#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqy h ARG 2 N 0.00 0.45 -0.01 1.61 0.11 -2.02 -3.34 114.38 111.18 1sqy h ARG 2 Ca 0.00 -0.25 0.00 0.00 0.10 0.00 0.00 59.98 59.83 1sqy h ARG 2 Cb 0.00 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1sqy h ARG 2 CO 0.00 0.83 -0.49 0.54 0.10 0.00 0.00 179.97 180.95 1sqy n ARG 3 N -3.98 0.84 -0.25 0.08 1.74 -1.26 -4.53 116.66 109.29 1sqy n ARG 3 Ca -0.02 -0.63 0.07 0.00 -0.77 0.00 0.00 57.85 56.50 1sqy n ARG 3 Cb 0.55 -1.49 0.15 0.00 -1.02 0.00 0.00 32.46 30.66 1sqy n ARG 3 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1sqy n ARG 4 N -0.53 -0.06 -3.60 5.56 3.00 -1.25 -4.53 116.66 115.24 1sqy n ARG 4 Ca 0.09 1.10 -0.09 0.00 -0.01 0.00 0.00 57.85 58.94 1sqy n ARG 4 Cb 0.40 -1.69 -0.06 0.00 0.00 0.00 0.00 32.46 31.12 1sqy n ARG 4 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1sqy s SER 5 N -5.10 -0.35 -0.20 0.55 0.15 -1.26 -4.69 113.70 102.80 1sqy s SER 5 Ca -0.10 0.47 -0.10 0.00 0.70 0.00 0.00 55.95 56.92 1sqy s SER 5 Cb 0.20 0.41 -0.05 0.00 -1.71 0.00 0.00 66.02 64.87 1sqy s SER 5 CO 0.56 -0.26 0.12 -0.69 1.20 0.00 0.00 173.24 174.17 1sqy s VAL 6 N -0.75 5.34 -0.46 4.45 1.01 -1.05 -4.95 120.40 124.00 1sqy s VAL 6 Ca 0.00 0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.01 1sqy s VAL 6 Cb -0.02 -3.43 0.07 0.00 0.00 0.00 0.00 36.38 33.00 1sqy s VAL 6 CO -0.02 0.45 0.36 -1.10 0.00 0.00 0.00 175.10 174.80 1sqy s GLN 7 N 0.32 2.89 -0.02 2.72 -0.21 -1.26 -0.99 119.66 123.11 1sqy s GLN 7 Ca 0.08 -1.38 -0.26 0.00 0.02 0.00 0.00 55.36 53.82 1sqy s GLN 7 Cb -0.11 -4.05 -0.04 0.00 1.00 0.00 0.00 33.01 29.81 1sqy s GLN 7 CO -0.02 -1.01 0.81 -0.46 -2.12 0.00 0.00 175.29 172.49 1sqy s TRP 8 N 1.59 3.64 -0.33 0.91 -0.11 -0.03 0.54 118.94 125.15 1sqy s TRP 8 Ca 0.04 1.45 -0.15 0.00 1.22 0.00 0.00 56.10 58.66 1sqy s TRP 8 Cb -0.24 -2.91 -0.02 0.00 -1.50 0.00 0.00 33.47 28.80 1sqy s TRP 8 CO 0.06 0.10 0.35 0.00 -4.62 0.00 0.00 176.95 172.84 1sqy s THR 10 N 2.01 5.01 -0.95 0.00 -4.23 -0.57 -4.79 115.64 112.11 1sqy s THR 10 Ca 0.12 -0.10 0.10 0.00 -1.18 0.00 0.00 61.69 60.62 1sqy s THR 10 Cb -0.16 -3.85 0.01 0.00 1.34 0.00 0.00 72.50 69.84 1sqy s THR 10 CO 0.11 -0.66 0.65 1.33 -0.54 0.00 0.00 174.62 175.52 1sqy n VAL 11 N -1.88 0.00 -3.99 2.29 0.24 -1.26 -2.67 118.33 111.06 1sqy n VAL 11 Ca -0.02 -0.42 -0.10 0.00 -2.04 0.00 0.00 64.34 61.76 1sqy n VAL 11 Cb 0.55 1.13 -0.04 0.00 -1.47 0.00 0.00 33.84 34.01 1sqy n VAL 11 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1sqy s SER 12 N -1.23 0.05 -0.01 -1.34 1.04 -1.25 -4.01 113.70 106.95 1sqy s SER 12 Ca 0.09 -1.01 -0.25 0.00 0.48 0.00 0.00 55.95 55.26 1sqy s SER 12 Cb 0.08 0.62 -0.18 0.00 0.10 0.00 0.00 66.02 66.64 1sqy s SER 12 CO 0.22 -1.21 1.21 -1.13 0.98 0.00 0.00 173.24 173.31 1sqy h ASN 13 N 2.21 -0.12 -0.30 7.02 -1.24 -1.96 -1.22 115.58 119.96 1sqy h ASN 13 Ca -0.26 -0.36 0.05 0.00 0.71 0.00 0.00 56.30 56.43 1sqy h ASN 13 Cb 1.25 0.03 -0.02 0.00 0.73 0.00 0.00 38.32 40.32 1sqy h ASN 13 CO 0.36 0.32 0.20 -0.65 -1.29 0.00 0.00 177.43 176.37 1sqy h PRO 14 N -0.60 0.18 -0.48 6.67 0.11 -1.99 0.41 132.00 136.30 1sqy h PRO 14 Ca -0.02 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 1sqy h PRO 14 Cb 0.48 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1sqy h PRO 14 CO 0.02 0.12 -0.11 1.49 -0.21 0.00 0.00 178.00 179.32 1sqy h GLU 15 N 0.19 0.93 -0.47 1.05 4.81 -1.95 -1.93 114.58 117.22 1sqy h GLU 15 Ca 0.13 -0.35 0.03 0.00 -0.13 0.00 0.00 59.36 59.04 1sqy h GLU 15 Cb 0.28 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1sqy h GLU 15 CO -0.02 1.01 0.26 0.00 -0.73 0.00 0.00 179.01 179.53 1sqy h ALA 16 N 0.89 0.60 0.16 2.92 0.00 0.10 -0.13 119.26 123.81 1sqy h ALA 16 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1sqy h ALA 16 Cb 0.66 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1sqy h ALA 16 CO 0.05 -0.07 -0.43 1.15 0.00 0.00 0.00 179.25 179.95 1sqy h THR 17 N 0.52 0.14 -0.88 0.00 2.02 -0.71 -0.89 112.91 113.11 1sqy h THR 17 Ca 0.20 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.48 1sqy h THR 17 Cb 0.06 0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 66.55 1sqy h THR 17 CO -0.11 0.00 0.57 0.50 0.37 0.00 0.00 175.52 176.85 1sqy h LYS 18 N -0.69 0.84 0.00 6.66 3.64 -1.10 0.18 116.57 126.09 1sqy h LYS 18 Ca 0.01 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1sqy h LYS 18 Cb 0.70 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1sqy h LYS 18 CO -0.23 0.55 -0.13 0.00 -2.27 0.00 0.00 179.45 177.38 1sqy h PHE 20 N 0.00 0.96 -0.11 0.00 0.04 0.64 -2.37 116.94 116.10 1sqy h PHE 20 Ca -0.00 -0.53 -0.00 0.00 2.80 0.00 0.00 57.97 60.23 1sqy h PHE 20 Cb 0.23 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.27 1sqy h PHE 20 CO 0.00 1.37 0.06 1.96 -0.60 0.00 0.00 178.31 181.10 1sqy h GLN 21 N 0.35 0.15 -1.00 1.51 4.20 -0.81 -1.55 115.11 117.96 1sqy h GLN 21 Ca -0.13 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.68 1sqy h GLN 21 Cb 1.70 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 29.37 1sqy h GLN 21 CO 0.20 0.18 0.63 2.35 -0.67 0.00 0.00 178.83 181.52 1sqy h TRP 22 N 0.08 1.14 -0.88 2.96 7.01 -1.25 -0.81 115.95 124.20 1sqy h TRP 22 Ca 0.04 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.09 1sqy h TRP 22 Cb 0.08 -0.36 -0.05 0.00 -2.10 0.00 0.00 29.16 26.73 1sqy h TRP 22 CO -0.04 0.47 0.58 0.37 -2.79 0.00 0.00 178.44 177.02 1sqy h GLN 23 N 1.01 1.12 0.09 2.65 4.15 -0.75 -2.13 115.11 121.25 1sqy h GLN 23 Ca 0.49 -0.07 -0.28 0.00 0.77 0.00 0.00 58.65 59.56 1sqy h GLN 23 Cb 0.45 -0.25 0.02 0.00 0.21 0.00 0.00 27.48 27.91 1sqy h GLN 23 CO -0.25 0.74 -1.17 0.07 -1.93 0.00 0.00 178.83 176.29 1sqy h ARG 24 N 1.16 0.54 0.00 1.69 0.11 -0.50 -2.96 114.38 114.42 1sqy h ARG 24 Ca 0.33 -0.70 -0.04 0.00 0.10 0.00 0.00 59.98 59.67 1sqy h ARG 24 Cb -0.08 0.23 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 1sqy h ARG 24 CO -0.09 1.30 -0.20 -0.91 0.10 0.00 0.00 179.97 180.17 1sqy h ASN 25 N 0.25 0.00 1.34 0.08 2.35 -1.21 0.29 115.58 118.67 1sqy h ASN 25 Ca -0.16 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.56 1sqy h ASN 25 Cb 1.84 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.21 1sqy h ASN 25 CO 0.22 0.20 -0.17 0.24 -1.65 0.00 0.00 177.43 176.27 1sqy h MET 26 N 0.00 0.00 -0.61 0.81 2.86 -1.39 -2.46 114.93 114.14 1sqy h MET 26 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1sqy h MET 26 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1sqy h MET 26 CO 0.03 0.17 0.00 -2.13 1.06 0.00 0.00 176.91 176.04 1sqy n ARG 27 N -3.22 2.69 0.00 1.72 0.00 0.69 -0.16 116.66 118.38 1sqy n ARG 27 Ca 0.02 -2.50 0.02 0.00 -0.00 0.00 0.00 57.85 55.39 1sqy n ARG 27 Cb 0.49 -1.51 -0.00 0.00 0.00 0.00 0.00 32.46 31.44 1sqy n ARG 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1sqy n ARG 28 N 1.43 2.72 0.00 -0.14 0.63 0.60 -4.46 116.66 117.45 1sqy n ARG 28 Ca 0.21 -0.38 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1sqy n ARG 28 Cb 0.58 -0.89 0.00 0.00 0.45 0.00 0.00 32.46 32.60 1sqy n ARG 28 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1sqy n VAL 29 N -0.44 0.30 -3.37 5.15 0.31 -1.06 -5.03 118.33 114.20 1sqy n VAL 29 Ca 0.02 -0.38 -0.17 0.00 -0.01 0.00 0.00 64.34 63.80 1sqy n VAL 29 Cb 0.10 1.03 0.08 0.00 -0.91 0.00 0.00 33.84 34.14 1sqy n VAL 29 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1sqy n ARG 30 N -0.15 -6.39 -2.31 5.55 5.12 -1.21 -5.04 116.66 112.23 1sqy n ARG 30 Ca 0.00 0.79 -0.13 0.00 -1.93 0.00 0.00 57.85 56.59 1sqy n ARG 30 Cb 0.30 -5.66 0.04 0.00 -1.16 0.00 0.00 32.46 25.99 1sqy n ARG 30 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sqy n GLY 31 N -1.23 2.04 3.74 -0.13 0.00 0.77 -5.03 105.19 105.35 1sqy n GLY 31 Ca -0.23 -2.20 -0.37 0.00 0.00 0.00 0.00 46.02 43.22 1sqy n GLY 31 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sqy s PRO 32 N -3.63 2.83 0.35 1.61 0.02 -1.26 -4.75 135.00 130.18 1sqy s PRO 32 Ca 0.36 2.05 -0.25 0.00 0.02 0.00 0.00 61.00 63.18 1sqy s PRO 32 Cb -0.03 -1.99 -0.10 0.00 0.02 0.00 0.00 34.50 32.41 1sqy s PRO 32 CO 0.23 -1.37 0.98 -2.14 -0.33 0.00 0.00 177.00 174.37 1sqy s PRO 33 N -3.23 4.43 -0.04 5.54 0.02 -1.26 -4.85 135.00 135.62 1sqy s PRO 33 Ca 0.78 1.37 -0.02 0.00 0.02 0.00 0.00 61.00 63.15 1sqy s PRO 33 Cb -0.36 -2.68 0.02 0.00 0.02 0.00 0.00 34.50 31.50 1sqy s PRO 33 CO 0.40 0.13 0.09 0.54 -0.33 0.00 0.00 177.00 177.83 1sqy s VAL 34 N -1.67 -0.02 0.15 3.83 0.11 -1.26 -2.52 120.40 119.01 1sqy s VAL 34 Ca 0.53 0.09 0.08 0.00 -2.93 0.00 0.00 61.98 59.75 1sqy s VAL 34 Cb -0.19 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 1sqy s VAL 34 CO 0.24 0.04 -0.18 -0.94 -3.33 0.00 0.00 175.10 170.93 1sqy s SER 35 N 0.54 2.55 -0.02 3.54 1.04 -0.16 -4.65 113.70 116.53 1sqy s SER 35 Ca -0.04 -0.83 0.03 0.00 0.48 0.00 0.00 55.95 55.59 1sqy s SER 35 Cb -0.06 -0.14 -0.03 0.00 0.10 0.00 0.00 66.02 65.89 1sqy s SER 35 CO -0.02 -0.04 -0.08 0.00 0.98 0.00 0.00 173.24 174.08 1sqy s VAL 37 N -0.91 1.81 0.08 0.00 1.01 -0.73 -4.95 120.40 116.71 1sqy s VAL 37 Ca 0.15 -1.52 0.07 0.00 0.00 0.00 0.00 61.98 60.68 1sqy s VAL 37 Cb -0.11 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1sqy s VAL 37 CO 0.05 0.02 -0.12 -0.54 0.00 0.00 0.00 175.10 174.51 1sqy s LYS 38 N -1.80 2.11 0.34 2.72 3.01 -1.26 -1.52 119.74 123.35 1sqy s LYS 38 Ca 0.08 -1.00 -0.13 0.00 -1.01 0.00 0.00 55.97 53.90 1sqy s LYS 38 Cb -0.10 -2.28 0.03 0.00 -1.01 0.00 0.00 37.83 34.47 1sqy s LYS 38 CO 0.04 0.52 0.67 1.03 0.51 0.00 0.00 175.35 178.12 1sqy s ARG 39 N -1.97 2.00 0.00 1.68 1.81 -1.09 -4.95 118.95 116.43 1sqy s ARG 39 Ca 0.19 -1.41 0.05 0.00 -1.72 0.00 0.00 55.73 52.84 1sqy s ARG 39 Cb -0.11 0.56 0.12 0.00 -0.45 0.00 0.00 34.95 35.07 1sqy s ARG 39 CO 0.11 -0.90 1.00 -0.25 -0.68 0.00 0.00 175.30 174.58 1sqy n ASP 40 N -1.12 2.17 -3.50 0.23 8.00 -1.26 -3.79 116.55 117.27 1sqy n ASP 40 Ca -0.05 -1.79 -0.10 0.00 0.71 0.00 0.00 54.79 53.56 1sqy n ASP 40 Cb 0.60 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 1sqy n ASP 40 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1sqy s SER 41 N -0.85 -0.43 0.16 -2.24 1.04 -1.26 -4.87 113.70 105.26 1sqy s SER 41 Ca 0.10 0.14 -0.18 0.00 0.48 0.00 0.00 55.95 56.48 1sqy s SER 41 Cb 0.05 0.42 0.07 0.00 0.10 0.00 0.00 66.02 66.67 1sqy s SER 41 CO 0.07 -0.63 1.66 -0.65 0.98 0.00 0.00 173.24 174.68 1sqy h PRO 42 N 2.19 -0.05 -0.95 4.02 0.11 -1.95 -0.80 132.00 134.57 1sqy h PRO 42 Ca -0.24 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.01 1sqy h PRO 42 Cb 1.23 0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 1sqy h PRO 42 CO 0.33 -0.03 0.61 1.15 -0.21 0.00 0.00 178.00 179.84 1sqy h THR 43 N -0.05 0.86 -0.31 -1.15 2.02 -1.98 0.44 112.91 112.74 1sqy h THR 43 Ca 0.17 -0.29 -0.08 0.00 0.77 0.00 0.00 66.41 66.98 1sqy h THR 43 Cb 0.31 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 1sqy h THR 43 CO -0.39 0.15 -0.12 1.56 0.37 0.00 0.00 175.52 177.10 1sqy h GLN 44 N 0.84 0.63 -0.55 6.66 4.20 -1.69 -0.33 115.11 124.87 1sqy h GLN 44 Ca 0.48 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.88 1sqy h GLN 44 Cb 0.63 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 1sqy h GLN 44 CO -0.25 0.84 0.15 0.00 -0.67 0.00 0.00 178.83 178.90 1sqy h ILE 46 N 0.81 1.17 -0.26 0.00 2.04 0.14 -0.32 117.51 121.10 1sqy h ILE 46 Ca 0.18 -0.48 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 1sqy h ILE 46 Cb 0.27 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1sqy h ILE 46 CO -0.00 0.19 -0.06 1.56 0.00 0.00 0.00 178.15 179.83 1sqy h GLN 47 N 0.57 0.51 -0.54 2.37 4.20 -0.45 -2.36 115.11 119.41 1sqy h GLN 47 Ca 0.15 -0.19 0.11 0.00 0.06 0.00 0.00 58.65 58.78 1sqy h GLN 47 Cb 0.10 -0.03 -0.10 0.00 0.30 0.00 0.00 27.48 27.75 1sqy h GLN 47 CO -0.02 0.72 -0.07 0.00 -0.67 0.00 0.00 178.83 178.79 1sqy h ALA 48 N 0.77 0.43 -0.54 3.87 0.00 0.82 -1.73 119.26 122.88 1sqy h ALA 48 Ca 0.07 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1sqy h ALA 48 Cb 0.53 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1sqy h ALA 48 CO 0.03 -0.42 0.20 0.82 0.00 0.00 0.00 179.25 179.88 1sqy h ILE 49 N 0.05 1.22 0.00 0.00 2.04 -0.94 -1.82 117.51 118.07 1sqy h ILE 49 Ca 0.27 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1sqy h ILE 49 Cb 0.42 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1sqy h ILE 49 CO -0.51 0.27 -0.08 0.00 0.00 0.00 0.00 178.15 177.83 1sqy h ALA 50 N 1.05 1.03 -0.90 1.87 0.00 -0.86 -2.91 119.26 118.55 1sqy h ALA 50 Ca 0.18 -0.07 -0.46 0.00 0.00 0.00 0.00 54.91 54.55 1sqy h ALA 50 Cb 0.22 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 17.72 1sqy h ALA 50 CO -0.01 0.10 0.59 0.39 0.00 0.00 0.00 179.25 180.32 1sqy n GLU 51 N -3.23 2.17 -1.89 0.00 1.02 -0.71 -4.92 120.64 113.09 1sqy n GLU 51 Ca 0.00 -2.73 -0.11 0.00 -0.02 0.00 0.00 57.16 54.30 1sqy n GLU 51 Cb 0.33 -2.07 -0.03 0.00 -0.02 0.00 0.00 31.44 29.66 1sqy n GLU 51 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sqy n ASN 52 N -0.97 -3.17 -0.92 1.62 3.02 -1.10 -4.79 115.26 108.94 1sqy n ASN 52 Ca 0.54 0.25 0.08 0.00 -0.03 0.00 0.00 54.58 55.42 1sqy n ASN 52 Cb 1.56 -2.87 0.22 0.00 -0.61 0.00 0.00 39.78 38.08 1sqy n ASN 52 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1sqy n ARG 53 N -2.24 2.92 -3.58 3.52 1.74 -0.71 -4.98 116.66 113.32 1sqy n ARG 53 Ca -0.12 -2.34 -0.05 0.00 -0.77 0.00 0.00 57.85 54.57 1sqy n ARG 53 Cb 0.48 -1.45 -0.02 0.00 -1.02 0.00 0.00 32.46 30.45 1sqy n ARG 53 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sqy s ALA 54 N -1.22 -1.90 -0.10 7.54 0.00 -1.22 -4.86 121.76 119.99 1sqy s ALA 54 Ca 0.34 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1sqy s ALA 54 Cb 0.19 0.32 -0.07 0.00 0.00 0.00 0.00 23.12 23.56 1sqy s ALA 54 CO 0.20 -0.77 -0.09 -0.25 0.00 0.00 0.00 175.76 174.85 1sqy n ASP 55 N -0.27 3.03 -4.02 0.00 8.00 0.19 -4.40 116.55 119.07 1sqy n ASP 55 Ca -0.06 -0.04 -0.09 0.00 0.71 0.00 0.00 54.79 55.31 1sqy n ASP 55 Cb 0.61 -0.17 -0.09 0.00 -0.02 0.00 0.00 41.12 41.45 1sqy n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sqy s ALA 56 N -2.20 0.33 -0.22 2.24 0.00 -0.97 -4.41 121.76 116.52 1sqy s ALA 56 Ca -0.14 -1.08 -0.27 0.00 0.00 0.00 0.00 51.96 50.48 1sqy s ALA 56 Cb 0.04 0.65 0.08 0.00 0.00 0.00 0.00 23.12 23.89 1sqy s ALA 56 CO 0.23 -0.51 0.76 0.54 0.00 0.00 0.00 175.76 176.79 1sqy s VAL 57 N -3.96 0.00 -0.09 0.00 0.11 -1.20 -1.64 120.40 113.63 1sqy s VAL 57 Ca 0.14 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.00 1sqy s VAL 57 Cb 0.06 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 1sqy s VAL 57 CO -0.04 0.00 0.52 -0.89 -3.33 0.00 0.00 175.10 171.36 1sqy s THR 58 N -0.06 5.12 0.12 5.04 2.01 -1.26 -0.96 115.64 125.66 1sqy s THR 58 Ca -0.02 1.05 0.05 0.00 0.31 0.00 0.00 61.69 63.08 1sqy s THR 58 Cb -0.04 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1sqy s THR 58 CO 0.02 0.34 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.42 1sqy s LEU 59 N 0.44 2.45 0.66 4.42 1.43 0.10 -4.95 118.68 123.23 1sqy s LEU 59 Ca 0.28 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 1sqy s LEU 59 Cb -0.16 -0.39 -0.01 0.00 0.03 0.00 0.00 46.19 45.66 1sqy s LEU 59 CO 0.12 -0.25 1.06 -0.62 0.23 0.00 0.00 176.35 176.89 1sqy s ASP 60 N -2.71 5.84 0.26 2.29 2.15 -1.26 -1.67 116.67 121.57 1sqy s ASP 60 Ca 0.10 1.28 -0.02 0.00 0.43 0.00 0.00 52.55 54.34 1sqy s ASP 60 Cb -0.01 -2.20 0.52 0.00 -0.30 0.00 0.00 42.92 40.92 1sqy s ASP 60 CO 0.01 -1.10 1.73 1.23 -0.17 0.00 0.00 175.17 176.86 1sqy h GLY 61 N -0.49 1.24 0.44 2.66 0.00 -1.86 -0.94 103.07 104.12 1sqy h GLY 61 Ca -0.44 -0.16 0.12 0.00 0.00 0.00 0.00 47.33 46.84 1sqy h GLY 61 CO 0.63 -0.12 0.55 -1.33 0.00 0.00 0.00 176.54 176.26 1sqy h GLY 62 N 0.45 1.48 1.15 4.60 0.00 -1.90 -0.98 103.07 107.88 1sqy h GLY 62 Ca 0.45 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1sqy h GLY 62 CO -0.43 0.11 -0.38 0.69 0.00 0.00 0.00 176.54 176.53 1sqy n PHE 63 N -4.71 0.00 -0.16 5.60 3.72 -0.48 -3.13 117.46 118.31 1sqy n PHE 63 Ca 0.17 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.46 1sqy n PHE 63 Cb 0.35 -0.29 -0.00 0.00 -0.94 0.00 0.00 39.48 38.59 1sqy n PHE 63 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1sqy h ILE 64 N 0.07 1.27 -0.32 4.37 1.08 0.02 -0.74 117.51 123.25 1sqy h ILE 64 Ca 0.00 -1.27 0.00 0.00 -0.39 0.00 0.00 64.86 63.20 1sqy h ILE 64 Cb 0.50 1.10 -0.02 0.00 -3.07 0.00 0.00 36.82 35.33 1sqy h ILE 64 CO 0.00 0.44 0.21 0.22 -0.69 0.00 0.00 178.15 178.33 1sqy h TYR 65 N 0.78 0.41 -0.45 1.37 3.20 -1.35 -2.61 116.97 118.31 1sqy h TYR 65 Ca 0.12 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 1sqy h TYR 65 Cb 0.69 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1sqy h TYR 65 CO 0.05 0.27 -0.10 0.93 -1.64 0.00 0.00 178.16 177.68 1sqy h GLU 66 N 0.43 0.86 0.00 1.82 4.39 -1.51 -3.01 114.58 117.56 1sqy h GLU 66 Ca 0.12 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1sqy h GLU 66 Cb -0.03 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1sqy h GLU 66 CO -0.02 0.96 0.00 0.00 -1.16 0.00 0.00 179.01 178.78 1sqy h ALA 67 N 0.87 1.00 -0.01 3.43 0.00 -0.91 -2.58 119.26 121.06 1sqy h ALA 67 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1sqy h ALA 67 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1sqy h ALA 67 CO 0.04 0.00 -0.54 0.41 0.00 0.00 0.00 179.25 179.16 1sqy n GLY 68 N -0.46 -0.67 3.84 0.00 0.00 -1.00 0.06 105.19 106.95 1sqy n GLY 68 Ca 0.00 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1sqy n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqy s LEU 69 N -2.72 2.66 0.00 0.99 1.43 -0.98 -3.79 118.68 116.28 1sqy s LEU 69 Ca 0.16 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 1sqy s LEU 69 Cb 0.18 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1sqy s LEU 69 CO 0.66 -1.78 0.00 0.00 0.23 0.00 0.00 176.35 175.45 1sqy n ALA 70 N -3.30 0.00 -0.19 4.21 0.00 -1.26 -0.99 120.51 118.98 1sqy n ALA 70 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 1sqy n ALA 70 Cb 0.57 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.06 1sqy n ALA 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1sqy h PRO 71 N 0.00 -0.05 0.39 0.00 0.11 -1.96 -3.27 132.00 127.22 1sqy h PRO 71 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 1sqy h PRO 71 Cb 0.00 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1sqy h PRO 71 CO 0.00 -0.03 -0.19 1.88 -0.21 0.00 0.00 178.00 179.45 1sqy h TYR 72 N -0.05 -0.48 -6.19 0.65 0.05 -1.70 -3.48 116.97 105.76 1sqy h TYR 72 Ca 0.27 -0.01 -0.45 0.00 0.05 0.00 0.00 58.73 58.58 1sqy h TYR 72 Cb 0.46 0.16 0.01 0.00 1.01 0.00 0.00 36.73 38.37 1sqy h TYR 72 CO -0.51 -0.30 -0.76 1.63 -1.05 0.00 0.00 178.16 177.17 1sqy n LYS 73 N -4.31 -5.78 -1.80 4.88 4.76 -0.16 -4.85 118.16 110.89 1sqy n LYS 73 Ca -0.06 0.64 -0.30 0.00 -2.87 0.00 0.00 58.31 55.72 1sqy n LYS 73 Cb 0.21 -5.49 0.07 0.00 -1.84 0.00 0.00 35.03 27.97 1sqy n LYS 73 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1sqy s LEU 74 N -7.16 2.68 0.04 -0.35 1.43 0.11 -3.83 118.68 111.60 1sqy s LEU 74 Ca 0.51 1.06 0.02 0.00 -1.03 0.00 0.00 54.13 54.70 1sqy s LEU 74 Cb -0.25 -3.71 -0.02 0.00 0.03 0.00 0.00 46.19 42.23 1sqy s LEU 74 CO 0.81 -1.69 -0.08 0.00 0.23 0.00 0.00 176.35 175.63 1sqy s ARG 75 N -5.37 0.52 0.26 1.70 1.70 0.39 -4.23 118.95 113.91 1sqy s ARG 75 Ca 0.60 -0.76 -0.30 0.00 -0.47 0.00 0.00 55.73 54.81 1sqy s ARG 75 Cb -0.12 -0.27 -0.09 0.00 -0.57 0.00 0.00 34.95 33.90 1sqy s ARG 75 CO 0.52 0.04 1.10 -1.25 -1.08 0.00 0.00 175.30 174.63 1sqy s PRO 76 N -1.60 4.64 0.00 3.89 0.04 -1.26 -1.32 135.00 139.39 1sqy s PRO 76 Ca -0.10 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1sqy s PRO 76 Cb -0.10 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1sqy s PRO 76 CO 0.00 0.20 0.00 1.33 0.04 0.00 0.00 177.00 178.57 1sqy n VAL 77 N 1.39 0.00 -3.73 -0.36 0.24 -0.46 -4.85 118.33 110.57 1sqy n VAL 77 Ca -0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 1sqy n VAL 77 Cb 0.45 0.44 -0.13 0.00 -1.47 0.00 0.00 33.84 33.13 1sqy n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sqy s ALA 78 N -1.79 -0.66 0.16 2.33 0.00 -1.21 -1.50 121.76 119.09 1sqy s ALA 78 Ca 0.00 1.08 0.04 0.00 0.00 0.00 0.00 51.96 53.08 1sqy s ALA 78 Cb 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1sqy s ALA 78 CO 0.00 -0.20 0.21 0.00 0.00 0.00 0.00 175.76 175.76 1sqy s ALA 79 N 1.21 3.77 0.36 0.00 0.00 -0.66 -0.56 121.76 125.87 1sqy s ALA 79 Ca -0.09 -1.12 -0.22 0.00 0.00 0.00 0.00 51.96 50.53 1sqy s ALA 79 Cb -0.09 -1.57 -0.10 0.00 0.00 0.00 0.00 23.12 21.35 1sqy s ALA 79 CO -0.09 0.53 0.90 -1.21 0.00 0.00 0.00 175.76 175.89 1sqy s GLU 80 N -3.16 4.33 -0.11 0.00 2.02 -0.66 -1.97 118.70 119.15 1sqy s GLU 80 Ca 0.33 1.11 -0.02 0.00 0.02 0.00 0.00 54.97 56.41 1sqy s GLU 80 Cb -0.11 -2.48 -0.03 0.00 0.10 0.00 0.00 34.13 31.61 1sqy s GLU 80 CO 0.26 0.14 -0.05 0.08 0.02 0.00 0.00 175.26 175.71 1sqy s VAL 81 N -1.91 3.86 0.03 2.63 1.01 -0.08 -4.60 120.40 121.34 1sqy s VAL 81 Ca 0.55 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1sqy s VAL 81 Cb -0.13 -2.64 -0.00 0.00 0.00 0.00 0.00 36.38 33.61 1sqy s VAL 81 CO 0.18 0.55 0.00 -1.22 0.00 0.00 0.00 175.10 174.61 1sqy n TYR 82 N 2.86 0.05 -1.60 5.22 4.01 0.21 -0.76 117.16 127.15 1sqy n TYR 82 Ca -0.18 -0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 1sqy n TYR 82 Cb 0.53 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 1sqy n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sqy n GLY 83 N 3.94 0.47 3.52 2.72 0.00 -1.26 -1.18 105.19 113.39 1sqy n GLY 83 Ca -0.01 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 1sqy n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sqy s THR 84 N 0.00 0.84 0.34 2.61 -4.23 -1.08 -4.87 115.64 109.24 1sqy s THR 84 Ca 0.00 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.63 1sqy s THR 84 Cb 0.00 -2.47 0.05 0.00 1.34 0.00 0.00 72.50 71.43 1sqy s THR 84 CO 0.00 0.00 1.75 -0.33 -0.54 0.00 0.00 174.62 175.50 1sqy h GLU 85 N 1.84 0.02 -0.03 3.99 5.08 -1.98 -1.46 114.58 122.04 1sqy h GLU 85 Ca -0.38 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 57.76 1sqy h GLU 85 Cb 1.27 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1sqy h GLU 85 CO 0.63 0.46 -0.89 0.00 -1.00 0.00 0.00 179.01 178.21 1sqy h ARG 86 N 0.01 0.45 -2.47 2.33 2.47 -1.99 -3.39 114.38 111.79 1sqy h ARG 86 Ca -0.00 -0.45 -0.59 0.00 -1.26 0.00 0.00 59.98 57.68 1sqy h ARG 86 Cb 0.80 0.12 -0.38 0.00 -1.65 0.00 0.00 29.97 28.86 1sqy h ARG 86 CO 0.06 1.10 -0.92 1.14 0.56 0.00 0.00 179.97 181.91 1sqy s GLN 87 N -3.38 0.84 0.49 0.04 -2.07 -1.03 -5.13 119.66 109.43 1sqy s GLN 87 Ca -0.06 -1.90 -0.20 0.00 -1.82 0.00 0.00 55.36 51.38 1sqy s GLN 87 Cb 0.09 -1.46 -0.08 0.00 -1.09 0.00 0.00 33.01 30.47 1sqy s GLN 87 CO 0.87 -1.32 1.03 -2.14 -1.32 0.00 0.00 175.29 172.40 1sqy s PRO 88 N 0.34 3.79 -0.12 9.60 0.02 -0.58 -2.65 135.00 145.41 1sqy s PRO 88 Ca 0.28 1.32 -0.11 0.00 0.02 0.00 0.00 61.00 62.51 1sqy s PRO 88 Cb -0.06 -2.10 0.03 0.00 0.02 0.00 0.00 34.50 32.40 1sqy s PRO 88 CO -0.13 -0.43 0.31 -0.98 -0.33 0.00 0.00 177.00 175.44 1sqy s ARG 89 N -3.33 0.36 -0.68 5.54 1.70 -0.33 -4.95 118.95 117.26 1sqy s ARG 89 Ca 0.66 0.43 -0.00 0.00 -0.47 0.00 0.00 55.73 56.35 1sqy s ARG 89 Cb -0.16 0.17 0.41 0.00 -0.57 0.00 0.00 34.95 34.80 1sqy s ARG 89 CO 0.21 -0.04 1.85 0.25 -1.08 0.00 0.00 175.30 176.49 1sqy n THR 90 N 2.93 3.38 -3.73 4.99 -2.24 -1.26 -0.62 114.28 117.73 1sqy n THR 90 Ca -0.13 -3.83 -0.09 0.00 -2.27 0.00 0.00 64.05 57.72 1sqy n THR 90 Cb 0.58 -1.20 -0.03 0.00 -2.10 0.00 0.00 70.33 67.57 1sqy n THR 90 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1sqy s HIS 91 N -3.88 -0.17 0.36 4.78 0.00 -1.26 -2.36 115.29 112.75 1sqy s HIS 91 Ca 0.56 -0.18 -0.01 0.00 -3.00 0.00 0.00 55.06 52.44 1sqy s HIS 91 Cb 0.46 0.47 0.00 0.00 -4.00 0.00 0.00 32.58 29.51 1sqy s HIS 91 CO -0.19 -0.98 0.47 1.52 -1.00 0.00 0.00 174.74 174.56 1sqy s TYR 92 N -3.87 1.20 -0.06 0.38 1.13 0.26 -4.79 117.35 111.60 1sqy s TYR 92 Ca 0.09 -1.38 0.04 0.00 -1.41 0.00 0.00 57.07 54.41 1sqy s TYR 92 Cb -0.02 -0.16 -0.02 0.00 -1.10 0.00 0.00 41.96 40.66 1sqy s TYR 92 CO -0.02 -1.14 -0.18 0.71 -2.51 0.00 0.00 175.55 172.41 1sqy s TYR 93 N -2.96 2.62 -0.26 -3.49 2.02 -1.26 -1.18 117.35 112.83 1sqy s TYR 93 Ca 0.32 -0.36 -0.17 0.00 -0.37 0.00 0.00 57.07 56.49 1sqy s TYR 93 Cb -0.00 -1.63 -0.03 0.00 -0.40 0.00 0.00 41.96 39.89 1sqy s TYR 93 CO 0.22 0.03 0.47 0.00 -1.57 0.00 0.00 175.55 174.71 1sqy s ALA 94 N -0.47 3.58 0.40 3.71 0.00 -0.68 -2.13 121.76 126.17 1sqy s ALA 94 Ca 0.06 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.40 1sqy s ALA 94 Cb -0.12 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 1sqy s ALA 94 CO 0.01 -0.69 0.04 0.14 0.00 0.00 0.00 175.76 175.27 1sqy s VAL 95 N 2.18 1.34 -0.20 0.00 -7.23 -0.04 -0.55 120.40 115.89 1sqy s VAL 95 Ca 0.19 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 1sqy s VAL 95 Cb -0.16 -2.67 0.05 0.00 0.56 0.00 0.00 36.38 34.16 1sqy s VAL 95 CO 0.09 0.00 -0.08 0.00 -0.31 0.00 0.00 175.10 174.81 1sqy s ALA 96 N -3.03 1.87 -0.14 1.32 0.00 -1.26 -2.42 121.76 118.10 1sqy s ALA 96 Ca 0.28 -1.16 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 1sqy s ALA 96 Cb 0.07 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1sqy s ALA 96 CO 0.14 -0.93 0.05 0.08 0.00 0.00 0.00 175.76 175.10 1sqy s VAL 97 N 1.45 4.75 0.43 0.00 1.01 0.61 -1.55 120.40 127.09 1sqy s VAL 97 Ca -0.02 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.93 1sqy s VAL 97 Cb -0.17 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 1sqy s VAL 97 CO -0.07 0.54 0.13 0.68 0.00 0.00 0.00 175.10 176.38 1sqy s VAL 98 N -0.29 0.57 0.05 2.92 -7.23 -0.62 -0.78 120.40 115.01 1sqy s VAL 98 Ca 0.08 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.19 1sqy s VAL 98 Cb -0.12 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 1sqy s VAL 98 CO 0.02 0.00 0.30 -0.54 -0.31 0.00 0.00 175.10 174.56 1sqy s LYS 99 N -3.69 3.59 -0.01 4.82 1.02 -1.26 -2.33 119.74 121.88 1sqy s LYS 99 Ca 0.21 -0.08 -0.30 0.00 0.02 0.00 0.00 55.97 55.82 1sqy s LYS 99 Cb 0.02 -3.02 -0.06 0.00 -0.52 0.00 0.00 37.83 34.25 1sqy s LYS 99 CO 0.14 0.60 1.49 0.21 -0.92 0.00 0.00 175.35 176.87 1sqy s LYS 100 N -2.01 4.24 0.00 1.68 2.20 0.20 -3.85 119.74 122.20 1sqy s LYS 100 Ca 0.31 2.05 0.00 0.00 -0.36 0.00 0.00 55.97 57.97 1sqy s LYS 100 Cb -0.13 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 1sqy s LYS 100 CO 0.19 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 174.92 1sqy n GLY 101 N 3.80 2.39 3.41 5.54 0.00 -1.26 -4.96 105.19 114.11 1sqy n GLY 101 Ca 0.14 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 1sqy n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqy n GLY 102 N 0.00 -2.42 0.00 -0.02 0.00 -1.25 -4.97 105.19 96.52 1sqy n GLY 102 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1sqy n GLY 102 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sqy n SER 103 N -5.05 0.60 -4.77 1.61 7.64 -1.26 -5.07 113.62 107.32 1sqy n SER 103 Ca 0.03 -0.87 -0.33 0.00 1.01 0.00 0.00 58.87 58.71 1sqy n SER 103 Cb 0.55 0.16 0.04 0.00 -1.01 0.00 0.00 64.21 63.96 1sqy n SER 103 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1sqy s PHE 104 N -0.16 2.58 0.46 1.43 -0.12 -1.26 -5.06 117.98 115.84 1sqy s PHE 104 Ca 0.00 1.55 0.06 0.00 -0.05 0.00 0.00 56.93 58.49 1sqy s PHE 104 Cb 0.00 -3.21 -0.03 0.00 -0.63 0.00 0.00 43.02 39.15 1sqy s PHE 104 CO 0.00 -1.75 0.19 -0.65 -0.05 0.00 0.00 175.22 172.96 1sqy s GLN 105 N -3.97 2.22 0.54 1.99 -1.52 -1.26 -4.99 119.66 112.66 1sqy s GLN 105 Ca 0.68 -1.99 0.29 0.00 -1.95 0.00 0.00 55.36 52.39 1sqy s GLN 105 Cb -0.22 -1.92 1.45 0.00 -0.22 0.00 0.00 33.01 32.10 1sqy s GLN 105 CO 0.40 -0.27 1.93 1.25 -0.25 0.00 0.00 175.29 178.35 1sqy h LEU 106 N 1.27 0.00 -1.07 2.90 5.85 -1.88 0.19 115.31 122.56 1sqy h LEU 106 Ca -0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1sqy h LEU 106 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1sqy h LEU 106 CO 0.68 0.00 0.00 -0.46 -0.34 0.00 0.00 178.44 178.32 1sqy n ASN 107 N -4.28 1.62 -0.51 1.25 2.04 -1.26 -3.93 115.26 110.19 1sqy n ASN 107 Ca 0.14 -1.66 0.07 0.00 -0.44 0.00 0.00 54.58 52.69 1sqy n ASN 107 Cb 0.80 -0.08 0.19 0.00 -2.53 0.00 0.00 39.78 38.16 1sqy n ASN 107 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1sqy n GLU 108 N 0.29 1.77 0.00 -3.83 1.02 0.65 -4.70 120.64 115.84 1sqy n GLU 108 Ca 0.17 -2.88 0.12 0.00 -0.02 0.00 0.00 57.16 54.55 1sqy n GLU 108 Cb 0.33 -1.64 0.66 0.00 -0.02 0.00 0.00 31.44 30.76 1sqy n GLU 108 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1sqy n LEU 109 N -1.13 0.00 -4.72 -4.62 4.77 -1.23 -4.78 117.00 105.29 1sqy n LEU 109 Ca 0.20 0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 55.96 1sqy n LEU 109 Cb 0.76 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1sqy n LEU 109 CO 0.06 -0.04 1.39 -1.58 -1.33 0.00 0.00 177.39 175.89 1sqy s GLN 110 N -2.40 4.12 0.00 3.23 0.74 -1.26 -2.05 119.66 122.04 1sqy s GLN 110 Ca 0.28 2.61 0.00 0.00 0.05 0.00 0.00 55.36 58.30 1sqy s GLN 110 Cb 0.17 -3.15 0.00 0.00 1.10 0.00 0.00 33.01 31.13 1sqy s GLN 110 CO 0.35 -0.77 0.00 0.41 -0.55 0.00 0.00 175.29 174.73 1sqy n GLY 111 N 4.02 1.84 3.95 2.59 0.00 0.12 -5.00 105.19 112.70 1sqy n GLY 111 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1sqy n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqy s LEU 112 N 0.00 2.78 -0.16 0.99 1.02 -0.87 -3.80 118.68 118.64 1sqy s LEU 112 Ca 0.00 0.10 -0.05 0.00 0.02 0.00 0.00 54.13 54.20 1sqy s LEU 112 Cb 0.00 -2.19 -0.03 0.00 0.02 0.00 0.00 46.19 43.99 1sqy s LEU 112 CO 0.00 -2.56 -0.01 -0.54 0.02 0.00 0.00 176.35 173.26 1sqy s LYS 113 N -5.73 3.73 0.21 1.70 3.01 -1.26 -1.95 119.74 119.46 1sqy s LYS 113 Ca 0.73 -0.46 0.10 0.00 -1.01 0.00 0.00 55.97 55.33 1sqy s LYS 113 Cb -0.04 -3.00 -0.04 0.00 -1.01 0.00 0.00 37.83 33.74 1sqy s LYS 113 CO 0.51 0.28 -0.13 -1.54 0.51 0.00 0.00 175.35 174.98 1sqy s SER 114 N 0.29 4.02 -0.11 2.83 1.04 -0.80 0.17 113.70 121.15 1sqy s SER 114 Ca -0.01 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.70 1sqy s SER 114 Cb -0.13 -0.58 0.02 0.00 0.10 0.00 0.00 66.02 65.43 1sqy s SER 114 CO 0.02 0.08 -0.11 0.00 0.98 0.00 0.00 173.24 174.21 1sqy s HIS 116 N 1.34 2.32 0.18 0.00 3.76 -0.71 -1.69 115.29 120.49 1sqy s HIS 116 Ca -0.01 -0.36 -0.08 0.00 -0.15 0.00 0.00 55.06 54.46 1sqy s HIS 116 Cb -0.14 -1.20 0.07 0.00 1.11 0.00 0.00 32.58 32.42 1sqy s HIS 116 CO -0.05 0.42 1.59 1.79 -0.85 0.00 0.00 174.74 177.64 1sqy h THR 117 N 3.53 1.27 0.00 1.30 1.35 -1.75 -3.41 112.91 115.20 1sqy h THR 117 Ca -0.49 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.06 1sqy h THR 117 Cb 1.19 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1sqy h THR 117 CO 0.44 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.77 1sqy n GLY 118 N -0.22 1.89 3.76 5.82 0.00 -1.26 -1.42 105.19 113.75 1sqy n GLY 118 Ca 0.01 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1sqy n GLY 118 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sqy s LEU 119 N 0.00 4.38 0.00 0.99 2.96 -0.11 -2.81 118.68 124.09 1sqy s LEU 119 Ca 0.00 2.80 0.00 0.00 -0.22 0.00 0.00 54.13 56.71 1sqy s LEU 119 Cb 0.00 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 43.05 1sqy s LEU 119 CO 0.00 -0.72 0.00 0.54 -1.32 0.00 0.00 176.35 174.85 1sqy n ARG 120 N 1.49 -0.31 -2.53 1.98 1.74 -1.26 -5.00 116.66 112.76 1sqy n ARG 120 Ca 0.04 0.08 -0.30 0.00 -0.77 0.00 0.00 57.85 56.90 1sqy n ARG 120 Cb 0.40 -3.41 -0.02 0.00 -1.02 0.00 0.00 32.46 28.41 1sqy n ARG 120 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1sqy s ARG 121 N -0.50 3.71 0.01 5.56 0.52 -1.12 -4.20 118.95 122.93 1sqy s ARG 121 Ca 0.00 0.54 -0.04 0.00 -0.52 0.00 0.00 55.73 55.70 1sqy s ARG 121 Cb 0.00 -2.28 -0.02 0.00 0.52 0.00 0.00 34.95 33.16 1sqy s ARG 121 CO 0.00 -0.22 1.07 1.15 0.02 0.00 0.00 175.30 177.31 1sqy h THR 122 N 0.57 0.00 0.00 0.02 2.02 -1.93 -0.58 112.91 113.00 1sqy h THR 122 Ca -0.46 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 66.59 1sqy h THR 122 Cb 1.19 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1sqy h THR 122 CO 0.62 0.00 -0.61 0.00 0.37 0.00 0.00 175.52 175.91 1sqy h ALA 123 N -1.72 0.85 0.00 6.16 0.00 -1.91 -1.77 119.26 120.87 1sqy h ALA 123 Ca -0.01 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 1sqy h ALA 123 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1sqy h ALA 123 CO 0.00 0.76 -0.81 0.78 0.00 0.00 0.00 179.25 179.98 1sqy h GLY 124 N 2.25 0.00 0.00 0.00 0.00 -1.68 -3.38 103.07 100.27 1sqy h GLY 124 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1sqy h GLY 124 CO 0.08 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.49 1sqy n TRP 125 N -2.97 -0.90 -0.18 5.60 -0.00 -0.34 -4.31 117.44 114.34 1sqy n TRP 125 Ca -0.02 0.16 -0.02 0.00 -0.00 0.00 0.00 57.50 57.62 1sqy n TRP 125 Cb 0.69 0.39 0.04 0.00 -0.00 0.00 0.00 31.31 32.43 1sqy n TRP 125 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1sqy h ASN 126 N 0.00 -0.55 0.19 5.87 2.35 -1.20 -0.65 115.58 121.59 1sqy h ASN 126 Ca 0.00 0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1sqy h ASN 126 Cb 0.00 0.35 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1sqy h ASN 126 CO 0.00 -0.19 -0.09 0.58 -1.65 0.00 0.00 177.43 176.08 1sqy h VAL 127 N -0.01 0.79 -0.92 2.81 2.07 -1.57 -2.05 116.25 117.36 1sqy h VAL 127 Ca 0.26 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1sqy h VAL 127 Cb 0.41 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1sqy h VAL 127 CO -0.57 0.20 0.52 1.55 0.02 0.00 0.00 177.57 179.28 1sqy h PRO 128 N -0.86 1.27 -0.14 1.57 0.13 -1.77 -1.14 132.00 131.05 1sqy h PRO 128 Ca -0.03 -0.14 -0.13 0.00 -0.87 0.00 0.00 66.00 64.83 1sqy h PRO 128 Cb 0.52 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 1sqy h PRO 128 CO 0.04 0.91 -0.49 0.82 -0.23 0.00 0.00 178.00 179.06 1sqy h ILE 129 N 1.28 1.33 -0.30 -3.56 1.08 -1.22 -1.63 117.51 114.49 1sqy h ILE 129 Ca 0.32 -1.71 -0.10 0.00 -0.39 0.00 0.00 64.86 62.98 1sqy h ILE 129 Cb 0.00 1.76 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 1sqy h ILE 129 CO -0.06 0.52 -0.22 1.23 -0.69 0.00 0.00 178.15 178.93 1sqy h GLY 130 N 1.23 0.62 1.84 5.37 0.00 -1.01 -2.12 103.07 109.00 1sqy h GLY 130 Ca 0.01 -0.50 -0.18 0.00 0.00 0.00 0.00 47.33 46.66 1sqy h GLY 130 CO 0.08 0.46 -0.80 -0.84 0.00 0.00 0.00 176.54 175.44 1sqy h THR 131 N 0.51 1.49 0.00 4.70 2.02 -0.93 -3.22 112.91 117.49 1sqy h THR 131 Ca 0.08 -2.51 0.00 0.00 0.77 0.00 0.00 66.41 64.75 1sqy h THR 131 Cb 0.66 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 1sqy h THR 131 CO 0.05 0.73 -0.50 0.18 0.37 0.00 0.00 175.52 176.35 1sqy n LEU 132 N -3.69 0.49 -0.33 2.58 4.77 -0.64 -4.55 117.00 115.63 1sqy n LEU 132 Ca -0.03 0.05 0.19 0.00 -0.03 0.00 0.00 56.01 56.19 1sqy n LEU 132 Cb 0.75 -0.25 0.37 0.00 -2.33 0.00 0.00 43.42 41.96 1sqy n LEU 132 CO 0.46 0.10 0.88 -0.09 -1.33 0.00 0.00 177.39 177.41 1sqy h ARG 133 N 0.00 0.02 0.00 3.23 2.43 -1.39 0.18 114.38 118.85 1sqy h ARG 133 Ca 0.00 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1sqy h ARG 133 Cb 0.53 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1sqy h ARG 133 CO 0.00 0.01 -0.00 -1.00 -1.51 0.00 0.00 179.97 177.47 1sqy h PRO 134 N 0.02 0.00 0.00 0.20 0.13 -1.85 -1.89 132.00 128.62 1sqy h PRO 134 Ca 0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.79 1sqy h PRO 134 Cb 1.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.61 1sqy h PRO 134 CO -0.87 0.00 -0.64 1.19 -0.23 0.00 0.00 178.00 177.46 1sqy n PHE 135 N -3.09 0.02 0.51 1.56 3.72 0.62 -4.40 117.46 116.40 1sqy n PHE 135 Ca -0.03 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.50 1sqy n PHE 135 Cb 0.08 -0.20 0.31 0.00 -0.94 0.00 0.00 39.48 38.73 1sqy n PHE 135 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1sqy h LEU 136 N 0.00 0.00 0.78 4.37 3.38 -1.33 -3.47 115.31 119.04 1sqy h LEU 136 Ca 0.00 -0.03 -0.37 0.00 0.09 0.00 0.00 57.88 57.57 1sqy h LEU 136 Cb 0.51 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1sqy h LEU 136 CO 0.00 0.01 -0.55 0.59 0.09 0.00 0.00 178.44 178.58 1sqy n ASN 137 N -2.44 -4.29 -4.72 -0.43 3.02 -1.26 -4.90 115.26 100.24 1sqy n ASN 137 Ca 0.05 -0.32 -0.42 0.00 -0.03 0.00 0.00 54.58 53.86 1sqy n ASN 137 Cb 0.46 -3.53 -0.03 0.00 -0.61 0.00 0.00 39.78 36.06 1sqy n ASN 137 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1sqy s TRP 138 N -2.97 3.62 -0.88 3.10 -0.00 -1.26 -4.95 118.94 115.60 1sqy s TRP 138 Ca 0.35 1.60 0.26 0.00 -0.00 0.00 0.00 56.10 58.30 1sqy s TRP 138 Cb -0.18 -3.21 0.67 0.00 -0.00 0.00 0.00 33.47 30.75 1sqy s TRP 138 CO 0.43 -0.40 1.55 0.25 -0.00 0.00 0.00 176.95 178.78 1sqy n THR 139 N 3.49 0.16 0.00 5.86 -2.24 -1.26 -4.89 114.28 115.40 1sqy n THR 139 Ca 0.06 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1sqy n THR 139 Cb 0.49 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1sqy n THR 139 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sqy n GLY 140 N 1.44 1.30 0.30 3.38 0.00 -1.26 -4.85 105.19 105.50 1sqy n GLY 140 Ca 0.05 -2.25 0.08 0.00 0.00 0.00 0.00 46.02 43.89 1sqy n GLY 140 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sqy n PRO 141 N -0.82 -0.07 -0.17 1.61 -0.02 -1.26 -2.01 135.00 132.25 1sqy n PRO 141 Ca 0.00 1.31 -0.11 0.00 -2.02 0.00 0.00 63.50 62.68 1sqy n PRO 141 Cb 0.00 -1.99 -0.07 0.00 -0.02 0.00 0.00 33.50 31.42 1sqy n PRO 141 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1sqy h PRO 142 N 0.00 -0.30 -6.30 0.52 0.11 -1.98 -3.35 132.00 120.70 1sqy h PRO 142 Ca 0.44 0.02 -0.57 0.00 0.11 0.00 0.00 66.00 66.01 1sqy h PRO 142 Cb 0.76 0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.91 1sqy h PRO 142 CO -0.85 -0.20 1.03 -2.00 -0.21 0.00 0.00 178.00 175.76 1sqy s GLU 143 N -5.75 3.92 0.57 1.05 2.12 -0.85 -4.97 118.70 114.78 1sqy s GLU 143 Ca -0.14 1.49 -0.21 0.00 0.36 0.00 0.00 54.97 56.47 1sqy s GLU 143 Cb 0.11 -3.93 -0.05 0.00 0.26 0.00 0.00 34.13 30.53 1sqy s GLU 143 CO 0.64 -1.12 1.24 -2.30 -0.54 0.00 0.00 175.26 173.17 1sqy n PRO 144 N 7.35 1.39 0.24 4.30 -0.02 -1.26 -4.62 135.00 142.39 1sqy n PRO 144 Ca 0.16 0.52 0.08 0.00 -2.02 0.00 0.00 63.50 62.24 1sqy n PRO 144 Cb 0.46 -2.44 0.59 0.00 -0.02 0.00 0.00 33.50 32.08 1sqy n PRO 144 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1sqy h ILE 145 N 1.07 0.97 -0.33 4.25 2.10 -1.91 -2.75 117.51 120.90 1sqy h ILE 145 Ca -0.50 -0.49 0.05 0.00 1.08 0.00 0.00 64.86 65.00 1sqy h ILE 145 Cb 1.33 1.27 -0.05 0.00 -1.09 0.00 0.00 36.82 38.28 1sqy h ILE 145 CO 0.55 0.13 0.04 -0.33 -1.08 0.00 0.00 178.15 177.47 1sqy h GLU 146 N 0.00 0.14 -0.74 2.19 3.07 -1.97 -1.92 114.58 115.35 1sqy h GLU 146 Ca -0.00 -0.01 0.17 0.00 -0.50 0.00 0.00 59.36 59.02 1sqy h GLU 146 Cb 0.26 -0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 28.03 1sqy h GLU 146 CO 0.02 0.10 0.16 0.00 -1.40 0.00 0.00 179.01 177.89 1sqy h ALA 147 N 1.26 0.95 0.00 3.43 0.00 -1.86 0.29 119.26 123.33 1sqy h ALA 147 Ca 0.16 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 1sqy h ALA 147 Cb 0.19 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1sqy h ALA 147 CO -0.23 -0.36 -0.38 0.00 0.00 0.00 0.00 179.25 178.28 1sqy h ALA 148 N 1.63 1.16 -0.02 0.00 0.00 -1.47 -2.50 119.26 118.07 1sqy h ALA 148 Ca 0.42 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 1sqy h ALA 148 Cb 0.73 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1sqy h ALA 148 CO -0.53 0.48 -0.79 0.28 0.00 0.00 0.00 179.25 178.68 1sqy h VAL 149 N 0.00 1.46 0.00 0.00 2.07 0.07 -2.81 116.25 117.05 1sqy h VAL 149 Ca -0.00 -2.43 -0.02 0.00 0.82 0.00 0.00 66.70 65.06 1sqy h VAL 149 Cb 0.78 2.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1sqy h VAL 149 CO 0.05 0.71 -0.11 0.00 0.02 0.00 0.00 177.57 178.24 1sqy h ALA 150 N 1.05 1.59 0.00 1.67 0.00 -0.29 -2.11 119.26 121.16 1sqy h ALA 150 Ca -0.03 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1sqy h ALA 150 Cb 1.38 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1sqy h ALA 150 CO 0.12 0.14 -1.16 0.00 0.00 0.00 0.00 179.25 178.35 1sqy h ARG 151 N 0.00 0.00 0.08 0.00 3.08 -1.44 -3.39 114.38 112.72 1sqy h ARG 151 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1sqy h ARG 151 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1sqy h ARG 151 CO 0.01 0.15 -0.04 0.35 -1.07 0.00 0.00 179.97 179.37 1sqy h PHE 152 N 0.00 -0.10 -3.28 3.04 3.57 -1.14 -3.44 116.94 115.59 1sqy h PHE 152 Ca -0.08 -0.00 -0.58 0.00 3.53 0.00 0.00 57.97 60.84 1sqy h PHE 152 Cb 1.29 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.99 1sqy h PHE 152 CO 0.00 0.42 -0.11 -0.06 -2.23 0.00 0.00 178.31 176.34 1sqy s PHE 153 N -2.89 3.58 0.38 0.41 0.08 -0.93 -0.70 117.98 117.92 1sqy s PHE 153 Ca -0.13 0.99 0.05 0.00 0.12 0.00 0.00 56.93 57.96 1sqy s PHE 153 Cb -0.00 -2.54 0.76 0.00 -0.57 0.00 0.00 43.02 40.66 1sqy s PHE 153 CO 0.48 0.27 2.03 0.66 -0.10 0.00 0.00 175.22 178.55 1sqy h SER 154 N 6.22 0.57 -4.52 1.36 4.64 -1.49 -3.45 113.55 116.89 1sqy h SER 154 Ca -0.43 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 60.81 1sqy h SER 154 Cb 1.19 -0.14 -0.20 0.00 -0.31 0.00 0.00 62.40 62.94 1sqy h SER 154 CO 0.72 0.43 0.12 0.00 -0.87 0.00 0.00 176.83 177.23 1sqy s ALA 155 N -5.55 -1.69 0.32 5.18 0.00 -1.26 -4.97 121.76 113.80 1sqy s ALA 155 Ca -0.09 1.57 -0.06 0.00 0.00 0.00 0.00 51.96 53.38 1sqy s ALA 155 Cb 0.17 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1sqy s ALA 155 CO 0.75 -0.34 0.50 -1.12 0.00 0.00 0.00 175.76 175.54 1sqy s SER 156 N -0.46 0.55 -0.27 0.00 0.01 -0.67 -1.91 113.70 110.96 1sqy s SER 156 Ca -0.06 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 55.89 1sqy s SER 156 Cb -0.02 0.66 0.08 0.00 0.21 0.00 0.00 66.02 66.94 1sqy s SER 156 CO 0.05 -1.29 0.03 0.00 0.41 0.00 0.00 173.24 172.45 1sqy s VAL 158 N 1.46 2.43 -0.05 0.00 1.01 0.22 -1.74 120.40 123.74 1sqy s VAL 158 Ca 0.03 -3.81 -0.39 0.00 0.00 0.00 0.00 61.98 57.81 1sqy s VAL 158 Cb -0.18 -2.62 -0.18 0.00 0.00 0.00 0.00 36.38 33.40 1sqy s VAL 158 CO -0.14 -0.99 1.34 -2.65 0.00 0.00 0.00 175.10 172.66 1sqy n PRO 159 N 2.37 0.69 0.00 2.72 -0.02 -1.26 -1.38 135.00 138.12 1sqy n PRO 159 Ca 0.18 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1sqy n PRO 159 Cb 0.36 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1sqy n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sqy n GLY 160 N 2.59 0.69 3.74 -1.23 0.00 -0.58 -0.93 105.19 109.47 1sqy n GLY 160 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1sqy n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqy s ALA 161 N -2.22 2.19 -0.70 4.61 0.00 -0.48 -4.91 121.76 120.25 1sqy s ALA 161 Ca 0.00 0.60 -0.26 0.00 0.00 0.00 0.00 51.96 52.30 1sqy s ALA 161 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1sqy s ALA 161 CO 0.00 -1.75 1.60 0.34 0.00 0.00 0.00 175.76 175.95 1sqy s ASP 162 N -2.58 5.69 0.37 0.00 2.15 -1.26 -4.84 116.67 116.20 1sqy s ASP 162 Ca 0.68 -0.12 0.27 0.00 0.43 0.00 0.00 52.55 53.81 1sqy s ASP 162 Cb -0.23 -2.55 1.21 0.00 -0.30 0.00 0.00 42.92 41.06 1sqy s ASP 162 CO 0.47 -2.13 1.82 0.07 -0.17 0.00 0.00 175.17 175.23 1sqy h LYS 163 N 12.47 0.00 0.10 4.34 2.10 -1.91 0.58 116.57 134.25 1sqy h LYS 163 Ca -0.23 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.14 1sqy h LYS 163 Cb 1.10 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.45 1sqy h LYS 163 CO 1.25 0.00 -1.20 0.78 -2.00 0.00 0.00 179.45 178.29 1sqy h GLY 164 N 1.68 0.57 1.00 0.07 0.00 -1.98 -3.20 103.07 101.21 1sqy h GLY 164 Ca 0.00 -1.21 -0.30 0.00 0.00 0.00 0.00 47.33 45.82 1sqy h GLY 164 CO 0.00 1.06 -1.70 1.46 0.00 0.00 0.00 176.54 177.36 1sqy h GLN 165 N 0.22 0.09 -2.14 4.80 4.20 -1.78 -3.42 115.11 117.09 1sqy h GLN 165 Ca -0.16 -0.15 -0.56 0.00 0.06 0.00 0.00 58.65 57.84 1sqy h GLN 165 Cb 1.87 0.06 -0.41 0.00 0.30 0.00 0.00 27.48 29.30 1sqy h GLN 165 CO 0.22 0.76 -0.86 1.19 -0.67 0.00 0.00 178.83 179.46 1sqy n PHE 166 N -3.21 2.16 -0.12 2.96 3.72 0.19 -4.95 117.46 118.22 1sqy n PHE 166 Ca -0.19 -3.91 0.15 0.00 -0.05 0.00 0.00 57.45 53.45 1sqy n PHE 166 Cb 1.04 -0.46 0.53 0.00 -0.94 0.00 0.00 39.48 39.65 1sqy n PHE 166 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1sqy h PRO 167 N 3.40 0.34 -0.27 -1.08 0.11 -1.74 0.73 132.00 133.49 1sqy h PRO 167 Ca 0.13 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1sqy h PRO 167 Cb 0.73 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 1sqy h PRO 167 CO 0.67 0.23 0.10 -0.91 -0.21 0.00 0.00 178.00 177.88 1sqy h ASN 168 N 0.35 0.33 0.34 -2.05 4.21 -1.90 -2.58 115.58 114.28 1sqy h ASN 168 Ca 0.33 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.81 1sqy h ASN 168 Cb 0.80 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.91 1sqy h ASN 168 CO -0.09 0.31 0.00 0.18 -1.29 0.00 0.00 177.43 176.54 1sqy n LEU 169 N -4.42 0.00 0.00 1.61 4.77 0.25 -1.66 117.00 117.54 1sqy n LEU 169 Ca 0.01 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1sqy n LEU 169 Cb 0.13 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1sqy n LEU 169 CO 0.36 -0.04 0.10 0.00 -1.33 0.00 0.00 177.39 176.48 1sqy h ARG 171 N 0.00 -0.38 0.00 0.00 9.65 -1.13 -1.92 114.38 120.60 1sqy h ARG 171 Ca 0.00 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1sqy h ARG 171 Cb 0.00 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 1sqy h ARG 171 CO 0.00 -0.25 0.00 1.28 2.80 0.00 0.00 179.97 183.80 1sqy n LEU 172 N -4.84 0.14 -4.76 3.80 4.77 -0.55 -4.84 117.00 110.71 1sqy n LEU 172 Ca -0.04 0.53 -0.39 0.00 -0.03 0.00 0.00 56.01 56.07 1sqy n LEU 172 Cb 0.29 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1sqy n LEU 172 CO 0.04 -0.23 1.05 0.00 -1.33 0.00 0.00 177.39 176.91 1sqy n ALA 174 N -0.50 2.43 -0.73 0.00 0.00 -1.26 -4.84 120.51 115.61 1sqy n ALA 174 Ca 0.07 -0.92 -0.32 0.00 0.00 0.00 0.00 53.44 52.27 1sqy n ALA 174 Cb 0.43 -0.88 0.15 0.00 0.00 0.00 0.00 19.45 19.16 1sqy n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqy n GLY 175 N 1.47 -0.81 3.63 0.00 0.00 -1.26 -4.77 105.19 103.45 1sqy n GLY 175 Ca 0.18 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 1sqy n GLY 175 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sqy s THR 176 N -2.54 5.25 0.00 2.61 2.01 -1.26 -4.16 115.64 117.55 1sqy s THR 176 Ca 0.65 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.79 1sqy s THR 176 Cb -0.23 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1sqy s THR 176 CO 0.60 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 175.47 1sqy n GLY 177 N 4.47 0.42 0.01 4.40 0.00 -1.26 -0.91 105.19 112.32 1sqy n GLY 177 Ca -0.15 0.65 0.12 0.00 0.00 0.00 0.00 46.02 46.64 1sqy n GLY 177 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sqy n GLU 178 N 0.00 0.03 -0.03 1.61 -0.58 -1.26 -3.68 120.64 116.73 1sqy n GLU 178 Ca 0.00 0.01 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 1sqy n GLU 178 Cb 0.00 -1.52 0.47 0.00 -0.57 0.00 0.00 31.44 29.82 1sqy n GLU 178 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1sqy n ASN 179 N -1.56 1.55 -4.64 1.62 3.02 -0.09 -4.74 115.26 110.43 1sqy n ASN 179 Ca 0.05 -1.58 -0.43 0.00 -0.03 0.00 0.00 54.58 52.60 1sqy n ASN 179 Cb 0.35 -0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.45 1sqy n ASN 179 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1sqy s LYS 180 N -1.91 3.89 -0.62 3.52 2.47 -1.24 -2.58 119.74 123.26 1sqy s LYS 180 Ca 0.36 1.70 0.00 0.00 -1.56 0.00 0.00 55.97 56.46 1sqy s LYS 180 Cb 0.20 -4.00 0.00 0.00 -1.46 0.00 0.00 37.83 32.57 1sqy s LYS 180 CO 0.31 -1.18 0.00 0.00 0.16 0.00 0.00 175.35 174.64 1sqy s ALA 182 N -2.30 3.39 -1.56 0.00 0.00 -1.07 -1.53 121.76 118.71 1sqy s ALA 182 Ca 0.00 0.27 -0.10 0.00 0.00 0.00 0.00 51.96 52.13 1sqy s ALA 182 Cb 0.00 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1sqy s ALA 182 CO 0.00 0.30 2.73 0.34 0.00 0.00 0.00 175.76 179.12 1sqy n PHE 183 N 0.95 2.68 -3.82 0.00 -0.00 -1.26 -4.43 117.46 111.59 1sqy n PHE 183 Ca -0.03 -3.04 -0.06 0.00 -0.00 0.00 0.00 57.45 54.33 1sqy n PHE 183 Cb 0.50 -2.43 -0.01 0.00 -0.00 0.00 0.00 39.48 37.54 1sqy n PHE 183 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1sqy s SER 184 N 2.17 -0.16 0.00 -2.13 1.04 -1.26 -4.99 113.70 108.37 1sqy s SER 184 Ca 0.63 -0.65 0.16 0.00 0.48 0.00 0.00 55.95 56.57 1sqy s SER 184 Cb 0.17 0.65 0.81 0.00 0.10 0.00 0.00 66.02 67.76 1sqy s SER 184 CO -0.07 -1.24 1.49 -1.54 0.98 0.00 0.00 173.24 172.86 1sqy n SER 185 N -0.71 0.00 0.08 7.02 3.41 -1.26 -1.80 113.62 120.36 1sqy n SER 185 Ca -0.05 0.12 0.02 0.00 -0.26 0.00 0.00 58.87 58.70 1sqy n SER 185 Cb 0.60 -0.32 0.39 0.00 -0.26 0.00 0.00 64.21 64.62 1sqy n SER 185 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1sqy h GLN 186 N 0.00 0.33 -6.01 4.33 1.08 -1.91 -3.36 115.11 109.57 1sqy h GLN 186 Ca 0.00 -0.06 -0.61 0.00 -1.45 0.00 0.00 58.65 56.53 1sqy h GLN 186 Cb 0.17 -0.05 -0.11 0.00 -0.05 0.00 0.00 27.48 27.44 1sqy h GLN 186 CO 0.00 0.39 0.50 -2.00 -0.95 0.00 0.00 178.83 176.77 1sqy s GLU 187 N -4.92 3.54 0.64 1.46 2.56 -0.75 -4.71 118.70 116.52 1sqy s GLU 187 Ca -0.06 0.13 0.41 0.00 0.00 0.00 0.00 54.97 55.45 1sqy s GLU 187 Cb 0.16 -3.91 2.22 0.00 2.00 0.00 0.00 34.13 34.60 1sqy s GLU 187 CO 0.74 -1.14 2.31 -1.00 -0.56 0.00 0.00 175.26 175.61 1sqy h PRO 188 N 8.96 0.00 -0.76 4.30 0.13 -1.85 -2.51 132.00 140.28 1sqy h PRO 188 Ca -0.24 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.79 1sqy h PRO 188 Cb 1.08 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.15 1sqy h PRO 188 CO 0.99 0.01 0.13 0.66 -0.23 0.00 0.00 178.00 179.56 1sqy n TYR 189 N -3.20 1.82 -3.45 1.56 4.01 -1.26 -4.32 117.16 112.33 1sqy n TYR 189 Ca -0.03 -0.81 -0.34 0.00 -0.16 0.00 0.00 57.90 56.56 1sqy n TYR 189 Cb 0.10 -0.52 -0.05 0.00 -0.31 0.00 0.00 39.34 38.56 1sqy n TYR 189 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1sqy s PHE 190 N -2.42 3.54 0.19 -0.72 5.36 -0.95 -2.89 117.98 120.09 1sqy s PHE 190 Ca 0.43 0.91 0.00 0.00 -0.96 0.00 0.00 56.93 57.31 1sqy s PHE 190 Cb 0.34 -2.26 0.00 0.00 -0.34 0.00 0.00 43.02 40.75 1sqy s PHE 190 CO 0.11 0.40 0.00 0.45 -1.46 0.00 0.00 175.22 174.73 1sqy n SER 191 N 0.50 -5.56 -0.08 6.13 2.88 -0.51 -2.07 113.62 114.90 1sqy n SER 191 Ca -0.04 0.88 -0.10 0.00 -1.33 0.00 0.00 58.87 58.28 1sqy n SER 191 Cb 0.52 -2.47 -0.04 0.00 -0.75 0.00 0.00 64.21 61.47 1sqy n SER 191 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1sqy h TYR 192 N -0.76 -1.08 -0.35 0.66 0.05 -1.94 0.12 116.97 113.67 1sqy h TYR 192 Ca 0.02 0.06 -0.12 0.00 0.05 0.00 0.00 58.73 58.73 1sqy h TYR 192 Cb 0.75 0.52 -0.01 0.00 1.01 0.00 0.00 36.73 38.99 1sqy h TYR 192 CO 0.00 -0.42 -0.28 0.77 -1.05 0.00 0.00 178.16 177.17 1sqy h SER 193 N -0.34 0.76 -0.29 3.88 0.02 -1.97 -2.23 113.55 113.37 1sqy h SER 193 Ca 0.13 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1sqy h SER 193 Cb 0.57 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1sqy h SER 193 CO -0.50 1.00 0.18 1.23 -1.14 0.00 0.00 176.83 177.59 1sqy h GLY 194 N 0.97 0.42 1.70 -3.77 0.00 -0.75 0.16 103.07 101.80 1sqy h GLY 194 Ca 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 1sqy h GLY 194 CO 0.07 0.17 -0.10 0.00 0.00 0.00 0.00 176.54 176.68 1sqy h ALA 195 N 1.07 1.41 -0.18 3.60 0.00 -0.66 -1.75 119.26 122.75 1sqy h ALA 195 Ca 0.11 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1sqy h ALA 195 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1sqy h ALA 195 CO -0.02 0.41 -0.56 0.35 0.00 0.00 0.00 179.25 179.43 1sqy h PHE 196 N 0.35 0.71 -0.57 0.00 3.57 -0.90 -3.00 116.94 117.09 1sqy h PHE 196 Ca 0.07 -0.25 -0.08 0.00 3.53 0.00 0.00 57.97 61.24 1sqy h PHE 196 Cb 0.39 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1sqy h PHE 196 CO 0.01 0.99 0.05 -0.22 -2.23 0.00 0.00 178.31 176.91 1sqy h LYS 197 N 0.43 0.98 -0.59 1.11 3.64 -0.48 -1.30 116.57 120.36 1sqy h LYS 197 Ca 0.01 -0.28 0.16 0.00 -1.27 0.00 0.00 60.65 59.27 1sqy h LYS 197 Cb 1.11 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 1sqy h LYS 197 CO 0.11 0.95 0.42 0.00 -2.27 0.00 0.00 179.45 178.65 1sqy h LEU 199 N 0.05 0.15 -0.90 0.00 5.85 -1.18 -2.07 115.31 117.20 1sqy h LEU 199 Ca 0.28 -0.97 0.05 0.00 0.84 0.00 0.00 57.88 58.08 1sqy h LEU 199 Cb 1.06 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 1sqy h LEU 199 CO -0.02 1.15 0.58 0.03 -0.34 0.00 0.00 178.44 179.84 1sqy h ARG 200 N -0.79 1.05 0.00 1.25 3.08 -0.19 0.40 114.38 119.18 1sqy h ARG 200 Ca -0.06 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1sqy h ARG 200 Cb 1.22 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1sqy h ARG 200 CO 0.04 0.70 0.00 -0.25 -1.07 0.00 0.00 179.97 179.39 1sqy n ASP 201 N -4.55 0.02 0.00 7.04 8.00 0.12 -4.84 116.55 122.34 1sqy n ASP 201 Ca 0.12 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.13 1sqy n ASP 201 Cb 0.13 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 1sqy n ASP 201 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sqy n GLY 202 N -0.37 0.68 0.31 0.44 0.00 0.13 -4.93 105.19 101.45 1sqy n GLY 202 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1sqy n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqy h ALA 203 N 0.00 1.35 -2.20 4.61 0.00 -1.58 -3.44 119.26 118.00 1sqy h ALA 203 Ca 0.00 -0.15 -0.48 0.00 0.00 0.00 0.00 54.91 54.28 1sqy h ALA 203 Cb 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 17.79 17.43 1sqy h ALA 203 CO 0.00 0.49 -0.73 0.20 0.00 0.00 0.00 179.25 179.21 1sqy s GLY 204 N -3.61 1.55 0.14 0.00 0.00 -1.01 -4.89 107.32 99.50 1sqy s GLY 204 Ca -0.10 -1.73 0.22 0.00 0.00 0.00 0.00 44.72 43.12 1sqy s GLY 204 CO 0.78 -1.80 0.91 1.22 0.00 0.00 0.00 173.10 174.21 1sqy n ASP 205 N -0.44 0.69 -3.92 1.64 8.00 0.45 -4.64 116.55 118.33 1sqy n ASP 205 Ca -0.07 0.27 -0.11 0.00 0.71 0.00 0.00 54.79 55.59 1sqy n ASP 205 Cb 0.61 0.71 -0.12 0.00 -0.02 0.00 0.00 41.12 42.30 1sqy n ASP 205 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1sqy s VAL 206 N -3.34 0.06 -0.07 2.53 0.11 -0.97 -4.41 120.40 114.31 1sqy s VAL 206 Ca -0.02 -0.53 0.04 0.00 -2.93 0.00 0.00 61.98 58.54 1sqy s VAL 206 Cb 0.10 -0.21 -0.00 0.00 -1.53 0.00 0.00 36.38 34.74 1sqy s VAL 206 CO 0.81 -0.29 -0.19 0.00 -3.33 0.00 0.00 175.10 172.10 1sqy s ALA 207 N -0.88 1.77 -0.52 1.54 0.00 0.04 -1.19 121.76 122.51 1sqy s ALA 207 Ca -0.10 -0.78 -0.11 0.00 0.00 0.00 0.00 51.96 50.97 1sqy s ALA 207 Cb -0.06 -0.63 0.13 0.00 0.00 0.00 0.00 23.12 22.56 1sqy s ALA 207 CO -0.00 0.27 0.42 -0.06 0.00 0.00 0.00 175.76 176.39 1sqy s PHE 208 N 0.21 3.39 0.00 0.00 0.08 -0.68 -0.29 117.98 120.70 1sqy s PHE 208 Ca -0.10 -1.74 0.00 0.00 0.12 0.00 0.00 56.93 55.21 1sqy s PHE 208 Cb -0.15 -3.60 0.00 0.00 -0.57 0.00 0.00 43.02 38.71 1sqy s PHE 208 CO 0.05 -1.00 0.00 0.44 -0.10 0.00 0.00 175.22 174.61 1sqy n ILE 209 N 4.91 0.00 -3.75 0.64 -5.35 -1.02 -3.91 119.36 110.89 1sqy n ILE 209 Ca -0.08 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.19 1sqy n ILE 209 Cb 0.41 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.27 1sqy n ILE 209 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1sqy s ARG 210 N 1.19 2.63 0.54 6.28 1.70 -1.26 -0.86 118.95 129.17 1sqy s ARG 210 Ca 0.00 -1.40 0.26 0.00 -0.47 0.00 0.00 55.73 54.12 1sqy s ARG 210 Cb 0.00 -2.42 1.54 0.00 -0.57 0.00 0.00 34.95 33.50 1sqy s ARG 210 CO 0.00 -0.00 2.15 1.05 -1.08 0.00 0.00 175.30 177.41 1sqy h GLU 211 N 1.20 0.00 0.00 3.89 9.09 -1.80 -3.14 114.58 123.81 1sqy h GLU 211 Ca -0.43 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 58.95 1sqy h GLU 211 Cb 1.26 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.35 1sqy h GLU 211 CO 0.58 0.07 -0.94 0.66 0.05 0.00 0.00 179.01 179.44 1sqy h SER 212 N 0.00 0.00 -0.46 3.06 4.64 -1.96 -3.40 113.55 115.43 1sqy h SER 212 Ca -0.00 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 1sqy h SER 212 Cb 0.16 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.16 1sqy h SER 212 CO 0.01 0.08 -0.31 0.74 -0.87 0.00 0.00 176.83 176.48 1sqy h THR 213 N 0.00 0.24 -0.17 2.95 2.02 -1.95 0.04 112.91 116.04 1sqy h THR 213 Ca -0.02 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.21 1sqy h THR 213 Cb 1.08 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1sqy h THR 213 CO 0.01 0.00 0.12 1.62 0.37 0.00 0.00 175.52 177.64 1sqy h VAL 214 N -0.20 0.90 0.00 3.16 3.04 -1.81 -1.43 116.25 119.91 1sqy h VAL 214 Ca 0.20 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.70 1sqy h VAL 214 Cb 0.53 0.91 -0.03 0.00 -2.01 0.00 0.00 31.29 30.69 1sqy h VAL 214 CO -0.58 0.00 -0.98 -0.26 -1.01 0.00 0.00 177.57 174.74 1sqy h PHE 215 N 0.00 0.00 0.11 3.17 -1.00 -1.33 -2.82 116.94 115.06 1sqy h PHE 215 Ca 0.08 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.59 1sqy h PHE 215 Cb 0.33 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.89 1sqy h PHE 215 CO 0.00 0.81 -1.19 0.93 -1.61 0.00 0.00 178.31 177.25 1sqy h GLU 216 N 0.00 0.28 0.00 1.51 5.08 -0.08 -3.36 114.58 118.01 1sqy h GLU 216 Ca -0.06 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1sqy h GLU 216 Cb 1.67 0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.08 1sqy h GLU 216 CO 0.10 1.20 -1.14 -0.25 -1.00 0.00 0.00 179.01 177.92 1sqy n ASP 217 N -3.56 0.59 -4.07 1.42 8.00 -0.64 -4.81 116.55 113.48 1sqy n ASP 217 Ca -0.08 -0.23 -0.32 0.00 0.71 0.00 0.00 54.79 54.87 1sqy n ASP 217 Cb 0.99 0.94 -0.15 0.00 -0.02 0.00 0.00 41.12 42.89 1sqy n ASP 217 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1sqy s LEU 218 N -3.98 4.01 -0.08 0.64 1.43 -1.06 -4.99 118.68 114.65 1sqy s LEU 218 Ca 0.03 -1.65 -0.25 0.00 -1.03 0.00 0.00 54.13 51.22 1sqy s LEU 218 Cb 0.14 -1.61 -0.21 0.00 0.03 0.00 0.00 46.19 44.54 1sqy s LEU 218 CO 0.82 -0.28 0.95 0.77 0.23 0.00 0.00 176.35 178.84 1sqy h SER 219 N 7.76 -0.03 -2.05 2.29 4.64 -1.87 -3.44 113.55 120.84 1sqy h SER 219 Ca -0.14 -0.66 -0.57 0.00 -0.47 0.00 0.00 61.79 59.95 1sqy h SER 219 Cb 1.04 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1sqy h SER 219 CO 0.50 0.68 1.47 -0.62 -0.87 0.00 0.00 176.83 177.99 1sqy s ASP 220 N -5.87 5.36 0.56 4.97 -1.08 -1.26 -4.81 116.67 114.55 1sqy s ASP 220 Ca -0.16 1.61 0.35 0.00 -0.52 0.00 0.00 52.55 53.83 1sqy s ASP 220 Cb -0.01 -2.51 1.48 0.00 -1.46 0.00 0.00 42.92 40.42 1sqy s ASP 220 CO 0.62 -2.08 1.75 -0.33 0.52 0.00 0.00 175.17 175.66 1sqy h GLU 221 N 15.39 0.00 -0.64 4.34 5.08 -2.01 0.26 114.58 137.00 1sqy h GLU 221 Ca -0.37 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.90 1sqy h GLU 221 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 1sqy h GLU 221 CO 1.01 0.00 0.04 0.00 -1.00 0.00 0.00 179.01 179.06 1sqy h ALA 222 N 1.29 0.86 0.00 3.43 0.00 -1.97 -2.83 119.26 120.04 1sqy h ALA 222 Ca 0.51 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1sqy h ALA 222 Cb 2.21 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 1sqy h ALA 222 CO -0.01 0.68 -0.12 1.49 0.00 0.00 0.00 179.25 181.29 1sqy h GLU 223 N 1.01 0.00 0.00 0.00 4.81 -0.85 -3.08 114.58 116.46 1sqy h GLU 223 Ca 0.18 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.32 1sqy h GLU 223 Cb 0.53 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1sqy h GLU 223 CO 0.03 0.12 -0.45 0.00 -0.73 0.00 0.00 179.01 177.98 1sqy h ARG 224 N 0.00 0.00 -0.58 1.92 3.08 -1.41 -2.98 114.38 114.41 1sqy h ARG 224 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sqy h ARG 224 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1sqy h ARG 224 CO 0.02 0.45 0.00 -0.25 -1.07 0.00 0.00 179.97 179.11 1sqy n ASP 225 N -3.78 1.21 -0.44 7.04 9.92 -1.17 -2.62 116.55 126.71 1sqy n ASP 225 Ca -0.01 -2.08 0.11 0.00 -0.53 0.00 0.00 54.79 52.28 1sqy n ASP 225 Cb 0.51 -0.33 -0.02 0.00 -0.64 0.00 0.00 41.12 40.64 1sqy n ASP 225 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1sqy n GLU 226 N -0.03 1.07 -4.60 -1.24 1.02 -1.13 -4.91 120.64 110.83 1sqy n GLU 226 Ca 0.04 -0.89 -0.29 0.00 -0.02 0.00 0.00 57.16 56.00 1sqy n GLU 226 Cb 0.26 -1.48 -0.14 0.00 -0.02 0.00 0.00 31.44 30.06 1sqy n GLU 226 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1sqy s TYR 227 N -2.54 2.30 0.38 -0.32 2.02 -1.08 0.62 117.35 118.73 1sqy s TYR 227 Ca 0.17 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.52 1sqy s TYR 227 Cb 0.18 -1.30 -0.03 0.00 -0.40 0.00 0.00 41.96 40.41 1sqy s TYR 227 CO 0.61 0.25 0.14 -1.21 -1.57 0.00 0.00 175.55 173.77 1sqy s GLU 228 N -1.73 1.84 -0.01 -0.62 2.02 -0.98 -4.26 118.70 114.96 1sqy s GLU 228 Ca 0.13 -2.10 0.07 0.00 0.02 0.00 0.00 54.97 53.09 1sqy s GLU 228 Cb -0.10 -0.45 -0.02 0.00 0.10 0.00 0.00 34.13 33.66 1sqy s GLU 228 CO 0.04 -0.47 -0.22 -0.51 0.02 0.00 0.00 175.26 174.11 1sqy s LEU 229 N -3.54 2.30 -0.18 1.80 1.43 0.44 -1.59 118.68 119.33 1sqy s LEU 229 Ca 0.28 -0.43 -0.21 0.00 -1.03 0.00 0.00 54.13 52.74 1sqy s LEU 229 Cb 0.03 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 1sqy s LEU 229 CO 0.16 0.31 0.64 -0.76 0.23 0.00 0.00 176.35 176.93 1sqy s LEU 230 N -0.86 4.17 0.16 1.79 1.43 -0.60 -1.93 118.68 122.85 1sqy s LEU 230 Ca 0.11 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 1sqy s LEU 230 Cb -0.10 -2.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.16 1sqy s LEU 230 CO 0.01 -0.25 0.33 0.00 0.23 0.00 0.00 176.35 176.67 1sqy n PRO 232 N -0.48 0.14 -0.99 0.00 -0.04 -1.26 -1.92 135.00 130.45 1sqy n PRO 232 Ca -0.05 0.19 -0.15 0.00 -0.04 0.00 0.00 63.50 63.44 1sqy n PRO 232 Cb 0.53 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.69 1sqy n PRO 232 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1sqy n ASP 233 N -1.36 3.95 -3.49 3.54 5.75 -1.26 -4.90 116.55 118.78 1sqy n ASP 233 Ca 0.06 -3.25 -0.26 0.00 -0.01 0.00 0.00 54.79 51.33 1sqy n ASP 233 Cb 0.13 -0.76 0.02 0.00 -1.03 0.00 0.00 41.12 39.48 1sqy n ASP 233 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1sqy n ASN 234 N -0.59 -4.84 -4.33 -1.12 3.02 -0.81 -4.98 115.26 101.60 1sqy n ASN 234 Ca 0.45 -0.51 -0.26 0.00 -0.03 0.00 0.00 54.58 54.23 1sqy n ASN 234 Cb 1.41 -3.91 -0.09 0.00 -0.61 0.00 0.00 39.78 36.58 1sqy n ASN 234 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1sqy s THR 235 N -3.14 0.89 -0.01 3.41 -4.23 -1.25 -4.84 115.64 106.47 1sqy s THR 235 Ca 0.48 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.06 1sqy s THR 235 Cb -0.24 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.15 1sqy s THR 235 CO 0.60 0.00 -0.21 -0.13 -0.54 0.00 0.00 174.62 174.34 1sqy s ARG 236 N -3.78 1.66 0.10 3.99 0.52 -1.26 -1.00 118.95 119.18 1sqy s ARG 236 Ca 0.24 -0.76 -0.04 0.00 -0.52 0.00 0.00 55.73 54.64 1sqy s ARG 236 Cb 0.04 -1.62 -0.02 0.00 0.52 0.00 0.00 34.95 33.87 1sqy s ARG 236 CO 0.13 0.44 0.11 0.15 0.02 0.00 0.00 175.30 176.14 1sqy s LYS 237 N -0.55 0.85 0.68 3.54 1.02 -0.81 -4.93 119.74 119.54 1sqy s LYS 237 Ca 0.08 -1.20 -0.17 0.00 0.02 0.00 0.00 55.97 54.70 1sqy s LYS 237 Cb -0.08 0.28 -0.00 0.00 -0.52 0.00 0.00 37.83 37.51 1sqy s LYS 237 CO -0.01 -0.25 1.15 -2.30 -0.92 0.00 0.00 175.35 173.03 1sqy n PRO 238 N -0.05 0.81 0.03 -1.68 -0.02 -1.26 -0.42 135.00 132.40 1sqy n PRO 238 Ca -0.11 0.33 0.03 0.00 -2.02 0.00 0.00 63.50 61.74 1sqy n PRO 238 Cb 0.62 -2.38 0.16 0.00 -0.02 0.00 0.00 33.50 31.88 1sqy n PRO 238 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1sqy n VAL 239 N -2.22 1.62 0.79 -1.45 0.24 -1.26 -1.96 118.33 114.09 1sqy n VAL 239 Ca 0.15 0.46 0.12 0.00 -2.04 0.00 0.00 64.34 63.03 1sqy n VAL 239 Cb 0.49 -1.41 0.16 0.00 -1.47 0.00 0.00 33.84 31.61 1sqy n VAL 239 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1sqy n ASP 240 N -1.62 0.60 -2.15 -1.34 5.75 -1.26 -4.08 116.55 112.45 1sqy n ASP 240 Ca 0.01 -0.19 -0.27 0.00 -0.01 0.00 0.00 54.79 54.33 1sqy n ASP 240 Cb 0.05 0.40 0.09 0.00 -1.03 0.00 0.00 41.12 40.63 1sqy n ASP 240 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1sqy n LYS 241 N -1.76 2.31 0.27 0.11 4.01 -0.83 -4.62 118.16 117.65 1sqy n LYS 241 Ca 0.04 -2.69 0.14 0.00 -0.51 0.00 0.00 58.31 55.29 1sqy n LYS 241 Cb 0.38 -2.05 0.75 0.00 -0.51 0.00 0.00 35.03 33.60 1sqy n LYS 241 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1sqy h PHE 242 N 1.54 0.00 0.00 2.13 -5.15 -1.77 -1.27 116.94 112.43 1sqy h PHE 242 Ca 0.52 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.27 1sqy h PHE 242 Cb 1.35 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.52 1sqy h PHE 242 CO 1.27 0.10 -0.11 0.87 -2.00 0.00 0.00 178.31 178.45 1sqy h LYS 243 N 0.00 0.00 -0.36 6.09 1.57 -1.94 -2.47 116.57 119.45 1sqy h LYS 243 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sqy h LYS 243 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1sqy h LYS 243 CO 0.01 0.11 0.00 -0.25 -0.57 0.00 0.00 179.45 178.75 1sqy n ASP 244 N -4.28 3.19 -2.91 0.86 8.00 -0.52 -4.77 116.55 116.12 1sqy n ASP 244 Ca -0.03 -2.17 -0.10 0.00 0.71 0.00 0.00 54.79 53.21 1sqy n ASP 244 Cb 0.18 -0.30 -0.01 0.00 -0.02 0.00 0.00 41.12 40.97 1sqy n ASP 244 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sqy s HIS 246 N 0.61 0.21 0.12 0.00 -3.43 -1.24 -4.62 115.29 106.94 1sqy s HIS 246 Ca 0.31 -0.49 0.07 0.00 -0.80 0.00 0.00 55.06 54.15 1sqy s HIS 246 Cb 0.04 -0.15 -0.21 0.00 -1.43 0.00 0.00 32.58 30.82 1sqy s HIS 246 CO -0.10 -0.33 1.28 -0.07 -2.00 0.00 0.00 174.74 173.52 1sqy h LEU 247 N 3.88 0.00 -7.00 5.38 3.38 -1.15 -3.42 115.31 116.38 1sqy h LEU 247 Ca -0.32 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.74 1sqy h LEU 247 Cb 1.19 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.77 1sqy h LEU 247 CO 0.48 1.00 0.48 0.00 0.09 0.00 0.00 178.44 180.49 1sqy s ALA 248 N -2.71 -1.84 -0.24 1.53 0.00 -1.20 -5.01 121.76 112.29 1sqy s ALA 248 Ca 0.01 1.14 -0.07 0.00 0.00 0.00 0.00 51.96 53.04 1sqy s ALA 248 Cb 0.10 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1sqy s ALA 248 CO 0.82 -0.59 0.05 0.50 0.00 0.00 0.00 175.76 176.54 1sqy s ARG 249 N -2.61 3.62 0.14 0.00 3.52 -1.26 -1.69 118.95 120.67 1sqy s ARG 249 Ca 0.03 -0.50 0.07 0.00 -0.13 0.00 0.00 55.73 55.20 1sqy s ARG 249 Cb -0.01 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 1sqy s ARG 249 CO -0.06 -0.18 -0.16 0.14 -0.81 0.00 0.00 175.30 174.24 1sqy s VAL 250 N 1.56 1.52 0.55 7.11 -7.23 -0.33 -4.98 120.40 118.60 1sqy s VAL 250 Ca 0.06 -1.79 -0.20 0.00 -1.81 0.00 0.00 61.98 58.25 1sqy s VAL 250 Cb -0.15 -1.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 1sqy s VAL 250 CO 0.03 -0.37 1.17 -2.16 -0.31 0.00 0.00 175.10 173.46 1sqy s PRO 251 N -2.71 3.24 0.70 4.82 0.04 -1.26 -0.57 135.00 139.26 1sqy s PRO 251 Ca 0.11 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 1sqy s PRO 251 Cb -0.05 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1sqy s PRO 251 CO 0.04 -0.97 1.08 -1.54 0.04 0.00 0.00 177.00 175.65 1sqy s SER 252 N -1.63 5.14 0.79 6.66 1.04 -1.00 -4.68 113.70 120.03 1sqy s SER 252 Ca 0.74 1.78 -0.15 0.00 0.48 0.00 0.00 55.95 58.79 1sqy s SER 252 Cb -0.28 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.33 1sqy s SER 252 CO 0.31 -1.61 0.65 1.41 0.98 0.00 0.00 173.24 174.98 1sqy n HIS 253 N -2.94 -0.48 -3.86 5.02 8.25 -1.26 -4.71 115.22 115.24 1sqy n HIS 253 Ca 0.09 0.34 -0.11 0.00 -0.26 0.00 0.00 57.72 57.78 1sqy n HIS 253 Cb 0.53 -1.93 -0.09 0.00 1.12 0.00 0.00 29.99 29.62 1sqy n HIS 253 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sqy s ALA 254 N -2.05 -0.32 -0.01 -1.41 0.00 -0.67 -1.65 121.76 115.65 1sqy s ALA 254 Ca 0.65 -0.26 -0.28 0.00 0.00 0.00 0.00 51.96 52.07 1sqy s ALA 254 Cb -0.31 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 1sqy s ALA 254 CO 0.58 -0.31 0.91 0.08 0.00 0.00 0.00 175.76 177.03 1sqy s VAL 255 N -2.20 4.89 0.33 0.00 1.01 0.27 -0.72 120.40 123.98 1sqy s VAL 255 Ca -0.08 1.92 0.08 0.00 0.00 0.00 0.00 61.98 63.90 1sqy s VAL 255 Cb -0.03 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1sqy s VAL 255 CO -0.02 0.19 0.13 0.68 0.00 0.00 0.00 175.10 176.08 1sqy s VAL 256 N 0.89 3.07 0.27 2.92 -7.23 -0.13 -1.35 120.40 118.84 1sqy s VAL 256 Ca 0.48 -1.71 -0.21 0.00 -1.81 0.00 0.00 61.98 58.73 1sqy s VAL 256 Cb -0.20 -2.97 0.03 0.00 0.56 0.00 0.00 36.38 33.79 1sqy s VAL 256 CO 0.26 -0.20 0.76 0.00 -0.31 0.00 0.00 175.10 175.61 1sqy s ALA 257 N -2.41 -1.26 0.54 1.32 0.00 -0.43 -3.21 121.76 116.30 1sqy s ALA 257 Ca 0.37 -0.27 -0.18 0.00 0.00 0.00 0.00 51.96 51.88 1sqy s ALA 257 Cb -0.03 0.81 -0.06 0.00 0.00 0.00 0.00 23.12 23.84 1sqy s ALA 257 CO 0.22 -1.04 1.06 -0.98 0.00 0.00 0.00 175.76 175.02 1sqy s ARG 258 N -3.75 3.52 0.19 0.00 1.70 -1.26 -0.46 118.95 118.88 1sqy s ARG 258 Ca 0.11 1.33 -0.03 0.00 -0.47 0.00 0.00 55.73 56.68 1sqy s ARG 258 Cb -0.05 -2.05 0.10 0.00 -0.57 0.00 0.00 34.95 32.38 1sqy s ARG 258 CO 0.07 -0.66 1.49 0.77 -1.08 0.00 0.00 175.30 175.89 1sqy h SER 259 N 1.02 0.58 0.00 -2.89 0.02 -1.89 -3.28 113.55 107.12 1sqy h SER 259 Ca -0.48 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.14 1sqy h SER 259 Cb 1.23 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1sqy h SER 259 CO 0.58 1.04 0.00 1.33 -1.14 0.00 0.00 176.83 178.64 1sqy n VAL 260 N -3.93 0.00 -3.28 2.27 0.24 -1.26 -4.66 118.33 107.71 1sqy n VAL 260 Ca -0.03 0.06 -0.45 0.00 -2.04 0.00 0.00 64.34 61.88 1sqy n VAL 260 Cb 0.63 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 1sqy n VAL 260 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1sqy n ASN 261 N 0.00 5.52 0.02 -1.34 4.13 -1.26 -4.80 115.26 117.54 1sqy n ASN 261 Ca 0.00 -3.05 -0.01 0.00 1.68 0.00 0.00 54.58 53.20 1sqy n ASN 261 Cb 0.00 -1.40 -0.09 0.00 -1.54 0.00 0.00 39.78 36.75 1sqy n ASN 261 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1sqy h GLY 262 N 6.95 0.00 -1.62 7.41 0.00 -1.83 -3.45 103.07 110.54 1sqy h GLY 262 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.42 1sqy h GLY 262 CO 1.06 0.00 -0.17 0.28 0.00 0.00 0.00 176.54 177.71 1sqy n LYS 263 N -2.92 -1.37 -0.23 4.80 5.02 -1.26 -4.74 118.16 117.45 1sqy n LYS 263 Ca -0.11 0.25 0.02 0.00 -2.02 0.00 0.00 58.31 56.46 1sqy n LYS 263 Cb 0.87 -3.73 0.11 0.00 -0.02 0.00 0.00 35.03 32.27 1sqy n LYS 263 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1sqy h GLU 264 N -0.39 0.07 -0.73 1.97 3.07 -1.93 0.13 114.58 116.76 1sqy h GLU 264 Ca -0.15 -0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.77 1sqy h GLU 264 Cb 1.10 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.94 1sqy h GLU 264 CO 0.16 0.04 0.42 -0.44 -1.40 0.00 0.00 179.01 177.79 1sqy h ASP 265 N 0.07 0.64 -0.27 1.42 5.19 -1.98 0.26 116.42 121.75 1sqy h ASP 265 Ca 0.36 0.03 -0.05 0.00 -0.62 0.00 0.00 57.03 56.75 1sqy h ASP 265 Cb 0.60 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 1sqy h ASP 265 CO -0.64 0.41 -0.02 0.00 -3.12 0.00 0.00 179.24 175.87 1sqy h ALA 266 N 1.37 0.36 0.48 3.45 0.00 -1.40 0.19 119.26 123.71 1sqy h ALA 266 Ca 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1sqy h ALA 266 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1sqy h ALA 266 CO -0.18 0.12 -0.33 0.82 0.00 0.00 0.00 179.25 179.68 1sqy h ILE 267 N 0.26 0.32 -0.68 0.00 5.03 -0.15 -1.42 117.51 120.87 1sqy h ILE 267 Ca 0.07 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.90 1sqy h ILE 267 Cb 0.46 0.32 -0.07 0.00 -3.03 0.00 0.00 36.82 34.51 1sqy h ILE 267 CO 0.02 0.00 0.34 -0.25 -0.68 0.00 0.00 178.15 177.57 1sqy h TRP 268 N -0.78 0.61 -0.31 1.37 -0.00 -0.47 -1.54 115.95 114.82 1sqy h TRP 268 Ca -0.05 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.89 1sqy h TRP 268 Cb 0.66 -0.17 -0.03 0.00 -0.00 0.00 0.00 29.16 29.62 1sqy h TRP 268 CO -0.12 0.23 0.14 -0.97 -0.00 0.00 0.00 178.44 177.72 1sqy h ASN 269 N 0.59 0.19 0.07 2.65 -1.24 -0.74 -1.39 115.58 115.71 1sqy h ASN 269 Ca 0.33 0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.36 1sqy h ASN 269 Cb 0.32 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 1sqy h ASN 269 CO -0.25 0.15 -0.10 0.25 -1.29 0.00 0.00 177.43 176.19 1sqy h LEU 270 N 0.29 -0.27 0.28 0.34 5.85 -0.70 -2.33 115.31 118.77 1sqy h LEU 270 Ca 0.13 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1sqy h LEU 270 Cb 0.07 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1sqy h LEU 270 CO -0.11 -0.15 -0.40 -0.07 -0.34 0.00 0.00 178.44 177.38 1sqy h LEU 271 N -0.20 -1.12 -0.62 2.25 3.38 -1.08 0.12 115.31 118.04 1sqy h LEU 271 Ca 0.02 0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.21 1sqy h LEU 271 Cb 0.21 0.39 -0.09 0.00 0.09 0.00 0.00 40.66 41.27 1sqy h LEU 271 CO -0.05 -0.51 0.12 -0.09 0.09 0.00 0.00 178.44 178.00 1sqy h ARG 272 N -0.74 0.24 -0.43 1.13 2.43 -1.24 0.92 114.38 116.70 1sqy h ARG 272 Ca -0.01 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1sqy h ARG 272 Cb 0.70 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1sqy h ARG 272 CO -0.14 0.16 0.05 1.96 -1.51 0.00 0.00 179.97 180.49 1sqy h GLN 273 N 0.24 0.72 -0.74 0.20 1.08 -1.20 -0.63 115.11 114.78 1sqy h GLN 273 Ca 0.33 -0.20 0.02 0.00 -1.45 0.00 0.00 58.65 57.34 1sqy h GLN 273 Cb 0.51 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.82 1sqy h GLN 273 CO -0.43 0.77 0.49 0.00 -0.95 0.00 0.00 178.83 178.70 1sqy h ALA 274 N 0.92 0.96 -0.47 3.87 0.00 0.89 -0.61 119.26 124.83 1sqy h ALA 274 Ca 0.13 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1sqy h ALA 274 Cb 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1sqy h ALA 274 CO 0.01 0.33 0.01 0.37 0.00 0.00 0.00 179.25 179.97 1sqy h GLN 275 N 0.98 0.81 -0.08 0.00 4.15 0.12 0.13 115.11 121.21 1sqy h GLN 275 Ca 0.28 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 1sqy h GLN 275 Cb -0.07 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 1sqy h GLN 275 CO -0.08 0.86 0.00 1.49 -1.93 0.00 0.00 178.83 179.17 1sqy h GLU 276 N 0.67 0.13 0.00 1.69 4.81 -0.82 -1.33 114.58 119.73 1sqy h GLU 276 Ca 0.13 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.14 1sqy h GLU 276 Cb 0.48 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1sqy h GLU 276 CO 0.02 0.39 -0.85 0.87 -0.73 0.00 0.00 179.01 178.71 1sqy h LYS 277 N -0.14 0.08 0.00 1.92 6.56 -1.09 -3.38 116.57 120.52 1sqy h LYS 277 Ca 0.02 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1sqy h LYS 277 Cb 0.33 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 1sqy h LYS 277 CO 0.00 0.88 -0.17 1.19 -2.06 0.00 0.00 179.45 179.29 1sqy n PHE 278 N -3.60 0.00 -0.36 -1.35 3.72 0.43 -4.24 117.46 112.07 1sqy n PHE 278 Ca -0.02 -0.41 -0.04 0.00 -0.05 0.00 0.00 57.45 56.93 1sqy n PHE 278 Cb 0.80 -0.08 0.03 0.00 -0.94 0.00 0.00 39.48 39.30 1sqy n PHE 278 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sqy n GLY 279 N -0.56 -2.98 3.41 1.37 0.00 -0.50 -2.62 105.19 103.30 1sqy n GLY 279 Ca 0.05 -1.37 -0.56 0.00 0.00 0.00 0.00 46.02 44.14 1sqy n GLY 279 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sqy n LYS 280 N -2.15 0.58 -3.28 1.61 4.81 -1.26 -2.66 118.16 115.81 1sqy n LYS 280 Ca 0.02 0.17 -0.13 0.00 -0.87 0.00 0.00 58.31 57.50 1sqy n LYS 280 Cb 0.08 -1.97 0.01 0.00 0.02 0.00 0.00 35.03 33.16 1sqy n LYS 280 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1sqy n ASP 281 N 8.10 -6.73 0.00 3.14 9.92 -1.26 -4.96 116.55 124.76 1sqy n ASP 281 Ca 0.45 -0.24 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 1sqy n ASP 281 Cb 0.09 -3.89 0.00 0.00 -0.64 0.00 0.00 41.12 36.68 1sqy n ASP 281 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1sqy n LYS 282 N -1.60 0.00 -3.68 -1.24 4.01 -1.09 -5.08 118.16 109.49 1sqy n LYS 282 Ca -0.08 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.62 1sqy n LYS 282 Cb 0.57 -0.78 -0.11 0.00 -0.51 0.00 0.00 35.03 34.21 1sqy n LYS 282 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1sqy s SER 283 N -3.78 -0.28 0.35 4.39 0.15 -1.26 -4.96 113.70 108.31 1sqy s SER 283 Ca 0.00 0.87 0.05 0.00 0.70 0.00 0.00 55.95 57.57 1sqy s SER 283 Cb 0.00 0.97 0.65 0.00 -1.71 0.00 0.00 66.02 65.93 1sqy s SER 283 CO 0.00 -0.21 1.90 -0.65 1.20 0.00 0.00 173.24 175.48 1sqy h PRO 284 N 7.70 0.51 -0.15 5.44 0.11 -1.97 -2.37 132.00 141.27 1sqy h PRO 284 Ca -0.26 -0.10 0.04 0.00 0.11 0.00 0.00 66.00 65.80 1sqy h PRO 284 Cb 1.14 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1sqy h PRO 284 CO 0.21 0.52 0.21 0.00 -0.21 0.00 0.00 178.00 178.73 1sqy h ALA 285 N 1.54 1.68 -1.99 -0.75 0.00 -2.01 -3.43 119.26 114.30 1sqy h ALA 285 Ca 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1sqy h ALA 285 Cb 0.27 0.01 -0.21 0.00 0.00 0.00 0.00 17.79 17.87 1sqy h ALA 285 CO 0.00 -0.29 0.15 0.12 0.00 0.00 0.00 179.25 179.23 1sqy s PHE 286 N -4.51 -0.76 -0.23 0.00 5.36 -0.89 -5.12 117.98 111.83 1sqy s PHE 286 Ca -0.04 1.76 -0.01 0.00 -0.96 0.00 0.00 56.93 57.67 1sqy s PHE 286 Cb 0.14 0.30 0.07 0.00 -0.34 0.00 0.00 43.02 43.19 1sqy s PHE 286 CO 0.50 -0.42 0.01 -0.65 -1.46 0.00 0.00 175.22 173.20 1sqy s GLN 287 N 0.07 1.04 0.41 10.12 -0.21 -1.26 -4.33 119.66 125.50 1sqy s GLN 287 Ca -0.02 -0.77 0.09 0.00 0.02 0.00 0.00 55.36 54.67 1sqy s GLN 287 Cb -0.04 -2.30 0.87 0.00 1.00 0.00 0.00 33.01 32.54 1sqy s GLN 287 CO 0.03 -0.69 2.01 1.25 -2.12 0.00 0.00 175.29 175.77 1sqy h LEU 288 N 8.10 0.34 -3.50 2.90 5.85 -1.82 -2.53 115.31 124.65 1sqy h LEU 288 Ca -0.16 -0.03 -0.22 0.00 0.84 0.00 0.00 57.88 58.31 1sqy h LEU 288 Cb 1.08 -0.09 -0.13 0.00 0.37 0.00 0.00 40.66 41.90 1sqy h LEU 288 CO 0.39 0.33 0.11 0.49 -0.34 0.00 0.00 178.44 179.42 1sqy n PHE 289 N -4.41 1.57 -4.29 1.25 3.72 -1.26 -4.71 117.46 109.33 1sqy n PHE 289 Ca 0.01 -1.49 -0.22 0.00 -0.05 0.00 0.00 57.45 55.70 1sqy n PHE 289 Cb 0.14 -0.57 -0.12 0.00 -0.94 0.00 0.00 39.48 37.99 1sqy n PHE 289 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1sqy s GLY 290 N -2.06 1.25 0.01 1.37 0.00 -0.96 -1.22 107.32 105.71 1sqy s GLY 290 Ca 0.48 -1.33 0.01 0.00 0.00 0.00 0.00 44.72 43.88 1sqy s GLY 290 CO 0.05 -1.36 -0.05 -0.56 0.00 0.00 0.00 173.10 171.18 1sqy s SER 291 N -2.27 0.56 0.55 1.64 0.01 -1.26 -4.83 113.70 108.10 1sqy s SER 291 Ca 0.10 -0.25 -0.18 0.00 1.31 0.00 0.00 55.95 56.93 1sqy s SER 291 Cb -0.08 -0.01 -0.11 0.00 0.21 0.00 0.00 66.02 66.03 1sqy s SER 291 CO 0.05 -0.06 0.26 -2.65 0.41 0.00 0.00 173.24 171.25 1sqy n PRO 292 N 2.41 0.30 0.00 12.44 -0.02 -1.26 -4.75 135.00 144.12 1sqy n PRO 292 Ca -0.17 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1sqy n PRO 292 Cb 0.57 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 1sqy n PRO 292 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1sqy n SER 293 N 1.29 0.00 0.00 2.55 7.64 -1.26 0.38 113.62 124.22 1sqy n SER 293 Ca 0.10 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1sqy n SER 293 Cb 0.47 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1sqy n SER 293 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sqy n GLY 294 N -0.81 -0.33 3.53 0.23 0.00 -1.26 -4.74 105.19 101.82 1sqy n GLY 294 Ca 0.00 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1sqy n GLY 294 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sqy s GLN 295 N -2.00 1.81 -0.17 1.61 -1.52 0.16 -5.15 119.66 114.40 1sqy s GLN 295 Ca 0.00 -1.88 -0.14 0.00 -1.95 0.00 0.00 55.36 51.40 1sqy s GLN 295 Cb 0.00 -1.74 0.05 0.00 -0.22 0.00 0.00 33.01 31.09 1sqy s GLN 295 CO 0.00 0.19 0.43 0.15 -0.25 0.00 0.00 175.29 175.82 1sqy s LYS 296 N -3.59 0.49 -1.29 2.91 -0.14 -1.26 -4.53 119.74 112.32 1sqy s LYS 296 Ca 0.32 0.65 -0.02 0.00 -1.36 0.00 0.00 55.97 55.56 1sqy s LYS 296 Cb 0.00 0.19 -0.00 0.00 -1.68 0.00 0.00 37.83 36.34 1sqy s LYS 296 CO 0.16 -0.08 0.68 -0.25 -0.76 0.00 0.00 175.35 175.11 1sqy n ASP 297 N 3.14 -1.56 -4.64 2.83 8.00 -1.26 -4.96 116.55 118.10 1sqy n ASP 297 Ca -0.15 -0.85 -0.43 0.00 0.71 0.00 0.00 54.79 54.07 1sqy n ASP 297 Cb 0.57 -3.95 -0.02 0.00 -0.02 0.00 0.00 41.12 37.70 1sqy n ASP 297 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1sqy s LEU 298 N -6.64 3.97 0.00 0.64 1.43 -1.26 -4.14 118.68 112.67 1sqy s LEU 298 Ca 0.05 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 1sqy s LEU 298 Cb -0.01 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1sqy s LEU 298 CO 0.82 -0.83 0.00 0.18 0.23 0.00 0.00 176.35 176.75 1sqy n LEU 299 N 6.74 0.00 -4.18 1.79 4.77 -1.26 -4.81 117.00 120.05 1sqy n LEU 299 Ca 0.12 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.98 1sqy n LEU 299 Cb 0.47 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 1sqy n LEU 299 CO 0.57 0.00 -0.20 -0.36 -1.33 0.00 0.00 177.39 176.08 1sqy s PHE 300 N 0.00 1.06 0.08 -1.77 0.08 -1.26 -4.51 117.98 111.66 1sqy s PHE 300 Ca 0.00 -1.30 -0.30 0.00 0.12 0.00 0.00 56.93 55.44 1sqy s PHE 300 Cb 0.00 -0.48 -0.06 0.00 -0.57 0.00 0.00 43.02 41.92 1sqy s PHE 300 CO 0.00 -0.67 1.13 0.21 -0.10 0.00 0.00 175.22 175.79 1sqy s LYS 301 N -4.14 4.50 0.42 0.44 2.36 -1.26 -4.34 119.74 117.71 1sqy s LYS 301 Ca 0.37 1.69 -0.25 0.00 -2.55 0.00 0.00 55.97 55.22 1sqy s LYS 301 Cb 0.06 -3.35 -0.08 0.00 -1.05 0.00 0.00 37.83 33.41 1sqy s LYS 301 CO 0.11 -0.14 1.29 -0.51 1.55 0.00 0.00 175.35 177.66 1sqy s ASP 302 N 0.76 6.23 0.00 1.43 1.01 -1.26 -2.27 116.67 122.57 1sqy s ASP 302 Ca 0.55 2.62 0.00 0.00 0.71 0.00 0.00 52.55 56.43 1sqy s ASP 302 Cb -0.28 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.02 1sqy s ASP 302 CO 0.30 -0.90 0.00 -1.20 0.21 0.00 0.00 175.17 173.58 1sqy n SER 303 N -0.00 -0.79 -4.74 0.27 7.64 -0.35 -5.00 113.62 110.64 1sqy n SER 303 Ca 0.04 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.58 1sqy n SER 303 Cb 0.44 -0.51 0.07 0.00 -1.01 0.00 0.00 64.21 63.20 1sqy n SER 303 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sqy s ALA 304 N -3.16 2.30 -0.72 -0.43 0.00 -0.96 -4.84 121.76 113.95 1sqy s ALA 304 Ca 0.00 0.91 0.13 0.00 0.00 0.00 0.00 51.96 53.00 1sqy s ALA 304 Cb 0.00 -3.46 0.38 0.00 0.00 0.00 0.00 23.12 20.04 1sqy s ALA 304 CO 0.00 -1.58 1.31 0.44 0.00 0.00 0.00 175.76 175.94 1sqy n ILE 305 N -2.28 1.39 -1.27 0.00 -5.35 0.06 -4.80 119.36 107.11 1sqy n ILE 305 Ca 0.13 -1.26 0.00 0.00 -0.27 0.00 0.00 62.75 61.36 1sqy n ILE 305 Cb 0.50 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.68 1sqy n ILE 305 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sqy n GLY 306 N 0.24 -0.48 3.36 3.28 0.00 -1.25 -4.83 105.19 105.51 1sqy n GLY 306 Ca 0.15 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.32 1sqy n GLY 306 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sqy s PHE 307 N -2.13 2.07 -0.12 1.61 0.40 -1.26 -0.91 117.98 117.64 1sqy s PHE 307 Ca 0.00 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 55.95 1sqy s PHE 307 Cb 0.00 -1.08 0.01 0.00 0.51 0.00 0.00 43.02 42.47 1sqy s PHE 307 CO 0.00 0.35 -0.17 0.45 0.70 0.00 0.00 175.22 176.55 1sqy s SER 308 N -2.33 2.62 0.19 1.36 0.15 -0.83 -4.93 113.70 109.92 1sqy s SER 308 Ca 0.14 -0.47 -0.31 0.00 0.70 0.00 0.00 55.95 56.01 1sqy s SER 308 Cb -0.08 -1.18 -0.10 0.00 -1.71 0.00 0.00 66.02 62.95 1sqy s SER 308 CO 0.07 0.03 1.51 -0.60 1.20 0.00 0.00 173.24 175.45 1sqy s ARG 309 N 0.97 4.24 -0.18 5.44 3.52 -1.26 -1.65 118.95 130.02 1sqy s ARG 309 Ca -0.06 2.32 -0.19 0.00 -0.13 0.00 0.00 55.73 57.67 1sqy s ARG 309 Cb -0.15 -3.15 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 1sqy s ARG 309 CO -0.02 -0.53 0.53 0.08 -0.81 0.00 0.00 175.30 174.55 1sqy s VAL 310 N 0.77 5.10 0.41 7.11 1.01 -0.57 -4.92 120.40 129.32 1sqy s VAL 310 Ca 0.66 1.00 -0.25 0.00 0.00 0.00 0.00 61.98 63.39 1sqy s VAL 310 Cb -0.42 -3.86 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 1sqy s VAL 310 CO 0.35 0.19 1.22 -2.65 0.00 0.00 0.00 175.10 174.21 1sqy n PRO 311 N 4.64 1.82 -0.27 2.72 -0.02 -1.26 -4.84 135.00 137.77 1sqy n PRO 311 Ca -0.04 0.65 0.08 0.00 -2.02 0.00 0.00 63.50 62.16 1sqy n PRO 311 Cb 0.50 -2.30 0.22 0.00 -0.02 0.00 0.00 33.50 31.90 1sqy n PRO 311 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1sqy h PRO 312 N 2.01 0.39 0.00 0.52 0.11 -1.95 -1.86 132.00 131.22 1sqy h PRO 312 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1sqy h PRO 312 Cb 1.30 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1sqy h PRO 312 CO 0.59 0.26 0.00 -0.09 -0.21 0.00 0.00 178.00 178.56 1sqy h ARG 313 N 0.41 0.00 -6.47 1.05 9.65 -1.92 -3.43 114.38 113.67 1sqy h ARG 313 Ca 0.46 0.00 -0.53 0.00 -1.10 0.00 0.00 59.98 58.81 1sqy h ARG 313 Cb 0.77 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.33 1sqy h ARG 313 CO -0.46 0.00 0.40 0.42 2.80 0.00 0.00 179.97 183.13 1sqy s ILE 314 N -3.91 4.62 0.40 1.20 1.01 -0.70 -5.04 121.20 118.78 1sqy s ILE 314 Ca -0.03 1.96 0.02 0.00 0.00 0.00 0.00 60.65 62.60 1sqy s ILE 314 Cb 0.11 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.34 1sqy s ILE 314 CO 0.42 0.20 0.13 -0.90 0.00 0.00 0.00 174.94 174.78 1sqy n ASP 315 N 3.55 2.79 -0.13 3.58 5.75 -1.26 -4.77 116.55 126.06 1sqy n ASP 315 Ca 0.05 -2.61 -0.06 0.00 -0.01 0.00 0.00 54.79 52.17 1sqy n ASP 315 Cb 0.50 0.15 0.03 0.00 -1.03 0.00 0.00 41.12 40.77 1sqy n ASP 315 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1sqy h SER 316 N 0.76 0.25 0.31 -1.12 4.64 -1.92 -1.20 113.55 115.28 1sqy h SER 316 Ca -0.30 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1sqy h SER 316 Cb 0.98 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1sqy h SER 316 CO 0.49 0.18 -0.26 1.23 -0.87 0.00 0.00 176.83 177.61 1sqy h GLY 317 N 0.38 -0.61 0.92 -0.77 0.00 -1.96 -2.25 103.07 98.78 1sqy h GLY 317 Ca 0.19 0.29 0.06 0.00 0.00 0.00 0.00 47.33 47.87 1sqy h GLY 317 CO -0.15 -0.24 0.58 1.41 0.00 0.00 0.00 176.54 178.13 1sqy h LEU 318 N -0.58 0.90 -0.55 3.11 3.38 -1.88 -2.51 115.31 117.18 1sqy h LEU 318 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1sqy h LEU 318 Cb 0.52 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1sqy h LEU 318 CO -0.02 0.59 0.36 0.22 0.09 0.00 0.00 178.44 179.68 1sqy h TYR 319 N 1.03 0.70 0.00 1.13 3.20 -0.80 -2.89 116.97 119.34 1sqy h TYR 319 Ca 0.37 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.24 1sqy h TYR 319 Cb 0.15 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 1sqy h TYR 319 CO -0.00 0.44 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.81 1sqy h LEU 320 N 0.75 0.00 0.00 2.82 3.38 -0.98 -3.47 115.31 117.81 1sqy h LEU 320 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1sqy h LEU 320 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1sqy h LEU 320 CO -0.04 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1sqy n GLY 321 N 0.01 -0.64 0.23 0.83 0.00 -1.09 -4.17 105.19 100.35 1sqy n GLY 321 Ca 0.00 -1.49 -0.07 0.00 0.00 0.00 0.00 46.02 44.46 1sqy n GLY 321 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1sqy h SER 322 N 0.00 0.67 0.61 1.61 4.64 -1.83 0.80 113.55 120.06 1sqy h SER 322 Ca 0.00 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 1sqy h SER 322 Cb 0.00 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 1sqy h SER 322 CO 0.00 0.59 -0.49 1.23 -0.87 0.00 0.00 176.83 177.29 1sqy h GLY 323 N 0.70 -1.27 1.13 -0.77 0.00 -1.88 -1.38 103.07 99.60 1sqy h GLY 323 Ca 0.18 0.56 -0.11 0.00 0.00 0.00 0.00 47.33 47.96 1sqy h GLY 323 CO -0.03 -0.40 -0.11 -1.82 0.00 0.00 0.00 176.54 174.18 1sqy h TYR 324 N -1.07 1.13 -0.17 5.60 3.20 -1.73 -0.27 116.97 123.66 1sqy h TYR 324 Ca -0.08 -0.23 -0.00 0.00 3.14 0.00 0.00 58.73 61.56 1sqy h TYR 324 Cb 0.90 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1sqy h TYR 324 CO -0.20 1.05 0.09 0.35 -1.64 0.00 0.00 178.16 177.82 1sqy h PHE 325 N 0.90 0.23 0.00 -3.82 3.57 -0.83 -1.25 116.94 115.74 1sqy h PHE 325 Ca 0.14 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1sqy h PHE 325 Cb 0.68 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1sqy h PHE 325 CO 0.04 0.23 0.00 1.79 -2.23 0.00 0.00 178.31 178.15 1sqy h THR 326 N 0.17 0.00 -0.21 4.41 1.35 -1.16 -3.02 112.91 114.45 1sqy h THR 326 Ca 0.06 -0.66 -0.20 0.00 -0.55 0.00 0.00 66.41 65.06 1sqy h THR 326 Cb 0.08 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1sqy h THR 326 CO -0.01 0.00 -0.66 0.00 -0.25 0.00 0.00 175.52 174.60 1sqy h ALA 327 N 2.15 0.43 0.71 6.62 0.00 -0.42 -1.96 119.26 126.80 1sqy h ALA 327 Ca 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 1sqy h ALA 327 Cb 0.74 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1sqy h ALA 327 CO 0.00 0.69 -0.42 0.82 0.00 0.00 0.00 179.25 180.34 1sqy h ILE 328 N 0.57 0.16 -0.91 0.00 1.08 -1.13 -2.89 117.51 114.39 1sqy h ILE 328 Ca -0.02 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.65 1sqy h ILE 328 Cb 1.27 0.16 -0.11 0.00 -3.07 0.00 0.00 36.82 35.06 1sqy h ILE 328 CO 0.14 0.00 0.46 1.56 -0.69 0.00 0.00 178.15 179.62 1sqy h GLN 329 N -1.06 0.52 0.00 2.37 4.20 -1.51 -0.42 115.11 119.20 1sqy h GLN 329 Ca -0.09 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1sqy h GLN 329 Cb 0.84 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1sqy h GLN 329 CO 0.11 0.34 0.00 -0.91 -0.67 0.00 0.00 178.83 177.70 1sqy h ASN 330 N 0.53 0.00 0.44 1.46 -0.26 -1.14 -2.40 115.58 114.21 1sqy h ASN 330 Ca 0.55 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.29 1sqy h ASN 330 Cb 0.96 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.22 1sqy h ASN 330 CO -0.46 0.00 0.00 0.18 -1.06 0.00 0.00 177.43 176.09 1sqy n LEU 331 N -2.37 0.00 -0.44 1.61 4.77 -0.17 -2.21 117.00 118.19 1sqy n LEU 331 Ca 0.00 0.36 0.08 0.00 -0.03 0.00 0.00 56.01 56.42 1sqy n LEU 331 Cb 0.14 -0.36 0.18 0.00 -2.33 0.00 0.00 43.42 41.05 1sqy n LEU 331 CO 0.16 -0.14 0.57 0.54 -1.33 0.00 0.00 177.39 177.18 1sqy n ARG 332 N -1.36 1.71 -4.24 3.23 3.00 -0.90 -4.78 116.66 113.31 1sqy n ARG 332 Ca 0.07 -2.83 -0.14 0.00 -0.01 0.00 0.00 57.85 54.94 1sqy n ARG 332 Cb 0.17 -1.62 -0.10 0.00 0.00 0.00 0.00 32.46 30.91 1sqy n ARG 332 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1sqy s LYS 333 N -2.98 1.02 0.44 5.56 1.02 -0.94 -4.81 119.74 119.06 1sqy s LYS 333 Ca 0.36 -1.42 -0.10 0.00 0.02 0.00 0.00 55.97 54.83 1sqy s LYS 333 Cb 0.32 -0.58 -0.06 0.00 -0.52 0.00 0.00 37.83 36.99 1sqy s LYS 333 CO 0.02 0.07 0.80 -1.54 -0.92 0.00 0.00 175.35 173.78 1sqy s SER 334 N -3.10 6.46 0.59 2.83 1.04 -1.26 -4.77 113.70 115.49 1sqy s SER 334 Ca 0.15 1.14 0.28 0.00 0.48 0.00 0.00 55.95 58.01 1sqy s SER 334 Cb 0.02 -2.33 1.67 0.00 0.10 0.00 0.00 66.02 65.48 1sqy s SER 334 CO -0.00 -0.47 2.12 -0.33 0.98 0.00 0.00 173.24 175.54 1sqy h GLU 335 N 0.95 0.00 0.09 4.02 5.08 -1.90 -1.05 114.58 121.78 1sqy h GLU 335 Ca -0.47 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.62 1sqy h GLU 335 Cb 1.19 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.46 1sqy h GLU 335 CO 0.63 0.00 -1.17 0.93 -1.00 0.00 0.00 179.01 178.40 1sqy h GLU 336 N 0.00 0.48 -0.35 2.33 3.07 -1.97 -1.67 114.58 116.47 1sqy h GLU 336 Ca 0.07 -0.65 -0.13 0.00 -0.50 0.00 0.00 59.36 58.16 1sqy h GLU 336 Cb 0.41 0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 1sqy h GLU 336 CO -0.00 1.27 -0.31 1.49 -1.40 0.00 0.00 179.01 180.06 1sqy h GLU 337 N 0.21 0.77 -0.27 2.33 4.81 -1.61 -1.76 114.58 119.07 1sqy h GLU 337 Ca -0.15 -0.36 -0.09 0.00 -0.13 0.00 0.00 59.36 58.64 1sqy h GLU 337 Cb 1.85 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.21 1sqy h GLU 337 CO 0.21 0.98 -0.17 0.28 -0.73 0.00 0.00 179.01 179.58 1sqy h VAL 338 N 0.65 1.30 0.00 0.32 2.07 -1.36 -2.36 116.25 116.88 1sqy h VAL 338 Ca 0.07 -1.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.23 1sqy h VAL 338 Cb 0.84 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1sqy h VAL 338 CO 0.07 0.41 -0.35 0.00 0.02 0.00 0.00 177.57 177.72 1sqy h ALA 339 N 0.73 1.26 -0.17 1.67 0.00 -1.23 -2.12 119.26 119.38 1sqy h ALA 339 Ca 0.06 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.46 1sqy h ALA 339 Cb 0.70 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1sqy h ALA 339 CO 0.05 0.44 -0.63 0.00 0.00 0.00 0.00 179.25 179.11 1sqy h ALA 340 N 1.65 0.57 -0.39 0.00 0.00 -1.16 -2.04 119.26 117.88 1sqy h ALA 340 Ca -0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 1sqy h ALA 340 Cb 0.69 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1sqy h ALA 340 CO 0.05 0.70 -0.23 -0.09 0.00 0.00 0.00 179.25 179.67 1sqy h ARG 341 N 0.45 0.79 0.00 0.00 9.65 -1.22 -2.12 114.38 121.94 1sqy h ARG 341 Ca -0.01 -0.33 -0.04 0.00 -1.10 0.00 0.00 59.98 58.50 1sqy h ARG 341 Cb 1.20 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 1sqy h ARG 341 CO 0.12 0.95 -0.19 0.00 2.80 0.00 0.00 179.97 183.65 1sqy h ARG 342 N 0.69 0.00 0.00 0.20 3.08 -1.22 -2.60 114.38 114.53 1sqy h ARG 342 Ca 0.09 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 1sqy h ARG 342 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1sqy h ARG 342 CO 0.06 0.19 -0.85 0.00 -1.07 0.00 0.00 179.97 178.30 1sqy h ALA 343 N 1.81 0.67 -2.58 0.04 0.00 -0.97 -3.47 119.26 114.76 1sqy h ALA 343 Ca -0.00 -0.42 -0.55 0.00 0.00 0.00 0.00 54.91 53.94 1sqy h ALA 343 Cb 0.37 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1sqy h ALA 343 CO 0.03 0.49 -0.25 -0.98 0.00 0.00 0.00 179.25 178.53 1sqy s ARG 344 N -3.08 3.62 -0.29 0.00 1.70 -0.83 -4.95 118.95 115.12 1sqy s ARG 344 Ca 0.01 -0.08 -0.08 0.00 -0.47 0.00 0.00 55.73 55.11 1sqy s ARG 344 Cb 0.08 -2.77 -0.00 0.00 -0.57 0.00 0.00 34.95 31.68 1sqy s ARG 344 CO 0.77 0.37 0.10 0.08 -1.08 0.00 0.00 175.30 175.54 1sqy s VAL 345 N -1.83 4.24 -0.39 4.99 1.01 -0.36 -4.93 120.40 123.12 1sqy s VAL 345 Ca 0.42 -0.49 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 1sqy s VAL 345 Cb -0.11 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.14 1sqy s VAL 345 CO 0.27 0.14 0.43 -0.69 0.00 0.00 0.00 175.10 175.24 1sqy s VAL 346 N 1.56 5.09 0.29 2.92 1.01 -1.26 -1.05 120.40 128.96 1sqy s VAL 346 Ca 0.04 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.72 1sqy s VAL 346 Cb -0.17 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 1sqy s VAL 346 CO 0.04 -0.31 0.74 0.86 0.00 0.00 0.00 175.10 176.43 1sqy s TRP 347 N 2.16 3.48 -0.22 5.22 -0.11 -0.02 0.64 118.94 130.10 1sqy s TRP 347 Ca 0.13 1.31 -0.05 0.00 1.22 0.00 0.00 56.10 58.70 1sqy s TRP 347 Cb -0.17 -2.58 -0.02 0.00 -1.50 0.00 0.00 33.47 29.20 1sqy s TRP 347 CO 0.13 0.19 0.00 0.00 -4.62 0.00 0.00 176.95 172.65 1sqy s ALA 349 N 1.27 3.76 -0.61 0.00 0.00 -0.61 -4.80 121.76 120.77 1sqy s ALA 349 Ca 0.04 -0.67 -0.13 0.00 0.00 0.00 0.00 51.96 51.19 1sqy s ALA 349 Cb -0.15 -1.94 0.15 0.00 0.00 0.00 0.00 23.12 21.19 1sqy s ALA 349 CO 0.01 0.52 0.54 0.08 0.00 0.00 0.00 175.76 176.91 1sqy s VAL 350 N -0.72 5.00 0.00 0.00 1.01 -1.26 -2.40 120.40 122.03 1sqy s VAL 350 Ca 0.13 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1sqy s VAL 350 Cb -0.12 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1sqy s VAL 350 CO 0.03 -0.89 0.00 0.61 0.00 0.00 0.00 175.10 174.84 1sqy n GLY 351 N 4.70 2.44 0.27 4.51 0.00 -0.91 -4.48 105.19 111.72 1sqy n GLY 351 Ca -0.03 -1.85 0.01 0.00 0.00 0.00 0.00 46.02 44.15 1sqy n GLY 351 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sqy h GLU 352 N 0.00 0.47 -0.62 1.61 3.07 -1.92 -0.50 114.58 116.69 1sqy h GLU 352 Ca 0.00 -0.09 -0.07 0.00 -0.50 0.00 0.00 59.36 58.70 1sqy h GLU 352 Cb 0.00 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 1sqy h GLU 352 CO 0.00 0.49 0.13 1.96 -1.40 0.00 0.00 179.01 180.19 1sqy h GLN 353 N 0.46 1.00 -0.28 2.33 4.20 -1.99 0.13 115.11 120.97 1sqy h GLN 353 Ca 0.10 -0.25 -0.17 0.00 0.06 0.00 0.00 58.65 58.39 1sqy h GLN 353 Cb 0.28 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1sqy h GLN 353 CO 0.01 0.92 -0.48 0.93 -0.67 0.00 0.00 178.83 179.54 1sqy h GLU 354 N 0.92 0.77 -0.91 1.46 5.08 -1.67 -2.58 114.58 117.64 1sqy h GLU 354 Ca 0.19 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1sqy h GLU 354 Cb 0.39 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1sqy h GLU 354 CO 0.01 1.08 0.51 1.25 -1.00 0.00 0.00 179.01 180.85 1sqy h LEU 355 N 0.61 1.13 0.27 1.33 5.85 -0.82 0.93 115.31 124.60 1sqy h LEU 355 Ca 0.03 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1sqy h LEU 355 Cb 1.06 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1sqy h LEU 355 CO 0.10 0.90 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.88 1sqy h ARG 356 N 1.27 -0.35 -0.49 1.25 2.43 -0.84 0.18 114.38 117.83 1sqy h ARG 356 Ca 0.32 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.49 1sqy h ARG 356 Cb 0.01 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1sqy h ARG 356 CO -0.05 -0.19 0.20 -0.22 -1.51 0.00 0.00 179.97 178.19 1sqy h LYS 357 N -0.41 0.71 -0.31 0.20 3.64 -1.27 -2.57 116.57 116.55 1sqy h LYS 357 Ca -0.04 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1sqy h LYS 357 Cb 0.31 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1sqy h LYS 357 CO 0.06 0.58 0.15 0.00 -2.27 0.00 0.00 179.45 177.97 1sqy h ASN 359 N 0.37 0.67 -0.91 0.00 2.35 -0.28 -0.12 115.58 117.66 1sqy h ASN 359 Ca 0.11 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1sqy h ASN 359 Cb 0.12 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.33 1sqy h ASN 359 CO -0.01 0.43 0.60 -0.61 -1.65 0.00 0.00 177.43 176.19 1sqy h GLN 360 N 0.80 1.18 -0.48 0.81 4.15 -1.30 -1.03 115.11 119.24 1sqy h GLN 360 Ca 0.33 -0.07 -0.13 0.00 0.77 0.00 0.00 58.65 59.55 1sqy h GLN 360 Cb 0.17 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 1sqy h GLN 360 CO -0.17 0.78 -0.21 2.35 -1.93 0.00 0.00 178.83 179.65 1sqy h TRP 361 N 1.22 1.11 0.60 3.99 7.01 -0.91 -3.25 115.95 125.73 1sqy h TRP 361 Ca 0.34 -0.26 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 1sqy h TRP 361 Cb -0.12 -0.26 0.01 0.00 -2.10 0.00 0.00 29.16 26.68 1sqy h TRP 361 CO -0.01 1.08 -0.29 1.03 -2.79 0.00 0.00 178.44 177.46 1sqy h SER 362 N 0.84 -0.69 0.00 2.65 0.87 -0.49 -1.32 113.55 115.42 1sqy h SER 362 Ca 0.11 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1sqy h SER 362 Cb 0.78 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1sqy h SER 362 CO 0.06 -0.49 0.20 0.61 -0.53 0.00 0.00 176.83 176.68 1sqy n GLY 363 N -1.43 -0.29 0.00 5.77 0.00 -0.44 -0.69 105.19 108.11 1sqy n GLY 363 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1sqy n GLY 363 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sqy n LEU 364 N -1.29 1.56 -0.66 0.99 4.32 -0.55 -4.72 117.00 116.65 1sqy n LEU 364 Ca 0.00 -1.56 0.06 0.00 -0.02 0.00 0.00 56.01 54.48 1sqy n LEU 364 Cb 0.20 0.00 0.16 0.00 -1.62 0.00 0.00 43.42 42.16 1sqy n LEU 364 CO 0.00 0.39 0.63 -1.54 -1.22 0.00 0.00 177.39 175.65 1sqy n SER 365 N -0.29 1.92 -4.02 -1.43 3.41 0.14 -4.91 113.62 108.43 1sqy n SER 365 Ca 0.00 -2.01 -0.33 0.00 -0.26 0.00 0.00 58.87 56.28 1sqy n SER 365 Cb 0.16 -0.24 0.01 0.00 -0.26 0.00 0.00 64.21 63.87 1sqy n SER 365 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1sqy n GLU 366 N 0.54 -4.61 -0.76 4.33 1.02 -1.26 -1.34 120.64 118.55 1sqy n GLU 366 Ca 0.12 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 1sqy n GLU 366 Cb 0.30 -5.35 0.00 0.00 -0.02 0.00 0.00 31.44 26.38 1sqy n GLU 366 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sqy n GLY 367 N -1.57 1.07 0.16 0.62 0.00 -1.26 -4.93 105.19 99.28 1sqy n GLY 367 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1sqy n GLY 367 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1sqy h SER 368 N 0.00 0.00 -3.79 1.61 4.64 -1.56 -3.45 113.55 111.00 1sqy h SER 368 Ca 0.00 -0.02 -0.39 0.00 -0.47 0.00 0.00 61.79 60.91 1sqy h SER 368 Cb 0.00 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 61.78 1sqy h SER 368 CO 0.00 0.01 -0.77 -0.69 -0.87 0.00 0.00 176.83 174.51 1sqy s VAL 369 N -3.25 0.62 0.30 0.95 1.01 -1.26 -1.23 120.40 117.54 1sqy s VAL 369 Ca 0.04 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1sqy s VAL 369 Cb 0.08 -0.57 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 1sqy s VAL 369 CO 0.71 0.20 0.10 0.28 0.00 0.00 0.00 175.10 176.39 1sqy s THR 370 N 0.22 0.71 0.27 3.92 -1.32 -0.21 -4.47 115.64 114.77 1sqy s THR 370 Ca -0.03 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 58.55 1sqy s THR 370 Cb -0.08 -2.64 -0.05 0.00 -1.51 0.00 0.00 72.50 68.22 1sqy s THR 370 CO 0.00 0.00 -0.16 0.00 -2.21 0.00 0.00 174.62 172.25 1sqy s SER 372 N -3.48 -0.10 0.13 0.00 0.15 -0.04 -4.85 113.70 105.52 1sqy s SER 372 Ca 0.29 -0.85 -0.25 0.00 0.70 0.00 0.00 55.95 55.84 1sqy s SER 372 Cb -0.02 0.56 0.07 0.00 -1.71 0.00 0.00 66.02 64.92 1sqy s SER 372 CO 0.13 -1.09 0.77 -0.94 1.20 0.00 0.00 173.24 173.32 1sqy s SER 373 N -2.99 -0.38 0.26 5.45 1.04 -1.26 -1.57 113.70 114.25 1sqy s SER 373 Ca 0.20 -0.18 -0.13 0.00 0.48 0.00 0.00 55.95 56.31 1sqy s SER 373 Cb -0.00 0.54 -0.00 0.00 0.10 0.00 0.00 66.02 66.66 1sqy s SER 373 CO 0.06 -0.92 0.50 0.00 0.98 0.00 0.00 173.24 173.86 1sqy s ALA 374 N -3.51 -0.27 -1.36 5.32 0.00 -1.01 -4.94 121.76 115.99 1sqy s ALA 374 Ca 0.06 -0.87 0.24 0.00 0.00 0.00 0.00 51.96 51.40 1sqy s ALA 374 Cb -0.02 1.05 0.40 0.00 0.00 0.00 0.00 23.12 24.55 1sqy s ALA 374 CO -0.06 -0.87 1.34 -1.13 0.00 0.00 0.00 175.76 175.05 1sqy n SER 375 N -0.47 0.93 -4.23 0.00 3.41 -1.26 -2.13 113.62 109.87 1sqy n SER 375 Ca -0.02 -0.73 -0.13 0.00 -0.26 0.00 0.00 58.87 57.73 1sqy n SER 375 Cb 0.62 0.37 -0.10 0.00 -0.26 0.00 0.00 64.21 64.83 1sqy n SER 375 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1sqy s THR 376 N -2.78 0.74 0.13 6.66 -4.23 -1.26 -4.48 115.64 110.42 1sqy s THR 376 Ca 0.16 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 58.57 1sqy s THR 376 Cb 0.18 -1.99 -0.06 0.00 1.34 0.00 0.00 72.50 71.97 1sqy s THR 376 CO 0.66 -0.60 1.45 0.74 -0.54 0.00 0.00 174.62 176.33 1sqy h THR 377 N 2.76 1.27 -0.87 3.99 2.02 -1.91 -2.63 112.91 117.55 1sqy h THR 377 Ca -0.36 -1.59 0.01 0.00 0.77 0.00 0.00 66.41 65.23 1sqy h THR 377 Cb 1.19 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 69.01 1sqy h THR 377 CO 0.63 0.53 0.57 -0.33 0.37 0.00 0.00 175.52 177.29 1sqy h GLU 378 N 0.72 1.15 -0.05 6.66 5.08 -1.98 -0.56 114.58 125.60 1sqy h GLU 378 Ca 0.05 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1sqy h GLU 378 Cb 1.01 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1sqy h GLU 378 CO 0.10 0.77 -0.26 -0.44 -1.00 0.00 0.00 179.01 178.18 1sqy h ASP 379 N 1.18 0.08 0.04 1.42 3.32 -1.94 -2.18 116.42 118.34 1sqy h ASP 379 Ca 0.32 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.19 1sqy h ASP 379 Cb -0.12 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1sqy h ASP 379 CO -0.07 0.34 -0.53 0.00 -1.72 0.00 0.00 179.24 177.27 1sqy h ILE 381 N 0.41 1.21 -0.40 0.00 2.04 -0.54 -2.36 117.51 117.87 1sqy h ILE 381 Ca 0.01 -0.45 -0.10 0.00 1.00 0.00 0.00 64.86 65.33 1sqy h ILE 381 Cb 1.06 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1sqy h ILE 381 CO 0.10 0.22 -0.14 0.00 0.00 0.00 0.00 178.15 178.32 1sqy h ALA 382 N 1.47 1.00 0.00 1.87 0.00 -1.27 -2.12 119.26 120.21 1sqy h ALA 382 Ca 0.27 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1sqy h ALA 382 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1sqy h ALA 382 CO -0.05 0.60 -0.29 -0.07 0.00 0.00 0.00 179.25 179.44 1sqy h LEU 383 N 0.66 0.00 -0.20 0.00 3.38 -1.21 -1.79 115.31 116.16 1sqy h LEU 383 Ca 0.11 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 1sqy h LEU 383 Cb 0.62 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1sqy h LEU 383 CO 0.04 0.29 -0.90 0.58 0.09 0.00 0.00 178.44 178.53 1sqy h VAL 384 N 0.00 1.64 -0.24 1.22 2.07 -1.13 -0.59 116.25 119.23 1sqy h VAL 384 Ca -0.00 -3.08 -0.14 0.00 0.82 0.00 0.00 66.70 64.30 1sqy h VAL 384 Cb 0.65 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 1sqy h VAL 384 CO 0.04 0.88 -0.43 -0.07 0.02 0.00 0.00 177.57 178.01 1sqy h LEU 385 N 0.00 0.65 -0.09 2.57 3.38 -0.88 -2.87 115.31 118.07 1sqy h LEU 385 Ca -0.01 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1sqy h LEU 385 Cb 1.60 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1sqy h LEU 385 CO 0.12 0.99 -0.02 0.29 0.09 0.00 0.00 178.44 179.91 1sqy n LYS 386 N -4.02 0.76 -0.96 1.13 5.02 -0.72 -3.43 118.16 115.94 1sqy n LYS 386 Ca -0.02 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1sqy n LYS 386 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 1sqy n LYS 386 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sqy n GLY 387 N 1.17 0.62 0.14 0.72 0.00 -0.94 -4.78 105.19 102.13 1sqy n GLY 387 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1sqy n GLY 387 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sqy h GLU 388 N 1.66 0.00 -4.57 1.61 5.08 -1.41 -3.45 114.58 113.50 1sqy h GLU 388 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1sqy h GLU 388 Cb 0.08 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.19 1sqy h GLU 388 CO 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 179.01 177.33 1sqy s ALA 389 N -3.19 0.96 -0.04 3.43 0.00 -0.73 -4.94 121.76 117.25 1sqy s ALA 389 Ca 0.08 -1.40 -0.00 0.00 0.00 0.00 0.00 51.96 50.64 1sqy s ALA 389 Cb 0.10 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 1sqy s ALA 389 CO 0.58 -0.32 -0.03 -0.25 0.00 0.00 0.00 175.76 175.73 1sqy n ASP 390 N -0.07 3.04 -4.13 0.00 8.00 0.21 -4.17 116.55 119.44 1sqy n ASP 390 Ca -0.10 -0.01 -0.10 0.00 0.71 0.00 0.00 54.79 55.29 1sqy n ASP 390 Cb 0.62 -0.07 -0.09 0.00 -0.02 0.00 0.00 41.12 41.56 1sqy n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sqy s ALA 391 N -2.07 0.76 -0.22 2.24 0.00 -1.02 -4.21 121.76 117.24 1sqy s ALA 391 Ca -0.05 -1.42 -0.36 0.00 0.00 0.00 0.00 51.96 50.13 1sqy s ALA 391 Cb 0.01 1.02 0.14 0.00 0.00 0.00 0.00 23.12 24.30 1sqy s ALA 391 CO 0.08 -0.56 1.26 0.00 0.00 0.00 0.00 175.76 176.54 1sqy s MET 392 N -4.06 0.22 -0.16 0.00 0.23 -1.23 -1.56 119.30 112.74 1sqy s MET 392 Ca 0.27 -0.08 -0.09 0.00 -1.03 0.00 0.00 55.69 54.76 1sqy s MET 392 Cb 0.06 0.10 -0.05 0.00 -1.53 0.00 0.00 34.83 33.42 1sqy s MET 392 CO 0.05 -0.10 0.15 0.45 -2.03 0.00 0.00 175.02 173.54 1sqy s SER 393 N -2.11 6.32 0.08 -1.18 0.15 -1.26 -2.08 113.70 113.62 1sqy s SER 393 Ca 0.10 0.38 0.05 0.00 0.70 0.00 0.00 55.95 57.18 1sqy s SER 393 Cb -0.01 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 62.18 1sqy s SER 393 CO -0.04 0.28 -0.13 -0.76 1.20 0.00 0.00 173.24 173.79 1sqy s LEU 394 N -0.29 2.30 0.66 3.45 1.43 0.82 -4.93 118.68 122.12 1sqy s LEU 394 Ca 0.12 -0.65 -0.15 0.00 -1.03 0.00 0.00 54.13 52.42 1sqy s LEU 394 Cb -0.12 -0.48 -0.00 0.00 0.03 0.00 0.00 46.19 45.62 1sqy s LEU 394 CO 0.02 -0.11 1.10 -0.62 0.23 0.00 0.00 176.35 176.97 1sqy s ASP 395 N -1.87 5.19 0.50 2.29 2.15 -1.26 -1.12 116.67 122.54 1sqy s ASP 395 Ca -0.01 1.95 0.24 0.00 0.43 0.00 0.00 52.55 55.17 1sqy s ASP 395 Cb -0.09 -2.54 1.32 0.00 -0.30 0.00 0.00 42.92 41.31 1sqy s ASP 395 CO 0.02 -1.58 1.93 1.23 -0.17 0.00 0.00 175.17 176.61 1sqy h GLY 396 N 0.01 0.24 1.73 2.66 0.00 -1.80 0.48 103.07 106.39 1sqy h GLY 396 Ca -0.46 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 1sqy h GLY 396 CO 0.54 0.01 -0.14 -1.33 0.00 0.00 0.00 176.54 175.63 1sqy h GLY 397 N 0.13 0.35 1.41 4.60 0.00 -1.90 -2.04 103.07 105.61 1sqy h GLY 397 Ca 0.35 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 1sqy h GLY 397 CO -0.05 0.21 -0.91 -0.97 0.00 0.00 0.00 176.54 174.83 1sqy h TYR 398 N 0.31 0.00 0.00 5.60 0.05 -1.08 -3.18 116.97 118.67 1sqy h TYR 398 Ca 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 1sqy h TYR 398 Cb 0.43 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.17 1sqy h TYR 398 CO 0.01 0.38 -0.09 0.28 -1.05 0.00 0.00 178.16 177.69 1sqy h VAL 399 N 0.00 0.75 0.36 -2.88 2.07 -0.64 0.17 116.25 116.08 1sqy h VAL 399 Ca -0.06 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1sqy h VAL 399 Cb 1.35 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1sqy h VAL 399 CO 0.04 0.09 -0.18 0.22 0.02 0.00 0.00 177.57 177.76 1sqy h TYR 400 N 0.00 -0.45 -0.52 1.57 3.20 -1.45 -1.65 116.97 117.67 1sqy h TYR 400 Ca -0.00 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.92 1sqy h TYR 400 Cb 0.20 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.57 1sqy h TYR 400 CO 0.00 -0.12 0.22 1.15 -1.64 0.00 0.00 178.16 177.77 1sqy h THR 401 N -0.92 0.87 -0.65 1.81 2.02 -1.53 -1.14 112.91 113.37 1sqy h THR 401 Ca -0.05 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.00 1sqy h THR 401 Cb 0.54 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1sqy h THR 401 CO 0.08 0.08 0.43 0.00 0.37 0.00 0.00 175.52 176.48 1sqy h ALA 402 N 1.32 1.56 -0.08 6.16 0.00 -1.00 -2.51 119.26 124.72 1sqy h ALA 402 Ca 0.24 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1sqy h ALA 402 Cb 0.23 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1sqy h ALA 402 CO -0.22 0.40 -0.05 0.78 0.00 0.00 0.00 179.25 180.16 1sqy h GLY 403 N 0.85 0.20 2.00 0.00 0.00 -0.50 -0.03 103.07 105.59 1sqy h GLY 403 Ca 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1sqy h GLY 403 CO -0.06 0.17 0.00 0.28 0.00 0.00 0.00 176.54 176.93 1sqy n LYS 404 N -4.73 0.14 -0.24 4.80 4.76 -0.51 0.70 118.16 123.08 1sqy n LYS 404 Ca -0.07 0.62 0.11 0.00 -2.87 0.00 0.00 58.31 56.10 1sqy n LYS 404 Cb 0.28 -1.94 0.24 0.00 -1.84 0.00 0.00 35.03 31.77 1sqy n LYS 404 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sqy n GLY 406 N 1.48 0.71 3.92 0.00 0.00 0.22 -5.06 105.19 106.46 1sqy n GLY 406 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 1sqy n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqy s LEU 407 N 0.00 3.18 0.06 0.99 1.43 -0.07 -4.69 118.68 119.57 1sqy s LEU 407 Ca 0.00 0.62 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 1sqy s LEU 407 Cb 0.00 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 1sqy s LEU 407 CO 0.00 -1.15 -0.06 0.68 0.23 0.00 0.00 176.35 176.05 1sqy s VAL 408 N -3.01 0.46 0.30 -1.59 -7.23 -0.57 -4.19 120.40 104.57 1sqy s VAL 408 Ca 0.55 -1.44 -0.29 0.00 -1.81 0.00 0.00 61.98 58.99 1sqy s VAL 408 Cb -0.11 -1.04 -0.10 0.00 0.56 0.00 0.00 36.38 35.70 1sqy s VAL 408 CO 0.44 -0.66 1.13 -2.84 -0.31 0.00 0.00 175.10 172.87 1sqy s PRO 409 N -2.66 4.55 -0.06 4.82 0.02 -1.26 -1.95 135.00 138.47 1sqy s PRO 409 Ca -0.01 1.86 -0.02 0.00 0.02 0.00 0.00 61.00 62.85 1sqy s PRO 409 Cb -0.02 -3.13 -0.03 0.00 0.02 0.00 0.00 34.50 31.35 1sqy s PRO 409 CO -0.03 0.11 -0.07 0.28 -0.33 0.00 0.00 177.00 176.96 1sqy n VAL 410 N 1.03 0.30 -3.92 3.83 0.31 0.27 -4.85 118.33 115.30 1sqy n VAL 410 Ca -0.01 -0.08 -0.09 0.00 -0.01 0.00 0.00 64.34 64.15 1sqy n VAL 410 Cb 0.44 -1.45 -0.08 0.00 -0.91 0.00 0.00 33.84 31.84 1sqy n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1sqy s LEU 411 N -6.16 1.72 0.24 7.52 1.43 -1.25 -4.46 118.68 117.72 1sqy s LEU 411 Ca -0.08 -0.67 0.10 0.00 -1.03 0.00 0.00 54.13 52.46 1sqy s LEU 411 Cb 0.03 0.76 -0.04 0.00 0.03 0.00 0.00 46.19 46.96 1sqy s LEU 411 CO 0.10 -0.63 -0.09 0.00 0.23 0.00 0.00 176.35 175.95 1sqy s ALA 412 N -3.45 2.96 -0.22 4.21 0.00 -0.05 -1.02 121.76 124.19 1sqy s ALA 412 Ca 0.02 -1.65 -0.29 0.00 0.00 0.00 0.00 51.96 50.04 1sqy s ALA 412 Cb 0.04 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.55 1sqy s ALA 412 CO -0.09 0.34 1.04 -1.21 0.00 0.00 0.00 175.76 175.84 1sqy s GLU 413 N -3.30 4.27 -0.16 0.00 2.02 -0.40 -0.13 118.70 120.99 1sqy s GLU 413 Ca 0.28 1.36 -0.14 0.00 0.02 0.00 0.00 54.97 56.50 1sqy s GLU 413 Cb -0.07 -3.64 -0.05 0.00 0.10 0.00 0.00 34.13 30.48 1sqy s GLU 413 CO 0.17 -0.62 0.29 1.21 0.02 0.00 0.00 175.26 176.33 1sqy s ASN 414 N 1.20 6.44 0.27 -0.19 3.84 0.05 -4.57 114.94 121.98 1sqy s ASN 414 Ca 0.44 0.51 0.07 0.00 0.21 0.00 0.00 52.86 54.09 1sqy s ASN 414 Cb -0.15 -2.18 -0.03 0.00 -0.55 0.00 0.00 41.25 38.34 1sqy s ASN 414 CO 0.07 0.12 0.26 -0.31 -2.79 0.00 0.00 177.10 174.44 1sqy s TYR 415 N 0.38 3.14 -0.90 0.43 2.02 -1.26 0.16 117.35 121.32 1sqy s TYR 415 Ca 0.16 -0.13 -0.26 0.00 -0.37 0.00 0.00 57.07 56.47 1sqy s TYR 415 Cb -0.13 -1.53 -0.21 0.00 -0.40 0.00 0.00 41.96 39.69 1sqy s TYR 415 CO 0.04 0.42 2.54 1.17 -1.57 0.00 0.00 175.55 178.15 1sqy n LYS 416 N -1.28 0.21 -0.72 -0.62 4.81 -1.25 -4.79 118.16 114.51 1sqy n LYS 416 Ca -0.07 -0.04 -0.33 0.00 -0.87 0.00 0.00 58.31 57.00 1sqy n LYS 416 Cb 0.58 -1.87 0.15 0.00 0.02 0.00 0.00 35.03 33.92 1sqy n LYS 416 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1sqy n SER 417 N 11.01 -2.36 -4.56 3.14 3.41 -1.26 -4.88 113.62 118.12 1sqy n SER 417 Ca 0.60 0.02 -0.37 0.00 -0.26 0.00 0.00 58.87 58.86 1sqy n SER 417 Cb 0.16 -1.02 0.06 0.00 -0.26 0.00 0.00 64.21 63.15 1sqy n SER 417 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqy n GLN 418 N -1.81 0.67 -0.16 4.33 1.13 -1.26 -4.47 117.38 115.81 1sqy n GLN 418 Ca 0.02 0.27 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 1sqy n GLN 418 Cb 0.60 -2.02 0.00 0.00 0.11 0.00 0.00 30.24 28.93 1sqy n GLN 418 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1sqy n GLN 419 N -0.87 0.00 0.00 -1.09 3.00 -1.26 -3.52 117.38 113.64 1sqy n GLN 419 Ca 0.13 -0.03 0.14 0.00 -0.01 0.00 0.00 57.00 57.23 1sqy n GLN 419 Cb 0.48 -0.85 0.62 0.00 0.00 0.00 0.00 30.24 30.49 1sqy n GLN 419 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1sqy n SER 420 N 2.19 0.67 0.00 1.08 7.64 -1.26 -4.98 113.62 118.95 1sqy n SER 420 Ca 0.00 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 59.01 1sqy n SER 420 Cb 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1sqy n SER 420 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1sqy n SER 421 N -0.69 0.00 0.00 6.43 7.64 -1.23 -5.04 113.62 120.73 1sqy n SER 421 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1sqy n SER 421 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1sqy n SER 421 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1sqy n ASP 422 N 0.00 0.00 -4.06 6.43 8.00 -1.26 -5.01 116.55 120.66 1sqy n ASP 422 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 1sqy n ASP 422 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 1sqy n ASP 422 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1sqy n PRO 423 N -1.13 0.01 -1.71 -0.24 -0.02 -1.26 -4.75 135.00 125.89 1sqy n PRO 423 Ca 0.00 -0.17 -0.58 0.00 -2.02 0.00 0.00 63.50 60.72 1sqy n PRO 423 Cb 0.00 -1.30 -0.07 0.00 -0.02 0.00 0.00 33.50 32.11 1sqy n PRO 423 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1sqy n ASP 424 N 6.04 2.29 -0.25 2.55 -0.08 -1.26 -4.89 116.55 120.94 1sqy n ASP 424 Ca 0.04 1.08 -0.05 0.00 -1.51 0.00 0.00 54.79 54.36 1sqy n ASP 424 Cb 0.49 -1.12 0.06 0.00 2.34 0.00 0.00 41.12 42.89 1sqy n ASP 424 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1sqy h PRO 425 N 7.02 0.91 -1.67 -0.67 0.11 -2.04 -2.99 132.00 132.67 1sqy h PRO 425 Ca -0.46 -0.05 -0.71 0.00 0.11 0.00 0.00 66.00 64.89 1sqy h PRO 425 Cb 1.32 -0.20 -0.27 0.00 0.11 0.00 0.00 31.00 31.96 1sqy h PRO 425 CO 0.96 0.60 0.94 0.09 -0.21 0.00 0.00 178.00 180.38 1sqy n ASN 426 N -4.61 7.48 -0.24 -2.05 4.13 -1.26 -4.64 115.26 114.07 1sqy n ASN 426 Ca 0.07 -3.75 -0.05 0.00 1.68 0.00 0.00 54.58 52.53 1sqy n ASN 426 Cb 0.03 -1.05 0.06 0.00 -1.54 0.00 0.00 39.78 37.28 1sqy n ASN 426 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sqy h VAL 428 N 0.89 0.00 -0.01 0.00 2.07 -1.83 -2.27 116.25 115.10 1sqy h VAL 428 Ca 0.26 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.75 1sqy h VAL 428 Cb -0.06 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1sqy h VAL 428 CO -0.07 0.00 -0.07 0.47 0.02 0.00 0.00 177.57 177.92 1sqy n ASP 429 N -2.68 1.20 -4.66 0.57 8.00 -0.88 -2.07 116.55 116.02 1sqy n ASP 429 Ca -0.02 -1.10 -0.43 0.00 0.71 0.00 0.00 54.79 53.95 1sqy n ASP 429 Cb 0.07 0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 1sqy n ASP 429 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1sqy s ARG 430 N -0.78 4.21 0.44 -1.24 3.52 -0.78 -4.95 118.95 119.37 1sqy s ARG 430 Ca 0.06 1.69 -0.24 0.00 -0.13 0.00 0.00 55.73 57.11 1sqy s ARG 430 Cb 0.05 -3.79 -0.10 0.00 -1.56 0.00 0.00 34.95 29.55 1sqy s ARG 430 CO 0.12 -0.74 1.05 -2.30 -0.81 0.00 0.00 175.30 172.61 1sqy n PRO 431 N 6.70 1.40 -1.88 5.12 -0.02 -1.26 -4.89 135.00 140.17 1sqy n PRO 431 Ca 0.14 0.51 -0.33 0.00 -2.02 0.00 0.00 63.50 61.80 1sqy n PRO 431 Cb 0.45 -2.12 0.03 0.00 -0.02 0.00 0.00 33.50 31.84 1sqy n PRO 431 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1sqy s VAL 432 N -1.29 3.52 0.00 -1.45 -7.23 -1.26 -4.98 120.40 107.71 1sqy s VAL 432 Ca 0.64 0.71 0.00 0.00 -1.81 0.00 0.00 61.98 61.52 1sqy s VAL 432 Cb -0.53 -3.24 0.00 0.00 0.56 0.00 0.00 36.38 33.17 1sqy s VAL 432 CO 0.56 -0.44 0.59 -0.62 -0.31 0.00 0.00 175.10 174.88 1sqy n GLU 433 N -2.26 -0.27 -0.67 4.82 1.02 -1.26 -5.08 120.64 116.93 1sqy n GLU 433 Ca 0.10 -0.68 0.09 0.00 -0.02 0.00 0.00 57.16 56.65 1sqy n GLU 433 Cb 0.52 -1.00 -0.03 0.00 -0.02 0.00 0.00 31.44 30.92 1sqy n GLU 433 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sqy n GLY 434 N -0.09 -1.77 3.47 0.62 0.00 -1.26 -4.98 105.19 101.18 1sqy n GLY 434 Ca 0.00 -1.35 -0.24 0.00 0.00 0.00 0.00 46.02 44.43 1sqy n GLY 434 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1sqy s TYR 435 N -1.87 1.77 -0.23 1.61 1.13 0.23 -4.88 117.35 115.12 1sqy s TYR 435 Ca 0.00 -1.30 -0.07 0.00 -1.41 0.00 0.00 57.07 54.30 1sqy s TYR 435 Cb 0.00 -1.09 -0.03 0.00 -1.10 0.00 0.00 41.96 39.74 1sqy s TYR 435 CO 0.00 -0.34 0.05 -0.51 -2.51 0.00 0.00 175.55 172.24 1sqy s LEU 436 N -3.55 3.41 -0.08 -3.49 1.43 -1.26 -0.46 118.68 114.68 1sqy s LEU 436 Ca 0.28 -0.18 -0.26 0.00 -1.03 0.00 0.00 54.13 52.93 1sqy s LEU 436 Cb 0.03 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1sqy s LEU 436 CO 0.16 0.01 0.85 0.00 0.23 0.00 0.00 176.35 177.60 1sqy s ALA 437 N 1.35 3.35 0.26 4.21 0.00 -0.80 -2.82 121.76 127.32 1sqy s ALA 437 Ca 0.05 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.28 1sqy s ALA 437 Cb -0.15 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 1sqy s ALA 437 CO 0.03 -0.36 0.04 0.14 0.00 0.00 0.00 175.76 175.61 1sqy s VAL 438 N 1.40 0.90 -0.20 0.00 -7.23 0.22 -0.80 120.40 114.70 1sqy s VAL 438 Ca 0.43 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.56 1sqy s VAL 438 Cb -0.18 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 34.22 1sqy s VAL 438 CO 0.19 -0.15 -0.09 0.00 -0.31 0.00 0.00 175.10 174.74 1sqy s ALA 439 N -3.51 2.69 -0.08 1.32 0.00 -1.26 -2.59 121.76 118.32 1sqy s ALA 439 Ca 0.33 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1sqy s ALA 439 Cb 0.07 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 1sqy s ALA 439 CO 0.12 -0.33 -0.09 0.08 0.00 0.00 0.00 175.76 175.54 1sqy s VAL 440 N 1.29 3.46 0.13 0.00 1.01 0.65 -2.32 120.40 124.62 1sqy s VAL 440 Ca 0.04 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1sqy s VAL 440 Cb -0.14 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1sqy s VAL 440 CO -0.04 0.58 0.05 0.68 0.00 0.00 0.00 175.10 176.37 1sqy s VAL 441 N -0.54 0.11 0.28 2.92 -7.23 -0.36 -0.64 120.40 114.93 1sqy s VAL 441 Ca 0.08 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.05 1sqy s VAL 441 Cb -0.12 -2.01 -0.09 0.00 0.56 0.00 0.00 36.38 34.71 1sqy s VAL 441 CO 0.02 -0.49 1.08 -0.13 -0.31 0.00 0.00 175.10 175.27 1sqy s ARG 442 N -4.04 4.66 0.43 4.82 0.52 -1.26 -1.07 118.95 123.01 1sqy s ARG 442 Ca 0.23 1.77 0.09 0.00 -0.52 0.00 0.00 55.73 57.30 1sqy s ARG 442 Cb 0.07 -3.20 0.93 0.00 0.52 0.00 0.00 34.95 33.28 1sqy s ARG 442 CO 0.01 0.24 2.07 -0.09 0.02 0.00 0.00 175.30 177.55 1sqy h ARG 443 N 3.86 0.45 -0.44 3.54 2.43 -1.22 -2.90 114.38 120.11 1sqy h ARG 443 Ca -0.47 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.63 1sqy h ARG 443 Cb 1.21 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 1sqy h ARG 443 CO 0.67 0.30 0.08 0.66 -1.51 0.00 0.00 179.97 180.17 1sqy h SER 444 N 0.47 0.70 0.00 -3.80 4.64 -1.92 -3.34 113.55 110.29 1sqy h SER 444 Ca 0.14 -0.26 -0.57 0.00 -0.47 0.00 0.00 61.79 60.62 1sqy h SER 444 Cb -0.02 -0.18 0.14 0.00 -0.31 0.00 0.00 62.40 62.02 1sqy h SER 444 CO -0.03 0.78 1.44 0.47 -0.87 0.00 0.00 176.83 178.62 1sqy n ASP 445 N -4.48 1.11 0.27 4.97 8.00 -1.09 -4.64 116.55 120.68 1sqy n ASP 445 Ca 0.00 -2.50 0.11 0.00 0.71 0.00 0.00 54.79 53.11 1sqy n ASP 445 Cb 0.24 -0.56 0.73 0.00 -0.02 0.00 0.00 41.12 41.51 1sqy n ASP 445 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1sqy h THR 446 N 4.91 0.79 0.00 -3.53 1.35 -1.83 -2.79 112.91 111.81 1sqy h THR 446 Ca 0.27 -0.21 -0.10 0.00 -0.55 0.00 0.00 66.41 65.82 1sqy h THR 446 Cb 0.67 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1sqy h THR 446 CO 2.00 0.05 -0.48 -1.28 -0.25 0.00 0.00 175.52 175.57 1sqy h SER 447 N 0.00 0.00 -2.56 5.36 0.87 -1.94 -3.45 113.55 111.82 1sqy h SER 447 Ca -0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.02 1sqy h SER 447 Cb 0.12 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.09 1sqy h SER 447 CO 0.01 0.48 1.10 -0.22 -0.53 0.00 0.00 176.83 177.67 1sqy s LEU 448 N -6.97 4.38 0.24 2.23 2.96 -1.06 -4.95 118.68 115.52 1sqy s LEU 448 Ca 0.01 2.52 0.01 0.00 -0.22 0.00 0.00 54.13 56.44 1sqy s LEU 448 Cb 0.10 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 1sqy s LEU 448 CO 0.72 -0.96 0.20 0.42 -1.32 0.00 0.00 176.35 175.41 1sqy s THR 449 N 3.46 0.00 0.33 3.68 -4.23 -1.26 -5.00 115.64 112.63 1sqy s THR 449 Ca 0.79 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.36 1sqy s THR 449 Cb -0.40 -2.49 0.27 0.00 1.34 0.00 0.00 72.50 71.22 1sqy s THR 449 CO 0.35 0.00 1.98 -0.25 -0.54 0.00 0.00 174.62 176.16 1sqy h TRP 450 N 2.45 0.88 0.00 3.99 2.91 -1.82 -1.38 115.95 122.98 1sqy h TRP 450 Ca -0.32 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.72 1sqy h TRP 450 Cb 1.24 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 29.60 1sqy h TRP 450 CO 0.78 0.53 0.00 -0.91 -1.03 0.00 0.00 178.44 177.81 1sqy h ASN 451 N 0.93 0.00 -0.01 2.65 2.35 -1.91 -3.04 115.58 116.55 1sqy h ASN 451 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1sqy h ASN 451 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1sqy h ASN 451 CO -0.07 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.17 1sqy n SER 452 N -3.08 2.38 0.12 5.81 3.41 -0.59 -4.67 113.62 116.99 1sqy n SER 452 Ca 0.00 -3.03 -0.02 0.00 -0.26 0.00 0.00 58.87 55.56 1sqy n SER 452 Cb 0.27 -0.41 0.06 0.00 -0.26 0.00 0.00 64.21 63.87 1sqy n SER 452 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1sqy h VAL 453 N 0.05 1.39 -3.35 -3.33 3.04 -1.23 -3.44 116.25 109.37 1sqy h VAL 453 Ca 0.00 -2.55 -0.53 0.00 -1.01 0.00 0.00 66.70 62.61 1sqy h VAL 453 Cb 0.99 2.42 0.08 0.00 -2.01 0.00 0.00 31.29 32.76 1sqy h VAL 453 CO 0.01 0.70 0.85 -1.59 -1.01 0.00 0.00 177.57 176.52 1sqy s LYS 454 N -3.18 4.17 0.00 4.17 -2.85 -1.26 -2.52 119.74 118.26 1sqy s LYS 454 Ca 0.00 2.49 0.00 0.00 -1.00 0.00 0.00 55.97 57.47 1sqy s LYS 454 Cb 0.11 -3.05 0.00 0.00 -2.06 0.00 0.00 37.83 32.83 1sqy s LYS 454 CO 0.77 -0.57 0.00 0.41 0.10 0.00 0.00 175.35 176.06 1sqy n GLY 455 N 2.15 3.28 2.19 0.59 0.00 -0.81 -5.02 105.19 107.56 1sqy n GLY 455 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1sqy n GLY 455 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sqy n LYS 456 N -1.22 -0.65 -3.33 1.61 4.01 -1.05 -2.91 118.16 114.61 1sqy n LYS 456 Ca 0.00 -1.20 -0.38 0.00 -0.51 0.00 0.00 58.31 56.22 1sqy n LYS 456 Cb 0.00 -0.74 -0.06 0.00 -0.51 0.00 0.00 35.03 33.72 1sqy n LYS 456 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1sqy s LYS 457 N -4.58 4.19 0.13 1.97 1.02 -1.26 -2.28 119.74 118.93 1sqy s LYS 457 Ca 0.42 0.56 0.10 0.00 0.02 0.00 0.00 55.97 57.08 1sqy s LYS 457 Cb -0.01 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.94 1sqy s LYS 457 CO 0.29 0.45 -0.25 -1.54 -0.92 0.00 0.00 175.35 173.39 1sqy s SER 458 N -0.38 3.09 -0.14 2.83 1.04 -0.37 -0.37 113.70 119.41 1sqy s SER 458 Ca 0.27 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 55.97 1sqy s SER 458 Cb -0.17 -0.20 0.01 0.00 0.10 0.00 0.00 66.02 65.76 1sqy s SER 458 CO 0.14 0.13 -0.21 0.00 0.98 0.00 0.00 173.24 174.29 1sqy s HIS 460 N 0.92 1.82 0.11 0.00 3.76 -0.21 -1.62 115.29 120.07 1sqy s HIS 460 Ca -0.05 -0.42 -0.19 0.00 -0.15 0.00 0.00 55.06 54.25 1sqy s HIS 460 Cb -0.15 -1.00 -0.06 0.00 1.11 0.00 0.00 32.58 32.48 1sqy s HIS 460 CO -0.04 0.22 1.70 1.79 -0.85 0.00 0.00 174.74 177.56 1sqy h THR 461 N 4.04 1.13 0.00 1.30 1.35 -1.73 -3.41 112.91 115.59 1sqy h THR 461 Ca -0.46 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1sqy h THR 461 Cb 1.18 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1sqy h THR 461 CO 0.40 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 175.79 1sqy n ALA 462 N -2.22 0.00 -1.76 6.62 0.00 -1.26 -1.19 120.51 120.70 1sqy n ALA 462 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.03 1sqy n ALA 462 Cb 0.09 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.54 1sqy n ALA 462 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1sqy s VAL 463 N -2.00 2.65 0.00 0.00 1.01 -0.63 -3.17 120.40 118.27 1sqy s VAL 463 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1sqy s VAL 463 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1sqy s VAL 463 CO 0.00 0.02 0.00 0.47 0.00 0.00 0.00 175.10 175.59 1sqy n ASP 464 N -0.43 -3.60 -4.89 3.32 8.00 -1.26 -5.00 116.55 112.70 1sqy n ASP 464 Ca 0.07 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.26 1sqy n ASP 464 Cb 0.46 -1.88 -0.05 0.00 -0.02 0.00 0.00 41.12 39.63 1sqy n ASP 464 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1sqy s ARG 465 N -0.92 3.70 0.00 -1.24 0.52 -1.19 -4.09 118.95 115.73 1sqy s ARG 465 Ca 0.00 0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.29 1sqy s ARG 465 Cb 0.00 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.76 1sqy s ARG 465 CO 0.00 0.34 0.70 2.41 0.02 0.00 0.00 175.30 178.77 1sqy n THR 466 N -0.28 0.00 -0.12 0.02 -1.04 -1.26 -1.19 114.28 110.41 1sqy n THR 466 Ca -0.01 1.20 -0.03 0.00 -2.04 0.00 0.00 64.05 63.17 1sqy n THR 466 Cb 0.53 -1.98 0.19 0.00 -1.82 0.00 0.00 70.33 67.25 1sqy n THR 466 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sqy h ALA 467 N -1.83 1.21 0.00 2.41 0.00 -1.91 -1.54 119.26 117.60 1sqy h ALA 467 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1sqy h ALA 467 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1sqy h ALA 467 CO 0.00 0.54 0.00 0.78 0.00 0.00 0.00 179.25 180.57 1sqy h GLY 468 N 0.96 0.00 0.00 0.00 0.00 -1.64 -3.40 103.07 99.00 1sqy h GLY 468 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1sqy h GLY 468 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.41 1sqy n TRP 469 N -2.94 -0.53 -0.28 5.60 -0.00 -0.60 -4.39 117.44 114.31 1sqy n TRP 469 Ca 0.04 0.01 0.09 0.00 -0.00 0.00 0.00 57.50 57.64 1sqy n TRP 469 Cb 0.49 0.51 0.23 0.00 -0.00 0.00 0.00 31.31 32.54 1sqy n TRP 469 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1sqy h ASN 470 N 0.00 -0.10 0.05 5.87 2.35 -0.99 -1.56 115.58 121.20 1sqy h ASN 470 Ca 0.00 0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1sqy h ASN 470 Cb 0.00 0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1sqy h ASN 470 CO 0.00 -0.14 -0.02 0.40 -1.65 0.00 0.00 177.43 176.02 1sqy h ILE 471 N 0.19 1.31 0.84 2.81 2.04 -1.52 -2.17 117.51 121.02 1sqy h ILE 471 Ca 0.49 -1.53 -0.04 0.00 1.00 0.00 0.00 64.86 64.78 1sqy h ILE 471 Cb 0.92 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1sqy h ILE 471 CO -0.63 0.37 -0.48 -0.65 0.00 0.00 0.00 178.15 176.75 1sqy h PRO 472 N -0.78 -1.18 -0.77 2.37 0.11 -1.72 -2.39 132.00 127.63 1sqy h PRO 472 Ca -0.01 0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1sqy h PRO 472 Cb 0.65 0.27 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 1sqy h PRO 472 CO 0.01 -0.79 0.50 0.52 -0.21 0.00 0.00 178.00 178.03 1sqy h MET 473 N -1.23 1.02 -0.93 1.05 2.86 -1.46 -1.70 114.93 114.54 1sqy h MET 473 Ca -0.11 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1sqy h MET 473 Cb 0.97 -0.23 -0.05 0.00 0.06 0.00 0.00 31.60 32.36 1sqy h MET 473 CO 0.14 0.69 0.58 0.78 1.06 0.00 0.00 176.91 180.15 1sqy h GLY 474 N 1.06 1.34 0.91 8.32 0.00 -1.34 0.24 103.07 113.59 1sqy h GLY 474 Ca 0.28 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 1sqy h GLY 474 CO -0.06 0.52 -0.02 1.41 0.00 0.00 0.00 176.54 178.40 1sqy h LEU 475 N 1.28 0.60 -0.23 3.11 3.38 -0.79 -2.15 115.31 120.50 1sqy h LEU 475 Ca 0.34 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1sqy h LEU 475 Cb -0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1sqy h LEU 475 CO -0.07 0.77 0.08 -0.07 0.09 0.00 0.00 178.44 179.25 1sqy h LEU 476 N 0.40 0.32 -1.28 1.67 3.38 -0.95 -2.91 115.31 115.94 1sqy h LEU 476 Ca 0.09 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 57.95 1sqy h LEU 476 Cb 0.48 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1sqy h LEU 476 CO 0.02 0.42 0.53 0.15 0.09 0.00 0.00 178.44 179.65 1sqy h PHE 477 N 0.21 0.88 0.00 1.13 3.57 -0.53 -0.67 116.94 121.53 1sqy h PHE 477 Ca 0.07 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1sqy h PHE 477 Cb 0.21 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 1sqy h PHE 477 CO -0.00 0.45 -0.06 -0.97 -2.23 0.00 0.00 178.31 175.50 1sqy h ASN 478 N 0.85 0.00 0.00 0.41 -1.24 -1.18 -2.23 115.58 112.19 1sqy h ASN 478 Ca 0.35 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.36 1sqy h ASN 478 Cb 0.28 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.33 1sqy h ASN 478 CO -0.13 0.06 0.00 0.00 -1.29 0.00 0.00 177.43 176.07 1sqy n GLN 479 N -3.39 0.00 0.23 6.67 6.02 -0.29 -4.72 117.38 121.91 1sqy n GLN 479 Ca -0.02 0.02 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 1sqy n GLN 479 Cb 0.20 -0.44 -0.08 0.00 1.02 0.00 0.00 30.24 30.94 1sqy n GLN 479 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1sqy h THR 480 N 0.00 0.00 0.00 5.09 1.35 -1.56 -3.47 112.91 114.32 1sqy h THR 480 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1sqy h THR 480 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1sqy h THR 480 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1sqy n GLY 481 N -1.47 0.80 3.77 5.82 0.00 -0.84 -5.09 105.19 108.19 1sqy n GLY 481 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 1sqy n GLY 481 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sqy s SER 482 N -1.94 7.44 0.00 1.61 0.15 -1.26 -4.94 113.70 114.77 1sqy s SER 482 Ca 0.00 1.81 0.24 0.00 0.70 0.00 0.00 55.95 58.70 1sqy s SER 482 Cb 0.00 -2.56 0.29 0.00 -1.71 0.00 0.00 66.02 62.04 1sqy s SER 482 CO 0.00 0.08 1.30 0.00 1.20 0.00 0.00 173.24 175.82 1sqy n LYS 484 N 0.81 3.10 0.31 0.00 3.00 -1.26 -4.77 118.16 119.35 1sqy n LYS 484 Ca 0.14 -3.04 0.18 0.00 -0.00 0.00 0.00 58.31 55.59 1sqy n LYS 484 Cb 0.53 -3.31 1.02 0.00 0.00 0.00 0.00 35.03 33.27 1sqy n LYS 484 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 1sqy h PHE 485 N 6.63 0.00 -0.15 5.64 0.04 -2.00 -2.47 116.94 124.63 1sqy h PHE 485 Ca 0.49 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.26 1sqy h PHE 485 Cb 0.74 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1sqy h PHE 485 CO 1.40 0.01 0.00 -0.40 -0.60 0.00 0.00 178.31 178.72 1sqy n ASP 486 N -3.51 0.93 -0.06 2.17 5.75 -1.26 -3.05 116.55 117.52 1sqy n ASP 486 Ca -0.03 -2.02 0.01 0.00 -0.01 0.00 0.00 54.79 52.75 1sqy n ASP 486 Cb 0.10 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 1sqy n ASP 486 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1sqy n GLU 487 N -0.04 2.46 -0.01 0.11 1.02 -0.93 -4.60 120.64 118.66 1sqy n GLU 487 Ca 0.05 -0.36 -0.01 0.00 -0.02 0.00 0.00 57.16 56.81 1sqy n GLU 487 Cb 0.16 -0.86 0.26 0.00 -0.02 0.00 0.00 31.44 30.98 1sqy n GLU 487 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1sqy h TYR 488 N 0.30 0.57 -3.84 -0.32 -1.99 -1.66 -3.44 116.97 106.59 1sqy h TYR 488 Ca 0.00 -0.08 -0.34 0.00 2.00 0.00 0.00 58.73 60.32 1sqy h TYR 488 Cb 0.09 -0.16 -0.20 0.00 2.00 0.00 0.00 36.73 38.47 1sqy h TYR 488 CO 0.00 0.60 -0.75 -0.06 -0.00 0.00 0.00 178.16 177.96 1sqy s PHE 489 N -4.84 1.03 0.13 4.88 0.08 -1.26 -1.92 117.98 116.08 1sqy s PHE 489 Ca -0.08 -0.56 -0.16 0.00 0.12 0.00 0.00 56.93 56.25 1sqy s PHE 489 Cb 0.15 -0.58 -0.00 0.00 -0.57 0.00 0.00 43.02 42.02 1sqy s PHE 489 CO 0.78 0.00 1.68 0.66 -0.10 0.00 0.00 175.22 178.24 1sqy h SER 490 N 3.97 0.56 -5.01 1.36 4.64 -1.33 -3.46 113.55 114.28 1sqy h SER 490 Ca -0.38 -0.17 -0.09 0.00 -0.47 0.00 0.00 61.79 60.68 1sqy h SER 490 Cb 1.19 -0.14 -0.19 0.00 -0.31 0.00 0.00 62.40 62.95 1sqy h SER 490 CO 0.47 0.58 -0.15 -1.10 -0.87 0.00 0.00 176.83 175.75 1sqy s GLN 491 N -5.54 0.82 0.32 4.77 -0.21 -1.26 -4.93 119.66 113.62 1sqy s GLN 491 Ca -0.13 -0.21 -0.13 0.00 0.02 0.00 0.00 55.36 54.90 1sqy s GLN 491 Cb 0.10 0.37 0.02 0.00 1.00 0.00 0.00 33.01 34.50 1sqy s GLN 491 CO 0.75 -0.25 0.63 -1.12 -2.12 0.00 0.00 175.29 173.18 1sqy s SER 492 N -1.59 0.10 -0.25 5.90 0.01 -0.43 -1.23 113.70 116.22 1sqy s SER 492 Ca -0.10 -1.03 -0.00 0.00 1.31 0.00 0.00 55.95 56.13 1sqy s SER 492 Cb -0.03 0.72 0.07 0.00 0.21 0.00 0.00 66.02 66.99 1sqy s SER 492 CO 0.02 -1.39 0.00 0.00 0.41 0.00 0.00 173.24 172.29 1sqy s ALA 494 N 1.50 2.09 0.24 0.00 0.00 0.11 -1.05 121.76 124.65 1sqy s ALA 494 Ca -0.01 -2.76 -0.29 0.00 0.00 0.00 0.00 51.96 48.90 1sqy s ALA 494 Cb -0.18 -1.79 -0.15 0.00 0.00 0.00 0.00 23.12 21.00 1sqy s ALA 494 CO -0.10 -2.03 0.96 -2.30 0.00 0.00 0.00 175.76 172.29 1sqy n PRO 495 N 2.89 1.06 -0.05 0.00 -0.02 -1.26 -2.36 135.00 135.26 1sqy n PRO 495 Ca 0.21 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1sqy n PRO 495 Cb 0.41 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1sqy n PRO 495 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sqy n GLY 496 N 1.55 0.43 3.94 -1.23 0.00 0.49 -1.60 105.19 108.77 1sqy n GLY 496 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1sqy n GLY 496 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqy s ARG 497 N -0.93 1.99 -0.14 1.61 1.81 -1.00 -4.93 118.95 117.36 1sqy s ARG 497 Ca 0.00 -0.39 -0.29 0.00 -1.72 0.00 0.00 55.73 53.32 1sqy s ARG 497 Cb 0.00 -2.17 -0.04 0.00 -0.45 0.00 0.00 34.95 32.29 1sqy s ARG 497 CO 0.00 -1.36 1.66 0.34 -0.68 0.00 0.00 175.30 175.26 1sqy s ASP 498 N -4.58 6.47 0.27 0.23 2.15 -1.26 -4.90 116.67 115.05 1sqy s ASP 498 Ca 0.62 1.93 -0.01 0.00 0.43 0.00 0.00 52.55 55.52 1sqy s ASP 498 Cb -0.09 -2.53 0.59 0.00 -0.30 0.00 0.00 42.92 40.59 1sqy s ASP 498 CO 0.45 -1.13 1.69 -0.65 -0.17 0.00 0.00 175.17 175.36 1sqy h PRO 499 N 10.37 0.32 0.00 4.34 0.11 -1.95 0.52 132.00 145.71 1sqy h PRO 499 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1sqy h PRO 499 Cb 1.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1sqy h PRO 499 CO 0.98 0.21 0.00 2.89 -0.21 0.00 0.00 178.00 181.87 1sqy n ARG 500 N -5.11 0.84 -2.99 1.05 1.85 -1.26 -4.68 116.66 106.36 1sqy n ARG 500 Ca 0.18 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.80 1sqy n ARG 500 Cb 0.55 -1.12 0.01 0.00 -1.05 0.00 0.00 32.46 30.85 1sqy n ARG 500 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1sqy s SER 501 N -1.37 5.89 0.49 2.89 0.15 0.18 -4.99 113.70 116.94 1sqy s SER 501 Ca 0.10 0.34 0.27 0.00 0.70 0.00 0.00 55.95 57.36 1sqy s SER 501 Cb 0.05 -1.61 1.18 0.00 -1.71 0.00 0.00 66.02 63.92 1sqy s SER 501 CO 0.08 -0.67 1.93 0.78 1.20 0.00 0.00 173.24 176.56 1sqy h ASN 502 N 0.41 0.00 0.10 5.45 -0.26 -1.87 -2.40 115.58 117.01 1sqy h ASN 502 Ca -0.46 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.28 1sqy h ASN 502 Cb 1.25 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.51 1sqy h ASN 502 CO 0.58 0.15 0.00 0.18 -1.06 0.00 0.00 177.43 177.28 1sqy n LEU 503 N -3.39 0.00 0.00 1.61 4.77 -1.26 -1.31 117.00 117.42 1sqy n LEU 503 Ca -0.00 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1sqy n LEU 503 Cb 0.35 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1sqy n LEU 503 CO 0.31 -0.07 0.01 0.00 -1.33 0.00 0.00 177.39 176.31 1sqy h ALA 505 N 0.00 1.31 0.00 0.00 0.00 -1.03 -2.04 119.26 117.50 1sqy h ALA 505 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1sqy h ALA 505 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1sqy h ALA 505 CO 0.00 -0.31 -0.37 1.28 0.00 0.00 0.00 179.25 179.86 1sqy n LEU 506 N -5.05 0.39 -4.73 0.00 4.77 -0.73 -4.91 117.00 106.76 1sqy n LEU 506 Ca 0.20 0.17 -0.35 0.00 -0.03 0.00 0.00 56.01 56.00 1sqy n LEU 506 Cb 0.58 -0.31 0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1sqy n LEU 506 CO 0.14 0.07 0.84 0.00 -1.33 0.00 0.00 177.39 177.11 1sqy n ILE 508 N -2.28 0.56 -3.49 0.00 -0.00 -1.26 -4.88 119.36 108.01 1sqy n ILE 508 Ca 0.14 -0.65 0.00 0.00 -0.00 0.00 0.00 62.75 62.24 1sqy n ILE 508 Cb 0.49 0.78 0.00 0.00 -0.00 0.00 0.00 39.64 40.91 1sqy n ILE 508 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1sqy n GLY 509 N -0.28 0.39 2.97 3.28 0.00 -1.26 -4.55 105.19 105.73 1sqy n GLY 509 Ca 0.00 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 1sqy n GLY 509 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sqy n ASP 510 N -3.30 -0.91 -0.29 1.61 5.68 0.21 -2.77 116.55 116.78 1sqy n ASP 510 Ca 0.00 -1.21 0.10 0.00 -0.50 0.00 0.00 54.79 53.18 1sqy n ASP 510 Cb 0.00 -0.82 0.34 0.00 -1.14 0.00 0.00 41.12 39.51 1sqy n ASP 510 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1sqy h GLU 511 N 0.00 0.75 0.00 0.11 5.08 -1.88 0.53 114.58 119.17 1sqy h GLU 511 Ca -0.34 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 1sqy h GLU 511 Cb 0.99 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1sqy h GLU 511 CO 0.23 0.49 -0.11 1.96 -1.00 0.00 0.00 179.01 180.58 1sqy h GLN 512 N 0.77 0.00 0.00 2.33 1.08 -1.94 -3.46 115.11 113.89 1sqy h GLN 512 Ca 0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.65 1sqy h GLN 512 Cb 0.64 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1sqy h GLN 512 CO -0.21 0.11 0.00 0.41 -0.95 0.00 0.00 178.83 178.19 1sqy n GLY 513 N 0.16 1.41 3.71 3.46 0.00 0.19 -5.10 105.19 109.03 1sqy n GLY 513 Ca 0.01 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 1sqy n GLY 513 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sqy s GLU 514 N -1.74 2.16 -1.17 1.61 2.02 -1.25 -4.73 118.70 115.60 1sqy s GLU 514 Ca 0.00 -1.92 -0.01 0.00 0.02 0.00 0.00 54.97 53.06 1sqy s GLU 514 Cb 0.00 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.33 1sqy s GLU 514 CO 0.00 -0.11 0.15 0.09 0.02 0.00 0.00 175.26 175.41 1sqy n ASN 515 N -1.18 -4.49 -4.70 -0.19 3.02 -1.26 0.66 115.26 107.11 1sqy n ASN 515 Ca -0.02 -0.08 -0.43 0.00 -0.03 0.00 0.00 54.58 54.02 1sqy n ASN 515 Cb 0.65 -3.55 -0.02 0.00 -0.61 0.00 0.00 39.78 36.25 1sqy n ASN 515 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sqy n LYS 516 N -2.60 2.32 -0.92 3.52 5.02 -1.26 -1.76 118.16 122.48 1sqy n LYS 516 Ca -0.14 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1sqy n LYS 516 Cb 0.61 -2.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.10 1sqy n LYS 516 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sqy s VAL 518 N -1.56 3.28 0.00 0.00 0.11 -0.72 -0.38 120.40 121.14 1sqy s VAL 518 Ca 0.00 1.23 -0.04 0.00 -2.93 0.00 0.00 61.98 60.24 1sqy s VAL 518 Cb 0.00 -3.76 -0.17 0.00 -1.53 0.00 0.00 36.38 30.92 1sqy s VAL 518 CO 0.00 0.25 2.91 -2.65 -3.33 0.00 0.00 175.10 172.28 1sqy n PRO 519 N 0.83 1.56 -4.12 1.54 -0.02 -1.26 -4.55 135.00 128.97 1sqy n PRO 519 Ca 0.00 -0.63 -0.13 0.00 -2.02 0.00 0.00 63.50 60.73 1sqy n PRO 519 Cb 0.45 -1.66 -0.07 0.00 -0.02 0.00 0.00 33.50 32.20 1sqy n PRO 519 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1sqy s ASN 520 N 2.05 0.46 0.00 2.55 2.20 -1.26 -4.64 114.94 116.30 1sqy s ASN 520 Ca 0.42 -1.32 0.00 0.00 -0.94 0.00 0.00 52.86 51.02 1sqy s ASN 520 Cb 0.20 0.54 0.00 0.00 -2.00 0.00 0.00 41.25 39.99 1sqy s ASN 520 CO 0.00 -1.08 0.91 -1.54 -2.94 0.00 0.00 177.10 172.45 1sqy n SER 521 N -0.76 0.00 0.17 3.54 3.41 -1.26 -2.33 113.62 116.39 1sqy n SER 521 Ca 0.01 0.41 0.03 0.00 -0.26 0.00 0.00 58.87 59.06 1sqy n SER 521 Cb 0.63 -0.41 0.31 0.00 -0.26 0.00 0.00 64.21 64.48 1sqy n SER 521 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1sqy h ASN 522 N 0.00 0.00 -3.29 4.04 2.35 -1.94 -3.38 115.58 113.35 1sqy h ASN 522 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 1sqy h ASN 522 Cb 0.07 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.39 1sqy h ASN 522 CO 0.00 0.44 0.92 -0.70 -1.65 0.00 0.00 177.43 176.44 1sqy s GLU 523 N -3.85 3.94 0.57 0.81 2.56 -0.98 -2.62 118.70 119.12 1sqy s GLU 523 Ca -0.02 1.08 0.25 0.00 0.00 0.00 0.00 54.97 56.29 1sqy s GLU 523 Cb 0.13 -3.83 1.61 0.00 2.00 0.00 0.00 34.13 34.04 1sqy s GLU 523 CO 0.72 -1.09 2.18 0.00 -0.56 0.00 0.00 175.26 176.51 1sqy h ARG 524 N 8.87 0.00 -0.75 4.30 3.08 -1.71 -1.62 114.38 126.55 1sqy h ARG 524 Ca -0.24 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.80 1sqy h ARG 524 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1sqy h ARG 524 CO 1.05 0.00 0.02 0.66 -1.07 0.00 0.00 179.97 180.62 1sqy n TYR 525 N -4.06 1.33 -3.31 3.04 4.01 -1.26 -4.35 117.16 112.56 1sqy n TYR 525 Ca -0.01 -0.49 -0.37 0.00 -0.16 0.00 0.00 57.90 56.87 1sqy n TYR 525 Cb 0.17 -0.37 -0.06 0.00 -0.31 0.00 0.00 39.34 38.77 1sqy n TYR 525 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1sqy s TYR 526 N -2.10 3.69 0.00 -0.72 5.04 -0.61 -2.94 117.35 119.70 1sqy s TYR 526 Ca 0.34 1.16 0.00 0.00 -2.44 0.00 0.00 57.07 56.13 1sqy s TYR 526 Cb 0.26 -2.43 0.00 0.00 0.35 0.00 0.00 41.96 40.14 1sqy s TYR 526 CO 0.10 0.49 0.00 0.41 -1.34 0.00 0.00 175.55 175.21 1sqy n GLY 527 N 1.17 -1.91 0.36 8.97 0.00 -0.33 -2.21 105.19 111.23 1sqy n GLY 527 Ca -0.07 -1.39 -0.17 0.00 0.00 0.00 0.00 46.02 44.39 1sqy n GLY 527 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1sqy h TYR 528 N 0.00 -0.83 -0.68 1.61 0.05 -1.93 -1.18 116.97 114.01 1sqy h TYR 528 Ca 0.00 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 1sqy h TYR 528 Cb 0.00 0.29 -0.03 0.00 1.01 0.00 0.00 36.73 38.00 1sqy h TYR 528 CO 0.00 -0.50 0.18 1.15 -1.05 0.00 0.00 178.16 177.94 1sqy h THR 529 N -0.83 1.26 -0.49 -2.88 2.02 -1.85 -2.75 112.91 107.39 1sqy h THR 529 Ca -0.07 -0.94 -0.11 0.00 0.77 0.00 0.00 66.41 66.06 1sqy h THR 529 Cb 0.66 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1sqy h THR 529 CO 0.10 0.36 -0.12 1.23 0.37 0.00 0.00 175.52 177.45 1sqy h GLY 530 N 1.02 0.99 1.80 2.16 0.00 -1.37 -1.73 103.07 105.94 1sqy h GLY 530 Ca 0.22 -0.79 -0.12 0.00 0.00 0.00 0.00 47.33 46.64 1sqy h GLY 530 CO -0.00 0.72 -0.48 0.00 0.00 0.00 0.00 176.54 176.79 1sqy h ALA 531 N 1.04 1.03 -0.22 3.60 0.00 -1.09 -1.81 119.26 121.80 1sqy h ALA 531 Ca 0.13 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1sqy h ALA 531 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1sqy h ALA 531 CO 0.05 0.64 -0.05 0.35 0.00 0.00 0.00 179.25 180.23 1sqy h PHE 532 N 0.18 0.48 -0.92 0.00 3.57 -1.28 -2.97 116.94 115.99 1sqy h PHE 532 Ca 0.01 -0.10 0.04 0.00 3.53 0.00 0.00 57.97 61.44 1sqy h PHE 532 Cb 0.91 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.48 1sqy h PHE 532 CO 0.02 0.66 0.60 -0.09 -2.23 0.00 0.00 178.31 177.27 1sqy h ARG 533 N 0.16 1.12 -0.80 1.11 2.43 -1.15 -0.05 114.38 117.20 1sqy h ARG 533 Ca 0.06 -0.07 0.13 0.00 -0.81 0.00 0.00 59.98 59.29 1sqy h ARG 533 Cb 0.50 -0.25 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 1sqy h ARG 533 CO 0.02 0.74 0.53 0.00 -1.51 0.00 0.00 179.97 179.75 1sqy h LEU 535 N 0.59 -0.00 -2.25 0.00 5.85 -0.94 -1.11 115.31 117.45 1sqy h LEU 535 Ca 0.39 -0.88 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 1sqy h LEU 535 Cb 0.68 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 1sqy h LEU 535 CO -0.15 0.89 -0.03 0.00 -0.34 0.00 0.00 178.44 178.81 1sqy h ALA 536 N 0.05 1.58 -0.54 1.25 0.00 -0.92 0.48 119.26 121.15 1sqy h ALA 536 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sqy h ALA 536 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1sqy h ALA 536 CO 0.00 0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.68 1sqy n GLU 537 N -3.96 2.37 -1.55 0.00 1.02 -0.18 -4.94 120.64 113.40 1sqy n GLU 537 Ca -0.03 -1.99 -0.15 0.00 -0.02 0.00 0.00 57.16 54.98 1sqy n GLU 537 Cb 0.12 -1.47 -0.05 0.00 -0.02 0.00 0.00 31.44 30.02 1sqy n GLU 537 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sqy n ASN 538 N 1.06 -4.70 0.01 1.62 3.02 0.16 -4.91 115.26 111.52 1sqy n ASN 538 Ca 0.18 0.30 -0.12 0.00 -0.03 0.00 0.00 54.58 54.92 1sqy n ASN 538 Cb 0.49 -3.53 -0.09 0.00 -0.61 0.00 0.00 39.78 36.04 1sqy n ASN 538 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sqy h ALA 539 N 0.10 -0.11 -0.79 5.41 0.00 -1.40 -3.47 119.26 119.00 1sqy h ALA 539 Ca -0.30 -0.28 -0.55 0.00 0.00 0.00 0.00 54.91 53.77 1sqy h ALA 539 Cb 0.99 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1sqy h ALA 539 CO 0.43 -0.23 -0.29 0.20 0.00 0.00 0.00 179.25 179.36 1sqy s GLY 540 N -3.41 2.24 -0.01 0.00 0.00 -1.05 -4.93 107.32 100.16 1sqy s GLY 540 Ca -0.15 -1.52 0.12 0.00 0.00 0.00 0.00 44.72 43.17 1sqy s GLY 540 CO 0.57 -1.86 0.40 1.22 0.00 0.00 0.00 173.10 173.42 1sqy n ASP 541 N -1.78 1.23 -3.77 1.64 8.00 0.51 -4.69 116.55 117.69 1sqy n ASP 541 Ca 0.02 -0.47 -0.13 0.00 0.71 0.00 0.00 54.79 54.92 1sqy n ASP 541 Cb 0.63 1.21 -0.11 0.00 -0.02 0.00 0.00 41.12 42.84 1sqy n ASP 541 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1sqy s VAL 542 N -2.37 0.00 -0.06 2.53 0.11 -1.17 -4.47 120.40 114.98 1sqy s VAL 542 Ca 0.01 -0.04 0.05 0.00 -2.93 0.00 0.00 61.98 59.07 1sqy s VAL 542 Cb 0.08 -0.45 -0.01 0.00 -1.53 0.00 0.00 36.38 34.47 1sqy s VAL 542 CO 0.48 -0.02 -0.22 0.00 -3.33 0.00 0.00 175.10 172.00 1sqy s ALA 543 N 0.04 1.97 -0.59 1.54 0.00 0.18 -1.25 121.76 123.66 1sqy s ALA 543 Ca -0.01 -0.92 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 1sqy s ALA 543 Cb -0.02 -0.65 0.15 0.00 0.00 0.00 0.00 23.12 22.59 1sqy s ALA 543 CO 0.01 0.34 0.51 -0.06 0.00 0.00 0.00 175.76 176.56 1sqy s PHE 544 N 0.02 3.42 0.00 0.00 0.08 -0.64 -0.25 117.98 120.61 1sqy s PHE 544 Ca -0.07 -1.69 0.00 0.00 0.12 0.00 0.00 56.93 55.29 1sqy s PHE 544 Cb -0.14 -3.68 0.00 0.00 -0.57 0.00 0.00 43.02 38.62 1sqy s PHE 544 CO 0.04 -1.00 0.00 1.33 -0.10 0.00 0.00 175.22 175.50 1sqy n VAL 545 N 4.78 0.00 -4.20 -0.44 0.24 -1.07 -3.71 118.33 113.93 1sqy n VAL 545 Ca -0.05 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.02 1sqy n VAL 545 Cb 0.42 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.72 1sqy n VAL 545 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1sqy s LYS 546 N 1.09 2.47 0.21 7.34 -2.85 -1.26 -0.61 119.74 126.13 1sqy s LYS 546 Ca 0.00 -1.35 -0.10 0.00 -1.00 0.00 0.00 55.97 53.52 1sqy s LYS 546 Cb 0.00 -2.27 0.19 0.00 -2.06 0.00 0.00 37.83 33.69 1sqy s LYS 546 CO 0.00 0.31 1.85 0.38 0.10 0.00 0.00 175.35 177.99 1sqy h ASP 547 N 1.70 0.74 0.39 0.03 2.03 -1.89 -2.40 116.42 117.03 1sqy h ASP 547 Ca -0.45 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 1sqy h ASP 547 Cb 1.25 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 39.59 1sqy h ASP 547 CO 0.61 0.51 0.00 -0.37 -1.03 0.00 0.00 179.24 178.96 1sqy h VAL 548 N 0.88 0.00 -0.52 4.15 -1.51 -1.96 -2.73 116.25 114.55 1sqy h VAL 548 Ca 0.28 -0.16 -0.02 0.00 -1.23 0.00 0.00 66.70 65.57 1sqy h VAL 548 Cb 0.01 0.92 -0.02 0.00 -2.13 0.00 0.00 31.29 30.07 1sqy h VAL 548 CO -0.11 0.00 0.24 0.74 -1.23 0.00 0.00 177.57 177.21 1sqy h THR 549 N 0.00 1.20 -0.24 7.19 2.02 -1.84 0.11 112.91 121.36 1sqy h THR 549 Ca 0.00 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 1sqy h THR 549 Cb 0.20 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1sqy h THR 549 CO 0.00 0.23 0.02 0.58 0.37 0.00 0.00 175.52 176.72 1sqy h VAL 550 N 0.70 1.24 0.17 3.16 2.07 -1.63 -2.77 116.25 119.19 1sqy h VAL 550 Ca 0.18 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1sqy h VAL 550 Cb 0.15 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1sqy h VAL 550 CO -0.02 0.26 -0.25 -0.07 0.02 0.00 0.00 177.57 177.52 1sqy h LEU 551 N 0.19 -0.68 0.00 2.57 4.07 -1.51 -2.01 115.31 117.94 1sqy h LEU 551 Ca 0.07 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1sqy h LEU 551 Cb 0.37 0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1sqy h LEU 551 CO 0.01 -0.34 0.00 0.00 -1.08 0.00 0.00 178.44 177.02 1sqy n GLN 552 N -5.37 0.02 -0.06 1.13 6.02 0.35 -3.05 117.38 116.43 1sqy n GLN 552 Ca -0.07 0.36 0.03 0.00 -0.01 0.00 0.00 57.00 57.30 1sqy n GLN 552 Cb 0.28 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.08 1sqy n GLN 552 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1sqy n ASN 553 N -1.44 1.68 -4.23 1.08 3.02 -0.80 -3.92 115.26 110.64 1sqy n ASN 553 Ca 0.02 -2.17 -0.24 0.00 -0.03 0.00 0.00 54.58 52.15 1sqy n ASN 553 Cb 0.06 -0.14 -0.09 0.00 -0.61 0.00 0.00 39.78 39.01 1sqy n ASN 553 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1sqy s THR 554 N -1.32 0.76 -1.39 3.41 -4.23 -0.96 -4.65 115.64 107.27 1sqy s THR 554 Ca 0.09 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.54 1sqy s THR 554 Cb 0.08 -2.47 0.03 0.00 1.34 0.00 0.00 72.50 71.48 1sqy s THR 554 CO 0.01 0.00 0.86 0.47 -0.54 0.00 0.00 174.62 175.42 1sqy n ASP 555 N -1.10 -2.99 0.00 3.99 8.00 0.66 -1.64 116.55 123.46 1sqy n ASP 555 Ca -0.05 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.68 1sqy n ASP 555 Cb 0.65 -4.13 0.00 0.00 -0.02 0.00 0.00 41.12 37.62 1sqy n ASP 555 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sqy n GLY 556 N -1.63 0.22 0.18 0.44 0.00 -1.25 -4.80 105.19 98.35 1sqy n GLY 556 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.00 1sqy n GLY 556 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1sqy h ASN 557 N 0.00 0.00 -3.36 1.61 2.35 -1.58 -3.32 115.58 111.28 1sqy h ASN 557 Ca 0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 1sqy h ASN 557 Cb 0.11 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.08 1sqy h ASN 557 CO 0.00 0.00 -0.77 0.21 -1.65 0.00 0.00 177.43 175.22 1sqy s ASN 558 N -4.22 3.29 -0.35 5.81 3.84 -1.25 -4.83 114.94 117.22 1sqy s ASN 558 Ca -0.01 -1.01 0.01 0.00 0.21 0.00 0.00 52.86 52.06 1sqy s ASN 558 Cb 0.07 -0.78 0.37 0.00 -0.55 0.00 0.00 41.25 40.37 1sqy s ASN 558 CO 0.26 -0.30 1.78 -0.46 -2.79 0.00 0.00 177.10 175.59 1sqy n ASN 559 N 4.93 4.93 -4.90 -4.21 0.23 -1.25 -3.57 115.26 111.42 1sqy n ASN 559 Ca -0.09 -3.15 -0.29 0.00 -0.53 0.00 0.00 54.58 50.53 1sqy n ASN 559 Cb 0.46 -0.85 0.03 0.00 -2.08 0.00 0.00 39.78 37.33 1sqy n ASN 559 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1sqy s GLU 560 N -2.26 3.08 0.06 -3.83 2.02 -1.26 -4.78 118.70 111.73 1sqy s GLU 560 Ca 0.39 0.30 -0.30 0.00 0.02 0.00 0.00 54.97 55.39 1sqy s GLU 560 Cb 0.32 -2.17 -0.15 0.00 0.10 0.00 0.00 34.13 32.23 1sqy s GLU 560 CO 0.04 -0.73 1.46 0.00 0.02 0.00 0.00 175.26 176.04 1sqy h ALA 561 N -0.32 -1.14 -0.42 5.21 0.00 -2.00 0.48 119.26 121.08 1sqy h ALA 561 Ca -0.45 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.40 1sqy h ALA 561 Cb 1.24 0.59 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 1sqy h ALA 561 CO 0.62 -1.14 0.39 0.11 0.00 0.00 0.00 179.25 179.24 1sqy h TRP 562 N -0.90 0.00 0.00 0.00 5.08 -1.96 -2.99 115.95 115.18 1sqy h TRP 562 Ca -0.07 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.90 1sqy h TRP 562 Cb 0.75 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.91 1sqy h TRP 562 CO -0.15 0.00 -1.06 0.00 -1.28 0.00 0.00 178.44 175.95 1sqy n ALA 563 N -2.43 2.85 -0.32 0.11 0.00 -1.09 -4.75 120.51 114.87 1sqy n ALA 563 Ca 0.07 -0.28 0.20 0.00 0.00 0.00 0.00 53.44 53.44 1sqy n ALA 563 Cb 0.58 -0.38 0.40 0.00 0.00 0.00 0.00 19.45 20.05 1sqy n ALA 563 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1sqy h LYS 564 N 0.00 0.10 -0.01 0.00 2.10 0.13 -2.42 116.57 116.47 1sqy h LYS 564 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1sqy h LYS 564 Cb 0.39 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 1sqy h LYS 564 CO 0.00 0.07 -0.51 -0.25 -2.00 0.00 0.00 179.45 176.76 1sqy n ASP 565 N -5.29 1.87 -4.75 7.07 8.00 -1.26 -3.90 116.55 118.29 1sqy n ASP 565 Ca 0.28 -1.43 -0.41 0.00 0.71 0.00 0.00 54.79 53.94 1sqy n ASP 565 Cb 0.92 0.50 -0.00 0.00 -0.02 0.00 0.00 41.12 42.52 1sqy n ASP 565 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1sqy n LEU 566 N -0.20 4.45 -4.38 0.64 4.77 -0.91 -4.84 117.00 116.53 1sqy n LEU 566 Ca 0.09 1.22 -0.32 0.00 -0.03 0.00 0.00 56.01 56.98 1sqy n LEU 566 Cb 0.45 -1.58 -0.15 0.00 -2.33 0.00 0.00 43.42 39.81 1sqy n LEU 566 CO 0.30 -0.01 -0.52 -0.54 -1.33 0.00 0.00 177.39 175.28 1sqy s LYS 567 N -2.02 2.23 0.58 3.23 -0.14 -1.26 -0.25 119.74 122.11 1sqy s LYS 567 Ca 0.54 -0.86 0.29 0.00 -1.36 0.00 0.00 55.97 54.58 1sqy s LYS 567 Cb -0.50 -2.16 1.48 0.00 -1.68 0.00 0.00 37.83 34.96 1sqy s LYS 567 CO 0.63 0.58 1.90 1.25 -0.76 0.00 0.00 175.35 178.95 1sqy h LEU 568 N 5.35 0.00 0.00 3.17 5.85 -1.92 -0.56 115.31 127.21 1sqy h LEU 568 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1sqy h LEU 568 Cb 1.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1sqy h LEU 568 CO 0.48 0.00 -0.17 0.00 -0.34 0.00 0.00 178.44 178.41 1sqy n ALA 569 N -2.38 2.60 1.79 1.25 0.00 -1.26 -3.18 120.51 119.33 1sqy n ALA 569 Ca 0.09 -0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1sqy n ALA 569 Cb 0.69 -1.37 0.40 0.00 0.00 0.00 0.00 19.45 19.17 1sqy n ALA 569 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sqy n ASP 570 N -1.79 0.42 -4.22 0.00 8.00 -0.22 -4.78 116.55 113.97 1sqy n ASP 570 Ca 0.06 -1.60 -0.17 0.00 0.71 0.00 0.00 54.79 53.79 1sqy n ASP 570 Cb 0.38 -0.03 -0.11 0.00 -0.02 0.00 0.00 41.12 41.33 1sqy n ASP 570 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1sqy s PHE 571 N -1.93 1.28 0.19 1.24 0.08 -1.19 -0.74 117.98 116.91 1sqy s PHE 571 Ca 0.24 -0.59 -0.10 0.00 0.12 0.00 0.00 56.93 56.61 1sqy s PHE 571 Cb 0.11 -0.68 -0.01 0.00 -0.57 0.00 0.00 43.02 41.88 1sqy s PHE 571 CO 0.18 0.10 0.34 0.00 -0.10 0.00 0.00 175.22 175.74 1sqy s ALA 572 N -2.22 -0.00 0.13 5.36 0.00 -0.23 -4.39 121.76 120.40 1sqy s ALA 572 Ca 0.08 -0.93 0.05 0.00 0.00 0.00 0.00 51.96 51.16 1sqy s ALA 572 Cb -0.04 0.98 -0.04 0.00 0.00 0.00 0.00 23.12 24.01 1sqy s ALA 572 CO 0.02 -0.71 0.04 -0.51 0.00 0.00 0.00 175.76 174.60 1sqy s LEU 573 N -3.00 3.54 -0.25 0.00 1.43 0.55 -1.22 118.68 119.72 1sqy s LEU 573 Ca 0.20 -0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 53.00 1sqy s LEU 573 Cb 0.02 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1sqy s LEU 573 CO 0.04 0.13 0.14 -0.76 0.23 0.00 0.00 176.35 176.12 1sqy s LEU 574 N -2.66 3.88 0.25 1.79 1.02 -0.98 -2.03 118.68 119.94 1sqy s LEU 574 Ca 0.28 -0.02 -0.05 0.00 0.02 0.00 0.00 54.13 54.36 1sqy s LEU 574 Cb -0.11 -2.05 -0.06 0.00 0.02 0.00 0.00 46.19 44.00 1sqy s LEU 574 CO 0.20 0.01 0.51 0.00 0.02 0.00 0.00 176.35 177.09 1sqy h LEU 576 N 2.06 0.00 -0.97 0.00 3.38 -1.87 -1.93 115.31 115.99 1sqy h LEU 576 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1sqy h LEU 576 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1sqy h LEU 576 CO 0.68 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.31 1sqy n ASP 577 N -2.53 1.44 0.00 -0.43 5.68 -1.26 -4.88 116.55 114.57 1sqy n ASP 577 Ca -0.01 -1.72 0.00 0.00 -0.50 0.00 0.00 54.79 52.56 1sqy n ASP 577 Cb 0.10 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1sqy n ASP 577 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sqy n GLY 578 N 1.06 1.01 3.95 6.12 0.00 -0.72 -5.06 105.19 111.54 1sqy n GLY 578 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1sqy n GLY 578 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqy s LYS 579 N -0.81 0.96 -0.01 1.61 3.01 -1.26 -4.63 119.74 118.62 1sqy s LYS 579 Ca 0.00 -0.62 0.01 0.00 -1.01 0.00 0.00 55.97 54.34 1sqy s LYS 579 Cb 0.00 -1.99 0.00 0.00 -1.01 0.00 0.00 37.83 34.83 1sqy s LYS 579 CO 0.00 -2.12 -0.02 1.03 0.51 0.00 0.00 175.35 174.76 1sqy s ARG 580 N -5.66 0.19 0.22 1.68 0.52 -1.26 -1.37 118.95 113.26 1sqy s ARG 580 Ca 0.72 -0.04 0.02 0.00 -0.52 0.00 0.00 55.73 55.90 1sqy s ARG 580 Cb -0.04 -0.23 -0.05 0.00 0.52 0.00 0.00 34.95 35.15 1sqy s ARG 580 CO 0.50 0.01 0.05 0.15 0.02 0.00 0.00 175.30 176.03 1sqy s LYS 581 N 0.16 1.26 0.69 3.54 1.02 -0.86 -4.93 119.74 120.63 1sqy s LYS 581 Ca -0.01 -1.65 -0.14 0.00 0.02 0.00 0.00 55.97 54.18 1sqy s LYS 581 Cb -0.03 -0.28 0.02 0.00 -0.52 0.00 0.00 37.83 37.01 1sqy s LYS 581 CO -0.00 -0.21 1.13 -2.14 -0.92 0.00 0.00 175.35 173.21 1sqy s PRO 582 N -3.97 2.55 0.45 -1.68 0.02 -1.26 -0.33 135.00 130.78 1sqy s PRO 582 Ca 0.31 1.43 0.17 0.00 0.02 0.00 0.00 61.00 62.93 1sqy s PRO 582 Cb 0.07 -1.91 1.12 0.00 0.02 0.00 0.00 34.50 33.79 1sqy s PRO 582 CO 0.09 -1.45 1.96 0.28 -0.33 0.00 0.00 177.00 177.54 1sqy h VAL 583 N -0.24 0.82 0.00 3.83 2.07 -1.86 -0.25 116.25 120.62 1sqy h VAL 583 Ca -0.46 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1sqy h VAL 583 Cb 1.25 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1sqy h VAL 583 CO 0.52 0.06 0.00 0.35 0.02 0.00 0.00 177.57 178.52 1sqy n THR 584 N -4.46 1.30 -1.38 2.57 -2.24 -1.26 -2.44 114.28 106.37 1sqy n THR 584 Ca 0.12 0.33 -0.10 0.00 -2.27 0.00 0.00 64.05 62.13 1sqy n THR 584 Cb 0.48 -1.16 0.20 0.00 -2.10 0.00 0.00 70.33 67.75 1sqy n THR 584 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sqy n GLU 585 N -1.53 2.02 0.30 -0.78 1.02 -0.11 -4.72 120.64 116.84 1sqy n GLU 585 Ca 0.02 -3.13 0.16 0.00 -0.02 0.00 0.00 57.16 54.19 1sqy n GLU 585 Cb 0.12 -1.93 0.92 0.00 -0.02 0.00 0.00 31.44 30.52 1sqy n GLU 585 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sqy h ALA 586 N 1.06 1.38 0.00 0.62 0.00 -1.63 -2.25 119.26 118.44 1sqy h ALA 586 Ca 0.34 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1sqy h ALA 586 Cb 2.02 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 1sqy h ALA 586 CO 0.60 0.04 -0.03 0.00 0.00 0.00 0.00 179.25 179.86 1sqy h ARG 587 N 0.00 0.00 -0.15 0.00 3.08 -1.89 -1.37 114.38 114.06 1sqy h ARG 587 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sqy h ARG 587 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1sqy h ARG 587 CO 0.00 0.03 0.00 -1.13 -1.07 0.00 0.00 179.97 177.80 1sqy n SER 588 N -3.19 2.23 -3.03 7.04 3.41 -0.87 -4.79 113.62 114.42 1sqy n SER 588 Ca -0.01 -1.75 -0.18 0.00 -0.26 0.00 0.00 58.87 56.67 1sqy n SER 588 Cb 0.22 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 1sqy n SER 588 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqy s HIS 590 N -0.51 1.11 0.06 0.00 -0.00 -1.18 -4.66 115.29 110.10 1sqy s HIS 590 Ca 0.34 -0.84 0.06 0.00 -0.00 0.00 0.00 55.06 54.62 1sqy s HIS 590 Cb 0.19 -0.60 -0.23 0.00 -0.00 0.00 0.00 32.58 31.95 1sqy s HIS 590 CO -0.16 -0.04 1.07 -0.07 -0.00 0.00 0.00 174.74 175.54 1sqy h LEU 591 N 2.85 0.08 -7.27 5.38 3.38 -1.29 -3.43 115.31 115.02 1sqy h LEU 591 Ca -0.36 -0.11 0.37 0.00 0.09 0.00 0.00 57.88 57.87 1sqy h LEU 591 Cb 1.18 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.78 1sqy h LEU 591 CO 0.64 1.09 0.92 0.00 0.09 0.00 0.00 178.44 181.18 1sqy s ALA 592 N -2.67 -2.43 -0.19 1.53 0.00 -1.24 -5.03 121.76 111.74 1sqy s ALA 592 Ca -0.02 0.70 -0.07 0.00 0.00 0.00 0.00 51.96 52.57 1sqy s ALA 592 Cb 0.09 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 1sqy s ALA 592 CO 0.83 -1.08 0.05 1.41 0.00 0.00 0.00 175.76 176.98 1sqy s MET 593 N -2.17 3.88 -0.04 0.00 1.75 -1.26 -1.90 119.30 119.55 1sqy s MET 593 Ca 0.18 -0.39 -0.02 0.00 -1.25 0.00 0.00 55.69 54.20 1sqy s MET 593 Cb 0.05 -3.20 -0.04 0.00 2.84 0.00 0.00 34.83 34.48 1sqy s MET 593 CO -0.05 0.18 0.09 0.00 -0.65 0.00 0.00 175.02 174.59 1sqy s ALA 594 N 0.62 3.63 0.34 4.11 0.00 0.40 -4.91 121.76 125.95 1sqy s ALA 594 Ca 0.03 -0.81 -0.28 0.00 0.00 0.00 0.00 51.96 50.90 1sqy s ALA 594 Cb -0.13 -1.67 -0.10 0.00 0.00 0.00 0.00 23.12 21.22 1sqy s ALA 594 CO 0.02 0.67 1.22 -2.14 0.00 0.00 0.00 175.76 175.53 1sqy s PRO 595 N -1.50 4.32 0.68 0.00 0.02 -1.26 -0.60 135.00 136.66 1sqy s PRO 595 Ca 0.20 2.02 -0.17 0.00 0.02 0.00 0.00 61.00 63.08 1sqy s PRO 595 Cb -0.12 -2.98 -0.03 0.00 0.02 0.00 0.00 34.50 31.39 1sqy s PRO 595 CO 0.11 -0.15 0.73 0.09 -0.33 0.00 0.00 177.00 177.46 1sqy n ASN 596 N 0.66 -0.35 -4.76 2.53 4.13 -1.26 -4.49 115.26 111.72 1sqy n ASN 596 Ca 0.01 0.67 -0.34 0.00 1.68 0.00 0.00 54.58 56.59 1sqy n ASN 596 Cb 0.44 -1.30 0.04 0.00 -1.54 0.00 0.00 39.78 37.42 1sqy n ASN 596 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1sqy s HIS 597 N -1.79 2.52 0.04 3.10 3.76 -1.26 -4.57 115.29 117.09 1sqy s HIS 597 Ca 0.70 1.55 -0.02 0.00 -0.15 0.00 0.00 55.06 57.14 1sqy s HIS 597 Cb -0.37 -3.30 -0.03 0.00 1.11 0.00 0.00 32.58 29.99 1sqy s HIS 597 CO 0.53 -1.86 0.00 0.00 -0.85 0.00 0.00 174.74 172.56 1sqy s ALA 598 N -1.99 0.26 -0.03 -1.40 0.00 -0.28 -1.28 121.76 117.04 1sqy s ALA 598 Ca 0.71 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 51.58 1sqy s ALA 598 Cb -0.24 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 1sqy s ALA 598 CO 0.36 -0.30 0.64 0.08 0.00 0.00 0.00 175.76 176.55 1sqy s VAL 599 N -2.90 4.96 0.23 0.00 1.01 -0.18 -0.13 120.40 123.38 1sqy s VAL 599 Ca -0.02 1.34 0.10 0.00 0.00 0.00 0.00 61.98 63.40 1sqy s VAL 599 Cb 0.01 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1sqy s VAL 599 CO -0.06 0.34 -0.19 0.68 0.00 0.00 0.00 175.10 175.87 1sqy s VAL 600 N 0.28 2.13 0.25 2.92 -7.23 -0.88 -0.57 120.40 117.29 1sqy s VAL 600 Ca 0.34 -2.22 -0.16 0.00 -1.81 0.00 0.00 61.98 58.13 1sqy s VAL 600 Cb -0.18 -2.12 0.06 0.00 0.56 0.00 0.00 36.38 34.69 1sqy s VAL 600 CO 0.18 -0.41 0.78 -0.24 -0.31 0.00 0.00 175.10 175.10 1sqy n SER 601 N -0.28 -1.72 -4.87 4.85 2.88 -0.82 -3.53 113.62 110.13 1sqy n SER 601 Ca -0.08 -2.06 -0.31 0.00 -1.33 0.00 0.00 58.87 55.09 1sqy n SER 601 Cb 0.59 2.83 -0.00 0.00 -0.75 0.00 0.00 64.21 66.88 1sqy n SER 601 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1sqy s ARG 602 N -2.06 3.69 0.41 -1.46 0.52 -1.26 -1.52 118.95 117.27 1sqy s ARG 602 Ca 0.17 0.76 0.10 0.00 -0.52 0.00 0.00 55.73 56.24 1sqy s ARG 602 Cb -0.03 -2.12 0.93 0.00 0.52 0.00 0.00 34.95 34.25 1sqy s ARG 602 CO 0.07 -0.46 2.00 0.52 0.02 0.00 0.00 175.30 177.45 1sqy h MET 603 N 0.06 0.50 0.00 3.54 2.86 -1.95 -2.44 114.93 117.50 1sqy h MET 603 Ca -0.45 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1sqy h MET 603 Cb 1.19 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1sqy h MET 603 CO 0.62 0.33 0.00 -0.40 1.06 0.00 0.00 176.91 178.52 1sqy n ASP 604 N -4.47 0.00 -0.00 1.22 5.68 -1.26 -3.33 116.55 114.38 1sqy n ASP 604 Ca 0.08 -0.14 0.03 0.00 -0.50 0.00 0.00 54.79 54.27 1sqy n ASP 604 Cb 0.26 -0.23 -0.04 0.00 -1.14 0.00 0.00 41.12 39.97 1sqy n ASP 604 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1sqy n LYS 605 N -1.23 4.72 -0.20 0.11 3.00 -0.92 -4.80 118.16 118.83 1sqy n LYS 605 Ca 0.11 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.31 58.36 1sqy n LYS 605 Cb 0.15 -0.82 0.01 0.00 0.00 0.00 0.00 35.03 34.37 1sqy n LYS 605 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1sqy h VAL 606 N 0.01 0.18 0.03 3.15 2.07 -1.58 -0.55 116.25 119.56 1sqy h VAL 606 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1sqy h VAL 606 Cb 0.16 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1sqy h VAL 606 CO 0.00 0.00 -0.02 -0.33 0.02 0.00 0.00 177.57 177.24 1sqy h GLU 607 N -0.15 -0.04 0.10 1.57 4.39 -1.87 -2.07 114.58 116.50 1sqy h GLU 607 Ca 0.24 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 1sqy h GLU 607 Cb 0.55 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1sqy h GLU 607 CO -0.68 0.11 -0.05 -0.09 -1.16 0.00 0.00 179.01 177.14 1sqy h ARG 608 N -0.19 -0.13 -0.84 2.33 9.65 -1.84 -2.25 114.38 121.10 1sqy h ARG 608 Ca -0.00 0.01 0.15 0.00 -1.10 0.00 0.00 59.98 59.04 1sqy h ARG 608 Cb 0.17 0.03 -0.10 0.00 -1.39 0.00 0.00 29.97 28.69 1sqy h ARG 608 CO 0.01 -0.06 0.42 1.25 2.80 0.00 0.00 179.97 184.39 1sqy h LEU 609 N -0.17 0.49 -0.37 3.80 5.85 -1.13 -1.92 115.31 121.86 1sqy h LEU 609 Ca -0.01 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1sqy h LEU 609 Cb 0.13 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1sqy h LEU 609 CO 0.02 0.19 0.11 0.50 -0.34 0.00 0.00 178.44 178.92 1sqy h LYS 610 N 0.59 0.57 -0.18 1.25 3.64 -1.00 -1.07 116.57 120.37 1sqy h LYS 610 Ca 0.47 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.61 1sqy h LYS 610 Cb 0.69 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1sqy h LYS 610 CO -0.38 0.60 -0.37 -0.56 -2.27 0.00 0.00 179.45 176.46 1sqy h GLN 611 N 0.44 0.39 0.25 1.90 3.07 -0.89 -2.27 115.11 118.01 1sqy h GLN 611 Ca 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 58.65 58.67 1sqy h GLN 611 Cb 0.27 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.82 1sqy h GLN 611 CO -0.00 0.71 -0.12 0.28 0.09 0.00 0.00 178.83 179.79 1sqy h VAL 612 N 0.33 0.80 -0.95 1.86 2.07 -1.17 -2.33 116.25 116.86 1sqy h VAL 612 Ca 0.03 -0.62 0.06 0.00 0.82 0.00 0.00 66.70 67.00 1sqy h VAL 612 Cb 0.81 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 1sqy h VAL 612 CO 0.06 0.13 0.60 -0.07 0.02 0.00 0.00 177.57 178.32 1sqy h LEU 613 N -0.67 0.96 -0.59 2.57 3.38 -1.20 0.38 115.31 120.13 1sqy h LEU 613 Ca -0.03 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1sqy h LEU 613 Cb 0.47 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1sqy h LEU 613 CO 0.06 0.62 0.32 -0.07 0.09 0.00 0.00 178.44 179.45 1sqy h LEU 614 N 1.10 0.75 0.49 1.67 3.38 -1.40 -0.56 115.31 120.73 1sqy h LEU 614 Ca 0.41 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1sqy h LEU 614 Cb 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1sqy h LEU 614 CO -0.17 0.64 -0.23 -0.74 0.09 0.00 0.00 178.44 178.03 1sqy h HIS 615 N 0.81 -0.61 -0.96 1.13 2.76 -0.74 -2.81 115.15 114.74 1sqy h HIS 615 Ca 0.21 -0.01 0.15 0.00 -2.20 0.00 0.00 60.37 58.51 1sqy h HIS 615 Cb 0.07 0.20 -0.09 0.00 1.55 0.00 0.00 27.41 29.13 1sqy h HIS 615 CO -0.01 -0.29 0.57 1.96 -1.30 0.00 0.00 177.93 178.87 1sqy h GLN 616 N -0.90 0.79 0.00 5.26 1.08 -0.17 -0.98 115.11 120.18 1sqy h GLN 616 Ca -0.07 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 1sqy h GLN 616 Cb 0.59 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1sqy h GLN 616 CO 0.11 0.52 -0.05 -0.56 -0.95 0.00 0.00 178.83 177.90 1sqy h GLN 617 N 0.81 0.00 0.00 1.46 3.07 -1.09 0.13 115.11 119.49 1sqy h GLN 617 Ca 0.52 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 59.18 1sqy h GLN 617 Cb 0.67 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.22 1sqy h GLN 617 CO -0.33 0.05 -0.34 0.00 0.09 0.00 0.00 178.83 178.30 1sqy h ALA 618 N 1.95 0.94 0.01 0.06 0.00 -0.91 0.24 119.26 121.55 1sqy h ALA 618 Ca -0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 54.91 54.31 1sqy h ALA 618 Cb 0.73 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1sqy h ALA 618 CO 0.01 0.43 -1.60 1.63 0.00 0.00 0.00 179.25 179.71 1sqy n LYS 619 N -3.42 0.58 -0.29 0.00 5.02 -0.87 -2.78 118.16 116.41 1sqy n LYS 619 Ca 0.00 0.49 0.07 0.00 -2.02 0.00 0.00 58.31 56.85 1sqy n LYS 619 Cb 0.52 -1.69 0.20 0.00 -0.02 0.00 0.00 35.03 34.04 1sqy n LYS 619 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1sqy n PHE 620 N -4.32 0.68 -0.97 2.13 3.72 -0.02 -1.17 117.46 117.50 1sqy n PHE 620 Ca -0.37 -0.63 -0.03 0.00 -0.05 0.00 0.00 57.45 56.36 1sqy n PHE 620 Cb 0.75 -0.14 0.02 0.00 -0.94 0.00 0.00 39.48 39.18 1sqy n PHE 620 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sqy n GLY 621 N 0.19 -1.49 0.33 1.37 0.00 0.84 -1.35 105.19 105.09 1sqy n GLY 621 Ca 0.16 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 1sqy n GLY 621 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1sqy h ARG 622 N 0.00 -0.42 -1.02 1.61 1.12 -1.78 0.33 114.38 114.23 1sqy h ARG 622 Ca -0.05 0.03 -0.68 0.00 -1.11 0.00 0.00 59.98 58.17 1sqy h ARG 622 Cb 0.13 0.10 -0.29 0.00 -0.01 0.00 0.00 29.97 29.89 1sqy h ARG 622 CO 0.03 -0.28 0.84 0.09 -3.11 0.00 0.00 179.97 177.54 1sqy n ASN 623 N -5.41 7.64 -4.70 -3.80 5.03 -1.26 -4.97 115.26 107.78 1sqy n ASN 623 Ca -0.04 -3.79 -0.42 0.00 0.87 0.00 0.00 54.58 51.20 1sqy n ASN 623 Cb 0.32 -0.97 -0.03 0.00 -1.02 0.00 0.00 39.78 38.09 1sqy n ASN 623 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1sqy s GLY 624 N -1.86 2.01 0.12 7.41 0.00 0.12 -4.92 107.32 110.21 1sqy s GLY 624 Ca 0.64 0.98 -0.25 0.00 0.00 0.00 0.00 44.72 46.09 1sqy s GLY 624 CO -0.02 2.35 1.43 1.48 0.00 0.00 0.00 173.10 178.34 1sqy h SER 625 N 7.18 -1.70 -0.57 1.64 4.64 -1.33 -0.50 113.55 122.92 1sqy h SER 625 Ca -0.40 0.26 -0.32 0.00 -0.47 0.00 0.00 61.79 60.85 1sqy h SER 625 Cb 1.20 0.75 -0.18 0.00 -0.31 0.00 0.00 62.40 63.86 1sqy h SER 625 CO 0.87 -0.19 0.41 0.47 -0.87 0.00 0.00 176.83 177.51 1sqy n ASP 626 N -4.78 4.22 0.00 4.97 9.92 -0.32 -4.77 116.55 125.79 1sqy n ASP 626 Ca 0.01 -2.99 0.00 0.00 -0.53 0.00 0.00 54.79 51.28 1sqy n ASP 626 Cb 0.21 -0.78 0.00 0.00 -0.64 0.00 0.00 41.12 39.91 1sqy n ASP 626 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sqy h PRO 628 N 0.00 0.12 -0.32 0.00 0.11 -1.82 -1.42 132.00 128.66 1sqy h PRO 628 Ca 0.00 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.17 1sqy h PRO 628 Cb 0.00 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.01 1sqy h PRO 628 CO 0.00 0.08 -0.15 -0.44 -0.21 0.00 0.00 178.00 177.28 1sqy h ASP 629 N 0.12 -0.49 0.00 -2.05 3.32 -1.89 -3.39 116.42 112.04 1sqy h ASP 629 Ca 0.23 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1sqy h ASP 629 Cb 0.34 0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1sqy h ASP 629 CO -0.38 -0.18 -0.49 0.29 -1.72 0.00 0.00 179.24 176.76 1sqy n LYS 630 N -5.32 0.26 -3.64 3.56 5.02 -0.90 -5.10 118.16 112.04 1sqy n LYS 630 Ca 0.01 0.10 -0.14 0.00 -2.02 0.00 0.00 58.31 56.26 1sqy n LYS 630 Cb 0.24 -0.95 -0.07 0.00 -0.02 0.00 0.00 35.03 34.22 1sqy n LYS 630 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1sqy s PHE 631 N -2.43 -0.73 -0.11 2.13 5.36 -0.59 -5.03 117.98 116.58 1sqy s PHE 631 Ca -0.14 1.74 0.02 0.00 -0.96 0.00 0.00 56.93 57.58 1sqy s PHE 631 Cb 0.02 0.26 0.01 0.00 -0.34 0.00 0.00 43.02 42.98 1sqy s PHE 631 CO 0.21 -0.38 -0.17 0.00 -1.46 0.00 0.00 175.22 173.42 1sqy h LEU 633 N 7.29 0.46 -2.87 0.00 3.38 -1.53 -3.25 115.31 118.78 1sqy h LEU 633 Ca -0.30 -0.24 -0.20 0.00 0.09 0.00 0.00 57.88 57.23 1sqy h LEU 633 Cb 1.19 -0.12 -0.12 0.00 0.09 0.00 0.00 40.66 41.70 1sqy h LEU 633 CO 0.50 0.58 0.25 0.49 0.09 0.00 0.00 178.44 180.35 1sqy n PHE 634 N -4.66 1.50 -4.45 1.13 3.72 -1.26 -4.76 117.46 108.68 1sqy n PHE 634 Ca -0.02 -0.98 -0.20 0.00 -0.05 0.00 0.00 57.45 56.20 1sqy n PHE 634 Cb 0.20 -0.54 -0.15 0.00 -0.94 0.00 0.00 39.48 38.06 1sqy n PHE 634 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1sqy s GLN 635 N -1.83 0.89 0.00 -1.08 2.00 -1.23 -4.33 119.66 114.08 1sqy s GLN 635 Ca 0.30 -0.46 0.00 0.00 -2.00 0.00 0.00 55.36 53.20 1sqy s GLN 635 Cb 0.25 -0.86 0.00 0.00 0.80 0.00 0.00 33.01 33.19 1sqy s GLN 635 CO 0.07 0.23 0.00 -1.13 -0.50 0.00 0.00 175.29 173.96 1sqy n SER 636 N 2.63 0.00 -2.92 6.67 3.41 -1.26 -4.90 113.62 117.25 1sqy n SER 636 Ca -0.15 -0.72 -0.09 0.00 -0.26 0.00 0.00 58.87 57.65 1sqy n SER 636 Cb 0.56 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.52 1sqy n SER 636 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1sqy n GLU 637 N 0.00 -2.51 -0.66 4.33 0.28 -1.26 -3.89 120.64 116.93 1sqy n GLU 637 Ca 0.00 2.15 0.00 0.00 -0.16 0.00 0.00 57.16 59.15 1sqy n GLU 637 Cb 0.28 -4.88 0.00 0.00 1.43 0.00 0.00 31.44 28.27 1sqy n GLU 637 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1sqy n THR 638 N 0.08 0.00 0.67 3.84 -2.24 -1.26 -4.74 114.28 110.63 1sqy n THR 638 Ca 0.05 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.95 1sqy n THR 638 Cb 0.37 -0.66 0.06 0.00 -2.10 0.00 0.00 70.33 68.00 1sqy n THR 638 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sqy n LYS 639 N 0.65 0.22 -3.82 -0.78 5.02 -1.25 -4.73 118.16 113.47 1sqy n LYS 639 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1sqy n LYS 639 Cb 0.33 -1.58 0.01 0.00 -0.02 0.00 0.00 35.03 33.77 1sqy n LYS 639 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1sqy n ASN 640 N -1.86 -2.59 -4.65 4.39 3.02 -1.26 -4.92 115.26 107.39 1sqy n ASN 640 Ca 0.03 -1.00 -0.41 0.00 -0.03 0.00 0.00 54.58 53.17 1sqy n ASN 640 Cb 0.41 -3.25 -0.05 0.00 -0.61 0.00 0.00 39.78 36.28 1sqy n ASN 640 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1sqy s LEU 641 N -6.75 4.12 0.00 3.41 1.02 -1.26 -4.31 118.68 114.91 1sqy s LEU 641 Ca 0.21 0.92 0.00 0.00 0.02 0.00 0.00 54.13 55.28 1sqy s LEU 641 Cb -0.08 -3.02 0.00 0.00 0.02 0.00 0.00 46.19 43.11 1sqy s LEU 641 CO 0.87 -0.38 0.00 0.18 0.02 0.00 0.00 176.35 177.05 1sqy n LEU 642 N 5.45 0.00 -4.04 1.79 4.77 -1.26 -4.81 117.00 118.91 1sqy n LEU 642 Ca 0.02 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 1sqy n LEU 642 Cb 0.49 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 1sqy n LEU 642 CO 0.45 0.00 -0.06 -0.36 -1.33 0.00 0.00 177.39 176.10 1sqy s PHE 643 N 0.00 0.59 0.17 -1.77 0.08 -1.26 -4.42 117.98 111.37 1sqy s PHE 643 Ca 0.00 -0.93 -0.30 0.00 0.12 0.00 0.00 56.93 55.82 1sqy s PHE 643 Cb 0.00 -0.15 -0.07 0.00 -0.57 0.00 0.00 43.02 42.22 1sqy s PHE 643 CO 0.00 -0.73 1.02 -0.80 -0.10 0.00 0.00 175.22 174.61 1sqy s ASN 644 N -3.02 7.42 0.62 1.36 0.01 -1.26 -4.53 114.94 115.53 1sqy s ASN 644 Ca 0.23 1.97 0.39 0.00 -0.71 0.00 0.00 52.86 54.74 1sqy s ASN 644 Cb 0.04 -2.60 2.02 0.00 0.41 0.00 0.00 41.25 41.11 1sqy s ASN 644 CO 0.04 -0.09 2.23 0.44 -1.51 0.00 0.00 177.10 178.21 1sqy h ASP 645 N 5.04 0.00 -0.42 -1.22 3.32 -1.91 -1.37 116.42 119.86 1sqy h ASP 645 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1sqy h ASP 645 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1sqy h ASP 645 CO 0.71 0.01 0.00 -0.46 -1.72 0.00 0.00 179.24 177.78 1sqy n ASN 646 N -3.19 3.69 -4.69 6.45 6.94 -1.26 -4.71 115.26 118.49 1sqy n ASN 646 Ca -0.02 -2.42 -0.42 0.00 -0.02 0.00 0.00 54.58 51.70 1sqy n ASN 646 Cb 0.15 -0.53 -0.03 0.00 -2.36 0.00 0.00 39.78 37.01 1sqy n ASN 646 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1sqy s THR 647 N -1.91 3.63 -0.14 5.53 2.01 -0.52 -3.93 115.64 120.31 1sqy s THR 647 Ca 0.35 1.05 -0.25 0.00 0.31 0.00 0.00 61.69 63.15 1sqy s THR 647 Cb 0.24 -3.67 -0.22 0.00 0.01 0.00 0.00 72.50 68.86 1sqy s THR 647 CO 0.14 0.01 0.62 -0.08 -0.69 0.00 0.00 174.62 174.62 1sqy h GLU 648 N 7.70 0.00 -3.20 4.92 4.81 -0.61 -3.46 114.58 124.75 1sqy h GLU 648 Ca -0.39 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.87 1sqy h GLU 648 Cb 1.18 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.50 1sqy h GLU 648 CO 0.90 0.87 0.12 0.00 -0.73 0.00 0.00 179.01 180.17 1sqy s LEU 650 N -2.95 4.13 0.37 0.00 1.43 -1.26 -0.77 118.68 119.63 1sqy s LEU 650 Ca 0.15 0.46 0.08 0.00 -1.03 0.00 0.00 54.13 53.79 1sqy s LEU 650 Cb -0.04 -2.49 -0.06 0.00 0.03 0.00 0.00 46.19 43.63 1sqy s LEU 650 CO 0.08 -0.10 0.01 0.00 0.23 0.00 0.00 176.35 176.57 1sqy s ALA 651 N 1.46 3.19 0.44 4.21 0.00 0.81 -4.67 121.76 127.20 1sqy s ALA 651 Ca 0.18 -2.13 -0.21 0.00 0.00 0.00 0.00 51.96 49.80 1sqy s ALA 651 Cb -0.15 -0.11 -0.10 0.00 0.00 0.00 0.00 23.12 22.75 1sqy s ALA 651 CO 0.08 -0.02 0.97 1.03 0.00 0.00 0.00 175.76 177.82 1sqy s ARG 652 N -3.71 4.15 0.11 0.00 0.52 -0.88 -0.87 118.95 118.26 1sqy s ARG 652 Ca 0.35 1.20 0.27 0.00 -0.52 0.00 0.00 55.73 57.03 1sqy s ARG 652 Cb 0.04 -2.20 0.90 0.00 0.52 0.00 0.00 34.95 34.21 1sqy s ARG 652 CO 0.19 -0.11 1.76 1.28 0.02 0.00 0.00 175.30 178.44 1sqy n LEU 653 N -0.63 0.47 -3.71 2.53 4.77 -1.26 -4.81 117.00 114.35 1sqy n LEU 653 Ca 0.07 0.47 -0.24 0.00 -0.03 0.00 0.00 56.01 56.28 1sqy n LEU 653 Cb 0.53 -0.37 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1sqy n LEU 653 CO 0.38 -0.08 -0.10 1.41 -1.33 0.00 0.00 177.39 177.68 1sqy n HIS 654 N -1.90 -1.90 0.00 -1.77 8.25 -1.26 -2.42 115.22 114.22 1sqy n HIS 654 Ca 0.06 0.74 0.00 0.00 -0.26 0.00 0.00 57.72 58.25 1sqy n HIS 654 Cb 0.39 -4.04 0.00 0.00 1.12 0.00 0.00 29.99 27.46 1sqy n HIS 654 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sqy n GLY 655 N -1.65 3.06 2.80 -1.41 0.00 -1.26 -4.93 105.19 101.79 1sqy n GLY 655 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1sqy n GLY 655 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sqy n LYS 656 N -1.14 2.55 0.00 1.61 5.02 -1.02 -4.65 118.16 120.53 1sqy n LYS 656 Ca 0.00 -2.38 0.14 0.00 -2.02 0.00 0.00 58.31 54.05 1sqy n LYS 656 Cb 0.00 -3.16 0.51 0.00 -0.02 0.00 0.00 35.03 32.35 1sqy n LYS 656 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1sqy n THR 657 N 5.23 0.00 -4.40 -0.18 5.66 -1.26 -4.37 114.28 114.96 1sqy n THR 657 Ca 0.53 -0.14 -0.26 0.00 -3.05 0.00 0.00 64.05 61.13 1sqy n THR 657 Cb 0.38 0.26 -0.10 0.00 -1.55 0.00 0.00 70.33 69.32 1sqy n THR 657 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1sqy s THR 658 N -2.32 2.68 0.46 1.09 -4.23 -1.26 -4.27 115.64 107.78 1sqy s THR 658 Ca 0.31 -2.07 0.13 0.00 -1.18 0.00 0.00 61.69 58.88 1sqy s THR 658 Cb 0.20 -2.35 0.23 0.00 1.34 0.00 0.00 72.50 71.92 1sqy s THR 658 CO 0.45 -0.23 2.05 0.10 -0.54 0.00 0.00 174.62 176.45 1sqy h TYR 659 N 2.70 0.14 -0.23 3.99 -0.00 -1.89 -0.29 116.97 121.40 1sqy h TYR 659 Ca -0.44 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.24 1sqy h TYR 659 Cb 1.23 -0.05 -0.01 0.00 -0.00 0.00 0.00 36.73 37.90 1sqy h TYR 659 CO 0.72 0.17 -0.02 0.93 -0.00 0.00 0.00 178.16 179.96 1sqy h GLU 660 N 0.15 0.41 -0.24 0.10 5.08 -1.95 0.33 114.58 118.46 1sqy h GLU 660 Ca 0.04 -0.14 -0.17 0.00 -1.00 0.00 0.00 59.36 58.08 1sqy h GLU 660 Cb 0.13 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1sqy h GLU 660 CO 0.00 0.61 -0.54 0.87 -1.00 0.00 0.00 179.01 178.95 1sqy h LYS 661 N 0.16 0.70 -0.05 2.33 1.57 -1.85 -1.00 116.57 118.44 1sqy h LYS 661 Ca 0.06 -0.44 -0.03 0.00 -1.87 0.00 0.00 60.65 58.37 1sqy h LYS 661 Cb 0.44 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1sqy h LYS 661 CO 0.02 1.06 -0.08 -0.92 -0.57 0.00 0.00 179.45 178.95 1sqy h TYR 662 N 0.54 0.19 -0.15 -1.35 3.20 -0.99 -3.30 116.97 115.11 1sqy h TYR 662 Ca 0.01 -0.06 -0.20 0.00 3.14 0.00 0.00 58.73 61.61 1sqy h TYR 662 Cb 1.12 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.35 1sqy h TYR 662 CO 0.06 0.66 -0.73 -0.07 -1.64 0.00 0.00 178.16 176.44 1sqy h LEU 663 N -0.33 0.79 0.00 2.82 3.38 -1.00 -3.49 115.31 117.48 1sqy h LEU 663 Ca 0.00 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1sqy h LEU 663 Cb 0.64 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1sqy h LEU 663 CO 0.02 1.28 0.00 0.61 0.09 0.00 0.00 178.44 180.44 1sqy n GLY 664 N 0.59 2.32 0.33 0.83 0.00 -0.38 -4.57 105.19 104.31 1sqy n GLY 664 Ca -0.06 -1.63 0.02 0.00 0.00 0.00 0.00 46.02 44.35 1sqy n GLY 664 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1sqy h PRO 665 N 0.00 0.95 -0.01 1.61 0.11 -1.91 -1.74 132.00 131.02 1sqy h PRO 665 Ca 0.00 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1sqy h PRO 665 Cb 0.00 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 30.89 1sqy h PRO 665 CO 0.00 0.63 -0.00 1.96 -0.21 0.00 0.00 178.00 180.38 1sqy h GLN 666 N 0.98 0.01 -0.81 1.05 7.50 -1.96 -2.16 115.11 119.73 1sqy h GLN 666 Ca 0.40 -0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.51 1sqy h GLN 666 Cb 0.23 -0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.72 1sqy h GLN 666 CO -0.19 0.33 0.36 -0.92 -1.50 0.00 0.00 178.83 176.91 1sqy h TYR 667 N -0.31 1.19 -0.51 2.96 3.20 -1.76 -1.41 116.97 120.34 1sqy h TYR 667 Ca 0.00 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.71 1sqy h TYR 667 Cb 0.33 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1sqy h TYR 667 CO 0.04 0.87 -0.05 0.28 -1.64 0.00 0.00 178.16 177.66 1sqy h VAL 668 N 1.16 1.26 -0.68 1.81 2.07 -1.31 -1.82 116.25 118.74 1sqy h VAL 668 Ca 0.27 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1sqy h VAL 668 Cb 0.16 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1sqy h VAL 668 CO -0.03 0.40 0.39 0.00 0.02 0.00 0.00 177.57 178.35 1sqy h ALA 669 N 1.12 0.87 -0.24 1.67 0.00 -1.01 -1.15 119.26 120.52 1sqy h ALA 669 Ca 0.14 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1sqy h ALA 669 Cb 0.56 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1sqy h ALA 669 CO 0.03 0.36 0.09 0.78 0.00 0.00 0.00 179.25 180.51 1sqy h GLY 670 N 0.93 0.29 1.28 0.00 0.00 -0.69 -1.87 103.07 103.02 1sqy h GLY 670 Ca 0.24 -0.05 -0.17 0.00 0.00 0.00 0.00 47.33 47.35 1sqy h GLY 670 CO -0.04 0.03 -0.50 -2.22 0.00 0.00 0.00 176.54 173.82 1sqy h ILE 671 N 0.20 1.29 -0.93 2.60 2.04 -1.15 -2.71 117.51 118.84 1sqy h ILE 671 Ca 0.10 -1.70 0.07 0.00 1.00 0.00 0.00 64.86 64.33 1sqy h ILE 671 Cb 0.06 1.61 -0.07 0.00 -0.74 0.00 0.00 36.82 37.69 1sqy h ILE 671 CO -0.10 0.55 0.59 0.74 0.00 0.00 0.00 178.15 179.93 1sqy h THR 672 N 0.60 1.06 -0.14 -0.27 2.02 -0.97 -0.88 112.91 114.32 1sqy h THR 672 Ca 0.03 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1sqy h THR 672 Cb 1.07 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1sqy h THR 672 CO 0.11 0.20 0.03 0.78 0.37 0.00 0.00 175.52 177.01 1sqy h ASN 673 N 1.07 0.21 -0.19 4.18 2.35 -1.21 -2.86 115.58 119.14 1sqy h ASN 673 Ca 0.41 -0.23 0.06 0.00 -0.55 0.00 0.00 56.30 55.98 1sqy h ASN 673 Cb 0.18 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1sqy h ASN 673 CO -0.18 0.39 0.14 -0.07 -1.65 0.00 0.00 177.43 176.06 1sqy h LEU 674 N 0.03 0.00 -0.67 1.61 3.38 -1.08 -2.14 115.31 116.44 1sqy h LEU 674 Ca 0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1sqy h LEU 674 Cb 0.26 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1sqy h LEU 674 CO 0.00 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.64 1sqy h LYS 675 N 0.01 0.00 0.00 1.13 1.79 -0.94 -2.93 116.57 115.63 1sqy h LYS 675 Ca 0.09 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.52 1sqy h LYS 675 Cb 0.36 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1sqy h LYS 675 CO -0.00 0.00 -0.22 0.87 -1.08 0.00 0.00 179.45 179.02 1sqy h LYS 676 N 0.00 0.00 0.00 3.15 1.79 -1.39 -2.45 116.57 117.67 1sqy h LYS 676 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1sqy h LYS 676 Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1sqy h LYS 676 CO 0.00 0.22 0.00 0.00 -1.08 0.00 0.00 179.45 178.59 1sqy n SER 678 N -2.34 0.00 -4.24 0.00 3.41 -0.92 -5.05 113.62 104.48 1sqy n SER 678 Ca 0.05 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.51 1sqy n SER 678 Cb 0.40 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.25 1sqy n SER 678 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1sqy s THR 679 N -1.88 1.14 0.62 6.66 -4.23 -1.26 -4.49 115.64 112.20 1sqy s THR 679 Ca 0.00 -1.98 -0.10 0.00 -1.18 0.00 0.00 61.69 58.43 1sqy s THR 679 Cb 0.00 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.05 1sqy s THR 679 CO 0.00 -0.70 1.01 -0.94 -0.54 0.00 0.00 174.62 173.44 1sqy s SER 680 N -3.02 6.10 0.33 3.99 1.04 -1.26 -4.95 113.70 115.92 1sqy s SER 680 Ca 0.15 1.30 0.03 0.00 0.48 0.00 0.00 55.95 57.90 1sqy s SER 680 Cb 0.01 -2.34 0.57 0.00 0.10 0.00 0.00 66.02 64.36 1sqy s SER 680 CO 0.00 -0.91 1.88 -0.65 0.98 0.00 0.00 173.24 174.55 1sqy h PRO 681 N -0.30 0.63 -0.45 4.02 0.11 -2.01 -2.33 132.00 131.67 1sqy h PRO 681 Ca -0.45 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 65.54 1sqy h PRO 681 Cb 1.20 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1sqy h PRO 681 CO 0.62 0.59 0.27 1.25 -0.21 0.00 0.00 178.00 180.52 1sqy h LEU 682 N 0.62 0.55 -1.32 2.35 5.85 -1.97 0.10 115.31 121.49 1sqy h LEU 682 Ca 0.14 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1sqy h LEU 682 Cb 0.26 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1sqy h LEU 682 CO -0.00 0.45 0.26 0.25 -0.34 0.00 0.00 178.44 179.06 1sqy h LEU 683 N 0.60 0.65 -0.57 2.25 5.85 -1.88 -0.05 115.31 122.15 1sqy h LEU 683 Ca 0.16 -0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.68 1sqy h LEU 683 Cb 0.01 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1sqy h LEU 683 CO -0.03 0.55 -0.48 -0.08 -0.34 0.00 0.00 178.44 178.06 1sqy h GLU 684 N 0.73 0.59 -0.28 1.25 4.81 -0.82 -2.14 114.58 118.71 1sqy h GLU 684 Ca 0.18 -0.33 -0.04 0.00 -0.13 0.00 0.00 59.36 59.04 1sqy h GLU 684 Cb 0.07 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1sqy h GLU 684 CO -0.03 0.94 0.01 0.00 -0.73 0.00 0.00 179.01 179.20 1sqy h ALA 685 N 1.01 0.38 0.00 2.92 0.00 0.45 -2.93 119.26 121.09 1sqy h ALA 685 Ca 0.03 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1sqy h ALA 685 Cb 1.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1sqy h ALA 685 CO 0.09 0.11 -0.31 0.00 0.00 0.00 0.00 179.25 179.15 1sqy h GLU 687 N 0.00 0.79 -0.38 0.00 4.57 -1.22 -2.51 114.58 115.83 1sqy h GLU 687 Ca -0.00 -0.29 -0.11 0.00 -1.18 0.00 0.00 59.36 57.78 1sqy h GLU 687 Cb 0.78 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1sqy h GLU 687 CO 0.04 0.90 -0.20 0.35 -1.18 0.00 0.00 179.01 178.91 1sqy h PHE 688 N 0.70 0.93 0.00 0.92 3.57 -1.29 -2.96 116.94 118.82 1sqy h PHE 688 Ca 0.11 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 1sqy h PHE 688 Cb 0.65 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1sqy h PHE 688 CO 0.03 0.99 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.94 1sqy h LEU 689 N 0.60 0.00 0.00 0.59 3.38 -1.26 -3.17 115.31 115.46 1sqy h LEU 689 Ca 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1sqy h LEU 689 Cb 0.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1sqy h LEU 689 CO 0.06 0.10 -1.00 0.03 0.09 0.00 0.00 178.44 177.72 1sqy h ARG 690 N 0.00 0.00 0.00 1.13 2.47 -1.44 -3.51 114.38 113.03 1sqy h ARG 690 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1sqy h ARG 690 Cb 0.83 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.15 1sqy h ARG 690 CO 0.01 0.12 0.00 1.63 0.56 0.00 0.00 179.97 182.29