#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n76 s ARG 3 N 0.00 1.11 -0.38 5.56 3.00 -1.26 -4.99 118.95 122.00 1n76 s ARG 3 Ca 0.00 -0.11 0.06 0.00 -1.00 0.00 0.00 55.73 54.68 1n76 s ARG 3 Cb 0.00 -1.27 0.27 0.00 0.00 0.00 0.00 34.95 33.95 1n76 s ARG 3 CO 0.00 -0.25 1.24 0.54 0.00 0.00 0.00 175.30 176.83 1n76 n ARG 4 N 4.88 0.77 0.00 5.12 1.74 -1.26 -5.09 116.66 122.82 1n76 n ARG 4 Ca -0.12 -1.40 0.00 0.00 -0.77 0.00 0.00 57.85 55.56 1n76 n ARG 4 Cb 0.50 -0.18 0.00 0.00 -1.02 0.00 0.00 32.46 31.76 1n76 n ARG 4 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1n76 n SER 5 N -0.34 0.00 -4.73 0.55 2.88 -1.26 -4.97 113.62 105.75 1n76 n SER 5 Ca -0.09 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.09 1n76 n SER 5 Cb 0.76 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.13 1n76 n SER 5 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1n76 s VAL 6 N 0.00 4.83 -0.39 2.46 1.01 -1.23 -4.83 120.40 122.24 1n76 s VAL 6 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 1n76 s VAL 6 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.29 1n76 s VAL 6 CO 0.00 0.56 0.38 -1.10 0.00 0.00 0.00 175.10 174.94 1n76 s GLN 7 N -0.52 3.23 -0.45 2.72 -0.21 -1.26 0.75 119.66 123.92 1n76 s GLN 7 Ca 0.10 -0.70 -0.16 0.00 0.02 0.00 0.00 55.36 54.63 1n76 s GLN 7 Cb -0.12 -3.91 0.05 0.00 1.00 0.00 0.00 33.01 30.03 1n76 s GLN 7 CO 0.02 -0.71 0.38 -0.46 -2.12 0.00 0.00 175.29 172.40 1n76 s TRP 8 N 1.99 3.23 0.23 0.91 -0.11 -1.08 0.72 118.94 124.83 1n76 s TRP 8 Ca 0.10 -0.78 -0.30 0.00 1.22 0.00 0.00 56.10 56.34 1n76 s TRP 8 Cb -0.17 -2.99 -0.09 0.00 -1.50 0.00 0.00 33.47 28.71 1n76 s TRP 8 CO 0.12 -0.74 1.30 0.00 -4.62 0.00 0.00 176.95 173.02 1n76 s THR 10 N -0.20 2.41 -0.06 0.00 2.01 -0.97 -4.81 115.64 114.02 1n76 s THR 10 Ca 0.55 -1.78 0.09 0.00 0.31 0.00 0.00 61.69 60.86 1n76 s THR 10 Cb -0.37 -2.96 0.14 0.00 0.01 0.00 0.00 72.50 69.32 1n76 s THR 10 CO 0.41 -0.06 1.07 1.33 -0.69 0.00 0.00 174.62 176.69 1n76 n VAL 11 N -1.15 0.90 -3.64 3.82 0.24 -1.25 -2.16 118.33 115.09 1n76 n VAL 11 Ca -0.02 -1.08 -0.03 0.00 -2.04 0.00 0.00 64.34 61.16 1n76 n VAL 11 Cb 0.64 0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 33.11 1n76 n VAL 11 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1n76 s SER 12 N -1.90 -0.09 0.08 -1.34 1.04 -1.17 -4.28 113.70 106.04 1n76 s SER 12 Ca 0.15 0.12 -0.28 0.00 0.48 0.00 0.00 55.95 56.42 1n76 s SER 12 Cb 0.13 0.11 -0.17 0.00 0.10 0.00 0.00 66.02 66.20 1n76 s SER 12 CO 0.01 -0.06 1.68 -0.61 0.98 0.00 0.00 173.24 175.24 1n76 h GLN 13 N 2.49 -0.47 -0.89 4.02 4.15 -1.98 0.65 115.11 123.07 1n76 h GLN 13 Ca -0.15 0.03 0.20 0.00 0.77 0.00 0.00 58.65 59.50 1n76 h GLN 13 Cb 1.19 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 28.92 1n76 h GLN 13 CO 0.21 -0.31 0.59 -1.35 -1.93 0.00 0.00 178.83 176.04 1n76 h PRO 14 N -0.49 0.38 -0.01 -2.39 0.11 -2.00 -0.89 132.00 126.71 1n76 h PRO 14 Ca -0.05 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.87 1n76 h PRO 14 Cb 0.38 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 1n76 h PRO 14 CO 0.07 0.25 -0.78 1.49 -0.21 0.00 0.00 178.00 178.83 1n76 h GLU 15 N 0.39 0.11 -0.07 1.05 4.81 -1.17 -2.98 114.58 116.72 1n76 h GLU 15 Ca 0.46 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 59.45 1n76 h GLU 15 Cb 1.17 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1n76 h GLU 15 CO -0.17 0.83 -0.56 0.00 -0.73 0.00 0.00 179.01 178.38 1n76 h ALA 16 N 1.14 0.94 -0.18 2.92 0.00 0.15 -2.73 119.26 121.49 1n76 h ALA 16 Ca -0.02 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 1n76 h ALA 16 Cb 1.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1n76 h ALA 16 CO 0.11 0.70 -0.29 1.15 0.00 0.00 0.00 179.25 180.91 1n76 h THR 17 N 0.16 1.27 -0.01 0.00 2.02 -1.15 -0.40 112.91 114.79 1n76 h THR 17 Ca -0.00 -1.29 -0.19 0.00 0.77 0.00 0.00 66.41 65.70 1n76 h THR 17 Cb 1.03 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 1n76 h THR 17 CO 0.08 0.40 -0.83 0.50 0.37 0.00 0.00 175.52 176.04 1n76 h LYS 18 N 0.32 0.24 -0.32 6.66 3.64 -1.54 -1.76 116.57 123.81 1n76 h LYS 18 Ca 0.04 -0.24 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 1n76 h LYS 18 Cb 0.68 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1n76 h LYS 18 CO 0.05 0.94 0.06 0.00 -2.27 0.00 0.00 179.45 178.23 1n76 h PHE 20 N 0.36 0.56 -0.19 0.00 0.04 -1.05 -1.42 116.94 115.24 1n76 h PHE 20 Ca 0.10 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 1n76 h PHE 20 Cb 0.34 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1n76 h PHE 20 CO 0.02 0.52 0.06 1.96 -0.60 0.00 0.00 178.31 180.27 1n76 h GLN 21 N 0.53 0.29 -0.41 1.51 4.20 -0.84 -1.75 115.11 118.65 1n76 h GLN 21 Ca 0.12 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.78 1n76 h GLN 21 Cb 0.27 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1n76 h GLN 21 CO 0.00 0.39 0.27 2.35 -0.67 0.00 0.00 178.83 181.18 1n76 h TRP 22 N 0.14 0.51 -0.24 2.96 7.01 -1.07 -0.19 115.95 125.07 1n76 h TRP 22 Ca 0.06 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.03 1n76 h TRP 22 Cb 0.21 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 1n76 h TRP 22 CO -0.00 0.32 -0.01 0.37 -2.79 0.00 0.00 178.44 176.32 1n76 h GLN 23 N 0.55 0.43 0.00 2.65 4.15 -0.43 -2.68 115.11 119.77 1n76 h GLN 23 Ca 0.15 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1n76 h GLN 23 Cb -0.04 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1n76 h GLN 23 CO -0.03 0.62 -0.33 2.89 -1.93 0.00 0.00 178.83 180.05 1n76 n ARG 24 N -4.63 0.28 0.15 1.69 1.85 -0.56 -2.74 116.66 112.71 1n76 n ARG 24 Ca -0.04 0.15 0.05 0.00 -1.00 0.00 0.00 57.85 57.01 1n76 n ARG 24 Cb 0.25 -1.74 0.05 0.00 -1.05 0.00 0.00 32.46 29.97 1n76 n ARG 24 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 1n76 h ASN 25 N 0.00 0.00 -0.11 2.89 2.35 -1.00 -2.28 115.58 117.43 1n76 h ASN 25 Ca 0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 1n76 h ASN 25 Cb 0.74 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.12 1n76 h ASN 25 CO 0.00 0.37 -0.44 0.24 -1.65 0.00 0.00 177.43 175.95 1n76 h MET 26 N 0.00 0.49 -0.24 0.81 2.86 -1.33 -2.88 114.93 114.64 1n76 h MET 26 Ca -0.01 -0.39 -0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1n76 h MET 26 Cb 1.29 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.02 1n76 h MET 26 CO 0.05 1.01 0.13 0.00 1.06 0.00 0.00 176.91 179.16 1n76 h ARG 27 N 0.09 0.32 0.00 1.72 3.08 -1.54 -2.04 114.38 116.01 1n76 h ARG 27 Ca -0.02 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1n76 h ARG 27 Cb 1.08 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 1n76 h ARG 27 CO 0.09 0.24 -0.14 -0.09 -1.07 0.00 0.00 179.97 179.00 1n76 h ARG 28 N 0.33 0.00 0.00 0.04 9.65 -1.19 -2.74 114.38 120.47 1n76 h ARG 28 Ca 0.09 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1n76 h ARG 28 Cb 0.01 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1n76 h ARG 28 CO -0.01 0.14 -0.00 0.28 2.80 0.00 0.00 179.97 183.18 1n76 n VAL 29 N -3.85 1.27 -1.95 0.20 0.31 -0.88 -4.98 118.33 108.44 1n76 n VAL 29 Ca -0.02 -1.38 -0.18 0.00 -0.01 0.00 0.00 64.34 62.75 1n76 n VAL 29 Cb 0.24 0.27 -0.04 0.00 -0.91 0.00 0.00 33.84 33.41 1n76 n VAL 29 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1n76 n ARG 30 N -0.79 -1.32 -0.65 5.55 5.12 -0.85 -4.97 116.66 118.76 1n76 n ARG 30 Ca 0.05 0.97 0.00 0.00 -1.93 0.00 0.00 57.85 56.94 1n76 n ARG 30 Cb 0.37 -5.34 0.00 0.00 -1.16 0.00 0.00 32.46 26.33 1n76 n ARG 30 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1n76 n GLY 31 N -0.93 2.40 3.67 -0.13 0.00 -0.83 -5.03 105.19 104.34 1n76 n GLY 31 Ca -0.19 -2.10 -0.51 0.00 0.00 0.00 0.00 46.02 43.22 1n76 n GLY 31 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1n76 n PRO 32 N -0.51 1.71 -1.28 1.61 -0.02 -1.26 -4.70 135.00 130.55 1n76 n PRO 32 Ca 0.00 0.62 -0.31 0.00 -2.02 0.00 0.00 63.50 61.80 1n76 n PRO 32 Cb 0.00 -2.37 0.10 0.00 -0.02 0.00 0.00 33.50 31.21 1n76 n PRO 32 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1n76 s PRO 33 N 2.38 2.12 -0.30 0.52 0.02 -1.26 -4.83 135.00 133.65 1n76 s PRO 33 Ca 0.89 1.08 -0.04 0.00 0.02 0.00 0.00 61.00 62.95 1n76 s PRO 33 Cb -0.83 -1.89 0.17 0.00 0.02 0.00 0.00 34.50 31.97 1n76 s PRO 33 CO 0.50 -1.71 0.63 0.54 -0.33 0.00 0.00 177.00 176.63 1n76 s VAL 34 N -2.93 -0.98 1.10 3.83 0.11 -1.26 -3.53 120.40 116.75 1n76 s VAL 34 Ca 0.61 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.48 1n76 s VAL 34 Cb -0.17 -1.00 0.26 0.00 -1.53 0.00 0.00 36.38 33.94 1n76 s VAL 34 CO 0.56 0.00 1.23 -0.94 -3.33 0.00 0.00 175.10 172.62 1n76 s SER 35 N 2.87 1.83 -0.00 3.54 1.04 0.23 -4.64 113.70 118.56 1n76 s SER 35 Ca 0.13 0.37 -0.00 0.00 0.48 0.00 0.00 55.95 56.93 1n76 s SER 35 Cb -0.14 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.54 1n76 s SER 35 CO -0.20 -3.54 0.01 0.00 0.98 0.00 0.00 173.24 170.49 1n76 s ILE 37 N 0.11 2.57 -0.23 0.00 -1.09 -1.17 -4.92 121.20 116.47 1n76 s ILE 37 Ca -0.01 -2.02 0.02 0.00 -2.23 0.00 0.00 60.65 56.41 1n76 s ILE 37 Cb -0.01 -2.27 0.05 0.00 -1.58 0.00 0.00 42.46 38.65 1n76 s ILE 37 CO -0.00 -0.17 -0.14 -0.54 -1.23 0.00 0.00 174.94 172.86 1n76 s LYS 38 N -2.88 2.46 0.44 2.79 1.02 -1.26 -2.29 119.74 120.02 1n76 s LYS 38 Ca 0.23 -1.12 0.03 0.00 0.02 0.00 0.00 55.97 55.13 1n76 s LYS 38 Cb -0.08 -2.73 -0.02 0.00 -0.52 0.00 0.00 37.83 34.48 1n76 s LYS 38 CO 0.12 -0.44 0.10 1.03 -0.92 0.00 0.00 175.35 175.24 1n76 s ARG 39 N 1.20 2.01 0.00 1.68 1.81 -0.92 -4.95 118.95 119.77 1n76 s ARG 39 Ca -0.04 -2.24 0.10 0.00 -1.72 0.00 0.00 55.73 51.84 1n76 s ARG 39 Cb -0.17 -0.84 -0.01 0.00 -0.45 0.00 0.00 34.95 33.47 1n76 s ARG 39 CO -0.08 -0.45 0.62 -0.25 -0.68 0.00 0.00 175.30 174.46 1n76 n ASP 40 N -1.31 1.16 -3.48 0.23 8.00 -1.26 -3.05 116.55 116.84 1n76 n ASP 40 Ca -0.09 -1.08 -0.13 0.00 0.71 0.00 0.00 54.79 54.20 1n76 n ASP 40 Cb 0.65 0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 42.25 1n76 n ASP 40 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1n76 s SER 41 N -1.46 -0.53 0.26 -2.24 1.04 -1.26 -4.79 113.70 104.72 1n76 s SER 41 Ca 0.08 0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.71 1n76 s SER 41 Cb 0.08 0.51 0.53 0.00 0.10 0.00 0.00 66.02 67.24 1n76 s SER 41 CO 0.28 -0.74 1.73 -0.65 0.98 0.00 0.00 173.24 174.83 1n76 h PRO 42 N 2.31 0.45 -0.18 4.02 0.11 -1.93 -1.27 132.00 135.51 1n76 h PRO 42 Ca -0.28 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.72 1n76 h PRO 42 Cb 1.24 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1n76 h PRO 42 CO 0.36 0.30 -0.26 0.82 -0.21 0.00 0.00 178.00 179.01 1n76 h ILE 43 N 0.47 1.26 -0.23 4.15 1.08 -1.99 -1.33 117.51 120.92 1n76 h ILE 43 Ca 0.45 -1.21 -0.13 0.00 -0.39 0.00 0.00 64.86 63.59 1n76 h ILE 43 Cb 0.72 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.87 1n76 h ILE 43 CO -0.43 0.37 -0.39 1.56 -0.69 0.00 0.00 178.15 178.58 1n76 h GLN 44 N 0.31 0.52 0.00 2.37 4.20 -1.67 -2.06 115.11 118.77 1n76 h GLN 44 Ca 0.05 -0.26 -0.07 0.00 0.06 0.00 0.00 58.65 58.42 1n76 h GLN 44 Cb 0.63 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1n76 h GLN 44 CO 0.05 0.83 -0.35 0.00 -0.67 0.00 0.00 178.83 178.68 1n76 h ILE 46 N 0.00 0.83 0.15 0.00 2.04 -0.81 -2.33 117.51 117.40 1n76 h ILE 46 Ca -0.00 -1.86 -0.30 0.00 1.00 0.00 0.00 64.86 63.70 1n76 h ILE 46 Cb 1.01 2.18 0.01 0.00 -0.74 0.00 0.00 36.82 39.28 1n76 h ILE 46 CO 0.05 0.42 -1.43 1.56 0.00 0.00 0.00 178.15 178.75 1n76 h GLN 47 N 0.00 0.32 -0.02 2.37 4.20 -1.12 -3.00 115.11 117.86 1n76 h GLN 47 Ca -0.00 -0.54 0.01 0.00 0.06 0.00 0.00 58.65 58.17 1n76 h GLN 47 Cb 1.15 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 1n76 h GLN 47 CO 0.06 1.22 -0.01 0.00 -0.67 0.00 0.00 178.83 179.42 1n76 h ALA 48 N 0.45 0.00 0.00 3.87 0.00 -0.72 -1.78 119.26 121.07 1n76 h ALA 48 Ca -0.21 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1n76 h ALA 48 Cb 2.03 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.85 1n76 h ALA 48 CO 0.20 -0.51 -0.10 0.82 0.00 0.00 0.00 179.25 179.66 1n76 h ILE 49 N -0.02 1.04 0.00 0.00 2.04 -1.53 -1.61 117.51 117.43 1n76 h ILE 49 Ca 0.01 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 1n76 h ILE 49 Cb 0.04 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1n76 h ILE 49 CO -0.03 0.10 -0.34 0.00 0.00 0.00 0.00 178.15 177.88 1n76 h ALA 50 N 1.90 0.94 -0.96 1.87 0.00 -1.18 -3.18 119.26 118.65 1n76 h ALA 50 Ca -0.00 -0.31 -0.60 0.00 0.00 0.00 0.00 54.91 54.00 1n76 h ALA 50 Cb 0.18 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 17.53 1n76 h ALA 50 CO 0.01 0.43 -0.36 -0.85 0.00 0.00 0.00 179.25 178.48 1n76 n GLU 51 N -3.42 3.35 -1.09 0.00 0.28 -1.02 -4.95 120.64 113.79 1n76 n GLU 51 Ca 0.00 -4.02 -0.08 0.00 -0.16 0.00 0.00 57.16 52.90 1n76 n GLU 51 Cb 0.53 -2.28 -0.03 0.00 1.43 0.00 0.00 31.44 31.09 1n76 n GLU 51 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1n76 n ASN 52 N -0.70 -2.73 -0.43 -1.84 3.02 -1.20 -4.73 115.26 106.66 1n76 n ASN 52 Ca 0.47 0.19 0.13 0.00 -0.03 0.00 0.00 54.58 55.34 1n76 n ASN 52 Cb 0.81 -2.45 0.34 0.00 -0.61 0.00 0.00 39.78 37.87 1n76 n ASN 52 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1n76 n ARG 53 N -1.13 1.29 -3.92 3.52 1.74 -0.63 -4.94 116.66 112.59 1n76 n ARG 53 Ca -0.08 -0.86 -0.09 0.00 -0.77 0.00 0.00 57.85 56.05 1n76 n ARG 53 Cb 0.31 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.25 1n76 n ARG 53 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n76 s ALA 54 N -2.30 -0.47 -0.05 7.54 0.00 -1.08 -4.87 121.76 120.53 1n76 s ALA 54 Ca 0.28 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 1n76 s ALA 54 Cb 0.20 0.91 -0.03 0.00 0.00 0.00 0.00 23.12 24.20 1n76 s ALA 54 CO 0.45 -0.93 -0.05 -0.25 0.00 0.00 0.00 175.76 174.98 1n76 n ASP 55 N -0.89 2.65 -3.67 0.00 9.92 0.22 -4.24 116.55 120.55 1n76 n ASP 55 Ca -0.04 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.08 1n76 n ASP 55 Cb 0.60 -0.09 -0.07 0.00 -0.64 0.00 0.00 41.12 40.92 1n76 n ASP 55 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1n76 s ALA 56 N -2.09 -1.09 -0.27 2.24 0.00 -0.98 -4.41 121.76 115.16 1n76 s ALA 56 Ca -0.06 0.53 -0.21 0.00 0.00 0.00 0.00 51.96 52.21 1n76 s ALA 56 Cb 0.02 0.18 0.07 0.00 0.00 0.00 0.00 23.12 23.40 1n76 s ALA 56 CO 0.10 -0.37 0.70 0.54 0.00 0.00 0.00 175.76 176.72 1n76 s VAL 57 N -1.82 -0.00 0.26 0.00 0.11 -1.21 -1.87 120.40 115.87 1n76 s VAL 57 Ca -0.09 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.66 1n76 s VAL 57 Cb -0.02 -0.98 -0.09 0.00 -1.53 0.00 0.00 36.38 33.76 1n76 s VAL 57 CO 0.02 0.00 1.08 -0.89 -3.33 0.00 0.00 175.10 171.98 1n76 s THR 58 N 0.83 3.64 -0.02 5.04 2.01 -1.26 -2.38 115.64 123.50 1n76 s THR 58 Ca -0.04 1.61 -0.07 0.00 0.31 0.00 0.00 61.69 63.50 1n76 s THR 58 Cb -0.05 -4.02 0.01 0.00 0.01 0.00 0.00 72.50 68.44 1n76 s THR 58 CO -0.07 0.37 0.16 -0.76 -0.69 0.00 0.00 174.62 173.63 1n76 s LEU 59 N -1.21 1.46 0.59 4.42 1.43 -1.12 -4.95 118.68 119.29 1n76 s LEU 59 Ca 0.45 -0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.35 1n76 s LEU 59 Cb -0.31 0.68 -0.04 0.00 0.03 0.00 0.00 46.19 46.56 1n76 s LEU 59 CO 0.39 -0.29 1.08 -0.62 0.23 0.00 0.00 176.35 177.14 1n76 s ASP 60 N -0.97 5.68 0.26 2.29 2.15 -1.26 -1.82 116.67 123.00 1n76 s ASP 60 Ca -0.11 1.93 -0.11 0.00 0.43 0.00 0.00 52.55 54.69 1n76 s ASP 60 Cb -0.06 -2.55 0.39 0.00 -0.30 0.00 0.00 42.92 40.40 1n76 s ASP 60 CO 0.01 -1.24 1.56 1.23 -0.17 0.00 0.00 175.17 176.56 1n76 h GLY 61 N 0.58 0.53 0.70 2.66 0.00 -1.86 0.36 103.07 106.04 1n76 h GLY 61 Ca -0.48 0.37 0.06 0.00 0.00 0.00 0.00 47.33 47.29 1n76 h GLY 61 CO 0.57 -0.33 0.48 -1.33 0.00 0.00 0.00 176.54 175.94 1n76 h GLY 62 N -0.00 1.20 -0.13 4.60 0.00 -1.87 0.72 103.07 107.59 1n76 h GLY 62 Ca 0.43 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1n76 h GLY 62 CO -0.99 0.22 0.00 0.69 0.00 0.00 0.00 176.54 176.46 1n76 n PHE 63 N -4.67 0.08 0.05 5.60 3.72 0.11 -3.16 117.46 119.19 1n76 n PHE 63 Ca 0.11 -0.04 -0.20 0.00 -0.05 0.00 0.00 57.45 57.27 1n76 n PHE 63 Cb 0.18 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.58 1n76 n PHE 63 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1n76 h ILE 64 N 1.38 1.46 -0.03 4.37 2.04 0.52 -2.82 117.51 124.43 1n76 h ILE 64 Ca 0.00 -2.54 0.03 0.00 1.00 0.00 0.00 64.86 63.36 1n76 h ILE 64 Cb 0.30 3.16 -0.06 0.00 -0.74 0.00 0.00 36.82 39.48 1n76 h ILE 64 CO 0.00 0.72 -0.40 0.22 0.00 0.00 0.00 178.15 178.69 1n76 h TYR 65 N -0.34 -1.14 0.00 1.37 3.20 -1.47 -1.58 116.97 117.01 1n76 h TYR 65 Ca -0.16 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 1n76 h TYR 65 Cb 1.68 0.51 -0.00 0.00 1.54 0.00 0.00 36.73 40.45 1n76 h TYR 65 CO 0.19 -0.48 -0.08 0.93 -1.64 0.00 0.00 178.16 177.08 1n76 h GLU 66 N -0.54 0.00 0.00 1.82 4.39 -1.66 -0.81 114.58 117.78 1n76 h GLU 66 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1n76 h GLU 66 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1n76 h GLU 66 CO -0.33 0.08 -0.14 0.00 -1.16 0.00 0.00 179.01 177.46 1n76 n ALA 67 N -2.48 2.43 0.26 3.43 0.00 -0.86 -3.45 120.51 119.84 1n76 n ALA 67 Ca -0.03 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.45 1n76 n ALA 67 Cb 0.16 -1.40 0.26 0.00 0.00 0.00 0.00 19.45 18.47 1n76 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n76 n GLY 68 N 1.32 1.71 3.97 0.00 0.00 -0.31 -2.03 105.19 109.85 1n76 n GLY 68 Ca 0.05 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 1n76 n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n76 s LEU 69 N -1.30 3.41 0.00 0.99 1.43 -1.22 -4.08 118.68 117.91 1n76 s LEU 69 Ca 0.40 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1n76 s LEU 69 Cb 0.22 -2.92 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1n76 s LEU 69 CO 0.30 -0.99 0.00 0.00 0.23 0.00 0.00 176.35 175.90 1n76 n ALA 70 N -2.22 0.00 0.17 4.21 0.00 -1.26 -1.48 120.51 119.94 1n76 n ALA 70 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 1n76 n ALA 70 Cb 0.59 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 1n76 n ALA 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1n76 h PRO 71 N 0.00 -0.44 0.00 0.00 0.11 -1.97 -3.40 132.00 126.30 1n76 h PRO 71 Ca 0.00 0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 1n76 h PRO 71 Cb 0.00 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1n76 h PRO 71 CO 0.00 -0.12 -0.25 1.88 -0.21 0.00 0.00 178.00 179.30 1n76 h TYR 72 N -0.83 0.00 -5.98 0.65 0.05 -1.54 -3.49 116.97 105.83 1n76 h TYR 72 Ca -0.05 0.00 -0.42 0.00 0.05 0.00 0.00 58.73 58.32 1n76 h TYR 72 Cb 0.52 0.00 0.09 0.00 1.01 0.00 0.00 36.73 38.35 1n76 h TYR 72 CO 0.02 0.99 -0.72 1.63 -1.05 0.00 0.00 178.16 179.04 1n76 n LYS 73 N -4.59 -6.95 -1.09 4.88 5.02 -0.95 -4.87 118.16 109.61 1n76 n LYS 73 Ca -0.13 0.75 -0.29 0.00 -2.02 0.00 0.00 58.31 56.61 1n76 n LYS 73 Cb 0.48 -5.73 0.21 0.00 -0.02 0.00 0.00 35.03 29.97 1n76 n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1n76 s LEU 74 N -7.17 1.04 0.08 -0.35 1.43 -0.86 -4.21 118.68 108.63 1n76 s LEU 74 Ca 0.52 0.90 -0.17 0.00 -1.03 0.00 0.00 54.13 54.34 1n76 s LEU 74 Cb -0.24 -2.82 0.04 0.00 0.03 0.00 0.00 46.19 43.19 1n76 s LEU 74 CO 0.76 -3.73 0.41 0.00 0.23 0.00 0.00 176.35 174.03 1n76 s ARG 75 N -5.17 0.98 -0.15 1.70 1.70 -0.56 -4.50 118.95 112.95 1n76 s ARG 75 Ca 0.68 -0.50 -0.28 0.00 -0.47 0.00 0.00 55.73 55.16 1n76 s ARG 75 Cb -0.14 0.44 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 1n76 s ARG 75 CO 0.57 -0.36 0.98 -2.14 -1.08 0.00 0.00 175.30 173.27 1n76 s PRO 76 N -3.00 4.35 -0.00 3.89 0.02 -1.26 -1.44 135.00 137.55 1n76 s PRO 76 Ca -0.02 1.30 0.14 0.00 0.02 0.00 0.00 61.00 62.44 1n76 s PRO 76 Cb 0.00 -3.58 -0.16 0.00 0.02 0.00 0.00 34.50 30.78 1n76 s PRO 76 CO -0.06 -0.40 0.56 1.33 -0.33 0.00 0.00 177.00 178.09 1n76 n VAL 77 N 4.80 0.00 -3.50 3.83 0.24 -0.59 -4.73 118.33 118.39 1n76 n VAL 77 Ca 0.09 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1n76 n VAL 77 Cb 0.48 0.87 -0.04 0.00 -1.47 0.00 0.00 33.84 33.68 1n76 n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1n76 s ALA 78 N -2.44 -2.47 0.16 2.33 0.00 -1.15 -2.80 121.76 115.40 1n76 s ALA 78 Ca 0.04 2.15 0.01 0.00 0.00 0.00 0.00 51.96 54.16 1n76 s ALA 78 Cb 0.10 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 1n76 s ALA 78 CO 0.59 -0.87 0.32 0.00 0.00 0.00 0.00 175.76 175.80 1n76 s ALA 79 N 2.42 3.91 0.49 0.00 0.00 -1.00 -0.94 121.76 126.65 1n76 s ALA 79 Ca -0.04 -0.92 -0.15 0.00 0.00 0.00 0.00 51.96 50.85 1n76 s ALA 79 Cb -0.07 -1.89 -0.08 0.00 0.00 0.00 0.00 23.12 21.09 1n76 s ALA 79 CO -0.18 0.53 0.94 -1.21 0.00 0.00 0.00 175.76 175.84 1n76 s GLU 80 N -3.19 3.92 -0.07 0.00 2.02 -0.75 -2.10 118.70 118.53 1n76 s GLU 80 Ca 0.36 0.85 0.05 0.00 0.02 0.00 0.00 54.97 56.26 1n76 s GLU 80 Cb -0.11 -2.19 -0.01 0.00 0.10 0.00 0.00 34.13 31.91 1n76 s GLU 80 CO 0.29 -0.22 -0.23 0.08 0.02 0.00 0.00 175.26 175.20 1n76 s VAL 81 N -2.56 2.24 0.44 2.63 1.01 0.15 -4.60 120.40 119.71 1n76 s VAL 81 Ca 0.57 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1n76 s VAL 81 Cb -0.10 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 1n76 s VAL 81 CO 0.31 0.57 0.03 -1.22 0.00 0.00 0.00 175.10 174.79 1n76 n TYR 82 N 3.01 0.87 -4.10 5.22 0.53 -0.61 -1.48 117.16 120.60 1n76 n TYR 82 Ca -0.18 -2.30 0.00 0.00 -1.02 0.00 0.00 57.90 54.40 1n76 n TYR 82 Cb 0.52 -0.24 0.00 0.00 -1.03 0.00 0.00 39.34 38.59 1n76 n TYR 82 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1n76 n GLY 83 N -0.52 -0.05 3.78 2.72 0.00 -1.26 -1.60 105.19 108.27 1n76 n GLY 83 Ca -0.16 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 1n76 n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n76 s THR 84 N 0.00 2.97 0.32 2.61 -4.23 -1.11 -4.79 115.64 111.41 1n76 s THR 84 Ca 0.00 -1.57 0.24 0.00 -1.18 0.00 0.00 61.69 59.18 1n76 s THR 84 Cb 0.00 -3.03 0.24 0.00 1.34 0.00 0.00 72.50 71.06 1n76 s THR 84 CO 0.00 -0.12 1.95 -0.33 -0.54 0.00 0.00 174.62 175.58 1n76 h GLU 85 N 1.38 0.00 0.02 3.99 5.08 -1.99 -1.01 114.58 122.05 1n76 h GLU 85 Ca -0.43 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.67 1n76 h GLU 85 Cb 1.25 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.52 1n76 h GLU 85 CO 0.62 0.19 -1.04 0.00 -1.00 0.00 0.00 179.01 177.79 1n76 h ARG 86 N 0.00 0.58 -2.64 2.33 3.08 -1.99 -3.39 114.38 112.35 1n76 h ARG 86 Ca -0.00 -0.65 -0.60 0.00 0.07 0.00 0.00 59.98 58.80 1n76 h ARG 86 Cb 0.52 0.19 -0.39 0.00 0.08 0.00 0.00 29.97 30.37 1n76 h ARG 86 CO 0.03 1.26 -0.83 -0.65 -1.07 0.00 0.00 179.97 178.70 1n76 s GLN 87 N -3.25 1.35 0.27 0.04 -0.21 -0.49 -5.12 119.66 112.25 1n76 s GLN 87 Ca -0.08 -2.38 -0.29 0.00 0.02 0.00 0.00 55.36 52.62 1n76 s GLN 87 Cb 0.07 -2.06 -0.09 0.00 1.00 0.00 0.00 33.01 31.93 1n76 s GLN 87 CO 0.90 -1.32 0.99 -2.14 -2.12 0.00 0.00 175.29 171.60 1n76 s PRO 88 N -0.25 4.74 0.15 2.91 0.02 -0.56 -2.73 135.00 139.28 1n76 s PRO 88 Ca 0.28 1.57 0.03 0.00 0.02 0.00 0.00 61.00 62.90 1n76 s PRO 88 Cb -0.03 -3.18 -0.05 0.00 0.02 0.00 0.00 34.50 31.27 1n76 s PRO 88 CO -0.15 0.38 -0.05 -0.98 -0.33 0.00 0.00 177.00 175.86 1n76 s ARG 89 N -1.40 1.06 -0.26 5.54 1.70 -0.62 -4.97 118.95 119.99 1n76 s ARG 89 Ca 0.44 -1.48 0.09 0.00 -0.47 0.00 0.00 55.73 54.31 1n76 s ARG 89 Cb -0.27 -0.44 0.44 0.00 -0.57 0.00 0.00 34.95 34.11 1n76 s ARG 89 CO 0.34 -0.02 1.24 0.25 -1.08 0.00 0.00 175.30 176.03 1n76 n THR 90 N -0.20 2.41 -3.55 4.99 -2.24 -1.26 -1.58 114.28 112.85 1n76 n THR 90 Ca -0.09 -3.66 -0.16 0.00 -2.27 0.00 0.00 64.05 57.87 1n76 n THR 90 Cb 0.62 -0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 68.11 1n76 n THR 90 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1n76 s HIS 91 N -3.42 -0.54 0.32 4.78 -3.43 -1.26 -2.54 115.29 109.19 1n76 s HIS 91 Ca 0.45 0.79 0.03 0.00 -0.80 0.00 0.00 55.06 55.52 1n76 s HIS 91 Cb 0.39 0.37 -0.04 0.00 -1.43 0.00 0.00 32.58 31.87 1n76 s HIS 91 CO -0.01 -0.62 0.11 1.52 -2.00 0.00 0.00 174.74 173.74 1n76 s TYR 92 N -1.79 1.70 -0.08 0.38 1.13 -0.36 -4.89 117.35 113.43 1n76 s TYR 92 Ca -0.09 -1.21 -0.00 0.00 -1.41 0.00 0.00 57.07 54.36 1n76 s TYR 92 Cb -0.01 -1.02 -0.03 0.00 -1.10 0.00 0.00 41.96 39.80 1n76 s TYR 92 CO 0.04 -0.31 -0.05 0.71 -2.51 0.00 0.00 175.55 173.43 1n76 s TYR 93 N -3.51 3.00 -0.21 -3.49 2.02 -1.26 -1.55 117.35 112.35 1n76 s TYR 93 Ca 0.34 0.04 -0.19 0.00 -0.37 0.00 0.00 57.07 56.89 1n76 s TYR 93 Cb 0.06 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1n76 s TYR 93 CO 0.15 0.34 0.53 0.00 -1.57 0.00 0.00 175.55 175.00 1n76 s ALA 94 N -0.73 3.55 0.11 3.71 0.00 -1.10 -2.92 121.76 124.37 1n76 s ALA 94 Ca 0.11 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1n76 s ALA 94 Cb -0.11 -2.85 -0.00 0.00 0.00 0.00 0.00 23.12 20.16 1n76 s ALA 94 CO 0.02 -0.51 0.01 1.33 0.00 0.00 0.00 175.76 176.61 1n76 n VAL 95 N 4.67 0.00 -3.63 0.00 0.24 0.02 -1.67 118.33 117.96 1n76 n VAL 95 Ca -0.04 -0.56 -0.29 0.00 -2.04 0.00 0.00 64.34 61.41 1n76 n VAL 95 Cb 0.50 0.14 -0.15 0.00 -1.47 0.00 0.00 33.84 32.86 1n76 n VAL 95 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1n76 s ALA 96 N -2.22 0.95 -0.18 2.33 0.00 -1.26 -2.74 121.76 118.64 1n76 s ALA 96 Ca 0.02 -1.16 -0.16 0.00 0.00 0.00 0.00 51.96 50.66 1n76 s ALA 96 Cb 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 1n76 s ALA 96 CO 0.01 -1.55 0.39 0.08 0.00 0.00 0.00 175.76 174.69 1n76 s VAL 97 N 1.92 5.22 0.48 0.00 1.01 -0.22 -1.83 120.40 126.97 1n76 s VAL 97 Ca 0.07 0.72 0.04 0.00 0.00 0.00 0.00 61.98 62.82 1n76 s VAL 97 Cb -0.17 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1n76 s VAL 97 CO -0.27 0.29 0.11 0.68 0.00 0.00 0.00 175.10 175.91 1n76 s VAL 98 N 1.01 1.63 0.56 2.92 -7.23 -0.82 -2.08 120.40 116.38 1n76 s VAL 98 Ca 0.20 -1.85 -0.05 0.00 -1.81 0.00 0.00 61.98 58.47 1n76 s VAL 98 Cb -0.14 -2.48 -0.00 0.00 0.56 0.00 0.00 36.38 34.32 1n76 s VAL 98 CO 0.07 0.00 0.86 -0.75 -0.31 0.00 0.00 175.10 174.97 1n76 s LYS 99 N -3.92 3.04 -0.37 4.82 2.20 -1.26 -2.60 119.74 121.65 1n76 s LYS 99 Ca 0.23 -0.02 -0.22 0.00 -0.36 0.00 0.00 55.97 55.60 1n76 s LYS 99 Cb 0.03 -2.32 0.01 0.00 -1.51 0.00 0.00 37.83 34.04 1n76 s LYS 99 CO 0.13 -0.57 0.70 0.15 -0.36 0.00 0.00 175.35 175.40 1n76 s LYS 100 N -4.90 3.66 0.00 4.03 1.02 -0.74 -4.55 119.74 118.25 1n76 s LYS 100 Ca 0.52 0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.62 1n76 s LYS 100 Cb -0.10 -3.83 0.00 0.00 -0.52 0.00 0.00 37.83 33.38 1n76 s LYS 100 CO 0.44 -0.82 0.00 0.41 -0.92 0.00 0.00 175.35 174.46 1n76 n GLY 101 N 4.67 -0.76 3.45 -3.33 0.00 -1.26 -5.03 105.19 102.93 1n76 n GLY 101 Ca 0.00 0.37 -0.31 0.00 0.00 0.00 0.00 46.02 46.08 1n76 n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n76 n GLY 102 N 0.00 -1.74 2.62 -0.02 0.00 -1.26 -4.95 105.19 99.84 1n76 n GLY 102 Ca 0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 1n76 n GLY 102 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n76 n SER 103 N -2.81 3.25 -4.86 1.61 7.64 -1.26 -5.06 113.62 112.13 1n76 n SER 103 Ca 0.06 -3.41 -0.21 0.00 1.01 0.00 0.00 58.87 56.32 1n76 n SER 103 Cb 0.55 -0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1n76 n SER 103 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1n76 s PHE 104 N -3.19 2.73 0.00 1.43 -0.12 -1.26 -5.14 117.98 112.43 1n76 s PHE 104 Ca 0.44 -0.47 0.00 0.00 -0.05 0.00 0.00 56.93 56.84 1n76 s PHE 104 Cb 0.34 -2.11 0.00 0.00 -0.63 0.00 0.00 43.02 40.63 1n76 s PHE 104 CO -0.11 -0.06 0.00 1.04 -0.05 0.00 0.00 175.22 176.04 1n76 n GLN 105 N -1.50 1.13 0.18 1.99 1.13 -1.26 -4.96 117.38 114.08 1n76 n GLN 105 Ca 0.03 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.12 1n76 n GLN 105 Cb 0.62 0.00 0.34 0.00 0.11 0.00 0.00 30.24 31.30 1n76 n GLN 105 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1n76 h LEU 106 N 0.00 0.00 0.00 1.08 5.85 -1.91 -2.33 115.31 118.00 1n76 h LEU 106 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1n76 h LEU 106 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1n76 h LEU 106 CO 0.00 0.42 -0.20 -0.46 -0.34 0.00 0.00 178.44 177.86 1n76 n ASN 107 N -3.87 0.41 -2.33 1.25 0.23 -1.26 -3.97 115.26 105.73 1n76 n ASN 107 Ca -0.01 0.31 -0.34 0.00 -0.53 0.00 0.00 54.58 54.01 1n76 n ASN 107 Cb 0.47 -0.32 0.07 0.00 -2.08 0.00 0.00 39.78 37.92 1n76 n ASN 107 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1n76 n GLU 108 N -1.79 2.82 0.00 -3.83 1.02 -0.88 -4.68 120.64 113.31 1n76 n GLU 108 Ca 0.06 -3.43 0.13 0.00 -0.02 0.00 0.00 57.16 53.90 1n76 n GLU 108 Cb 0.38 -2.29 0.33 0.00 -0.02 0.00 0.00 31.44 29.84 1n76 n GLU 108 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1n76 n LEU 109 N -0.87 1.23 -4.75 -4.62 4.77 -1.25 -4.67 117.00 106.84 1n76 n LEU 109 Ca 0.60 -0.36 -0.41 0.00 -0.03 0.00 0.00 56.01 55.81 1n76 n LEU 109 Cb 0.67 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 1n76 n LEU 109 CO 0.73 0.23 0.82 -1.58 -1.33 0.00 0.00 177.39 176.26 1n76 s GLN 110 N -2.46 4.58 0.00 3.23 0.74 -1.26 -2.46 119.66 122.03 1n76 s GLN 110 Ca 0.24 1.81 0.00 0.00 0.05 0.00 0.00 55.36 57.46 1n76 s GLN 110 Cb 0.19 -3.23 0.00 0.00 1.10 0.00 0.00 33.01 31.08 1n76 s GLN 110 CO 0.51 0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.75 1n76 n GLY 111 N 1.70 0.89 3.89 2.59 0.00 -0.21 -4.99 105.19 109.06 1n76 n GLY 111 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1n76 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n76 s LEU 112 N 0.00 3.08 -0.11 0.99 1.02 -1.03 -4.40 118.68 118.24 1n76 s LEU 112 Ca 0.00 -0.97 -0.01 0.00 0.02 0.00 0.00 54.13 53.17 1n76 s LEU 112 Cb 0.00 -1.64 -0.03 0.00 0.02 0.00 0.00 46.19 44.54 1n76 s LEU 112 CO 0.00 -0.88 -0.05 -0.54 0.02 0.00 0.00 176.35 174.90 1n76 s LYS 113 N -4.22 3.19 0.25 1.70 1.02 -1.26 -2.08 119.74 118.33 1n76 s LYS 113 Ca 0.44 -0.53 0.12 0.00 0.02 0.00 0.00 55.97 56.02 1n76 s LYS 113 Cb -0.02 -2.75 -0.05 0.00 -0.52 0.00 0.00 37.83 34.49 1n76 s LYS 113 CO 0.26 0.48 -0.21 -1.54 -0.92 0.00 0.00 175.35 173.42 1n76 s SER 114 N -0.29 3.51 -0.36 2.83 1.04 -1.08 0.83 113.70 120.18 1n76 s SER 114 Ca 0.05 -0.98 0.01 0.00 0.48 0.00 0.00 55.95 55.50 1n76 s SER 114 Cb -0.13 -0.28 0.12 0.00 0.10 0.00 0.00 66.02 65.83 1n76 s SER 114 CO 0.02 0.06 0.16 0.00 0.98 0.00 0.00 173.24 174.46 1n76 s HIS 116 N 1.08 3.34 0.02 0.00 3.76 -1.15 -1.78 115.29 120.57 1n76 s HIS 116 Ca 0.13 0.08 -0.16 0.00 -0.15 0.00 0.00 55.06 54.97 1n76 s HIS 116 Cb -0.20 -1.89 -0.35 0.00 1.11 0.00 0.00 32.58 31.24 1n76 s HIS 116 CO -0.13 0.11 0.96 1.79 -0.85 0.00 0.00 174.74 176.61 1n76 h THR 117 N 0.85 1.25 0.00 1.30 1.35 -1.75 -3.42 112.91 112.48 1n76 h THR 117 Ca -0.49 -2.68 0.00 0.00 -0.55 0.00 0.00 66.41 62.70 1n76 h THR 117 Cb 1.24 3.02 0.00 0.00 -1.73 0.00 0.00 68.15 70.68 1n76 h THR 117 CO 0.58 0.81 0.00 0.61 -0.25 0.00 0.00 175.52 177.28 1n76 n GLY 118 N 1.73 0.33 3.82 5.82 0.00 -1.26 -2.46 105.19 113.17 1n76 n GLY 118 Ca -0.18 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 1n76 n GLY 118 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1n76 s LEU 119 N 0.00 4.39 -0.49 0.99 2.96 -0.63 -3.70 118.68 122.19 1n76 s LEU 119 Ca 0.00 1.34 0.00 0.00 -0.22 0.00 0.00 54.13 55.25 1n76 s LEU 119 Cb 0.00 -3.39 0.00 0.00 0.50 0.00 0.00 46.19 43.30 1n76 s LEU 119 CO 0.00 0.10 0.00 0.54 -1.32 0.00 0.00 176.35 175.67 1n76 n ARG 120 N 0.96 -1.84 -1.76 1.98 1.74 -1.26 -4.97 116.66 111.50 1n76 n ARG 120 Ca -0.04 0.59 -0.29 0.00 -0.77 0.00 0.00 57.85 57.33 1n76 n ARG 120 Cb 0.51 -4.82 0.14 0.00 -1.02 0.00 0.00 32.46 27.27 1n76 n ARG 120 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1n76 s ARG 121 N -2.17 1.13 -0.06 5.56 1.81 -1.24 -4.14 118.95 119.85 1n76 s ARG 121 Ca 0.00 -0.02 -0.02 0.00 -1.72 0.00 0.00 55.73 53.98 1n76 s ARG 121 Cb 0.00 -1.87 -0.01 0.00 -0.45 0.00 0.00 34.95 32.63 1n76 s ARG 121 CO 0.00 -2.14 -0.03 1.15 -0.68 0.00 0.00 175.30 173.60 1n76 h THR 122 N -1.45 0.00 0.00 0.02 2.02 -1.93 0.50 112.91 112.07 1n76 h THR 122 Ca -0.46 -0.48 -0.07 0.00 0.77 0.00 0.00 66.41 66.16 1n76 h THR 122 Cb 1.30 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1n76 h THR 122 CO 0.54 0.00 -0.36 0.00 0.37 0.00 0.00 175.52 176.08 1n76 h ALA 123 N -1.52 0.92 0.14 6.16 0.00 -1.92 -1.81 119.26 121.23 1n76 h ALA 123 Ca 0.00 -0.32 -0.34 0.00 0.00 0.00 0.00 54.91 54.25 1n76 h ALA 123 Cb 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1n76 h ALA 123 CO 0.00 0.44 -1.74 0.78 0.00 0.00 0.00 179.25 178.73 1n76 h GLY 124 N 2.44 0.34 0.00 0.00 0.00 -1.72 -3.40 103.07 100.73 1n76 h GLY 124 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 46.46 1n76 h GLY 124 CO 0.05 0.76 -0.26 1.87 0.00 0.00 0.00 176.54 178.96 1n76 n TRP 125 N -3.49 -0.48 -0.07 5.60 -0.00 -1.07 -4.33 117.44 113.61 1n76 n TRP 125 Ca -0.23 0.09 0.09 0.00 -0.00 0.00 0.00 57.50 57.44 1n76 n TRP 125 Cb 1.06 0.16 0.47 0.00 -0.00 0.00 0.00 31.31 33.00 1n76 n TRP 125 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1n76 h ASN 126 N 0.00 0.42 0.01 5.87 2.35 -0.79 -1.23 115.58 122.20 1n76 h ASN 126 Ca 0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.58 1n76 h ASN 126 Cb 0.26 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1n76 h ASN 126 CO 0.00 0.27 -0.96 0.58 -1.65 0.00 0.00 177.43 175.67 1n76 h VAL 127 N 0.47 1.15 -0.94 2.81 2.07 -1.58 -3.21 116.25 117.03 1n76 h VAL 127 Ca 0.25 -2.25 0.01 0.00 0.82 0.00 0.00 66.70 65.53 1n76 h VAL 127 Cb 0.36 2.58 -0.05 0.00 -1.52 0.00 0.00 31.29 32.66 1n76 h VAL 127 CO -0.07 0.43 0.62 -0.65 0.02 0.00 0.00 177.57 177.93 1n76 h PRO 128 N -0.92 1.24 0.00 1.57 0.11 -1.73 -1.35 132.00 130.92 1n76 h PRO 128 Ca -0.26 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 65.65 1n76 h PRO 128 Cb 1.28 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1n76 h PRO 128 CO -0.13 0.82 -0.61 0.82 -0.21 0.00 0.00 178.00 178.69 1n76 h ILE 129 N 1.27 1.42 -0.13 4.15 1.08 -1.40 -2.30 117.51 121.60 1n76 h ILE 129 Ca 0.35 -2.10 -0.18 0.00 -0.39 0.00 0.00 64.86 62.54 1n76 h ILE 129 Cb -0.15 2.14 -0.00 0.00 -3.07 0.00 0.00 36.82 35.74 1n76 h ILE 129 CO -0.08 0.60 -0.66 1.23 -0.69 0.00 0.00 178.15 178.55 1n76 h GLY 130 N 1.87 0.57 2.00 5.37 0.00 -1.32 -2.56 103.07 108.99 1n76 h GLY 130 Ca -0.01 -0.74 -0.13 0.00 0.00 0.00 0.00 47.33 46.46 1n76 h GLY 130 CO 0.08 0.66 -0.60 -0.84 0.00 0.00 0.00 176.54 175.84 1n76 h THR 131 N 0.37 1.12 -0.73 4.70 2.02 -1.19 -3.14 112.91 116.06 1n76 h THR 131 Ca -0.02 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1n76 h THR 131 Cb 1.22 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 70.01 1n76 h THR 131 CO 0.12 0.58 0.00 0.18 0.37 0.00 0.00 175.52 176.77 1n76 n LEU 132 N -3.38 4.16 -0.27 2.58 4.77 -0.87 -4.63 117.00 119.36 1n76 n LEU 132 Ca 0.01 -2.09 -0.02 0.00 -0.03 0.00 0.00 56.01 53.88 1n76 n LEU 132 Cb 0.71 -0.52 0.16 0.00 -2.33 0.00 0.00 43.42 41.45 1n76 n LEU 132 CO 0.41 0.96 1.17 -0.09 -1.33 0.00 0.00 177.39 178.52 1n76 h ARG 133 N 4.32 1.11 -0.66 3.23 2.43 -1.41 -1.70 114.38 121.69 1n76 h ARG 133 Ca 0.00 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1n76 h ARG 133 Cb 1.09 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 1n76 h ARG 133 CO 0.05 0.81 0.33 -1.35 -1.51 0.00 0.00 179.97 178.30 1n76 h PRO 134 N 1.12 0.93 0.00 0.20 0.11 -1.86 -2.09 132.00 130.42 1n76 h PRO 134 Ca 0.29 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 1n76 h PRO 134 Cb 0.01 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 30.94 1n76 h PRO 134 CO -0.05 0.70 -0.08 0.74 -0.21 0.00 0.00 178.00 179.11 1n76 h PHE 135 N 0.93 0.00 0.00 0.65 0.04 -1.65 -3.30 116.94 113.61 1n76 h PHE 135 Ca 0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.00 1n76 h PHE 135 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1n76 h PHE 135 CO 0.01 0.08 0.00 -0.07 -0.60 0.00 0.00 178.31 177.73 1n76 h LEU 136 N 0.00 0.00 -1.72 1.54 3.38 -1.14 -3.47 115.31 113.90 1n76 h LEU 136 Ca -0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1n76 h LEU 136 Cb 0.68 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 1n76 h LEU 136 CO 0.01 0.00 -0.87 0.59 0.09 0.00 0.00 178.44 178.27 1n76 n ASN 137 N -2.93 -1.10 -4.76 -0.43 3.02 -1.24 -4.94 115.26 102.87 1n76 n ASN 137 Ca 0.01 -0.97 -0.40 0.00 -0.03 0.00 0.00 54.58 53.20 1n76 n ASN 137 Cb 0.33 -3.17 -0.05 0.00 -0.61 0.00 0.00 39.78 36.28 1n76 n ASN 137 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1n76 s TRP 138 N -3.80 3.81 -0.61 3.10 -0.00 -1.26 -4.97 118.94 115.21 1n76 s TRP 138 Ca 0.15 1.53 0.25 0.00 -0.00 0.00 0.00 56.10 58.02 1n76 s TRP 138 Cb -0.08 -2.78 0.49 0.00 -0.00 0.00 0.00 33.47 31.10 1n76 s TRP 138 CO 0.88 0.38 1.52 1.79 -0.00 0.00 0.00 176.95 181.52 1n76 h THR 139 N 3.78 0.00 0.00 5.86 1.35 -1.95 -3.47 112.91 118.48 1n76 h THR 139 Ca -0.45 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 1n76 h THR 139 Cb 1.21 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1n76 h THR 139 CO 0.69 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 1n76 n GLY 140 N 1.28 0.96 0.00 5.82 0.00 -1.26 -4.76 105.19 107.23 1n76 n GLY 140 Ca 0.04 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1n76 n GLY 140 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1n76 n PRO 141 N -0.53 0.00 0.00 1.61 -0.02 -1.26 -4.17 135.00 130.62 1n76 n PRO 141 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1n76 n PRO 141 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1n76 n PRO 141 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1n76 n PRO 142 N 0.00 0.00 -1.53 0.52 -0.02 -1.26 -4.36 135.00 128.35 1n76 n PRO 142 Ca 0.00 0.00 -0.57 0.00 -2.02 0.00 0.00 63.50 60.91 1n76 n PRO 142 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.40 1n76 n PRO 142 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1n76 n GLU 143 N -1.25 0.79 -1.88 -0.52 2.13 -1.26 -4.93 120.64 113.72 1n76 n GLU 143 Ca 0.00 0.26 -0.37 0.00 0.66 0.00 0.00 57.16 57.71 1n76 n GLU 143 Cb 0.00 -2.04 0.04 0.00 0.27 0.00 0.00 31.44 29.71 1n76 n GLU 143 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1n76 s PRO 144 N 4.91 2.96 0.46 5.31 0.02 -1.26 -4.78 135.00 142.62 1n76 s PRO 144 Ca 1.07 2.02 0.12 0.00 0.02 0.00 0.00 61.00 64.23 1n76 s PRO 144 Cb -1.13 -2.04 1.05 0.00 0.02 0.00 0.00 34.50 32.40 1n76 s PRO 144 CO 0.62 -1.27 2.08 0.97 -0.33 0.00 0.00 177.00 179.07 1n76 h ILE 145 N 1.03 1.03 -0.67 2.83 -0.00 -1.91 -2.49 117.51 117.32 1n76 h ILE 145 Ca -0.51 -0.11 0.16 0.00 -0.00 0.00 0.00 64.86 64.41 1n76 h ILE 145 Cb 1.31 0.69 -0.04 0.00 -0.00 0.00 0.00 36.82 38.78 1n76 h ILE 145 CO 0.56 0.06 0.46 -0.33 -0.00 0.00 0.00 178.15 178.90 1n76 h GLU 146 N 0.32 0.20 -0.11 2.19 3.07 -1.98 -0.84 114.58 117.42 1n76 h GLU 146 Ca 0.11 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 58.82 1n76 h GLU 146 Cb 0.06 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1n76 h GLU 146 CO -0.02 0.13 -0.54 0.00 -1.40 0.00 0.00 179.01 177.17 1n76 h ALA 147 N 1.68 0.86 0.00 3.43 0.00 -1.81 -1.26 119.26 122.15 1n76 h ALA 147 Ca 0.33 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1n76 h ALA 147 Cb 1.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1n76 h ALA 147 CO -0.06 0.69 -0.42 0.00 0.00 0.00 0.00 179.25 179.45 1n76 h ALA 148 N 1.17 0.82 0.06 0.00 0.00 -1.28 -3.08 119.26 116.96 1n76 h ALA 148 Ca 0.00 -0.39 -0.25 0.00 0.00 0.00 0.00 54.91 54.28 1n76 h ALA 148 Cb 1.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1n76 h ALA 148 CO 0.09 0.53 -1.08 0.28 0.00 0.00 0.00 179.25 179.07 1n76 h VAL 149 N 0.00 1.45 -0.06 0.00 2.07 -0.99 -2.68 116.25 116.04 1n76 h VAL 149 Ca -0.00 -2.74 -0.00 0.00 0.82 0.00 0.00 66.70 64.77 1n76 h VAL 149 Cb 1.14 2.67 -0.00 0.00 -1.52 0.00 0.00 31.29 33.57 1n76 h VAL 149 CO 0.06 0.81 0.03 0.00 0.02 0.00 0.00 177.57 178.48 1n76 h ALA 150 N 0.69 1.94 0.00 1.67 0.00 -1.18 -1.33 119.26 121.04 1n76 h ALA 150 Ca -0.10 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1n76 h ALA 150 Cb 1.75 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 1n76 h ALA 150 CO 0.18 0.06 -0.81 0.00 0.00 0.00 0.00 179.25 178.68 1n76 h ARG 151 N 0.09 0.00 0.22 0.00 3.08 -1.47 -3.37 114.38 112.92 1n76 h ARG 151 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1n76 h ARG 151 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1n76 h ARG 151 CO -0.00 0.59 -0.10 0.35 -1.07 0.00 0.00 179.97 179.73 1n76 h PHE 152 N 0.00 -0.27 -3.47 3.04 3.57 -0.94 -3.44 116.94 115.44 1n76 h PHE 152 Ca -0.04 -0.01 -0.53 0.00 3.53 0.00 0.00 57.97 60.92 1n76 h PHE 152 Cb 1.53 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.34 1n76 h PHE 152 CO 0.00 -0.17 0.35 -0.06 -2.23 0.00 0.00 178.31 176.21 1n76 s PHE 153 N -2.56 3.72 0.28 0.41 0.08 -0.74 -1.04 117.98 118.12 1n76 s PHE 153 Ca -0.04 1.72 -0.01 0.00 0.12 0.00 0.00 56.93 58.71 1n76 s PHE 153 Cb 0.00 -3.08 0.46 0.00 -0.57 0.00 0.00 43.02 39.83 1n76 s PHE 153 CO 0.13 0.08 1.88 0.66 -0.10 0.00 0.00 175.22 177.87 1n76 h SER 154 N 6.32 1.00 -4.93 1.36 4.64 -1.62 -3.44 113.55 116.88 1n76 h SER 154 Ca -0.42 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 60.93 1n76 h SER 154 Cb 1.22 -0.20 -0.12 0.00 -0.31 0.00 0.00 62.40 62.98 1n76 h SER 154 CO 0.74 0.63 0.28 0.00 -0.87 0.00 0.00 176.83 177.60 1n76 s ALA 155 N -5.99 -1.63 -0.02 5.18 0.00 -1.26 -4.99 121.76 113.05 1n76 s ALA 155 Ca -0.12 0.56 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 1n76 s ALA 155 Cb 0.20 0.78 0.11 0.00 0.00 0.00 0.00 23.12 24.22 1n76 s ALA 155 CO 0.81 -0.77 1.17 -1.54 0.00 0.00 0.00 175.76 175.43 1n76 s SER 156 N -2.70 -0.12 -0.25 0.00 1.04 -1.20 -2.65 113.70 107.82 1n76 s SER 156 Ca 0.02 -0.15 -0.00 0.00 0.48 0.00 0.00 55.95 56.30 1n76 s SER 156 Cb -0.01 0.24 0.04 0.00 0.10 0.00 0.00 66.02 66.39 1n76 s SER 156 CO -0.11 -0.43 -0.09 0.00 0.98 0.00 0.00 173.24 173.59 1n76 s VAL 158 N 1.26 1.84 0.45 0.00 1.01 -0.02 -2.93 120.40 122.02 1n76 s VAL 158 Ca -0.02 -2.91 -0.22 0.00 0.00 0.00 0.00 61.98 58.83 1n76 s VAL 158 Cb -0.17 -2.28 -0.11 0.00 0.00 0.00 0.00 36.38 33.82 1n76 s VAL 158 CO -0.05 -0.88 0.79 -2.65 0.00 0.00 0.00 175.10 172.30 1n76 n PRO 159 N 3.29 0.93 0.00 2.72 -0.02 -1.26 -1.79 135.00 138.87 1n76 n PRO 159 Ca 0.09 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1n76 n PRO 159 Cb 0.34 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1n76 n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n76 n GLY 160 N 1.48 3.18 3.74 -1.23 0.00 -1.07 -1.61 105.19 109.67 1n76 n GLY 160 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1n76 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n76 s ALA 161 N -1.99 2.18 -0.24 4.61 0.00 -0.74 -4.94 121.76 120.65 1n76 s ALA 161 Ca 0.00 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.38 1n76 s ALA 161 Cb 0.00 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1n76 s ALA 161 CO 0.00 -1.76 1.10 0.34 0.00 0.00 0.00 175.76 175.44 1n76 s ASP 162 N -2.36 7.03 0.32 0.00 2.15 -1.26 -4.90 116.67 117.64 1n76 s ASP 162 Ca 0.70 1.37 0.05 0.00 0.43 0.00 0.00 52.55 55.10 1n76 s ASP 162 Cb -0.25 -2.54 0.53 0.00 -0.30 0.00 0.00 42.92 40.36 1n76 s ASP 162 CO 0.46 -0.74 1.79 0.07 -0.17 0.00 0.00 175.17 176.58 1n76 h LYS 163 N 7.77 0.41 -0.03 4.34 2.10 -1.92 -2.24 116.57 127.00 1n76 h LYS 163 Ca -0.21 -0.13 -0.12 0.00 -2.00 0.00 0.00 60.65 58.19 1n76 h LYS 163 Cb 1.07 -0.04 0.01 0.00 -0.90 0.00 0.00 32.23 32.37 1n76 h LYS 163 CO 0.99 0.59 -0.47 0.78 -2.00 0.00 0.00 179.45 179.34 1n76 h GLY 164 N 0.95 0.41 1.54 0.07 0.00 -1.97 -2.61 103.07 101.46 1n76 h GLY 164 Ca 0.06 -0.66 -0.27 0.00 0.00 0.00 0.00 47.33 46.46 1n76 h GLY 164 CO 0.04 0.59 -1.20 -1.61 0.00 0.00 0.00 176.54 174.35 1n76 h GLN 165 N -0.15 0.36 -2.50 4.80 4.15 -1.99 -3.40 115.11 116.38 1n76 h GLN 165 Ca -0.05 -0.54 -0.60 0.00 0.77 0.00 0.00 58.65 58.23 1n76 h GLN 165 Cb 1.16 0.19 -0.41 0.00 0.21 0.00 0.00 27.48 28.64 1n76 h GLN 165 CO 0.09 1.23 -0.74 1.19 -1.93 0.00 0.00 178.83 178.68 1n76 n PHE 166 N -3.62 2.01 0.24 3.99 3.72 -0.84 -4.93 117.46 118.02 1n76 n PHE 166 Ca -0.09 -3.96 0.11 0.00 -0.05 0.00 0.00 57.45 53.46 1n76 n PHE 166 Cb 0.99 -0.40 0.56 0.00 -0.94 0.00 0.00 39.48 39.69 1n76 n PHE 166 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1n76 h PRO 167 N 4.83 0.00 0.00 -1.08 0.11 -1.66 -2.22 132.00 131.98 1n76 h PRO 167 Ca 0.17 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 1n76 h PRO 167 Cb 0.77 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1n76 h PRO 167 CO 0.65 0.19 -0.26 -0.97 -0.21 0.00 0.00 178.00 177.40 1n76 h ASN 168 N 0.00 0.00 0.10 -2.05 -1.24 -1.91 -2.66 115.58 107.81 1n76 h ASN 168 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1n76 h ASN 168 Cb 0.61 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.66 1n76 h ASN 168 CO 0.02 0.26 -0.01 0.18 -1.29 0.00 0.00 177.43 176.59 1n76 n LEU 169 N -4.01 0.25 -0.09 0.34 4.77 -0.83 -3.22 117.00 114.21 1n76 n LEU 169 Ca -0.02 -0.04 0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1n76 n LEU 169 Cb 0.33 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.40 1n76 n LEU 169 CO 0.36 0.04 0.43 0.00 -1.33 0.00 0.00 177.39 176.89 1n76 h ARG 171 N 0.00 0.66 -0.02 0.00 9.65 -1.42 -3.18 114.38 120.07 1n76 h ARG 171 Ca 0.00 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 1n76 h ARG 171 Cb 0.87 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.37 1n76 h ARG 171 CO 0.00 0.70 -0.10 1.28 2.80 0.00 0.00 179.97 184.64 1n76 n LEU 172 N -4.53 1.91 -4.76 3.80 4.77 -1.09 -4.88 117.00 112.22 1n76 n LEU 172 Ca -0.01 -0.63 -0.39 0.00 -0.03 0.00 0.00 56.01 54.95 1n76 n LEU 172 Cb 0.23 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1n76 n LEU 172 CO 0.39 0.33 1.01 0.00 -1.33 0.00 0.00 177.39 177.79 1n76 n ALA 174 N -0.67 4.86 -1.94 0.00 0.00 -1.26 -4.86 120.51 116.64 1n76 n ALA 174 Ca 0.08 -3.19 -0.28 0.00 0.00 0.00 0.00 53.44 50.06 1n76 n ALA 174 Cb 0.44 -0.95 0.06 0.00 0.00 0.00 0.00 19.45 19.00 1n76 n ALA 174 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1n76 s GLY 175 N -2.31 1.63 -0.26 0.00 0.00 -1.26 -4.64 107.32 100.49 1n76 s GLY 175 Ca 0.50 -0.70 -0.04 0.00 0.00 0.00 0.00 44.72 44.48 1n76 s GLY 175 CO 0.02 -0.30 -0.01 -0.51 0.00 0.00 0.00 173.10 172.31 1n76 s THR 176 N -3.32 3.36 0.00 0.90 -4.23 -1.26 -4.37 115.64 106.73 1n76 s THR 176 Ca 0.59 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 1n76 s THR 176 Cb -0.11 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1n76 s THR 176 CO 0.47 0.22 0.00 0.61 -0.54 0.00 0.00 174.62 175.38 1n76 n GLY 177 N 4.77 2.17 0.25 3.99 0.00 -1.26 -2.43 105.19 112.67 1n76 n GLY 177 Ca -0.16 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.78 1n76 n GLY 177 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n76 n GLU 178 N 6.10 1.33 0.00 1.61 -0.58 -1.26 -3.75 120.64 124.09 1n76 n GLU 178 Ca 0.00 -0.49 0.11 0.00 -0.42 0.00 0.00 57.16 56.36 1n76 n GLU 178 Cb 0.00 -1.43 0.04 0.00 -0.57 0.00 0.00 31.44 29.48 1n76 n GLU 178 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1n76 n ASN 179 N -0.36 1.58 -4.69 1.62 3.02 -1.02 -4.89 115.26 110.52 1n76 n ASN 179 Ca 0.19 -1.25 -0.42 0.00 -0.03 0.00 0.00 54.58 53.07 1n76 n ASN 179 Cb 0.21 0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.88 1n76 n ASN 179 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1n76 s LYS 180 N -2.62 4.30 -0.48 3.52 2.47 -1.25 -3.01 119.74 122.68 1n76 s LYS 180 Ca 0.17 1.84 -0.02 0.00 -1.56 0.00 0.00 55.97 56.39 1n76 s LYS 180 Cb 0.18 -3.59 0.00 0.00 -1.46 0.00 0.00 37.83 32.96 1n76 s LYS 180 CO 0.63 -0.54 0.25 0.00 0.16 0.00 0.00 175.35 175.85 1n76 s ALA 182 N -2.84 3.63 -1.24 0.00 0.00 -1.16 -2.59 121.76 117.56 1n76 s ALA 182 Ca 0.12 -1.10 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 1n76 s ALA 182 Cb -0.05 -1.46 0.19 0.00 0.00 0.00 0.00 23.12 21.79 1n76 s ALA 182 CO 0.15 0.61 2.00 0.34 0.00 0.00 0.00 175.76 178.87 1n76 n PHE 183 N -0.05 2.67 -3.82 0.00 -0.00 -1.26 -4.33 117.46 110.68 1n76 n PHE 183 Ca -0.08 -2.74 -0.05 0.00 -0.00 0.00 0.00 57.45 54.58 1n76 n PHE 183 Cb 0.53 -1.71 0.00 0.00 -0.00 0.00 0.00 39.48 38.30 1n76 n PHE 183 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1n76 s SER 184 N 0.02 -0.10 0.25 -2.13 1.04 -1.26 -4.96 113.70 106.56 1n76 s SER 184 Ca 0.44 -0.70 0.22 0.00 0.48 0.00 0.00 55.95 56.38 1n76 s SER 184 Cb 0.13 0.63 0.98 0.00 0.10 0.00 0.00 66.02 67.86 1n76 s SER 184 CO -0.03 -1.21 1.66 -1.20 0.98 0.00 0.00 173.24 173.44 1n76 n SER 185 N -0.90 0.57 -0.22 7.02 7.64 -1.26 -1.81 113.62 124.65 1n76 n SER 185 Ca -0.05 0.68 -0.07 0.00 1.01 0.00 0.00 58.87 60.43 1n76 n SER 185 Cb 0.60 -0.79 0.06 0.00 -1.01 0.00 0.00 64.21 63.07 1n76 n SER 185 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1n76 h GLN 186 N 0.00 1.08 -6.34 1.43 1.08 -1.92 -3.37 115.11 107.07 1n76 h GLN 186 Ca 0.00 -0.28 -0.58 0.00 -1.45 0.00 0.00 58.65 56.34 1n76 h GLN 186 Cb 0.23 -0.13 -0.08 0.00 -0.05 0.00 0.00 27.48 27.46 1n76 h GLN 186 CO 0.00 0.99 0.76 -2.00 -0.95 0.00 0.00 178.83 177.63 1n76 s GLU 187 N -5.19 3.82 0.37 1.46 2.56 -0.75 -4.86 118.70 116.11 1n76 s GLU 187 Ca -0.12 0.64 0.11 0.00 0.00 0.00 0.00 54.97 55.60 1n76 s GLU 187 Cb 0.14 -3.84 0.89 0.00 2.00 0.00 0.00 34.13 33.33 1n76 s GLU 187 CO 0.85 -1.11 1.87 -1.35 -0.56 0.00 0.00 175.26 174.96 1n76 h PRO 188 N 8.69 0.59 -2.43 4.30 0.11 -1.82 -2.86 132.00 138.58 1n76 h PRO 188 Ca -0.23 -0.04 -0.81 0.00 0.11 0.00 0.00 66.00 65.04 1n76 h PRO 188 Cb 1.07 -0.13 -0.27 0.00 0.11 0.00 0.00 31.00 31.77 1n76 h PRO 188 CO 1.05 0.39 1.00 0.66 -0.21 0.00 0.00 178.00 180.88 1n76 n TYR 189 N -4.55 2.62 -4.76 0.65 4.01 -1.26 -4.46 117.16 109.41 1n76 n TYR 189 Ca 0.17 -2.56 -0.25 0.00 -0.16 0.00 0.00 57.90 55.10 1n76 n TYR 189 Cb 0.51 -1.22 -0.16 0.00 -0.31 0.00 0.00 39.34 38.16 1n76 n TYR 189 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1n76 s PHE 190 N -3.90 1.55 0.18 -0.72 5.36 -1.08 -4.29 117.98 115.08 1n76 s PHE 190 Ca 0.37 -0.40 0.00 0.00 -0.96 0.00 0.00 56.93 55.94 1n76 s PHE 190 Cb 0.15 -1.04 0.00 0.00 -0.34 0.00 0.00 43.02 41.79 1n76 s PHE 190 CO -0.07 -0.12 0.00 0.45 -1.46 0.00 0.00 175.22 174.02 1n76 n SER 191 N 3.05 -3.66 -0.25 6.13 2.88 -1.03 -3.37 113.62 117.37 1n76 n SER 191 Ca -0.17 0.34 -0.02 0.00 -1.33 0.00 0.00 58.87 57.69 1n76 n SER 191 Cb 0.53 -1.92 0.04 0.00 -0.75 0.00 0.00 64.21 62.11 1n76 n SER 191 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1n76 h TYR 192 N -0.58 -0.78 -0.02 0.66 0.05 -1.95 -0.15 116.97 114.20 1n76 h TYR 192 Ca -0.01 0.08 -0.14 0.00 0.05 0.00 0.00 58.73 58.71 1n76 h TYR 192 Cb 0.57 0.45 -0.02 0.00 1.01 0.00 0.00 36.73 38.74 1n76 h TYR 192 CO -0.70 -0.37 -0.61 0.77 -1.05 0.00 0.00 178.16 176.19 1n76 h SER 193 N -0.09 0.09 -0.28 3.88 0.02 -1.95 -2.87 113.55 112.35 1n76 h SER 193 Ca 0.29 -0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 61.02 1n76 h SER 193 Cb 0.56 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1n76 h SER 193 CO -0.76 0.68 -0.46 1.23 -1.14 0.00 0.00 176.83 176.38 1n76 h GLY 194 N 1.72 0.89 2.00 -3.77 0.00 -1.27 -2.54 103.07 100.10 1n76 h GLY 194 Ca -0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 47.33 46.30 1n76 h GLY 194 CO 0.09 0.91 -0.04 0.00 0.00 0.00 0.00 176.54 177.49 1n76 h ALA 195 N 0.68 1.01 0.00 3.60 0.00 -1.07 -2.33 119.26 121.14 1n76 h ALA 195 Ca 0.02 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1n76 h ALA 195 Cb 1.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1n76 h ALA 195 CO 0.11 0.06 -0.96 0.35 0.00 0.00 0.00 179.25 178.80 1n76 h PHE 196 N 0.00 0.00 0.00 0.00 3.57 -1.46 -3.12 116.94 115.92 1n76 h PHE 196 Ca -0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1n76 h PHE 196 Cb 0.58 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1n76 h PHE 196 CO 0.00 0.56 -0.45 -0.22 -2.23 0.00 0.00 178.31 175.98 1n76 h LYS 197 N 0.00 0.00 -0.19 1.11 3.64 -1.22 0.14 116.57 120.05 1n76 h LYS 197 Ca -0.08 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.16 1n76 h LYS 197 Cb 1.50 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.31 1n76 h LYS 197 CO 0.06 0.45 -0.48 0.00 -2.27 0.00 0.00 179.45 177.21 1n76 h LEU 199 N 0.39 0.92 0.22 0.00 5.85 -1.42 -2.50 115.31 118.78 1n76 h LEU 199 Ca 0.02 -0.63 -0.01 0.00 0.84 0.00 0.00 57.88 58.10 1n76 h LEU 199 Cb 0.99 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1n76 h LEU 199 CO 0.09 1.43 -0.10 0.03 -0.34 0.00 0.00 178.44 179.54 1n76 h ARG 200 N 0.51 -0.28 0.00 1.25 3.08 -0.20 -1.02 114.38 117.72 1n76 h ARG 200 Ca -0.06 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1n76 h ARG 200 Cb 1.45 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.57 1n76 h ARG 200 CO 0.17 -0.16 0.00 -0.44 -1.07 0.00 0.00 179.97 178.47 1n76 h ASP 201 N -0.33 0.00 0.00 7.04 3.32 -1.38 -3.45 116.42 121.62 1n76 h ASP 201 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1n76 h ASP 201 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1n76 h ASP 201 CO 0.05 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.18 1n76 n GLY 202 N -0.50 0.50 0.08 2.75 0.00 -0.39 -4.98 105.19 102.65 1n76 n GLY 202 Ca -0.00 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 1n76 n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n76 h ALA 203 N 0.00 -0.05 -1.36 4.61 0.00 -1.67 -3.46 119.26 117.32 1n76 h ALA 203 Ca 0.00 -0.27 -0.45 0.00 0.00 0.00 0.00 54.91 54.19 1n76 h ALA 203 Cb 0.29 0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.14 1n76 h ALA 203 CO 0.00 -0.24 -0.11 0.20 0.00 0.00 0.00 179.25 179.10 1n76 s GLY 204 N -3.31 1.84 -0.08 0.00 0.00 -1.11 -4.92 107.32 99.74 1n76 s GLY 204 Ca -0.16 -1.71 0.09 0.00 0.00 0.00 0.00 44.72 42.94 1n76 s GLY 204 CO 0.64 -1.38 0.07 1.22 0.00 0.00 0.00 173.10 173.66 1n76 n ASP 205 N -2.22 2.56 -4.16 1.64 8.00 0.24 -4.75 116.55 117.86 1n76 n ASP 205 Ca 0.11 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.42 1n76 n ASP 205 Cb 0.60 0.88 -0.13 0.00 -0.02 0.00 0.00 41.12 42.46 1n76 n ASP 205 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1n76 s VAL 206 N -2.33 1.12 -0.22 2.53 0.11 -1.00 -4.30 120.40 116.30 1n76 s VAL 206 Ca -0.05 -1.18 -0.02 0.00 -2.93 0.00 0.00 61.98 57.81 1n76 s VAL 206 Cb 0.04 -1.05 0.07 0.00 -1.53 0.00 0.00 36.38 33.90 1n76 s VAL 206 CO 0.41 -0.13 0.02 0.00 -3.33 0.00 0.00 175.10 172.08 1n76 s ALA 207 N -1.09 1.33 -0.70 1.54 0.00 -0.88 0.12 121.76 122.07 1n76 s ALA 207 Ca -0.00 -1.00 -0.27 0.00 0.00 0.00 0.00 51.96 50.68 1n76 s ALA 207 Cb -0.09 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.75 1n76 s ALA 207 CO 0.02 -1.25 1.35 -0.06 0.00 0.00 0.00 175.76 175.83 1n76 s PHE 208 N 1.70 2.23 0.18 0.00 0.08 -0.73 -1.05 117.98 120.38 1n76 s PHE 208 Ca -0.01 0.12 0.03 0.00 0.12 0.00 0.00 56.93 57.19 1n76 s PHE 208 Cb -0.18 -4.54 -0.01 0.00 -0.57 0.00 0.00 43.02 37.72 1n76 s PHE 208 CO -0.10 -2.07 0.12 0.44 -0.10 0.00 0.00 175.22 173.51 1n76 n ILE 209 N 6.53 0.00 -2.21 0.64 -5.35 -1.11 -4.12 119.36 113.74 1n76 n ILE 209 Ca 0.06 -1.18 -0.26 0.00 -0.27 0.00 0.00 62.75 61.09 1n76 n ILE 209 Cb 0.49 0.54 0.06 0.00 -1.74 0.00 0.00 39.64 38.99 1n76 n ILE 209 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1n76 s ARG 210 N -2.70 2.39 0.16 6.28 3.52 -1.26 -0.80 118.95 126.54 1n76 s ARG 210 Ca 0.16 -0.14 -0.07 0.00 -0.13 0.00 0.00 55.73 55.55 1n76 s ARG 210 Cb 0.01 -2.17 0.00 0.00 -1.56 0.00 0.00 34.95 31.22 1n76 s ARG 210 CO 0.12 -1.12 1.44 1.05 -0.81 0.00 0.00 175.30 175.98 1n76 h GLU 211 N -0.52 0.70 0.00 5.12 9.09 -1.91 -3.24 114.58 123.82 1n76 h GLU 211 Ca -0.45 -0.46 0.00 0.00 0.05 0.00 0.00 59.36 58.50 1n76 h GLU 211 Cb 1.30 0.06 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 1n76 h GLU 211 CO 0.61 1.09 0.00 -1.13 0.05 0.00 0.00 179.01 179.62 1n76 n SER 212 N -3.97 0.00 0.07 3.06 3.41 -1.26 -4.01 113.62 110.92 1n76 n SER 212 Ca -0.04 -0.49 -0.03 0.00 -0.26 0.00 0.00 58.87 58.06 1n76 n SER 212 Cb 0.64 -0.14 0.21 0.00 -0.26 0.00 0.00 64.21 64.66 1n76 n SER 212 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1n76 h THR 213 N 0.00 1.29 0.00 6.66 2.02 -1.96 -1.97 112.91 118.95 1n76 h THR 213 Ca 0.00 -1.44 -0.03 0.00 0.77 0.00 0.00 66.41 65.71 1n76 h THR 213 Cb 0.12 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1n76 h THR 213 CO 0.00 0.44 -0.15 1.62 0.37 0.00 0.00 175.52 177.80 1n76 h VAL 214 N 0.27 0.29 0.00 3.16 3.04 -1.83 -2.90 116.25 118.28 1n76 h VAL 214 Ca 0.03 -1.14 -0.17 0.00 -1.01 0.00 0.00 66.70 64.41 1n76 h VAL 214 Cb 0.78 1.91 -0.03 0.00 -2.01 0.00 0.00 31.29 31.93 1n76 h VAL 214 CO 0.06 0.14 -1.15 -0.26 -1.01 0.00 0.00 177.57 175.36 1n76 h PHE 215 N 0.00 0.00 0.04 3.17 -1.00 -1.72 -3.03 116.94 114.40 1n76 h PHE 215 Ca -0.00 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.56 1n76 h PHE 215 Cb 0.89 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.44 1n76 h PHE 215 CO 0.00 0.67 -1.00 0.93 -1.61 0.00 0.00 178.31 177.30 1n76 h GLU 216 N 0.00 0.17 0.00 1.51 5.08 -1.23 -3.37 114.58 116.74 1n76 h GLU 216 Ca -0.12 -0.23 -0.28 0.00 -1.00 0.00 0.00 59.36 57.74 1n76 h GLU 216 Cb 1.61 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.88 1n76 h GLU 216 CO 0.07 1.03 -2.07 -0.25 -1.00 0.00 0.00 179.01 176.79 1n76 n ASP 217 N -3.55 0.29 -4.68 1.42 8.00 -1.11 -4.88 116.55 112.04 1n76 n ASP 217 Ca -0.04 0.14 -0.36 0.00 0.71 0.00 0.00 54.79 55.23 1n76 n ASP 217 Cb 0.89 0.79 -0.09 0.00 -0.02 0.00 0.00 41.12 42.70 1n76 n ASP 217 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1n76 s LEU 218 N -5.53 4.15 -0.02 0.64 1.43 -1.14 -5.02 118.68 113.18 1n76 s LEU 218 Ca -0.08 0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 53.21 1n76 s LEU 218 Cb 0.08 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 1n76 s LEU 218 CO 0.84 0.07 0.30 0.77 0.23 0.00 0.00 176.35 178.56 1n76 h SER 219 N 7.26 -0.11 -3.93 2.29 4.64 -1.90 -3.45 113.55 118.36 1n76 h SER 219 Ca -0.39 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.48 1n76 h SER 219 Cb 1.16 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 1n76 h SER 219 CO 0.69 0.07 0.27 1.51 -0.87 0.00 0.00 176.83 178.50 1n76 s ASP 220 N -3.70 6.96 0.00 4.97 1.47 -1.26 -4.92 116.67 120.19 1n76 s ASP 220 Ca -0.02 1.59 0.13 0.00 1.18 0.00 0.00 52.55 55.43 1n76 s ASP 220 Cb 0.00 -2.50 0.54 0.00 -0.34 0.00 0.00 42.92 40.63 1n76 s ASP 220 CO 0.06 -0.26 1.41 -1.84 0.68 0.00 0.00 175.17 175.21 1n76 n GLU 221 N -0.33 0.00 0.07 2.11 0.28 -1.26 -2.36 120.64 119.15 1n76 n GLU 221 Ca 0.05 0.28 -0.19 0.00 -0.16 0.00 0.00 57.16 57.14 1n76 n GLU 221 Cb 0.53 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.80 1n76 n GLU 221 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1n76 h ALA 222 N 2.44 0.12 -0.09 -1.84 0.00 -1.99 -3.19 119.26 114.72 1n76 h ALA 222 Ca 0.00 -0.74 -0.12 0.00 0.00 0.00 0.00 54.91 54.05 1n76 h ALA 222 Cb 0.22 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1n76 h ALA 222 CO 0.00 0.74 -0.48 1.49 0.00 0.00 0.00 179.25 181.00 1n76 h GLU 223 N 0.29 0.22 0.00 0.00 4.81 -1.86 -2.90 114.58 115.15 1n76 h GLU 223 Ca -0.14 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 58.92 1n76 h GLU 223 Cb 1.78 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.16 1n76 h GLU 223 CO 0.21 0.66 -0.24 0.00 -0.73 0.00 0.00 179.01 178.91 1n76 h ARG 224 N 0.18 0.00 -0.16 1.92 3.08 -1.63 -2.88 114.38 114.88 1n76 h ARG 224 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1n76 h ARG 224 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1n76 h ARG 224 CO 0.07 0.24 0.00 -0.25 -1.07 0.00 0.00 179.97 178.96 1n76 n ASP 225 N -3.89 0.16 -1.53 7.04 9.92 -1.09 -2.41 116.55 124.75 1n76 n ASP 225 Ca -0.02 -1.62 0.09 0.00 -0.53 0.00 0.00 54.79 52.71 1n76 n ASP 225 Cb 0.33 -0.08 0.35 0.00 -0.64 0.00 0.00 41.12 41.07 1n76 n ASP 225 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1n76 n GLU 226 N -0.38 3.71 -3.92 -1.24 1.02 -1.09 -4.97 120.64 113.78 1n76 n GLU 226 Ca 0.00 -2.87 -0.11 0.00 -0.02 0.00 0.00 57.16 54.16 1n76 n GLU 226 Cb 0.04 -1.88 -0.13 0.00 -0.02 0.00 0.00 31.44 29.46 1n76 n GLU 226 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1n76 s TYR 227 N -1.88 0.11 0.36 -0.32 2.02 -1.01 -1.80 117.35 114.83 1n76 s TYR 227 Ca 0.50 -0.23 0.05 0.00 -0.37 0.00 0.00 57.07 57.02 1n76 s TYR 227 Cb 0.33 -0.08 -0.02 0.00 -0.40 0.00 0.00 41.96 41.78 1n76 s TYR 227 CO 0.24 -0.09 0.17 0.39 -1.57 0.00 0.00 175.55 174.68 1n76 n GLU 228 N 2.39 0.54 -4.96 -0.62 1.02 -1.07 -4.06 120.64 113.88 1n76 n GLU 228 Ca -0.18 -3.20 -0.29 0.00 -0.02 0.00 0.00 57.16 53.48 1n76 n GLU 228 Cb 0.58 1.97 -0.17 0.00 -0.02 0.00 0.00 31.44 33.80 1n76 n GLU 228 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1n76 s LEU 229 N 0.00 1.90 0.19 -4.62 1.43 0.57 -1.95 118.68 116.20 1n76 s LEU 229 Ca 0.24 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 1n76 s LEU 229 Cb 0.01 -1.17 -0.09 0.00 0.03 0.00 0.00 46.19 44.98 1n76 s LEU 229 CO 0.17 0.11 1.40 -0.76 0.23 0.00 0.00 176.35 177.49 1n76 s LEU 230 N 0.47 4.39 0.08 1.79 1.43 -0.76 -3.13 118.68 122.95 1n76 s LEU 230 Ca -0.17 2.48 0.03 0.00 -1.03 0.00 0.00 54.13 55.45 1n76 s LEU 230 Cb -0.17 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 1n76 s LEU 230 CO 0.07 -0.64 0.06 0.00 0.23 0.00 0.00 176.35 176.06 1n76 h PRO 232 N 3.36 0.00 -1.00 0.00 0.11 -1.88 -1.99 132.00 130.59 1n76 h PRO 232 Ca -0.47 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.12 1n76 h PRO 232 Cb 1.16 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.97 1n76 h PRO 232 CO 0.64 0.00 0.66 -0.40 -0.21 0.00 0.00 178.00 178.70 1n76 n ASP 233 N -3.32 3.99 -3.72 -2.05 5.75 -1.26 -4.89 116.55 111.05 1n76 n ASP 233 Ca -0.02 -3.60 -0.23 0.00 -0.01 0.00 0.00 54.79 50.93 1n76 n ASP 233 Cb 0.15 -0.84 0.03 0.00 -1.03 0.00 0.00 41.12 39.42 1n76 n ASP 233 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1n76 n ASN 234 N -1.11 -1.57 -4.04 -1.12 3.02 -0.75 -4.99 115.26 104.70 1n76 n ASN 234 Ca 0.59 -0.86 -0.10 0.00 -0.03 0.00 0.00 54.58 54.17 1n76 n ASN 234 Cb 1.60 -3.87 -0.11 0.00 -0.61 0.00 0.00 39.78 36.78 1n76 n ASN 234 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1n76 s THR 235 N -3.69 0.34 -0.08 3.41 2.01 -1.26 -4.91 115.64 111.47 1n76 s THR 235 Ca 0.06 -1.16 -0.01 0.00 0.31 0.00 0.00 61.69 60.89 1n76 s THR 235 Cb -0.02 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 1n76 s THR 235 CO 0.83 -0.54 -0.03 -0.13 -0.69 0.00 0.00 174.62 174.05 1n76 s ARG 236 N -1.98 2.92 0.08 4.92 0.52 -1.26 -0.83 118.95 123.33 1n76 s ARG 236 Ca -0.09 -0.48 -0.13 0.00 -0.52 0.00 0.00 55.73 54.51 1n76 s ARG 236 Cb -0.07 -2.71 0.02 0.00 0.52 0.00 0.00 34.95 32.71 1n76 s ARG 236 CO -0.02 0.65 0.31 0.15 0.02 0.00 0.00 175.30 176.41 1n76 s LYS 237 N -0.76 0.91 1.00 3.54 3.01 -1.18 -4.94 119.74 121.31 1n76 s LYS 237 Ca 0.12 -0.69 -0.15 0.00 -1.01 0.00 0.00 55.97 54.24 1n76 s LYS 237 Cb -0.11 0.39 0.04 0.00 -1.01 0.00 0.00 37.83 37.13 1n76 s LYS 237 CO 0.02 -0.31 0.20 -2.30 0.51 0.00 0.00 175.35 173.46 1n76 n PRO 238 N 0.13 -0.58 0.00 -1.68 -0.02 -1.26 -0.32 135.00 131.27 1n76 n PRO 238 Ca -0.17 -0.14 0.13 0.00 -2.02 0.00 0.00 63.50 61.31 1n76 n PRO 238 Cb 0.62 -1.75 0.74 0.00 -0.02 0.00 0.00 33.50 33.08 1n76 n PRO 238 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1n76 n VAL 239 N -3.72 0.08 0.89 -1.45 0.24 -1.26 -2.45 118.33 110.67 1n76 n VAL 239 Ca 0.05 0.02 0.10 0.00 -2.04 0.00 0.00 64.34 62.47 1n76 n VAL 239 Cb 0.56 -0.58 0.06 0.00 -1.47 0.00 0.00 33.84 32.40 1n76 n VAL 239 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1n76 n ASP 240 N -1.17 2.46 -2.47 -1.34 5.75 -1.26 -4.31 116.55 114.21 1n76 n ASP 240 Ca 0.16 -1.73 -0.35 0.00 -0.01 0.00 0.00 54.79 52.86 1n76 n ASP 240 Cb 0.16 0.17 0.06 0.00 -1.03 0.00 0.00 41.12 40.49 1n76 n ASP 240 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1n76 n LYS 241 N 0.74 2.80 0.16 0.11 4.01 -1.03 -4.58 118.16 120.38 1n76 n LYS 241 Ca 0.11 -3.46 0.02 0.00 -0.51 0.00 0.00 58.31 54.47 1n76 n LYS 241 Cb 0.49 -2.28 0.26 0.00 -0.51 0.00 0.00 35.03 32.99 1n76 n LYS 241 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1n76 h PHE 242 N 2.30 0.00 -1.00 2.13 -5.15 -1.77 -2.24 116.94 111.20 1n76 h PHE 242 Ca 0.57 0.00 0.06 0.00 -0.20 0.00 0.00 57.97 58.40 1n76 h PHE 242 Cb 0.66 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 36.76 1n76 h PHE 242 CO 1.30 0.50 0.65 0.87 -2.00 0.00 0.00 178.31 179.63 1n76 h LYS 243 N 0.00 1.16 -0.74 6.09 1.79 -1.95 -2.18 116.57 120.73 1n76 h LYS 243 Ca -0.00 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1n76 h LYS 243 Cb 0.97 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1n76 h LYS 243 CO 0.06 0.77 0.00 -0.25 -1.08 0.00 0.00 179.45 178.95 1n76 n ASP 244 N -4.49 3.98 -3.25 0.86 8.00 -1.05 -4.74 116.55 115.87 1n76 n ASP 244 Ca 0.15 -2.00 -0.05 0.00 0.71 0.00 0.00 54.79 53.60 1n76 n ASP 244 Cb 0.17 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.74 1n76 n ASP 244 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n76 s HIS 246 N 1.98 -0.21 0.31 0.00 -3.43 -1.24 -4.46 115.29 108.23 1n76 s HIS 246 Ca 0.14 0.31 0.07 0.00 -0.80 0.00 0.00 55.06 54.79 1n76 s HIS 246 Cb -0.09 0.12 0.51 0.00 -1.43 0.00 0.00 32.58 31.69 1n76 s HIS 246 CO -0.12 -0.42 1.73 -0.07 -2.00 0.00 0.00 174.74 173.86 1n76 h LEU 247 N 3.73 0.22 -7.57 5.38 3.38 -1.62 -3.41 115.31 115.42 1n76 h LEU 247 Ca -0.30 -0.09 0.17 0.00 0.09 0.00 0.00 57.88 57.76 1n76 h LEU 247 Cb 1.18 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.77 1n76 h LEU 247 CO 0.40 0.59 0.48 0.00 0.09 0.00 0.00 178.44 180.01 1n76 s ALA 248 N -4.19 -1.68 -0.15 1.53 0.00 -1.21 -5.02 121.76 111.03 1n76 s ALA 248 Ca -0.04 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.17 1n76 s ALA 248 Cb 0.14 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.89 1n76 s ALA 248 CO 0.76 -0.99 -0.17 0.50 0.00 0.00 0.00 175.76 175.86 1n76 s ARG 249 N -3.26 2.63 0.10 0.00 3.52 -1.26 -2.73 118.95 117.95 1n76 s ARG 249 Ca 0.11 -0.69 0.04 0.00 -0.13 0.00 0.00 55.73 55.06 1n76 s ARG 249 Cb -0.01 -2.29 -0.04 0.00 -1.56 0.00 0.00 34.95 31.05 1n76 s ARG 249 CO 0.01 -0.18 -0.10 0.14 -0.81 0.00 0.00 175.30 174.35 1n76 s VAL 250 N 1.28 0.97 0.84 7.11 -7.23 -0.59 -4.99 120.40 117.80 1n76 s VAL 250 Ca 0.02 -1.70 -0.12 0.00 -1.81 0.00 0.00 61.98 58.38 1n76 s VAL 250 Cb -0.13 -1.43 0.11 0.00 0.56 0.00 0.00 36.38 35.48 1n76 s VAL 250 CO -0.10 -0.58 1.17 -2.84 -0.31 0.00 0.00 175.10 172.44 1n76 s PRO 251 N -2.92 1.45 0.64 4.82 0.02 -1.26 -1.23 135.00 136.52 1n76 s PRO 251 Ca 0.07 1.62 -0.06 0.00 0.02 0.00 0.00 61.00 62.66 1n76 s PRO 251 Cb -0.02 -1.77 0.03 0.00 0.02 0.00 0.00 34.50 32.76 1n76 s PRO 251 CO 0.00 -2.33 0.95 -1.54 -0.33 0.00 0.00 177.00 173.75 1n76 s SER 252 N -2.46 5.22 0.54 2.53 1.04 -1.05 -4.57 113.70 114.95 1n76 s SER 252 Ca 0.70 0.56 -0.20 0.00 0.48 0.00 0.00 55.95 57.49 1n76 s SER 252 Cb -0.25 -1.39 -0.05 0.00 0.10 0.00 0.00 66.02 64.42 1n76 s SER 252 CO 0.54 -1.31 1.18 -1.00 0.98 0.00 0.00 173.24 173.62 1n76 s HIS 253 N -3.10 2.59 -0.03 5.02 3.76 -1.26 -4.72 115.29 117.55 1n76 s HIS 253 Ca 0.57 1.52 -0.06 0.00 -0.15 0.00 0.00 55.06 56.94 1n76 s HIS 253 Cb -0.11 -3.41 0.01 0.00 1.11 0.00 0.00 32.58 30.19 1n76 s HIS 253 CO 0.45 -1.86 0.15 0.00 -0.85 0.00 0.00 174.74 172.63 1n76 s ALA 254 N -1.63 -0.37 -0.08 -1.40 0.00 -0.76 -1.81 121.76 115.71 1n76 s ALA 254 Ca 0.72 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 1n76 s ALA 254 Cb -0.28 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 1n76 s ALA 254 CO 0.32 -0.14 1.69 0.08 0.00 0.00 0.00 175.76 177.71 1n76 s VAL 255 N -0.61 3.53 0.35 0.00 1.01 -0.11 -2.81 120.40 121.76 1n76 s VAL 255 Ca -0.07 0.64 0.07 0.00 0.00 0.00 0.00 61.98 62.62 1n76 s VAL 255 Cb -0.04 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 1n76 s VAL 255 CO 0.01 -0.09 0.45 0.68 0.00 0.00 0.00 175.10 176.15 1n76 s VAL 256 N 4.39 3.74 0.21 2.92 -7.23 -1.00 -1.54 120.40 121.89 1n76 s VAL 256 Ca 0.75 -1.07 -0.21 0.00 -1.81 0.00 0.00 61.98 59.64 1n76 s VAL 256 Cb -0.33 -3.28 0.07 0.00 0.56 0.00 0.00 36.38 33.40 1n76 s VAL 256 CO 0.31 -0.13 1.00 0.00 -0.31 0.00 0.00 175.10 175.97 1n76 s ALA 257 N -2.24 -1.47 0.80 1.32 0.00 -0.52 -3.32 121.76 116.33 1n76 s ALA 257 Ca 0.46 -0.38 -0.13 0.00 0.00 0.00 0.00 51.96 51.92 1n76 s ALA 257 Cb -0.09 0.74 0.08 0.00 0.00 0.00 0.00 23.12 23.85 1n76 s ALA 257 CO 0.31 -1.05 1.17 1.03 0.00 0.00 0.00 175.76 177.22 1n76 s ARG 258 N -2.25 1.75 -0.14 0.00 0.52 -1.26 -1.50 118.95 116.06 1n76 s ARG 258 Ca 0.20 1.62 -0.13 0.00 -0.52 0.00 0.00 55.73 56.90 1n76 s ARG 258 Cb -0.03 -1.80 -0.24 0.00 0.52 0.00 0.00 34.95 33.40 1n76 s ARG 258 CO 0.06 -2.10 0.36 0.77 0.02 0.00 0.00 175.30 174.41 1n76 h SER 259 N -0.95 0.28 0.00 0.23 0.02 -1.90 -3.36 113.55 107.87 1n76 h SER 259 Ca -0.46 -0.79 0.00 0.00 -0.84 0.00 0.00 61.79 59.70 1n76 h SER 259 Cb 1.28 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1n76 h SER 259 CO 0.47 1.70 0.00 1.33 -1.14 0.00 0.00 176.83 179.19 1n76 n VAL 260 N -3.88 0.00 -3.09 2.27 0.24 -1.26 -4.48 118.33 108.14 1n76 n VAL 260 Ca -0.31 0.47 -0.37 0.00 -2.04 0.00 0.00 64.34 62.09 1n76 n VAL 260 Cb 0.90 -1.10 -0.02 0.00 -1.47 0.00 0.00 33.84 32.15 1n76 n VAL 260 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1n76 n ASN 261 N -1.32 5.57 -0.54 -1.34 4.13 -1.26 -4.84 115.26 115.65 1n76 n ASN 261 Ca 0.00 -3.48 0.12 0.00 1.68 0.00 0.00 54.58 52.90 1n76 n ASN 261 Cb 0.00 -1.02 0.43 0.00 -1.54 0.00 0.00 39.78 37.65 1n76 n ASN 261 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1n76 n GLY 262 N 0.89 0.21 4.08 7.41 0.00 -1.26 -4.85 105.19 111.66 1n76 n GLY 262 Ca 0.30 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1n76 n GLY 262 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n76 n LYS 263 N 0.30 -1.40 -0.23 1.61 5.02 -1.26 -4.52 118.16 117.67 1n76 n LYS 263 Ca 0.17 0.21 -0.03 0.00 -2.02 0.00 0.00 58.31 56.64 1n76 n LYS 263 Cb 0.35 -3.61 0.08 0.00 -0.02 0.00 0.00 35.03 31.82 1n76 n LYS 263 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1n76 h GLU 264 N -2.05 0.72 -0.63 1.97 3.07 -1.91 -2.77 114.58 112.98 1n76 h GLU 264 Ca -0.67 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 58.17 1n76 h GLU 264 Cb 1.39 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 29.10 1n76 h GLU 264 CO 0.61 0.48 0.40 -0.44 -1.40 0.00 0.00 179.01 178.66 1n76 h ASP 265 N 0.74 0.68 0.94 1.42 5.19 -2.00 -1.32 116.42 122.07 1n76 h ASP 265 Ca 0.27 -0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.56 1n76 h ASP 265 Cb 0.08 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 1n76 h ASP 265 CO -0.13 0.48 -0.53 0.00 -3.12 0.00 0.00 179.24 175.93 1n76 h ALA 266 N 1.25 0.84 -0.12 3.45 0.00 -1.92 -1.69 119.26 121.07 1n76 h ALA 266 Ca 0.24 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 1n76 h ALA 266 Cb -0.03 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1n76 h ALA 266 CO -0.08 0.67 -0.47 0.82 0.00 0.00 0.00 179.25 180.19 1n76 h ILE 267 N 0.00 1.36 -0.08 0.00 2.04 -1.05 -2.24 117.51 117.54 1n76 h ILE 267 Ca -0.01 -1.77 -0.13 0.00 1.00 0.00 0.00 64.86 63.96 1n76 h ILE 267 Cb 1.15 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.33 1n76 h ILE 267 CO 0.07 0.54 -0.51 -0.25 0.00 0.00 0.00 178.15 177.99 1n76 h TRP 268 N 0.16 0.27 -0.41 1.37 -0.00 -1.18 -1.66 115.95 114.49 1n76 h TRP 268 Ca -0.02 -0.09 -0.14 0.00 -0.00 0.00 0.00 58.89 58.64 1n76 h TRP 268 Cb 1.11 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.16 30.20 1n76 h TRP 268 CO 0.11 0.69 -0.29 -0.97 -0.00 0.00 0.00 178.44 177.97 1n76 h ASN 269 N 0.17 0.98 0.22 2.65 -1.24 -1.24 -1.36 115.58 115.76 1n76 h ASN 269 Ca 0.01 -0.43 -0.14 0.00 0.71 0.00 0.00 56.30 56.44 1n76 h ASN 269 Cb 0.96 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.73 1n76 h ASN 269 CO 0.08 1.20 -0.53 0.25 -1.29 0.00 0.00 177.43 177.14 1n76 h LEU 270 N 0.76 0.37 -0.30 0.34 5.85 -1.24 -2.92 115.31 118.17 1n76 h LEU 270 Ca 0.08 -0.19 -0.19 0.00 0.84 0.00 0.00 57.88 58.42 1n76 h LEU 270 Cb 0.88 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1n76 h LEU 270 CO 0.08 0.83 -0.86 -0.07 -0.34 0.00 0.00 178.44 178.08 1n76 h LEU 271 N 0.26 0.12 0.02 2.25 3.38 -0.98 -1.77 115.31 118.59 1n76 h LEU 271 Ca 0.01 -0.10 -0.26 0.00 0.09 0.00 0.00 57.88 57.62 1n76 h LEU 271 Cb 1.02 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.74 1n76 h LEU 271 CO 0.09 0.92 -1.15 -0.09 0.09 0.00 0.00 178.44 178.29 1n76 h ARG 272 N 0.05 0.37 -0.26 1.13 2.43 -1.27 -1.67 114.38 115.15 1n76 h ARG 272 Ca -0.03 -0.52 -0.07 0.00 -0.81 0.00 0.00 59.98 58.56 1n76 h ARG 272 Cb 1.50 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 31.21 1n76 h ARG 272 CO 0.12 1.20 -0.10 1.96 -1.51 0.00 0.00 179.97 181.65 1n76 h GLN 273 N 0.15 0.52 0.00 0.20 1.08 -1.44 -0.46 115.11 115.16 1n76 h GLN 273 Ca -0.13 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 56.85 1n76 h GLN 273 Cb 1.84 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 29.25 1n76 h GLN 273 CO 0.20 0.76 -0.01 0.00 -0.95 0.00 0.00 178.83 178.83 1n76 h ALA 274 N 0.75 1.00 0.00 3.87 0.00 -1.37 -0.10 119.26 123.41 1n76 h ALA 274 Ca 0.06 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1n76 h ALA 274 Cb 0.59 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1n76 h ALA 274 CO 0.03 0.01 -0.82 0.37 0.00 0.00 0.00 179.25 178.84 1n76 h GLN 275 N 0.00 0.00 0.03 0.00 4.15 -0.59 -2.50 115.11 116.20 1n76 h GLN 275 Ca -0.00 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.12 1n76 h GLN 275 Cb 0.60 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.25 1n76 h GLN 275 CO 0.00 0.82 -1.70 1.49 -1.93 0.00 0.00 178.83 177.51 1n76 h GLU 276 N 0.00 0.06 0.00 1.69 4.81 0.05 -3.00 114.58 118.19 1n76 h GLU 276 Ca -0.01 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1n76 h GLU 276 Cb 1.52 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.94 1n76 h GLU 276 CO 0.11 0.69 -2.01 1.63 -0.73 0.00 0.00 179.01 178.70 1n76 n LYS 277 N -3.17 0.66 -1.52 1.92 4.76 -0.16 -4.55 118.16 116.10 1n76 n LYS 277 Ca -0.18 -0.19 0.04 0.00 -2.87 0.00 0.00 58.31 55.10 1n76 n LYS 277 Cb 1.04 -1.52 0.04 0.00 -1.84 0.00 0.00 35.03 32.75 1n76 n LYS 277 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1n76 n PHE 278 N -2.28 0.10 0.00 2.13 3.72 -0.94 -3.98 117.46 116.21 1n76 n PHE 278 Ca -0.05 -0.70 0.00 0.00 -0.05 0.00 0.00 57.45 56.65 1n76 n PHE 278 Cb 0.59 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 1n76 n PHE 278 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n76 n GLY 279 N 0.30 0.77 3.55 1.37 0.00 -1.13 -1.84 105.19 108.21 1n76 n GLY 279 Ca 0.07 -1.46 -0.23 0.00 0.00 0.00 0.00 46.02 44.40 1n76 n GLY 279 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1n76 n LYS 280 N 0.00 0.65 -3.48 1.61 0.00 -1.26 -3.12 118.16 112.55 1n76 n LYS 280 Ca 0.00 -0.45 -0.20 0.00 0.00 0.00 0.00 58.31 57.66 1n76 n LYS 280 Cb 0.00 -3.27 0.06 0.00 0.00 0.00 0.00 35.03 31.82 1n76 n LYS 280 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1n76 n ASP 281 N 16.27 -4.05 -0.11 3.14 2.03 -1.26 -4.96 116.55 127.61 1n76 n ASP 281 Ca 0.46 -0.78 -0.15 0.00 0.52 0.00 0.00 54.79 54.85 1n76 n ASP 281 Cb 0.42 -4.55 -0.14 0.00 -0.72 0.00 0.00 41.12 36.14 1n76 n ASP 281 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1n76 n LYS 282 N -3.86 0.67 -3.66 -0.67 4.01 -1.18 -5.00 118.16 108.47 1n76 n LYS 282 Ca -0.18 0.09 -0.06 0.00 -0.51 0.00 0.00 58.31 57.65 1n76 n LYS 282 Cb 0.64 -1.53 -0.08 0.00 -0.51 0.00 0.00 35.03 33.55 1n76 n LYS 282 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1n76 s SER 283 N -6.11 -0.78 0.54 4.39 0.15 -1.26 -4.87 113.70 105.77 1n76 s SER 283 Ca -0.24 1.30 0.30 0.00 0.70 0.00 0.00 55.95 58.01 1n76 s SER 283 Cb 0.08 1.49 1.53 0.00 -1.71 0.00 0.00 66.02 67.41 1n76 s SER 283 CO 0.70 -0.22 2.09 -0.65 1.20 0.00 0.00 173.24 176.36 1n76 h PRO 284 N 7.52 0.00 0.00 5.44 0.11 -1.95 -2.77 132.00 140.34 1n76 h PRO 284 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1n76 h PRO 284 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1n76 h PRO 284 CO 0.17 0.10 0.00 0.36 -0.21 0.00 0.00 178.00 178.41 1n76 n LYS 285 N -3.52 0.08 -3.61 1.05 2.85 -1.26 -4.79 118.16 108.96 1n76 n LYS 285 Ca -0.02 0.29 -0.11 0.00 -1.05 0.00 0.00 58.31 57.42 1n76 n LYS 285 Cb 0.23 -1.65 -0.07 0.00 -0.65 0.00 0.00 35.03 32.90 1n76 n LYS 285 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 1n76 s PHE 286 N -3.12 -0.55 -0.16 5.58 5.36 -1.05 -5.08 117.98 118.96 1n76 s PHE 286 Ca 0.07 1.25 0.00 0.00 -0.96 0.00 0.00 56.93 57.29 1n76 s PHE 286 Cb 0.10 0.36 0.03 0.00 -0.34 0.00 0.00 43.02 43.18 1n76 s PHE 286 CO 0.34 -0.32 -0.10 -0.65 -1.46 0.00 0.00 175.22 173.04 1n76 s GLN 287 N -0.10 1.87 0.06 10.12 -0.21 -1.26 -4.46 119.66 125.67 1n76 s GLN 287 Ca 0.00 -0.58 -0.20 0.00 0.02 0.00 0.00 55.36 54.60 1n76 s GLN 287 Cb -0.04 -2.09 -0.12 0.00 1.00 0.00 0.00 33.01 31.77 1n76 s GLN 287 CO -0.02 -0.35 1.42 1.25 -2.12 0.00 0.00 175.29 175.48 1n76 h LEU 288 N 8.07 0.40 -4.31 2.90 5.85 -1.63 -3.19 115.31 123.40 1n76 h LEU 288 Ca -0.30 -0.40 -0.71 0.00 0.84 0.00 0.00 57.88 57.31 1n76 h LEU 288 Cb 1.12 -0.11 -0.28 0.00 0.37 0.00 0.00 40.66 41.75 1n76 h LEU 288 CO 0.46 0.71 0.94 0.49 -0.34 0.00 0.00 178.44 180.70 1n76 n PHE 289 N -4.59 3.16 -3.76 1.25 3.72 -1.26 -4.69 117.46 111.28 1n76 n PHE 289 Ca -0.05 -2.82 -0.13 0.00 -0.05 0.00 0.00 57.45 54.40 1n76 n PHE 289 Cb 0.31 -1.38 -0.10 0.00 -0.94 0.00 0.00 39.48 37.37 1n76 n PHE 289 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1n76 s GLY 290 N -1.60 -0.24 0.16 1.37 0.00 -1.21 -2.53 107.32 103.27 1n76 s GLY 290 Ca 0.61 0.87 0.06 0.00 0.00 0.00 0.00 44.72 46.27 1n76 s GLY 290 CO -0.14 0.73 -0.13 -0.56 0.00 0.00 0.00 173.10 173.00 1n76 s SER 291 N -0.04 2.20 1.01 1.64 0.01 -1.26 -4.78 113.70 112.48 1n76 s SER 291 Ca -0.02 -0.95 -0.16 0.00 1.31 0.00 0.00 55.95 56.13 1n76 s SER 291 Cb -0.03 -0.08 0.02 0.00 0.21 0.00 0.00 66.02 66.14 1n76 s SER 291 CO 0.01 -0.20 0.06 -2.65 0.41 0.00 0.00 173.24 170.86 1n76 n PRO 292 N -0.05 -0.62 -0.02 12.44 -0.02 -1.26 -4.94 135.00 140.54 1n76 n PRO 292 Ca -0.11 -0.15 -0.02 0.00 -2.02 0.00 0.00 63.50 61.20 1n76 n PRO 292 Cb 0.59 -1.67 -0.01 0.00 -0.02 0.00 0.00 33.50 32.39 1n76 n PRO 292 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1n76 h SER 293 N -1.62 -0.27 0.75 2.55 4.64 -2.05 -2.98 113.55 114.58 1n76 h SER 293 Ca -0.46 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 60.88 1n76 h SER 293 Cb 1.31 0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1n76 h SER 293 CO 0.33 -0.06 -0.04 1.23 -0.87 0.00 0.00 176.83 177.43 1n76 h GLY 294 N -0.06 0.00 -1.97 -0.77 0.00 -2.06 -3.44 103.07 94.77 1n76 h GLY 294 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.90 1n76 h GLY 294 CO -0.08 0.00 -0.07 1.20 0.00 0.00 0.00 176.54 177.59 1n76 s GLN 295 N -3.81 2.68 -0.10 4.80 -1.52 -1.13 -5.13 119.66 115.45 1n76 s GLN 295 Ca -0.00 -0.75 -0.21 0.00 -1.95 0.00 0.00 55.36 52.44 1n76 s GLN 295 Cb 0.10 -2.52 0.05 0.00 -0.22 0.00 0.00 33.01 30.42 1n76 s GLN 295 CO 0.53 -0.58 0.50 0.15 -0.25 0.00 0.00 175.29 175.64 1n76 s LYS 296 N -4.69 0.75 -1.01 2.91 -0.14 -1.26 -4.72 119.74 111.58 1n76 s LYS 296 Ca 0.55 0.31 -0.16 0.00 -1.36 0.00 0.00 55.97 55.31 1n76 s LYS 296 Cb -0.10 0.35 0.02 0.00 -1.68 0.00 0.00 37.83 36.42 1n76 s LYS 296 CO 0.38 -0.18 0.67 -0.25 -0.76 0.00 0.00 175.35 175.21 1n76 n ASP 297 N 1.80 -4.88 0.00 2.83 8.00 -1.26 -4.93 116.55 118.11 1n76 n ASP 297 Ca -0.18 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.29 1n76 n ASP 297 Cb 0.56 -2.19 0.00 0.00 -0.02 0.00 0.00 41.12 39.48 1n76 n ASP 297 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1n76 n LEU 298 N -3.70 1.02 -0.05 0.64 4.77 -1.26 -4.57 117.00 113.84 1n76 n LEU 298 Ca -0.19 0.40 -0.03 0.00 -0.03 0.00 0.00 56.01 56.16 1n76 n LEU 298 Cb 0.62 -0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 41.43 1n76 n LEU 298 CO 0.67 -0.12 -0.89 0.18 -1.33 0.00 0.00 177.39 175.90 1n76 n LEU 299 N -0.87 0.18 -4.31 2.23 4.77 -1.26 -4.94 117.00 112.79 1n76 n LEU 299 Ca 0.00 0.08 -0.19 0.00 -0.03 0.00 0.00 56.01 55.87 1n76 n LEU 299 Cb 0.00 0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 1n76 n LEU 299 CO 0.00 0.32 -0.14 -0.36 -1.33 0.00 0.00 177.39 175.87 1n76 s PHE 300 N -2.81 1.68 0.16 -1.77 0.08 -1.26 -4.61 117.98 109.45 1n76 s PHE 300 Ca -0.08 -1.56 -0.30 0.00 0.12 0.00 0.00 56.93 55.11 1n76 s PHE 300 Cb 0.08 -0.77 -0.07 0.00 -0.57 0.00 0.00 43.02 41.69 1n76 s PHE 300 CO 0.85 -0.74 1.06 0.21 -0.10 0.00 0.00 175.22 176.50 1n76 s LYS 301 N -3.60 4.63 0.67 0.44 2.36 -1.26 -4.49 119.74 118.49 1n76 s LYS 301 Ca 0.38 1.64 -0.17 0.00 -2.55 0.00 0.00 55.97 55.27 1n76 s LYS 301 Cb 0.03 -3.30 0.00 0.00 -1.05 0.00 0.00 37.83 33.51 1n76 s LYS 301 CO 0.23 0.13 1.20 -0.51 1.55 0.00 0.00 175.35 177.95 1n76 s ASP 302 N -0.13 4.70 -1.70 1.43 1.01 -1.26 -3.00 116.67 117.71 1n76 s ASP 302 Ca 0.48 2.34 0.00 0.00 0.71 0.00 0.00 52.55 56.08 1n76 s ASP 302 Cb -0.28 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.06 1n76 s ASP 302 CO 0.33 -1.92 0.00 -1.20 0.21 0.00 0.00 175.17 172.59 1n76 n SER 303 N -2.22 -5.24 -4.87 0.27 7.64 -1.05 -4.99 113.62 103.17 1n76 n SER 303 Ca 0.13 0.18 -0.31 0.00 1.01 0.00 0.00 58.87 59.88 1n76 n SER 303 Cb 0.50 -4.32 -0.01 0.00 -1.01 0.00 0.00 64.21 59.38 1n76 n SER 303 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n76 s ALA 304 N -2.81 3.15 -0.81 -0.43 0.00 -1.16 -4.80 121.76 114.90 1n76 s ALA 304 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 51.96 51.95 1n76 s ALA 304 Cb 0.00 -3.00 0.04 0.00 0.00 0.00 0.00 23.12 20.16 1n76 s ALA 304 CO 0.00 -0.49 0.67 0.44 0.00 0.00 0.00 175.76 176.39 1n76 n ILE 305 N -2.30 0.00 -2.51 0.00 -5.35 -0.55 -4.74 119.36 103.91 1n76 n ILE 305 Ca 0.05 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 1n76 n ILE 305 Cb 0.54 1.13 0.00 0.00 -1.74 0.00 0.00 39.64 39.57 1n76 n ILE 305 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1n76 n GLY 306 N 0.46 -0.57 3.79 3.28 0.00 -1.25 -4.75 105.19 106.14 1n76 n GLY 306 Ca 0.04 -1.47 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 1n76 n GLY 306 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n76 s PHE 307 N -2.62 2.58 -0.28 1.61 0.40 -1.26 -0.68 117.98 117.73 1n76 s PHE 307 Ca 0.00 -0.58 -0.02 0.00 -0.60 0.00 0.00 56.93 55.73 1n76 s PHE 307 Cb 0.00 -2.02 0.17 0.00 0.51 0.00 0.00 43.02 41.68 1n76 s PHE 307 CO 0.00 0.07 0.53 0.45 0.70 0.00 0.00 175.22 176.97 1n76 s SER 308 N -3.99 -0.88 0.23 1.36 0.15 -0.89 -4.86 113.70 104.82 1n76 s SER 308 Ca 0.42 0.71 -0.32 0.00 0.70 0.00 0.00 55.95 57.47 1n76 s SER 308 Cb 0.02 1.85 -0.13 0.00 -1.71 0.00 0.00 66.02 66.04 1n76 s SER 308 CO 0.24 -0.27 1.48 -1.14 1.20 0.00 0.00 173.24 174.74 1n76 n ARG 309 N 5.41 2.16 -3.35 5.44 0.63 -1.26 -2.36 116.66 123.33 1n76 n ARG 309 Ca -0.02 0.77 -0.39 0.00 -0.92 0.00 0.00 57.85 57.29 1n76 n ARG 309 Cb 0.51 -2.47 -0.09 0.00 0.45 0.00 0.00 32.46 30.85 1n76 n ARG 309 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1n76 s VAL 310 N 0.18 5.14 0.36 5.15 1.01 -1.12 -4.87 120.40 126.26 1n76 s VAL 310 Ca 0.70 0.57 -0.27 0.00 0.00 0.00 0.00 61.98 62.98 1n76 s VAL 310 Cb -0.63 -3.75 -0.12 0.00 0.00 0.00 0.00 36.38 31.88 1n76 s VAL 310 CO 0.47 0.10 1.28 -2.65 0.00 0.00 0.00 175.10 174.30 1n76 n PRO 311 N 5.40 2.07 -0.31 2.72 -0.02 -1.26 -4.77 135.00 138.83 1n76 n PRO 311 Ca -0.07 0.73 0.24 0.00 -2.02 0.00 0.00 63.50 62.38 1n76 n PRO 311 Cb 0.50 -2.34 0.55 0.00 -0.02 0.00 0.00 33.50 32.20 1n76 n PRO 311 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1n76 h PRO 312 N 2.42 0.32 -0.08 0.52 0.11 -1.94 -2.04 132.00 131.30 1n76 h PRO 312 Ca -0.46 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 1n76 h PRO 312 Cb 1.29 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1n76 h PRO 312 CO 0.62 0.21 -0.55 -0.09 -0.21 0.00 0.00 178.00 177.97 1n76 h ARG 313 N 0.33 0.23 -6.64 1.05 9.65 -1.91 -3.45 114.38 113.63 1n76 h ARG 313 Ca 0.57 -0.14 -0.52 0.00 -1.10 0.00 0.00 59.98 58.79 1n76 h ARG 313 Cb 1.59 0.02 0.05 0.00 -1.39 0.00 0.00 29.97 30.24 1n76 h ARG 313 CO -0.24 0.72 0.95 0.42 2.80 0.00 0.00 179.97 184.63 1n76 s ILE 314 N -3.85 2.27 0.00 1.20 1.01 -0.77 -5.04 121.20 116.02 1n76 s ILE 314 Ca -0.04 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.81 1n76 s ILE 314 Cb 0.12 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.47 1n76 s ILE 314 CO 0.79 0.02 0.00 -0.90 0.00 0.00 0.00 174.94 174.85 1n76 n ASP 315 N 3.88 1.46 -0.07 3.58 5.68 -1.26 -4.71 116.55 125.11 1n76 n ASP 315 Ca 0.15 -1.00 -0.08 0.00 -0.50 0.00 0.00 54.79 53.36 1n76 n ASP 315 Cb 0.37 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.34 1n76 n ASP 315 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1n76 h SER 316 N 0.00 0.12 0.27 -1.12 4.64 -1.93 -2.29 113.55 113.25 1n76 h SER 316 Ca 0.00 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1n76 h SER 316 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1n76 h SER 316 CO 0.00 0.11 -0.13 1.23 -0.87 0.00 0.00 176.83 177.17 1n76 h GLY 317 N 0.23 -0.38 1.57 -0.77 0.00 -1.96 -2.92 103.07 98.85 1n76 h GLY 317 Ca 0.12 0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.64 1n76 h GLY 317 CO -0.12 -0.14 0.16 1.41 0.00 0.00 0.00 176.54 177.86 1n76 h LEU 318 N -0.79 0.00 -0.33 3.11 3.38 -1.90 0.10 115.31 118.88 1n76 h LEU 318 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1n76 h LEU 318 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1n76 h LEU 318 CO 0.06 0.00 0.06 0.22 0.09 0.00 0.00 178.44 178.87 1n76 h TYR 319 N 0.00 0.58 0.00 1.13 3.20 -1.31 -2.94 116.97 117.63 1n76 h TYR 319 Ca 0.09 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 1n76 h TYR 319 Cb 0.41 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1n76 h TYR 319 CO 0.00 0.61 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.73 1n76 h LEU 320 N 0.38 0.00 0.00 2.82 3.38 -0.63 -3.46 115.31 117.80 1n76 h LEU 320 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1n76 h LEU 320 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1n76 h LEU 320 CO 0.01 0.33 0.00 0.61 0.09 0.00 0.00 178.44 179.48 1n76 n GLY 321 N 0.66 -1.65 0.33 0.83 0.00 -0.83 -4.10 105.19 100.42 1n76 n GLY 321 Ca 0.01 -1.49 -0.02 0.00 0.00 0.00 0.00 46.02 44.52 1n76 n GLY 321 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1n76 h SER 322 N 0.00 0.88 -0.20 1.61 4.64 -1.86 0.15 113.55 118.79 1n76 h SER 322 Ca 0.00 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 1n76 h SER 322 Cb 0.00 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 1n76 h SER 322 CO 0.00 0.76 0.05 1.23 -0.87 0.00 0.00 176.83 178.00 1n76 h GLY 323 N 1.04 0.33 0.99 -0.77 0.00 -1.90 -3.10 103.07 99.67 1n76 h GLY 323 Ca 0.24 -0.21 -0.15 0.00 0.00 0.00 0.00 47.33 47.21 1n76 h GLY 323 CO -0.03 0.19 -1.37 2.98 0.00 0.00 0.00 176.54 178.32 1n76 n TYR 324 N -4.78 0.99 -0.03 5.60 9.36 -1.12 -3.38 117.16 123.79 1n76 n TYR 324 Ca -0.04 0.32 -0.16 0.00 3.32 0.00 0.00 57.90 61.34 1n76 n TYR 324 Cb 0.16 -1.08 -0.08 0.00 -0.63 0.00 0.00 39.34 37.72 1n76 n TYR 324 CO 0.00 0.00 0.00 0.35 0.22 0.00 0.00 176.86 177.43 1n76 h PHE 325 N 0.00 0.80 0.00 2.98 3.57 -0.99 -2.67 116.94 120.62 1n76 h PHE 325 Ca -0.14 -0.34 0.00 0.00 3.53 0.00 0.00 57.97 61.01 1n76 h PHE 325 Cb 1.52 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1n76 h PHE 325 CO 0.00 1.13 -0.22 0.25 -2.23 0.00 0.00 178.31 177.24 1n76 n THR 326 N -4.17 0.01 0.09 4.41 -2.24 -1.17 -3.17 114.28 108.04 1n76 n THR 326 Ca -0.08 -0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 61.63 1n76 n THR 326 Cb 0.63 -0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.67 1n76 n THR 326 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n76 h ALA 327 N 2.99 0.54 -0.32 6.98 0.00 -1.50 -1.94 119.26 126.01 1n76 h ALA 327 Ca 0.00 -0.76 -0.14 0.00 0.00 0.00 0.00 54.91 54.01 1n76 h ALA 327 Cb 0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1n76 h ALA 327 CO 0.00 1.00 -0.35 0.82 0.00 0.00 0.00 179.25 180.73 1n76 h ILE 328 N 0.05 1.28 0.00 0.00 2.04 -1.44 -2.69 117.51 116.75 1n76 h ILE 328 Ca -0.03 -1.50 -0.06 0.00 1.00 0.00 0.00 64.86 64.27 1n76 h ILE 328 Cb 1.53 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 1n76 h ILE 328 CO 0.12 0.49 -0.30 1.56 0.00 0.00 0.00 178.15 180.02 1n76 h GLN 329 N 0.61 0.00 0.06 2.37 4.20 -1.49 -3.09 115.11 117.77 1n76 h GLN 329 Ca 0.06 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.53 1n76 h GLN 329 Cb 0.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1n76 h GLN 329 CO 0.08 0.30 -1.07 -0.91 -0.67 0.00 0.00 178.83 176.56 1n76 h ASN 330 N 0.00 0.43 0.00 1.46 -0.26 -1.02 -3.08 115.58 113.11 1n76 h ASN 330 Ca -0.00 -0.39 0.00 0.00 -0.56 0.00 0.00 56.30 55.34 1n76 h ASN 330 Cb 0.69 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1n76 h ASN 330 CO 0.04 1.24 0.35 -0.07 -1.06 0.00 0.00 177.43 177.93 1n76 h LEU 331 N 0.13 0.00 -3.87 1.61 3.38 -1.44 0.29 115.31 115.41 1n76 h LEU 331 Ca -0.10 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.29 1n76 h LEU 331 Cb 1.75 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 42.19 1n76 h LEU 331 CO 0.18 0.00 0.33 0.54 0.09 0.00 0.00 178.44 179.58 1n76 n ARG 332 N -2.70 2.79 -3.86 1.13 3.00 -1.16 -4.81 116.66 111.05 1n76 n ARG 332 Ca -0.02 -3.47 -0.09 0.00 -0.01 0.00 0.00 57.85 54.26 1n76 n ARG 332 Cb 0.39 -2.23 -0.07 0.00 0.00 0.00 0.00 32.46 30.55 1n76 n ARG 332 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1n76 s LYS 333 N -3.66 0.96 0.79 5.56 1.02 0.09 -4.94 119.74 119.56 1n76 s LYS 333 Ca 0.59 -0.99 -0.10 0.00 0.02 0.00 0.00 55.97 55.48 1n76 s LYS 333 Cb 0.47 0.37 0.10 0.00 -0.52 0.00 0.00 37.83 38.24 1n76 s LYS 333 CO 0.02 -0.33 1.14 -1.54 -0.92 0.00 0.00 175.35 173.72 1n76 s SER 334 N -2.88 4.38 0.38 2.83 1.04 -1.26 -4.63 113.70 113.55 1n76 s SER 334 Ca 0.08 0.53 0.21 0.00 0.48 0.00 0.00 55.95 57.25 1n76 s SER 334 Cb 0.04 -1.00 0.49 0.00 0.10 0.00 0.00 66.02 65.65 1n76 s SER 334 CO -0.08 -1.93 1.64 -0.33 0.98 0.00 0.00 173.24 173.52 1n76 h GLU 335 N -0.97 0.00 -0.08 4.02 4.39 -1.91 -2.34 114.58 117.69 1n76 h GLU 335 Ca -0.45 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.02 1n76 h GLU 335 Cb 1.31 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.97 1n76 h GLU 335 CO 0.58 0.29 -0.87 0.93 -1.16 0.00 0.00 179.01 178.78 1n76 h GLU 336 N 0.00 0.73 0.00 2.33 3.07 -1.94 -2.85 114.58 115.92 1n76 h GLU 336 Ca -0.00 -0.68 -0.13 0.00 -0.50 0.00 0.00 59.36 58.05 1n76 h GLU 336 Cb 1.04 0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 29.10 1n76 h GLU 336 CO 0.04 1.27 -0.62 1.49 -1.40 0.00 0.00 179.01 179.79 1n76 h GLU 337 N 0.43 0.00 0.18 2.33 4.81 -1.92 -2.90 114.58 117.50 1n76 h GLU 337 Ca -0.09 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.84 1n76 h GLU 337 Cb 1.52 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.92 1n76 h GLU 337 CO 0.18 0.62 -1.34 0.28 -0.73 0.00 0.00 179.01 178.02 1n76 h VAL 338 N 0.00 1.38 -0.00 0.32 2.07 -1.45 -2.87 116.25 115.71 1n76 h VAL 338 Ca -0.01 -2.83 0.00 0.00 0.82 0.00 0.00 66.70 64.68 1n76 h VAL 338 Cb 1.20 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.91 1n76 h VAL 338 CO 0.08 0.84 -0.19 0.00 0.02 0.00 0.00 177.57 178.32 1n76 n ALA 339 N -2.63 2.88 0.09 1.67 0.00 -1.08 -2.53 120.51 118.92 1n76 n ALA 339 Ca -0.12 -0.25 -0.23 0.00 0.00 0.00 0.00 53.44 52.83 1n76 n ALA 339 Cb 1.05 -1.30 -0.15 0.00 0.00 0.00 0.00 19.45 19.05 1n76 n ALA 339 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n76 h ALA 340 N 3.30 -0.05 0.00 0.00 0.00 -1.34 -3.14 119.26 118.02 1n76 h ALA 340 Ca 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 54.91 53.95 1n76 h ALA 340 Cb 0.44 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1n76 h ALA 340 CO 0.00 0.68 -0.29 -0.09 0.00 0.00 0.00 179.25 179.55 1n76 h ARG 341 N -0.05 0.00 0.00 0.00 9.65 -1.50 -2.06 114.38 120.42 1n76 h ARG 341 Ca -0.25 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.61 1n76 h ARG 341 Cb 1.97 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 30.55 1n76 h ARG 341 CO 0.20 0.29 -0.11 -0.09 2.80 0.00 0.00 179.97 183.07 1n76 h ARG 342 N 0.00 0.00 -0.14 0.20 2.43 -1.49 -2.79 114.38 112.60 1n76 h ARG 342 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1n76 h ARG 342 Cb 0.52 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1n76 h ARG 342 CO 0.04 0.11 -0.01 0.00 -1.51 0.00 0.00 179.97 178.60 1n76 n ALA 343 N -2.23 2.68 -2.51 2.80 0.00 -0.78 -4.95 120.51 115.52 1n76 n ALA 343 Ca -0.01 -2.49 -0.24 0.00 0.00 0.00 0.00 53.44 50.70 1n76 n ALA 343 Cb 0.25 -0.56 -0.12 0.00 0.00 0.00 0.00 19.45 19.02 1n76 n ALA 343 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1n76 s ARG 344 N -2.87 1.19 -0.19 0.00 1.70 -1.05 -4.94 118.95 112.79 1n76 s ARG 344 Ca 0.37 -1.24 -0.05 0.00 -0.47 0.00 0.00 55.73 54.35 1n76 s ARG 344 Cb 0.31 -1.42 -0.03 0.00 -0.57 0.00 0.00 34.95 33.24 1n76 s ARG 344 CO 0.06 0.32 0.00 0.08 -1.08 0.00 0.00 175.30 174.68 1n76 s VAL 345 N -1.36 4.06 -0.47 4.99 1.01 -0.96 -4.95 120.40 122.72 1n76 s VAL 345 Ca 0.09 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 1n76 s VAL 345 Cb -0.09 -2.82 0.11 0.00 0.00 0.00 0.00 36.38 33.58 1n76 s VAL 345 CO 0.05 0.45 0.36 -0.69 0.00 0.00 0.00 175.10 175.26 1n76 s VAL 346 N 0.74 4.46 0.26 2.92 1.01 -1.26 -2.11 120.40 126.43 1n76 s VAL 346 Ca 0.00 -1.60 -0.21 0.00 0.00 0.00 0.00 61.98 60.18 1n76 s VAL 346 Cb -0.14 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 1n76 s VAL 346 CO 0.02 -0.72 0.78 0.86 0.00 0.00 0.00 175.10 176.05 1n76 s TRP 347 N 1.44 3.62 -0.02 5.22 -0.11 -1.08 0.75 118.94 128.76 1n76 s TRP 347 Ca 0.04 1.47 -0.05 0.00 1.22 0.00 0.00 56.10 58.79 1n76 s TRP 347 Cb -0.26 -2.69 -0.04 0.00 -1.50 0.00 0.00 33.47 28.98 1n76 s TRP 347 CO 0.01 0.27 0.21 0.00 -4.62 0.00 0.00 176.95 172.82 1n76 s ALA 349 N -1.28 1.32 -0.59 0.00 0.00 -1.08 -4.83 121.76 115.30 1n76 s ALA 349 Ca 0.26 -0.49 -0.22 0.00 0.00 0.00 0.00 51.96 51.51 1n76 s ALA 349 Cb -0.13 -0.71 0.07 0.00 0.00 0.00 0.00 23.12 22.34 1n76 s ALA 349 CO 0.16 -0.10 0.85 0.08 0.00 0.00 0.00 175.76 176.75 1n76 s VAL 350 N 1.07 4.53 0.00 0.00 1.01 -1.26 -1.94 120.40 123.81 1n76 s VAL 350 Ca -0.07 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1n76 s VAL 350 Cb -0.15 -4.54 0.00 0.00 0.00 0.00 0.00 36.38 31.70 1n76 s VAL 350 CO -0.01 -1.19 0.00 0.61 0.00 0.00 0.00 175.10 174.51 1n76 n GLY 351 N 5.24 2.23 0.25 4.51 0.00 -0.75 -4.33 105.19 112.35 1n76 n GLY 351 Ca -0.04 -1.90 0.12 0.00 0.00 0.00 0.00 46.02 44.20 1n76 n GLY 351 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1n76 h GLU 352 N 0.00 0.00 0.09 1.61 5.08 -1.89 -0.48 114.58 118.99 1n76 h GLU 352 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1n76 h GLU 352 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1n76 h GLU 352 CO 0.00 0.15 -1.33 1.96 -1.00 0.00 0.00 179.01 178.79 1n76 h GLN 353 N 0.00 0.19 -0.02 2.33 4.20 -1.97 -1.55 115.11 118.29 1n76 h GLN 353 Ca -0.00 -0.33 -0.18 0.00 0.06 0.00 0.00 58.65 58.21 1n76 h GLN 353 Cb 0.48 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1n76 h GLN 353 CO 0.02 1.09 -0.78 0.93 -0.67 0.00 0.00 178.83 179.42 1n76 h GLU 354 N 0.05 0.17 -0.15 1.46 5.08 -1.72 -3.00 114.58 116.46 1n76 h GLU 354 Ca -0.16 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 57.92 1n76 h GLU 354 Cb 1.95 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.23 1n76 h GLU 354 CO 0.17 0.86 -0.45 1.25 -1.00 0.00 0.00 179.01 179.84 1n76 h LEU 355 N 0.10 0.41 -0.46 1.33 5.85 -0.82 -2.25 115.31 119.46 1n76 h LEU 355 Ca -0.03 -0.19 -0.17 0.00 0.84 0.00 0.00 57.88 58.34 1n76 h LEU 355 Cb 1.37 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1n76 h LEU 355 CO 0.12 0.81 -0.60 -0.09 -0.34 0.00 0.00 178.44 178.33 1n76 h ARG 356 N 0.31 0.56 0.00 1.25 2.43 -1.19 -1.69 114.38 116.05 1n76 h ARG 356 Ca 0.02 -0.38 -0.10 0.00 -0.81 0.00 0.00 59.98 58.72 1n76 h ARG 356 Cb 0.92 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1n76 h ARG 356 CO 0.08 0.99 -0.48 -0.22 -1.51 0.00 0.00 179.97 178.83 1n76 h LYS 357 N 0.42 0.00 0.03 0.20 3.64 -1.38 -3.12 116.57 116.35 1n76 h LYS 357 Ca -0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.12 1n76 h LYS 357 Cb 1.15 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1n76 h LYS 357 CO 0.11 0.48 -1.01 0.00 -2.27 0.00 0.00 179.45 176.76 1n76 h ASN 359 N 0.28 0.48 -0.34 0.00 2.35 -1.27 -1.71 115.58 115.36 1n76 h ASN 359 Ca -0.13 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 1n76 h ASN 359 Cb 1.68 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.92 1n76 h ASN 359 CO 0.20 0.34 0.12 -0.61 -1.65 0.00 0.00 177.43 175.82 1n76 h GLN 360 N 0.56 0.52 -0.81 0.81 4.15 -1.48 -2.46 115.11 116.40 1n76 h GLN 360 Ca 0.19 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 59.53 1n76 h GLN 360 Cb 0.06 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.63 1n76 h GLN 360 CO -0.05 0.54 0.54 2.35 -1.93 0.00 0.00 178.83 180.28 1n76 h TRP 361 N 0.40 0.99 -0.05 3.99 7.01 -1.10 -3.10 115.95 124.09 1n76 h TRP 361 Ca 0.11 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 61.01 1n76 h TRP 361 Cb 0.23 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 1n76 h TRP 361 CO 0.00 0.59 -0.53 1.03 -2.79 0.00 0.00 178.44 176.74 1n76 h SER 362 N 1.04 0.14 0.53 2.65 0.87 -0.90 -1.42 113.55 116.47 1n76 h SER 362 Ca 0.31 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.76 1n76 h SER 362 Cb -0.02 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1n76 h SER 362 CO -0.08 0.65 -0.21 1.23 -0.53 0.00 0.00 176.83 177.88 1n76 h GLY 363 N 1.49 0.00 -1.00 5.77 0.00 -1.38 -3.16 103.07 104.79 1n76 h GLY 363 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1n76 h GLY 363 CO 0.08 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.66 1n76 n LEU 364 N -3.67 2.76 -0.07 3.11 4.32 -0.65 -4.53 117.00 118.28 1n76 n LEU 364 Ca -0.01 -2.06 0.13 0.00 -0.02 0.00 0.00 56.01 54.05 1n76 n LEU 364 Cb 0.34 -0.20 0.49 0.00 -1.62 0.00 0.00 43.42 42.43 1n76 n LEU 364 CO 0.33 0.68 0.76 -1.54 -1.22 0.00 0.00 177.39 176.39 1n76 n SER 365 N 0.22 0.42 -3.02 -1.43 3.41 -0.63 -4.95 113.62 107.65 1n76 n SER 365 Ca 0.10 -0.27 -0.19 0.00 -0.26 0.00 0.00 58.87 58.25 1n76 n SER 365 Cb 0.41 -0.06 0.07 0.00 -0.26 0.00 0.00 64.21 64.37 1n76 n SER 365 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1n76 n GLU 366 N -1.20 -6.43 -2.58 4.33 1.02 -1.26 -3.00 120.64 111.52 1n76 n GLU 366 Ca 0.10 0.68 -0.19 0.00 -0.02 0.00 0.00 57.16 57.72 1n76 n GLU 366 Cb 0.31 -5.25 0.01 0.00 -0.02 0.00 0.00 31.44 26.49 1n76 n GLU 366 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n76 n GLY 367 N -1.69 -0.41 0.28 0.62 0.00 -1.26 -4.88 105.19 97.85 1n76 n GLY 367 Ca -0.01 -0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.04 1n76 n GLY 367 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n76 n SER 368 N -1.80 1.38 -3.73 1.61 3.41 -1.16 -4.90 113.62 108.42 1n76 n SER 368 Ca -0.18 -1.19 -0.13 0.00 -0.26 0.00 0.00 58.87 57.11 1n76 n SER 368 Cb 0.65 0.51 -0.14 0.00 -0.26 0.00 0.00 64.21 64.97 1n76 n SER 368 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1n76 s VAL 369 N -1.71 -0.04 0.36 -3.33 1.01 -1.26 -2.26 120.40 113.16 1n76 s VAL 369 Ca 0.11 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.28 1n76 s VAL 369 Cb 0.11 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 1n76 s VAL 369 CO 0.35 0.07 0.10 0.28 0.00 0.00 0.00 175.10 175.90 1n76 s THR 370 N 1.23 0.83 0.12 3.92 -1.32 -0.90 -4.47 115.64 115.05 1n76 s THR 370 Ca -0.09 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.47 1n76 s THR 370 Cb -0.11 -2.56 -0.04 0.00 -1.51 0.00 0.00 72.50 68.29 1n76 s THR 370 CO -0.08 0.00 -0.19 0.00 -2.21 0.00 0.00 174.62 172.15 1n76 n SER 372 N 0.81 2.03 -3.55 0.00 2.88 0.28 -4.93 113.62 111.15 1n76 n SER 372 Ca -0.17 -1.44 -0.11 0.00 -1.33 0.00 0.00 58.87 55.82 1n76 n SER 372 Cb 0.55 0.05 -0.04 0.00 -0.75 0.00 0.00 64.21 64.02 1n76 n SER 372 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1n76 s SER 373 N -1.60 -0.40 0.21 -3.46 0.15 -1.26 -2.63 113.70 104.71 1n76 s SER 373 Ca 0.02 0.30 -0.21 0.00 0.70 0.00 0.00 55.95 56.77 1n76 s SER 373 Cb -0.00 0.35 0.04 0.00 -1.71 0.00 0.00 66.02 64.70 1n76 s SER 373 CO 0.01 -0.46 0.61 0.00 1.20 0.00 0.00 173.24 174.61 1n76 s ALA 374 N -1.77 -1.28 -0.45 5.45 0.00 -0.82 -4.89 121.76 118.01 1n76 s ALA 374 Ca -0.00 0.02 0.23 0.00 0.00 0.00 0.00 51.96 52.21 1n76 s ALA 374 Cb -0.01 0.87 0.32 0.00 0.00 0.00 0.00 23.12 24.30 1n76 s ALA 374 CO -0.01 -0.86 1.47 0.66 0.00 0.00 0.00 175.76 177.01 1n76 h SER 375 N 2.06 0.00 -5.19 0.00 4.64 -1.96 -1.98 113.55 111.12 1n76 h SER 375 Ca -0.28 -0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 60.82 1n76 h SER 375 Cb 1.28 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.22 1n76 h SER 375 CO 0.33 0.01 -0.65 0.42 -0.87 0.00 0.00 176.83 176.07 1n76 s THR 376 N -3.23 0.25 0.15 2.95 -4.23 -1.26 -4.39 115.64 105.87 1n76 s THR 376 Ca 0.06 -1.92 -0.16 0.00 -1.18 0.00 0.00 61.69 58.49 1n76 s THR 376 Cb 0.08 -2.03 0.01 0.00 1.34 0.00 0.00 72.50 71.90 1n76 s THR 376 CO 0.69 -0.50 1.74 0.74 -0.54 0.00 0.00 174.62 176.76 1n76 h THR 377 N 2.84 1.16 -0.41 3.99 2.02 -1.89 -3.07 112.91 117.55 1n76 h THR 377 Ca -0.35 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 66.40 1n76 h THR 377 Cb 1.20 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1n76 h THR 377 CO 0.60 0.17 0.26 -0.33 0.37 0.00 0.00 175.52 176.59 1n76 h GLU 378 N 0.56 0.51 -0.16 6.66 4.39 -1.97 -2.09 114.58 122.48 1n76 h GLU 378 Ca 0.15 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.87 1n76 h GLU 378 Cb 0.07 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1n76 h GLU 378 CO -0.02 0.34 0.11 -0.44 -1.16 0.00 0.00 179.01 177.84 1n76 h ASP 379 N 0.52 0.00 0.48 1.42 5.19 -1.96 -0.91 116.42 121.17 1n76 h ASP 379 Ca 0.15 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.33 1n76 h ASP 379 Cb -0.03 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.48 1n76 h ASP 379 CO -0.05 0.00 -1.01 0.00 -3.12 0.00 0.00 179.24 175.06 1n76 h ILE 381 N 0.16 1.24 -0.13 0.00 2.04 -0.59 -1.83 117.51 118.39 1n76 h ILE 381 Ca -0.08 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.72 1n76 h ILE 381 Cb 1.67 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 1n76 h ILE 381 CO 0.17 0.35 -0.05 0.00 0.00 0.00 0.00 178.15 178.62 1n76 h ALA 382 N 1.29 1.68 -0.02 1.87 0.00 -1.26 -2.21 119.26 120.61 1n76 h ALA 382 Ca 0.12 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1n76 h ALA 382 Cb 0.48 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1n76 h ALA 382 CO 0.02 0.24 -0.72 -0.07 0.00 0.00 0.00 179.25 178.73 1n76 h LEU 383 N 0.18 0.14 -0.48 0.00 3.38 -1.20 -0.77 115.31 116.55 1n76 h LEU 383 Ca 0.04 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 1n76 h LEU 383 Cb 0.22 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1n76 h LEU 383 CO 0.01 0.81 -0.67 0.58 0.09 0.00 0.00 178.44 179.25 1n76 h VAL 384 N 0.07 1.37 -0.31 1.22 2.07 -1.15 -1.47 116.25 118.06 1n76 h VAL 384 Ca -0.02 -2.06 -0.11 0.00 0.82 0.00 0.00 66.70 65.34 1n76 h VAL 384 Cb 1.27 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 1n76 h VAL 384 CO 0.10 0.62 -0.27 -0.07 0.02 0.00 0.00 177.57 177.97 1n76 h LEU 385 N 0.27 0.64 0.00 2.57 3.38 -1.17 -2.83 115.31 118.18 1n76 h LEU 385 Ca -0.02 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1n76 h LEU 385 Cb 1.22 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1n76 h LEU 385 CO 0.11 0.89 0.00 0.29 0.09 0.00 0.00 178.44 179.82 1n76 n LYS 386 N -4.10 0.96 -0.95 1.13 5.02 -0.32 -3.55 118.16 116.35 1n76 n LYS 386 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1n76 n LYS 386 Cb 0.44 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 1n76 n LYS 386 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n76 n GLY 387 N 0.92 0.34 0.11 0.72 0.00 -0.97 -4.85 105.19 101.46 1n76 n GLY 387 Ca 0.23 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 1n76 n GLY 387 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1n76 h GLU 388 N 0.80 0.29 -5.65 1.61 5.08 -1.55 -3.46 114.58 111.70 1n76 h GLU 388 Ca 0.00 -0.49 -0.62 0.00 -1.00 0.00 0.00 59.36 57.25 1n76 h GLU 388 Cb 0.34 0.18 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 1n76 h GLU 388 CO 0.00 1.19 -0.39 0.00 -1.00 0.00 0.00 179.01 178.81 1n76 s ALA 389 N -2.63 4.30 0.07 3.43 0.00 -0.99 -4.94 121.76 121.01 1n76 s ALA 389 Ca -0.08 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1n76 s ALA 389 Cb 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1n76 s ALA 389 CO 0.87 -0.28 0.00 -0.25 0.00 0.00 0.00 175.76 176.10 1n76 n ASP 390 N -1.57 0.23 -4.44 0.00 8.00 0.23 -4.31 116.55 114.68 1n76 n ASP 390 Ca -0.08 0.11 -0.21 0.00 0.71 0.00 0.00 54.79 55.31 1n76 n ASP 390 Cb 0.65 -0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 41.64 1n76 n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1n76 s ALA 391 N -2.00 2.34 -0.29 2.24 0.00 -1.04 -4.38 121.76 118.64 1n76 s ALA 391 Ca 0.00 -2.01 -0.22 0.00 0.00 0.00 0.00 51.96 49.73 1n76 s ALA 391 Cb 0.00 0.51 0.16 0.00 0.00 0.00 0.00 23.12 23.80 1n76 s ALA 391 CO 0.00 -0.24 1.20 0.00 0.00 0.00 0.00 175.76 176.72 1n76 s MET 392 N -3.84 0.25 -0.13 0.00 0.23 -1.17 -1.51 119.30 113.12 1n76 s MET 392 Ca 0.34 0.34 -0.29 0.00 -1.03 0.00 0.00 55.69 55.05 1n76 s MET 392 Cb 0.07 0.10 -0.04 0.00 -1.53 0.00 0.00 34.83 33.44 1n76 s MET 392 CO 0.14 -0.04 1.53 0.45 -2.03 0.00 0.00 175.02 175.08 1n76 s SER 393 N 0.50 6.67 0.09 -1.18 0.15 -1.26 -1.91 113.70 116.76 1n76 s SER 393 Ca 0.01 1.91 0.10 0.00 0.70 0.00 0.00 55.95 58.67 1n76 s SER 393 Cb -0.04 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 1n76 s SER 393 CO -0.12 -0.97 -0.26 -0.76 1.20 0.00 0.00 173.24 172.34 1n76 s LEU 394 N 4.19 2.30 0.48 3.45 1.43 -0.82 -4.93 118.68 124.78 1n76 s LEU 394 Ca 0.67 -0.65 -0.19 0.00 -1.03 0.00 0.00 54.13 52.93 1n76 s LEU 394 Cb -0.28 -1.29 -0.09 0.00 0.03 0.00 0.00 46.19 44.56 1n76 s LEU 394 CO 0.25 0.22 0.99 -0.62 0.23 0.00 0.00 176.35 177.42 1n76 s ASP 395 N -1.68 6.59 0.57 2.29 2.15 -1.26 -1.30 116.67 124.02 1n76 s ASP 395 Ca 0.13 1.75 0.40 0.00 0.43 0.00 0.00 52.55 55.26 1n76 s ASP 395 Cb -0.10 -2.54 1.51 0.00 -0.30 0.00 0.00 42.92 41.49 1n76 s ASP 395 CO 0.05 -0.60 1.64 1.23 -0.17 0.00 0.00 175.17 177.31 1n76 h GLY 396 N 1.48 0.00 1.41 2.66 0.00 -1.79 0.68 103.07 107.50 1n76 h GLY 396 Ca -0.49 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 46.58 1n76 h GLY 396 CO 0.60 0.00 -1.13 -1.33 0.00 0.00 0.00 176.54 174.68 1n76 h GLY 397 N 0.00 0.56 1.85 4.60 0.00 -1.89 -2.53 103.07 105.66 1n76 h GLY 397 Ca 0.66 -1.13 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1n76 h GLY 397 CO -0.01 0.99 -0.04 -1.72 0.00 0.00 0.00 176.54 175.76 1n76 n TYR 398 N -3.74 0.00 0.18 5.60 4.01 0.23 -2.94 117.16 120.50 1n76 n TYR 398 Ca -0.10 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.69 1n76 n TYR 398 Cb 0.93 -0.45 0.30 0.00 -0.31 0.00 0.00 39.34 39.81 1n76 n TYR 398 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1n76 h VAL 399 N 0.01 0.86 0.02 -0.72 2.07 -0.87 -2.25 116.25 115.37 1n76 h VAL 399 Ca 0.00 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 65.92 1n76 h VAL 399 Cb 0.47 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1n76 h VAL 399 CO 0.00 0.38 -0.01 0.22 0.02 0.00 0.00 177.57 178.18 1n76 h TYR 400 N 0.00 -0.02 -0.53 1.57 3.20 -1.53 -0.55 116.97 119.11 1n76 h TYR 400 Ca -0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 1n76 h TYR 400 Cb 0.96 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 1n76 h TYR 400 CO 0.00 0.48 0.15 1.15 -1.64 0.00 0.00 178.16 178.30 1n76 h THR 401 N -0.54 1.24 -0.07 1.81 2.02 -1.64 0.63 112.91 116.36 1n76 h THR 401 Ca -0.00 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.33 1n76 h THR 401 Cb 0.51 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1n76 h THR 401 CO 0.00 0.30 -0.06 0.00 0.37 0.00 0.00 175.52 176.14 1n76 h ALA 402 N 1.02 1.78 -0.11 6.16 0.00 -1.44 -2.54 119.26 124.12 1n76 h ALA 402 Ca 0.17 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1n76 h ALA 402 Cb 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1n76 h ALA 402 CO -0.00 0.17 -0.45 0.78 0.00 0.00 0.00 179.25 179.74 1n76 h GLY 403 N 0.38 0.29 -1.09 0.00 0.00 0.19 -2.10 103.07 100.73 1n76 h GLY 403 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1n76 h GLY 403 CO 0.01 0.27 0.00 0.28 0.00 0.00 0.00 176.54 177.10 1n76 n LYS 404 N -3.99 1.94 -0.19 4.80 5.02 -0.44 -2.77 118.16 122.53 1n76 n LYS 404 Ca -0.02 -1.37 0.09 0.00 -2.02 0.00 0.00 58.31 54.99 1n76 n LYS 404 Cb 0.51 -1.46 0.19 0.00 -0.02 0.00 0.00 35.03 34.25 1n76 n LYS 404 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n76 n GLY 406 N 1.10 1.62 3.78 0.00 0.00 -1.11 -5.03 105.19 105.53 1n76 n GLY 406 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1n76 n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n76 s LEU 407 N 0.00 3.13 0.13 0.99 1.43 -1.02 -4.78 118.68 118.55 1n76 s LEU 407 Ca 0.00 1.83 0.02 0.00 -1.03 0.00 0.00 54.13 54.95 1n76 s LEU 407 Cb 0.00 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 1n76 s LEU 407 CO 0.00 -1.86 -0.06 0.68 0.23 0.00 0.00 176.35 175.35 1n76 s VAL 408 N -2.81 0.79 0.56 -1.59 -7.23 -0.75 -4.46 120.40 104.91 1n76 s VAL 408 Ca 0.62 -1.97 -0.18 0.00 -1.81 0.00 0.00 61.98 58.63 1n76 s VAL 408 Cb -0.17 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 1n76 s VAL 408 CO 0.53 -0.76 1.09 -2.84 -0.31 0.00 0.00 175.10 172.81 1n76 s PRO 409 N -3.84 3.36 0.13 4.82 0.02 -1.26 -2.45 135.00 135.79 1n76 s PRO 409 Ca 0.16 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.63 1n76 s PRO 409 Cb 0.05 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1n76 s PRO 409 CO -0.02 -0.81 0.00 0.28 -0.33 0.00 0.00 177.00 176.12 1n76 n VAL 410 N -1.53 0.77 -4.16 3.83 0.31 -0.16 -4.82 118.33 112.57 1n76 n VAL 410 Ca 0.10 0.26 -0.16 0.00 -0.01 0.00 0.00 64.34 64.53 1n76 n VAL 410 Cb 0.52 -1.28 -0.12 0.00 -0.91 0.00 0.00 33.84 32.04 1n76 n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1n76 s LEU 411 N -6.83 2.20 0.15 7.52 1.43 -1.21 -4.47 118.68 117.46 1n76 s LEU 411 Ca 0.00 -0.46 0.11 0.00 -1.03 0.00 0.00 54.13 52.75 1n76 s LEU 411 Cb 0.00 -0.33 -0.04 0.00 0.03 0.00 0.00 46.19 45.85 1n76 s LEU 411 CO 0.00 -0.09 -0.25 0.00 0.23 0.00 0.00 176.35 176.25 1n76 s ALA 412 N -1.02 2.32 0.19 4.21 0.00 -0.74 0.58 121.76 127.29 1n76 s ALA 412 Ca -0.04 -1.49 -0.30 0.00 0.00 0.00 0.00 51.96 50.13 1n76 s ALA 412 Cb -0.08 -0.34 -0.08 0.00 0.00 0.00 0.00 23.12 22.62 1n76 s ALA 412 CO 0.01 0.47 1.15 -1.21 0.00 0.00 0.00 175.76 176.17 1n76 s GLU 413 N -2.26 4.54 -0.44 0.00 2.02 -0.10 -1.40 118.70 121.06 1n76 s GLU 413 Ca 0.15 1.81 0.01 0.00 0.02 0.00 0.00 54.97 56.96 1n76 s GLU 413 Cb -0.09 -3.25 0.12 0.00 0.10 0.00 0.00 34.13 31.00 1n76 s GLU 413 CO 0.07 -0.01 0.20 1.21 0.02 0.00 0.00 175.26 176.75 1n76 s ASN 414 N -0.01 4.83 0.56 -0.19 3.84 -0.82 -4.59 114.94 118.56 1n76 s ASN 414 Ca 0.51 -2.45 -0.16 0.00 0.21 0.00 0.00 52.86 50.97 1n76 s ASN 414 Cb -0.31 -1.71 -0.05 0.00 -0.55 0.00 0.00 41.25 38.63 1n76 s ASN 414 CO 0.36 -0.38 1.03 -0.31 -2.79 0.00 0.00 177.10 175.01 1n76 s TYR 415 N 0.51 3.17 0.11 0.43 2.02 -1.26 -1.24 117.35 121.08 1n76 s TYR 415 Ca 0.13 1.49 -0.36 0.00 -0.37 0.00 0.00 57.07 57.96 1n76 s TYR 415 Cb -0.22 -2.92 -0.17 0.00 -0.40 0.00 0.00 41.96 38.25 1n76 s TYR 415 CO -0.04 -0.83 1.22 1.17 -1.57 0.00 0.00 175.55 175.49 1n76 n LYS 416 N -1.87 0.96 -1.40 -0.62 4.81 -1.25 -4.82 118.16 113.97 1n76 n LYS 416 Ca 0.08 0.34 -0.33 0.00 -0.87 0.00 0.00 58.31 57.54 1n76 n LYS 416 Cb 0.53 -1.90 0.09 0.00 0.02 0.00 0.00 35.03 33.77 1n76 n LYS 416 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1n76 s SER 417 N 0.21 4.41 -1.12 3.14 1.04 -1.26 -4.83 113.70 115.29 1n76 s SER 417 Ca 0.81 2.08 -0.24 0.00 0.48 0.00 0.00 55.95 59.07 1n76 s SER 417 Cb -0.96 -2.56 -0.14 0.00 0.10 0.00 0.00 66.02 62.46 1n76 s SER 417 CO 0.50 -2.11 2.02 -1.10 0.98 0.00 0.00 173.24 173.54 1n76 s GLN 418 N -4.32 1.95 -0.18 4.02 -1.52 -1.26 -4.09 119.66 114.26 1n76 s GLN 418 Ca 0.67 -0.78 -0.16 0.00 -1.95 0.00 0.00 55.36 53.14 1n76 s GLN 418 Cb -0.22 -5.12 0.02 0.00 -0.22 0.00 0.00 33.01 27.48 1n76 s GLN 418 CO 0.48 -4.57 0.27 1.04 -0.25 0.00 0.00 175.29 172.26 1n76 n GLN 419 N 8.29 -0.84 0.05 2.91 3.00 -1.26 -4.97 117.38 124.56 1n76 n GLN 419 Ca 0.43 0.75 0.00 0.00 -0.01 0.00 0.00 57.00 58.18 1n76 n GLN 419 Cb 0.47 -1.03 0.00 0.00 0.00 0.00 0.00 30.24 29.67 1n76 n GLN 419 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1n76 n SER 420 N 0.66 0.88 -2.70 1.08 7.64 -1.26 -5.14 113.62 114.78 1n76 n SER 420 Ca -0.04 0.16 -0.12 0.00 1.01 0.00 0.00 58.87 59.88 1n76 n SER 420 Cb 0.40 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.33 1n76 n SER 420 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1n76 n SER 421 N -3.39 1.33 -5.03 6.43 3.41 -1.26 -5.16 113.62 109.95 1n76 n SER 421 Ca 0.00 -2.02 -0.20 0.00 -0.26 0.00 0.00 58.87 56.40 1n76 n SER 421 Cb 0.00 0.43 0.07 0.00 -0.26 0.00 0.00 64.21 64.45 1n76 n SER 421 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1n76 s ASP 422 N -2.19 5.03 -0.33 4.04 1.01 -1.26 -4.89 116.67 118.09 1n76 s ASP 422 Ca 0.08 -0.89 -0.03 0.00 0.71 0.00 0.00 52.55 52.42 1n76 s ASP 422 Cb 0.00 0.41 -0.11 0.00 1.01 0.00 0.00 42.92 44.23 1n76 s ASP 422 CO 0.06 -1.41 0.90 -2.65 0.21 0.00 0.00 175.17 172.27 1n76 n PRO 423 N -2.30 0.00 -1.80 8.23 -0.02 -1.26 -4.68 135.00 133.18 1n76 n PRO 423 Ca 0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 1n76 n PRO 423 Cb 0.62 -0.52 -0.03 0.00 -0.02 0.00 0.00 33.50 33.55 1n76 n PRO 423 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1n76 s ASP 424 N 0.00 6.47 0.08 2.55 -1.08 -1.26 -4.93 116.67 118.51 1n76 s ASP 424 Ca 0.43 2.72 -0.18 0.00 -0.52 0.00 0.00 52.55 55.00 1n76 s ASP 424 Cb -0.28 -2.58 -0.08 0.00 -1.46 0.00 0.00 42.92 38.52 1n76 s ASP 424 CO 0.19 -0.94 1.51 -0.65 0.52 0.00 0.00 175.17 175.80 1n76 h PRO 425 N 7.62 0.46 -1.87 4.34 0.11 -2.04 -3.25 132.00 137.37 1n76 h PRO 425 Ca -0.44 -0.16 -0.51 0.00 0.11 0.00 0.00 66.00 65.01 1n76 h PRO 425 Cb 1.21 -0.04 -0.19 0.00 0.11 0.00 0.00 31.00 32.09 1n76 h PRO 425 CO 0.94 0.65 0.49 0.09 -0.21 0.00 0.00 178.00 179.96 1n76 n ASN 426 N -4.60 6.65 -0.01 -2.05 4.13 -1.26 -4.56 115.26 113.56 1n76 n ASN 426 Ca -0.03 -3.28 -0.01 0.00 1.68 0.00 0.00 54.58 52.93 1n76 n ASN 426 Cb 0.26 -1.17 0.26 0.00 -1.54 0.00 0.00 39.78 37.59 1n76 n ASN 426 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1n76 h VAL 428 N 0.51 1.29 -0.02 0.00 2.07 -1.84 -2.77 116.25 115.48 1n76 h VAL 428 Ca 0.10 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1n76 h VAL 428 Cb 0.43 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1n76 h VAL 428 CO 0.02 0.43 -0.13 0.47 0.02 0.00 0.00 177.57 178.38 1n76 n ASP 429 N -4.06 2.42 -4.71 0.57 8.00 -1.01 -2.50 116.55 115.26 1n76 n ASP 429 Ca -0.01 -1.74 -0.42 0.00 0.71 0.00 0.00 54.79 53.33 1n76 n ASP 429 Cb 0.45 0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.65 1n76 n ASP 429 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1n76 s ARG 430 N -2.15 4.46 0.46 -1.24 3.52 -0.64 -4.97 118.95 118.39 1n76 s ARG 430 Ca 0.27 1.65 -0.23 0.00 -0.13 0.00 0.00 55.73 57.29 1n76 s ARG 430 Cb 0.20 -3.40 -0.07 0.00 -1.56 0.00 0.00 34.95 30.11 1n76 s ARG 430 CO 0.39 -0.21 1.17 -2.14 -0.81 0.00 0.00 175.30 173.69 1n76 s PRO 431 N 1.16 3.73 0.28 5.12 0.02 -1.26 -4.83 135.00 139.22 1n76 s PRO 431 Ca 0.56 1.78 -0.29 0.00 0.02 0.00 0.00 61.00 63.08 1n76 s PRO 431 Cb -0.26 -2.39 -0.09 0.00 0.02 0.00 0.00 34.50 31.78 1n76 s PRO 431 CO 0.28 -0.58 1.01 0.14 -0.33 0.00 0.00 177.00 177.52 1n76 s VAL 432 N -1.55 3.83 -0.08 3.83 -7.23 -1.26 -4.95 120.40 113.00 1n76 s VAL 432 Ca 0.64 1.75 0.20 0.00 -1.81 0.00 0.00 61.98 62.76 1n76 s VAL 432 Cb -0.29 -4.07 -0.31 0.00 0.56 0.00 0.00 36.38 32.27 1n76 s VAL 432 CO 0.35 0.34 0.35 -0.62 -0.31 0.00 0.00 175.10 175.21 1n76 n GLU 433 N 1.07 0.68 0.00 4.82 1.02 -1.26 -5.09 120.64 121.88 1n76 n GLU 433 Ca -0.00 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1n76 n GLU 433 Cb 0.47 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1n76 n GLU 433 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n76 n GLY 434 N 1.43 -0.67 3.98 0.62 0.00 -1.26 -5.04 105.19 104.24 1n76 n GLY 434 Ca -0.12 -1.59 -0.20 0.00 0.00 0.00 0.00 46.02 44.11 1n76 n GLY 434 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1n76 s TYR 435 N -3.05 2.20 -0.21 1.61 1.13 -0.45 -4.93 117.35 113.65 1n76 s TYR 435 Ca 0.00 -0.58 -0.04 0.00 -1.41 0.00 0.00 57.07 55.04 1n76 s TYR 435 Cb 0.00 -2.22 -0.02 0.00 -1.10 0.00 0.00 41.96 38.62 1n76 s TYR 435 CO 0.00 -0.59 -0.02 -0.51 -2.51 0.00 0.00 175.55 171.92 1n76 s LEU 436 N -4.39 3.06 -0.14 -3.49 1.43 -1.26 -0.43 118.68 113.46 1n76 s LEU 436 Ca 0.53 -0.31 -0.27 0.00 -1.03 0.00 0.00 54.13 53.05 1n76 s LEU 436 Cb -0.06 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 1n76 s LEU 436 CO 0.32 0.02 0.92 0.00 0.23 0.00 0.00 176.35 177.84 1n76 s ALA 437 N 1.26 3.47 0.17 4.21 0.00 -0.64 -3.15 121.76 127.08 1n76 s ALA 437 Ca 0.03 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1n76 s ALA 437 Cb -0.14 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1n76 s ALA 437 CO -0.00 -0.63 0.04 0.14 0.00 0.00 0.00 175.76 175.31 1n76 s VAL 438 N 2.09 0.39 0.10 0.00 -7.23 -0.93 -1.84 120.40 112.97 1n76 s VAL 438 Ca 0.43 -1.95 0.05 0.00 -1.81 0.00 0.00 61.98 58.70 1n76 s VAL 438 Cb -0.17 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 1n76 s VAL 438 CO 0.15 -0.39 -0.01 0.00 -0.31 0.00 0.00 175.10 174.54 1n76 s ALA 439 N -3.86 3.27 0.01 1.32 0.00 -1.26 -2.85 121.76 118.38 1n76 s ALA 439 Ca 0.26 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 51.10 1n76 s ALA 439 Cb 0.07 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 1n76 s ALA 439 CO 0.05 0.68 -0.05 0.08 0.00 0.00 0.00 175.76 176.52 1n76 s VAL 440 N -1.33 0.37 0.25 0.00 1.01 -0.72 -3.31 120.40 116.66 1n76 s VAL 440 Ca 0.26 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 1n76 s VAL 440 Cb -0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1n76 s VAL 440 CO 0.18 -0.02 0.34 0.68 0.00 0.00 0.00 175.10 176.29 1n76 s VAL 441 N -0.40 0.00 0.60 2.92 -7.23 -0.69 -1.17 120.40 114.43 1n76 s VAL 441 Ca -0.01 -1.67 -0.06 0.00 -1.81 0.00 0.00 61.98 58.42 1n76 s VAL 441 Cb -0.04 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.53 1n76 s VAL 441 CO -0.00 0.00 0.91 -0.13 -0.31 0.00 0.00 175.10 175.57 1n76 s ARG 442 N -3.92 2.89 -0.10 4.82 0.52 -1.26 -1.54 118.95 120.36 1n76 s ARG 442 Ca 0.30 -0.00 -0.23 0.00 -0.52 0.00 0.00 55.73 55.28 1n76 s ARG 442 Cb 0.02 -2.26 -0.28 0.00 0.52 0.00 0.00 34.95 32.95 1n76 s ARG 442 CO 0.12 -0.72 0.71 -0.09 0.02 0.00 0.00 175.30 175.34 1n76 h ARG 443 N -0.20 0.17 -0.97 3.54 2.43 -1.83 -3.30 114.38 114.21 1n76 h ARG 443 Ca -0.45 -0.29 0.27 0.00 -0.81 0.00 0.00 59.98 58.70 1n76 h ARG 443 Cb 1.26 0.11 -0.14 0.00 -0.42 0.00 0.00 29.97 30.78 1n76 h ARG 443 CO 0.61 1.14 0.51 0.77 -1.51 0.00 0.00 179.97 181.48 1n76 h SER 444 N -0.61 0.47 -2.22 -3.80 0.02 -1.95 -3.29 113.55 102.18 1n76 h SER 444 Ca -0.16 0.17 -0.58 0.00 -0.84 0.00 0.00 61.79 60.39 1n76 h SER 444 Cb 1.44 0.12 -0.10 0.00 0.14 0.00 0.00 62.40 64.00 1n76 h SER 444 CO 0.05 -0.05 1.01 -1.81 -1.14 0.00 0.00 176.83 174.89 1n76 s ASP 445 N -5.05 6.24 0.01 3.07 1.01 -1.24 -4.78 116.67 115.92 1n76 s ASP 445 Ca -0.11 -0.82 0.14 0.00 0.71 0.00 0.00 52.55 52.47 1n76 s ASP 445 Cb 0.28 -2.52 -0.18 0.00 1.01 0.00 0.00 42.92 41.51 1n76 s ASP 445 CO 0.79 -1.65 0.76 0.71 0.21 0.00 0.00 175.17 175.98 1n76 h THR 446 N 6.14 0.70 0.00 -1.27 1.35 -1.86 -3.35 112.91 114.61 1n76 h THR 446 Ca -0.18 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.30 1n76 h THR 446 Cb 1.05 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 1n76 h THR 446 CO 1.27 0.40 0.00 -1.54 -0.25 0.00 0.00 175.52 175.40 1n76 n SER 447 N -2.98 0.50 -4.68 5.36 3.41 -1.26 -4.76 113.62 109.20 1n76 n SER 447 Ca -0.13 0.65 -0.42 0.00 -0.26 0.00 0.00 58.87 58.70 1n76 n SER 447 Cb 0.95 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 1n76 n SER 447 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1n76 s LEU 448 N -4.15 4.28 0.29 1.04 1.98 -1.26 -4.96 118.68 115.90 1n76 s LEU 448 Ca 0.03 1.89 0.03 0.00 -2.89 0.00 0.00 54.13 53.19 1n76 s LEU 448 Cb 0.08 -3.56 -0.04 0.00 0.66 0.00 0.00 46.19 43.34 1n76 s LEU 448 CO 0.31 -0.65 0.18 0.42 -1.89 0.00 0.00 176.35 174.72 1n76 s THR 449 N 2.47 0.20 0.34 3.68 -4.23 -1.26 -5.02 115.64 111.81 1n76 s THR 449 Ca 0.58 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.30 1n76 s THR 449 Cb -0.26 -2.50 0.20 0.00 1.34 0.00 0.00 72.50 71.27 1n76 s THR 449 CO 0.22 0.00 1.92 -0.25 -0.54 0.00 0.00 174.62 175.98 1n76 h TRP 450 N 2.26 0.00 0.00 3.99 -0.00 -1.83 -1.76 115.95 118.61 1n76 h TRP 450 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.57 1n76 h TRP 450 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.41 1n76 h TRP 450 CO 1.07 0.24 -0.08 0.09 -0.00 0.00 0.00 178.44 179.76 1n76 n ASN 451 N -3.77 0.56 -0.26 2.65 3.02 -1.26 -3.66 115.26 112.54 1n76 n ASN 451 Ca -0.01 0.48 0.07 0.00 -0.03 0.00 0.00 54.58 55.09 1n76 n ASN 451 Cb 0.34 -0.58 0.11 0.00 -0.61 0.00 0.00 39.78 39.05 1n76 n ASN 451 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1n76 n SER 452 N -2.00 1.72 0.09 6.41 3.41 -0.97 -4.76 113.62 117.52 1n76 n SER 452 Ca 0.06 -2.89 -0.05 0.00 -0.26 0.00 0.00 58.87 55.72 1n76 n SER 452 Cb 0.40 -0.38 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 1n76 n SER 452 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1n76 h VAL 453 N 1.87 1.61 -2.77 -3.33 3.04 -1.40 -3.44 116.25 111.82 1n76 h VAL 453 Ca -0.01 -2.92 -0.53 0.00 -1.01 0.00 0.00 66.70 62.23 1n76 h VAL 453 Cb 1.12 2.59 0.04 0.00 -2.01 0.00 0.00 31.29 33.02 1n76 h VAL 453 CO 0.00 0.84 0.93 -1.59 -1.01 0.00 0.00 177.57 176.74 1n76 s LYS 454 N -3.05 4.20 0.00 4.17 -2.85 -1.26 -2.61 119.74 118.34 1n76 s LYS 454 Ca -0.00 2.39 0.00 0.00 -1.00 0.00 0.00 55.97 57.35 1n76 s LYS 454 Cb 0.11 -3.26 0.00 0.00 -2.06 0.00 0.00 37.83 32.62 1n76 s LYS 454 CO 0.80 -0.66 0.00 0.41 0.10 0.00 0.00 175.35 176.01 1n76 n GLY 455 N 3.84 0.86 3.83 0.59 0.00 -1.10 -5.04 105.19 108.19 1n76 n GLY 455 Ca 0.15 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1n76 n GLY 455 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n76 s LYS 456 N 0.00 0.37 0.33 1.61 3.01 -1.07 -3.51 119.74 120.47 1n76 s LYS 456 Ca 0.00 -0.21 -0.22 0.00 -1.01 0.00 0.00 55.97 54.52 1n76 s LYS 456 Cb 0.00 -1.80 -0.10 0.00 -1.01 0.00 0.00 37.83 34.93 1n76 s LYS 456 CO 0.00 -2.63 0.88 0.15 0.51 0.00 0.00 175.35 174.26 1n76 s LYS 457 N -5.69 4.37 0.14 1.68 1.02 -1.26 -2.61 119.74 117.39 1n76 s LYS 457 Ca 0.71 1.12 0.05 0.00 0.02 0.00 0.00 55.97 57.87 1n76 s LYS 457 Cb -0.07 -2.62 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 1n76 s LYS 457 CO 0.53 0.21 -0.12 -1.54 -0.92 0.00 0.00 175.35 173.51 1n76 s SER 458 N -1.84 1.90 -0.35 2.83 1.04 -0.97 -1.74 113.70 114.56 1n76 s SER 458 Ca 0.52 -0.91 0.01 0.00 0.48 0.00 0.00 55.95 56.04 1n76 s SER 458 Cb -0.15 -0.04 0.11 0.00 0.10 0.00 0.00 66.02 66.04 1n76 s SER 458 CO 0.20 -0.24 0.13 0.00 0.98 0.00 0.00 173.24 174.31 1n76 s HIS 460 N 1.15 3.50 0.01 0.00 3.76 -0.73 -2.45 115.29 120.53 1n76 s HIS 460 Ca 0.12 0.55 -0.25 0.00 -0.15 0.00 0.00 55.06 55.33 1n76 s HIS 460 Cb -0.20 -2.05 -0.16 0.00 1.11 0.00 0.00 32.58 31.29 1n76 s HIS 460 CO -0.15 0.11 1.18 1.15 -0.85 0.00 0.00 174.74 176.17 1n76 h THR 461 N 1.02 0.44 0.00 1.30 2.02 -1.77 -3.42 112.91 112.51 1n76 h THR 461 Ca -0.48 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.21 1n76 h THR 461 Cb 1.20 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1n76 h THR 461 CO 0.64 0.07 0.00 0.00 0.37 0.00 0.00 175.52 176.60 1n76 n ALA 462 N -2.56 0.00 -1.78 6.16 0.00 -1.26 -2.19 120.51 118.89 1n76 n ALA 462 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 1n76 n ALA 462 Cb 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.75 1n76 n ALA 462 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1n76 n VAL 463 N -0.39 1.92 -1.05 0.00 0.31 -0.93 -2.38 118.33 115.81 1n76 n VAL 463 Ca 0.00 -0.48 -0.02 0.00 -0.01 0.00 0.00 64.34 63.83 1n76 n VAL 463 Cb 0.00 -1.99 -0.01 0.00 -0.91 0.00 0.00 33.84 30.93 1n76 n VAL 463 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1n76 n ASP 464 N 0.58 -4.09 -4.95 4.52 8.00 -1.26 -5.00 116.55 114.35 1n76 n ASP 464 Ca 0.02 0.05 -0.23 0.00 0.71 0.00 0.00 54.79 55.34 1n76 n ASP 464 Cb 0.39 -1.76 0.01 0.00 -0.02 0.00 0.00 41.12 39.73 1n76 n ASP 464 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1n76 s ARG 465 N -1.21 3.15 0.00 -1.24 0.52 -1.00 -3.75 118.95 115.42 1n76 s ARG 465 Ca 0.00 -0.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.71 1n76 s ARG 465 Cb 0.00 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.87 1n76 s ARG 465 CO 0.00 -0.17 0.47 2.41 0.02 0.00 0.00 175.30 178.03 1n76 n THR 466 N -1.99 0.00 0.23 0.02 -1.04 -1.26 -0.39 114.28 109.85 1n76 n THR 466 Ca 0.00 0.92 0.11 0.00 -2.04 0.00 0.00 64.05 63.04 1n76 n THR 466 Cb 0.57 -1.82 0.50 0.00 -1.82 0.00 0.00 70.33 67.77 1n76 n THR 466 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n76 h ALA 467 N -2.00 1.05 0.12 2.41 0.00 -1.90 -2.05 119.26 116.90 1n76 h ALA 467 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 54.91 54.45 1n76 h ALA 467 Cb 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1n76 h ALA 467 CO 0.00 0.26 -1.21 0.78 0.00 0.00 0.00 179.25 179.08 1n76 h GLY 468 N 1.90 0.46 0.00 0.00 0.00 -1.71 -3.40 103.07 100.32 1n76 h GLY 468 Ca -0.00 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 46.30 1n76 h GLY 468 CO 0.03 0.91 -0.27 1.87 0.00 0.00 0.00 176.54 179.07 1n76 n TRP 469 N -3.65 -0.25 0.26 5.60 -0.00 -0.93 -4.41 117.44 114.06 1n76 n TRP 469 Ca -0.10 0.04 0.10 0.00 -0.00 0.00 0.00 57.50 57.54 1n76 n TRP 469 Cb 0.99 0.35 0.69 0.00 -0.00 0.00 0.00 31.31 33.34 1n76 n TRP 469 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1n76 h ASN 470 N 0.00 0.00 0.01 5.87 2.35 -0.05 -2.18 115.58 121.58 1n76 h ASN 470 Ca 0.00 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.38 1n76 h ASN 470 Cb 0.27 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.59 1n76 h ASN 470 CO 0.00 0.03 -2.09 -0.38 -1.65 0.00 0.00 177.43 173.34 1n76 n ILE 471 N -4.31 1.55 -0.03 2.81 5.41 -0.85 -2.44 119.36 121.51 1n76 n ILE 471 Ca -0.03 -0.33 -0.11 0.00 1.00 0.00 0.00 62.75 63.28 1n76 n ILE 471 Cb 0.11 -1.85 -0.05 0.00 -0.71 0.00 0.00 39.64 37.14 1n76 n ILE 471 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1n76 h PRO 472 N -0.75 0.21 0.00 0.38 0.11 -1.79 -1.95 132.00 128.21 1n76 h PRO 472 Ca -0.55 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.46 1n76 h PRO 472 Cb 1.60 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.67 1n76 h PRO 472 CO -0.26 0.27 -0.34 0.52 -0.21 0.00 0.00 178.00 177.98 1n76 h MET 473 N 0.10 0.00 -0.28 1.05 2.86 -1.58 -2.81 114.93 114.27 1n76 h MET 473 Ca 0.05 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 1n76 h MET 473 Cb 0.13 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1n76 h MET 473 CO -0.01 0.34 -0.24 0.78 1.06 0.00 0.00 176.91 178.85 1n76 h GLY 474 N 2.26 0.58 1.78 8.32 0.00 -1.11 -1.00 103.07 113.89 1n76 h GLY 474 Ca -0.00 -0.47 -0.24 0.00 0.00 0.00 0.00 47.33 46.62 1n76 h GLY 474 CO 0.04 0.43 -1.11 1.41 0.00 0.00 0.00 176.54 177.31 1n76 h LEU 475 N 0.47 0.26 -0.33 3.11 3.38 -1.20 -2.93 115.31 118.07 1n76 h LEU 475 Ca 0.07 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1n76 h LEU 475 Cb 0.67 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1n76 h LEU 475 CO 0.05 1.19 0.00 -0.07 0.09 0.00 0.00 178.44 179.70 1n76 h LEU 476 N 0.05 0.00 0.00 1.67 3.38 -1.23 -2.73 115.31 116.45 1n76 h LEU 476 Ca -0.08 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.65 1n76 h LEU 476 Cb 1.84 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.55 1n76 h LEU 476 CO 0.17 0.00 -1.64 0.33 0.09 0.00 0.00 178.44 177.39 1n76 n PHE 477 N -2.31 0.90 0.25 1.13 7.35 -0.41 -2.50 117.46 121.87 1n76 n PHE 477 Ca 0.04 0.31 0.10 0.00 -0.76 0.00 0.00 57.45 57.14 1n76 n PHE 477 Cb 0.35 -1.12 0.63 0.00 0.35 0.00 0.00 39.48 39.69 1n76 n PHE 477 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 1n76 h ASN 478 N 0.00 0.00 0.00 -2.13 -1.24 -1.29 -1.84 115.58 109.07 1n76 h ASN 478 Ca -0.25 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.74 1n76 h ASN 478 Cb 1.83 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.87 1n76 h ASN 478 CO 0.06 0.16 -0.54 1.56 -1.29 0.00 0.00 177.43 177.37 1n76 h GLN 479 N 0.00 0.00 0.02 6.67 4.20 -1.51 -3.41 115.11 121.08 1n76 h GLN 479 Ca -0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1n76 h GLN 479 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1n76 h GLN 479 CO 0.02 0.12 -0.17 1.79 -0.67 0.00 0.00 178.83 179.92 1n76 h THR 480 N -1.00 1.68 0.00 -0.54 1.35 -1.59 -3.47 112.91 109.34 1n76 h THR 480 Ca -0.04 -2.21 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 1n76 h THR 480 Cb 0.56 3.16 0.00 0.00 -1.73 0.00 0.00 68.15 70.14 1n76 h THR 480 CO -0.02 0.59 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 1n76 n GLY 481 N 1.41 1.93 3.74 5.82 0.00 -0.69 -5.04 105.19 112.36 1n76 n GLY 481 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1n76 n GLY 481 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1n76 s SER 482 N -1.76 6.89 0.15 1.61 0.15 -1.26 -4.92 113.70 114.56 1n76 s SER 482 Ca 0.00 2.41 0.27 0.00 0.70 0.00 0.00 55.95 59.32 1n76 s SER 482 Cb 0.00 -2.61 0.85 0.00 -1.71 0.00 0.00 66.02 62.55 1n76 s SER 482 CO 0.00 -0.54 1.76 0.00 1.20 0.00 0.00 173.24 175.66 1n76 s LYS 484 N -3.08 2.99 0.19 0.00 1.02 -1.26 -4.83 119.74 114.76 1n76 s LYS 484 Ca 0.11 0.17 0.26 0.00 0.02 0.00 0.00 55.97 56.52 1n76 s LYS 484 Cb 0.14 -4.25 0.67 0.00 -0.52 0.00 0.00 37.83 33.87 1n76 s LYS 484 CO 0.60 -2.35 1.65 1.19 -0.92 0.00 0.00 175.35 175.51 1n76 n PHE 485 N 10.69 0.83 1.83 3.18 3.72 -1.26 -3.49 117.46 132.96 1n76 n PHE 485 Ca 0.11 0.24 0.16 0.00 -0.05 0.00 0.00 57.45 57.90 1n76 n PHE 485 Cb 0.50 -0.86 0.86 0.00 -0.94 0.00 0.00 39.48 39.04 1n76 n PHE 485 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1n76 n ASP 486 N -2.22 0.18 -0.16 4.37 5.75 -1.26 -3.25 116.55 119.95 1n76 n ASP 486 Ca 0.05 -0.91 0.06 0.00 -0.01 0.00 0.00 54.79 53.98 1n76 n ASP 486 Cb 0.43 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.45 1n76 n ASP 486 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1n76 n GLU 487 N -0.92 2.42 0.28 0.11 1.02 -1.23 -4.62 120.64 117.70 1n76 n GLU 487 Ca 0.22 -0.39 -0.16 0.00 -0.02 0.00 0.00 57.16 56.81 1n76 n GLU 487 Cb 0.16 -1.12 -0.08 0.00 -0.02 0.00 0.00 31.44 30.38 1n76 n GLU 487 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1n76 h TYR 488 N 0.78 -0.86 -3.56 -0.32 -1.99 -1.72 -3.43 116.97 105.87 1n76 h TYR 488 Ca 0.00 -0.01 -0.67 0.00 2.00 0.00 0.00 58.73 60.06 1n76 h TYR 488 Cb 0.36 0.31 -0.16 0.00 2.00 0.00 0.00 36.73 39.25 1n76 h TYR 488 CO 0.00 -0.49 -0.70 -0.06 -0.00 0.00 0.00 178.16 176.91 1n76 s PHE 489 N -6.04 2.88 0.03 4.88 0.08 -1.26 -2.71 117.98 115.85 1n76 s PHE 489 Ca -0.17 -0.05 -0.21 0.00 0.12 0.00 0.00 56.93 56.62 1n76 s PHE 489 Cb 0.05 -1.57 -0.11 0.00 -0.57 0.00 0.00 43.02 40.81 1n76 s PHE 489 CO 0.63 0.40 1.31 0.66 -0.10 0.00 0.00 175.22 178.12 1n76 h SER 490 N 4.24 -0.65 -2.85 1.36 4.64 -1.54 -3.45 113.55 115.30 1n76 h SER 490 Ca -0.48 0.02 -0.51 0.00 -0.47 0.00 0.00 61.79 60.35 1n76 h SER 490 Cb 1.17 0.17 -0.14 0.00 -0.31 0.00 0.00 62.40 63.29 1n76 h SER 490 CO 0.54 -0.45 -0.74 -1.10 -0.87 0.00 0.00 176.83 174.21 1n76 s GLN 491 N -4.64 1.46 -0.26 4.77 -0.21 -1.26 -4.89 119.66 114.63 1n76 s GLN 491 Ca -0.11 -1.66 -0.37 0.00 0.02 0.00 0.00 55.36 53.25 1n76 s GLN 491 Cb 0.01 -1.35 0.15 0.00 1.00 0.00 0.00 33.01 32.83 1n76 s GLN 491 CO 0.33 0.23 1.32 -1.54 -2.12 0.00 0.00 175.29 173.51 1n76 s SER 492 N -3.39 -0.06 -0.31 5.90 1.04 -1.19 -2.30 113.70 113.39 1n76 s SER 492 Ca 0.25 0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.73 1n76 s SER 492 Cb -0.02 0.06 0.09 0.00 0.10 0.00 0.00 66.02 66.25 1n76 s SER 492 CO 0.10 -0.10 -0.00 0.00 0.98 0.00 0.00 173.24 174.22 1n76 s ALA 494 N 0.99 2.59 0.14 0.00 0.00 -0.38 -1.77 121.76 123.32 1n76 s ALA 494 Ca 0.04 -3.09 -0.35 0.00 0.00 0.00 0.00 51.96 48.57 1n76 s ALA 494 Cb -0.19 -1.89 -0.15 0.00 0.00 0.00 0.00 23.12 20.89 1n76 s ALA 494 CO -0.07 -2.04 1.50 -2.30 0.00 0.00 0.00 175.76 172.84 1n76 n PRO 495 N 2.57 1.82 0.00 0.00 -0.02 -1.26 -2.73 135.00 135.37 1n76 n PRO 495 Ca 0.22 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1n76 n PRO 495 Cb 0.40 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1n76 n PRO 495 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n76 n GLY 496 N 3.12 2.06 3.94 -1.23 0.00 -0.72 -2.19 105.19 110.17 1n76 n GLY 496 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1n76 n GLY 496 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n76 s SER 497 N -1.99 4.32 -0.01 1.61 0.01 -1.11 -4.96 113.70 111.57 1n76 s SER 497 Ca 0.00 0.22 -0.30 0.00 1.31 0.00 0.00 55.95 57.18 1n76 s SER 497 Cb 0.00 -0.67 -0.06 0.00 0.21 0.00 0.00 66.02 65.50 1n76 s SER 497 CO 0.00 -1.92 1.46 -0.62 0.41 0.00 0.00 173.24 172.57 1n76 s ASP 498 N -4.65 6.80 0.53 2.44 2.15 -1.26 -4.91 116.67 117.76 1n76 s ASP 498 Ca 0.65 2.14 0.19 0.00 0.43 0.00 0.00 52.55 55.96 1n76 s ASP 498 Cb -0.08 -2.56 1.38 0.00 -0.30 0.00 0.00 42.92 41.37 1n76 s ASP 498 CO 0.46 -0.77 2.16 -0.65 -0.17 0.00 0.00 175.17 176.20 1n76 h PRO 499 N 8.17 0.00 -0.70 4.34 0.11 -1.92 0.11 132.00 142.10 1n76 h PRO 499 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1n76 h PRO 499 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1n76 h PRO 499 CO 0.92 0.01 0.00 2.89 -0.21 0.00 0.00 178.00 181.61 1n76 n ARG 500 N -4.36 2.28 -3.16 1.05 1.85 -1.26 -4.74 116.66 108.32 1n76 n ARG 500 Ca -0.03 -1.15 -0.21 0.00 -1.00 0.00 0.00 57.85 55.46 1n76 n ARG 500 Cb 0.10 -1.65 0.01 0.00 -1.05 0.00 0.00 32.46 29.87 1n76 n ARG 500 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1n76 s SER 501 N -0.47 5.85 0.43 2.89 0.15 0.02 -4.99 113.70 117.59 1n76 s SER 501 Ca 0.20 0.08 0.29 0.00 0.70 0.00 0.00 55.95 57.22 1n76 s SER 501 Cb 0.14 -1.37 1.12 0.00 -1.71 0.00 0.00 66.02 64.19 1n76 s SER 501 CO 0.08 -0.62 1.85 0.78 1.20 0.00 0.00 173.24 176.53 1n76 h ASN 502 N 0.57 0.00 0.67 5.45 -0.26 -1.89 -2.82 115.58 117.31 1n76 h ASN 502 Ca -0.46 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.28 1n76 h ASN 502 Cb 1.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.52 1n76 h ASN 502 CO 0.55 0.00 0.00 0.18 -1.06 0.00 0.00 177.43 177.10 1n76 n LEU 503 N -2.78 0.00 0.00 1.61 4.77 -1.26 -2.73 117.00 116.61 1n76 n LEU 503 Ca 0.02 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1n76 n LEU 503 Cb 0.31 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1n76 n LEU 503 CO 0.26 -0.08 0.38 0.00 -1.33 0.00 0.00 177.39 176.62 1n76 h ALA 505 N 0.00 1.45 -0.01 0.00 0.00 -1.29 -2.42 119.26 116.98 1n76 h ALA 505 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n76 h ALA 505 Cb 0.28 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1n76 h ALA 505 CO 0.00 0.39 -0.00 1.28 0.00 0.00 0.00 179.25 180.92 1n76 n LEU 506 N -4.51 1.36 -4.81 0.00 4.77 -1.10 -4.91 117.00 107.80 1n76 n LEU 506 Ca 0.16 -0.45 -0.33 0.00 -0.03 0.00 0.00 56.01 55.36 1n76 n LEU 506 Cb 0.21 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1n76 n LEU 506 CO 0.32 0.23 0.71 0.00 -1.33 0.00 0.00 177.39 177.32 1n76 n ILE 508 N -2.00 0.00 -4.23 0.00 -5.35 -1.26 -4.89 119.36 101.63 1n76 n ILE 508 Ca 0.08 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 1n76 n ILE 508 Cb 0.53 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.57 1n76 n ILE 508 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1n76 n GLY 509 N 0.38 -1.68 2.18 3.28 0.00 -1.26 -4.62 105.19 103.46 1n76 n GLY 509 Ca 0.00 -1.31 -0.17 0.00 0.00 0.00 0.00 46.02 44.55 1n76 n GLY 509 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n76 n ASP 510 N -0.05 0.06 0.24 1.61 5.75 -0.47 -2.72 116.55 120.98 1n76 n ASP 510 Ca 0.00 -1.27 0.14 0.00 -0.01 0.00 0.00 54.79 53.65 1n76 n ASP 510 Cb 0.00 -0.57 0.81 0.00 -1.03 0.00 0.00 41.12 40.33 1n76 n ASP 510 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1n76 h GLU 511 N 0.00 0.00 0.00 0.11 4.57 -1.88 -1.70 114.58 115.68 1n76 h GLU 511 Ca -0.24 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.74 1n76 h GLU 511 Cb 0.67 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.23 1n76 h GLU 511 CO 0.17 0.00 -1.07 1.96 -1.18 0.00 0.00 179.01 178.89 1n76 h GLN 512 N 0.00 0.00 0.00 1.92 1.08 -1.94 -3.48 115.11 112.69 1n76 h GLN 512 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1n76 h GLN 512 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1n76 h GLN 512 CO -0.00 0.73 0.00 0.41 -0.95 0.00 0.00 178.83 179.02 1n76 n GLY 513 N 1.37 0.87 3.96 3.46 0.00 -0.64 -5.11 105.19 109.09 1n76 n GLY 513 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 1n76 n GLY 513 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n76 s GLU 514 N -0.31 2.63 -0.79 1.61 2.02 -1.26 -4.71 118.70 117.89 1n76 s GLU 514 Ca 0.00 -1.44 -0.04 0.00 0.02 0.00 0.00 54.97 53.51 1n76 s GLU 514 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.67 1n76 s GLU 514 CO 0.00 -0.32 0.68 0.09 0.02 0.00 0.00 175.26 175.73 1n76 n ASN 515 N -1.77 -4.06 -4.70 -0.19 3.02 -1.26 -1.36 115.26 104.93 1n76 n ASN 515 Ca 0.07 -0.33 -0.42 0.00 -0.03 0.00 0.00 54.58 53.86 1n76 n ASN 515 Cb 0.61 -3.21 -0.03 0.00 -0.61 0.00 0.00 39.78 36.54 1n76 n ASN 515 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1n76 s LYS 516 N -5.57 4.34 -0.48 3.52 1.02 -1.26 -3.70 119.74 117.60 1n76 s LYS 516 Ca 0.28 1.89 0.00 0.00 0.02 0.00 0.00 55.97 58.16 1n76 s LYS 516 Cb -0.12 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 1n76 s LYS 516 CO 0.43 -0.44 0.00 0.00 -0.92 0.00 0.00 175.35 174.42 1n76 s VAL 518 N -2.00 3.99 -0.25 0.00 0.11 -1.24 -1.76 120.40 119.25 1n76 s VAL 518 Ca 0.00 1.81 -0.03 0.00 -2.93 0.00 0.00 61.98 60.82 1n76 s VAL 518 Cb 0.00 -4.07 -0.00 0.00 -1.53 0.00 0.00 36.38 30.77 1n76 s VAL 518 CO 0.00 0.28 2.75 -0.81 -3.33 0.00 0.00 175.10 173.99 1n76 n PRO 519 N 0.91 2.00 -4.59 1.54 -0.04 -1.26 -4.60 135.00 128.95 1n76 n PRO 519 Ca 0.00 -1.53 -0.28 0.00 -0.04 0.00 0.00 63.50 61.65 1n76 n PRO 519 Cb 0.48 -1.85 -0.08 0.00 -0.04 0.00 0.00 33.50 32.01 1n76 n PRO 519 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1n76 s ASN 520 N 0.95 3.21 0.00 3.54 2.20 -1.26 -4.56 114.94 119.02 1n76 s ASN 520 Ca 0.48 -1.65 0.09 0.00 -0.94 0.00 0.00 52.86 50.84 1n76 s ASN 520 Cb 0.29 0.46 0.41 0.00 -2.00 0.00 0.00 41.25 40.42 1n76 s ASN 520 CO -0.09 -0.88 1.27 -1.54 -2.94 0.00 0.00 177.10 172.92 1n76 n SER 521 N -1.26 0.00 -0.08 3.54 3.41 -1.26 -3.06 113.62 114.91 1n76 n SER 521 Ca -0.10 0.42 -0.00 0.00 -0.26 0.00 0.00 58.87 58.93 1n76 n SER 521 Cb 0.66 -0.45 0.28 0.00 -0.26 0.00 0.00 64.21 64.44 1n76 n SER 521 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1n76 h ASN 522 N 0.00 0.64 -2.60 4.04 2.35 -1.93 -3.41 115.58 114.67 1n76 h ASN 522 Ca 0.00 -0.08 -0.53 0.00 -0.55 0.00 0.00 56.30 55.14 1n76 h ASN 522 Cb 0.14 -0.16 0.04 0.00 0.05 0.00 0.00 38.32 38.38 1n76 h ASN 522 CO 0.00 0.59 1.06 -0.70 -1.65 0.00 0.00 177.43 176.74 1n76 s GLU 523 N -5.29 4.15 0.32 0.81 2.56 -1.17 -3.48 118.70 116.59 1n76 s GLU 523 Ca -0.09 2.53 0.03 0.00 0.00 0.00 0.00 54.97 57.44 1n76 s GLU 523 Cb 0.16 -3.52 0.53 0.00 2.00 0.00 0.00 34.13 33.31 1n76 s GLU 523 CO 0.77 -0.80 1.84 0.00 -0.56 0.00 0.00 175.26 176.51 1n76 h ARG 524 N 8.25 0.57 -1.00 4.30 3.08 -1.76 -2.52 114.38 125.30 1n76 h ARG 524 Ca -0.45 -0.14 -0.51 0.00 0.07 0.00 0.00 59.98 58.96 1n76 h ARG 524 Cb 1.21 -0.08 -0.29 0.00 0.08 0.00 0.00 29.97 30.89 1n76 h ARG 524 CO 0.94 0.61 0.65 0.66 -1.07 0.00 0.00 179.97 181.76 1n76 n TYR 525 N -4.25 2.95 -3.74 3.04 4.01 -1.26 -4.29 117.16 113.62 1n76 n TYR 525 Ca 0.02 -1.90 -0.33 0.00 -0.16 0.00 0.00 57.90 55.52 1n76 n TYR 525 Cb 0.27 -0.96 -0.05 0.00 -0.31 0.00 0.00 39.34 38.29 1n76 n TYR 525 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1n76 s TYR 526 N -3.19 3.55 0.00 -0.72 5.04 -0.95 -3.78 117.35 117.29 1n76 s TYR 526 Ca 0.55 0.56 0.00 0.00 -2.44 0.00 0.00 57.07 55.74 1n76 s TYR 526 Cb 0.46 -1.99 0.00 0.00 0.35 0.00 0.00 41.96 40.78 1n76 s TYR 526 CO 0.09 0.56 0.00 0.41 -1.34 0.00 0.00 175.55 175.27 1n76 n GLY 527 N 0.78 -2.00 0.17 8.97 0.00 -0.93 -2.26 105.19 109.92 1n76 n GLY 527 Ca -0.08 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 1n76 n GLY 527 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1n76 h TYR 528 N 0.00 -0.30 -0.74 1.61 0.05 -1.95 -1.51 116.97 114.13 1n76 h TYR 528 Ca 0.00 -0.01 0.10 0.00 0.05 0.00 0.00 58.73 58.88 1n76 h TYR 528 Cb 0.00 0.10 -0.05 0.00 1.01 0.00 0.00 36.73 37.79 1n76 h TYR 528 CO 0.00 0.07 0.49 1.15 -1.05 0.00 0.00 178.16 178.82 1n76 h THR 529 N -0.80 0.91 -0.06 -2.88 2.02 -1.89 -1.57 112.91 108.64 1n76 h THR 529 Ca -0.03 -0.21 -0.22 0.00 0.77 0.00 0.00 66.41 66.72 1n76 h THR 529 Cb 0.51 0.25 0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1n76 h THR 529 CO 0.05 0.11 -0.86 1.23 0.37 0.00 0.00 175.52 176.43 1n76 h GLY 530 N 0.61 0.62 1.41 2.16 0.00 -1.37 -1.74 103.07 104.76 1n76 h GLY 530 Ca 0.35 -0.97 -0.14 0.00 0.00 0.00 0.00 47.33 46.56 1n76 h GLY 530 CO -0.12 0.86 -0.43 0.00 0.00 0.00 0.00 176.54 176.85 1n76 h ALA 531 N 0.69 0.76 0.00 3.60 0.00 -0.67 -1.31 119.26 122.33 1n76 h ALA 531 Ca -0.07 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 1n76 h ALA 531 Cb 1.48 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1n76 h ALA 531 CO 0.16 0.66 -0.54 0.35 0.00 0.00 0.00 179.25 179.88 1n76 h PHE 532 N 0.52 0.00 -0.42 0.00 3.57 -1.22 -2.41 116.94 116.97 1n76 h PHE 532 Ca 0.04 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.40 1n76 h PHE 532 Cb 0.96 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1n76 h PHE 532 CO 0.04 0.54 -0.27 -0.09 -2.23 0.00 0.00 178.31 176.30 1n76 h ARG 533 N 0.00 0.90 -0.31 1.11 2.43 -0.65 -1.89 114.38 115.97 1n76 h ARG 533 Ca -0.01 -0.41 0.05 0.00 -0.81 0.00 0.00 59.98 58.81 1n76 h ARG 533 Cb 1.03 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 1n76 h ARG 533 CO 0.07 1.06 0.22 0.00 -1.51 0.00 0.00 179.97 179.81 1n76 h LEU 535 N 0.19 0.14 -1.46 0.00 5.85 -1.19 -2.73 115.31 116.11 1n76 h LEU 535 Ca 0.14 -0.79 -0.03 0.00 0.84 0.00 0.00 57.88 58.04 1n76 h LEU 535 Cb 0.31 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1n76 h LEU 535 CO -0.02 0.91 -0.13 0.00 -0.34 0.00 0.00 178.44 178.86 1n76 h ALA 536 N 0.23 1.07 -0.59 1.25 0.00 -0.58 0.13 119.26 120.77 1n76 h ALA 536 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1n76 h ALA 536 Cb 0.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1n76 h ALA 536 CO 0.03 0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.83 1n76 n GLU 537 N -3.34 3.57 -3.71 0.00 1.02 -0.79 -4.92 120.64 112.46 1n76 n GLU 537 Ca -0.00 -2.62 -0.25 0.00 -0.02 0.00 0.00 57.16 54.27 1n76 n GLU 537 Cb 0.34 -1.87 0.05 0.00 -0.02 0.00 0.00 31.44 29.94 1n76 n GLU 537 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1n76 n ASN 538 N 0.99 -4.39 -0.10 1.62 3.02 0.46 -4.88 115.26 111.98 1n76 n ASN 538 Ca 0.24 -0.69 -0.24 0.00 -0.03 0.00 0.00 54.58 53.86 1n76 n ASN 538 Cb 0.84 -4.45 -0.12 0.00 -0.61 0.00 0.00 39.78 35.44 1n76 n ASN 538 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n76 n ALA 539 N -4.66 1.03 -3.46 5.41 0.00 -1.05 -5.01 120.51 112.76 1n76 n ALA 539 Ca -0.07 -0.79 -0.01 0.00 0.00 0.00 0.00 53.44 52.57 1n76 n ALA 539 Cb 0.58 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.74 1n76 n ALA 539 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n76 n GLY 540 N 1.59 2.95 0.21 0.00 0.00 -1.08 -4.92 105.19 103.93 1n76 n GLY 540 Ca -0.42 -2.17 -0.03 0.00 0.00 0.00 0.00 46.02 43.41 1n76 n GLY 540 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n76 n ASP 541 N -2.09 2.95 -4.43 1.61 8.00 -0.71 -4.83 116.55 117.04 1n76 n ASP 541 Ca -0.00 -0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.25 1n76 n ASP 541 Cb 0.02 -0.07 -0.11 0.00 -0.02 0.00 0.00 41.12 40.94 1n76 n ASP 541 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1n76 s VAL 542 N -2.07 2.31 -0.17 2.53 0.11 -1.16 -4.42 120.40 117.53 1n76 s VAL 542 Ca -0.05 -2.22 -0.05 0.00 -2.93 0.00 0.00 61.98 56.73 1n76 s VAL 542 Cb 0.01 -2.18 0.08 0.00 -1.53 0.00 0.00 36.38 32.77 1n76 s VAL 542 CO 0.08 -0.32 0.31 0.00 -3.33 0.00 0.00 175.10 171.84 1n76 s ALA 543 N -2.24 -0.75 -0.97 1.54 0.00 -0.32 -0.91 121.76 118.12 1n76 s ALA 543 Ca 0.25 1.03 -0.19 0.00 0.00 0.00 0.00 51.96 53.04 1n76 s ALA 543 Cb -0.06 -1.19 0.12 0.00 0.00 0.00 0.00 23.12 21.99 1n76 s ALA 543 CO 0.12 -0.78 1.21 -0.06 0.00 0.00 0.00 175.76 176.24 1n76 s PHE 544 N 2.48 3.04 0.00 0.00 0.08 -1.03 -1.76 117.98 120.80 1n76 s PHE 544 Ca 0.02 -1.36 0.00 0.00 0.12 0.00 0.00 56.93 55.71 1n76 s PHE 544 Cb -0.13 -4.36 0.00 0.00 -0.57 0.00 0.00 43.02 37.96 1n76 s PHE 544 CO -0.11 -1.56 0.00 1.33 -0.10 0.00 0.00 175.22 174.78 1n76 n VAL 545 N 5.68 0.00 -4.40 -0.44 0.24 -1.13 -3.60 118.33 114.68 1n76 n VAL 545 Ca 0.27 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.32 1n76 n VAL 545 Cb 0.49 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.77 1n76 n VAL 545 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1n76 s LYS 546 N 2.52 1.97 0.12 7.34 -2.85 -1.26 -2.20 119.74 125.38 1n76 s LYS 546 Ca 0.00 -1.72 -0.22 0.00 -1.00 0.00 0.00 55.97 53.03 1n76 s LYS 546 Cb 0.00 -1.90 -0.06 0.00 -2.06 0.00 0.00 37.83 33.81 1n76 s LYS 546 CO 0.00 0.23 1.70 0.38 0.10 0.00 0.00 175.35 177.77 1n76 h ASP 547 N 1.98 -0.23 0.51 0.03 2.03 -1.90 -1.76 116.42 117.09 1n76 h ASP 547 Ca -0.42 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 1n76 h ASP 547 Cb 1.25 0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.87 1n76 h ASP 547 CO 0.64 -0.10 0.00 1.33 -1.03 0.00 0.00 179.24 180.08 1n76 n VAL 548 N -5.21 0.96 -0.05 4.15 0.24 -1.26 -2.06 118.33 115.10 1n76 n VAL 548 Ca -0.04 0.35 -0.04 0.00 -2.04 0.00 0.00 64.34 62.57 1n76 n VAL 548 Cb 0.13 -1.27 0.19 0.00 -1.47 0.00 0.00 33.84 31.42 1n76 n VAL 548 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1n76 h THR 549 N 0.00 1.24 -0.26 3.34 2.02 -1.74 -1.58 112.91 115.94 1n76 h THR 549 Ca 0.00 -1.07 -0.17 0.00 0.77 0.00 0.00 66.41 65.94 1n76 h THR 549 Cb 0.26 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1n76 h THR 549 CO 0.00 0.36 -0.53 0.58 0.37 0.00 0.00 175.52 176.30 1n76 h VAL 550 N 0.61 1.29 -0.08 3.16 2.07 -1.52 -3.06 116.25 118.71 1n76 h VAL 550 Ca 0.11 -1.74 -0.02 0.00 0.82 0.00 0.00 66.70 65.88 1n76 h VAL 550 Cb 0.52 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1n76 h VAL 550 CO 0.03 0.56 -0.02 -0.07 0.02 0.00 0.00 177.57 178.09 1n76 h LEU 551 N 0.59 0.16 0.00 2.57 4.07 -1.52 -2.91 115.31 118.27 1n76 h LEU 551 Ca 0.02 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.61 1n76 h LEU 551 Cb 1.12 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1n76 h LEU 551 CO 0.11 0.49 0.00 0.00 -1.08 0.00 0.00 178.44 177.96 1n76 n GLN 552 N -4.79 0.07 -0.01 1.13 6.02 -0.62 -1.89 117.38 117.29 1n76 n GLN 552 Ca -0.07 0.27 0.01 0.00 -0.01 0.00 0.00 57.00 57.20 1n76 n GLN 552 Cb 0.23 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.01 1n76 n GLN 552 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1n76 n ASN 553 N -1.37 1.91 -4.28 1.08 3.02 -1.11 -4.05 115.26 110.46 1n76 n ASN 553 Ca 0.03 -2.09 -0.17 0.00 -0.03 0.00 0.00 54.58 52.32 1n76 n ASN 553 Cb 0.08 -0.06 -0.10 0.00 -0.61 0.00 0.00 39.78 39.09 1n76 n ASN 553 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1n76 s THR 554 N -1.19 0.57 -1.36 3.41 -4.23 -0.79 -4.63 115.64 107.42 1n76 s THR 554 Ca 0.04 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.48 1n76 s THR 554 Cb 0.04 -2.62 0.02 0.00 1.34 0.00 0.00 72.50 71.28 1n76 s THR 554 CO 0.00 0.00 1.09 0.47 -0.54 0.00 0.00 174.62 175.64 1n76 n ASP 555 N -0.57 -5.03 -0.26 3.99 8.00 -1.11 -2.53 116.55 119.04 1n76 n ASP 555 Ca -0.00 -0.62 -0.03 0.00 0.71 0.00 0.00 54.79 54.85 1n76 n ASP 555 Cb 0.66 -4.77 -0.01 0.00 -0.02 0.00 0.00 41.12 36.98 1n76 n ASP 555 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n76 n GLY 556 N -1.78 0.58 0.01 0.44 0.00 -1.26 -4.82 105.19 98.36 1n76 n GLY 556 Ca -0.05 -0.24 0.15 0.00 0.00 0.00 0.00 46.02 45.88 1n76 n GLY 556 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1n76 n ASN 557 N -0.06 0.03 -3.66 1.61 3.02 -1.05 -4.50 115.26 110.65 1n76 n ASN 557 Ca -0.03 -0.10 -0.27 0.00 -0.03 0.00 0.00 54.58 54.14 1n76 n ASN 557 Cb 0.24 -0.29 -0.17 0.00 -0.61 0.00 0.00 39.78 38.96 1n76 n ASN 557 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1n76 s ASN 558 N -2.61 2.71 0.00 6.41 3.84 -1.26 -4.82 114.94 119.22 1n76 s ASN 558 Ca 0.27 -0.77 0.13 0.00 0.21 0.00 0.00 52.86 52.70 1n76 s ASN 558 Cb 0.20 -0.42 0.48 0.00 -0.55 0.00 0.00 41.25 40.96 1n76 s ASN 558 CO 0.47 -0.34 1.36 -0.46 -2.79 0.00 0.00 177.10 175.34 1n76 n ASN 559 N 5.16 1.46 -4.60 -4.21 0.23 -1.26 -3.99 115.26 108.04 1n76 n ASN 559 Ca -0.08 -1.86 -0.29 0.00 -0.53 0.00 0.00 54.58 51.82 1n76 n ASN 559 Cb 0.48 -0.15 0.20 0.00 -2.08 0.00 0.00 39.78 38.23 1n76 n ASN 559 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 1n76 s ASP 560 N -1.22 2.08 0.18 0.53 1.11 -1.26 -4.79 116.67 113.29 1n76 s ASP 560 Ca 0.24 1.45 -0.16 0.00 0.18 0.00 0.00 52.55 54.27 1n76 s ASP 560 Cb 0.13 -2.15 0.14 0.00 1.07 0.00 0.00 42.92 42.10 1n76 s ASP 560 CO 0.18 -3.51 1.67 0.00 1.18 0.00 0.00 175.17 174.69 1n76 h ALA 561 N -2.15 0.34 0.05 5.23 0.00 -2.01 -2.41 119.26 118.31 1n76 h ALA 561 Ca -0.56 0.16 -0.27 0.00 0.00 0.00 0.00 54.91 54.25 1n76 h ALA 561 Cb 1.32 0.31 0.02 0.00 0.00 0.00 0.00 17.79 19.44 1n76 h ALA 561 CO 0.53 -0.43 -1.10 0.11 0.00 0.00 0.00 179.25 178.36 1n76 h TRP 562 N 0.03 0.89 -0.50 0.00 5.08 -1.95 -3.28 115.95 116.23 1n76 h TRP 562 Ca 0.22 -0.52 0.00 0.00 1.08 0.00 0.00 58.89 59.67 1n76 h TRP 562 Cb 0.34 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 26.41 1n76 h TRP 562 CO -0.36 1.36 0.00 0.00 -1.28 0.00 0.00 178.44 178.16 1n76 n ALA 563 N -2.62 3.25 -0.01 0.11 0.00 -1.05 -4.55 120.51 115.64 1n76 n ALA 563 Ca -0.11 -1.37 -0.17 0.00 0.00 0.00 0.00 53.44 51.79 1n76 n ALA 563 Cb 0.92 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.21 1n76 n ALA 563 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1n76 h LYS 564 N 3.26 0.42 -0.02 0.00 1.57 -1.50 -3.34 116.57 116.95 1n76 h LYS 564 Ca 0.00 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1n76 h LYS 564 Cb 1.41 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.83 1n76 h LYS 564 CO 0.28 1.06 -0.36 -0.25 -0.57 0.00 0.00 179.45 179.60 1n76 n ASP 565 N -4.26 2.12 -4.75 0.86 8.00 -1.26 -4.35 116.55 112.90 1n76 n ASP 565 Ca -0.09 -1.56 -0.34 0.00 0.71 0.00 0.00 54.79 53.51 1n76 n ASP 565 Cb 0.62 0.39 0.06 0.00 -0.02 0.00 0.00 41.12 42.17 1n76 n ASP 565 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1n76 s LEU 566 N -2.28 3.42 0.10 0.64 1.43 -1.25 -4.94 118.68 115.79 1n76 s LEU 566 Ca 0.19 2.17 0.03 0.00 -1.03 0.00 0.00 54.13 55.49 1n76 s LEU 566 Cb 0.17 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 1n76 s LEU 566 CO 0.49 -1.81 -0.08 -0.54 0.23 0.00 0.00 176.35 174.63 1n76 s LYS 567 N -3.90 0.85 0.45 1.70 1.02 -1.26 -2.74 119.74 115.85 1n76 s LYS 567 Ca 0.71 -1.24 0.21 0.00 0.02 0.00 0.00 55.97 55.67 1n76 s LYS 567 Cb -0.24 -0.39 1.05 0.00 -0.52 0.00 0.00 37.83 37.73 1n76 s LYS 567 CO 0.41 0.04 1.92 1.25 -0.92 0.00 0.00 175.35 178.04 1n76 h LEU 568 N 3.28 0.00 0.00 3.17 5.85 -1.91 -2.33 115.31 123.37 1n76 h LEU 568 Ca -0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1n76 h LEU 568 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1n76 h LEU 568 CO 0.58 0.24 0.00 0.00 -0.34 0.00 0.00 178.44 178.92 1n76 n ALA 569 N -2.33 2.31 1.39 1.25 0.00 -1.26 -2.80 120.51 119.06 1n76 n ALA 569 Ca -0.01 -0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.40 1n76 n ALA 569 Cb 0.35 -1.46 0.29 0.00 0.00 0.00 0.00 19.45 18.63 1n76 n ALA 569 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1n76 n ASP 570 N -1.49 1.17 -4.07 0.00 8.00 -0.88 -4.87 116.55 114.41 1n76 n ASP 570 Ca 0.07 -1.78 -0.18 0.00 0.71 0.00 0.00 54.79 53.62 1n76 n ASP 570 Cb 0.33 -0.11 -0.13 0.00 -0.02 0.00 0.00 41.12 41.18 1n76 n ASP 570 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1n76 s PHE 571 N -1.79 0.91 0.25 1.24 0.08 -1.12 -2.47 117.98 115.09 1n76 s PHE 571 Ca 0.24 -0.30 0.03 0.00 0.12 0.00 0.00 56.93 57.02 1n76 s PHE 571 Cb 0.13 -0.56 -0.05 0.00 -0.57 0.00 0.00 43.02 41.97 1n76 s PHE 571 CO 0.19 -0.01 0.04 0.00 -0.10 0.00 0.00 175.22 175.34 1n76 s ALA 572 N -0.71 1.86 0.02 5.36 0.00 -0.59 -4.11 121.76 123.58 1n76 s ALA 572 Ca -0.00 -1.84 0.05 0.00 0.00 0.00 0.00 51.96 50.16 1n76 s ALA 572 Cb -0.06 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 1n76 s ALA 572 CO 0.00 -0.33 -0.11 -0.51 0.00 0.00 0.00 175.76 174.81 1n76 s LEU 573 N -3.33 2.95 -0.14 0.00 1.43 -0.74 -1.70 118.68 117.14 1n76 s LEU 573 Ca 0.33 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 53.04 1n76 s LEU 573 Cb 0.07 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 1n76 s LEU 573 CO 0.11 0.27 0.30 -0.76 0.23 0.00 0.00 176.35 176.51 1n76 s LEU 574 N -1.40 4.27 0.23 1.79 1.02 -1.21 -2.73 118.68 120.64 1n76 s LEU 574 Ca 0.16 0.56 0.05 0.00 0.02 0.00 0.00 54.13 54.92 1n76 s LEU 574 Cb -0.11 -2.39 -0.03 0.00 0.02 0.00 0.00 46.19 43.68 1n76 s LEU 574 CO 0.07 0.13 0.27 0.00 0.02 0.00 0.00 176.35 176.84 1n76 h LEU 576 N 1.51 0.02 -0.93 0.00 3.38 -1.87 -2.92 115.31 114.50 1n76 h LEU 576 Ca -0.50 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1n76 h LEU 576 Cb 1.23 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1n76 h LEU 576 CO 0.62 0.58 0.00 -2.24 0.09 0.00 0.00 178.44 177.49 1n76 h ASP 577 N 0.01 0.00 0.00 -0.43 3.04 -1.98 -3.47 116.42 113.59 1n76 h ASP 577 Ca -0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 1n76 h ASP 577 Cb 1.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.29 1n76 h ASP 577 CO 0.07 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.88 1n76 n GLY 578 N 0.34 1.26 3.73 7.15 0.00 -1.10 -5.08 105.19 111.49 1n76 n GLY 578 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1n76 n GLY 578 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n76 s LYS 579 N 0.00 1.25 -0.02 1.61 3.01 -1.26 -4.66 119.74 119.67 1n76 s LYS 579 Ca 0.00 0.73 0.03 0.00 -1.01 0.00 0.00 55.97 55.72 1n76 s LYS 579 Cb 0.00 -1.82 -0.00 0.00 -1.01 0.00 0.00 37.83 35.00 1n76 s LYS 579 CO 0.00 -2.22 -0.09 1.03 0.51 0.00 0.00 175.35 174.58 1n76 s ARG 580 N -4.98 0.90 0.45 1.68 0.52 -1.26 -2.35 118.95 113.90 1n76 s ARG 580 Ca 0.63 -0.33 0.03 0.00 -0.52 0.00 0.00 55.73 55.54 1n76 s ARG 580 Cb -0.17 -0.85 -0.02 0.00 0.52 0.00 0.00 34.95 34.42 1n76 s ARG 580 CO 0.56 0.16 0.06 0.15 0.02 0.00 0.00 175.30 176.25 1n76 s LYS 581 N 0.02 2.04 0.80 3.54 1.02 -1.11 -4.97 119.74 121.07 1n76 s LYS 581 Ca -0.00 -2.26 -0.12 0.00 0.02 0.00 0.00 55.97 53.61 1n76 s LYS 581 Cb -0.07 -1.08 0.07 0.00 -0.52 0.00 0.00 37.83 36.24 1n76 s LYS 581 CO 0.00 -0.39 1.12 -2.14 -0.92 0.00 0.00 175.35 173.02 1n76 s PRO 582 N -3.79 2.09 0.56 -1.68 0.02 -1.26 -1.80 135.00 129.13 1n76 s PRO 582 Ca 0.17 0.46 0.24 0.00 0.02 0.00 0.00 61.00 61.89 1n76 s PRO 582 Cb 0.03 -1.93 1.53 0.00 0.02 0.00 0.00 34.50 34.15 1n76 s PRO 582 CO 0.10 -1.58 2.16 0.28 -0.33 0.00 0.00 177.00 177.62 1n76 h VAL 583 N -1.05 0.72 0.00 3.83 2.07 -1.87 -0.69 116.25 119.26 1n76 h VAL 583 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1n76 h VAL 583 Cb 1.28 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1n76 h VAL 583 CO 0.62 0.00 -0.07 0.35 0.02 0.00 0.00 177.57 178.49 1n76 n THR 584 N -4.16 0.09 -1.23 2.57 -2.24 -1.26 -2.96 114.28 105.09 1n76 n THR 584 Ca -0.01 -0.05 -0.26 0.00 -2.27 0.00 0.00 64.05 61.46 1n76 n THR 584 Cb 0.19 -0.42 0.15 0.00 -2.10 0.00 0.00 70.33 68.16 1n76 n THR 584 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n76 n GLU 585 N -1.62 2.34 0.27 -0.78 1.02 -0.26 -4.55 120.64 117.05 1n76 n GLU 585 Ca 0.07 -3.04 0.16 0.00 -0.02 0.00 0.00 57.16 54.33 1n76 n GLU 585 Cb 0.35 -2.19 0.71 0.00 -0.02 0.00 0.00 31.44 30.29 1n76 n GLU 585 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n76 h ALA 586 N 1.24 1.03 0.00 0.62 0.00 -1.68 -2.30 119.26 118.18 1n76 h ALA 586 Ca 0.63 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.47 1n76 h ALA 586 Cb 2.38 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 20.16 1n76 h ALA 586 CO 1.21 0.07 -0.09 0.00 0.00 0.00 0.00 179.25 180.44 1n76 h ARG 587 N 0.00 0.00 -0.01 0.00 2.47 -1.90 -2.09 114.38 112.86 1n76 h ARG 587 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1n76 h ARG 587 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 1n76 h ARG 587 CO 0.01 0.09 0.00 -1.13 0.56 0.00 0.00 179.97 179.50 1n76 n SER 588 N -3.28 1.27 -3.38 7.04 3.41 -0.96 -4.76 113.62 112.96 1n76 n SER 588 Ca -0.00 -1.14 -0.27 0.00 -0.26 0.00 0.00 58.87 57.20 1n76 n SER 588 Cb 0.31 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.16 1n76 n SER 588 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n76 s HIS 590 N 0.11 -0.06 -0.05 0.00 -0.00 -1.20 -4.56 115.29 109.52 1n76 s HIS 590 Ca 0.32 -0.01 -0.25 0.00 -0.00 0.00 0.00 55.06 55.13 1n76 s HIS 590 Cb 0.03 0.04 -0.23 0.00 -0.00 0.00 0.00 32.58 32.42 1n76 s HIS 590 CO -0.19 -0.40 1.06 -0.07 -0.00 0.00 0.00 174.74 175.13 1n76 h LEU 591 N 3.70 0.18 -7.39 5.38 3.38 -1.66 -3.45 115.31 115.45 1n76 h LEU 591 Ca -0.31 -0.74 0.08 0.00 0.09 0.00 0.00 57.88 57.00 1n76 h LEU 591 Cb 1.19 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.78 1n76 h LEU 591 CO 0.43 0.90 0.35 0.00 0.09 0.00 0.00 178.44 180.21 1n76 s ALA 592 N -3.26 -1.58 -0.17 1.53 0.00 -1.23 -5.05 121.76 112.00 1n76 s ALA 592 Ca -0.16 0.35 -0.29 0.00 0.00 0.00 0.00 51.96 51.86 1n76 s ALA 592 Cb 0.01 0.70 -0.00 0.00 0.00 0.00 0.00 23.12 23.83 1n76 s ALA 592 CO 0.73 -0.88 1.03 -1.64 0.00 0.00 0.00 175.76 175.01 1n76 s MET 593 N -3.52 4.33 -0.16 0.00 -1.94 -1.26 -1.61 119.30 115.14 1n76 s MET 593 Ca 0.07 1.39 -0.07 0.00 -1.71 0.00 0.00 55.69 55.37 1n76 s MET 593 Cb -0.02 -3.60 -0.04 0.00 2.01 0.00 0.00 34.83 33.18 1n76 s MET 593 CO -0.04 -0.49 0.07 0.00 -0.01 0.00 0.00 175.02 174.55 1n76 s ALA 594 N 2.66 3.49 0.68 3.03 0.00 0.43 -4.94 121.76 127.11 1n76 s ALA 594 Ca 0.46 -0.73 -0.12 0.00 0.00 0.00 0.00 51.96 51.57 1n76 s ALA 594 Cb -0.17 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.08 1n76 s ALA 594 CO 0.12 0.31 1.07 -1.25 0.00 0.00 0.00 175.76 176.01 1n76 s PRO 595 N -0.05 2.87 0.79 0.00 0.04 -1.26 -1.34 135.00 136.05 1n76 s PRO 595 Ca 0.07 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.09 1n76 s PRO 595 Cb -0.12 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.51 1n76 s PRO 595 CO 0.01 -1.16 1.09 -0.80 0.04 0.00 0.00 177.00 176.18 1n76 s ASN 596 N -3.37 4.50 0.58 6.66 -0.87 -1.26 -4.52 114.94 116.65 1n76 s ASN 596 Ca 0.61 1.47 -0.15 0.00 -1.57 0.00 0.00 52.86 53.22 1n76 s ASN 596 Cb -0.16 -2.22 -0.05 0.00 -0.02 0.00 0.00 41.25 38.81 1n76 s ASN 596 CO 0.50 -1.99 1.02 -1.00 -2.57 0.00 0.00 177.10 173.06 1n76 s HIS 597 N -3.06 3.30 -0.06 2.20 3.76 -1.26 -4.46 115.29 115.71 1n76 s HIS 597 Ca 0.61 1.45 -0.04 0.00 -0.15 0.00 0.00 55.06 56.92 1n76 s HIS 597 Cb -0.15 -2.86 0.02 0.00 1.11 0.00 0.00 32.58 30.70 1n76 s HIS 597 CO 0.55 -0.75 0.15 0.00 -0.85 0.00 0.00 174.74 173.84 1n76 s ALA 598 N -2.71 -0.34 -0.24 -1.40 0.00 -0.42 -0.93 121.76 115.73 1n76 s ALA 598 Ca 0.60 0.49 -0.24 0.00 0.00 0.00 0.00 51.96 52.80 1n76 s ALA 598 Cb -0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1n76 s ALA 598 CO 0.39 -0.09 0.79 0.08 0.00 0.00 0.00 175.76 176.93 1n76 s VAL 599 N 0.37 4.87 0.22 0.00 1.01 0.20 -1.94 120.40 125.13 1n76 s VAL 599 Ca -0.02 1.49 0.07 0.00 0.00 0.00 0.00 61.98 63.52 1n76 s VAL 599 Cb -0.04 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1n76 s VAL 599 CO -0.02 -0.04 0.11 0.68 0.00 0.00 0.00 175.10 175.83 1n76 s VAL 600 N 2.71 4.18 0.00 2.92 -7.23 -0.80 -0.99 120.40 121.18 1n76 s VAL 600 Ca 0.33 -1.40 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1n76 s VAL 600 Cb -0.15 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.59 1n76 s VAL 600 CO 0.08 -0.25 0.00 -0.24 -0.31 0.00 0.00 175.10 174.38 1n76 n SER 601 N -0.73 0.00 -4.79 4.85 2.88 -1.03 -3.05 113.62 111.75 1n76 n SER 601 Ca -0.08 -0.58 -0.24 0.00 -1.33 0.00 0.00 58.87 56.64 1n76 n SER 601 Cb 0.57 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.11 1n76 n SER 601 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1n76 s ARG 602 N -0.74 1.98 0.41 -1.46 0.52 -1.26 -1.81 118.95 116.58 1n76 s ARG 602 Ca 0.00 -0.67 0.22 0.00 -0.52 0.00 0.00 55.73 54.76 1n76 s ARG 602 Cb 0.00 -2.27 0.53 0.00 0.52 0.00 0.00 34.95 33.73 1n76 s ARG 602 CO 0.00 -1.28 1.66 1.98 0.02 0.00 0.00 175.30 177.68 1n76 h MET 603 N -0.50 0.00 -0.00 3.54 4.05 -1.95 -3.05 114.93 117.02 1n76 h MET 603 Ca -0.41 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 1n76 h MET 603 Cb 1.29 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.09 1n76 h MET 603 CO 0.50 0.21 -0.22 -0.40 0.23 0.00 0.00 176.91 177.23 1n76 n ASP 604 N -3.21 0.61 -1.29 1.39 5.68 -1.26 -3.88 116.55 114.58 1n76 n ASP 604 Ca 0.02 -0.52 -0.08 0.00 -0.50 0.00 0.00 54.79 53.71 1n76 n ASP 604 Cb 0.54 0.01 0.12 0.00 -1.14 0.00 0.00 41.12 40.65 1n76 n ASP 604 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1n76 n LYS 605 N -1.01 2.54 -0.04 0.11 3.00 -1.15 -4.78 118.16 116.83 1n76 n LYS 605 Ca 0.11 -3.71 -0.22 0.00 -0.00 0.00 0.00 58.31 54.50 1n76 n LYS 605 Cb 0.32 -1.92 -0.13 0.00 0.00 0.00 0.00 35.03 33.30 1n76 n LYS 605 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1n76 n VAL 606 N -0.91 1.68 -0.04 3.15 0.31 -1.25 -3.24 118.33 118.03 1n76 n VAL 606 Ca 0.31 -0.46 -0.15 0.00 -0.01 0.00 0.00 64.34 64.02 1n76 n VAL 606 Cb 0.83 -1.80 -0.08 0.00 -0.91 0.00 0.00 33.84 31.88 1n76 n VAL 606 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1n76 h GLU 607 N -0.28 0.51 -0.60 5.55 4.39 -1.87 -2.45 114.58 119.82 1n76 h GLU 607 Ca -0.43 -0.38 -0.09 0.00 0.34 0.00 0.00 59.36 58.81 1n76 h GLU 607 Cb 1.80 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 30.49 1n76 h GLU 607 CO -0.03 1.00 0.04 -0.09 -1.16 0.00 0.00 179.01 178.76 1n76 h ARG 608 N 0.13 1.03 0.00 2.33 9.65 -1.91 -2.73 114.38 122.87 1n76 h ARG 608 Ca -0.01 -0.30 -0.03 0.00 -1.10 0.00 0.00 59.98 58.54 1n76 h ARG 608 Cb 1.04 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.50 1n76 h ARG 608 CO 0.09 0.98 -0.15 1.25 2.80 0.00 0.00 179.97 184.94 1n76 h LEU 609 N 0.95 0.00 0.10 3.80 5.85 -1.51 -1.98 115.31 122.52 1n76 h LEU 609 Ca 0.18 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.65 1n76 h LEU 609 Cb 0.50 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.55 1n76 h LEU 609 CO 0.02 0.15 -1.04 0.50 -0.34 0.00 0.00 178.44 177.73 1n76 h LYS 610 N 0.00 0.53 0.00 1.25 3.64 -1.25 -1.86 116.57 118.88 1n76 h LYS 610 Ca -0.00 -0.71 0.00 0.00 -1.27 0.00 0.00 60.65 58.67 1n76 h LYS 610 Cb 0.29 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1n76 h LYS 610 CO 0.02 1.30 0.00 -0.56 -2.27 0.00 0.00 179.45 177.94 1n76 h GLN 611 N 0.09 0.00 0.03 1.90 3.07 -1.27 -2.61 115.11 116.32 1n76 h GLN 611 Ca -0.16 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.43 1n76 h GLN 611 Cb 1.75 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.30 1n76 h GLN 611 CO 0.20 0.00 -0.82 0.28 0.09 0.00 0.00 178.83 178.58 1n76 h VAL 612 N 0.00 1.28 -0.65 1.86 2.07 -1.36 -2.98 116.25 116.47 1n76 h VAL 612 Ca 0.00 -2.29 -0.03 0.00 0.82 0.00 0.00 66.70 65.19 1n76 h VAL 612 Cb 0.84 2.77 -0.03 0.00 -1.52 0.00 0.00 31.29 33.36 1n76 h VAL 612 CO 0.00 0.51 0.28 -0.07 0.02 0.00 0.00 177.57 178.31 1n76 h LEU 613 N -0.85 0.85 -0.87 2.57 3.38 -1.40 0.16 115.31 119.16 1n76 h LEU 613 Ca -0.21 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 1n76 h LEU 613 Cb 1.29 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1n76 h LEU 613 CO -0.07 0.75 -0.10 -0.07 0.09 0.00 0.00 178.44 179.04 1n76 h LEU 614 N 0.93 0.71 -0.30 1.67 3.38 -1.59 -1.69 115.31 118.42 1n76 h LEU 614 Ca 0.22 -0.20 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 1n76 h LEU 614 Cb 0.15 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1n76 h LEU 614 CO -0.02 0.84 -0.57 -0.74 0.09 0.00 0.00 178.44 178.04 1n76 h HIS 615 N 0.66 1.07 0.00 1.13 2.76 -1.12 -3.12 115.15 116.53 1n76 h HIS 615 Ca 0.12 -0.39 -0.01 0.00 -2.20 0.00 0.00 60.37 57.89 1n76 h HIS 615 Cb 0.56 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.32 1n76 h HIS 615 CO 0.03 1.22 -0.03 1.96 -1.30 0.00 0.00 177.93 179.80 1n76 h GLN 616 N 0.64 0.00 0.00 5.26 1.08 -0.33 -2.36 115.11 119.40 1n76 h GLN 616 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1n76 h GLN 616 Cb 1.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1n76 h GLN 616 CO 0.13 0.03 -0.55 0.00 -0.95 0.00 0.00 178.83 177.49 1n76 n GLN 617 N -3.11 0.28 0.20 1.46 10.64 -0.67 -1.09 117.38 125.09 1n76 n GLN 617 Ca 0.03 0.10 0.13 0.00 -1.83 0.00 0.00 57.00 55.42 1n76 n GLN 617 Cb 0.47 -1.69 0.29 0.00 -0.86 0.00 0.00 30.24 28.45 1n76 n GLN 617 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1n76 h ALA 618 N 2.53 1.00 0.00 2.61 0.00 -1.36 0.73 119.26 124.78 1n76 h ALA 618 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1n76 h ALA 618 Cb 0.73 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1n76 h ALA 618 CO 0.00 0.00 -1.83 1.17 0.00 0.00 0.00 179.25 178.59 1n76 n LYS 619 N -2.92 0.55 -0.54 0.00 4.81 -1.14 -2.85 118.16 116.07 1n76 n LYS 619 Ca 0.04 0.23 0.06 0.00 -0.87 0.00 0.00 58.31 57.77 1n76 n LYS 619 Cb 0.47 -1.44 0.26 0.00 0.02 0.00 0.00 35.03 34.34 1n76 n LYS 619 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1n76 n PHE 620 N -4.32 1.09 0.00 5.64 3.72 -0.25 0.21 117.46 123.55 1n76 n PHE 620 Ca -0.36 -1.01 0.00 0.00 -0.05 0.00 0.00 57.45 56.03 1n76 n PHE 620 Cb 0.71 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 1n76 n PHE 620 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1n76 n GLY 621 N -0.57 -1.81 0.09 1.37 0.00 0.25 0.02 105.19 104.53 1n76 n GLY 621 Ca 0.25 -1.23 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 1n76 n GLY 621 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1n76 h ARG 622 N 0.00 0.12 -0.83 1.61 1.12 -1.77 -3.28 114.38 111.35 1n76 h ARG 622 Ca 0.00 -0.20 -0.52 0.00 -1.11 0.00 0.00 59.98 58.15 1n76 h ARG 622 Cb 0.00 0.07 -0.28 0.00 -0.01 0.00 0.00 29.97 29.75 1n76 h ARG 622 CO 0.00 1.09 0.37 0.27 -3.11 0.00 0.00 179.97 178.59 1n76 n ASN 623 N -4.38 5.25 -4.77 -3.80 0.23 -1.26 -5.03 115.26 101.50 1n76 n ASN 623 Ca -0.15 -3.74 -0.39 0.00 -0.53 0.00 0.00 54.58 49.77 1n76 n ASN 623 Cb 0.65 -0.78 -0.02 0.00 -2.08 0.00 0.00 39.78 37.55 1n76 n ASN 623 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1n76 s GLY 624 N -2.12 2.92 0.13 4.83 0.00 -1.24 -4.95 107.32 106.90 1n76 s GLY 624 Ca 0.57 1.00 -0.19 0.00 0.00 0.00 0.00 44.72 46.10 1n76 s GLY 624 CO 0.03 1.55 1.73 1.48 0.00 0.00 0.00 173.10 177.88 1n76 h SER 625 N 2.93 -0.02 -0.08 1.64 4.64 -1.37 -2.15 113.55 119.14 1n76 h SER 625 Ca -0.48 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1n76 h SER 625 Cb 1.23 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1n76 h SER 625 CO 0.64 0.02 0.00 0.47 -0.87 0.00 0.00 176.83 177.09 1n76 n ASP 626 N -5.11 1.11 -3.22 4.97 9.92 0.13 -4.87 116.55 119.48 1n76 n ASP 626 Ca -0.02 -2.06 -0.21 0.00 -0.53 0.00 0.00 54.79 51.97 1n76 n ASP 626 Cb 0.11 -0.32 0.18 0.00 -0.64 0.00 0.00 41.12 40.45 1n76 n ASP 626 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1n76 n PRO 628 N -3.92 0.00 -0.23 0.00 -0.02 -1.26 -4.16 135.00 125.40 1n76 n PRO 628 Ca 0.10 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.61 1n76 n PRO 628 Cb 0.41 0.00 0.11 0.00 -0.02 0.00 0.00 33.50 34.00 1n76 n PRO 628 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1n76 h ASP 629 N 0.00 -0.45 0.00 2.55 3.32 -1.93 -3.37 116.42 116.54 1n76 h ASP 629 Ca 0.00 0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1n76 h ASP 629 Cb 0.00 0.36 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1n76 h ASP 629 CO 0.00 -0.19 -0.43 0.29 -1.72 0.00 0.00 179.24 177.20 1n76 n LYS 630 N -5.38 0.23 -3.53 3.56 5.02 -1.07 -5.11 118.16 111.88 1n76 n LYS 630 Ca 0.11 0.09 -0.13 0.00 -2.02 0.00 0.00 58.31 56.35 1n76 n LYS 630 Cb 0.40 -0.84 -0.05 0.00 -0.02 0.00 0.00 35.03 34.52 1n76 n LYS 630 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1n76 s PHE 631 N -2.11 -0.51 -0.01 2.13 5.36 -1.11 -5.08 117.98 116.65 1n76 s PHE 631 Ca -0.12 0.75 0.01 0.00 -0.96 0.00 0.00 56.93 56.60 1n76 s PHE 631 Cb 0.02 0.46 0.00 0.00 -0.34 0.00 0.00 43.02 43.16 1n76 s PHE 631 CO 0.18 -0.54 -0.02 0.00 -1.46 0.00 0.00 175.22 173.39 1n76 h LEU 633 N 6.29 0.55 -4.00 0.00 3.38 -0.61 -3.31 115.31 117.61 1n76 h LEU 633 Ca -0.29 -0.94 -0.60 0.00 0.09 0.00 0.00 57.88 56.15 1n76 h LEU 633 Cb 1.19 -0.18 -0.25 0.00 0.09 0.00 0.00 40.66 41.51 1n76 h LEU 633 CO 0.50 1.50 0.77 0.49 0.09 0.00 0.00 178.44 181.79 1n76 n PHE 634 N -4.00 2.75 -3.66 1.13 3.72 -1.26 -4.62 117.46 111.52 1n76 n PHE 634 Ca -0.16 -2.68 -0.15 0.00 -0.05 0.00 0.00 57.45 54.41 1n76 n PHE 634 Cb 0.90 -1.31 -0.15 0.00 -0.94 0.00 0.00 39.48 37.98 1n76 n PHE 634 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1n76 s GLN 635 N -3.30 0.08 0.00 -1.08 2.00 -1.25 -4.47 119.66 111.65 1n76 s GLN 635 Ca 0.56 0.63 0.00 0.00 -2.00 0.00 0.00 55.36 54.55 1n76 s GLN 635 Cb 0.44 -0.20 0.00 0.00 0.80 0.00 0.00 33.01 34.04 1n76 s GLN 635 CO -0.06 -0.31 0.16 -1.13 -0.50 0.00 0.00 175.29 173.46 1n76 n SER 636 N 5.34 0.00 -1.82 6.67 3.41 -1.26 -4.84 113.62 121.12 1n76 n SER 636 Ca -0.05 -1.00 -0.02 0.00 -0.26 0.00 0.00 58.87 57.54 1n76 n SER 636 Cb 0.50 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.46 1n76 n SER 636 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1n76 n GLU 637 N 0.00 -0.37 -4.07 4.33 -0.58 -1.26 -4.34 120.64 114.35 1n76 n GLU 637 Ca 0.00 0.33 -0.33 0.00 -0.42 0.00 0.00 57.16 56.74 1n76 n GLU 637 Cb 0.43 -2.32 -0.00 0.00 -0.57 0.00 0.00 31.44 28.97 1n76 n GLU 637 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1n76 n THR 638 N -1.61 -1.65 0.09 2.62 -2.24 -1.26 -4.81 114.28 105.42 1n76 n THR 638 Ca -0.01 -0.05 0.01 0.00 -2.27 0.00 0.00 64.05 61.74 1n76 n THR 638 Cb 0.52 -2.28 -0.02 0.00 -2.10 0.00 0.00 70.33 66.45 1n76 n THR 638 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1n76 n LYS 639 N -4.51 4.38 -3.70 -0.78 5.02 -1.26 -4.86 118.16 112.45 1n76 n LYS 639 Ca 0.03 -0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.09 1n76 n LYS 639 Cb 0.52 -0.75 0.04 0.00 -0.02 0.00 0.00 35.03 34.82 1n76 n LYS 639 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1n76 n ASN 640 N -1.22 -1.99 -4.68 4.39 3.02 -1.26 -4.95 115.26 108.57 1n76 n ASN 640 Ca 0.00 -0.78 -0.42 0.00 -0.03 0.00 0.00 54.58 53.35 1n76 n ASN 640 Cb 0.05 -4.20 -0.03 0.00 -0.61 0.00 0.00 39.78 35.00 1n76 n ASN 640 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1n76 s LEU 641 N -6.75 4.24 0.00 3.41 1.02 -1.26 -4.39 118.68 114.95 1n76 s LEU 641 Ca 0.12 1.66 0.00 0.00 0.02 0.00 0.00 54.13 55.93 1n76 s LEU 641 Cb -0.06 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.60 1n76 s LEU 641 CO 0.80 -0.56 0.00 0.18 0.02 0.00 0.00 176.35 176.80 1n76 n LEU 642 N 5.35 0.00 -4.83 1.79 4.77 -1.26 -4.76 117.00 118.06 1n76 n LEU 642 Ca 0.10 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.86 1n76 n LEU 642 Cb 0.47 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 1n76 n LEU 642 CO 0.54 0.00 -0.05 -0.36 -1.33 0.00 0.00 177.39 176.19 1n76 s PHE 643 N 0.00 2.59 0.36 -1.77 0.08 -1.26 -4.66 117.98 113.33 1n76 s PHE 643 Ca 0.00 -0.55 -0.26 0.00 0.12 0.00 0.00 56.93 56.25 1n76 s PHE 643 Cb 0.00 -2.09 -0.09 0.00 -0.57 0.00 0.00 43.02 40.27 1n76 s PHE 643 CO 0.00 -0.05 1.05 -0.80 -0.10 0.00 0.00 175.22 175.32 1n76 s ASN 644 N -4.07 6.93 0.41 1.36 0.01 -1.26 -4.60 114.94 113.73 1n76 s ASN 644 Ca 0.45 2.07 0.20 0.00 -0.71 0.00 0.00 52.86 54.87 1n76 s ASN 644 Cb -0.01 -2.59 0.87 0.00 0.41 0.00 0.00 41.25 39.93 1n76 s ASN 644 CO 0.26 -0.37 1.83 0.44 -1.51 0.00 0.00 177.10 177.75 1n76 h ASP 645 N 2.88 0.00 -0.36 -1.22 3.32 -1.91 -1.75 116.42 117.39 1n76 h ASP 645 Ca -0.48 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 1n76 h ASP 645 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1n76 h ASP 645 CO 0.64 0.31 0.02 -0.46 -1.72 0.00 0.00 179.24 178.03 1n76 n ASN 646 N -3.65 3.80 -4.71 6.45 6.94 -1.26 -4.71 115.26 118.12 1n76 n ASN 646 Ca -0.01 -2.58 -0.42 0.00 -0.02 0.00 0.00 54.58 51.55 1n76 n ASN 646 Cb 0.43 -0.62 -0.03 0.00 -2.36 0.00 0.00 39.78 37.20 1n76 n ASN 646 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1n76 s THR 647 N -2.04 4.87 -0.16 5.53 2.01 -0.66 -3.90 115.64 121.28 1n76 s THR 647 Ca 0.33 2.03 -0.22 0.00 0.31 0.00 0.00 61.69 64.14 1n76 s THR 647 Cb 0.25 -4.31 -0.20 0.00 0.01 0.00 0.00 72.50 68.26 1n76 s THR 647 CO 0.09 0.15 0.43 -0.08 -0.69 0.00 0.00 174.62 174.52 1n76 h GLU 648 N 6.82 0.00 -2.35 4.92 4.81 -1.50 -3.47 114.58 123.82 1n76 h GLU 648 Ca -0.40 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.80 1n76 h GLU 648 Cb 1.21 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.43 1n76 h GLU 648 CO 0.76 0.84 0.23 0.00 -0.73 0.00 0.00 179.01 180.11 1n76 s LEU 650 N -1.80 4.30 0.23 0.00 1.43 -1.26 -1.95 118.68 119.63 1n76 s LEU 650 Ca -0.06 1.63 0.10 0.00 -1.03 0.00 0.00 54.13 54.78 1n76 s LEU 650 Cb -0.00 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 1n76 s LEU 650 CO 0.01 -0.40 -0.13 0.00 0.23 0.00 0.00 176.35 176.05 1n76 s ALA 651 N 1.66 2.86 0.76 4.21 0.00 -0.49 -4.71 121.76 126.05 1n76 s ALA 651 Ca 0.51 -1.64 -0.12 0.00 0.00 0.00 0.00 51.96 50.70 1n76 s ALA 651 Cb -0.20 -0.55 0.06 0.00 0.00 0.00 0.00 23.12 22.42 1n76 s ALA 651 CO 0.22 0.37 1.13 1.03 0.00 0.00 0.00 175.76 178.51 1n76 s ARG 652 N -3.14 2.13 0.03 0.00 0.52 -1.04 -1.79 118.95 115.65 1n76 s ARG 652 Ca 0.27 1.41 0.22 0.00 -0.52 0.00 0.00 55.73 57.11 1n76 s ARG 652 Cb -0.07 -1.87 -0.04 0.00 0.52 0.00 0.00 34.95 33.49 1n76 s ARG 652 CO 0.15 -1.77 0.94 1.28 0.02 0.00 0.00 175.30 175.92 1n76 n LEU 653 N -3.23 0.61 -2.81 2.53 4.77 -1.26 -4.82 117.00 112.80 1n76 n LEU 653 Ca 0.11 -0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1n76 n LEU 653 Cb 0.52 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.60 1n76 n LEU 653 CO 0.50 0.08 0.04 1.41 -1.33 0.00 0.00 177.39 178.09 1n76 n HIS 654 N -1.90 -1.77 0.00 -1.77 8.25 -1.26 -3.68 115.22 113.09 1n76 n HIS 654 Ca 0.02 0.66 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 1n76 n HIS 654 Cb 0.43 -3.91 0.00 0.00 1.12 0.00 0.00 29.99 27.63 1n76 n HIS 654 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n76 n GLY 655 N -1.23 2.40 3.55 -1.41 0.00 -1.26 -4.94 105.19 102.30 1n76 n GLY 655 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1n76 n GLY 655 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n76 s LYS 656 N -0.29 3.69 0.00 1.61 1.02 -1.24 -4.78 119.74 119.74 1n76 s LYS 656 Ca 0.00 -1.41 0.24 0.00 0.02 0.00 0.00 55.97 54.82 1n76 s LYS 656 Cb 0.00 -5.34 0.33 0.00 -0.52 0.00 0.00 37.83 32.30 1n76 s LYS 656 CO 0.00 -2.16 1.34 0.25 -0.92 0.00 0.00 175.35 173.86 1n76 n THR 657 N 6.58 0.21 -4.27 2.17 -2.24 -1.26 -4.68 114.28 110.79 1n76 n THR 657 Ca 0.35 -0.59 -0.15 0.00 -2.27 0.00 0.00 64.05 61.40 1n76 n THR 657 Cb 0.50 1.23 -0.10 0.00 -2.10 0.00 0.00 70.33 69.85 1n76 n THR 657 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1n76 s THR 658 N -1.79 0.59 0.47 4.28 -4.23 -1.26 -4.12 115.64 109.57 1n76 s THR 658 Ca 0.33 -1.99 0.25 0.00 -1.18 0.00 0.00 61.69 59.11 1n76 s THR 658 Cb 0.21 -2.35 0.29 0.00 1.34 0.00 0.00 72.50 71.99 1n76 s THR 658 CO 0.31 -0.26 2.11 0.10 -0.54 0.00 0.00 174.62 176.34 1n76 h TYR 659 N 2.57 0.00 -0.06 3.99 -0.00 -1.91 -0.13 116.97 121.43 1n76 h TYR 659 Ca -0.37 0.00 -0.24 0.00 -0.00 0.00 0.00 58.73 58.12 1n76 h TYR 659 Cb 1.22 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 37.97 1n76 h TYR 659 CO 0.49 0.10 -0.89 0.93 -0.00 0.00 0.00 178.16 178.79 1n76 h GLU 660 N 0.00 0.70 0.00 0.10 5.08 -1.95 -3.05 114.58 115.46 1n76 h GLU 660 Ca -0.00 -0.68 -0.11 0.00 -1.00 0.00 0.00 59.36 57.57 1n76 h GLU 660 Cb 0.24 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1n76 h GLU 660 CO 0.01 1.27 -0.77 0.87 -1.00 0.00 0.00 179.01 179.39 1n76 h LYS 661 N 0.39 0.00 0.07 2.33 1.57 -1.43 -2.86 116.57 116.63 1n76 h LYS 661 Ca -0.09 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1n76 h LYS 661 Cb 1.54 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.86 1n76 h LYS 661 CO 0.18 0.39 -0.47 -0.92 -0.57 0.00 0.00 179.45 178.05 1n76 h TYR 662 N 0.00 0.26 -0.28 -1.35 3.20 -1.38 -3.36 116.97 114.07 1n76 h TYR 662 Ca -0.05 -0.19 -0.18 0.00 3.14 0.00 0.00 58.73 61.45 1n76 h TYR 662 Cb 1.40 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.66 1n76 h TYR 662 CO 0.00 1.18 -0.54 -0.07 -1.64 0.00 0.00 178.16 177.09 1n76 h LEU 663 N -0.69 0.92 0.00 2.82 3.38 -1.63 -3.49 115.31 116.62 1n76 h LEU 663 Ca -0.09 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1n76 h LEU 663 Cb 1.33 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1n76 h LEU 663 CO 0.06 1.28 0.00 0.61 0.09 0.00 0.00 178.44 180.48 1n76 n GLY 664 N 0.33 2.73 0.36 0.83 0.00 -1.08 -4.62 105.19 103.74 1n76 n GLY 664 Ca -0.04 -1.46 0.01 0.00 0.00 0.00 0.00 46.02 44.53 1n76 n GLY 664 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n76 h PRO 665 N 0.00 -0.02 0.00 1.61 0.11 -1.91 -2.31 132.00 129.48 1n76 h PRO 665 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1n76 h PRO 665 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1n76 h PRO 665 CO 0.00 -0.01 -0.28 0.00 -0.21 0.00 0.00 178.00 177.49 1n76 n GLN 666 N -5.52 0.21 0.10 1.05 10.64 -1.26 -2.62 117.38 119.98 1n76 n GLN 666 Ca 0.11 0.11 -0.04 0.00 -1.83 0.00 0.00 57.00 55.35 1n76 n GLN 666 Cb 0.42 -1.68 0.11 0.00 -0.86 0.00 0.00 30.24 28.23 1n76 n GLN 666 CO 0.00 0.00 0.00 -0.92 -1.83 0.00 0.00 177.06 174.31 1n76 h TYR 667 N 0.00 0.18 0.00 2.61 3.20 -1.69 -1.70 116.97 119.57 1n76 h TYR 667 Ca 0.00 -0.08 -0.11 0.00 3.14 0.00 0.00 58.73 61.68 1n76 h TYR 667 Cb 0.68 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 1n76 h TYR 667 CO 0.00 0.76 -0.54 0.28 -1.64 0.00 0.00 178.16 177.02 1n76 h VAL 668 N 0.09 1.14 -0.32 1.81 2.07 -1.41 -2.34 116.25 117.28 1n76 h VAL 668 Ca -0.01 -2.03 -0.17 0.00 0.82 0.00 0.00 66.70 65.30 1n76 h VAL 668 Cb 1.20 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 33.15 1n76 h VAL 668 CO 0.10 0.53 -0.48 0.00 0.02 0.00 0.00 177.57 177.74 1n76 h ALA 669 N 1.46 0.54 -0.20 1.67 0.00 -1.18 -2.71 119.26 118.85 1n76 h ALA 669 Ca -0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1n76 h ALA 669 Cb 1.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1n76 h ALA 669 CO 0.07 0.68 0.07 0.78 0.00 0.00 0.00 179.25 180.85 1n76 h GLY 670 N 0.77 0.32 0.91 0.00 0.00 -0.93 -2.87 103.07 101.27 1n76 h GLY 670 Ca 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 1n76 h GLY 670 CO 0.11 0.17 -0.07 -2.22 0.00 0.00 0.00 176.54 174.53 1n76 h ILE 671 N 0.15 0.90 -0.81 2.60 1.08 -1.45 -3.04 117.51 116.95 1n76 h ILE 671 Ca 0.06 -0.19 0.15 0.00 -0.39 0.00 0.00 64.86 64.49 1n76 h ILE 671 Cb 0.20 1.01 -0.10 0.00 -3.07 0.00 0.00 36.82 34.87 1n76 h ILE 671 CO -0.00 0.05 0.37 0.74 -0.69 0.00 0.00 178.15 178.61 1n76 h THR 672 N -0.29 0.67 -0.50 -0.27 2.02 -1.40 -0.56 112.91 112.58 1n76 h THR 672 Ca -0.02 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.01 1n76 h THR 672 Cb 0.23 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 66.72 1n76 h THR 672 CO 0.03 0.09 0.28 0.78 0.37 0.00 0.00 175.52 177.08 1n76 h ASN 673 N 0.52 0.44 0.58 4.18 2.35 -1.44 -0.70 115.58 121.51 1n76 h ASN 673 Ca 0.45 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.18 1n76 h ASN 673 Cb 0.67 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.96 1n76 h ASN 673 CO -0.40 0.31 -0.16 -0.07 -1.65 0.00 0.00 177.43 175.47 1n76 h LEU 674 N 0.56 0.00 0.00 1.61 3.38 -1.03 -2.41 115.31 117.42 1n76 h LEU 674 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1n76 h LEU 674 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1n76 h LEU 674 CO -0.11 0.16 -0.01 0.29 0.09 0.00 0.00 178.44 178.85 1n76 n LYS 675 N -3.52 0.23 0.13 1.13 4.76 -0.31 -2.96 118.16 117.62 1n76 n LYS 675 Ca -0.01 0.19 0.01 0.00 -2.87 0.00 0.00 58.31 55.62 1n76 n LYS 675 Cb 0.31 -1.77 0.31 0.00 -1.84 0.00 0.00 35.03 32.04 1n76 n LYS 675 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1n76 h LYS 676 N 0.00 0.16 -0.03 1.97 1.79 -0.99 -2.63 116.57 116.84 1n76 h LYS 676 Ca 0.00 -0.06 -0.22 0.00 -2.18 0.00 0.00 60.65 58.19 1n76 h LYS 676 Cb 0.71 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 1n76 h LYS 676 CO 0.00 0.47 -0.90 0.00 -1.08 0.00 0.00 179.45 177.94 1n76 s SER 678 N -7.08 -0.92 0.11 0.00 1.04 -1.00 -5.09 113.70 100.76 1n76 s SER 678 Ca -0.06 1.39 0.04 0.00 0.48 0.00 0.00 55.95 57.79 1n76 s SER 678 Cb 0.09 1.62 -0.04 0.00 0.10 0.00 0.00 66.02 67.79 1n76 s SER 678 CO 0.87 -0.21 0.10 0.42 0.98 0.00 0.00 173.24 175.40 1n76 s THR 679 N 1.97 4.52 0.68 2.02 -4.23 -1.19 -4.50 115.64 114.92 1n76 s THR 679 Ca -0.08 -0.87 -0.11 0.00 -1.18 0.00 0.00 61.69 59.44 1n76 s THR 679 Cb -0.07 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.55 1n76 s THR 679 CO -0.19 0.04 1.07 -0.94 -0.54 0.00 0.00 174.62 174.07 1n76 s SER 680 N -2.64 5.61 0.54 3.99 1.04 -1.26 -4.93 113.70 116.05 1n76 s SER 680 Ca 0.30 1.17 0.29 0.00 0.48 0.00 0.00 55.95 58.19 1n76 s SER 680 Cb -0.11 -2.02 1.54 0.00 0.10 0.00 0.00 66.02 65.52 1n76 s SER 680 CO 0.23 -1.23 2.10 -0.65 0.98 0.00 0.00 173.24 174.66 1n76 h PRO 681 N -0.56 0.00 0.00 4.02 0.11 -2.00 -2.01 132.00 131.56 1n76 h PRO 681 Ca -0.45 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.45 1n76 h PRO 681 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1n76 h PRO 681 CO 0.63 0.09 -1.06 1.25 -0.21 0.00 0.00 178.00 178.70 1n76 h LEU 682 N 0.00 0.00 -0.48 2.35 5.85 -1.98 -2.22 115.31 118.83 1n76 h LEU 682 Ca -0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 1n76 h LEU 682 Cb 0.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1n76 h LEU 682 CO 0.01 0.93 -0.65 0.25 -0.34 0.00 0.00 178.44 178.64 1n76 h LEU 683 N 0.00 0.50 -0.49 2.25 7.12 -1.78 -2.03 115.31 120.87 1n76 h LEU 683 Ca -0.06 -0.30 -0.16 0.00 0.13 0.00 0.00 57.88 57.50 1n76 h LEU 683 Cb 1.76 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 41.72 1n76 h LEU 683 CO 0.11 1.02 -0.75 -0.08 -0.13 0.00 0.00 178.44 178.61 1n76 h GLU 684 N 0.31 0.02 0.11 1.25 4.81 -1.34 -2.71 114.58 117.04 1n76 h GLU 684 Ca -0.02 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1n76 h GLU 684 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1n76 h GLU 684 CO 0.11 0.76 -0.06 0.00 -0.73 0.00 0.00 179.01 179.10 1n76 h ALA 685 N 1.23 -0.15 -0.01 2.92 0.00 -1.09 -2.99 119.26 119.17 1n76 h ALA 685 Ca -0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1n76 h ALA 685 Cb 1.33 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1n76 h ALA 685 CO 0.10 -0.32 -0.29 0.00 0.00 0.00 0.00 179.25 178.73 1n76 h GLU 687 N 0.02 0.53 -0.40 0.00 4.57 -1.45 -1.67 114.58 116.18 1n76 h GLU 687 Ca -0.00 -0.10 -0.12 0.00 -1.18 0.00 0.00 59.36 57.96 1n76 h GLU 687 Cb 0.53 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1n76 h GLU 687 CO 0.04 0.52 -0.23 0.35 -1.18 0.00 0.00 179.01 178.51 1n76 h PHE 688 N 0.52 1.01 0.00 0.92 3.57 -1.25 -3.18 116.94 118.53 1n76 h PHE 688 Ca 0.12 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1n76 h PHE 688 Cb 0.26 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1n76 h PHE 688 CO 0.01 1.05 0.00 -0.07 -2.23 0.00 0.00 178.31 177.07 1n76 h LEU 689 N 0.68 0.00 0.03 0.59 3.38 -1.15 -3.21 115.31 115.62 1n76 h LEU 689 Ca 0.08 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 1n76 h LEU 689 Cb 0.80 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.57 1n76 h LEU 689 CO 0.07 0.00 -0.75 0.03 0.09 0.00 0.00 178.44 177.87 1n76 h ARG 690 N 0.00 0.46 0.00 1.13 2.47 -1.35 -3.52 114.38 113.58 1n76 h ARG 690 Ca 0.00 -0.53 0.00 0.00 -1.26 0.00 0.00 59.98 58.19 1n76 h ARG 690 Cb 0.82 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.30 1n76 h ARG 690 CO 0.00 1.18 0.00 1.63 0.56 0.00 0.00 179.97 183.34