 1nqe s TYR 453 Cb 0.04 -2.66 -0.04 0.00 -0.40 0.00 0.00 41.96 38.91 1nqe s TYR 453 CO -0.04 0.52 -0.05 0.71 -1.57 0.00 0.00 175.55 175.13 1nqe s TYR 454 N -1.18 0.61 -0.08 2.71 1.51 -0.25 -4.58 117.35 116.08 1nqe s TYR 454 Ca 0.34 -0.87 -0.30 0.00 -1.01 0.00 0.00 57.07 55.23 1nqe s TYR 454 Cb -0.21 -0.40 -0.03 0.00 -0.11 0.00 0.00 41.96 41.21 1nqe s TYR 454 CO 0.23 -0.25 1.23 -0.80 -1.11 0.00 0.00 175.55 174.86 1nqe s ASN 455 N -2.57 7.01 0.00 2.29 0.01 -1.26 -0.56 114.94 119.86 1nqe s ASN 455 Ca 0.03 1.80 0.00 0.00 -0.71 0.00 0.00 52.86 53.98 1nqe s ASN 455 Cb 0.02 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.13 1nqe s ASN 455 CO -0.06 -0.64 0.00 -1.84 -1.51 0.00 0.00 177.10 173.05 1nqe n GLU 456 N 5.57 0.00 -0.98 -0.60 0.28 -0.25 -4.89 120.64 119.77 1nqe n GLU 456 Ca 0.12 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.82 1nqe n GLU 456 Cb 0.46 0.00 0.15 0.00 1.43 0.00 0.00 31.44 33.48 1nqe n GLU 456 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1nqe s GLY 457 N -0.88 1.64 0.01 -1.84 0.00 -1.02 -4.58 107.32 100.66 1nqe s GLY 457 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.94 1nqe s GLY 457 CO 0.00 0.67 -0.02 0.54 0.00 0.00 0.00 173.10 174.29 1nqe s LYS 458 N -4.78 0.21 0.06 2.90 1.02 -1.26 -2.08 119.74 115.81 1nqe s LYS 458 Ca 0.64 -0.35 0.04 0.00 0.02 0.00 0.00 55.97 56.32 1nqe s LYS 458 Cb -0.20 0.00 -0.03 0.00 -0.52 0.00 0.00 37.83 37.09 1nqe s LYS 458 CO 0.58 -0.01 -0.11 0.00 -0.92 0.00 0.00 175.35 174.89 1nqe s ALA 459 N -0.79 0.94 -0.09 5.17 0.00 -0.24 -1.18 121.76 125.57 1nqe s ALA 459 Ca -0.08 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 1nqe s ALA 459 Cb -0.06 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.06 1nqe s ALA 459 CO -0.00 0.07 -0.06 0.50 0.00 0.00 0.00 175.76 176.27 1nqe s ARG 460 N -1.82 1.20 -0.14 0.00 3.52 0.26 -0.42 118.95 121.55 1nqe s ARG 460 Ca -0.04 -0.15 -0.01 0.00 -0.13 0.00 0.00 55.73 55.40 1nqe s ARG 460 Cb -0.09 -1.31 -0.02 0.00 -1.56 0.00 0.00 34.95 31.98 1nqe s ARG 460 CO 0.01 -0.23 -0.11 0.42 -0.81 0.00 0.00 175.30 174.58 1nqe s ILE 461 N 1.58 3.16 -0.12 4.11 1.01 -0.15 -1.58 121.20 129.22 1nqe s ILE 461 Ca 0.01 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.08 1nqe s ILE 461 Cb -0.13 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 40.00 1nqe s ILE 461 CO -0.05 0.51 -0.23 -0.54 0.00 0.00 0.00 174.94 174.63 1nqe s LYS 462 N 0.45 3.03 0.10 2.79 1.02 -0.62 -0.64 119.74 125.88 1nqe s LYS 462 Ca -0.09 -0.87 -0.05 0.00 0.02 0.00 0.00 55.97 54.99 1nqe s LYS 462 Cb -0.16 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.76 1nqe s LYS 462 CO 0.04 0.07 0.11 0.20 -0.92 0.00 0.00 175.35 174.85 1nqe s GLY 463 N 0.60 0.47 -0.01 -3.33 0.00 -0.20 -0.65 107.32 104.20 1nqe s GLY 463 Ca -0.12 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.56 1nqe s GLY 463 CO 0.03 -1.09 0.00 0.14 0.00 0.00 0.00 173.10 172.18 1nqe s VAL 464 N -3.94 0.03 -0.10 1.40 1.01 -0.26 -1.33 120.40 117.22 1nqe s VAL 464 Ca 0.12 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1nqe s VAL 464 Cb 0.06 -0.08 0.01 0.00 0.00 0.00 0.00 36.38 36.37 1nqe s VAL 464 CO -0.06 0.05 -0.15 -0.70 0.00 0.00 0.00 175.10 174.23 1nqe s GLU 465 N 0.39 2.17 -0.05 2.72 2.12 -0.53 -1.00 118.70 124.52 1nqe s GLU 465 Ca -0.03 -0.55 0.03 0.00 0.36 0.00 0.00 54.97 54.78 1nqe s GLU 465 Cb -0.05 -1.82 0.01 0.00 0.26 0.00 0.00 34.13 32.53 1nqe s GLU 465 CO -0.01 -0.03 -0.13 0.00 -0.54 0.00 0.00 175.26 174.55 1nqe s ALA 466 N 0.87 1.27 0.08 6.30 0.00 0.38 -1.21 121.76 129.45 1nqe s ALA 466 Ca -0.09 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 51.40 1nqe s ALA 466 Cb -0.15 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1nqe s ALA 466 CO 0.00 0.18 -0.09 0.95 0.00 0.00 0.00 175.76 176.80 1nqe s THR 467 N 0.33 0.78 -0.03 0.00 -4.23 0.42 -1.07 115.64 111.83 1nqe s THR 467 Ca -0.08 -1.47 -0.26 0.00 -1.18 0.00 0.00 61.69 58.70 1nqe s THR 467 Cb -0.13 -1.13 0.06 0.00 1.34 0.00 0.00 72.50 72.64 1nqe s THR 467 CO 0.02 -0.52 0.57 0.00 -0.54 0.00 0.00 174.62 174.15 1nqe s ALA 468 N -2.17 -1.47 0.01 3.99 0.00 -0.54 -1.64 121.76 119.94 1nqe s ALA 468 Ca 0.01 1.00 -0.00 0.00 0.00 0.00 0.00 51.96 52.96 1nqe s ALA 468 Cb -0.05 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 1nqe s ALA 468 CO -0.00 -0.35 -0.00 0.54 0.00 0.00 0.00 175.76 175.94 1nqe s ASN 469 N -1.29 0.09 -0.08 0.00 2.20 -0.39 -1.30 114.94 114.16 1nqe s ASN 469 Ca -0.11 -0.19 -0.31 0.00 -0.94 0.00 0.00 52.86 51.31 1nqe s ASN 469 Cb -0.01 0.06 0.12 0.00 -2.00 0.00 0.00 41.25 39.41 1nqe s ASN 469 CO 0.08 -0.13 1.01 0.72 -2.94 0.00 0.00 177.10 175.83 1nqe s PHE 470 N -0.61 -0.27 0.08 1.54 -0.12 -0.90 -1.92 117.98 115.78 1nqe s PHE 470 Ca -0.07 0.18 0.05 0.00 -0.05 0.00 0.00 56.93 57.05 1nqe s PHE 470 Cb -0.04 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 1nqe s PHE 470 CO -0.00 -0.41 -0.03 -0.51 -0.05 0.00 0.00 175.22 174.22 1nqe s ASP 471 N -2.29 4.87 -0.34 1.98 1.01 -1.26 -0.94 116.67 119.70 1nqe s ASP 471 Ca 0.06 -0.21 0.01 0.00 0.71 0.00 0.00 52.55 53.12 1nqe s ASP 471 Cb -0.01 -1.12 0.11 0.00 1.01 0.00 0.00 42.92 42.91 1nqe s ASP 471 CO -0.07 0.19 0.11 0.42 0.21 0.00 0.00 175.17 176.03 1nqe s THR 472 N -1.26 1.26 0.00 -1.27 -4.23 -0.07 -5.01 115.64 105.06 1nqe s THR 472 Ca 0.24 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1nqe s THR 472 Cb -0.12 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.79 1nqe s THR 472 CO 0.16 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 174.15 1nqe n GLY 473 N 4.49 3.55 0.00 3.99 0.00 -1.26 -1.67 105.19 114.30 1nqe n GLY 473 Ca 0.01 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.11 1nqe n GLY 473 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nqe n PRO 474 N 14.00 0.47 -3.43 1.61 -0.04 -1.26 -4.81 135.00 141.54 1nqe n PRO 474 Ca 0.00 0.01 -0.38 0.00 -0.04 0.00 0.00 63.50 63.09 1nqe n PRO 474 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 1nqe n PRO 474 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nqe s LEU 475 N -2.51 4.36 -0.14 1.53 1.43 -0.67 -4.42 118.68 118.26 1nqe s LEU 475 Ca 0.29 0.85 -0.03 0.00 -1.03 0.00 0.00 54.13 54.21 1nqe s LEU 475 Cb 0.20 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 1nqe s LEU 475 CO 0.43 0.16 -0.04 -0.89 0.23 0.00 0.00 176.35 176.25 1nqe s THR 476 N -0.18 3.86 -0.11 5.49 2.01 0.27 -0.89 115.64 126.08 1nqe s THR 476 Ca 0.24 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1nqe s THR 476 Cb -0.16 -2.68 -0.01 0.00 0.01 0.00 0.00 72.50 69.66 1nqe s THR 476 CO 0.11 0.51 -0.15 -1.00 -0.69 0.00 0.00 174.62 173.40 1nqe s HIS 477 N 0.19 2.76 -0.12 4.92 0.09 -0.12 -0.87 115.29 122.14 1nqe s HIS 477 Ca -0.02 -0.62 -0.02 0.00 -0.00 0.00 0.00 55.06 54.39 1nqe s HIS 477 Cb -0.14 -1.79 0.04 0.00 -0.00 0.00 0.00 32.58 30.69 1nqe s HIS 477 CO 0.03 -0.18 0.02 0.99 -0.00 0.00 0.00 174.74 175.60 1nqe s THR 478 N 0.18 0.40 0.03 1.30 2.01 -0.39 -2.12 115.64 117.05 1nqe s THR 478 Ca -0.09 -0.13 0.03 0.00 0.31 0.00 0.00 61.69 61.81 1nqe s THR 478 Cb -0.15 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 1nqe s THR 478 CO 0.05 0.06 -0.09 0.54 -0.69 0.00 0.00 174.62 174.49 1nqe s VAL 479 N 1.94 0.72 0.04 3.82 0.11 -0.42 -0.77 120.40 125.84 1nqe s VAL 479 Ca 0.03 -0.84 -0.11 0.00 -2.93 0.00 0.00 61.98 58.12 1nqe s VAL 479 Cb -0.14 -0.69 0.01 0.00 -1.53 0.00 0.00 36.38 34.03 1nqe s VAL 479 CO -0.06 -0.12 0.24 -0.94 -3.33 0.00 0.00 175.10 170.89 1nqe s SER 480 N -1.07 -0.03 -0.02 3.54 1.04 -0.21 -1.46 113.70 115.49 1nqe s SER 480 Ca -0.03 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.12 1nqe s SER 480 Cb -0.07 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.37 1nqe s SER 480 CO 0.01 -0.58 -0.05 -0.47 0.98 0.00 0.00 173.24 173.13 1nqe s TYR 481 N -2.58 0.55 -0.07 5.02 5.04 -0.24 -1.03 117.35 124.05 1nqe s TYR 481 Ca -0.05 -0.11 0.02 0.00 -2.44 0.00 0.00 57.07 54.49 1nqe s TYR 481 Cb -0.01 -0.44 0.01 0.00 0.35 0.00 0.00 41.96 41.88 1nqe s TYR 481 CO -0.04 -0.08 -0.13 -0.51 -1.34 0.00 0.00 175.55 173.46 1nqe s ASP 482 N 0.33 1.86 -0.14 4.32 1.01 -0.66 -0.47 116.67 122.91 1nqe s ASP 482 Ca -0.04 -0.31 -0.03 0.00 0.71 0.00 0.00 52.55 52.88 1nqe s ASP 482 Cb -0.07 -0.86 -0.02 0.00 1.01 0.00 0.00 42.92 42.97 1nqe s ASP 482 CO -0.00 0.03 -0.06 -0.47 0.21 0.00 0.00 175.17 174.88 1nqe s TYR 483 N 0.69 2.97 -0.25 4.23 5.04 -0.17 -1.92 117.35 127.94 1nqe s TYR 483 Ca -0.14 -0.36 -0.03 0.00 -2.44 0.00 0.00 57.07 54.10 1nqe s TYR 483 Cb -0.16 -1.91 0.08 0.00 0.35 0.00 0.00 41.96 40.32 1nqe s TYR 483 CO 0.04 -0.05 0.08 0.08 -1.34 0.00 0.00 175.55 174.36 1nqe s VAL 484 N 0.28 0.43 -0.89 3.14 1.01 0.18 -1.10 120.40 123.45 1nqe s VAL 484 Ca -0.05 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 1nqe s VAL 484 Cb -0.14 -1.18 0.23 0.00 0.00 0.00 0.00 36.38 35.29 1nqe s VAL 484 CO 0.04 -0.49 0.83 -0.62 0.00 0.00 0.00 175.10 174.86 1nqe s ASP 485 N 1.87 6.77 -0.28 3.32 2.15 0.17 -4.34 116.67 126.32 1nqe s ASP 485 Ca 0.05 -2.99 -0.09 0.00 0.43 0.00 0.00 52.55 49.95 1nqe s ASP 485 Cb -0.17 -2.17 -0.02 0.00 -0.30 0.00 0.00 42.92 40.26 1nqe s ASP 485 CO -0.21 -0.47 0.13 0.00 -0.17 0.00 0.00 175.17 174.46 1nqe s ALA 486 N -0.30 3.27 0.04 3.66 0.00 -1.26 -1.58 121.76 125.59 1nqe s ALA 486 Ca 0.22 -1.24 0.04 0.00 0.00 0.00 0.00 51.96 50.98 1nqe s ALA 486 Cb -0.11 -2.28 -0.02 0.00 0.00 0.00 0.00 23.12 20.71 1nqe s ALA 486 CO -0.08 -0.68 -0.13 1.03 0.00 0.00 0.00 175.76 175.90 1nqe s ARG 487 N 1.64 0.85 -0.10 0.00 0.52 -0.61 -0.43 118.95 120.81 1nqe s ARG 487 Ca 0.06 -0.73 -0.29 0.00 -0.52 0.00 0.00 55.73 54.25 1nqe s ARG 487 Cb -0.16 -0.83 -0.06 0.00 0.52 0.00 0.00 34.95 34.42 1nqe s ARG 487 CO 0.06 0.20 1.84 1.21 0.02 0.00 0.00 175.30 178.64 1nqe s ASN 488 N -1.14 6.29 0.00 0.23 3.84 0.45 -0.57 114.94 124.03 1nqe s ASN 488 Ca 0.00 2.13 0.26 0.00 0.21 0.00 0.00 52.86 55.46 1nqe s ASN 488 Cb -0.08 -2.53 1.13 0.00 -0.55 0.00 0.00 41.25 39.22 1nqe s ASN 488 CO 0.01 -1.25 1.84 0.00 -2.79 0.00 0.00 177.10 174.91 1nqe n ALA 489 N 8.48 2.20 -0.02 1.71 0.00 -0.32 -0.32 120.51 132.24 1nqe n ALA 489 Ca 0.21 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.34 1nqe n ALA 489 Cb 0.43 -1.42 -0.13 0.00 0.00 0.00 0.00 19.45 18.33 1nqe n ALA 489 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1nqe h ILE 490 N 0.00 0.92 -0.00 0.00 1.08 -1.91 -3.39 117.51 114.22 1nqe h ILE 490 Ca 0.00 -2.33 0.00 0.00 -0.39 0.00 0.00 64.86 62.14 1nqe h ILE 490 Cb 0.43 2.56 0.00 0.00 -3.07 0.00 0.00 36.82 36.74 1nqe h ILE 490 CO 0.00 0.66 -0.90 1.07 -0.69 0.00 0.00 178.15 178.29 1nqe n THR 491 N -3.95 0.00 -2.45 -0.27 5.66 -1.22 -4.97 114.28 107.08 1nqe n THR 491 Ca -0.28 -0.01 -0.20 0.00 -3.05 0.00 0.00 64.05 60.51 1nqe n THR 491 Cb 0.88 0.89 -0.01 0.00 -1.55 0.00 0.00 70.33 70.53 1nqe n THR 491 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1nqe n ASP 492 N -1.45 -5.68 -4.83 1.09 4.64 0.57 -5.00 116.55 105.88 1nqe n ASP 492 Ca 0.04 -0.01 -0.36 0.00 -1.38 0.00 0.00 54.79 53.08 1nqe n ASP 492 Cb 0.34 -4.73 -0.07 0.00 -1.04 0.00 0.00 41.12 35.62 1nqe n ASP 492 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 1nqe s THR 493 N -3.00 5.21 0.26 5.18 -4.23 -1.19 -4.86 115.64 113.02 1nqe s THR 493 Ca 0.02 0.07 -0.30 0.00 -1.18 0.00 0.00 61.69 60.30 1nqe s THR 493 Cb -0.01 -3.27 -0.14 0.00 1.34 0.00 0.00 72.50 70.43 1nqe s THR 493 CO 0.02 0.59 1.21 -2.65 -0.54 0.00 0.00 174.62 173.26 1nqe n PRO 494 N 1.94 1.67 -2.37 3.99 -0.02 -1.26 -0.42 135.00 138.54 1nqe n PRO 494 Ca -0.19 0.59 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 1nqe n PRO 494 Cb 0.54 -2.11 -0.02 0.00 -0.02 0.00 0.00 33.50 31.89 1nqe n PRO 494 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nqe s LEU 495 N 0.08 3.72 0.50 2.45 1.43 0.42 -4.75 118.68 122.53 1nqe s LEU 495 Ca 0.63 1.86 -0.06 0.00 -1.03 0.00 0.00 54.13 55.54 1nqe s LEU 495 Cb -0.69 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 40.95 1nqe s LEU 495 CO 0.56 -0.89 0.81 -0.76 0.23 0.00 0.00 176.35 176.30 1nqe s LEU 496 N -3.86 3.58 0.00 1.79 1.02 -1.26 -4.33 118.68 115.63 1nqe s LEU 496 Ca 0.65 0.98 0.00 0.00 0.02 0.00 0.00 54.13 55.78 1nqe s LEU 496 Cb -0.16 -3.94 0.00 0.00 0.02 0.00 0.00 46.19 42.11 1nqe s LEU 496 CO 0.26 -0.61 0.00 0.54 0.02 0.00 0.00 176.35 176.56 1nqe n ARG 497 N -2.31 0.00 -4.69 1.70 1.74 0.37 -5.00 116.66 108.47 1nqe n ARG 497 Ca 0.01 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.76 1nqe n ARG 497 Cb 0.55 -2.36 -0.13 0.00 -1.02 0.00 0.00 32.46 29.50 1nqe n ARG 497 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1nqe s ARG 498 N -0.01 3.29 0.08 5.56 3.00 -1.26 -4.94 118.95 124.67 1nqe s ARG 498 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 55.73 54.80 1nqe s ARG 498 Cb 0.00 -2.67 -0.06 0.00 0.00 0.00 0.00 34.95 32.23 1nqe s ARG 498 CO 0.00 0.32 1.13 0.00 0.00 0.00 0.00 175.30 176.74 1nqe s ALA 499 N 0.11 3.34 0.29 2.13 0.00 -1.26 -4.55 121.76 121.82 1nqe s ALA 499 Ca -0.04 0.78 0.08 0.00 0.00 0.00 0.00 51.96 52.77 1nqe s ALA 499 Cb -0.14 -3.40 0.44 0.00 0.00 0.00 0.00 23.12 20.02 1nqe s ALA 499 CO 0.04 -0.33 1.68 -0.22 0.00 0.00 0.00 175.76 176.93 1nqe h LYS 500 N 6.33 0.15 -4.09 0.00 3.64 -1.74 -3.42 116.57 117.44 1nqe h LYS 500 Ca -0.42 -0.08 -0.26 0.00 -1.27 0.00 0.00 60.65 58.62 1nqe h LYS 500 Cb 1.21 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.78 1nqe h LYS 500 CO 0.77 0.60 -0.73 -0.65 -2.27 0.00 0.00 179.45 177.18 1nqe s GLN 501 N -3.96 0.27 -0.05 1.90 -0.21 -1.26 -0.65 119.66 115.69 1nqe s GLN 501 Ca -0.03 -0.27 -0.07 0.00 0.02 0.00 0.00 55.36 55.01 1nqe s GLN 501 Cb 0.13 -0.16 0.01 0.00 1.00 0.00 0.00 33.01 34.00 1nqe s GLN 501 CO 0.77 0.04 0.17 -0.65 -2.12 0.00 0.00 175.29 173.50 1nqe s GLN 502 N -0.51 0.26 -0.04 2.91 -0.21 -0.81 -0.59 119.66 120.68 1nqe s GLN 502 Ca -0.03 0.13 0.04 0.00 0.02 0.00 0.00 55.36 55.51 1nqe s GLN 502 Cb -0.04 0.12 -0.00 0.00 1.00 0.00 0.00 33.01 34.09 1nqe s GLN 502 CO -0.00 -0.04 -0.14 0.08 -2.12 0.00 0.00 175.29 173.07 1nqe s VAL 503 N -0.18 1.18 -0.01 1.09 1.01 -0.66 -1.65 120.40 121.18 1nqe s VAL 503 Ca -0.03 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1nqe s VAL 503 Cb -0.02 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.34 1nqe s VAL 503 CO 0.01 0.35 -0.01 -0.54 0.00 0.00 0.00 175.10 174.90 1nqe s LYS 504 N 0.12 0.21 -0.07 2.72 1.02 -0.20 -0.48 119.74 123.06 1nqe s LYS 504 Ca -0.04 0.00 -0.03 0.00 0.02 0.00 0.00 55.97 55.92 1nqe s LYS 504 Cb -0.11 -0.30 0.04 0.00 -0.52 0.00 0.00 37.83 36.95 1nqe s LYS 504 CO 0.02 -0.04 0.16 -0.47 -0.92 0.00 0.00 175.35 174.10 1nqe s TYR 505 N 0.44 -0.19 -0.06 3.18 6.14 -0.26 -1.04 117.35 125.57 1nqe s TYR 505 Ca -0.04 0.55 0.05 0.00 0.64 0.00 0.00 57.07 58.27 1nqe s TYR 505 Cb -0.07 -0.11 -0.00 0.00 0.42 0.00 0.00 41.96 42.20 1nqe s TYR 505 CO -0.01 -0.20 -0.21 -1.14 0.64 0.00 0.00 175.55 174.63 1nqe s GLN 506 N 1.47 2.22 -0.13 4.97 2.00 0.05 -0.61 119.66 129.64 1nqe s GLN 506 Ca -0.06 -0.74 -0.00 0.00 -2.00 0.00 0.00 55.36 52.56 1nqe s GLN 506 Cb -0.12 -1.86 0.02 0.00 0.80 0.00 0.00 33.01 31.85 1nqe s GLN 506 CO -0.06 0.27 -0.10 -1.17 -0.50 0.00 0.00 175.29 173.73 1nqe s LEU 507 N 0.04 1.39 0.03 3.68 2.96 -0.20 -1.26 118.68 125.32 1nqe s LEU 507 Ca -0.06 -0.39 0.07 0.00 -0.22 0.00 0.00 54.13 53.53 1nqe s LEU 507 Cb -0.13 -0.97 -0.02 0.00 0.50 0.00 0.00 46.19 45.56 1nqe s LEU 507 CO 0.04 -0.10 -0.20 -1.81 -1.32 0.00 0.00 176.35 172.96 1nqe s ASP 508 N 1.62 2.39 0.05 3.68 1.01 -0.05 -1.30 116.67 124.07 1nqe s ASP 508 Ca 0.05 -0.49 -0.27 0.00 0.71 0.00 0.00 52.55 52.55 1nqe s ASP 508 Cb -0.13 -0.21 0.09 0.00 1.01 0.00 0.00 42.92 43.69 1nqe s ASP 508 CO -0.09 0.16 0.82 -1.66 0.21 0.00 0.00 175.17 174.61 1nqe s TRP 509 N -0.75 -0.38 0.09 4.23 -2.14 -0.65 -0.57 118.94 118.77 1nqe s TRP 509 Ca 0.07 0.21 0.10 0.00 2.66 0.00 0.00 56.10 59.14 1nqe s TRP 509 Cb -0.09 0.55 -0.03 0.00 -3.10 0.00 0.00 33.47 30.80 1nqe s TRP 509 CO 0.01 -0.65 -0.25 -0.65 -2.66 0.00 0.00 176.95 172.75 1nqe s GLN 510 N -3.30 1.48 0.01 3.25 1.11 -1.26 -0.59 119.66 120.36 1nqe s GLN 510 Ca 0.05 -1.22 0.00 0.00 0.01 0.00 0.00 55.36 54.20 1nqe s GLN 510 Cb -0.01 -1.82 0.00 0.00 -1.01 0.00 0.00 33.01 30.17 1nqe s GLN 510 CO -0.09 0.44 0.00 -0.11 0.01 0.00 0.00 175.29 175.54 1nqe n LEU 511 N 1.27 0.06 -0.12 2.90 7.94 -0.87 -4.97 117.00 123.21 1nqe n LEU 511 Ca -0.18 0.01 -0.26 0.00 -1.11 0.00 0.00 56.01 54.48 1nqe n LEU 511 Cb 0.53 -0.02 -0.10 0.00 0.53 0.00 0.00 43.42 44.36 1nqe n LEU 511 CO 0.23 -0.51 -1.00 -1.22 -1.11 0.00 0.00 177.39 173.77 1nqe n TYR 512 N -2.55 0.48 -1.00 1.96 4.01 -1.26 -4.85 117.16 113.93 1nqe n TYR 512 Ca 0.00 0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 1nqe n TYR 512 Cb 0.00 -1.03 0.00 0.00 -0.31 0.00 0.00 39.34 38.00 1nqe n TYR 512 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1nqe n ASP 513 N -4.34 0.00 -4.69 7.72 8.00 -1.26 -5.11 116.55 116.87 1nqe n ASP 513 Ca -0.43 -0.50 -0.42 0.00 0.71 0.00 0.00 54.79 54.15 1nqe n ASP 513 Cb 0.78 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.85 1nqe n ASP 513 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1nqe s PHE 514 N 0.00 3.50 -0.34 1.24 0.08 -1.26 -4.31 117.98 116.89 1nqe s PHE 514 Ca 0.00 1.49 -0.12 0.00 0.12 0.00 0.00 56.93 58.42 1nqe s PHE 514 Cb 0.00 -3.12 -0.01 0.00 -0.57 0.00 0.00 43.02 39.32 1nqe s PHE 514 CO 0.00 -0.20 0.22 0.34 -0.10 0.00 0.00 175.22 175.48 1nqe s ASP 515 N 1.09 5.91 -0.04 1.36 3.68 -0.29 -2.04 116.67 126.34 1nqe s ASP 515 Ca 0.45 -0.50 0.01 0.00 2.13 0.00 0.00 52.55 54.65 1nqe s ASP 515 Cb -0.18 -2.10 -0.03 0.00 -1.45 0.00 0.00 42.92 39.16 1nqe s ASP 515 CO 0.17 -0.24 -0.06 0.26 0.13 0.00 0.00 175.17 175.43 1nqe s TRP 516 N 1.68 2.95 -0.03 -5.34 0.52 0.24 -0.40 118.94 118.56 1nqe s TRP 516 Ca 0.05 0.02 -0.01 0.00 0.02 0.00 0.00 56.10 56.18 1nqe s TRP 516 Cb -0.17 -1.68 0.03 0.00 -1.15 0.00 0.00 33.47 30.49 1nqe s TRP 516 CO 0.09 0.36 0.07 0.20 0.02 0.00 0.00 176.95 177.69 1nqe s GLY 517 N -1.03 0.06 -0.11 0.98 0.00 -0.50 -1.64 107.32 105.07 1nqe s GLY 517 Ca 0.14 0.43 0.02 0.00 0.00 0.00 0.00 44.72 45.31 1nqe s GLY 517 CO 0.04 0.80 -0.19 -0.42 0.00 0.00 0.00 173.10 173.33 1nqe s ILE 518 N 1.12 2.51 -0.09 0.90 1.01 -0.42 -0.73 121.20 125.51 1nqe s ILE 518 Ca -0.09 -0.86 0.04 0.00 0.00 0.00 0.00 60.65 59.74 1nqe s ILE 518 Cb -0.13 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 1nqe s ILE 518 CO -0.04 0.55 -0.22 0.28 0.00 0.00 0.00 174.94 175.50 1nqe s THR 519 N 0.30 2.25 -0.04 2.92 -1.32 -0.22 -1.04 115.64 118.49 1nqe s THR 519 Ca -0.14 -0.97 0.06 0.00 -1.21 0.00 0.00 61.69 59.43 1nqe s THR 519 Cb -0.17 -1.86 -0.02 0.00 -1.51 0.00 0.00 72.50 68.94 1nqe s THR 519 CO 0.07 0.56 -0.21 -0.47 -2.21 0.00 0.00 174.62 172.36 1nqe s TYR 520 N 0.15 2.51 -0.02 9.09 5.04 0.22 -1.04 117.35 133.30 1nqe s TYR 520 Ca -0.12 -0.41 0.00 0.00 -2.44 0.00 0.00 57.07 54.11 1nqe s TYR 520 Cb -0.16 -1.59 0.02 0.00 0.35 0.00 0.00 41.96 40.59 1nqe s TYR 520 CO 0.07 -0.01 0.01 -1.14 -1.34 0.00 0.00 175.55 173.14 1nqe s GLN 521 N -0.51 0.20 -0.25 4.97 0.74 -0.42 -1.10 119.66 123.29 1nqe s GLN 521 Ca 0.07 0.09 -0.08 0.00 0.05 0.00 0.00 55.36 55.48 1nqe s GLN 521 Cb -0.11 -0.38 -0.03 0.00 1.10 0.00 0.00 33.01 33.58 1nqe s GLN 521 CO 0.01 -0.12 0.09 -0.47 -0.55 0.00 0.00 175.29 174.24 1nqe s TYR 522 N 0.91 3.12 -0.29 1.67 5.04 0.37 -0.52 117.35 127.65 1nqe s TYR 522 Ca -0.09 -0.30 -0.09 0.00 -2.44 0.00 0.00 57.07 54.16 1nqe s TYR 522 Cb -0.12 -2.25 -0.01 0.00 0.35 0.00 0.00 41.96 39.93 1nqe s TYR 522 CO -0.02 -0.29 0.13 -0.51 -1.34 0.00 0.00 175.55 173.53 1nqe s LEU 523 N 1.54 3.93 1.23 6.97 1.43 0.03 -1.66 118.68 132.15 1nqe s LEU 523 Ca 0.06 -0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 52.54 1nqe s LEU 523 Cb -0.15 -1.99 0.30 0.00 0.03 0.00 0.00 46.19 44.38 1nqe s LEU 523 CO 0.05 -0.14 1.12 -0.83 0.23 0.00 0.00 176.35 176.77 1nqe s GLY 524 N 1.62 1.59 0.65 -3.19 0.00 0.25 -0.89 107.32 107.35 1nqe s GLY 524 Ca 0.05 -1.03 -0.18 0.00 0.00 0.00 0.00 44.72 43.56 1nqe s GLY 524 CO 0.06 -0.11 1.25 -0.37 0.00 0.00 0.00 173.10 173.93 1nqe n THR 525 N -4.82 4.79 -3.77 0.90 5.66 -1.26 -4.39 114.28 111.39 1nqe n THR 525 Ca 0.14 -0.49 -0.13 0.00 -3.05 0.00 0.00 64.05 60.52 1nqe n THR 525 Cb 0.60 -1.45 -0.11 0.00 -1.55 0.00 0.00 70.33 67.82 1nqe n THR 525 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1nqe s ARG 526 N -3.32 0.35 -0.07 1.09 3.52 -0.97 -3.23 118.95 116.31 1nqe s ARG 526 Ca 0.82 0.42 0.01 0.00 -0.13 0.00 0.00 55.73 56.85 1nqe s ARG 526 Cb -0.38 0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.14 1nqe s ARG 526 CO 0.41 -0.05 -0.07 0.71 -0.81 0.00 0.00 175.30 175.49 1nqe s TYR 527 N 0.20 2.93 0.29 5.12 1.51 -1.26 -0.71 117.35 125.43 1nqe s TYR 527 Ca -0.00 -0.02 -0.02 0.00 -1.01 0.00 0.00 57.07 56.02 1nqe s TYR 527 Cb -0.02 -1.72 0.01 0.00 -0.11 0.00 0.00 41.96 40.11 1nqe s TYR 527 CO 0.00 0.29 0.42 -3.47 -1.11 0.00 0.00 175.55 171.68 1nqe n ASP 528 N 2.33 -1.16 -4.47 2.29 -0.08 -0.82 -0.48 116.55 114.16 1nqe n ASP 528 Ca -0.18 -2.57 -0.29 0.00 -1.51 0.00 0.00 54.79 50.24 1nqe n ASP 528 Cb 0.53 2.15 -0.12 0.00 2.34 0.00 0.00 41.12 46.02 1nqe n ASP 528 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1nqe s LYS 529 N -2.64 1.74 -0.42 -0.67 1.02 -1.26 -0.19 119.74 117.31 1nqe s LYS 529 Ca 0.24 -1.20 -0.14 0.00 0.02 0.00 0.00 55.97 54.90 1nqe s LYS 529 Cb -0.01 -2.08 0.04 0.00 -0.52 0.00 0.00 37.83 35.26 1nqe s LYS 529 CO 0.17 0.48 0.30 0.34 -0.92 0.00 0.00 175.35 175.72 1nqe s ASP 530 N -2.08 5.99 0.00 2.83 -1.08 -0.19 -4.70 116.67 117.44 1nqe s ASP 530 Ca 0.17 -1.10 0.20 0.00 -0.52 0.00 0.00 52.55 51.30 1nqe s ASP 530 Cb -0.10 -2.12 0.56 0.00 -1.46 0.00 0.00 42.92 39.80 1nqe s ASP 530 CO 0.09 -0.50 1.45 -1.22 0.52 0.00 0.00 175.17 175.51 1nqe n TYR 531 N 5.11 0.41 0.19 -5.34 4.01 -1.26 -3.66 117.16 116.62 1nqe n TYR 531 Ca -0.11 -0.21 0.05 0.00 -0.16 0.00 0.00 57.90 57.47 1nqe n TYR 531 Cb 0.45 0.00 0.49 0.00 -0.31 0.00 0.00 39.34 39.97 1nqe n TYR 531 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1nqe h SER 532 N 3.16 0.09 -5.13 7.72 4.64 -1.95 -3.44 113.55 118.63 1nqe h SER 532 Ca 0.00 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 1nqe h SER 532 Cb 0.70 -0.02 -0.14 0.00 -0.31 0.00 0.00 62.40 62.63 1nqe h SER 532 CO 0.00 0.22 -0.25 -0.94 -0.87 0.00 0.00 176.83 174.99 1nqe s SER 533 N -6.96 -0.02 -0.05 4.97 1.04 -1.26 -5.16 113.70 106.26 1nqe s SER 533 Ca -0.05 -0.53 -0.04 0.00 0.48 0.00 0.00 55.95 55.81 1nqe s SER 533 Cb 0.16 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1nqe s SER 533 CO 0.70 -0.78 0.16 -0.47 0.98 0.00 0.00 173.24 173.84 1nqe s TYR 534 N -3.84 3.56 0.80 5.02 6.14 -1.26 -3.86 117.35 123.91 1nqe s TYR 534 Ca 0.04 0.42 -0.12 0.00 0.64 0.00 0.00 57.07 58.05 1nqe s TYR 534 Cb 0.04 -1.87 0.07 0.00 0.42 0.00 0.00 41.96 40.62 1nqe s TYR 534 CO -0.11 0.68 1.16 -1.25 0.64 0.00 0.00 175.55 176.67 1nqe s PRO 535 N -1.59 2.07 -0.67 4.97 0.04 -1.26 -5.07 135.00 133.49 1nqe s PRO 535 Ca 0.23 0.20 -0.24 0.00 0.04 0.00 0.00 61.00 61.23 1nqe s PRO 535 Cb -0.12 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.52 1nqe s PRO 535 CO 0.13 -1.54 1.05 0.71 0.04 0.00 0.00 177.00 177.39 1nqe s TYR 536 N -3.51 2.58 0.21 0.56 4.12 -1.25 -4.99 117.35 115.08 1nqe s TYR 536 Ca 0.61 -0.35 -0.30 0.00 0.02 0.00 0.00 57.07 57.06 1nqe s TYR 536 Cb -0.11 -4.36 -0.08 0.00 -1.52 0.00 0.00 41.96 35.88 1nqe s TYR 536 CO 0.50 -1.73 1.03 -0.65 0.02 0.00 0.00 175.55 174.72 1nqe s GLN 537 N 4.50 4.71 0.15 -0.62 -0.21 -1.24 -4.75 119.66 122.19 1nqe s GLN 537 Ca 0.27 1.63 -0.30 0.00 0.02 0.00 0.00 55.36 56.97 1nqe s GLN 537 Cb -0.14 -3.27 -0.07 0.00 1.00 0.00 0.00 33.01 30.53 1nqe s GLN 537 CO 0.13 0.27 1.09 0.95 -2.12 0.00 0.00 175.29 175.61 1nqe s THR 538 N -0.74 4.01 0.39 -0.19 -4.23 -1.26 -1.03 115.64 112.59 1nqe s THR 538 Ca 0.45 1.67 0.05 0.00 -1.18 0.00 0.00 61.69 62.68 1nqe s THR 538 Cb -0.28 -4.07 -0.06 0.00 1.34 0.00 0.00 72.50 69.43 1nqe s THR 538 CO 0.35 0.26 0.04 0.54 -0.54 0.00 0.00 174.62 175.26 1nqe s VAL 539 N 0.02 1.49 -0.24 2.29 0.11 0.74 -4.93 120.40 119.88 1nqe s VAL 539 Ca 0.50 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.56 1nqe s VAL 539 Cb -0.28 -2.79 0.06 0.00 -1.53 0.00 0.00 36.38 31.84 1nqe s VAL 539 CO 0.33 0.00 -0.04 -0.75 -3.33 0.00 0.00 175.10 171.31 1nqe s LYS 540 N -3.80 1.52 -0.22 1.54 2.20 -1.26 -1.94 119.74 117.78 1nqe s LYS 540 Ca 0.32 -0.96 -0.15 0.00 -0.36 0.00 0.00 55.97 54.81 1nqe s LYS 540 Cb 0.08 -2.55 -0.04 0.00 -1.51 0.00 0.00 37.83 33.81 1nqe s LYS 540 CO 0.15 -0.62 0.36 -1.64 -0.36 0.00 0.00 175.35 173.25 1nqe s MET 541 N 1.43 4.14 0.76 4.03 -1.94 0.12 -4.99 119.30 122.84 1nqe s MET 541 Ca -0.05 0.11 -0.12 0.00 -1.71 0.00 0.00 55.69 53.93 1nqe s MET 541 Cb -0.19 -3.56 0.05 0.00 2.01 0.00 0.00 34.83 33.15 1nqe s MET 541 CO -0.07 -0.06 1.11 0.20 -0.01 0.00 0.00 175.02 176.19 1nqe s GLY 542 N 1.13 1.82 0.54 -0.03 0.00 -1.26 -2.29 107.32 107.24 1nqe s GLY 542 Ca 0.17 0.40 -0.20 0.00 0.00 0.00 0.00 44.72 45.09 1nqe s GLY 542 CO 0.08 0.76 1.18 -0.32 0.00 0.00 0.00 173.10 174.79 1nqe s GLY 543 N -3.06 2.72 0.05 0.20 0.00 -1.26 -4.69 107.32 101.28 1nqe s GLY 543 Ca 0.64 0.95 0.03 0.00 0.00 0.00 0.00 44.72 46.34 1nqe s GLY 543 CO 0.52 1.34 -0.10 -1.34 0.00 0.00 0.00 173.10 173.53 1nqe s VAL 544 N -1.63 0.76 -0.08 1.40 -7.23 -0.07 -4.94 120.40 108.62 1nqe s VAL 544 Ca 0.73 -1.11 -0.09 0.00 -1.81 0.00 0.00 61.98 59.69 1nqe s VAL 544 Cb -0.28 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 1nqe s VAL 544 CO 0.32 -0.28 0.22 -0.44 -0.31 0.00 0.00 175.10 174.61 1nqe s SER 545 N -1.54 6.51 -0.01 4.85 0.01 -1.26 -0.79 113.70 121.47 1nqe s SER 545 Ca -0.06 0.60 0.01 0.00 1.31 0.00 0.00 55.95 57.81 1nqe s SER 545 Cb -0.10 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 64.02 1nqe s SER 545 CO 0.01 0.37 -0.02 -0.76 0.41 0.00 0.00 173.24 173.25 1nqe s LEU 546 N -1.11 1.88 0.01 2.44 1.43 0.32 -4.93 118.68 118.72 1nqe s LEU 546 Ca 0.18 -0.04 0.05 0.00 -1.03 0.00 0.00 54.13 53.29 1nqe s LEU 546 Cb -0.13 -0.15 -0.02 0.00 0.03 0.00 0.00 46.19 45.92 1nqe s LEU 546 CO 0.08 0.01 -0.15 0.26 0.23 0.00 0.00 176.35 176.78 1nqe s TRP 547 N 0.10 1.32 0.04 0.29 0.52 -1.26 -1.30 118.94 118.65 1nqe s TRP 547 Ca -0.01 -0.30 0.02 0.00 0.02 0.00 0.00 56.10 55.84 1nqe s TRP 547 Cb -0.03 -0.82 -0.02 0.00 -1.15 0.00 0.00 33.47 31.45 1nqe s TRP 547 CO -0.00 0.01 -0.08 -0.51 0.02 0.00 0.00 176.95 176.38 1nqe s ASP 548 N -0.70 0.91 -0.05 2.95 1.01 -0.21 -0.57 116.67 120.00 1nqe s ASP 548 Ca 0.04 -0.51 0.01 0.00 0.71 0.00 0.00 52.55 52.80 1nqe s ASP 548 Cb -0.07 0.02 0.02 0.00 1.01 0.00 0.00 42.92 43.90 1nqe s ASP 548 CO 0.00 -0.17 -0.06 -0.22 0.21 0.00 0.00 175.17 174.94 1nqe s LEU 549 N -1.45 1.31 0.04 1.23 2.96 -0.84 -1.05 118.68 120.87 1nqe s LEU 549 Ca -0.08 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.69 1nqe s LEU 549 Cb -0.09 -0.53 -0.02 0.00 0.50 0.00 0.00 46.19 46.04 1nqe s LEU 549 CO 0.00 -0.06 -0.09 0.00 -1.32 0.00 0.00 176.35 174.89 1nqe s ALA 550 N 1.02 0.67 0.03 5.97 0.00 0.09 -1.18 121.76 128.35 1nqe s ALA 550 Ca -0.09 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.18 1nqe s ALA 550 Cb -0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1nqe s ALA 550 CO -0.00 0.05 -0.06 0.14 0.00 0.00 0.00 175.76 175.88 1nqe s VAL 551 N -1.10 0.40 0.15 0.00 -7.23 -0.35 -1.41 120.40 110.85 1nqe s VAL 551 Ca -0.06 -0.86 0.05 0.00 -1.81 0.00 0.00 61.98 59.30 1nqe s VAL 551 Cb -0.08 -0.46 -0.04 0.00 0.56 0.00 0.00 36.38 36.35 1nqe s VAL 551 CO 0.01 -0.31 -0.12 0.00 -0.31 0.00 0.00 175.10 174.36 1nqe s ALA 552 N -1.14 1.53 -0.18 1.32 0.00 0.46 -1.86 121.76 121.89 1nqe s ALA 552 Ca -0.09 -1.45 -0.08 0.00 0.00 0.00 0.00 51.96 50.34 1nqe s ALA 552 Cb -0.08 -0.00 0.08 0.00 0.00 0.00 0.00 23.12 23.11 1nqe s ALA 552 CO -0.00 -0.02 0.41 -0.47 0.00 0.00 0.00 175.76 175.68 1nqe s TYR 553 N -2.93 -0.71 -0.89 0.00 5.04 -0.54 -1.13 117.35 116.19 1nqe s TYR 553 Ca 0.15 1.41 -0.25 0.00 -2.44 0.00 0.00 57.07 55.95 1nqe s TYR 553 Cb -0.00 0.28 0.02 0.00 0.35 0.00 0.00 41.96 42.61 1nqe s TYR 553 CO 0.02 -0.42 1.55 -1.25 -1.34 0.00 0.00 175.55 174.11 1nqe s PRO 554 N 2.10 3.19 0.20 4.97 0.04 -1.26 -1.64 135.00 142.60 1nqe s PRO 554 Ca -0.05 -0.56 -0.11 0.00 0.04 0.00 0.00 61.00 60.33 1nqe s PRO 554 Cb -0.10 -4.91 0.17 0.00 0.04 0.00 0.00 34.50 29.69 1nqe s PRO 554 CO -0.13 -2.48 1.85 0.28 0.04 0.00 0.00 177.00 176.56 1nqe h VAL 555 N 6.72 1.10 -0.46 -0.36 2.07 -1.25 -3.45 116.25 120.61 1nqe h VAL 555 Ca 0.02 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1nqe h VAL 555 Cb 1.03 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1nqe h VAL 555 CO 1.33 0.15 0.00 0.35 0.02 0.00 0.00 177.57 179.42 1nqe n THR 556 N -4.67 0.00 0.49 2.57 -2.24 -0.91 -4.96 114.28 104.55 1nqe n THR 556 Ca 0.07 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.96 1nqe n THR 556 Cb 0.08 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.24 1nqe n THR 556 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1nqe n SER 557 N 0.00 0.54 -0.09 3.42 3.41 -1.26 -4.37 113.62 115.27 1nqe n SER 557 Ca 0.00 -0.31 -0.09 0.00 -0.26 0.00 0.00 58.87 58.21 1nqe n SER 557 Cb 0.00 1.17 -0.15 0.00 -0.26 0.00 0.00 64.21 64.97 1nqe n SER 557 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nqe n HIS 558 N -1.97 0.00 -4.16 7.33 8.25 -1.26 -4.96 115.22 118.46 1nqe n HIS 558 Ca 0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.13 1nqe n HIS 558 Cb 0.45 -0.91 -0.15 0.00 1.12 0.00 0.00 29.99 30.50 1nqe n HIS 558 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1nqe s LEU 559 N -5.37 2.65 -0.09 2.41 0.20 -1.26 -1.04 118.68 116.18 1nqe s LEU 559 Ca -0.09 -0.45 0.04 0.00 0.69 0.00 0.00 54.13 54.32 1nqe s LEU 559 Cb 0.06 -1.64 -0.01 0.00 -0.43 0.00 0.00 46.19 44.17 1nqe s LEU 559 CO 0.76 0.02 -0.22 -0.89 -0.29 0.00 0.00 176.35 175.73 1nqe s THR 560 N 1.19 2.29 0.07 3.68 2.01 -0.62 -0.64 115.64 123.62 1nqe s THR 560 Ca 0.02 -0.95 0.07 0.00 0.31 0.00 0.00 61.69 61.13 1nqe s THR 560 Cb -0.14 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 1nqe s THR 560 CO -0.04 0.56 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.62 1nqe s VAL 561 N 0.12 3.06 0.02 3.82 1.01 -0.65 -1.03 120.40 126.75 1nqe s VAL 561 Ca -0.11 -1.22 -0.02 0.00 0.00 0.00 0.00 61.98 60.63 1nqe s VAL 561 Cb -0.16 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1nqe s VAL 561 CO 0.06 0.24 0.03 -0.13 0.00 0.00 0.00 175.10 175.30 1nqe s ARG 562 N -1.77 0.37 0.05 2.72 0.52 0.13 -1.47 118.95 119.50 1nqe s ARG 562 Ca 0.17 -0.55 -0.00 0.00 -0.52 0.00 0.00 55.73 54.83 1nqe s ARG 562 Cb -0.11 0.14 -0.03 0.00 0.52 0.00 0.00 34.95 35.47 1nqe s ARG 562 CO 0.09 -0.07 -0.04 0.20 0.02 0.00 0.00 175.30 175.50 1nqe s GLY 563 N -1.46 0.44 -0.09 -3.53 0.00 -0.77 -0.03 107.32 101.88 1nqe s GLY 563 Ca -0.15 -1.01 -0.10 0.00 0.00 0.00 0.00 44.72 43.45 1nqe s GLY 563 CO -0.00 -1.11 0.27 1.25 0.00 0.00 0.00 173.10 173.51 1nqe s LYS 564 N -3.02 0.37 -0.25 2.90 2.20 0.04 -1.22 119.74 120.76 1nqe s LYS 564 Ca -0.00 0.27 0.03 0.00 -0.36 0.00 0.00 55.97 55.90 1nqe s LYS 564 Cb 0.01 0.17 0.06 0.00 -1.51 0.00 0.00 37.83 36.56 1nqe s LYS 564 CO -0.06 -0.06 -0.10 0.42 -0.36 0.00 0.00 175.35 175.19 1nqe s ILE 565 N -0.11 2.08 -0.02 5.43 1.01 -0.33 -0.56 121.20 128.70 1nqe s ILE 565 Ca -0.02 -1.57 -0.07 0.00 0.00 0.00 0.00 60.65 58.99 1nqe s ILE 565 Cb -0.03 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.19 1nqe s ILE 565 CO 0.01 -0.02 0.26 0.00 0.00 0.00 0.00 174.94 175.18 1nqe s ALA 566 N 1.14 3.84 -0.74 9.38 0.00 0.66 -1.98 121.76 134.06 1nqe s ALA 566 Ca -0.08 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.29 1nqe s ALA 566 Cb -0.20 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.85 1nqe s ALA 566 CO -0.05 0.63 0.65 -1.71 0.00 0.00 0.00 175.76 175.28 1nqe n ASN 567 N 1.35 -6.45 0.18 0.00 2.85 -0.83 -1.49 115.26 110.87 1nqe n ASN 567 Ca -0.13 -0.41 0.04 0.00 -0.11 0.00 0.00 54.58 53.96 1nqe n ASN 567 Cb 0.53 -3.59 0.44 0.00 1.24 0.00 0.00 39.78 38.40 1nqe n ASN 567 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1nqe h LEU 568 N 0.34 0.07 -2.51 1.20 5.85 -1.02 -2.64 115.31 116.62 1nqe h LEU 568 Ca -0.30 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1nqe h LEU 568 Cb 1.19 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1nqe h LEU 568 CO 0.32 0.28 0.00 0.49 -0.34 0.00 0.00 178.44 179.19 1nqe n PHE 569 N -4.26 1.06 -3.83 1.25 3.01 -1.26 -4.95 117.46 108.47 1nqe n PHE 569 Ca -0.02 -0.46 -0.28 0.00 1.01 0.00 0.00 57.45 57.70 1nqe n PHE 569 Cb 0.28 -0.11 0.03 0.00 -0.01 0.00 0.00 39.48 39.68 1nqe n PHE 569 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1nqe n ASP 570 N 1.14 -4.26 -4.74 4.37 2.03 -0.99 -4.91 116.55 109.19 1nqe n ASP 570 Ca 0.22 -0.76 -0.41 0.00 0.52 0.00 0.00 54.79 54.35 1nqe n ASP 570 Cb 0.65 -4.06 -0.03 0.00 -0.72 0.00 0.00 41.12 36.97 1nqe n ASP 570 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1nqe s LYS 571 N -6.45 4.32 -0.31 -0.67 2.47 -1.26 -4.82 119.74 113.01 1nqe s LYS 571 Ca 0.52 2.19 -0.22 0.00 -1.56 0.00 0.00 55.97 56.90 1nqe s LYS 571 Cb -0.26 -3.15 -0.00 0.00 -1.46 0.00 0.00 37.83 32.96 1nqe s LYS 571 CO 0.81 -0.35 0.73 0.34 0.16 0.00 0.00 175.35 177.05 1nqe s ASP 572 N 0.38 6.59 0.20 1.43 -1.08 -1.26 -4.68 116.67 118.25 1nqe s ASP 572 Ca 0.58 0.55 -0.21 0.00 -0.52 0.00 0.00 52.55 52.96 1nqe s ASP 572 Cb -0.39 -2.38 0.05 0.00 -1.46 0.00 0.00 42.92 38.73 1nqe s ASP 572 CO 0.40 -0.57 0.60 -0.72 0.52 0.00 0.00 175.17 175.40 1nqe s TYR 573 N 2.84 -0.33 0.05 -5.34 -0.85 -1.26 -5.12 117.35 107.33 1nqe s TYR 573 Ca 0.30 0.02 0.05 0.00 -0.52 0.00 0.00 57.07 56.92 1nqe s TYR 573 Cb -0.14 0.54 -0.02 0.00 0.38 0.00 0.00 41.96 42.71 1nqe s TYR 573 CO 0.13 -0.95 -0.13 -1.21 -1.52 0.00 0.00 175.55 171.86 1nqe s GLU 574 N -3.82 0.86 -0.04 -3.49 2.02 -1.26 -3.32 118.70 109.65 1nqe s GLU 574 Ca 0.06 -0.79 0.22 0.00 0.02 0.00 0.00 54.97 54.47 1nqe s GLU 574 Cb -0.02 -0.85 -0.31 0.00 0.10 0.00 0.00 34.13 33.05 1nqe s GLU 574 CO -0.06 0.20 0.47 0.25 0.02 0.00 0.00 175.26 176.14 1nqe n THR 575 N 1.74 0.20 -4.21 3.63 -2.24 -1.26 -4.85 114.28 107.29 1nqe n THR 575 Ca -0.19 -0.54 -0.32 0.00 -2.27 0.00 0.00 64.05 60.73 1nqe n THR 575 Cb 0.55 -0.08 -0.16 0.00 -2.10 0.00 0.00 70.33 68.54 1nqe n THR 575 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nqe s VAL 576 N -3.39 1.89 0.02 2.28 1.01 -1.26 -4.68 120.40 116.27 1nqe s VAL 576 Ca -0.08 -0.84 -0.35 0.00 0.00 0.00 0.00 61.98 60.71 1nqe s VAL 576 Cb 0.13 -1.71 -0.14 0.00 0.00 0.00 0.00 36.38 34.65 1nqe s VAL 576 CO 0.89 0.51 1.63 0.00 0.00 0.00 0.00 175.10 178.13 1nqe n TYR 577 N 4.54 2.09 0.00 5.22 9.36 -1.26 -1.49 117.16 135.62 1nqe n TYR 577 Ca -0.20 0.32 0.00 0.00 3.32 0.00 0.00 57.90 61.34 1nqe n TYR 577 Cb 0.50 -2.52 0.00 0.00 -0.63 0.00 0.00 39.34 36.70 1nqe n TYR 577 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1nqe n GLY 578 N 3.58 2.00 3.26 2.98 0.00 -1.26 -4.85 105.19 110.89 1nqe n GLY 578 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1nqe n GLY 578 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nqe s TYR 579 N -2.54 3.25 0.24 1.61 1.51 -0.56 -5.08 117.35 115.79 1nqe s TYR 579 Ca 0.00 -1.48 -0.30 0.00 -1.01 0.00 0.00 57.07 54.28 1nqe s TYR 579 Cb 0.00 -2.24 -0.09 0.00 -0.11 0.00 0.00 41.96 39.52 1nqe s TYR 579 CO 0.00 -0.73 1.23 -1.14 -1.11 0.00 0.00 175.55 173.80 1nqe s GLN 580 N 1.38 4.47 0.78 -0.62 0.74 -1.26 -4.40 119.66 120.75 1nqe s GLN 580 Ca -0.02 1.99 -0.03 0.00 0.05 0.00 0.00 55.36 57.35 1nqe s GLN 580 Cb -0.19 -3.18 0.16 0.00 1.10 0.00 0.00 33.01 30.89 1nqe s GLN 580 CO 0.02 -0.09 1.07 0.95 -0.55 0.00 0.00 175.29 176.69 1nqe s THR 581 N -0.49 2.02 0.11 -0.34 -4.23 -1.21 -4.28 115.64 107.22 1nqe s THR 581 Ca 0.51 -0.53 -0.16 0.00 -1.18 0.00 0.00 61.69 60.33 1nqe s THR 581 Cb -0.35 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 1nqe s THR 581 CO 0.42 0.00 1.56 0.00 -0.54 0.00 0.00 174.62 176.06 1nqe h ALA 582 N -0.77 0.45 0.00 3.99 0.00 -1.90 -3.48 119.26 117.56 1nqe h ALA 582 Ca -0.36 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1nqe h ALA 582 Cb 1.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1nqe h ALA 582 CO 0.37 0.19 0.00 0.41 0.00 0.00 0.00 179.25 180.21 1nqe n GLY 583 N -0.40 -2.50 3.68 0.00 0.00 -1.26 -4.92 105.19 99.80 1nqe n GLY 583 Ca -0.02 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 1nqe n GLY 583 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nqe s ARG 584 N -0.37 4.20 0.10 1.61 3.52 -1.25 -4.70 118.95 122.06 1nqe s ARG 584 Ca 0.00 2.30 0.08 0.00 -0.13 0.00 0.00 55.73 57.98 1nqe s ARG 584 Cb 0.00 -3.69 -0.03 0.00 -1.56 0.00 0.00 34.95 29.67 1nqe s ARG 584 CO 0.00 -0.75 -0.21 -1.21 -0.81 0.00 0.00 175.30 172.32 1nqe s GLU 585 N 2.95 1.13 -0.02 5.12 2.02 -0.56 -4.97 118.70 124.37 1nqe s GLU 585 Ca 0.74 -1.16 0.07 0.00 0.02 0.00 0.00 54.97 54.64 1nqe s GLU 585 Cb -0.38 -1.40 -0.02 0.00 0.10 0.00 0.00 34.13 32.43 1nqe s GLU 585 CO 0.32 0.33 -0.24 0.71 0.02 0.00 0.00 175.26 176.40 1nqe s TYR 586 N -1.16 2.39 0.01 1.61 1.51 -1.26 -0.25 117.35 120.21 1nqe s TYR 586 Ca 0.07 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.75 1nqe s TYR 586 Cb -0.10 -1.51 -0.01 0.00 -0.11 0.00 0.00 41.96 40.23 1nqe s TYR 586 CO 0.04 0.02 -0.05 0.99 -1.11 0.00 0.00 175.55 175.44 1nqe s THR 587 N -0.65 0.35 -0.05 -0.71 2.01 0.27 -0.96 115.64 115.91 1nqe s THR 587 Ca 0.10 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.66 1nqe s THR 587 Cb -0.10 -0.35 0.02 0.00 0.01 0.00 0.00 72.50 72.08 1nqe s THR 587 CO -0.00 -0.07 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.57 1nqe s LEU 588 N -0.57 1.40 0.15 4.42 1.98 -0.02 -0.78 118.68 125.26 1nqe s LEU 588 Ca -0.03 -0.16 -0.08 0.00 -2.89 0.00 0.00 54.13 50.97 1nqe s LEU 588 Cb -0.04 -0.52 -0.01 0.00 0.66 0.00 0.00 46.19 46.28 1nqe s LEU 588 CO -0.00 -0.04 0.26 -0.94 -1.89 0.00 0.00 176.35 173.74 1nqe s SER 589 N 0.85 0.06 0.13 3.68 1.04 0.95 -0.81 113.70 119.61 1nqe s SER 589 Ca -0.12 -0.86 -0.10 0.00 0.48 0.00 0.00 55.95 55.36 1nqe s SER 589 Cb -0.15 0.42 -0.00 0.00 0.10 0.00 0.00 66.02 66.39 1nqe s SER 589 CO 0.01 -0.86 0.27 -0.83 0.98 0.00 0.00 173.24 172.80 1nqe s GLY 590 N -2.96 0.26 -0.08 7.32 0.00 -0.28 0.23 107.32 111.81 1nqe s GLY 590 Ca 0.16 -0.70 -0.04 0.00 0.00 0.00 0.00 44.72 44.14 1nqe s GLY 590 CO -0.01 -0.76 0.19 -0.56 0.00 0.00 0.00 173.10 171.95 1nqe s SER 591 N -2.91 -0.16 -0.17 1.64 0.01 -0.20 -1.89 113.70 110.02 1nqe s SER 591 Ca 0.11 0.40 0.01 0.00 1.31 0.00 0.00 55.95 57.79 1nqe s SER 591 Cb 0.04 0.29 0.02 0.00 0.21 0.00 0.00 66.02 66.58 1nqe s SER 591 CO -0.05 -0.16 -0.19 -0.47 0.41 0.00 0.00 173.24 172.78 1nqe s TYR 592 N 1.25 2.66 -0.08 2.43 6.14 0.75 -1.58 117.35 128.92 1nqe s TYR 592 Ca -0.09 -1.56 0.02 0.00 0.64 0.00 0.00 57.07 56.08 1nqe s TYR 592 Cb -0.11 -1.86 -0.02 0.00 0.42 0.00 0.00 41.96 40.39 1nqe s TYR 592 CO -0.07 -0.78 -0.11 0.99 0.64 0.00 0.00 175.55 176.22 1nqe s THR 593 N 1.31 3.29 0.00 4.34 2.01 -0.20 -1.04 115.64 125.34 1nqe s THR 593 Ca 0.05 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.42 1nqe s THR 593 Cb -0.13 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.05 1nqe s THR 593 CO -0.12 0.57 0.00 2.22 -0.69 0.00 0.00 174.62 176.60