#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h3m n LEU 6 N 0.00 3.80 -4.80 0.27 4.77 -1.26 -4.83 117.00 114.94 1h3m n LEU 6 Ca 0.00 -2.07 -0.38 0.00 -0.03 0.00 0.00 56.01 53.53 1h3m n LEU 6 Cb 0.00 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 40.59 1h3m n LEU 6 CO 0.00 0.90 0.38 -1.81 -1.33 0.00 0.00 177.39 175.53 1h3m s ASP 7 N -1.01 7.17 -0.00 -1.43 1.11 -1.26 -4.77 116.67 116.47 1h3m s ASP 7 Ca 0.43 1.43 0.05 0.00 0.18 0.00 0.00 52.55 54.64 1h3m s ASP 7 Cb 0.23 -2.42 -0.01 0.00 1.07 0.00 0.00 42.92 41.79 1h3m s ASP 7 CO 0.28 0.18 -0.16 -0.69 1.18 0.00 0.00 175.17 175.95 1h3m s VAL 8 N -1.25 1.30 -0.06 -1.27 1.01 0.08 -4.26 120.40 115.94 1h3m s VAL 8 Ca 0.35 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1h3m s VAL 8 Cb -0.20 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1h3m s VAL 8 CO 0.22 0.30 -0.07 0.00 0.00 0.00 0.00 175.10 175.55 1h3m s ALA 10 N -0.82 2.79 -0.06 0.00 0.00 -0.08 -1.00 121.76 122.59 1h3m s ALA 10 Ca 0.13 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.13 1h3m s ALA 10 Cb -0.11 -1.02 -0.00 0.00 0.00 0.00 0.00 23.12 21.99 1h3m s ALA 10 CO 0.02 0.58 -0.21 0.08 0.00 0.00 0.00 175.76 176.23 1h3m s VAL 11 N -0.84 1.74 -0.30 0.00 1.01 0.11 0.13 120.40 122.26 1h3m s VAL 11 Ca 0.13 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1h3m s VAL 11 Cb -0.11 -1.49 0.09 0.00 0.00 0.00 0.00 36.38 34.87 1h3m s VAL 11 CO 0.03 0.49 0.05 -0.69 0.00 0.00 0.00 175.10 174.98 1h3m s VAL 12 N 0.07 1.40 -0.28 2.92 1.01 0.15 -1.79 120.40 123.88 1h3m s VAL 12 Ca -0.07 -1.60 -0.28 0.00 0.00 0.00 0.00 61.98 60.03 1h3m s VAL 12 Cb -0.14 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1h3m s VAL 12 CO 0.04 -0.51 1.92 -2.16 0.00 0.00 0.00 175.10 174.39 1h3m s PRO 13 N 1.38 3.31 -0.50 2.72 0.04 -1.26 -0.65 135.00 140.03 1h3m s PRO 13 Ca 0.06 1.65 0.06 0.00 0.04 0.00 0.00 61.00 62.81 1h3m s PRO 13 Cb -0.18 -4.24 0.38 0.00 0.04 0.00 0.00 34.50 30.50 1h3m s PRO 13 CO -0.15 -1.89 1.02 0.00 0.04 0.00 0.00 177.00 176.02 1h3m n ALA 14 N 10.57 4.76 -3.72 8.56 0.00 0.12 -4.48 120.51 136.31 1h3m n ALA 14 Ca 0.25 -4.44 -0.13 0.00 0.00 0.00 0.00 53.44 49.11 1h3m n ALA 14 Cb 0.46 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 19.22 1h3m n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h3m n ALA 15 N -0.34 0.39 -1.78 0.00 0.00 -1.25 -4.04 120.51 113.50 1h3m n ALA 15 Ca 0.34 -1.08 -0.01 0.00 0.00 0.00 0.00 53.44 52.69 1h3m n ALA 15 Cb 0.54 0.86 0.00 0.00 0.00 0.00 0.00 19.45 20.86 1h3m n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h3m n GLY 16 N -0.27 -0.06 3.50 0.00 0.00 -1.26 -4.99 105.19 102.11 1h3m n GLY 16 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1h3m n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h3m n GLU 24 N -1.39 -0.23 0.00 1.61 1.02 -1.26 -5.11 120.64 115.28 1h3m n GLU 24 Ca -0.00 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1h3m n GLU 24 Cb 0.51 -3.92 0.00 0.00 -0.02 0.00 0.00 31.44 28.00 1h3m n GLU 24 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1h3m s PRO 26 N 0.00 4.24 0.30 0.00 0.02 -1.26 -4.92 135.00 133.39 1h3m s PRO 26 Ca 0.00 2.38 0.10 0.00 0.02 0.00 0.00 61.00 63.49 1h3m s PRO 26 Cb 0.00 -3.05 0.47 0.00 0.02 0.00 0.00 34.50 31.94 1h3m s PRO 26 CO 0.00 -0.39 1.69 0.87 -0.33 0.00 0.00 177.00 178.84 1h3m h LYS 27 N 3.83 0.07 0.00 5.54 1.79 -1.90 -2.23 116.57 123.67 1h3m h LYS 27 Ca -0.49 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 1h3m h LYS 27 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1h3m h LYS 27 CO 0.70 0.56 0.12 -0.56 -1.08 0.00 0.00 179.45 179.19 1h3m h GLN 28 N 0.06 0.00 -0.01 3.15 3.07 -1.90 -0.17 115.11 119.31 1h3m h GLN 28 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1h3m h GLN 28 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.48 1h3m h GLN 28 CO 0.07 0.00 -0.17 0.66 0.09 0.00 0.00 178.83 179.48 1h3m n TYR 29 N -2.25 0.00 -1.48 0.06 0.53 -0.84 -2.29 117.16 110.88 1h3m n TYR 29 Ca -0.01 0.00 -0.36 0.00 -1.02 0.00 0.00 57.90 56.51 1h3m n TYR 29 Cb 0.15 0.00 0.09 0.00 -1.03 0.00 0.00 39.34 38.55 1h3m n TYR 29 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 1h3m n LEU 30 N 0.10 5.45 -4.43 7.72 4.77 -0.08 -4.82 117.00 125.71 1h3m n LEU 30 Ca 0.06 0.73 -0.30 0.00 -0.03 0.00 0.00 56.01 56.47 1h3m n LEU 30 Cb 0.28 -1.54 -0.13 0.00 -2.33 0.00 0.00 43.42 39.70 1h3m n LEU 30 CO 0.13 -1.26 -0.52 -0.44 -1.33 0.00 0.00 177.39 173.97 1h3m s SER 31 N -1.67 3.59 -0.20 -1.43 0.01 -1.26 -1.31 113.70 111.43 1h3m s SER 31 Ca 0.79 -0.53 -0.02 0.00 1.31 0.00 0.00 55.95 57.50 1h3m s SER 31 Cb -0.34 -0.47 0.06 0.00 0.21 0.00 0.00 66.02 65.48 1h3m s SER 31 CO 0.44 0.23 0.02 -0.63 0.41 0.00 0.00 173.24 173.72 1h3m s ILE 32 N -0.95 0.65 0.00 1.44 1.01 0.51 -4.94 121.20 118.92 1h3m s ILE 32 Ca 0.14 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1h3m s ILE 32 Cb -0.10 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.25 1h3m s ILE 32 CO 0.05 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.42 1h3m n GLY 33 N 5.00 3.46 0.26 6.18 0.00 -1.26 -3.20 105.19 115.65 1h3m n GLY 33 Ca -0.09 -0.11 0.03 0.00 0.00 0.00 0.00 46.02 45.84 1h3m n GLY 33 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1h3m h ASN 34 N 0.00 0.32 -3.51 1.61 2.35 -2.03 -3.46 115.58 110.85 1h3m h ASN 34 Ca 0.00 -0.04 -0.49 0.00 -0.55 0.00 0.00 56.30 55.21 1h3m h ASN 34 Cb 0.00 -0.08 -0.17 0.00 0.05 0.00 0.00 38.32 38.12 1h3m h ASN 34 CO 0.00 0.38 -0.77 -1.10 -1.65 0.00 0.00 177.43 174.29 1h3m s GLN 35 N -4.98 1.26 0.69 0.81 -0.21 -1.19 -5.12 119.66 110.91 1h3m s GLN 35 Ca -0.07 -1.43 -0.15 0.00 0.02 0.00 0.00 55.36 53.74 1h3m s GLN 35 Cb 0.16 -1.24 0.02 0.00 1.00 0.00 0.00 33.01 32.95 1h3m s GLN 35 CO 0.73 0.24 1.13 0.95 -2.12 0.00 0.00 175.29 176.23 1h3m s THR 36 N -2.28 2.96 0.28 -0.19 -4.23 -1.26 -0.36 115.64 110.57 1h3m s THR 36 Ca 0.17 0.44 -0.02 0.00 -1.18 0.00 0.00 61.69 61.09 1h3m s THR 36 Cb -0.04 -2.95 0.37 0.00 1.34 0.00 0.00 72.50 71.22 1h3m s THR 36 CO 0.06 -0.28 1.59 0.40 -0.54 0.00 0.00 174.62 175.85 1h3m h ILE 37 N -0.19 0.13 -0.58 2.99 1.08 -1.15 -1.31 117.51 118.47 1h3m h ILE 37 Ca -0.47 -0.02 0.05 0.00 -0.39 0.00 0.00 64.86 64.04 1h3m h ILE 37 Cb 1.26 0.08 -0.05 0.00 -3.07 0.00 0.00 36.82 35.04 1h3m h ILE 37 CO 0.52 0.01 0.30 0.25 -0.69 0.00 0.00 178.15 178.54 1h3m h LEU 38 N 0.04 0.43 -0.58 1.44 5.85 -1.44 0.22 115.31 121.27 1h3m h LEU 38 Ca 0.52 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 59.18 1h3m h LEU 38 Cb 1.00 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1h3m h LEU 38 CO -0.85 0.29 0.01 -0.33 -0.34 0.00 0.00 178.44 177.22 1h3m h GLU 39 N 0.57 1.03 -0.82 1.25 5.08 -1.57 0.18 114.58 120.30 1h3m h GLU 39 Ca 0.26 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1h3m h GLU 39 Cb 0.17 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1h3m h GLU 39 CO -0.18 1.01 0.43 0.45 -1.00 0.00 0.00 179.01 179.72 1h3m h HIS 40 N 0.92 1.15 0.02 4.33 3.86 -0.43 0.01 115.15 125.00 1h3m h HIS 40 Ca 0.17 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1h3m h HIS 40 Cb 0.54 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1h3m h HIS 40 CO 0.04 0.81 -0.01 0.77 0.86 0.00 0.00 177.93 180.40 1h3m h SER 41 N 1.15 -0.02 -0.60 2.45 0.02 -0.21 -2.23 113.55 114.12 1h3m h SER 41 Ca 0.29 -0.39 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1h3m h SER 41 Cb 0.06 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1h3m h SER 41 CO -0.04 0.38 0.26 0.58 -1.14 0.00 0.00 176.83 176.86 1h3m h VAL 42 N -0.43 1.22 -0.71 2.27 2.07 -0.59 -1.75 116.25 118.34 1h3m h VAL 42 Ca -0.00 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1h3m h VAL 42 Cb 0.41 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1h3m h VAL 42 CO 0.00 0.26 0.44 0.45 0.02 0.00 0.00 177.57 178.75 1h3m h HIS 43 N 0.82 0.91 -0.11 1.57 3.86 -1.01 0.10 115.15 121.29 1h3m h HIS 43 Ca 0.20 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.35 1h3m h HIS 43 Cb 0.17 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 1h3m h HIS 43 CO 0.01 0.59 -0.27 0.00 0.86 0.00 0.00 177.93 179.11 1h3m h ALA 44 N 1.52 1.34 0.14 2.45 0.00 -0.70 -2.62 119.26 121.39 1h3m h ALA 44 Ca 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1h3m h ALA 44 Cb -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1h3m h ALA 44 CO -0.05 0.46 -0.07 -0.07 0.00 0.00 0.00 179.25 179.52 1h3m h LEU 45 N 0.18 -0.16 -2.30 0.00 3.38 -0.37 -3.30 115.31 112.74 1h3m h LEU 45 Ca 0.03 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.72 1h3m h LEU 45 Cb 0.58 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1h3m h LEU 45 CO 0.04 0.26 0.20 -0.07 0.09 0.00 0.00 178.44 178.96 1h3m h LEU 46 N -0.60 0.00 -1.05 1.67 3.38 -0.51 -2.66 115.31 115.54 1h3m h LEU 46 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1h3m h LEU 46 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1h3m h LEU 46 CO 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.54 1h3m h ALA 47 N 1.74 1.21 -2.55 1.53 0.00 -1.56 -3.43 119.26 116.20 1h3m h ALA 47 Ca 0.06 -0.24 -0.53 0.00 0.00 0.00 0.00 54.91 54.20 1h3m h ALA 47 Cb 0.46 -0.17 0.03 0.00 0.00 0.00 0.00 17.79 18.10 1h3m h ALA 47 CO -0.00 0.52 0.78 -1.58 0.00 0.00 0.00 179.25 178.96 1h3m s HIS 48 N -4.94 3.16 0.30 0.00 5.65 -1.01 -4.89 115.29 113.57 1h3m s HIS 48 Ca -0.08 0.85 0.05 0.00 0.25 0.00 0.00 55.06 56.13 1h3m s HIS 48 Cb 0.15 -3.75 0.81 0.00 -1.18 0.00 0.00 32.58 28.60 1h3m s HIS 48 CO 0.79 -2.69 1.66 -1.35 -0.65 0.00 0.00 174.74 172.49 1h3m h PRO 49 N 6.87 0.26 0.00 2.88 0.11 -1.90 -1.91 132.00 138.31 1h3m h PRO 49 Ca -0.42 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 1h3m h PRO 49 Cb 1.21 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1h3m h PRO 49 CO 0.88 0.17 -0.22 0.00 -0.21 0.00 0.00 178.00 178.62 1h3m h ARG 50 N 0.27 0.00 -5.84 1.05 3.08 -1.90 -3.40 114.38 107.64 1h3m h ARG 50 Ca 0.60 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 60.03 1h3m h ARG 50 Cb 1.24 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.17 1h3m h ARG 50 CO -0.62 0.22 1.26 0.08 -1.07 0.00 0.00 179.97 179.84 1h3m s VAL 51 N -3.94 4.12 0.13 2.04 1.01 -0.72 -0.74 120.40 122.29 1h3m s VAL 51 Ca -0.01 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.20 1h3m s VAL 51 Cb 0.12 -4.96 -0.19 0.00 0.00 0.00 0.00 36.38 31.34 1h3m s VAL 51 CO 0.63 -1.81 1.31 0.11 0.00 0.00 0.00 175.10 175.35 1h3m h LYS 52 N 9.58 0.00 -3.50 2.72 6.56 -1.73 -3.45 116.57 126.75 1h3m h LYS 52 Ca 0.13 -0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.66 1h3m h LYS 52 Cb 1.02 0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 32.55 1h3m h LYS 52 CO 1.33 0.96 -0.14 -0.98 -2.06 0.00 0.00 179.45 178.56 1h3m s ARG 53 N -2.80 1.04 -0.10 3.15 1.70 -1.25 -4.83 118.95 115.87 1h3m s ARG 53 Ca 0.01 -0.79 0.02 0.00 -0.47 0.00 0.00 55.73 54.50 1h3m s ARG 53 Cb 0.10 0.44 0.01 0.00 -0.57 0.00 0.00 34.95 34.94 1h3m s ARG 53 CO 0.81 -0.39 -0.16 0.08 -1.08 0.00 0.00 175.30 174.56 1h3m s VAL 54 N -3.83 1.50 -0.25 4.99 1.01 -0.47 -0.90 120.40 122.45 1h3m s VAL 54 Ca 0.04 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 1h3m s VAL 54 Cb 0.02 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1h3m s VAL 54 CO -0.11 0.44 0.07 -0.69 0.00 0.00 0.00 175.10 174.81 1h3m s VAL 55 N 0.84 4.33 -0.25 2.92 1.01 0.12 -2.29 120.40 127.08 1h3m s VAL 55 Ca -0.10 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.63 1h3m s VAL 55 Cb -0.15 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1h3m s VAL 55 CO 0.01 0.34 0.11 -0.63 0.00 0.00 0.00 175.10 174.93 1h3m s ILE 56 N 1.60 4.80 -0.41 2.22 1.01 -0.72 0.30 121.20 130.00 1h3m s ILE 56 Ca 0.06 -0.01 -0.26 0.00 0.00 0.00 0.00 60.65 60.44 1h3m s ILE 56 Cb -0.15 -3.24 0.02 0.00 0.01 0.00 0.00 42.46 39.10 1h3m s ILE 56 CO 0.04 0.33 0.95 0.00 0.00 0.00 0.00 174.94 176.26 1h3m s ALA 57 N 1.40 3.32 -0.01 9.38 0.00 0.17 -2.29 121.76 133.74 1h3m s ALA 57 Ca 0.06 -0.56 0.07 0.00 0.00 0.00 0.00 51.96 51.53 1h3m s ALA 57 Cb -0.15 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 1h3m s ALA 57 CO 0.06 -1.83 -0.23 0.96 0.00 0.00 0.00 175.76 174.72 1h3m s ILE 58 N 3.68 1.81 0.49 0.00 -4.36 -0.83 0.15 121.20 122.13 1h3m s ILE 58 Ca 0.39 -1.01 -0.21 0.00 -0.26 0.00 0.00 60.65 59.56 1h3m s ILE 58 Cb -0.11 -1.51 -0.07 0.00 1.25 0.00 0.00 42.46 42.02 1h3m s ILE 58 CO 0.23 0.49 1.12 -0.94 0.24 0.00 0.00 174.94 176.07 1h3m s SER 59 N -0.60 6.10 0.21 4.36 1.04 -1.26 0.10 113.70 123.65 1h3m s SER 59 Ca 0.09 2.17 -0.16 0.00 0.48 0.00 0.00 55.95 58.52 1h3m s SER 59 Cb -0.09 -2.59 0.21 0.00 0.10 0.00 0.00 66.02 63.66 1h3m s SER 59 CO -0.01 -0.96 1.41 -2.65 0.98 0.00 0.00 173.24 172.02 1h3m n PRO 60 N -0.82 -0.22 -1.75 4.02 -0.02 -1.26 -3.29 135.00 131.66 1h3m n PRO 60 Ca 0.09 1.40 -0.34 0.00 -2.02 0.00 0.00 63.50 62.63 1h3m n PRO 60 Cb 0.50 -2.08 0.05 0.00 -0.02 0.00 0.00 33.50 31.95 1h3m n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h3m n GLY 61 N -1.43 5.87 3.12 -1.23 0.00 -1.26 -4.98 105.19 105.28 1h3m n GLY 61 Ca 0.09 -2.47 -0.33 0.00 0.00 0.00 0.00 46.02 43.31 1h3m n GLY 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h3m s ASP 62 N -2.09 3.72 0.00 1.61 2.15 -1.21 -4.99 116.67 115.87 1h3m s ASP 62 Ca 0.57 -0.92 0.23 0.00 0.43 0.00 0.00 52.55 52.86 1h3m s ASP 62 Cb 0.46 -1.53 0.40 0.00 -0.30 0.00 0.00 42.92 41.95 1h3m s ASP 62 CO -0.14 -0.08 1.38 -1.54 -0.17 0.00 0.00 175.17 174.61 1h3m n SER 63 N 4.57 3.41 0.05 -0.34 3.41 -1.26 -4.17 113.62 119.28 1h3m n SER 63 Ca -0.18 -1.98 -0.21 0.00 -0.26 0.00 0.00 58.87 56.24 1h3m n SER 63 Cb 0.47 -0.23 -0.11 0.00 -0.26 0.00 0.00 64.21 64.08 1h3m n SER 63 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1h3m h ARG 64 N 4.41 0.65 0.11 4.33 -0.00 -2.01 -3.37 114.38 118.50 1h3m h ARG 64 Ca 0.00 -0.75 -0.01 0.00 -0.50 0.00 0.00 59.98 58.73 1h3m h ARG 64 Cb 0.98 0.22 0.00 0.00 0.00 0.00 0.00 29.97 31.17 1h3m h ARG 64 CO 0.00 1.32 -0.05 0.35 0.00 0.00 0.00 179.97 181.59 1h3m h PHE 65 N 0.30 -0.14 0.00 3.04 3.57 -1.99 -3.16 116.94 118.57 1h3m h PHE 65 Ca -0.14 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1h3m h PHE 65 Cb 1.72 0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.50 1h3m h PHE 65 CO 0.11 0.02 0.07 0.00 -2.23 0.00 0.00 178.31 176.28 1h3m h ALA 66 N 0.62 1.06 -0.01 2.41 0.00 -1.81 -0.07 119.26 121.46 1h3m h ALA 66 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h3m h ALA 66 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1h3m h ALA 66 CO 0.02 -0.06 -0.03 1.04 0.00 0.00 0.00 179.25 180.23 1h3m n GLN 67 N -2.63 1.29 -4.02 0.00 1.13 -1.19 -4.68 117.38 107.27 1h3m n GLN 67 Ca -0.02 -0.55 -0.34 0.00 -1.94 0.00 0.00 57.00 54.15 1h3m n GLN 67 Cb 0.12 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 28.92 1h3m n GLN 67 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1h3m s LEU 68 N -2.09 4.11 0.07 1.08 1.43 -0.04 -4.96 118.68 118.28 1h3m s LEU 68 Ca 0.39 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 1h3m s LEU 68 Cb 0.21 -2.32 0.03 0.00 0.03 0.00 0.00 46.19 44.14 1h3m s LEU 68 CO 0.37 0.30 0.62 -2.65 0.23 0.00 0.00 176.35 175.22 1h3m n PRO 69 N 1.31 0.01 0.07 1.29 -0.02 -1.26 -1.21 135.00 135.18 1h3m n PRO 69 Ca -0.14 0.15 -0.02 0.00 -2.02 0.00 0.00 63.50 61.47 1h3m n PRO 69 Cb 0.53 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.93 1h3m n PRO 69 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1h3m h LEU 70 N 0.00 0.00 0.00 2.45 3.38 -1.93 -3.20 115.31 116.02 1h3m h LEU 70 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h3m h LEU 70 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1h3m h LEU 70 CO 0.00 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.25 1h3m n ALA 71 N -2.34 1.58 -1.76 1.53 0.00 -0.35 -3.00 120.51 116.17 1h3m n ALA 71 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1h3m n ALA 71 Cb 0.86 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1h3m n ALA 71 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1h3m n ASN 72 N -1.15 0.00 -4.73 0.00 0.23 -1.23 -5.06 115.26 103.33 1h3m n ASN 72 Ca 0.04 -1.48 -0.42 0.00 -0.53 0.00 0.00 54.58 52.19 1h3m n ASN 72 Cb 0.03 -0.10 -0.03 0.00 -2.08 0.00 0.00 39.78 37.61 1h3m n ASN 72 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1h3m s HIS 73 N 0.00 3.00 0.56 -2.53 2.46 -1.16 -4.91 115.29 112.71 1h3m s HIS 73 Ca 0.00 0.65 0.31 0.00 0.47 0.00 0.00 55.06 56.49 1h3m s HIS 73 Cb 0.00 -3.96 1.46 0.00 -0.13 0.00 0.00 32.58 29.95 1h3m s HIS 73 CO 0.00 -3.48 1.84 -1.35 -2.47 0.00 0.00 174.74 169.28 1h3m h PRO 74 N 6.36 0.00 -0.44 2.88 0.11 -1.94 -2.00 132.00 136.98 1h3m h PRO 74 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1h3m h PRO 74 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1h3m h PRO 74 CO 0.89 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.72 1h3m n GLN 75 N -4.01 2.88 -3.93 1.05 6.02 -1.26 -4.93 117.38 113.20 1h3m n GLN 75 Ca 0.17 -2.25 -0.35 0.00 -0.01 0.00 0.00 57.00 54.56 1h3m n GLN 75 Cb 0.94 -1.38 -0.14 0.00 1.02 0.00 0.00 30.24 30.69 1h3m n GLN 75 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1h3m s ILE 76 N -1.11 3.53 -0.19 5.09 1.09 -0.75 -1.37 121.20 127.48 1h3m s ILE 76 Ca 0.31 -0.44 -0.12 0.00 -1.10 0.00 0.00 60.65 59.30 1h3m s ILE 76 Cb 0.17 -2.61 -0.05 0.00 -1.06 0.00 0.00 42.46 38.91 1h3m s ILE 76 CO 0.19 0.42 0.20 -0.89 -0.10 0.00 0.00 174.94 174.76 1h3m s THR 77 N 1.42 5.36 0.36 2.92 2.01 -0.97 -4.71 115.64 122.03 1h3m s THR 77 Ca 0.05 0.34 -0.11 0.00 0.31 0.00 0.00 61.69 62.27 1h3m s THR 77 Cb -0.14 -3.54 -0.07 0.00 0.01 0.00 0.00 72.50 68.75 1h3m s THR 77 CO -0.02 0.40 0.73 -0.69 -0.69 0.00 0.00 174.62 174.35 1h3m s VAL 78 N 0.55 4.78 0.26 3.82 1.01 -1.26 -1.76 120.40 127.79 1h3m s VAL 78 Ca 0.11 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 1h3m s VAL 78 Cb -0.12 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1h3m s VAL 78 CO 0.01 -0.38 0.27 0.68 0.00 0.00 0.00 175.10 175.68 1h3m s VAL 79 N -2.21 0.00 0.12 2.92 -7.23 -0.97 -4.92 120.40 108.12 1h3m s VAL 79 Ca 0.51 -1.86 -0.12 0.00 -1.81 0.00 0.00 61.98 58.70 1h3m s VAL 79 Cb -0.10 -2.48 -0.06 0.00 0.56 0.00 0.00 36.38 34.29 1h3m s VAL 79 CO 0.26 0.00 0.49 -1.81 -0.31 0.00 0.00 175.10 173.73 1h3m s ASP 80 N -3.21 6.75 1.22 4.85 1.11 -1.26 -1.97 116.67 124.16 1h3m s ASP 80 Ca 0.36 0.96 -0.14 0.00 0.18 0.00 0.00 52.55 53.91 1h3m s ASP 80 Cb 0.04 -2.24 0.31 0.00 1.07 0.00 0.00 42.92 42.09 1h3m s ASP 80 CO 0.17 0.13 0.98 0.61 1.18 0.00 0.00 175.17 178.24 1h3m n GLY 81 N 0.82 -2.26 1.65 0.21 0.00 0.29 -4.59 105.19 101.30 1h3m n GLY 81 Ca -0.06 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 1h3m n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3m n GLY 82 N 1.14 3.62 0.11 -0.02 0.00 -1.26 -4.82 105.19 103.96 1h3m n GLY 82 Ca 0.02 -1.95 -0.01 0.00 0.00 0.00 0.00 46.02 44.09 1h3m n GLY 82 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h3m h ASP 83 N 0.86 0.00 -3.80 1.61 3.32 -1.97 -3.46 116.42 112.98 1h3m h ASP 83 Ca -0.15 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.54 1h3m h ASP 83 Cb 0.60 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.01 1h3m h ASP 83 CO 0.23 0.65 -0.69 -1.61 -1.72 0.00 0.00 179.24 176.09 1h3m s GLU 84 N -2.88 1.21 0.26 3.56 2.02 -1.26 -5.01 118.70 116.59 1h3m s GLU 84 Ca 0.02 -1.56 -0.02 0.00 0.02 0.00 0.00 54.97 53.42 1h3m s GLU 84 Cb 0.08 -0.70 0.46 0.00 0.10 0.00 0.00 34.13 34.07 1h3m s GLU 84 CO 0.78 0.03 1.81 -0.09 0.02 0.00 0.00 175.26 177.80 1h3m h ARG 85 N 2.62 0.79 -0.02 1.61 2.43 -1.94 -2.84 114.38 117.03 1h3m h ARG 85 Ca -0.37 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 58.76 1h3m h ARG 85 Cb 1.21 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1h3m h ARG 85 CO 0.64 0.52 -0.05 0.00 -1.51 0.00 0.00 179.97 179.57 1h3m h ALA 86 N 1.49 -0.04 0.24 2.80 0.00 -1.96 -2.65 119.26 119.15 1h3m h ALA 86 Ca 0.43 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1h3m h ALA 86 Cb 0.44 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1h3m h ALA 86 CO -0.27 -0.54 -0.26 -0.44 0.00 0.00 0.00 179.25 177.74 1h3m h ASP 87 N -0.09 -0.70 -1.00 0.00 3.32 -1.92 -2.74 116.42 113.30 1h3m h ASP 87 Ca 0.03 0.07 0.23 0.00 0.02 0.00 0.00 57.03 57.37 1h3m h ASP 87 Cb 0.12 0.24 -0.19 0.00 0.22 0.00 0.00 39.33 39.73 1h3m h ASP 87 CO -0.07 -0.37 -0.15 -1.20 -1.72 0.00 0.00 179.24 175.73 1h3m n SER 88 N -5.38 -0.27 -0.03 6.45 7.64 -1.09 -0.91 113.62 120.03 1h3m n SER 88 Ca -0.08 1.71 -0.12 0.00 1.01 0.00 0.00 58.87 61.38 1h3m n SER 88 Cb 0.29 -0.56 -0.07 0.00 -1.01 0.00 0.00 64.21 62.86 1h3m n SER 88 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1h3m h VAL 89 N 0.00 1.27 -0.67 0.44 2.07 -1.19 0.15 116.25 118.32 1h3m h VAL 89 Ca 0.53 -0.87 0.14 0.00 0.82 0.00 0.00 66.70 67.32 1h3m h VAL 89 Cb 0.92 1.66 -0.11 0.00 -1.52 0.00 0.00 31.29 32.24 1h3m h VAL 89 CO -0.99 0.25 0.00 -0.07 0.02 0.00 0.00 177.57 176.78 1h3m h LEU 90 N -0.12 -0.30 -0.28 2.57 3.38 -0.98 0.18 115.31 119.76 1h3m h LEU 90 Ca 0.03 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.22 1h3m h LEU 90 Cb 0.39 0.30 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 1h3m h LEU 90 CO 0.01 -0.14 -0.09 0.74 0.09 0.00 0.00 178.44 179.05 1h3m h THR 91 N 0.11 0.68 -0.67 0.22 2.02 -0.74 -3.04 112.91 111.48 1h3m h THR 91 Ca 0.36 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.57 1h3m h THR 91 Cb 0.59 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 1h3m h THR 91 CO -0.58 0.00 0.44 1.23 0.37 0.00 0.00 175.52 176.99 1h3m h GLY 92 N -0.03 0.92 2.00 2.16 0.00 0.13 -2.46 103.07 105.79 1h3m h GLY 92 Ca 0.14 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1h3m h GLY 92 CO -0.30 0.29 0.00 1.41 0.00 0.00 0.00 176.54 177.93 1h3m h LEU 93 N 0.82 0.00 -0.24 3.11 3.38 -0.77 -2.09 115.31 119.53 1h3m h LEU 93 Ca 0.27 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.02 1h3m h LEU 93 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1h3m h LEU 93 CO -0.07 0.00 -0.86 0.11 0.09 0.00 0.00 178.44 177.71 1h3m h LYS 94 N 0.00 0.44 0.00 1.13 1.57 -1.51 -2.82 116.57 115.38 1h3m h LYS 94 Ca 0.00 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1h3m h LYS 94 Cb 0.28 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1h3m h LYS 94 CO 0.00 1.08 0.00 0.00 -0.57 0.00 0.00 179.45 179.96 1h3m n ALA 95 N -2.54 2.10 0.32 3.86 0.00 -0.81 -4.14 120.51 119.30 1h3m n ALA 95 Ca -0.06 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.33 1h3m n ALA 95 Cb 0.79 -1.38 0.18 0.00 0.00 0.00 0.00 19.45 19.03 1h3m n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h3m n ALA 96 N -1.46 1.48 -0.48 0.00 0.00 -1.06 -4.95 120.51 114.03 1h3m n ALA 96 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1h3m n ALA 96 Cb 0.26 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1h3m n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h3m n GLY 97 N -0.69 1.64 1.79 0.00 0.00 -1.26 -3.00 105.19 103.67 1h3m n GLY 97 Ca 0.03 -0.65 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 1h3m n GLY 97 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h3m n ASP 98 N 2.62 4.16 -4.67 1.61 8.00 -1.26 -4.97 116.55 122.03 1h3m n ASP 98 Ca 0.00 -3.01 -0.43 0.00 0.71 0.00 0.00 54.79 52.06 1h3m n ASP 98 Cb 0.00 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.37 1h3m n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h3m s ALA 99 N -2.50 3.59 -1.24 2.24 0.00 -1.16 -4.93 121.76 117.75 1h3m s ALA 99 Ca 0.44 0.58 0.30 0.00 0.00 0.00 0.00 51.96 53.28 1h3m s ALA 99 Cb 0.35 -3.59 1.40 0.00 0.00 0.00 0.00 23.12 21.29 1h3m s ALA 99 CO 0.11 -1.01 2.00 1.04 0.00 0.00 0.00 175.76 177.90 1h3m n GLN 100 N 5.99 0.24 -3.86 0.00 6.02 -1.26 -4.72 117.38 119.80 1h3m n GLN 100 Ca 0.13 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.00 1h3m n GLN 100 Cb 0.45 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.08 1h3m n GLN 100 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1h3m s TRP 101 N -2.76 -0.04 -0.02 1.08 0.52 -1.26 -2.63 118.94 113.84 1h3m s TRP 101 Ca 0.22 0.09 0.06 0.00 0.02 0.00 0.00 56.10 56.50 1h3m s TRP 101 Cb 0.20 -0.00 -0.02 0.00 -1.15 0.00 0.00 33.47 32.50 1h3m s TRP 101 CO 0.49 -0.08 -0.21 0.08 0.02 0.00 0.00 176.95 177.25 1h3m s VAL 102 N -0.27 1.66 -0.23 4.03 1.01 0.21 -2.46 120.40 124.35 1h3m s VAL 102 Ca -0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 1h3m s VAL 102 Cb -0.02 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.99 1h3m s VAL 102 CO 0.00 0.47 -0.09 -0.22 0.00 0.00 0.00 175.10 175.26 1h3m s LEU 103 N -0.48 2.88 -0.18 3.92 2.96 -0.17 -0.51 118.68 127.10 1h3m s LEU 103 Ca 0.08 -0.73 -0.02 0.00 -0.22 0.00 0.00 54.13 53.25 1h3m s LEU 103 Cb -0.08 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 1h3m s LEU 103 CO -0.01 -0.07 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.15 1h3m s VAL 104 N 1.35 3.00 0.02 1.68 1.01 0.43 0.09 120.40 127.98 1h3m s VAL 104 Ca 0.02 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1h3m s VAL 104 Cb -0.15 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1h3m s VAL 104 CO -0.06 0.48 -0.10 -2.28 0.00 0.00 0.00 175.10 173.14 1h3m s HIS 105 N 1.03 0.85 0.25 5.22 5.04 -0.74 -0.87 115.29 126.07 1h3m s HIS 105 Ca -0.01 -0.26 -0.30 0.00 -1.54 0.00 0.00 55.06 52.95 1h3m s HIS 105 Cb -0.15 -0.53 -0.10 0.00 0.04 0.00 0.00 32.58 31.85 1h3m s HIS 105 CO -0.02 -0.01 1.43 -0.51 -2.34 0.00 0.00 174.74 173.29 1h3m s ASP 106 N -0.70 6.67 0.36 9.88 1.11 -1.26 -4.28 116.67 128.45 1h3m s ASP 106 Ca 0.00 2.65 0.13 0.00 0.18 0.00 0.00 52.55 55.52 1h3m s ASP 106 Cb -0.06 -2.62 0.69 0.00 1.07 0.00 0.00 42.92 42.00 1h3m s ASP 106 CO 0.00 -0.69 1.79 0.00 1.18 0.00 0.00 175.17 177.46 1h3m h ALA 107 N 5.04 1.28 -0.37 5.23 0.00 -1.94 -2.99 119.26 125.52 1h3m h ALA 107 Ca -0.46 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1h3m h ALA 107 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1h3m h ALA 107 CO 0.78 0.51 0.00 0.00 0.00 0.00 0.00 179.25 180.53 1h3m n ALA 108 N -2.44 3.13 -3.85 0.00 0.00 -1.26 -3.27 120.51 112.81 1h3m n ALA 108 Ca -0.02 -1.06 -0.31 0.00 0.00 0.00 0.00 53.44 52.06 1h3m n ALA 108 Cb 0.44 -1.05 -0.11 0.00 0.00 0.00 0.00 19.45 18.73 1h3m n ALA 108 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1h3m s ARG 109 N -1.91 2.50 0.12 0.00 0.52 -1.13 -0.24 118.95 118.81 1h3m s ARG 109 Ca 0.32 -3.10 0.26 0.00 -0.52 0.00 0.00 55.73 52.69 1h3m s ARG 109 Cb 0.23 -3.52 0.77 0.00 0.52 0.00 0.00 34.95 32.95 1h3m s ARG 109 CO 0.12 -1.23 1.68 -0.35 0.02 0.00 0.00 175.30 175.53 1h3m n PRO 110 N 2.42 0.19 -0.16 3.54 -0.04 -1.26 -4.21 135.00 135.48 1h3m n PRO 110 Ca 0.16 0.12 0.10 0.00 -0.04 0.00 0.00 63.50 63.84 1h3m n PRO 110 Cb 0.35 -1.68 0.28 0.00 -0.04 0.00 0.00 33.50 32.41 1h3m n PRO 110 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h3m n LEU 112 N 0.83 1.23 -4.93 0.00 7.94 -1.26 -4.71 117.00 116.10 1h3m n LEU 112 Ca 0.17 1.13 -0.26 0.00 -1.11 0.00 0.00 56.01 55.94 1h3m n LEU 112 Cb 0.43 -1.08 -0.03 0.00 0.53 0.00 0.00 43.42 43.27 1h3m n LEU 112 CO 0.13 -1.20 -0.11 -1.00 -1.11 0.00 0.00 177.39 174.11 1h3m s HIS 113 N 0.95 3.45 0.25 1.96 3.76 -1.26 -4.91 115.29 119.49 1h3m s HIS 113 Ca 0.90 0.09 -0.05 0.00 -0.15 0.00 0.00 55.06 55.85 1h3m s HIS 113 Cb -1.10 -1.64 0.27 0.00 1.11 0.00 0.00 32.58 31.22 1h3m s HIS 113 CO 0.55 0.51 1.89 1.96 -0.85 0.00 0.00 174.74 178.81 1h3m h GLN 114 N 2.10 1.23 -0.29 1.40 1.08 -1.93 -3.05 115.11 115.65 1h3m h GLN 114 Ca -0.49 -0.12 -0.09 0.00 -1.45 0.00 0.00 58.65 56.51 1h3m h GLN 114 Cb 1.20 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 28.36 1h3m h GLN 114 CO 0.67 0.87 -0.18 0.38 -0.95 0.00 0.00 178.83 179.62 1h3m h ASP 115 N 1.25 0.51 -0.34 1.46 2.03 -2.00 -2.01 116.42 117.33 1h3m h ASP 115 Ca 0.32 -0.15 -0.09 0.00 -0.73 0.00 0.00 57.03 56.38 1h3m h ASP 115 Cb -0.04 -0.14 -0.02 0.00 -0.83 0.00 0.00 39.33 38.31 1h3m h ASP 115 CO -0.06 0.71 -0.11 0.44 -1.03 0.00 0.00 179.24 179.20 1h3m h ASP 116 N 0.47 0.76 -0.04 4.15 3.32 -1.93 -2.66 116.42 120.50 1h3m h ASP 116 Ca 0.08 -0.22 -0.16 0.00 0.02 0.00 0.00 57.03 56.74 1h3m h ASP 116 Cb 0.59 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 1h3m h ASP 116 CO 0.04 0.89 -0.54 0.25 -1.72 0.00 0.00 179.24 178.16 1h3m h LEU 117 N 0.70 0.69 -0.80 1.55 5.85 -1.33 -1.60 115.31 120.37 1h3m h LEU 117 Ca 0.12 -0.37 -0.11 0.00 0.84 0.00 0.00 57.88 58.36 1h3m h LEU 117 Cb 0.58 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1h3m h LEU 117 CO 0.04 1.09 -0.54 0.00 -0.34 0.00 0.00 178.44 178.69 1h3m h ALA 118 N 0.92 0.97 -0.23 1.25 0.00 -1.37 0.25 119.26 121.06 1h3m h ALA 118 Ca 0.01 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.28 1h3m h ALA 118 Cb 1.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1h3m h ALA 118 CO 0.11 0.68 -0.43 0.00 0.00 0.00 0.00 179.25 179.60 1h3m h ARG 119 N 0.00 0.70 -0.17 0.00 3.08 -1.18 -2.65 114.38 114.16 1h3m h ARG 119 Ca -0.01 -0.45 -0.03 0.00 0.07 0.00 0.00 59.98 59.57 1h3m h ARG 119 Cb 1.04 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1h3m h ARG 119 CO 0.07 1.07 0.00 1.25 -1.07 0.00 0.00 179.97 181.29 1h3m h LEU 120 N 0.42 0.30 -0.65 3.04 5.85 -0.92 -3.21 115.31 120.12 1h3m h LEU 120 Ca 0.01 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.50 1h3m h LEU 120 Cb 1.04 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 1h3m h LEU 120 CO 0.10 0.53 0.32 -0.07 -0.34 0.00 0.00 178.44 178.98 1h3m h LEU 121 N 0.05 0.43 -1.64 2.25 3.38 -0.57 -1.81 115.31 117.40 1h3m h LEU 121 Ca 0.05 0.05 0.48 0.00 0.09 0.00 0.00 57.88 58.55 1h3m h LEU 121 Cb 0.38 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.00 1h3m h LEU 121 CO 0.01 0.27 1.05 0.00 0.09 0.00 0.00 178.44 179.85 1h3m h ALA 122 N 1.38 3.16 -1.04 1.53 0.00 -1.47 -1.09 119.26 121.74 1h3m h ALA 122 Ca 0.31 0.05 0.29 0.00 0.00 0.00 0.00 54.91 55.56 1h3m h ALA 122 Cb 0.29 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1h3m h ALA 122 CO -0.24 -1.75 0.73 -0.07 0.00 0.00 0.00 179.25 177.92 1h3m h LEU 123 N 0.04 0.11 -0.79 0.00 3.38 -1.44 -0.23 115.31 116.37 1h3m h LEU 123 Ca 0.85 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.84 1h3m h LEU 123 Cb 2.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.74 1h3m h LEU 123 CO -0.26 0.03 0.12 -1.54 0.09 0.00 0.00 178.44 176.87 1h3m n SER 124 N -4.32 0.31 0.06 -0.43 3.41 -0.41 0.38 113.62 112.62 1h3m n SER 124 Ca 0.23 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.54 1h3m n SER 124 Cb 1.04 -0.60 -0.04 0.00 -0.26 0.00 0.00 64.21 64.36 1h3m n SER 124 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1h3m n GLU 125 N -1.92 0.55 0.00 4.33 4.07 -0.10 -4.60 120.64 122.98 1h3m n GLU 125 Ca -0.01 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1h3m n GLU 125 Cb 0.13 -1.70 0.00 0.00 -0.06 0.00 0.00 31.44 29.82 1h3m n GLU 125 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1h3m n THR 126 N -2.41 0.00 -4.38 6.31 -1.04 0.16 -5.06 114.28 107.85 1h3m n THR 126 Ca -0.01 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 1h3m n THR 126 Cb 0.53 -0.14 -0.12 0.00 -1.82 0.00 0.00 70.33 68.78 1h3m n THR 126 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1h3m s SER 127 N -1.54 3.20 -0.00 8.00 0.15 0.13 -4.98 113.70 118.67 1h3m s SER 127 Ca 0.00 -0.80 0.06 0.00 0.70 0.00 0.00 55.95 55.91 1h3m s SER 127 Cb 0.00 -0.22 -0.08 0.00 -1.71 0.00 0.00 66.02 64.02 1h3m s SER 127 CO 0.00 0.12 0.24 -2.11 1.20 0.00 0.00 173.24 172.69 1h3m n ARG 128 N 0.61 3.78 -0.03 5.44 0.00 -1.26 -4.55 116.66 120.65 1h3m n ARG 128 Ca -0.15 -0.01 -0.16 0.00 -0.00 0.00 0.00 57.85 57.52 1h3m n ARG 128 Cb 0.55 -0.89 -0.14 0.00 -0.00 0.00 0.00 32.46 31.98 1h3m n ARG 128 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1h3m n THR 129 N -1.29 1.66 -2.61 8.89 -1.04 -1.26 -4.80 114.28 113.83 1h3m n THR 129 Ca 0.01 -0.71 0.00 0.00 -2.04 0.00 0.00 64.05 61.31 1h3m n THR 129 Cb 0.12 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.27 1h3m n THR 129 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h3m n GLY 130 N 1.86 -1.36 0.00 3.41 0.00 -1.26 -4.41 105.19 103.44 1h3m n GLY 130 Ca -0.29 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1h3m n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3m n GLY 131 N 0.00 0.42 3.33 -0.02 0.00 0.04 -1.66 105.19 107.30 1h3m n GLY 131 Ca 0.00 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 1h3m n GLY 131 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1h3m s ILE 132 N -2.00 1.84 0.28 -0.61 -4.36 -0.49 -0.54 121.20 115.31 1h3m s ILE 132 Ca 0.00 -1.83 -0.29 0.00 -0.26 0.00 0.00 60.65 58.27 1h3m s ILE 132 Cb 0.00 -1.79 -0.10 0.00 1.25 0.00 0.00 42.46 41.82 1h3m s ILE 132 CO 0.00 -0.23 1.10 -0.76 0.24 0.00 0.00 174.94 175.29 1h3m s LEU 133 N -2.46 4.55 0.26 0.37 1.43 -1.02 -0.95 118.68 120.86 1h3m s LEU 133 Ca 0.14 2.27 -0.12 0.00 -1.03 0.00 0.00 54.13 55.39 1h3m s LEU 133 Cb -0.07 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.52 1h3m s LEU 133 CO 0.06 -0.15 0.48 0.00 0.23 0.00 0.00 176.35 176.97 1h3m s ALA 134 N -1.13 -0.12 -0.03 4.21 0.00 0.11 -0.97 121.76 123.84 1h3m s ALA 134 Ca 0.45 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 1h3m s ALA 134 Cb -0.32 1.08 0.03 0.00 0.00 0.00 0.00 23.12 23.91 1h3m s ALA 134 CO 0.41 -0.85 0.05 0.00 0.00 0.00 0.00 175.76 175.37 1h3m s ALA 135 N -3.87 0.13 0.54 0.00 0.00 -0.76 0.16 121.76 117.96 1h3m s ALA 135 Ca 0.24 0.27 -0.21 0.00 0.00 0.00 0.00 51.96 52.26 1h3m s ALA 135 Cb -0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 23.12 22.64 1h3m s ALA 135 CO 0.10 -0.28 1.17 -2.30 0.00 0.00 0.00 175.76 174.45 1h3m n PRO 136 N 4.67 1.37 -2.90 0.00 -0.02 -1.26 0.43 135.00 137.29 1h3m n PRO 136 Ca -0.17 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.40 1h3m n PRO 136 Cb 0.50 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.60 1h3m n PRO 136 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1h3m s VAL 137 N -1.36 4.91 -0.67 -1.45 1.01 0.34 -4.71 120.40 118.48 1h3m s VAL 137 Ca 0.71 1.65 0.12 0.00 0.00 0.00 0.00 61.98 64.47 1h3m s VAL 137 Cb -0.44 -4.14 -0.12 0.00 0.00 0.00 0.00 36.38 31.68 1h3m s VAL 137 CO 0.50 0.09 0.55 0.54 0.00 0.00 0.00 175.10 176.79 1h3m n ARG 138 N 4.73 2.79 -3.58 2.72 5.12 -1.26 -4.91 116.66 122.27 1h3m n ARG 138 Ca 0.03 -0.10 -0.23 0.00 -1.93 0.00 0.00 57.85 55.63 1h3m n ARG 138 Cb 0.50 -1.09 -0.02 0.00 -1.16 0.00 0.00 32.46 30.69 1h3m n ARG 138 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1h3m s ASP 139 N -2.09 6.31 -0.01 0.55 -1.08 -1.26 -5.08 116.67 114.00 1h3m s ASP 139 Ca 0.06 0.33 -0.25 0.00 -0.52 0.00 0.00 52.55 52.16 1h3m s ASP 139 Cb 0.09 -1.98 -0.04 0.00 -1.46 0.00 0.00 42.92 39.54 1h3m s ASP 139 CO 0.48 -0.21 0.78 -0.89 0.52 0.00 0.00 175.17 175.85 1h3m s THR 140 N -2.19 4.90 -0.09 1.71 2.01 -1.26 -4.88 115.64 115.83 1h3m s THR 140 Ca 0.38 1.64 -0.01 0.00 0.31 0.00 0.00 61.69 64.01 1h3m s THR 140 Cb -0.09 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 1h3m s THR 140 CO 0.33 0.27 -0.04 -0.04 -0.69 0.00 0.00 174.62 174.46 1h3m s MET 141 N 0.54 3.05 0.04 4.92 1.00 -1.26 -5.05 119.30 122.54 1h3m s MET 141 Ca 0.41 -0.49 0.07 0.00 0.00 0.00 0.00 55.69 55.68 1h3m s MET 141 Cb -0.19 -2.74 -0.03 0.00 0.00 0.00 0.00 34.83 31.86 1h3m s MET 141 CO 0.22 0.58 -0.19 0.15 0.00 0.00 0.00 175.02 175.78 1h3m s LYS 142 N -0.57 2.06 -0.23 2.03 -0.14 -1.26 0.11 119.74 121.74 1h3m s LYS 142 Ca 0.09 -0.98 -0.12 0.00 -1.36 0.00 0.00 55.97 53.60 1h3m s LYS 142 Cb -0.12 -2.17 -0.05 0.00 -1.68 0.00 0.00 37.83 33.81 1h3m s LYS 142 CO 0.02 0.54 0.22 0.50 -0.76 0.00 0.00 175.35 175.87 1h3m s ARG 143 N -1.37 4.09 0.42 1.68 6.06 -0.07 -4.84 118.95 124.92 1h3m s ARG 143 Ca 0.14 -0.16 -0.23 0.00 -2.50 0.00 0.00 55.73 52.97 1h3m s ARG 143 Cb -0.10 -3.54 -0.09 0.00 0.06 0.00 0.00 34.95 31.28 1h3m s ARG 143 CO 0.05 0.03 1.07 0.00 -2.50 0.00 0.00 175.30 173.95 1h3m s ALA 144 N 1.14 3.03 0.29 6.12 0.00 -1.26 -0.07 121.76 131.01 1h3m s ALA 144 Ca 0.10 0.73 -0.29 0.00 0.00 0.00 0.00 51.96 52.50 1h3m s ALA 144 Cb -0.14 -3.29 -0.13 0.00 0.00 0.00 0.00 23.12 19.56 1h3m s ALA 144 CO 0.05 -0.32 1.32 0.39 0.00 0.00 0.00 175.76 177.21 1h3m n GLU 145 N -0.28 2.01 -1.79 0.00 1.02 0.46 -4.46 120.64 117.60 1h3m n GLU 145 Ca 0.06 0.71 -0.41 0.00 -0.02 0.00 0.00 57.16 57.50 1h3m n GLU 145 Cb 0.50 -2.31 -0.02 0.00 -0.02 0.00 0.00 31.44 29.59 1h3m n GLU 145 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1h3m s PRO 146 N -1.17 4.13 0.00 3.49 0.02 -1.26 -0.54 135.00 139.67 1h3m s PRO 146 Ca 0.62 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.20 1h3m s PRO 146 Cb -0.62 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 30.88 1h3m s PRO 146 CO 0.56 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 177.02 1h3m n GLY 147 N 2.13 0.47 3.75 0.52 0.00 -1.26 -4.94 105.19 105.87 1h3m n GLY 147 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1h3m n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h3m s LYS 148 N -0.45 2.20 -0.22 1.61 1.02 0.30 -5.07 119.74 119.13 1h3m s LYS 148 Ca 0.00 -1.96 0.12 0.00 0.02 0.00 0.00 55.97 54.15 1h3m s LYS 148 Cb 0.00 -1.91 0.43 0.00 -0.52 0.00 0.00 37.83 35.83 1h3m s LYS 148 CO 0.00 -0.20 1.29 0.27 -0.92 0.00 0.00 175.35 175.79 1h3m n ASN 149 N -1.29 2.10 -4.41 2.83 2.04 -1.26 -4.37 115.26 110.91 1h3m n ASN 149 Ca -0.04 -3.73 -0.26 0.00 -0.44 0.00 0.00 54.58 50.11 1h3m n ASN 149 Cb 0.65 -0.55 -0.12 0.00 -2.53 0.00 0.00 39.78 37.23 1h3m n ASN 149 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1h3m s ALA 150 N -3.18 2.44 -0.18 -2.53 0.00 -1.26 -5.01 121.76 112.04 1h3m s ALA 150 Ca 0.39 -1.62 -0.29 0.00 0.00 0.00 0.00 51.96 50.45 1h3m s ALA 150 Cb 0.37 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 1h3m s ALA 150 CO -0.03 0.39 1.53 0.42 0.00 0.00 0.00 175.76 178.07 1h3m s ILE 151 N -1.74 3.82 0.02 0.00 1.01 -1.26 -0.40 121.20 122.64 1h3m s ILE 151 Ca 0.20 0.96 -0.17 0.00 0.00 0.00 0.00 60.65 61.63 1h3m s ILE 151 Cb -0.08 -3.75 -0.10 0.00 0.01 0.00 0.00 42.46 38.55 1h3m s ILE 151 CO 0.09 -0.23 1.09 0.00 0.00 0.00 0.00 174.94 175.89 1h3m h ALA 152 N 9.86 -1.00 -2.97 9.38 0.00 -0.70 -3.43 119.26 130.39 1h3m h ALA 152 Ca -0.33 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.50 1h3m h ALA 152 Cb 1.14 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 1h3m h ALA 152 CO 0.99 -0.96 0.25 -3.38 0.00 0.00 0.00 179.25 176.16 1h3m s HIS 153 N -4.08 -0.13 0.13 0.00 0.00 -1.15 -4.98 115.29 105.09 1h3m s HIS 153 Ca -0.09 -0.37 -0.28 0.00 -3.00 0.00 0.00 55.06 51.32 1h3m s HIS 153 Cb 0.01 0.73 -0.07 0.00 -4.00 0.00 0.00 32.58 29.25 1h3m s HIS 153 CO 0.27 -1.28 0.87 0.99 -1.00 0.00 0.00 174.74 174.59 1h3m s THR 154 N -3.56 4.45 -0.08 -5.38 2.01 -1.26 -0.89 115.64 110.93 1h3m s THR 154 Ca 0.12 1.89 -0.15 0.00 0.31 0.00 0.00 61.69 63.86 1h3m s THR 154 Cb -0.06 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 1h3m s THR 154 CO 0.08 0.40 0.39 -0.69 -0.69 0.00 0.00 174.62 174.11 1h3m s VAL 155 N -0.45 5.16 -0.07 3.82 1.01 0.12 -4.87 120.40 125.12 1h3m s VAL 155 Ca 0.42 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 62.88 1h3m s VAL 155 Cb -0.23 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1h3m s VAL 155 CO 0.28 0.46 1.64 -0.62 0.00 0.00 0.00 175.10 176.86 1h3m s ASP 156 N -0.22 6.65 0.00 3.32 2.15 -1.26 -4.23 116.67 123.08 1h3m s ASP 156 Ca 0.22 2.18 0.29 0.00 0.43 0.00 0.00 52.55 55.67 1h3m s ASP 156 Cb -0.15 -2.53 1.25 0.00 -0.30 0.00 0.00 42.92 41.18 1h3m s ASP 156 CO 0.10 -0.95 1.87 -2.11 -0.17 0.00 0.00 175.17 173.91 1h3m n ARG 157 N 7.16 0.73 -1.85 4.34 1.85 -1.26 -4.65 116.66 122.98 1h3m n ARG 157 Ca 0.17 -0.25 -0.42 0.00 -1.00 0.00 0.00 57.85 56.35 1h3m n ARG 157 Cb 0.43 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.32 1h3m n ARG 157 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1h3m s ASN 158 N -2.44 6.56 -0.72 2.89 2.47 -1.26 -1.39 114.94 121.05 1h3m s ASN 158 Ca 0.30 2.45 0.00 0.00 0.42 0.00 0.00 52.86 56.03 1h3m s ASN 158 Cb 0.20 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 1h3m s ASN 158 CO 0.47 -0.98 0.00 0.61 -3.72 0.00 0.00 177.10 173.47 1h3m n GLY 159 N 4.32 0.87 3.63 1.21 0.00 -1.26 -5.03 105.19 108.94 1h3m n GLY 159 Ca 0.18 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 1h3m n GLY 159 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1h3m s LEU 160 N -1.55 3.92 -0.01 0.99 2.96 -0.49 -5.07 118.68 119.43 1h3m s LEU 160 Ca 0.00 0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 1h3m s LEU 160 Cb 0.00 -2.02 -0.00 0.00 0.50 0.00 0.00 46.19 44.67 1h3m s LEU 160 CO 0.00 0.12 -0.07 0.26 -1.32 0.00 0.00 176.35 175.34 1h3m s TRP 161 N 0.70 0.65 0.05 5.38 0.52 -1.26 -0.50 118.94 124.48 1h3m s TRP 161 Ca 0.05 -0.13 -0.31 0.00 0.02 0.00 0.00 56.10 55.74 1h3m s TRP 161 Cb -0.13 -0.44 -0.06 0.00 -1.15 0.00 0.00 33.47 31.69 1h3m s TRP 161 CO 0.02 -0.03 1.30 -1.01 0.02 0.00 0.00 176.95 177.24 1h3m s HIS 162 N -0.06 3.24 -0.06 -1.98 3.76 0.17 -4.88 115.29 115.48 1h3m s HIS 162 Ca 0.01 1.09 -0.30 0.00 -0.15 0.00 0.00 55.06 55.72 1h3m s HIS 162 Cb -0.04 -3.55 -0.02 0.00 1.11 0.00 0.00 32.58 30.08 1h3m s HIS 162 CO -0.00 -1.84 1.02 0.00 -0.85 0.00 0.00 174.74 173.07 1h3m s ALA 163 N 1.46 3.34 0.50 -1.40 0.00 -1.26 -1.82 121.76 122.58 1h3m s ALA 163 Ca 0.61 0.47 0.02 0.00 0.00 0.00 0.00 51.96 53.06 1h3m s ALA 163 Cb -0.31 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 1h3m s ALA 163 CO 0.28 -0.50 0.03 -0.51 0.00 0.00 0.00 175.76 175.06 1h3m s LEU 164 N 1.69 2.38 0.29 0.00 1.43 -0.14 -5.00 118.68 119.32 1h3m s LEU 164 Ca 0.51 -1.60 0.07 0.00 -1.03 0.00 0.00 54.13 52.08 1h3m s LEU 164 Cb -0.20 -0.79 -0.06 0.00 0.03 0.00 0.00 46.19 45.17 1h3m s LEU 164 CO 0.22 -0.83 -0.06 0.42 0.23 0.00 0.00 176.35 176.33 1h3m s THR 165 N -2.85 1.70 0.77 5.49 -4.23 -1.26 -4.07 115.64 111.18 1h3m s THR 165 Ca 0.10 -2.13 -0.12 0.00 -1.18 0.00 0.00 61.69 58.36 1h3m s THR 165 Cb 0.02 -2.50 0.06 0.00 1.34 0.00 0.00 72.50 71.42 1h3m s THR 165 CO 0.06 -0.27 1.13 -2.84 -0.54 0.00 0.00 174.62 172.15 1h3m s PRO 166 N -3.72 2.12 -0.17 3.99 0.02 -1.26 -4.82 135.00 131.17 1h3m s PRO 166 Ca 0.30 1.40 -0.02 0.00 0.02 0.00 0.00 61.00 62.70 1h3m s PRO 166 Cb 0.04 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.68 1h3m s PRO 166 CO 0.13 -1.77 -0.09 -0.65 -0.33 0.00 0.00 177.00 174.29 1h3m s GLN 167 N -4.49 3.43 -0.24 5.54 -0.21 -0.05 -2.43 119.66 121.21 1h3m s GLN 167 Ca 0.66 -0.64 0.01 0.00 0.02 0.00 0.00 55.36 55.41 1h3m s GLN 167 Cb -0.21 -2.81 0.04 0.00 1.00 0.00 0.00 33.01 31.03 1h3m s GLN 167 CO 0.51 0.07 -0.12 0.12 -2.12 0.00 0.00 175.29 173.76 1h3m s PHE 168 N 0.74 3.10 0.07 0.91 5.36 0.30 -0.43 117.98 128.03 1h3m s PHE 168 Ca -0.04 -1.97 0.03 0.00 -0.96 0.00 0.00 56.93 53.99 1h3m s PHE 168 Cb -0.15 -1.96 -0.03 0.00 -0.34 0.00 0.00 43.02 40.54 1h3m s PHE 168 CO 0.02 -0.83 -0.09 -0.06 -1.46 0.00 0.00 175.22 172.80 1h3m s PHE 169 N 1.20 0.86 0.19 10.12 0.40 0.33 -0.78 117.98 130.31 1h3m s PHE 169 Ca -0.03 -0.62 -0.32 0.00 -0.60 0.00 0.00 56.93 55.36 1h3m s PHE 169 Cb -0.17 -0.50 -0.11 0.00 0.51 0.00 0.00 43.02 42.75 1h3m s PHE 169 CO -0.07 -0.06 1.62 -2.14 0.70 0.00 0.00 175.22 175.27 1h3m s PRO 170 N -2.35 4.18 0.21 0.24 0.02 -1.26 0.65 135.00 136.68 1h3m s PRO 170 Ca -0.01 2.46 -0.10 0.00 0.02 0.00 0.00 61.00 63.38 1h3m s PRO 170 Cb -0.05 -3.11 0.29 0.00 0.02 0.00 0.00 34.50 31.65 1h3m s PRO 170 CO -0.01 -0.65 1.72 -0.09 -0.33 0.00 0.00 177.00 177.64 1h3m h ARG 171 N 6.59 0.30 0.02 5.54 1.12 -1.79 -1.29 114.38 124.88 1h3m h ARG 171 Ca -0.43 -0.02 0.01 0.00 -1.11 0.00 0.00 59.98 58.43 1h3m h ARG 171 Cb 1.20 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 31.08 1h3m h ARG 171 CO 0.92 0.20 -0.19 1.49 -3.11 0.00 0.00 179.97 179.27 1h3m h GLU 172 N 0.31 -0.25 -0.91 0.20 4.81 -1.91 0.11 114.58 116.93 1h3m h GLU 172 Ca 0.31 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.72 1h3m h GLU 172 Cb 0.44 0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.78 1h3m h GLU 172 CO -0.37 -0.17 0.51 1.25 -0.73 0.00 0.00 179.01 179.51 1h3m h LEU 173 N -0.26 0.65 -0.27 1.64 5.85 -1.94 -1.26 115.31 119.73 1h3m h LEU 173 Ca 0.00 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1h3m h LEU 173 Cb 0.27 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1h3m h LEU 173 CO -0.12 0.27 0.15 0.25 -0.34 0.00 0.00 178.44 178.66 1h3m h LEU 174 N 0.71 0.33 -0.25 2.25 5.85 -0.91 -1.70 115.31 121.60 1h3m h LEU 174 Ca 0.50 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 59.21 1h3m h LEU 174 Cb 0.71 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 1h3m h LEU 174 CO -0.36 0.30 -0.10 -0.74 -0.34 0.00 0.00 178.44 177.21 1h3m h HIS 175 N 0.33 -0.22 -0.07 1.25 2.76 0.32 -2.21 115.15 117.31 1h3m h HIS 175 Ca 0.10 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.27 1h3m h HIS 175 Cb 0.04 0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.14 1h3m h HIS 175 CO -0.04 -0.15 -0.02 -0.44 -1.30 0.00 0.00 177.93 175.98 1h3m h ASP 176 N -0.05 0.13 0.08 3.26 3.32 -1.18 -0.70 116.42 121.28 1h3m h ASP 176 Ca 0.13 -0.39 -0.11 0.00 0.02 0.00 0.00 57.03 56.68 1h3m h ASP 176 Cb 0.25 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1h3m h ASP 176 CO -0.28 0.49 -0.36 0.00 -1.72 0.00 0.00 179.24 177.36 1h3m h LEU 178 N 0.33 0.84 0.92 0.00 3.38 -1.36 -2.31 115.31 117.11 1h3m h LEU 178 Ca 0.04 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 1h3m h LEU 178 Cb 0.79 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.32 1h3m h LEU 178 CO 0.06 1.02 -0.44 0.74 0.09 0.00 0.00 178.44 179.91 1h3m h THR 179 N 0.66 0.03 -0.17 0.22 2.02 -0.30 -2.22 112.91 113.14 1h3m h THR 179 Ca 0.11 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 67.26 1h3m h THR 179 Cb 0.65 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1h3m h THR 179 CO 0.04 0.00 0.19 -0.09 0.37 0.00 0.00 175.52 176.04 1h3m h ARG 180 N -1.31 0.00 0.00 6.66 2.43 -0.55 -0.30 114.38 121.31 1h3m h ARG 180 Ca -0.13 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.88 1h3m h ARG 180 Cb 0.95 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.47 1h3m h ARG 180 CO 0.21 0.00 -1.23 0.00 -1.51 0.00 0.00 179.97 177.44 1h3m h ALA 181 N 1.78 0.65 0.12 2.80 0.00 -1.27 -2.83 119.26 120.50 1h3m h ALA 181 Ca 0.08 -0.79 -0.23 0.00 0.00 0.00 0.00 54.91 53.97 1h3m h ALA 181 Cb 0.46 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1h3m h ALA 181 CO -0.00 0.89 -1.11 -0.07 0.00 0.00 0.00 179.25 178.95 1h3m h LEU 182 N 0.00 0.39 -0.88 0.00 3.38 -0.73 0.16 115.31 117.63 1h3m h LEU 182 Ca -0.13 -0.89 0.15 0.00 0.09 0.00 0.00 57.88 57.10 1h3m h LEU 182 Cb 1.56 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 42.09 1h3m h LEU 182 CO 0.05 1.50 0.48 0.78 0.09 0.00 0.00 178.44 181.34 1h3m h ASN 183 N -0.38 0.60 0.09 -0.43 4.21 -1.22 -2.23 115.58 116.23 1h3m h ASN 183 Ca -0.23 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.37 1h3m h ASN 183 Cb 1.67 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.86 1h3m h ASN 183 CO 0.09 0.25 -0.08 -0.62 -1.29 0.00 0.00 177.43 175.78 1h3m n GLU 184 N -4.83 1.28 -1.37 0.81 1.02 -1.07 -4.95 120.64 111.52 1h3m n GLU 184 Ca 0.18 -0.68 -0.10 0.00 -0.02 0.00 0.00 57.16 56.54 1h3m n GLU 184 Cb 0.44 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.34 1h3m n GLU 184 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h3m n GLY 185 N 1.21 1.07 3.52 0.62 0.00 -0.84 -5.00 105.19 105.77 1h3m n GLY 185 Ca 0.17 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 1h3m n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h3m n ALA 186 N 0.96 -0.66 -2.43 4.61 0.00 0.54 -4.91 120.51 118.62 1h3m n ALA 186 Ca -0.10 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 1h3m n ALA 186 Cb 0.36 -1.94 -0.02 0.00 0.00 0.00 0.00 19.45 17.85 1h3m n ALA 186 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1h3m s THR 187 N -1.65 3.96 -0.22 0.00 2.01 -1.26 -4.87 115.64 113.61 1h3m s THR 187 Ca 0.72 0.95 -0.08 0.00 0.31 0.00 0.00 61.69 63.59 1h3m s THR 187 Cb -0.43 -4.38 -0.04 0.00 0.01 0.00 0.00 72.50 67.66 1h3m s THR 187 CO 0.51 -0.93 0.09 -0.63 -0.69 0.00 0.00 174.62 172.97 1h3m s ILE 188 N 5.28 4.77 -0.03 1.82 1.01 -1.26 -4.92 121.20 127.87 1h3m s ILE 188 Ca 0.55 -0.03 -0.05 0.00 0.00 0.00 0.00 60.65 61.13 1h3m s ILE 188 Cb -0.11 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 1h3m s ILE 188 CO 0.31 0.39 -0.09 0.35 0.00 0.00 0.00 174.94 175.90 1h3m n THR 189 N 4.19 0.63 -4.60 2.92 -2.24 -1.26 -5.04 114.28 108.87 1h3m n THR 189 Ca -0.16 0.27 -0.27 0.00 -2.27 0.00 0.00 64.05 61.62 1h3m n THR 189 Cb 0.52 -1.62 -0.10 0.00 -2.10 0.00 0.00 70.33 67.04 1h3m n THR 189 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1h3m s ASP 190 N -5.12 3.45 0.21 3.42 -4.77 -1.26 -4.99 116.67 107.61 1h3m s ASP 190 Ca -0.07 -1.48 -0.10 0.00 -3.30 0.00 0.00 52.55 47.60 1h3m s ASP 190 Cb 0.01 0.02 0.22 0.00 -1.09 0.00 0.00 42.92 42.08 1h3m s ASP 190 CO 0.11 -0.65 1.82 -0.33 0.70 0.00 0.00 175.17 176.82 1h3m h GLU 191 N 1.75 0.70 -0.91 2.11 3.07 -1.99 -0.91 114.58 118.40 1h3m h GLU 191 Ca -0.42 -0.04 0.06 0.00 -0.50 0.00 0.00 59.36 58.46 1h3m h GLU 191 Cb 1.26 -0.16 -0.06 0.00 -0.84 0.00 0.00 28.75 28.96 1h3m h GLU 191 CO 0.74 0.47 0.59 0.00 -1.40 0.00 0.00 179.01 179.40 1h3m h ALA 192 N 1.33 1.50 0.00 3.43 0.00 -1.98 -0.78 119.26 122.76 1h3m h ALA 192 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1h3m h ALA 192 Cb 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1h3m h ALA 192 CO -0.16 0.37 0.00 0.66 0.00 0.00 0.00 179.25 180.12 1h3m h SER 193 N 1.05 0.00 0.60 0.00 4.64 -1.56 0.66 113.55 118.94 1h3m h SER 193 Ca 0.39 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.53 1h3m h SER 193 Cb 0.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1h3m h SER 193 CO -0.14 0.00 -0.79 0.00 -0.87 0.00 0.00 176.83 175.03 1h3m h ALA 194 N 2.00 0.65 -0.14 5.18 0.00 -0.99 -2.56 119.26 123.41 1h3m h ALA 194 Ca 0.00 -0.68 -0.08 0.00 0.00 0.00 0.00 54.91 54.15 1h3m h ALA 194 Cb 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1h3m h ALA 194 CO 0.00 0.89 -0.21 -0.07 0.00 0.00 0.00 179.25 179.87 1h3m h LEU 195 N 0.08 0.43 -0.17 0.00 -0.00 -0.73 -3.02 115.31 111.91 1h3m h LEU 195 Ca -0.03 -0.52 -0.00 0.00 -0.00 0.00 0.00 57.88 57.33 1h3m h LEU 195 Cb 1.38 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.91 1h3m h LEU 195 CO 0.11 0.87 0.09 -0.33 -0.00 0.00 0.00 178.44 179.18 1h3m h GLU 196 N 0.01 0.24 -0.96 1.13 5.08 -0.98 -0.10 114.58 119.00 1h3m h GLU 196 Ca 0.01 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.46 1h3m h GLU 196 Cb 0.77 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.89 1h3m h GLU 196 CO 0.05 0.25 0.59 -0.92 -1.00 0.00 0.00 179.01 177.99 1h3m h TYR 197 N 0.17 1.08 0.00 4.33 3.20 -1.57 0.13 116.97 124.30 1h3m h TYR 197 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1h3m h TYR 197 Cb 0.08 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.01 1h3m h TYR 197 CO -0.04 0.43 0.00 0.00 -1.64 0.00 0.00 178.16 176.92 1h3m n GLY 199 N 0.20 0.54 3.74 0.00 0.00 0.44 -5.05 105.19 105.06 1h3m n GLY 199 Ca 0.00 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 1h3m n GLY 199 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h3m s PHE 200 N -2.41 3.08 -0.52 1.61 0.40 -0.12 -5.00 117.98 115.03 1h3m s PHE 200 Ca 0.00 0.00 0.03 0.00 -0.60 0.00 0.00 56.93 56.37 1h3m s PHE 200 Cb 0.00 -1.55 0.14 0.00 0.51 0.00 0.00 43.02 42.13 1h3m s PHE 200 CO 0.00 0.51 0.31 -1.01 0.70 0.00 0.00 175.22 175.73 1h3m s HIS 201 N -1.46 2.63 0.45 0.36 3.76 -1.26 -3.67 115.29 116.10 1h3m s HIS 201 Ca 0.28 -2.85 -0.22 0.00 -0.15 0.00 0.00 55.06 52.12 1h3m s HIS 201 Cb -0.11 -2.27 -0.09 0.00 1.11 0.00 0.00 32.58 31.22 1h3m s HIS 201 CO 0.21 -0.72 1.05 -2.14 -0.85 0.00 0.00 174.74 172.29 1h3m s PRO 202 N -0.28 3.92 0.51 8.40 0.02 -1.26 -4.98 135.00 141.33 1h3m s PRO 202 Ca 0.20 1.44 -0.21 0.00 0.02 0.00 0.00 61.00 62.45 1h3m s PRO 202 Cb -0.18 -2.27 -0.06 0.00 0.02 0.00 0.00 34.50 32.01 1h3m s PRO 202 CO -0.05 -0.34 1.17 -1.14 -0.33 0.00 0.00 177.00 176.31 1h3m s GLN 203 N -2.94 3.50 -0.37 5.54 2.00 -0.67 -4.86 119.66 121.87 1h3m s GLN 203 Ca 0.64 1.76 -0.14 0.00 -2.00 0.00 0.00 55.36 55.62 1h3m s GLN 203 Cb -0.19 -2.21 -0.00 0.00 0.80 0.00 0.00 33.01 31.40 1h3m s GLN 203 CO 0.24 -0.76 0.26 -0.51 -0.50 0.00 0.00 175.29 174.02 1h3m s LEU 204 N -3.43 4.74 -0.27 3.68 1.43 -1.26 -1.40 118.68 122.17 1h3m s LEU 204 Ca 0.69 -0.60 -0.09 0.00 -1.03 0.00 0.00 54.13 53.10 1h3m s LEU 204 Cb -0.28 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 1h3m s LEU 204 CO 0.33 -0.31 0.11 -0.69 0.23 0.00 0.00 176.35 176.01 1h3m s VAL 205 N 1.71 4.56 -0.02 -1.59 1.01 -0.13 -4.95 120.40 120.99 1h3m s VAL 205 Ca 0.06 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1h3m s VAL 205 Cb -0.18 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1h3m s VAL 205 CO 0.10 0.25 1.33 -0.70 0.00 0.00 0.00 175.10 176.08 1h3m s GLU 206 N 1.64 4.31 0.49 2.72 2.12 -1.26 0.09 118.70 128.81 1h3m s GLU 206 Ca 0.06 1.85 0.02 0.00 0.36 0.00 0.00 54.97 57.26 1h3m s GLU 206 Cb -0.16 -3.57 -0.01 0.00 0.26 0.00 0.00 34.13 30.65 1h3m s GLU 206 CO 0.06 -0.53 0.04 0.20 -0.54 0.00 0.00 175.26 174.48 1h3m s GLY 207 N 1.73 2.96 0.52 -1.50 0.00 0.12 -4.79 107.32 106.37 1h3m s GLY 207 Ca 0.61 -0.51 -0.20 0.00 0.00 0.00 0.00 44.72 44.62 1h3m s GLY 207 CO 0.25 -2.11 1.14 0.50 0.00 0.00 0.00 173.10 172.88 1h3m s ARG 208 N -3.83 3.45 0.00 2.90 0.52 -1.26 -4.59 118.95 116.14 1h3m s ARG 208 Ca 0.09 1.67 0.25 0.00 -0.52 0.00 0.00 55.73 57.22 1h3m s ARG 208 Cb 0.01 -2.12 1.09 0.00 0.52 0.00 0.00 34.95 34.46 1h3m s ARG 208 CO 0.05 -0.78 1.81 0.00 0.02 0.00 0.00 175.30 176.40 1h3m n ALA 209 N -1.08 2.16 1.99 2.13 0.00 -1.26 -3.26 120.51 121.19 1h3m n ALA 209 Ca 0.10 -0.09 0.15 0.00 0.00 0.00 0.00 53.44 53.60 1h3m n ALA 209 Cb 0.50 -1.41 0.88 0.00 0.00 0.00 0.00 19.45 19.43 1h3m n ALA 209 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1h3m n ASP 210 N -1.48 0.00 -4.00 0.00 5.75 -1.26 -4.47 116.55 111.09 1h3m n ASP 210 Ca 0.07 -1.06 -0.39 0.00 -0.01 0.00 0.00 54.79 53.40 1h3m n ASP 210 Cb 0.29 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.33 1h3m n ASP 210 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1h3m n ASN 211 N -0.97 2.99 -4.94 -1.12 2.85 -1.20 -4.76 115.26 108.11 1h3m n ASN 211 Ca 0.22 -2.72 -0.20 0.00 -0.11 0.00 0.00 54.58 51.77 1h3m n ASN 211 Cb 0.10 -1.40 -0.02 0.00 1.24 0.00 0.00 39.78 39.70 1h3m n ASN 211 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1h3m s ILE 212 N 6.66 4.36 -0.23 -1.44 -4.36 -1.26 -4.94 121.20 119.98 1h3m s ILE 212 Ca 0.60 -1.11 -0.10 0.00 -0.26 0.00 0.00 60.65 59.78 1h3m s ILE 212 Cb 0.09 -3.50 -0.05 0.00 1.25 0.00 0.00 42.46 40.25 1h3m s ILE 212 CO 0.10 -0.23 0.16 -0.75 0.24 0.00 0.00 174.94 174.46 1h3m s LYS 213 N -4.05 4.10 -0.45 0.37 2.20 -1.26 -4.15 119.74 116.49 1h3m s LYS 213 Ca 0.40 -0.26 -0.22 0.00 -0.36 0.00 0.00 55.97 55.54 1h3m s LYS 213 Cb -0.09 -3.51 0.03 0.00 -1.51 0.00 0.00 37.83 32.75 1h3m s LYS 213 CO 0.29 0.11 0.70 0.08 -0.36 0.00 0.00 175.35 176.17 1h3m s VAL 214 N 0.91 4.75 0.00 4.02 1.01 0.67 -4.77 120.40 126.99 1h3m s VAL 214 Ca 0.08 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1h3m s VAL 214 Cb -0.13 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1h3m s VAL 214 CO 0.03 -0.68 0.00 0.35 0.00 0.00 0.00 175.10 174.80 1h3m n THR 215 N 5.95 0.00 -0.90 3.92 -2.24 -1.26 -4.70 114.28 115.05 1h3m n THR 215 Ca -0.00 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 1h3m n THR 215 Cb 0.48 -0.40 0.07 0.00 -2.10 0.00 0.00 70.33 68.38 1h3m n THR 215 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1h3m n ARG 216 N -1.48 -0.46 0.00 -0.78 1.74 -1.26 -4.90 116.66 109.52 1h3m n ARG 216 Ca 0.00 -0.13 -0.18 0.00 -0.77 0.00 0.00 57.85 56.78 1h3m n ARG 216 Cb 0.00 -1.23 -0.10 0.00 -1.02 0.00 0.00 32.46 30.11 1h3m n ARG 216 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1h3m h PRO 217 N -1.32 0.50 0.00 5.56 0.11 -2.01 -3.29 132.00 131.55 1h3m h PRO 217 Ca -0.44 -0.50 0.00 0.00 0.11 0.00 0.00 66.00 65.17 1h3m h PRO 217 Cb 1.37 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.62 1h3m h PRO 217 CO 0.27 1.14 0.00 -0.85 -0.21 0.00 0.00 178.00 178.34 1h3m n GLU 218 N -4.15 0.09 0.18 1.05 0.00 -1.26 -2.59 120.64 113.96 1h3m n GLU 218 Ca -0.10 0.41 0.05 0.00 0.00 0.00 0.00 57.16 57.52 1h3m n GLU 218 Cb 0.69 -1.70 0.49 0.00 0.00 0.00 0.00 31.44 30.92 1h3m n GLU 218 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1h3m h ASP 219 N 0.00 0.10 -0.24 -1.84 5.19 -1.91 -3.26 116.42 114.46 1h3m h ASP 219 Ca 0.00 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.29 1h3m h ASP 219 Cb 0.22 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.70 1h3m h ASP 219 CO 0.00 0.21 -0.25 0.25 -3.12 0.00 0.00 179.24 176.33 1h3m h LEU 220 N 0.11 0.64 -0.51 1.55 5.85 -1.70 -2.57 115.31 118.68 1h3m h LEU 220 Ca 0.02 -0.48 -0.16 0.00 0.84 0.00 0.00 57.88 58.10 1h3m h LEU 220 Cb 0.24 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1h3m h LEU 220 CO 0.01 0.99 -0.59 0.00 -0.34 0.00 0.00 178.44 178.52 1h3m h ALA 221 N 0.67 0.69 -0.82 1.25 0.00 -1.79 -2.32 119.26 116.94 1h3m h ALA 221 Ca 0.04 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.42 1h3m h ALA 221 Cb 0.81 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1h3m h ALA 221 CO 0.06 0.70 0.54 1.25 0.00 0.00 0.00 179.25 181.81 1h3m h LEU 222 N 0.38 0.94 -0.56 0.00 5.85 -1.64 -1.09 115.31 119.19 1h3m h LEU 222 Ca -0.00 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1h3m h LEU 222 Cb 1.13 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1h3m h LEU 222 CO 0.11 0.68 0.26 0.00 -0.34 0.00 0.00 178.44 179.15 1h3m h ALA 223 N 1.30 0.73 -0.54 1.25 0.00 -1.17 -1.24 119.26 119.59 1h3m h ALA 223 Ca 0.30 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1h3m h ALA 223 Cb -0.13 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.38 1h3m h ALA 223 CO -0.06 0.30 0.24 1.49 0.00 0.00 0.00 179.25 181.21 1h3m h GLU 224 N 0.76 0.44 -0.52 0.00 4.81 -1.20 0.60 114.58 119.48 1h3m h GLU 224 Ca 0.19 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 1h3m h GLU 224 Cb 0.13 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 1h3m h GLU 224 CO -0.02 0.29 0.26 0.35 -0.73 0.00 0.00 179.01 179.15 1h3m h PHE 225 N 0.45 0.47 -0.34 0.92 3.57 -0.85 -1.98 116.94 119.18 1h3m h PHE 225 Ca 0.25 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.62 1h3m h PHE 225 Cb 0.22 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 1h3m h PHE 225 CO -0.13 0.22 -0.40 1.88 -2.23 0.00 0.00 178.31 177.65 1h3m h TYR 226 N 0.50 1.05 -0.55 0.41 0.99 0.13 -2.36 116.97 117.13 1h3m h TYR 226 Ca 0.23 -0.33 0.00 0.00 2.00 0.00 0.00 58.73 60.63 1h3m h TYR 226 Cb 0.15 -0.21 -0.03 0.00 1.00 0.00 0.00 36.73 37.64 1h3m h TYR 226 CO -0.11 1.14 0.36 -0.07 -0.00 0.00 0.00 178.16 179.48 1h3m h LEU 227 N 0.66 0.64 -0.22 3.88 3.38 0.26 -3.04 115.31 120.87 1h3m h LEU 227 Ca 0.04 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1h3m h LEU 227 Cb 1.00 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1h3m h LEU 227 CO 0.10 0.48 -0.37 0.74 0.09 0.00 0.00 178.44 179.47 1h3m h THR 228 N 0.75 1.32 0.00 0.22 2.02 -1.14 -3.51 112.91 112.58 1h3m h THR 228 Ca 0.20 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.80 1h3m h THR 228 Cb -0.07 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 1h3m h THR 228 CO -0.04 0.49 0.00 -2.11 0.37 0.00 0.00 175.52 174.23