#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wcs n ALA 2 N 0.00 1.18 -3.00 0.00 0.00 -1.26 -3.59 120.51 113.84 1wcs n ALA 2 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1wcs n ALA 2 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1wcs n ALA 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wcs n SER 3 N -3.59 0.27 -4.63 0.00 2.88 -1.26 -4.50 113.62 102.79 1wcs n SER 3 Ca -0.42 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.69 1wcs n SER 3 Cb 0.96 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.39 1wcs n SER 3 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1wcs s LEU 4 N 0.00 3.97 0.01 2.46 2.96 -1.14 -4.29 118.68 122.65 1wcs s LEU 4 Ca 0.00 2.28 -0.37 0.00 -0.22 0.00 0.00 54.13 55.82 1wcs s LEU 4 Cb 0.00 -3.52 -0.16 0.00 0.50 0.00 0.00 46.19 43.01 1wcs s LEU 4 CO 0.00 -1.47 1.48 0.00 -1.32 0.00 0.00 176.35 175.04 1wcs n ALA 5 N 9.44 -0.45 -1.54 5.97 0.00 -1.26 -4.83 120.51 127.84 1wcs n ALA 5 Ca 0.24 0.47 -0.43 0.00 0.00 0.00 0.00 53.44 53.72 1wcs n ALA 5 Cb 0.43 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.72 1wcs n ALA 5 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1wcs n PRO 6 N 3.42 1.01 -0.34 0.00 -0.02 -1.26 -1.11 135.00 136.70 1wcs n PRO 6 Ca 0.20 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1wcs n PRO 6 Cb 0.19 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1wcs n PRO 6 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wcs n GLY 7 N 1.44 1.00 3.47 -1.23 0.00 -1.26 -4.38 105.19 104.23 1wcs n GLY 7 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1wcs n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wcs s SER 8 N -3.00 3.77 0.22 1.61 0.01 -0.27 -4.22 113.70 111.82 1wcs s SER 8 Ca 0.00 -0.65 -0.19 0.00 1.31 0.00 0.00 55.95 56.42 1wcs s SER 8 Cb 0.00 -0.47 0.07 0.00 0.21 0.00 0.00 66.02 65.83 1wcs s SER 8 CO 0.00 0.15 0.93 -1.54 0.41 0.00 0.00 173.24 173.20 1wcs n SER 9 N 0.58 -1.76 -3.63 2.44 3.41 -0.76 -4.84 113.62 109.06 1wcs n SER 9 Ca -0.15 -2.00 -0.12 0.00 -0.26 0.00 0.00 58.87 56.35 1wcs n SER 9 Cb 0.54 2.88 -0.05 0.00 -0.26 0.00 0.00 64.21 67.31 1wcs n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wcs s ARG 10 N -2.06 1.00 0.08 4.33 1.70 -1.26 0.49 118.95 123.23 1wcs s ARG 10 Ca 0.20 -0.43 0.04 0.00 -0.47 0.00 0.00 55.73 55.08 1wcs s ARG 10 Cb -0.03 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 34.76 1wcs s ARG 10 CO 0.06 -0.36 -0.11 0.14 -1.08 0.00 0.00 175.30 173.95 1wcs s VAL 11 N -2.86 0.95 -0.95 4.99 -7.23 0.06 -4.94 120.40 110.42 1wcs s VAL 11 Ca -0.03 -1.43 -0.24 0.00 -1.81 0.00 0.00 61.98 58.47 1wcs s VAL 11 Cb -0.00 -1.14 0.05 0.00 0.56 0.00 0.00 36.38 35.85 1wcs s VAL 11 CO -0.05 -0.40 1.40 -0.70 -0.31 0.00 0.00 175.10 175.03 1wcs s GLU 12 N -2.21 3.49 0.12 4.82 2.12 -1.26 -0.00 118.70 125.78 1wcs s GLU 12 Ca 0.00 -0.93 -0.06 0.00 0.36 0.00 0.00 54.97 54.34 1wcs s GLU 12 Cb -0.07 -5.07 -0.12 0.00 0.26 0.00 0.00 34.13 29.14 1wcs s GLU 12 CO 0.01 -2.18 1.28 1.25 -0.54 0.00 0.00 175.26 175.08 1wcs h LEU 13 N 12.78 0.60 -7.46 2.70 5.85 -1.77 -3.38 115.31 124.63 1wcs h LEU 13 Ca 0.08 -0.48 -0.64 0.00 0.84 0.00 0.00 57.88 57.68 1wcs h LEU 13 Cb 1.02 -0.18 -0.40 0.00 0.37 0.00 0.00 40.66 41.46 1wcs h LEU 13 CO 1.38 1.28 -0.71 -0.36 -0.34 0.00 0.00 178.44 179.70 1wcs s PHE 14 N -3.27 3.10 -0.08 1.25 0.08 -1.09 -5.00 117.98 112.97 1wcs s PHE 14 Ca -0.06 -2.74 -0.22 0.00 0.12 0.00 0.00 56.93 54.03 1wcs s PHE 14 Cb 0.08 -2.58 -0.04 0.00 -0.57 0.00 0.00 43.02 39.92 1wcs s PHE 14 CO 0.88 -0.88 0.63 0.15 -0.10 0.00 0.00 175.22 175.90 1wcs s LYS 15 N 0.77 4.41 0.56 0.44 1.02 -1.26 -1.50 119.74 124.18 1wcs s LYS 15 Ca 0.12 0.75 -0.21 0.00 0.02 0.00 0.00 55.97 56.66 1wcs s LYS 15 Cb -0.20 -3.44 -0.05 0.00 -0.52 0.00 0.00 37.83 33.62 1wcs s LYS 15 CO -0.09 0.10 1.23 2.89 -0.92 0.00 0.00 175.35 178.56 1wcs n ARG 16 N 3.70 1.39 -2.49 1.68 1.85 -1.26 -2.63 116.66 118.89 1wcs n ARG 16 Ca -0.03 0.52 -0.06 0.00 -1.00 0.00 0.00 57.85 57.28 1wcs n ARG 16 Cb 0.51 -2.43 -0.00 0.00 -1.05 0.00 0.00 32.46 29.50 1wcs n ARG 16 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1wcs n LYS 17 N -1.04 -2.66 0.03 2.89 5.02 0.63 -4.58 118.16 118.45 1wcs n LYS 17 Ca 0.12 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1wcs n LYS 17 Cb 0.45 -4.81 0.00 0.00 -0.02 0.00 0.00 35.03 30.66 1wcs n LYS 17 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1wcs n ASN 18 N -1.64 -0.03 -4.60 4.39 2.85 -1.12 -4.91 115.26 110.19 1wcs n ASN 18 Ca -0.06 0.10 -0.43 0.00 -0.11 0.00 0.00 54.58 54.07 1wcs n ASN 18 Cb 0.55 0.08 -0.02 0.00 1.24 0.00 0.00 39.78 41.63 1wcs n ASN 18 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1wcs s SER 19 N -5.00 6.65 0.69 1.20 0.01 -1.08 -4.89 113.70 111.29 1wcs s SER 19 Ca 0.00 0.49 -0.15 0.00 1.31 0.00 0.00 55.95 57.60 1wcs s SER 19 Cb 0.00 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.71 1wcs s SER 19 CO 0.00 -1.19 1.16 0.42 0.41 0.00 0.00 173.24 174.04 1wcs s THR 20 N 4.30 2.73 0.09 1.44 -4.23 -1.26 -3.75 115.64 114.96 1wcs s THR 20 Ca 0.47 0.35 0.06 0.00 -1.18 0.00 0.00 61.69 61.39 1wcs s THR 20 Cb -0.08 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 1wcs s THR 20 CO 0.29 -0.20 -0.17 0.68 -0.54 0.00 0.00 174.62 174.69 1wcs s VAL 21 N -2.13 1.38 -0.80 2.29 -7.23 -0.60 -4.89 120.40 108.42 1wcs s VAL 21 Ca 0.71 -1.45 -0.26 0.00 -1.81 0.00 0.00 61.98 59.17 1wcs s VAL 21 Cb -0.25 -1.32 0.01 0.00 0.56 0.00 0.00 36.38 35.37 1wcs s VAL 21 CO 0.43 -0.18 1.57 -2.16 -0.31 0.00 0.00 175.10 174.45 1wcs s PRO 22 N -1.92 3.04 0.02 4.82 0.04 -1.26 -2.22 135.00 137.51 1wcs s PRO 22 Ca 0.03 -0.23 -0.23 0.00 0.04 0.00 0.00 61.00 60.61 1wcs s PRO 22 Cb -0.09 -4.64 -0.05 0.00 0.04 0.00 0.00 34.50 29.75 1wcs s PRO 22 CO 0.03 -2.51 0.68 0.12 0.04 0.00 0.00 177.00 175.36 1wcs s PHE 23 N 7.11 3.70 -0.32 0.56 5.36 0.02 -4.33 117.98 130.09 1wcs s PHE 23 Ca 0.51 1.33 -0.08 0.00 -0.96 0.00 0.00 56.93 57.73 1wcs s PHE 23 Cb -0.07 -2.71 0.01 0.00 -0.34 0.00 0.00 43.02 39.91 1wcs s PHE 23 CO 0.08 0.30 0.13 -2.00 -1.46 0.00 0.00 175.22 172.27 1wcs s GLU 24 N -0.09 3.07 0.44 10.12 2.12 -1.26 0.13 118.70 133.24 1wcs s GLU 24 Ca 0.35 -0.89 -0.25 0.00 0.36 0.00 0.00 54.97 54.55 1wcs s GLU 24 Cb -0.19 -3.50 -0.08 0.00 0.26 0.00 0.00 34.13 30.62 1wcs s GLU 24 CO 0.20 -0.50 1.28 -1.21 -0.54 0.00 0.00 175.26 174.49 1wcs s GLU 25 N 1.53 3.77 0.00 4.30 0.41 0.20 -4.85 118.70 124.06 1wcs s GLU 25 Ca 0.03 2.08 0.00 0.00 -0.41 0.00 0.00 54.97 56.67 1wcs s GLU 25 Cb -0.18 -2.59 0.00 0.00 -1.78 0.00 0.00 34.13 29.59 1wcs s GLU 25 CO 0.04 -0.63 0.00 0.45 -0.49 0.00 0.00 175.26 174.63 1wcs n SER 26 N -0.22 0.00 -2.15 -0.19 2.88 -1.26 0.92 113.62 113.60 1wcs n SER 26 Ca 0.06 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.40 1wcs n SER 26 Cb 0.45 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.87 1wcs n SER 26 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1wcs n ASN 27 N -1.68 6.20 0.00 -3.46 2.04 -1.26 -4.89 115.26 112.21 1wcs n ASN 27 Ca 0.00 -2.99 0.00 0.00 -0.44 0.00 0.00 54.58 51.15 1wcs n ASN 27 Cb 0.00 -1.20 0.00 0.00 -2.53 0.00 0.00 39.78 36.05 1wcs n ASN 27 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1wcs n GLY 28 N 1.01 1.34 3.67 4.83 0.00 0.26 -4.95 105.19 111.35 1wcs n GLY 28 Ca 0.38 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 1wcs n GLY 28 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wcs n THR 29 N -0.34 2.63 -4.30 2.61 5.66 -1.26 -4.62 114.28 114.66 1wcs n THR 29 Ca 0.00 -0.50 -0.34 0.00 -3.05 0.00 0.00 64.05 60.16 1wcs n THR 29 Cb 0.00 -1.40 -0.13 0.00 -1.55 0.00 0.00 70.33 67.25 1wcs n THR 29 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1wcs s ILE 30 N -1.24 3.73 -0.06 1.09 1.09 -1.26 0.59 121.20 125.14 1wcs s ILE 30 Ca 0.63 -0.40 0.02 0.00 -1.10 0.00 0.00 60.65 59.80 1wcs s ILE 30 Cb -0.52 -2.65 0.01 0.00 -1.06 0.00 0.00 42.46 38.24 1wcs s ILE 30 CO 0.57 0.47 -0.11 -0.60 -0.10 0.00 0.00 174.94 175.16 1wcs s ARG 31 N 0.68 1.59 -0.59 2.79 3.52 0.12 -4.91 118.95 122.15 1wcs s ARG 31 Ca -0.02 -0.37 -0.27 0.00 -0.13 0.00 0.00 55.73 54.94 1wcs s ARG 31 Cb -0.14 -1.33 -0.02 0.00 -1.56 0.00 0.00 34.95 31.90 1wcs s ARG 31 CO 0.02 0.01 1.83 -1.21 -0.81 0.00 0.00 175.30 175.15 1wcs s GLU 32 N 0.69 2.72 -0.18 5.12 0.41 -1.26 -0.80 118.70 125.40 1wcs s GLU 32 Ca -0.14 0.66 -0.09 0.00 -0.41 0.00 0.00 54.97 54.99 1wcs s GLU 32 Cb -0.16 -4.36 -0.05 0.00 -1.78 0.00 0.00 34.13 27.79 1wcs s GLU 32 CO 0.03 -2.62 0.12 0.50 -0.49 0.00 0.00 175.26 172.80 1wcs s ARG 33 N 6.85 3.97 0.59 1.61 3.52 -0.94 -4.85 118.95 129.70 1wcs s ARG 33 Ca 0.67 -0.22 -0.19 0.00 -0.13 0.00 0.00 55.73 55.86 1wcs s ARG 33 Cb -0.13 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 1wcs s ARG 33 CO 0.22 0.41 1.23 0.08 -0.81 0.00 0.00 175.30 176.43 1wcs s VAL 34 N 0.02 2.52 -0.11 7.11 1.01 -1.26 -1.56 120.40 128.13 1wcs s VAL 34 Ca 0.09 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.43 1wcs s VAL 34 Cb -0.11 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.14 1wcs s VAL 34 CO -0.00 -0.06 -0.18 -0.69 0.00 0.00 0.00 175.10 174.16 1wcs s VAL 35 N -1.54 1.69 0.00 2.92 1.01 -1.25 -4.85 120.40 118.38 1wcs s VAL 35 Ca 0.77 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1wcs s VAL 35 Cb -0.32 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1wcs s VAL 35 CO 0.35 0.48 0.75 1.57 0.00 0.00 0.00 175.10 178.24 1wcs n HIS 36 N 3.95 0.00 -4.28 5.22 -0.00 0.16 -0.27 115.22 119.99 1wcs n HIS 36 Ca -0.20 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.25 1wcs n HIS 36 Cb 0.52 -0.25 -0.09 0.00 -0.00 0.00 0.00 29.99 30.17 1wcs n HIS 36 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1wcs s SER 37 N -2.06 4.26 -0.02 0.26 0.01 -1.07 -1.09 113.70 113.99 1wcs s SER 37 Ca 0.00 -0.55 0.07 0.00 1.31 0.00 0.00 55.95 56.77 1wcs s SER 37 Cb 0.00 -0.73 -0.02 0.00 0.21 0.00 0.00 66.02 65.48 1wcs s SER 37 CO 0.00 0.11 -0.22 -0.36 0.41 0.00 0.00 173.24 173.19 1wcs s PHE 38 N -1.62 2.46 0.26 2.43 0.40 0.89 -1.08 117.98 121.73 1wcs s PHE 38 Ca 0.24 -0.34 -0.03 0.00 -0.60 0.00 0.00 56.93 56.20 1wcs s PHE 38 Cb -0.09 -1.52 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 1wcs s PHE 38 CO 0.15 0.07 0.32 1.03 0.70 0.00 0.00 175.22 177.48 1wcs s ARG 39 N -0.78 1.53 -0.87 0.44 0.52 -1.04 -3.91 118.95 114.83 1wcs s ARG 39 Ca 0.11 -1.62 -0.04 0.00 -0.52 0.00 0.00 55.73 53.66 1wcs s ARG 39 Cb -0.10 0.37 -0.02 0.00 0.52 0.00 0.00 34.95 35.72 1wcs s ARG 39 CO 0.00 -0.58 0.74 -0.89 0.02 0.00 0.00 175.30 174.60 1wcs n ILE 40 N -0.42 -8.45 -2.50 1.52 2.08 -1.26 -1.28 119.36 109.06 1wcs n ILE 40 Ca 0.02 -0.53 -0.38 0.00 0.56 0.00 0.00 62.75 62.41 1wcs n ILE 40 Cb 0.63 -5.95 -0.04 0.00 -0.75 0.00 0.00 39.64 33.54 1wcs n ILE 40 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1wcs s PRO 41 N -3.96 4.36 -0.11 0.38 0.04 -1.26 -4.12 135.00 130.33 1wcs s PRO 41 Ca 0.16 1.66 -0.05 0.00 0.04 0.00 0.00 61.00 62.81 1wcs s PRO 41 Cb -0.04 -2.83 0.06 0.00 0.04 0.00 0.00 34.50 31.73 1wcs s PRO 41 CO 0.78 0.00 0.24 0.99 0.04 0.00 0.00 177.00 179.06 1wcs s THR 42 N -1.42 -0.28 -0.18 1.26 2.01 -0.73 -4.41 115.64 111.89 1wcs s THR 42 Ca 0.52 0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.78 1wcs s THR 42 Cb -0.27 -0.40 0.02 0.00 0.01 0.00 0.00 72.50 71.86 1wcs s THR 42 CO 0.34 0.11 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.68 1wcs s ILE 43 N 2.04 2.22 0.31 1.82 2.07 -1.26 -0.80 121.20 127.60 1wcs s ILE 43 Ca -0.02 -0.89 0.04 0.00 -1.41 0.00 0.00 60.65 58.37 1wcs s ILE 43 Cb -0.12 -1.94 -0.06 0.00 0.13 0.00 0.00 42.46 40.48 1wcs s ILE 43 CO -0.08 0.53 0.04 0.68 -1.91 0.00 0.00 174.94 174.19 1wcs s VAL 44 N 1.26 1.25 -0.17 4.00 -7.23 -0.76 -4.56 120.40 114.18 1wcs s VAL 44 Ca 0.04 -2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 58.15 1wcs s VAL 44 Cb -0.13 -2.71 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 1wcs s VAL 44 CO -0.11 -0.07 -0.05 0.21 -0.31 0.00 0.00 175.10 174.78 1wcs s ASN 45 N -3.47 4.60 -0.33 4.85 2.47 -1.26 -1.18 114.94 120.62 1wcs s ASN 45 Ca 0.35 -0.22 0.03 0.00 0.42 0.00 0.00 52.86 53.44 1wcs s ASN 45 Cb 0.08 -1.76 0.09 0.00 -1.45 0.00 0.00 41.25 38.21 1wcs s ASN 45 CO 0.14 0.12 0.03 -0.69 -3.72 0.00 0.00 177.10 172.98 1wcs s VAL 46 N 0.66 2.36 -1.57 -5.21 1.01 0.70 -4.83 120.40 113.52 1wcs s VAL 46 Ca -0.03 -2.16 -0.04 0.00 0.00 0.00 0.00 61.98 59.75 1wcs s VAL 46 Cb -0.15 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.58 1wcs s VAL 46 CO 0.02 -0.49 0.52 -0.67 0.00 0.00 0.00 175.10 174.49 1wcs n ASP 47 N 4.32 -5.95 0.00 3.32 2.03 -1.26 -1.14 116.55 117.87 1wcs n ASP 47 Ca -0.00 -0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.05 1wcs n ASP 47 Cb 0.42 -4.83 0.00 0.00 -0.72 0.00 0.00 41.12 35.99 1wcs n ASP 47 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wcs n GLY 48 N -1.44 3.19 3.73 0.27 0.00 -1.26 -5.04 105.19 104.64 1wcs n GLY 48 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 1wcs n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wcs s VAL 49 N -2.70 4.99 -0.23 1.61 1.01 -0.29 -4.78 120.40 120.01 1wcs s VAL 49 Ca 0.00 1.38 -0.27 0.00 0.00 0.00 0.00 61.98 63.09 1wcs s VAL 49 Cb 0.00 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1wcs s VAL 49 CO 0.00 0.31 0.94 -0.04 0.00 0.00 0.00 175.10 176.31 1wcs s MET 50 N 0.45 4.24 -0.21 2.72 -1.94 -0.47 -0.21 119.30 123.88 1wcs s MET 50 Ca 0.35 1.18 -0.06 0.00 -1.71 0.00 0.00 55.69 55.45 1wcs s MET 50 Cb -0.18 -3.63 -0.03 0.00 2.01 0.00 0.00 34.83 33.00 1wcs s MET 50 CO 0.18 -0.55 0.02 0.08 -0.01 0.00 0.00 175.02 174.74 1wcs s VAL 51 N 2.94 4.16 -0.19 -6.03 1.01 -0.32 -1.89 120.40 120.07 1wcs s VAL 51 Ca 0.40 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 1wcs s VAL 51 Cb -0.15 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1wcs s VAL 51 CO 0.07 0.41 -0.06 0.00 0.00 0.00 0.00 175.10 175.53 1wcs s ALA 52 N 1.03 2.81 -0.09 5.51 0.00 -0.23 -1.83 121.76 128.96 1wcs s ALA 52 Ca 0.03 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 50.99 1wcs s ALA 52 Cb -0.14 -1.58 -0.00 0.00 0.00 0.00 0.00 23.12 21.40 1wcs s ALA 52 CO 0.02 -0.16 -0.24 0.42 0.00 0.00 0.00 175.76 175.80 1wcs s ILE 53 N 1.03 2.05 0.10 0.00 1.09 0.02 -1.42 121.20 124.07 1wcs s ILE 53 Ca 0.00 -1.03 -0.14 0.00 -1.10 0.00 0.00 60.65 58.38 1wcs s ILE 53 Cb -0.15 -1.77 0.03 0.00 -1.06 0.00 0.00 42.46 39.51 1wcs s ILE 53 CO -0.00 0.56 0.34 0.00 -0.10 0.00 0.00 174.94 175.75 1wcs s ALA 54 N 0.22 -0.76 0.16 9.38 0.00 -0.58 -1.78 121.76 128.40 1wcs s ALA 54 Ca -0.15 -0.13 -0.31 0.00 0.00 0.00 0.00 51.96 51.37 1wcs s ALA 54 Cb -0.17 0.57 -0.10 0.00 0.00 0.00 0.00 23.12 23.41 1wcs s ALA 54 CO 0.08 -0.57 1.64 -0.51 0.00 0.00 0.00 175.76 176.40 1wcs s ASP 55 N -2.64 6.53 -0.47 0.00 1.11 -0.40 0.98 116.67 121.78 1wcs s ASP 55 Ca 0.02 2.67 -0.17 0.00 0.18 0.00 0.00 52.55 55.25 1wcs s ASP 55 Cb 0.02 -2.59 0.06 0.00 1.07 0.00 0.00 42.92 41.48 1wcs s ASP 55 CO -0.10 -0.88 0.45 0.00 1.18 0.00 0.00 175.17 175.82 1wcs s ALA 56 N 1.51 3.49 -0.72 5.23 0.00 0.33 -2.51 121.76 129.09 1wcs s ALA 56 Ca 0.73 -1.91 -0.14 0.00 0.00 0.00 0.00 51.96 50.64 1wcs s ALA 56 Cb -0.45 -3.13 0.19 0.00 0.00 0.00 0.00 23.12 19.73 1wcs s ALA 56 CO 0.32 -1.77 0.66 1.03 0.00 0.00 0.00 175.76 176.01 1wcs s ARG 57 N 1.97 3.34 0.07 0.00 0.52 -0.24 -2.36 118.95 122.25 1wcs s ARG 57 Ca 0.08 -2.21 -0.35 0.00 -0.52 0.00 0.00 55.73 52.73 1wcs s ARG 57 Cb -0.22 -4.35 -0.18 0.00 0.52 0.00 0.00 34.95 30.73 1wcs s ARG 57 CO 0.09 -1.30 1.53 1.88 0.02 0.00 0.00 175.30 177.52 1wcs h TYR 58 N 8.11 -1.27 0.04 -0.53 -1.99 -1.52 -2.79 116.97 117.03 1wcs h TYR 58 Ca -0.03 -0.01 -0.21 0.00 2.00 0.00 0.00 58.73 60.48 1wcs h TYR 58 Cb 1.06 0.46 -0.02 0.00 2.00 0.00 0.00 36.73 40.23 1wcs h TYR 58 CO 0.92 -0.68 -1.14 0.93 -0.00 0.00 0.00 178.16 178.19 1wcs h GLU 59 N -1.10 0.09 -3.97 4.88 4.39 -1.90 0.45 114.58 117.43 1wcs h GLU 59 Ca -0.09 -0.15 -0.11 0.00 0.34 0.00 0.00 59.36 59.35 1wcs h GLU 59 Cb 0.89 0.06 -0.14 0.00 -0.10 0.00 0.00 28.75 29.46 1wcs h GLU 59 CO 0.06 1.07 -0.44 0.95 -1.16 0.00 0.00 179.01 179.50 1wcs s THR 60 N -2.39 0.13 -2.00 1.13 -4.23 -1.26 -4.66 115.64 102.36 1wcs s THR 60 Ca -0.24 -1.42 0.24 0.00 -1.18 0.00 0.00 61.69 59.09 1wcs s THR 60 Cb 0.04 -1.59 0.68 0.00 1.34 0.00 0.00 72.50 72.97 1wcs s THR 60 CO 0.67 -0.58 1.89 -1.54 -0.54 0.00 0.00 174.62 174.52 1wcs n SER 61 N -0.08 0.00 -4.69 3.99 3.41 -1.26 -4.70 113.62 110.29 1wcs n SER 61 Ca -0.12 -1.16 -0.42 0.00 -0.26 0.00 0.00 58.87 56.91 1wcs n SER 61 Cb 0.62 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 1wcs n SER 61 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1wcs s PHE 62 N -2.00 2.73 0.48 7.33 0.08 -1.26 -4.85 117.98 120.49 1wcs s PHE 62 Ca 0.36 0.68 0.43 0.00 0.12 0.00 0.00 56.93 58.51 1wcs s PHE 62 Cb 0.16 -3.74 1.46 0.00 -0.57 0.00 0.00 43.02 40.33 1wcs s PHE 62 CO 0.28 -2.83 1.34 -0.25 -0.10 0.00 0.00 175.22 173.65 1wcs n ASP 63 N 5.47 0.00 -3.70 1.36 10.43 -1.26 -2.03 116.55 126.82 1wcs n ASP 63 Ca 0.14 0.85 -0.31 0.00 2.57 0.00 0.00 54.79 58.04 1wcs n ASP 63 Cb 0.43 -0.42 -0.07 0.00 1.84 0.00 0.00 41.12 42.90 1wcs n ASP 63 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1wcs n ASN 64 N -3.62 4.11 -0.66 -2.24 3.02 -1.26 -5.01 115.26 109.60 1wcs n ASN 64 Ca 0.38 -3.36 0.00 0.00 -0.03 0.00 0.00 54.58 51.57 1wcs n ASN 64 Cb 1.73 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 40.07 1wcs n ASN 64 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1wcs n SER 65 N 1.32 0.04 -4.55 6.41 3.41 -0.86 -4.98 113.62 114.41 1wcs n SER 65 Ca 0.26 -0.65 -0.43 0.00 -0.26 0.00 0.00 58.87 57.80 1wcs n SER 65 Cb 0.38 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.29 1wcs n SER 65 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1wcs s PHE 66 N -1.62 2.92 0.10 7.33 5.36 -1.26 -4.50 117.98 126.31 1wcs s PHE 66 Ca 0.00 0.24 0.05 0.00 -0.96 0.00 0.00 56.93 56.26 1wcs s PHE 66 Cb 0.00 -3.90 -0.04 0.00 -0.34 0.00 0.00 43.02 38.74 1wcs s PHE 66 CO 0.00 -1.11 -0.12 0.42 -1.46 0.00 0.00 175.22 172.94 1wcs s ILE 67 N 3.65 1.12 0.05 3.12 1.01 -1.17 -1.51 121.20 127.48 1wcs s ILE 67 Ca 0.34 -1.60 -0.10 0.00 0.00 0.00 0.00 60.65 59.29 1wcs s ILE 67 Cb -0.11 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 41.00 1wcs s ILE 67 CO 0.24 -0.44 0.22 -1.61 0.00 0.00 0.00 174.94 173.35 1wcs s GLU 68 N -2.53 0.75 -0.10 2.79 2.02 -1.00 -2.41 118.70 118.23 1wcs s GLU 68 Ca 0.05 -0.68 -0.30 0.00 0.02 0.00 0.00 54.97 54.07 1wcs s GLU 68 Cb -0.05 0.31 -0.02 0.00 0.10 0.00 0.00 34.13 34.48 1wcs s GLU 68 CO 0.02 -0.23 1.05 0.99 0.02 0.00 0.00 175.26 177.11 1wcs s THR 69 N -2.86 4.67 0.05 3.63 2.01 -0.87 -0.52 115.64 121.76 1wcs s THR 69 Ca -0.03 1.95 0.03 0.00 0.31 0.00 0.00 61.69 63.95 1wcs s THR 69 Cb 0.00 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 1wcs s THR 69 CO -0.05 0.00 0.02 0.00 -0.69 0.00 0.00 174.62 173.90 1wcs s ALA 70 N 2.07 3.36 -0.02 7.40 0.00 0.28 -0.59 121.76 134.25 1wcs s ALA 70 Ca 0.50 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1wcs s ALA 70 Cb -0.20 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.64 1wcs s ALA 70 CO 0.19 0.69 -0.00 0.08 0.00 0.00 0.00 175.76 176.72 1wcs s VAL 71 N -1.25 0.17 -0.11 0.00 1.01 -0.81 -1.53 120.40 117.88 1wcs s VAL 71 Ca 0.24 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1wcs s VAL 71 Cb -0.12 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 36.03 1wcs s VAL 71 CO 0.16 0.12 -0.18 -0.54 0.00 0.00 0.00 175.10 174.67 1wcs s LYS 72 N 0.80 2.46 0.15 2.72 1.02 -0.51 0.53 119.74 126.91 1wcs s LYS 72 Ca -0.08 -0.65 0.07 0.00 0.02 0.00 0.00 55.97 55.32 1wcs s LYS 72 Cb -0.11 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 1wcs s LYS 72 CO -0.01 -0.01 -0.14 1.52 -0.92 0.00 0.00 175.35 175.79 1wcs s TYR 73 N 0.82 1.54 -0.06 3.18 1.13 0.43 -1.07 117.35 123.31 1wcs s TYR 73 Ca -0.09 -0.57 -0.03 0.00 -1.41 0.00 0.00 57.07 54.96 1wcs s TYR 73 Cb -0.16 -0.77 0.03 0.00 -1.10 0.00 0.00 41.96 39.96 1wcs s TYR 73 CO 0.01 0.22 0.13 0.45 -2.51 0.00 0.00 175.55 173.85 1wcs s SER 74 N -2.79 -0.11 0.00 -0.18 0.15 -0.79 -0.14 113.70 109.84 1wcs s SER 74 Ca 0.14 0.27 0.18 0.00 0.70 0.00 0.00 55.95 57.24 1wcs s SER 74 Cb -0.03 0.20 0.29 0.00 -1.71 0.00 0.00 66.02 64.77 1wcs s SER 74 CO 0.04 -0.11 1.22 1.33 1.20 0.00 0.00 173.24 176.92 1wcs n VAL 75 N 3.75 0.40 -2.11 4.45 0.24 -1.26 -1.37 118.33 122.42 1wcs n VAL 75 Ca -0.21 -0.70 -0.21 0.00 -2.04 0.00 0.00 64.34 61.18 1wcs n VAL 75 Cb 0.54 1.03 0.02 0.00 -1.47 0.00 0.00 33.84 33.97 1wcs n VAL 75 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1wcs n ASP 76 N 1.09 4.57 -3.68 -1.34 5.68 -1.26 -4.97 116.55 116.64 1wcs n ASP 76 Ca 0.14 -3.57 -0.23 0.00 -0.50 0.00 0.00 54.79 50.63 1wcs n ASP 76 Cb 0.49 -0.36 0.05 0.00 -1.14 0.00 0.00 41.12 40.17 1wcs n ASP 76 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1wcs n ASP 77 N -0.70 -3.25 0.00 -1.12 10.43 -1.26 -2.31 116.55 118.34 1wcs n ASP 77 Ca 0.40 -0.71 0.00 0.00 2.57 0.00 0.00 54.79 57.05 1wcs n ASP 77 Cb 0.95 -4.43 0.00 0.00 1.84 0.00 0.00 41.12 39.48 1wcs n ASP 77 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1wcs n GLY 78 N -1.60 0.81 0.25 0.44 0.00 -1.26 -4.89 105.19 98.94 1wcs n GLY 78 Ca -0.15 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.88 1wcs n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wcs h ALA 79 N 0.00 1.47 -2.55 4.61 0.00 -1.87 -3.44 119.26 117.47 1wcs h ALA 79 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1wcs h ALA 79 Cb 0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 17.79 17.51 1wcs h ALA 79 CO 0.00 0.38 -0.25 0.95 0.00 0.00 0.00 179.25 180.33 1wcs s THR 80 N -4.84 0.08 0.01 0.00 -4.23 -1.26 -5.09 115.64 100.31 1wcs s THR 80 Ca -0.06 -0.66 0.03 0.00 -1.18 0.00 0.00 61.69 59.82 1wcs s THR 80 Cb 0.15 -0.91 -0.01 0.00 1.34 0.00 0.00 72.50 73.07 1wcs s THR 80 CO 0.74 -0.36 -0.09 0.26 -0.54 0.00 0.00 174.62 174.63 1wcs s TRP 81 N -2.44 0.82 -0.09 3.99 0.52 -1.26 -4.26 118.94 116.22 1wcs s TRP 81 Ca -0.06 -0.26 -0.06 0.00 0.02 0.00 0.00 56.10 55.74 1wcs s TRP 81 Cb -0.01 -0.51 -0.04 0.00 -1.15 0.00 0.00 33.47 31.76 1wcs s TRP 81 CO -0.03 -0.01 0.16 -0.80 0.02 0.00 0.00 176.95 176.29 1wcs s ASN 82 N -0.68 6.41 -0.10 2.95 -0.87 0.81 -4.89 114.94 118.57 1wcs s ASN 82 Ca 0.00 0.47 0.03 0.00 -1.57 0.00 0.00 52.86 51.79 1wcs s ASN 82 Cb -0.05 -2.07 0.01 0.00 -0.02 0.00 0.00 41.25 39.12 1wcs s ASN 82 CO 0.00 0.37 -0.19 -0.89 -2.57 0.00 0.00 177.10 173.82 1wcs s THR 83 N -1.10 1.71 0.27 1.60 2.01 -1.26 -0.43 115.64 118.43 1wcs s THR 83 Ca 0.18 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.40 1wcs s THR 83 Cb -0.12 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 1wcs s THR 83 CO 0.08 0.48 0.07 -1.10 -0.69 0.00 0.00 174.62 173.46 1wcs s GLN 84 N 0.58 1.44 -0.30 4.92 -0.21 0.19 -4.72 119.66 121.57 1wcs s GLN 84 Ca -0.15 -1.77 0.03 0.00 0.02 0.00 0.00 55.36 53.49 1wcs s GLN 84 Cb -0.17 -0.46 0.08 0.00 1.00 0.00 0.00 33.01 33.46 1wcs s GLN 84 CO 0.05 -0.23 -0.03 0.42 -2.12 0.00 0.00 175.29 173.37 1wcs s ILE 85 N -3.59 2.30 0.10 1.08 -1.09 -1.26 -1.92 121.20 116.82 1wcs s ILE 85 Ca 0.35 -1.90 -0.04 0.00 -2.23 0.00 0.00 60.65 56.83 1wcs s ILE 85 Cb 0.08 -2.49 -0.23 0.00 -1.58 0.00 0.00 42.46 38.23 1wcs s ILE 85 CO 0.13 -0.27 1.23 0.00 -1.23 0.00 0.00 174.94 174.80 1wcs h ALA 86 N 7.73 0.23 -3.23 9.38 0.00 -1.16 -3.44 119.26 128.78 1wcs h ALA 86 Ca -0.13 -0.80 -0.47 0.00 0.00 0.00 0.00 54.91 53.51 1wcs h ALA 86 Cb 1.03 -0.01 -0.38 0.00 0.00 0.00 0.00 17.79 18.44 1wcs h ALA 86 CO 0.49 0.90 -0.78 0.42 0.00 0.00 0.00 179.25 180.28 1wcs s ILE 87 N -2.95 0.61 0.29 0.00 1.01 -1.13 -4.94 121.20 114.09 1wcs s ILE 87 Ca -0.05 -0.03 -0.24 0.00 0.00 0.00 0.00 60.65 60.34 1wcs s ILE 87 Cb 0.08 -0.72 -0.09 0.00 0.01 0.00 0.00 42.46 41.74 1wcs s ILE 87 CO 0.87 0.30 0.86 -0.54 0.00 0.00 0.00 174.94 176.44 1wcs s LYS 88 N 1.88 4.45 0.98 2.79 3.01 -1.26 -2.06 119.74 129.53 1wcs s LYS 88 Ca 0.05 1.15 -0.16 0.00 -1.01 0.00 0.00 55.97 56.00 1wcs s LYS 88 Cb -0.12 -2.81 0.20 0.00 -1.01 0.00 0.00 37.83 34.08 1wcs s LYS 88 CO -0.06 0.31 1.27 0.54 0.51 0.00 0.00 175.35 177.92 1wcs s ASN 89 N -1.64 2.92 0.00 2.83 6.03 -1.26 -4.89 114.94 118.92 1wcs s ASN 89 Ca 0.48 0.41 0.22 0.00 -1.03 0.00 0.00 52.86 52.94 1wcs s ASN 89 Cb -0.18 -0.56 0.98 0.00 -3.03 0.00 0.00 41.25 38.46 1wcs s ASN 89 CO 0.22 -2.87 1.70 -1.54 -2.03 0.00 0.00 177.10 172.59 1wcs n SER 90 N -3.88 0.00 -3.67 3.54 3.41 -1.26 -4.92 113.62 106.83 1wcs n SER 90 Ca 0.14 0.37 -0.23 0.00 -0.26 0.00 0.00 58.87 58.89 1wcs n SER 90 Cb 0.60 -0.45 0.01 0.00 -0.26 0.00 0.00 64.21 64.10 1wcs n SER 90 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wcs n ARG 91 N -1.45 -1.30 -0.00 4.33 5.12 -1.26 -4.92 116.66 117.18 1wcs n ARG 91 Ca 0.06 0.78 0.01 0.00 -1.93 0.00 0.00 57.85 56.77 1wcs n ARG 91 Cb 0.24 -3.23 -0.03 0.00 -1.16 0.00 0.00 32.46 28.28 1wcs n ARG 91 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wcs n ALA 92 N -2.97 2.11 -3.88 7.54 0.00 -1.26 -5.08 120.51 116.96 1wcs n ALA 92 Ca -0.20 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.00 1wcs n ALA 92 Cb 0.63 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1wcs n ALA 92 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wcs n SER 93 N -1.72 -1.08 0.10 0.00 3.41 -1.24 -4.97 113.62 108.12 1wcs n SER 93 Ca -0.02 -2.60 0.10 0.00 -0.26 0.00 0.00 58.87 56.10 1wcs n SER 93 Cb 0.19 2.04 0.45 0.00 -0.26 0.00 0.00 64.21 66.63 1wcs n SER 93 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wcs n SER 94 N -1.73 0.50 0.00 4.04 3.41 -1.26 -3.50 113.62 115.07 1wcs n SER 94 Ca 0.01 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 1wcs n SER 94 Cb 0.49 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1wcs n SER 94 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1wcs n VAL 95 N -2.06 0.00 -1.49 -3.33 0.24 -1.26 -4.20 118.33 106.23 1wcs n VAL 95 Ca 0.02 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.42 1wcs n VAL 95 Cb 0.20 1.04 0.01 0.00 -1.47 0.00 0.00 33.84 33.61 1wcs n VAL 95 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1wcs n SER 96 N -0.03 -0.32 -3.54 -1.34 7.64 -1.22 -4.44 113.62 110.36 1wcs n SER 96 Ca 0.00 0.96 -0.13 0.00 1.01 0.00 0.00 58.87 60.71 1wcs n SER 96 Cb 0.01 -1.17 -0.05 0.00 -1.01 0.00 0.00 64.21 62.00 1wcs n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wcs s ARG 97 N -1.64 0.81 -0.11 1.43 1.70 -0.87 -3.05 118.95 117.21 1wcs s ARG 97 Ca 0.63 0.10 0.01 0.00 -0.47 0.00 0.00 55.73 56.00 1wcs s ARG 97 Cb -0.62 0.38 0.02 0.00 -0.57 0.00 0.00 34.95 34.16 1wcs s ARG 97 CO 0.58 -0.27 -0.14 0.14 -1.08 0.00 0.00 175.30 174.52 1wcs s VAL 98 N -1.52 1.44 0.16 4.99 -7.23 -1.01 -1.32 120.40 115.90 1wcs s VAL 98 Ca -0.04 -0.60 0.03 0.00 -1.81 0.00 0.00 61.98 59.56 1wcs s VAL 98 Cb -0.00 -1.33 -0.05 0.00 0.56 0.00 0.00 36.38 35.56 1wcs s VAL 98 CO 0.02 0.43 -0.04 0.68 -0.31 0.00 0.00 175.10 175.89 1wcs s VAL 99 N 1.08 0.86 -0.75 1.32 -7.23 -0.55 -4.14 120.40 110.99 1wcs s VAL 99 Ca -0.05 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.11 1wcs s VAL 99 Cb -0.15 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 1wcs s VAL 99 CO -0.03 -0.60 0.64 0.47 -0.31 0.00 0.00 175.10 175.27 1wcs n ASP 100 N -0.22 -3.19 -4.74 4.85 9.92 -1.26 -1.40 116.55 120.52 1wcs n ASP 100 Ca -0.08 -0.43 -0.42 0.00 -0.53 0.00 0.00 54.79 53.33 1wcs n ASP 100 Cb 0.62 -3.57 -0.02 0.00 -0.64 0.00 0.00 41.12 37.51 1wcs n ASP 100 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1wcs n PRO 101 N -2.90 2.75 -4.79 -0.24 -0.02 -1.26 -4.49 135.00 124.06 1wcs n PRO 101 Ca -0.14 0.98 -0.25 0.00 -2.02 0.00 0.00 63.50 62.08 1wcs n PRO 101 Cb 0.60 -2.80 -0.15 0.00 -0.02 0.00 0.00 33.50 31.13 1wcs n PRO 101 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1wcs s THR 102 N 0.44 1.48 -0.04 3.45 2.01 -0.49 -1.92 115.64 120.57 1wcs s THR 102 Ca 0.68 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.81 1wcs s THR 102 Cb -0.49 -1.25 0.00 0.00 0.01 0.00 0.00 72.50 70.77 1wcs s THR 102 CO 0.42 0.33 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.86 1wcs s VAL 103 N -0.55 1.13 -0.09 3.82 1.01 -0.01 -1.45 120.40 124.26 1wcs s VAL 103 Ca 0.07 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 1wcs s VAL 103 Cb -0.08 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.34 1wcs s VAL 103 CO 0.00 0.34 -0.03 -0.63 0.00 0.00 0.00 175.10 174.78 1wcs s ILE 104 N 0.21 0.62 -0.02 2.22 1.01 0.63 0.23 121.20 126.11 1wcs s ILE 104 Ca -0.05 -0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.35 1wcs s ILE 104 Cb -0.11 -0.73 -0.05 0.00 0.01 0.00 0.00 42.46 41.58 1wcs s ILE 104 CO 0.02 0.30 0.61 -0.69 0.00 0.00 0.00 174.94 175.18 1wcs s VAL 105 N 1.85 4.93 -0.33 2.92 1.01 -1.26 -0.22 120.40 129.31 1wcs s VAL 105 Ca 0.05 1.28 0.01 0.00 0.00 0.00 0.00 61.98 63.32 1wcs s VAL 105 Cb -0.12 -3.95 0.14 0.00 0.00 0.00 0.00 36.38 32.45 1wcs s VAL 105 CO -0.06 0.39 0.31 -0.75 0.00 0.00 0.00 175.10 174.99 1wcs s LYS 106 N -0.01 0.46 6.62 2.72 2.20 -0.97 -4.58 119.74 126.17 1wcs s LYS 106 Ca 0.32 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 1wcs s LYS 106 Cb -0.18 -0.76 0.00 0.00 -1.51 0.00 0.00 37.83 35.38 1wcs s LYS 106 CO 0.17 -1.11 0.00 0.41 -0.36 0.00 0.00 175.35 174.46 1wcs n GLY 107 N 4.79 1.19 0.46 5.54 0.00 -1.26 -2.58 105.19 113.33 1wcs n GLY 107 Ca 0.04 -0.55 0.02 0.00 0.00 0.00 0.00 46.02 45.53 1wcs n GLY 107 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wcs n ASN 108 N 6.90 1.23 -4.58 1.61 0.23 -1.26 -4.36 115.26 115.03 1wcs n ASN 108 Ca 0.00 -2.07 -0.27 0.00 -0.53 0.00 0.00 54.58 51.71 1wcs n ASN 108 Cb 0.00 -0.26 -0.09 0.00 -2.08 0.00 0.00 39.78 37.35 1wcs n ASN 108 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1wcs s LYS 109 N -1.64 2.12 -0.07 -3.83 1.02 -1.07 -0.95 119.74 115.32 1wcs s LYS 109 Ca 0.11 -1.22 0.03 0.00 0.02 0.00 0.00 55.97 54.91 1wcs s LYS 109 Cb 0.07 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 1wcs s LYS 109 CO 0.06 0.44 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.25 1wcs s LEU 110 N -2.78 1.86 -0.19 3.17 1.43 0.28 -2.29 118.68 120.15 1wcs s LEU 110 Ca 0.25 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1wcs s LEU 110 Cb -0.09 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 45.06 1wcs s LEU 110 CO 0.15 0.11 -0.08 -0.31 0.23 0.00 0.00 176.35 176.45 1wcs s TYR 111 N 0.40 2.90 -0.03 0.29 2.02 0.70 0.55 117.35 124.19 1wcs s TYR 111 Ca -0.13 -0.91 0.04 0.00 -0.37 0.00 0.00 57.07 55.70 1wcs s TYR 111 Cb -0.16 -2.01 -0.01 0.00 -0.40 0.00 0.00 41.96 39.39 1wcs s TYR 111 CO 0.05 -0.47 -0.16 0.42 -1.57 0.00 0.00 175.55 173.83 1wcs s ILE 112 N 1.11 1.31 -0.09 2.71 1.01 -0.73 -0.27 121.20 126.25 1wcs s ILE 112 Ca 0.01 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.00 1wcs s ILE 112 Cb -0.15 -1.11 0.02 0.00 0.01 0.00 0.00 42.46 41.23 1wcs s ILE 112 CO -0.02 0.38 -0.13 -0.22 0.00 0.00 0.00 174.94 174.95 1wcs s LEU 113 N -0.11 1.62 0.02 2.97 2.96 -0.53 -1.78 118.68 123.83 1wcs s LEU 113 Ca 0.00 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1wcs s LEU 113 Cb -0.09 -0.95 -0.01 0.00 0.50 0.00 0.00 46.19 45.64 1wcs s LEU 113 CO 0.01 0.01 -0.04 0.68 -1.32 0.00 0.00 176.35 175.68 1wcs s VAL 114 N 0.95 0.27 0.44 1.68 -7.23 -0.88 -1.39 120.40 114.24 1wcs s VAL 114 Ca -0.08 -0.58 -0.23 0.00 -1.81 0.00 0.00 61.98 59.28 1wcs s VAL 114 Cb -0.15 -0.32 -0.08 0.00 0.56 0.00 0.00 36.38 36.39 1wcs s VAL 114 CO -0.00 -0.20 1.09 -0.83 -0.31 0.00 0.00 175.10 174.85 1wcs s GLY 115 N -0.83 2.71 -0.10 2.32 0.00 -0.49 -1.45 107.32 109.47 1wcs s GLY 115 Ca -0.06 0.78 -0.00 0.00 0.00 0.00 0.00 44.72 45.43 1wcs s GLY 115 CO -0.00 1.20 -0.07 -0.45 0.00 0.00 0.00 173.10 173.77 1wcs s SER 116 N -1.56 2.07 0.07 1.64 0.15 0.23 -1.48 113.70 114.82 1wcs s SER 116 Ca 0.62 -0.28 0.10 0.00 0.70 0.00 0.00 55.95 57.09 1wcs s SER 116 Cb -0.24 -0.80 -0.03 0.00 -1.71 0.00 0.00 66.02 63.24 1wcs s SER 116 CO 0.29 -0.11 -0.26 -0.36 1.20 0.00 0.00 173.24 174.00 1wcs s PHE 117 N 1.63 2.34 -0.25 3.44 0.40 -0.43 -0.67 117.98 124.44 1wcs s PHE 117 Ca 0.03 -0.39 -0.15 0.00 -0.60 0.00 0.00 56.93 55.82 1wcs s PHE 117 Cb -0.13 -1.35 -0.10 0.00 0.51 0.00 0.00 43.02 41.95 1wcs s PHE 117 CO -0.07 0.21 -0.35 0.09 0.70 0.00 0.00 175.22 175.80 1wcs n ASN 118 N 1.46 1.93 0.00 1.36 3.02 -1.01 -2.05 115.26 119.96 1wcs n ASN 118 Ca -0.17 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1wcs n ASN 118 Cb 0.52 -0.78 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 1wcs n ASN 118 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1wcs n LYS 119 N -4.29 0.81 -1.63 3.52 5.02 -1.26 -3.41 118.16 116.92 1wcs n LYS 119 Ca -0.42 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.45 1wcs n LYS 119 Cb 0.77 -0.61 0.00 0.00 -0.02 0.00 0.00 35.03 35.18 1wcs n LYS 119 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1wcs n THR 120 N -0.91 2.30 0.34 -0.18 -2.24 -1.26 -4.89 114.28 107.44 1wcs n THR 120 Ca 0.00 -0.50 0.11 0.00 -2.27 0.00 0.00 64.05 61.39 1wcs n THR 120 Cb 0.11 -1.25 -0.08 0.00 -2.10 0.00 0.00 70.33 67.01 1wcs n THR 120 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wcs n ARG 121 N 0.31 0.43 -3.83 -0.78 1.74 -1.26 -4.95 116.66 108.33 1wcs n ARG 121 Ca 0.08 -0.07 -0.23 0.00 -0.77 0.00 0.00 57.85 56.86 1wcs n ARG 121 Cb 0.37 -1.58 -0.04 0.00 -1.02 0.00 0.00 32.46 30.20 1wcs n ARG 121 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wcs s ASN 122 N -4.20 4.74 0.41 0.55 4.22 -1.26 -4.79 114.94 114.61 1wcs s ASN 122 Ca -0.01 -0.98 -0.27 0.00 -2.14 0.00 0.00 52.86 49.47 1wcs s ASN 122 Cb 0.14 -0.30 -0.10 0.00 1.28 0.00 0.00 41.25 42.27 1wcs s ASN 122 CO 0.85 -0.73 1.43 -1.22 -2.04 0.00 0.00 177.10 175.40 1wcs n TYR 123 N -1.50 2.75 -0.09 1.54 4.02 -1.26 -4.85 117.16 117.77 1wcs n TYR 123 Ca 0.01 0.45 0.14 0.00 -0.01 0.00 0.00 57.90 58.49 1wcs n TYR 123 Cb 0.63 -2.48 0.53 0.00 -0.02 0.00 0.00 39.34 38.00 1wcs n TYR 123 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 176.86 175.96 1wcs h TRP 124 N 2.55 0.38 0.00 -0.72 5.08 -1.99 -1.72 115.95 119.54 1wcs h TRP 124 Ca -0.50 0.01 -0.04 0.00 1.08 0.00 0.00 58.89 59.44 1wcs h TRP 124 Cb 1.26 -0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 27.29 1wcs h TRP 124 CO 0.51 0.17 -0.18 1.79 -1.28 0.00 0.00 178.44 179.45 1wcs h THR 125 N 0.35 0.32 -0.00 0.12 1.35 -1.94 -2.86 112.91 110.24 1wcs h THR 125 Ca 0.29 -1.35 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 1wcs h THR 125 Cb 0.68 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1wcs h THR 125 CO -0.08 0.17 -0.06 0.00 -0.25 0.00 0.00 175.52 175.31 1wcs n GLN 126 N -3.16 0.56 -1.64 4.72 3.00 -0.65 -4.29 117.38 115.92 1wcs n GLN 126 Ca 0.03 -0.11 -0.49 0.00 -0.01 0.00 0.00 57.00 56.42 1wcs n GLN 126 Cb 0.57 -1.50 -0.05 0.00 0.00 0.00 0.00 30.24 29.26 1wcs n GLN 126 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1wcs n HIS 127 N -1.13 1.96 -0.26 1.08 8.25 -1.08 -4.90 115.22 119.15 1wcs n HIS 127 Ca 0.15 0.42 0.04 0.00 -0.26 0.00 0.00 57.72 58.06 1wcs n HIS 127 Cb 0.26 -2.46 0.14 0.00 1.12 0.00 0.00 29.99 29.04 1wcs n HIS 127 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1wcs h ARG 128 N 5.51 0.06 0.00 -0.41 -0.00 -1.92 -3.44 114.38 114.18 1wcs h ARG 128 Ca -0.46 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.51 1wcs h ARG 128 Cb 1.29 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.97 31.24 1wcs h ARG 128 CO 0.85 0.04 -0.00 -0.40 -0.00 0.00 0.00 179.97 180.46 1wcs n ASP 129 N -5.40 -0.00 -2.16 0.08 5.68 -1.26 -5.05 116.55 108.44 1wcs n ASP 129 Ca 0.12 -1.01 -0.24 0.00 -0.50 0.00 0.00 54.79 53.17 1wcs n ASP 129 Cb 0.45 0.01 0.15 0.00 -1.14 0.00 0.00 41.12 40.58 1wcs n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wcs n GLY 130 N -0.00 4.54 0.06 6.12 0.00 -1.25 -4.65 105.19 110.02 1wcs n GLY 130 Ca 0.00 -1.21 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 1wcs n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wcs h SER 131 N 1.11 0.01 1.29 1.61 4.64 -1.97 -3.09 113.55 117.14 1wcs h SER 131 Ca 0.58 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1wcs h SER 131 Cb 2.38 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.46 1wcs h SER 131 CO 1.10 1.01 0.00 -0.78 -0.87 0.00 0.00 176.83 177.29 1wcs h ASP 132 N 0.00 0.00 -2.98 4.97 3.58 -1.94 -3.47 116.42 116.59 1wcs h ASP 132 Ca -0.05 0.00 -0.61 0.00 0.42 0.00 0.00 57.03 56.78 1wcs h ASP 132 Cb 1.81 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.79 1wcs h ASP 132 CO 0.12 0.00 -0.57 0.86 -2.88 0.00 0.00 179.24 176.78 1wcs s TRP 133 N -3.33 3.25 -0.12 0.28 -0.00 -1.17 -2.41 118.94 115.43 1wcs s TRP 133 Ca 0.06 0.08 -0.08 0.00 -0.00 0.00 0.00 56.10 56.16 1wcs s TRP 133 Cb 0.09 -1.62 0.04 0.00 -0.00 0.00 0.00 33.47 31.99 1wcs s TRP 133 CO 0.55 0.53 0.31 -1.21 -0.00 0.00 0.00 176.95 177.12 1wcs s GLU 134 N -2.65 0.31 -0.38 5.86 2.02 0.16 -4.95 118.70 119.06 1wcs s GLU 134 Ca 0.31 0.55 -0.22 0.00 0.02 0.00 0.00 54.97 55.63 1wcs s GLU 134 Cb -0.12 0.01 0.01 0.00 0.10 0.00 0.00 34.13 34.14 1wcs s GLU 134 CO 0.24 -0.11 0.72 -1.25 0.02 0.00 0.00 175.26 174.87 1wcs s PRO 135 N 0.86 3.64 -0.16 0.39 0.04 -1.26 0.78 135.00 139.29 1wcs s PRO 135 Ca -0.06 0.10 -0.09 0.00 0.04 0.00 0.00 61.00 60.99 1wcs s PRO 135 Cb -0.07 -3.84 -0.05 0.00 0.04 0.00 0.00 34.50 30.59 1wcs s PRO 135 CO -0.06 -0.86 0.16 -0.51 0.04 0.00 0.00 177.00 175.77 1wcs s LEU 136 N 2.96 4.29 -0.10 -3.56 1.43 -0.53 -0.80 118.68 122.37 1wcs s LEU 136 Ca 0.28 0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 53.73 1wcs s LEU 136 Cb -0.14 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 1wcs s LEU 136 CO 0.17 0.26 -0.01 -0.22 0.23 0.00 0.00 176.35 176.78 1wcs s LEU 137 N -0.20 3.46 -0.02 1.79 2.96 -0.51 -2.08 118.68 124.09 1wcs s LEU 137 Ca 0.12 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 1wcs s LEU 137 Cb -0.12 -1.80 0.02 0.00 0.50 0.00 0.00 46.19 44.79 1wcs s LEU 137 CO 0.01 0.32 0.02 -0.69 -1.32 0.00 0.00 176.35 174.69 1wcs s VAL 138 N -0.51 0.00 -0.23 1.68 1.01 -0.73 -1.06 120.40 120.55 1wcs s VAL 138 Ca 0.09 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.14 1wcs s VAL 138 Cb -0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 1wcs s VAL 138 CO 0.02 0.08 0.04 -0.69 0.00 0.00 0.00 175.10 174.54 1wcs s VAL 139 N 0.77 4.13 -0.29 2.92 1.01 -1.26 -1.78 120.40 125.90 1wcs s VAL 139 Ca -0.07 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 1wcs s VAL 139 Cb -0.10 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1wcs s VAL 139 CO -0.02 0.38 0.20 -0.83 0.00 0.00 0.00 175.10 174.83 1wcs s GLY 140 N 1.37 1.94 -0.23 4.51 0.00 0.19 -0.93 107.32 114.17 1wcs s GLY 140 Ca 0.05 -1.14 -0.08 0.00 0.00 0.00 0.00 44.72 43.55 1wcs s GLY 140 CO 0.02 0.67 0.09 1.85 0.00 0.00 0.00 173.10 175.73 1wcs s GLU 141 N 1.75 3.83 -0.20 2.90 2.12 0.06 0.99 118.70 130.16 1wcs s GLU 141 Ca 0.07 -0.40 -0.08 0.00 0.36 0.00 0.00 54.97 54.92 1wcs s GLU 141 Cb -0.16 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1wcs s GLU 141 CO 0.11 -0.01 0.07 0.08 -0.54 0.00 0.00 175.26 174.97 1wcs s VAL 142 N 1.15 4.77 -0.10 3.70 1.01 -0.12 -0.54 120.40 130.27 1wcs s VAL 142 Ca 0.05 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1wcs s VAL 142 Cb -0.14 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1wcs s VAL 142 CO 0.04 0.43 -0.24 -0.89 0.00 0.00 0.00 175.10 174.44 1wcs s THR 143 N 0.59 2.04 -0.04 3.92 2.01 -0.57 -4.84 115.64 118.75 1wcs s THR 143 Ca 0.04 -1.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.00 1wcs s THR 143 Cb -0.13 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1wcs s THR 143 CO 0.01 0.56 0.12 -0.54 -0.69 0.00 0.00 174.62 174.08 1wcs s LYS 144 N 0.35 3.26 0.32 4.92 1.02 -1.26 -1.34 119.74 127.02 1wcs s LYS 144 Ca -0.19 -0.35 -0.12 0.00 0.02 0.00 0.00 55.97 55.34 1wcs s LYS 144 Cb -0.18 -3.00 0.05 0.00 -0.52 0.00 0.00 37.83 34.17 1wcs s LYS 144 CO 0.09 0.69 0.64 -1.13 -0.92 0.00 0.00 175.35 174.72 1wcs n SER 145 N 1.37 -1.86 -3.78 2.83 3.41 0.23 -5.01 113.62 110.81 1wcs n SER 145 Ca -0.14 -2.31 -0.14 0.00 -0.26 0.00 0.00 58.87 56.02 1wcs n SER 145 Cb 0.53 3.10 -0.15 0.00 -0.26 0.00 0.00 64.21 67.43 1wcs n SER 145 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wcs s ALA 146 N -1.91 -0.10 0.00 7.33 0.00 -1.26 0.79 121.76 126.61 1wcs s ALA 146 Ca 0.13 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1wcs s ALA 146 Cb -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1wcs s ALA 146 CO 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 175.76 175.75 1wcs n ALA 147 N 3.97 0.00 -2.48 0.00 0.00 0.10 -4.84 120.51 117.26 1wcs n ALA 147 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.77 1wcs n ALA 147 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1wcs n ALA 147 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wcs n ASN 148 N 0.00 5.10 0.00 0.00 2.04 -1.26 -4.44 115.26 116.69 1wcs n ASN 148 Ca 0.00 -3.07 0.00 0.00 -0.44 0.00 0.00 54.58 51.07 1wcs n ASN 148 Cb 0.00 -1.51 0.00 0.00 -2.53 0.00 0.00 39.78 35.74 1wcs n ASN 148 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1wcs n GLY 149 N 3.19 0.67 3.41 4.83 0.00 -1.26 -5.04 105.19 110.99 1wcs n GLY 149 Ca 0.39 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 1wcs n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wcs s LYS 150 N -0.41 2.01 -0.20 1.61 3.01 -1.26 -5.11 119.74 119.40 1wcs s LYS 150 Ca 0.00 -1.00 -0.24 0.00 -1.01 0.00 0.00 55.97 53.72 1wcs s LYS 150 Cb 0.00 -2.12 -0.02 0.00 -1.01 0.00 0.00 37.83 34.68 1wcs s LYS 150 CO 0.00 0.54 0.76 0.99 0.51 0.00 0.00 175.35 178.15 1wcs s THR 151 N -0.86 4.92 0.03 2.17 2.01 -1.26 0.03 115.64 122.67 1wcs s THR 151 Ca 0.13 1.47 0.05 0.00 0.31 0.00 0.00 61.69 63.65 1wcs s THR 151 Cb -0.10 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 1wcs s THR 151 CO 0.04 0.03 -0.11 0.42 -0.69 0.00 0.00 174.62 174.31 1wcs s THR 152 N 2.23 3.34 0.00 -0.82 -4.23 0.24 -4.93 115.64 111.47 1wcs s THR 152 Ca 0.34 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1wcs s THR 152 Cb -0.16 -2.45 -0.00 0.00 1.34 0.00 0.00 72.50 71.22 1wcs s THR 152 CO 0.11 0.34 -0.03 0.00 -0.54 0.00 0.00 174.62 174.49 1wcs s ALA 153 N -1.00 0.27 0.39 3.99 0.00 -1.26 -0.60 121.76 123.54 1wcs s ALA 153 Ca 0.17 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 51.99 1wcs s ALA 153 Cb -0.11 -0.05 -0.07 0.00 0.00 0.00 0.00 23.12 22.89 1wcs s ALA 153 CO 0.08 0.05 0.02 0.95 0.00 0.00 0.00 175.76 176.86 1wcs s THR 154 N -0.22 1.74 -0.16 0.00 -4.23 -0.45 -4.98 115.64 107.35 1wcs s THR 154 Ca -0.00 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 1wcs s THR 154 Cb -0.02 -2.92 0.07 0.00 1.34 0.00 0.00 72.50 70.97 1wcs s THR 154 CO -0.00 0.00 0.15 -0.63 -0.54 0.00 0.00 174.62 173.60 1wcs s ILE 155 N -2.88 -0.22 0.08 2.99 1.01 -1.26 -1.51 121.20 119.40 1wcs s ILE 155 Ca 0.35 0.00 -0.30 0.00 0.00 0.00 0.00 60.65 60.70 1wcs s ILE 155 Cb 0.09 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.99 1wcs s ILE 155 CO 0.17 -0.13 0.99 -0.44 0.00 0.00 0.00 174.94 175.53 1wcs s SER 156 N 2.25 7.42 -0.27 3.58 0.01 0.30 -4.91 113.70 122.08 1wcs s SER 156 Ca 0.04 1.79 -0.09 0.00 1.31 0.00 0.00 55.95 59.00 1wcs s SER 156 Cb -0.15 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.47 1wcs s SER 156 CO -0.09 -0.16 0.12 0.26 0.41 0.00 0.00 173.24 173.78 1wcs s TRP 157 N 0.35 3.14 0.96 2.43 0.52 -1.26 -0.76 118.94 124.32 1wcs s TRP 157 Ca 0.49 -0.27 -0.12 0.00 0.02 0.00 0.00 56.10 56.22 1wcs s TRP 157 Cb -0.23 -2.30 0.17 0.00 -1.15 0.00 0.00 33.47 29.95 1wcs s TRP 157 CO 0.30 -0.31 1.10 0.20 0.02 0.00 0.00 176.95 178.25 1wcs s GLY 158 N 1.66 1.58 0.32 0.98 0.00 -0.10 -5.01 107.32 106.74 1wcs s GLY 158 Ca 0.06 -0.31 -0.29 0.00 0.00 0.00 0.00 44.72 44.18 1wcs s GLY 158 CO 0.06 0.27 1.33 0.54 0.00 0.00 0.00 173.10 175.30 1wcs s LYS 159 N -4.99 4.33 0.79 2.90 1.02 -1.26 -4.60 119.74 117.93 1wcs s LYS 159 Ca 0.65 2.24 -0.11 0.00 0.02 0.00 0.00 55.97 58.77 1wcs s LYS 159 Cb -0.18 -3.07 0.06 0.00 -0.52 0.00 0.00 37.83 34.12 1wcs s LYS 159 CO 0.57 -0.24 1.09 -2.14 -0.92 0.00 0.00 175.35 173.71 1wcs s PRO 160 N -1.57 2.16 -0.15 -1.68 0.02 -1.26 -4.68 135.00 127.85 1wcs s PRO 160 Ca 0.51 1.04 -0.04 0.00 0.02 0.00 0.00 61.00 62.52 1wcs s PRO 160 Cb -0.40 -1.90 0.07 0.00 0.02 0.00 0.00 34.50 32.29 1wcs s PRO 160 CO 0.52 -1.67 0.26 0.08 -0.33 0.00 0.00 177.00 175.86 1wcs s VAL 161 N -2.95 -0.41 0.24 3.83 1.01 -0.23 -4.96 120.40 116.95 1wcs s VAL 161 Ca 0.61 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.48 1wcs s VAL 161 Cb -0.17 -0.50 -0.10 0.00 0.00 0.00 0.00 36.38 35.61 1wcs s VAL 161 CO 0.56 0.05 1.43 -0.55 0.00 0.00 0.00 175.10 176.58 1wcs s SER 162 N 2.41 6.68 0.00 3.32 0.15 -1.26 -1.42 113.70 123.57 1wcs s SER 162 Ca 0.03 2.64 0.22 0.00 0.70 0.00 0.00 55.95 59.54 1wcs s SER 162 Cb -0.13 -2.62 0.51 0.00 -1.71 0.00 0.00 66.02 62.07 1wcs s SER 162 CO -0.10 -0.69 1.44 0.18 1.20 0.00 0.00 173.24 175.28 1wcs n LEU 163 N 2.41 3.05 -0.22 3.45 4.77 0.02 -4.65 117.00 125.84 1wcs n LEU 163 Ca 0.07 -1.34 -0.01 0.00 -0.03 0.00 0.00 56.01 54.71 1wcs n LEU 163 Cb 0.40 -0.24 0.11 0.00 -2.33 0.00 0.00 43.42 41.36 1wcs n LEU 163 CO 0.60 0.67 1.04 0.50 -1.33 0.00 0.00 177.39 178.87 1wcs h LYS 164 N 3.88 0.52 0.00 3.23 3.64 -1.90 -0.82 116.57 125.12 1wcs h LYS 164 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1wcs h LYS 164 Cb 0.86 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1wcs h LYS 164 CO 0.00 0.34 0.00 -2.30 -2.27 0.00 0.00 179.45 175.22 1wcs n PRO 165 N -4.90 0.44 -0.37 1.90 -0.02 -1.26 -0.55 135.00 130.24 1wcs n PRO 165 Ca 0.09 0.03 0.08 0.00 -2.02 0.00 0.00 63.50 61.68 1wcs n PRO 165 Cb 0.23 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.47 1wcs n PRO 165 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1wcs n LEU 166 N -1.05 3.75 -4.48 2.45 4.77 -0.31 -4.91 117.00 117.21 1wcs n LEU 166 Ca 0.11 -2.30 -0.43 0.00 -0.03 0.00 0.00 56.01 53.35 1wcs n LEU 166 Cb 0.07 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 1wcs n LEU 166 CO 0.09 0.78 0.42 0.12 -1.33 0.00 0.00 177.39 177.47 1wcs s PHE 167 N -1.56 3.01 0.30 -1.77 5.36 0.29 -4.93 117.98 118.69 1wcs s PHE 167 Ca 0.38 -0.28 -0.30 0.00 -0.96 0.00 0.00 56.93 55.77 1wcs s PHE 167 Cb 0.24 -3.55 -0.12 0.00 -0.34 0.00 0.00 43.02 39.24 1wcs s PHE 167 CO 0.19 -1.03 1.50 -2.30 -1.46 0.00 0.00 175.22 172.13 1wcs n PRO 168 N 6.42 2.48 0.24 10.12 -0.02 -1.26 -4.85 135.00 148.12 1wcs n PRO 168 Ca -0.03 0.88 0.16 0.00 -2.02 0.00 0.00 63.50 62.49 1wcs n PRO 168 Cb 0.47 -2.60 0.74 0.00 -0.02 0.00 0.00 33.50 32.08 1wcs n PRO 168 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wcs h ALA 169 N 4.12 1.00 -2.85 3.55 0.00 -1.95 -3.42 119.26 119.70 1wcs h ALA 169 Ca -0.47 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 1wcs h ALA 169 Cb 1.25 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.79 1wcs h ALA 169 CO 0.74 0.00 -0.29 -1.83 0.00 0.00 0.00 179.25 177.87 1wcs s GLU 170 N -3.66 0.43 -0.37 0.00 1.03 -1.26 -1.75 118.70 113.11 1wcs s GLU 170 Ca 0.00 0.47 -0.05 0.00 0.03 0.00 0.00 54.97 55.42 1wcs s GLU 170 Cb 0.09 0.21 0.07 0.00 -0.80 0.00 0.00 34.13 33.71 1wcs s GLU 170 CO 0.43 -0.05 0.16 -0.06 -1.33 0.00 0.00 175.26 174.40 1wcs s PHE 171 N 0.14 3.37 -1.48 4.83 2.99 0.14 -4.62 117.98 123.34 1wcs s PHE 171 Ca -0.00 -1.81 0.00 0.00 0.00 0.00 0.00 56.93 55.11 1wcs s PHE 171 Cb -0.03 -2.71 0.00 0.00 0.00 0.00 0.00 43.02 40.29 1wcs s PHE 171 CO 0.01 -0.85 0.00 -3.47 -0.00 0.00 0.00 175.22 170.91 1wcs n ASP 172 N 4.75 -4.63 -0.39 1.36 -0.08 -1.26 -1.95 116.55 114.35 1wcs n ASP 172 Ca -0.09 0.34 0.00 0.00 -1.51 0.00 0.00 54.79 53.53 1wcs n ASP 172 Cb 0.43 -3.89 0.00 0.00 2.34 0.00 0.00 41.12 40.00 1wcs n ASP 172 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wcs n GLY 173 N -0.10 0.57 2.81 0.27 0.00 -1.26 -5.11 105.19 102.37 1wcs n GLY 173 Ca -0.14 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 1wcs n GLY 173 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wcs s ILE 174 N -1.84 -0.43 -0.29 -0.61 1.01 -0.82 -5.12 121.20 113.11 1wcs s ILE 174 Ca 0.00 -0.10 -0.28 0.00 0.00 0.00 0.00 60.65 60.27 1wcs s ILE 174 Cb 0.00 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 1wcs s ILE 174 CO 0.00 -0.18 1.94 -0.76 0.00 0.00 0.00 174.94 175.94 1wcs s LEU 175 N 2.41 3.49 0.71 2.97 1.43 -1.26 0.23 118.68 128.66 1wcs s LEU 175 Ca 0.09 1.52 -0.12 0.00 -1.03 0.00 0.00 54.13 54.59 1wcs s LEU 175 Cb -0.16 -3.52 0.02 0.00 0.03 0.00 0.00 46.19 42.57 1wcs s LEU 175 CO -0.13 -1.78 1.09 0.42 0.23 0.00 0.00 176.35 176.17 1wcs s THR 176 N 7.32 3.48 0.00 5.49 -4.23 -0.72 -1.12 115.64 125.86 1wcs s THR 176 Ca 0.87 0.56 0.00 0.00 -1.18 0.00 0.00 61.69 61.93 1wcs s THR 176 Cb -0.26 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.48 1wcs s THR 176 CO 0.34 -0.55 0.00 1.17 -0.54 0.00 0.00 174.62 175.04 1wcs n LYS 177 N -3.00 0.00 -3.61 3.99 4.81 -0.73 -4.54 118.16 115.08 1wcs n LYS 177 Ca 0.09 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.48 1wcs n LYS 177 Cb 0.53 -0.90 -0.04 0.00 0.02 0.00 0.00 35.03 34.64 1wcs n LYS 177 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1wcs s GLU 178 N -1.82 0.28 0.07 1.64 2.02 -1.17 -3.75 118.70 115.97 1wcs s GLU 178 Ca 0.00 0.02 -0.11 0.00 0.02 0.00 0.00 54.97 54.90 1wcs s GLU 178 Cb 0.00 0.13 0.01 0.00 0.10 0.00 0.00 34.13 34.37 1wcs s GLU 178 CO 0.00 -0.10 0.24 -0.59 0.02 0.00 0.00 175.26 174.84 1wcs s PHE 179 N -1.40 0.02 0.02 1.61 -0.12 -1.26 -1.66 117.98 115.19 1wcs s PHE 179 Ca 0.06 -0.30 -0.04 0.00 -0.05 0.00 0.00 56.93 56.59 1wcs s PHE 179 Cb -0.01 0.02 -0.01 0.00 -0.63 0.00 0.00 43.02 42.39 1wcs s PHE 179 CO -0.04 -0.52 0.07 0.08 -0.05 0.00 0.00 175.22 174.76 1wcs s VAL 180 N -3.14 0.11 1.28 -2.49 1.01 -0.72 -4.75 120.40 111.70 1wcs s VAL 180 Ca -0.01 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 60.87 1wcs s VAL 180 Cb 0.01 -0.56 0.29 0.00 0.00 0.00 0.00 36.38 36.12 1wcs s VAL 180 CO -0.07 -0.50 0.71 0.61 0.00 0.00 0.00 175.10 175.84 1wcs n GLY 181 N 1.23 -3.00 0.98 4.51 0.00 -1.26 0.21 105.19 107.86 1wcs n GLY 181 Ca -0.22 -1.30 0.12 0.00 0.00 0.00 0.00 46.02 44.62 1wcs n GLY 181 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wcs n GLY 182 N 1.77 1.23 0.00 -0.02 0.00 -0.19 -4.19 105.19 103.78 1wcs n GLY 182 Ca 0.07 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1wcs n GLY 182 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wcs n VAL 183 N 1.19 -0.89 -3.23 1.61 0.31 -1.26 -3.84 118.33 112.23 1wcs n VAL 183 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 1wcs n VAL 183 Cb 0.55 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 1wcs n VAL 183 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wcs n GLY 184 N -0.41 -0.78 3.81 2.92 0.00 -0.81 -4.89 105.19 105.04 1wcs n GLY 184 Ca 0.00 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 1wcs n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wcs s ALA 185 N -1.19 3.70 0.00 4.61 0.00 -1.26 -0.83 121.76 126.78 1wcs s ALA 185 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1wcs s ALA 185 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.81 1wcs s ALA 185 CO 0.00 0.38 0.00 0.00 0.00 0.00 0.00 175.76 176.14 1wcs n ALA 186 N 2.41 0.00 -2.71 0.00 0.00 0.14 -4.58 120.51 115.76 1wcs n ALA 186 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.20 1wcs n ALA 186 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 1wcs n ALA 186 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1wcs s ILE 187 N 2.26 0.09 -0.23 0.00 -4.36 -1.25 -4.76 121.20 112.95 1wcs s ILE 187 Ca 0.00 -1.24 -0.10 0.00 -0.26 0.00 0.00 60.65 59.05 1wcs s ILE 187 Cb 0.00 -1.63 -0.05 0.00 1.25 0.00 0.00 42.46 42.03 1wcs s ILE 187 CO 0.00 -0.40 0.14 -0.69 0.24 0.00 0.00 174.94 174.23 1wcs s VAL 188 N -3.92 5.23 0.88 8.37 1.01 -1.26 -2.13 120.40 128.58 1wcs s VAL 188 Ca 0.12 0.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 1wcs s VAL 188 Cb 0.03 -3.42 0.12 0.00 0.00 0.00 0.00 36.38 33.11 1wcs s VAL 188 CO -0.04 0.38 1.16 0.00 0.00 0.00 0.00 175.10 176.59 1wcs s ALA 189 N 0.87 2.11 0.24 5.51 0.00 0.93 -4.89 121.76 126.53 1wcs s ALA 189 Ca 0.07 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.37 1wcs s ALA 189 Cb -0.13 -2.99 0.45 0.00 0.00 0.00 0.00 23.12 20.44 1wcs s ALA 189 CO 0.03 -2.08 1.72 0.66 0.00 0.00 0.00 175.76 176.08 1wcs h SER 190 N -1.35 0.19 -0.03 0.00 4.64 -1.97 0.28 113.55 115.31 1wcs h SER 190 Ca -0.48 0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 1wcs h SER 190 Cb 1.33 0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1wcs h SER 190 CO 0.62 0.06 0.01 -0.46 -0.87 0.00 0.00 176.83 176.19 1wcs n ASN 191 N -5.05 1.81 -1.24 4.97 6.94 -1.26 -4.82 115.26 116.62 1wcs n ASN 191 Ca 0.14 -2.05 -0.16 0.00 -0.02 0.00 0.00 54.58 52.49 1wcs n ASN 191 Cb 0.42 -0.51 -0.06 0.00 -2.36 0.00 0.00 39.78 37.27 1wcs n ASN 191 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1wcs n GLY 192 N 0.16 1.42 3.72 4.83 0.00 0.09 -4.97 105.19 110.45 1wcs n GLY 192 Ca 0.02 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1wcs n GLY 192 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wcs s ASN 193 N -2.79 7.22 -0.26 1.61 -0.87 -1.24 -4.79 114.94 113.81 1wcs s ASN 193 Ca 0.00 1.46 -0.29 0.00 -1.57 0.00 0.00 52.86 52.46 1wcs s ASN 193 Cb 0.00 -2.50 -0.00 0.00 -0.02 0.00 0.00 41.25 38.73 1wcs s ASN 193 CO 0.00 -0.13 1.28 -0.76 -2.57 0.00 0.00 177.10 174.92 1wcs s LEU 194 N 0.61 3.96 -0.34 0.60 1.43 -0.02 -0.05 118.68 124.88 1wcs s LEU 194 Ca 0.44 1.33 0.03 0.00 -1.03 0.00 0.00 54.13 54.90 1wcs s LEU 194 Cb -0.20 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.58 1wcs s LEU 194 CO 0.24 -0.99 0.07 -0.69 0.23 0.00 0.00 176.35 175.21 1wcs s VAL 195 N 4.12 1.94 0.02 -1.59 1.01 -0.90 -0.40 120.40 124.61 1wcs s VAL 195 Ca 0.55 -2.16 -0.17 0.00 0.00 0.00 0.00 61.98 60.20 1wcs s VAL 195 Cb -0.18 -2.44 -0.06 0.00 0.00 0.00 0.00 36.38 33.70 1wcs s VAL 195 CO 0.20 -0.63 0.49 -0.31 0.00 0.00 0.00 175.10 174.85 1wcs s TYR 196 N 1.02 3.75 -0.16 5.22 4.12 0.21 -3.74 117.35 127.76 1wcs s TYR 196 Ca 0.11 1.12 -0.27 0.00 0.02 0.00 0.00 57.07 58.04 1wcs s TYR 196 Cb -0.19 -2.41 -0.01 0.00 -1.52 0.00 0.00 41.96 37.84 1wcs s TYR 196 CO -0.12 0.58 0.93 -1.25 0.02 0.00 0.00 175.55 175.72 1wcs s PRO 197 N -0.95 4.33 0.19 -1.71 0.04 -1.26 -0.94 135.00 134.69 1wcs s PRO 197 Ca 0.26 1.21 0.05 0.00 0.04 0.00 0.00 61.00 62.56 1wcs s PRO 197 Cb -0.18 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 1wcs s PRO 197 CO 0.16 -0.39 0.19 0.14 0.04 0.00 0.00 177.00 177.13 1wcs s VAL 198 N 2.35 4.66 -0.14 -0.36 -7.23 -0.78 -1.03 120.40 117.87 1wcs s VAL 198 Ca 0.43 -1.09 -0.02 0.00 -1.81 0.00 0.00 61.98 59.49 1wcs s VAL 198 Cb -0.17 -3.42 -0.02 0.00 0.56 0.00 0.00 36.38 33.33 1wcs s VAL 198 CO 0.13 -0.17 -0.09 0.00 -0.31 0.00 0.00 175.10 174.66 1wcs s GLN 199 N -3.35 3.52 -0.11 4.82 -2.07 0.13 -2.03 119.66 120.58 1wcs s GLN 199 Ca 0.32 -0.61 0.04 0.00 -1.82 0.00 0.00 55.36 53.29 1wcs s GLN 199 Cb -0.10 -2.76 -0.00 0.00 -1.09 0.00 0.00 33.01 29.06 1wcs s GLN 199 CO 0.25 0.23 -0.23 0.42 -1.32 0.00 0.00 175.29 174.64 1wcs s ILE 200 N 0.35 2.13 -0.23 3.63 1.01 0.47 -1.76 121.20 126.81 1wcs s ILE 200 Ca -0.08 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.56 1wcs s ILE 200 Cb -0.15 -1.82 0.01 0.00 0.01 0.00 0.00 42.46 40.51 1wcs s ILE 200 CO 0.04 0.56 -0.07 0.00 0.00 0.00 0.00 174.94 175.47 1wcs s ALA 201 N 0.39 2.71 1.00 9.38 0.00 -0.66 -1.68 121.76 132.90 1wcs s ALA 201 Ca -0.17 -1.30 -0.12 0.00 0.00 0.00 0.00 51.96 50.37 1wcs s ALA 201 Cb -0.18 -1.64 0.16 0.00 0.00 0.00 0.00 23.12 21.46 1wcs s ALA 201 CO 0.08 -0.59 0.94 -0.40 0.00 0.00 0.00 175.76 175.79 1wcs n ASP 202 N 4.73 0.04 -0.26 0.00 5.68 -0.98 -1.78 116.55 123.99 1wcs n ASP 202 Ca -0.18 -1.34 -0.06 0.00 -0.50 0.00 0.00 54.79 52.71 1wcs n ASP 202 Cb 0.49 -0.72 0.05 0.00 -1.14 0.00 0.00 41.12 39.80 1wcs n ASP 202 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1wcs h MET 203 N 0.00 1.05 0.00 0.11 2.86 -1.36 -2.24 114.93 115.35 1wcs h MET 203 Ca -0.31 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 1wcs h MET 203 Cb 0.84 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1wcs h MET 203 CO 0.22 0.86 0.00 0.41 1.06 0.00 0.00 176.91 179.45 1wcs n GLY 204 N -0.87 -0.69 1.30 8.32 0.00 -1.26 -4.87 105.19 107.12 1wcs n GLY 204 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1wcs n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wcs n GLY 205 N -0.46 1.16 3.70 -0.02 0.00 -0.84 -5.05 105.19 103.68 1wcs n GLY 205 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1wcs n GLY 205 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wcs s ARG 206 N -0.57 1.28 -0.01 1.61 0.52 -1.26 -4.81 118.95 115.71 1wcs s ARG 206 Ca 0.00 1.07 0.01 0.00 -0.52 0.00 0.00 55.73 56.29 1wcs s ARG 206 Cb 0.00 -1.79 0.00 0.00 0.52 0.00 0.00 34.95 33.68 1wcs s ARG 206 CO 0.00 -2.30 -0.05 0.08 0.02 0.00 0.00 175.30 173.06 1wcs s VAL 207 N -2.82 0.40 0.16 3.52 1.01 -1.26 -2.31 120.40 119.10 1wcs s VAL 207 Ca 0.64 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 62.28 1wcs s VAL 207 Cb -0.19 -0.36 0.02 0.00 0.00 0.00 0.00 36.38 35.85 1wcs s VAL 207 CO 0.58 0.13 0.43 0.72 0.00 0.00 0.00 175.10 176.95 1wcs s PHE 208 N 0.07 -0.06 0.34 5.22 -0.12 -0.67 0.31 117.98 123.05 1wcs s PHE 208 Ca -0.00 -0.28 0.07 0.00 -0.05 0.00 0.00 56.93 56.67 1wcs s PHE 208 Cb -0.04 0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 42.58 1wcs s PHE 208 CO -0.00 -0.79 0.31 0.95 -0.05 0.00 0.00 175.22 175.64 1wcs s THR 209 N -3.86 3.58 0.32 -4.49 -4.23 -1.26 -0.39 115.64 105.30 1wcs s THR 209 Ca 0.08 -1.33 -0.15 0.00 -1.18 0.00 0.00 61.69 59.12 1wcs s THR 209 Cb 0.01 -3.21 0.02 0.00 1.34 0.00 0.00 72.50 70.67 1wcs s THR 209 CO -0.06 -0.17 0.65 -0.54 -0.54 0.00 0.00 174.62 173.96 1wcs s LYS 210 N -4.02 1.91 -0.23 3.99 1.02 -0.86 -3.06 119.74 118.49 1wcs s LYS 210 Ca 0.41 -1.32 -0.05 0.00 0.02 0.00 0.00 55.97 55.04 1wcs s LYS 210 Cb -0.06 0.56 -0.01 0.00 -0.52 0.00 0.00 37.83 37.80 1wcs s LYS 210 CO 0.27 -0.86 -0.01 0.42 -0.92 0.00 0.00 175.35 174.25 1wcs s ILE 211 N -3.26 3.55 -0.17 2.17 -1.09 -1.26 -1.86 121.20 119.27 1wcs s ILE 211 Ca 0.18 -0.49 -0.07 0.00 -2.23 0.00 0.00 60.65 58.03 1wcs s ILE 211 Cb -0.04 -2.65 -0.04 0.00 -1.58 0.00 0.00 42.46 38.15 1wcs s ILE 211 CO 0.11 0.36 0.08 -0.32 -1.23 0.00 0.00 174.94 173.94 1wcs s MET 212 N 1.49 3.88 -0.02 2.79 1.75 -0.11 0.23 119.30 129.32 1wcs s MET 212 Ca 0.05 -0.30 -0.04 0.00 -1.25 0.00 0.00 55.69 54.15 1wcs s MET 212 Cb -0.15 -3.22 0.00 0.00 2.84 0.00 0.00 34.83 34.30 1wcs s MET 212 CO -0.02 0.37 0.10 1.52 -0.65 0.00 0.00 175.02 176.35 1wcs s TYR 213 N 0.10 -0.01 0.00 4.11 1.13 -0.78 0.64 117.35 122.54 1wcs s TYR 213 Ca 0.06 0.03 0.07 0.00 -1.41 0.00 0.00 57.07 55.83 1wcs s TYR 213 Cb -0.12 -0.02 -0.03 0.00 -1.10 0.00 0.00 41.96 40.69 1wcs s TYR 213 CO 0.00 -0.16 -0.22 0.45 -2.51 0.00 0.00 175.55 173.11 1wcs s SER 214 N -0.66 3.41 0.07 -0.18 0.15 0.47 -2.21 113.70 114.75 1wcs s SER 214 Ca -0.07 -0.44 0.18 0.00 0.70 0.00 0.00 55.95 56.31 1wcs s SER 214 Cb -0.05 -0.47 -0.13 0.00 -1.71 0.00 0.00 66.02 63.67 1wcs s SER 214 CO 0.00 0.30 0.81 -0.62 1.20 0.00 0.00 173.24 174.93 1wcs n GLU 215 N 2.06 0.62 -0.56 5.44 1.02 -1.26 -0.84 120.64 127.13 1wcs n GLU 215 Ca -0.16 0.17 0.03 0.00 -0.02 0.00 0.00 57.16 57.18 1wcs n GLU 215 Cb 0.52 -1.78 0.22 0.00 -0.02 0.00 0.00 31.44 30.37 1wcs n GLU 215 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1wcs n ASP 216 N -2.81 3.00 -2.52 1.62 3.85 -1.26 -4.85 116.55 113.58 1wcs n ASP 216 Ca -0.09 -3.39 -0.05 0.00 -0.71 0.00 0.00 54.79 50.56 1wcs n ASP 216 Cb 0.78 -0.57 0.01 0.00 -1.35 0.00 0.00 41.12 39.99 1wcs n ASP 216 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1wcs n ASP 217 N -0.92 -6.58 0.00 -1.12 10.43 -1.26 -3.61 116.55 113.49 1wcs n ASP 217 Ca 0.26 0.53 0.00 0.00 2.57 0.00 0.00 54.79 58.15 1wcs n ASP 217 Cb 0.92 -4.37 0.00 0.00 1.84 0.00 0.00 41.12 39.51 1wcs n ASP 217 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1wcs n GLY 218 N -0.20 0.18 0.00 0.44 0.00 -1.26 -4.74 105.19 99.62 1wcs n GLY 218 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1wcs n GLY 218 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wcs n ASN 219 N 0.06 0.00 -4.73 1.61 2.85 -1.24 -4.68 115.26 109.13 1wcs n ASN 219 Ca 0.00 0.55 -0.27 0.00 -0.11 0.00 0.00 54.58 54.76 1wcs n ASN 219 Cb 0.00 -0.15 -0.08 0.00 1.24 0.00 0.00 39.78 40.80 1wcs n ASN 219 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1wcs s THR 220 N -1.72 2.01 -0.00 -0.44 -4.23 -1.26 -5.11 115.64 104.88 1wcs s THR 220 Ca 0.00 -1.80 -0.03 0.00 -1.18 0.00 0.00 61.69 58.69 1wcs s THR 220 Cb 0.00 -2.81 -0.00 0.00 1.34 0.00 0.00 72.50 71.03 1wcs s THR 220 CO 0.00 0.00 0.05 0.26 -0.54 0.00 0.00 174.62 174.39 1wcs s TRP 221 N -2.68 0.06 -0.01 3.99 0.52 -1.26 -4.55 118.94 115.02 1wcs s TRP 221 Ca 0.34 -0.13 0.04 0.00 0.02 0.00 0.00 56.10 56.38 1wcs s TRP 221 Cb 0.05 -0.06 -0.01 0.00 -1.15 0.00 0.00 33.47 32.29 1wcs s TRP 221 CO 0.19 -0.14 -0.14 0.15 0.02 0.00 0.00 176.95 177.02 1wcs s LYS 222 N -0.77 1.13 -0.27 4.98 1.02 -0.94 -5.01 119.74 119.88 1wcs s LYS 222 Ca -0.09 -0.52 -0.18 0.00 0.02 0.00 0.00 55.97 55.20 1wcs s LYS 222 Cb -0.05 -1.10 -0.03 0.00 -0.52 0.00 0.00 37.83 36.14 1wcs s LYS 222 CO 0.00 0.30 0.50 -0.06 -0.92 0.00 0.00 175.35 175.17 1wcs s PHE 223 N -0.37 3.25 0.66 3.18 0.40 -1.26 -1.86 117.98 121.98 1wcs s PHE 223 Ca 0.05 0.56 -0.16 0.00 -0.60 0.00 0.00 56.93 56.79 1wcs s PHE 223 Cb -0.06 -2.74 0.00 0.00 0.51 0.00 0.00 43.02 40.74 1wcs s PHE 223 CO -0.00 -0.31 1.16 0.00 0.70 0.00 0.00 175.22 176.76 1wcs s ALA 224 N 2.30 2.39 0.21 5.36 0.00 0.14 -4.94 121.76 127.22 1wcs s ALA 224 Ca 0.20 0.75 0.04 0.00 0.00 0.00 0.00 51.96 52.96 1wcs s ALA 224 Cb -0.16 -3.39 0.16 0.00 0.00 0.00 0.00 23.12 19.73 1wcs s ALA 224 CO 0.10 -1.41 1.50 0.93 0.00 0.00 0.00 175.76 176.88 1wcs h GLU 225 N 0.17 0.20 -7.21 0.00 5.08 -1.68 -3.42 114.58 107.73 1wcs h GLU 225 Ca -0.48 -0.17 -0.48 0.00 -1.00 0.00 0.00 59.36 57.24 1wcs h GLU 225 Cb 1.27 0.04 0.03 0.00 0.50 0.00 0.00 28.75 30.58 1wcs h GLU 225 CO 0.53 0.83 0.38 0.20 -1.00 0.00 0.00 179.01 179.94 1wcs s GLY 226 N -4.41 2.04 0.11 -3.84 0.00 0.17 -4.92 107.32 96.47 1wcs s GLY 226 Ca -0.03 0.20 -0.00 0.00 0.00 0.00 0.00 44.72 44.88 1wcs s GLY 226 CO 0.81 0.48 0.14 -0.96 0.00 0.00 0.00 173.10 173.56 1wcs n ARG 227 N -1.75 0.20 -3.34 2.90 1.85 -1.26 -4.47 116.66 110.78 1wcs n ARG 227 Ca 0.07 -0.89 -0.22 0.00 -1.00 0.00 0.00 57.85 55.81 1wcs n ARG 227 Cb 0.54 0.84 0.03 0.00 -1.05 0.00 0.00 32.46 32.81 1wcs n ARG 227 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1wcs s SER 228 N -1.68 5.00 0.55 2.89 1.04 -1.17 -4.76 113.70 115.56 1wcs s SER 228 Ca 0.10 -0.92 -0.19 0.00 0.48 0.00 0.00 55.95 55.41 1wcs s SER 228 Cb -0.00 0.17 -0.05 0.00 0.10 0.00 0.00 66.02 66.23 1wcs s SER 228 CO 0.07 -1.15 1.15 -0.54 0.98 0.00 0.00 173.24 173.74 1wcs s LYS 229 N -4.47 3.30 0.64 4.02 1.02 -1.26 -4.73 119.74 118.25 1wcs s LYS 229 Ca 0.51 1.66 -0.17 0.00 0.02 0.00 0.00 55.97 57.99 1wcs s LYS 229 Cb -0.05 -2.00 -0.05 0.00 -0.52 0.00 0.00 37.83 35.21 1wcs s LYS 229 CO 0.32 -0.91 0.75 1.19 -0.92 0.00 0.00 175.35 175.78 1wcs n PHE 230 N -1.33 0.02 -0.06 3.18 3.01 -1.26 -3.40 117.46 117.63 1wcs n PHE 230 Ca 0.12 0.41 0.00 0.00 1.01 0.00 0.00 57.45 58.99 1wcs n PHE 230 Cb 0.51 -2.03 0.00 0.00 -0.01 0.00 0.00 39.48 37.95 1wcs n PHE 230 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wcs n GLY 231 N 1.48 0.44 3.78 1.37 0.00 0.15 -4.98 105.19 107.43 1wcs n GLY 231 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1wcs n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wcs s SER 233 N -0.78 0.58 -0.68 0.00 1.04 0.74 -3.64 113.70 110.95 1wcs s SER 233 Ca 0.32 -1.33 -0.19 0.00 0.48 0.00 0.00 55.95 55.23 1wcs s SER 233 Cb -0.20 0.66 0.03 0.00 0.10 0.00 0.00 66.02 66.60 1wcs s SER 233 CO 0.21 -1.29 0.38 -0.62 0.98 0.00 0.00 173.24 172.91 1wcs n GLU 234 N -0.51 -0.58 -2.60 4.02 1.02 -1.26 -0.68 120.64 120.05 1wcs n GLU 234 Ca -0.01 -0.17 -0.38 0.00 -0.02 0.00 0.00 57.16 56.59 1wcs n GLU 234 Cb 0.62 -0.98 -0.05 0.00 -0.02 0.00 0.00 31.44 31.01 1wcs n GLU 234 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1wcs s PRO 235 N -6.30 4.42 0.11 3.49 0.04 -1.25 -3.51 135.00 132.01 1wcs s PRO 235 Ca 0.27 1.53 0.08 0.00 0.04 0.00 0.00 61.00 62.92 1wcs s PRO 235 Cb -0.15 -2.80 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 1wcs s PRO 235 CO 0.55 0.09 -0.14 0.00 0.04 0.00 0.00 177.00 177.54 1wcs s ALA 236 N -1.50 2.81 0.01 8.56 0.00 0.59 -4.47 121.76 127.77 1wcs s ALA 236 Ca 0.52 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 51.21 1wcs s ALA 236 Cb -0.24 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 1wcs s ALA 236 CO 0.30 0.62 -0.08 0.54 0.00 0.00 0.00 175.76 177.14 1wcs s VAL 237 N -1.17 0.62 -0.05 0.00 0.11 -1.26 -1.60 120.40 117.06 1wcs s VAL 237 Ca 0.19 -0.53 -0.09 0.00 -2.93 0.00 0.00 61.98 58.63 1wcs s VAL 237 Cb -0.11 -0.56 0.02 0.00 -1.53 0.00 0.00 36.38 34.20 1wcs s VAL 237 CO 0.12 0.04 0.21 -1.48 -3.33 0.00 0.00 175.10 170.66 1wcs s LEU 238 N -0.54 1.22 -0.04 2.54 0.05 -1.20 -4.51 118.68 116.19 1wcs s LEU 238 Ca 0.00 0.21 -0.18 0.00 0.05 0.00 0.00 54.13 54.21 1wcs s LEU 238 Cb -0.05 0.82 -0.05 0.00 -2.05 0.00 0.00 46.19 44.86 1wcs s LEU 238 CO 0.00 -0.22 0.49 -0.70 -0.55 0.00 0.00 176.35 175.37 1wcs s GLU 239 N -0.53 4.21 -0.18 1.48 2.12 -1.26 -1.84 118.70 122.70 1wcs s GLU 239 Ca -0.06 0.53 -0.07 0.00 0.36 0.00 0.00 54.97 55.72 1wcs s GLU 239 Cb -0.04 -3.34 0.08 0.00 0.26 0.00 0.00 34.13 31.09 1wcs s GLU 239 CO 0.01 0.39 0.39 -0.46 -0.54 0.00 0.00 175.26 175.06 1wcs s TRP 240 N -0.18 -0.69 -0.63 5.30 -0.11 -0.21 -4.91 118.94 117.51 1wcs s TRP 240 Ca 0.27 1.38 -0.05 0.00 1.22 0.00 0.00 56.10 58.92 1wcs s TRP 240 Cb -0.17 0.24 0.01 0.00 -1.50 0.00 0.00 33.47 32.05 1wcs s TRP 240 CO 0.13 -0.43 0.49 0.39 -4.62 0.00 0.00 176.95 172.92 1wcs n GLU 241 N 5.13 -1.30 0.00 5.86 1.02 -1.26 -1.30 120.64 128.80 1wcs n GLU 241 Ca -0.11 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 1wcs n GLU 241 Cb 0.51 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1wcs n GLU 241 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wcs n GLY 242 N -1.24 1.63 3.95 0.62 0.00 -1.26 -4.96 105.19 103.93 1wcs n GLY 242 Ca -0.24 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 1wcs n GLY 242 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wcs s LYS 243 N 0.00 3.22 0.13 1.61 1.02 -0.42 -4.83 119.74 120.47 1wcs s LYS 243 Ca 0.00 -0.51 -0.13 0.00 0.02 0.00 0.00 55.97 55.35 1wcs s LYS 243 Cb 0.00 -2.64 -0.07 0.00 -0.52 0.00 0.00 37.83 34.61 1wcs s LYS 243 CO 0.00 -0.07 0.50 -0.51 -0.92 0.00 0.00 175.35 174.35 1wcs s LEU 244 N -4.41 4.33 -0.18 3.17 1.43 -0.71 -1.04 118.68 121.27 1wcs s LEU 244 Ca 0.45 0.97 -0.01 0.00 -1.03 0.00 0.00 54.13 54.51 1wcs s LEU 244 Cb -0.10 -3.19 -0.00 0.00 0.03 0.00 0.00 46.19 42.93 1wcs s LEU 244 CO 0.36 0.12 -0.12 -0.63 0.23 0.00 0.00 176.35 176.31 1wcs s ILE 245 N -1.46 2.83 -0.38 -0.59 1.01 -0.77 -1.03 121.20 120.82 1wcs s ILE 245 Ca 0.37 -0.69 -0.05 0.00 0.00 0.00 0.00 60.65 60.28 1wcs s ILE 245 Cb -0.14 -2.23 0.08 0.00 0.01 0.00 0.00 42.46 40.17 1wcs s ILE 245 CO 0.19 0.49 0.16 -0.63 0.00 0.00 0.00 174.94 175.15 1wcs s ILE 246 N 1.13 3.50 -0.47 2.92 1.01 0.89 -3.24 121.20 126.94 1wcs s ILE 246 Ca 0.01 -1.66 -0.21 0.00 0.00 0.00 0.00 60.65 58.79 1wcs s ILE 246 Cb -0.14 -3.21 0.04 0.00 0.01 0.00 0.00 42.46 39.15 1wcs s ILE 246 CO -0.04 -0.47 0.67 0.21 0.00 0.00 0.00 174.94 175.31 1wcs s ASN 247 N 1.74 6.29 0.10 3.58 3.84 -0.63 -1.86 114.94 128.00 1wcs s ASN 247 Ca 0.03 -0.51 -0.13 0.00 0.21 0.00 0.00 52.86 52.45 1wcs s ASN 247 Cb -0.22 -2.32 -0.06 0.00 -0.55 0.00 0.00 41.25 38.10 1wcs s ASN 247 CO -0.01 -0.86 0.48 0.20 -2.79 0.00 0.00 177.10 174.12 1wcs s ASN 248 N 2.29 6.77 0.23 -4.21 0.01 -1.00 -0.30 114.94 118.74 1wcs s ASN 248 Ca 0.21 0.97 -0.30 0.00 -0.71 0.00 0.00 52.86 53.03 1wcs s ASN 248 Cb -0.15 -2.25 -0.09 0.00 0.41 0.00 0.00 41.25 39.17 1wcs s ASN 248 CO 0.17 0.17 1.24 -0.60 -1.51 0.00 0.00 177.10 176.57 1wcs s ARG 249 N -1.76 4.46 -0.27 -0.60 3.52 0.14 -4.42 118.95 120.03 1wcs s ARG 249 Ca 0.33 1.98 -0.04 0.00 -0.13 0.00 0.00 55.73 57.88 1wcs s ARG 249 Cb -0.15 -3.18 0.09 0.00 -1.56 0.00 0.00 34.95 30.15 1wcs s ARG 249 CO 0.18 -0.10 0.12 0.08 -0.81 0.00 0.00 175.30 174.76 1wcs s VAL 250 N -0.41 0.04 0.13 7.11 1.01 -1.26 -0.19 120.40 126.83 1wcs s VAL 250 Ca 0.52 -0.70 -0.35 0.00 0.00 0.00 0.00 61.98 61.44 1wcs s VAL 250 Cb -0.35 -0.97 -0.15 0.00 0.00 0.00 0.00 36.38 34.90 1wcs s VAL 250 CO 0.41 -0.62 1.45 0.47 0.00 0.00 0.00 175.10 176.80 1wcs n ASP 251 N 5.21 2.34 -2.31 3.32 10.43 -1.26 -2.92 116.55 131.36 1wcs n ASP 251 Ca -0.06 1.10 -0.16 0.00 2.57 0.00 0.00 54.79 58.25 1wcs n ASP 251 Cb 0.43 -1.31 -0.01 0.00 1.84 0.00 0.00 41.12 42.07 1wcs n ASP 251 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1wcs n TYR 252 N 2.88 -1.12 -3.36 1.24 4.02 -0.60 -4.88 117.16 115.34 1wcs n TYR 252 Ca 0.17 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 58.04 1wcs n TYR 252 Cb 0.24 -3.23 0.01 0.00 -0.02 0.00 0.00 39.34 36.34 1wcs n TYR 252 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1wcs n ASN 253 N -1.77 -0.74 -4.88 7.72 4.05 -1.11 -4.60 115.26 113.93 1wcs n ASN 253 Ca -0.19 -1.49 -0.30 0.00 0.45 0.00 0.00 54.58 53.05 1wcs n ASN 253 Cb 0.63 1.23 0.03 0.00 1.23 0.00 0.00 39.78 42.90 1wcs n ASN 253 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1wcs s ARG 254 N -2.03 3.12 -0.69 1.20 0.52 -1.26 -4.20 118.95 115.61 1wcs s ARG 254 Ca 0.06 0.55 -0.25 0.00 -0.52 0.00 0.00 55.73 55.57 1wcs s ARG 254 Cb -0.02 -2.05 0.05 0.00 0.52 0.00 0.00 34.95 33.45 1wcs s ARG 254 CO 0.03 -0.86 1.13 1.03 0.02 0.00 0.00 175.30 176.65 1wcs s ARG 255 N -5.29 3.18 0.29 3.54 0.52 0.16 -4.69 118.95 116.67 1wcs s ARG 255 Ca 0.57 -0.47 -0.30 0.00 -0.52 0.00 0.00 55.73 55.01 1wcs s ARG 255 Cb -0.11 -4.19 -0.11 0.00 0.52 0.00 0.00 34.95 31.06 1wcs s ARG 255 CO 0.52 -1.96 1.59 -0.51 0.02 0.00 0.00 175.30 174.97 1wcs s LEU 256 N 4.91 4.34 -0.07 2.53 1.43 -1.26 -1.67 118.68 128.89 1wcs s LEU 256 Ca 0.30 2.95 0.02 0.00 -1.03 0.00 0.00 54.13 56.37 1wcs s LEU 256 Cb -0.12 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.48 1wcs s LEU 256 CO 0.14 -0.91 -0.13 -0.69 0.23 0.00 0.00 176.35 174.98 1wcs s VAL 257 N -0.03 1.23 0.10 -1.59 1.01 -1.26 -2.36 120.40 117.50 1wcs s VAL 257 Ca 0.63 -0.53 0.10 0.00 0.00 0.00 0.00 61.98 62.18 1wcs s VAL 257 Cb -0.48 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1wcs s VAL 257 CO 0.48 0.38 -0.25 -0.31 0.00 0.00 0.00 175.10 175.40 1wcs s TYR 258 N 0.67 2.35 -0.05 5.22 1.51 -0.78 0.94 117.35 127.20 1wcs s TYR 258 Ca -0.14 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.57 1wcs s TYR 258 Cb -0.16 -1.32 -0.03 0.00 -0.11 0.00 0.00 41.96 40.35 1wcs s TYR 258 CO 0.04 0.27 -0.10 -1.21 -1.11 0.00 0.00 175.55 173.44 1wcs s GLU 259 N -1.78 2.63 -0.25 -0.62 2.02 0.15 -0.07 118.70 120.77 1wcs s GLU 259 Ca 0.14 -0.62 -0.02 0.00 0.02 0.00 0.00 54.97 54.48 1wcs s GLU 259 Cb -0.10 -2.50 0.08 0.00 0.10 0.00 0.00 34.13 31.71 1wcs s GLU 259 CO 0.05 0.64 0.08 0.45 0.02 0.00 0.00 175.26 176.50 1wcs s SER 260 N -0.83 3.42 0.46 -0.19 0.15 -0.20 -1.98 113.70 114.54 1wcs s SER 260 Ca 0.12 -1.20 0.25 0.00 0.70 0.00 0.00 55.95 55.82 1wcs s SER 260 Cb -0.11 -0.65 1.02 0.00 -1.71 0.00 0.00 66.02 64.58 1wcs s SER 260 CO 0.01 -0.37 1.87 0.28 1.20 0.00 0.00 173.24 176.24 1wcs h SER 261 N 8.22 0.00 -0.86 5.45 0.02 -1.87 -1.88 113.55 122.63 1wcs h SER 261 Ca -0.16 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.20 1wcs h SER 261 Cb 1.06 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.27 1wcs h SER 261 CO 0.40 0.20 0.14 -0.90 -1.14 0.00 0.00 176.83 175.53 1wcs n ASP 262 N -3.41 6.11 -3.53 3.07 3.85 -1.26 -4.72 116.55 116.65 1wcs n ASP 262 Ca -0.00 -3.77 -0.20 0.00 -0.71 0.00 0.00 54.79 50.11 1wcs n ASP 262 Cb 0.39 -0.70 0.02 0.00 -1.35 0.00 0.00 41.12 39.48 1wcs n ASP 262 CO 0.00 0.00 0.00 0.80 -1.01 0.00 0.00 177.20 176.99 1wcs n MET 263 N -0.86 -1.35 0.00 0.11 0.00 -1.25 -3.18 117.12 110.60 1wcs n MET 263 Ca 0.53 0.88 0.00 0.00 -0.00 0.00 0.00 57.70 59.11 1wcs n MET 263 Cb 0.84 -3.97 0.00 0.00 0.00 0.00 0.00 33.22 30.09 1wcs n MET 263 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1wcs n GLY 264 N -1.70 1.90 0.32 -5.12 0.00 -1.26 -4.85 105.19 94.48 1wcs n GLY 264 Ca -0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.94 1wcs n GLY 264 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1wcs h LYS 265 N 0.83 0.52 -3.16 1.61 3.64 -1.88 0.52 116.57 118.65 1wcs h LYS 265 Ca 0.00 -0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.11 1wcs h LYS 265 Cb 0.00 -0.12 -0.32 0.00 -0.41 0.00 0.00 32.23 31.38 1wcs h LYS 265 CO 0.00 0.35 -0.57 0.95 -2.27 0.00 0.00 179.45 177.90 1wcs s THR 266 N -5.49 -0.09 -0.07 1.00 -4.23 -1.26 -2.17 115.64 103.32 1wcs s THR 266 Ca -0.08 0.20 -0.02 0.00 -1.18 0.00 0.00 61.69 60.61 1wcs s THR 266 Cb 0.18 -0.29 -0.03 0.00 1.34 0.00 0.00 72.50 73.70 1wcs s THR 266 CO 0.74 0.08 0.03 0.26 -0.54 0.00 0.00 174.62 175.19 1wcs s TRP 267 N 1.41 3.21 0.05 3.99 0.52 -1.26 -4.56 118.94 122.30 1wcs s TRP 267 Ca -0.07 0.22 0.07 0.00 0.02 0.00 0.00 56.10 56.34 1wcs s TRP 267 Cb -0.11 -1.78 -0.03 0.00 -1.15 0.00 0.00 33.47 30.40 1wcs s TRP 267 CO -0.07 0.51 -0.20 0.14 0.02 0.00 0.00 176.95 177.35 1wcs s VAL 268 N -0.96 1.63 0.13 4.03 -7.23 -0.84 -4.95 120.40 112.23 1wcs s VAL 268 Ca 0.15 -1.22 -0.29 0.00 -1.81 0.00 0.00 61.98 58.81 1wcs s VAL 268 Cb -0.11 -1.43 -0.07 0.00 0.56 0.00 0.00 36.38 35.33 1wcs s VAL 268 CO 0.05 0.17 0.93 -0.70 -0.31 0.00 0.00 175.10 175.23 1wcs s GLU 269 N -1.25 4.71 -1.13 4.82 2.12 -1.26 0.31 118.70 127.03 1wcs s GLU 269 Ca 0.07 1.41 -0.16 0.00 0.36 0.00 0.00 54.97 56.65 1wcs s GLU 269 Cb -0.09 -3.35 -0.06 0.00 0.26 0.00 0.00 34.13 30.89 1wcs s GLU 269 CO 0.02 0.30 2.15 0.00 -0.54 0.00 0.00 175.26 177.19 1wcs n ALA 270 N 2.47 4.68 -0.11 6.30 0.00 0.27 -4.66 120.51 129.46 1wcs n ALA 270 Ca 0.01 -3.42 -0.09 0.00 0.00 0.00 0.00 53.44 49.93 1wcs n ALA 270 Cb 0.49 -3.51 -0.02 0.00 0.00 0.00 0.00 19.45 16.41 1wcs n ALA 270 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wcs h LEU 271 N 11.20 0.44 -2.99 0.00 3.38 -1.89 0.30 115.31 125.75 1wcs h LEU 271 Ca 0.52 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.32 1wcs h LEU 271 Cb 0.57 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1wcs h LEU 271 CO 1.87 0.44 0.06 0.61 0.09 0.00 0.00 178.44 181.51 1wcs n GLY 272 N -0.86 2.76 0.00 0.83 0.00 -1.26 -4.05 105.19 102.61 1wcs n GLY 272 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1wcs n GLY 272 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wcs n THR 273 N 0.32 0.00 -0.03 2.61 -2.24 -1.22 -4.83 114.28 108.89 1wcs n THR 273 Ca 0.24 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 62.01 1wcs n THR 273 Cb 1.01 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 69.17 1wcs n THR 273 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1wcs n LEU 274 N -0.20 0.00 -4.66 3.22 4.77 -1.11 -4.51 117.00 114.50 1wcs n LEU 274 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1wcs n LEU 274 Cb 0.00 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1wcs n LEU 274 CO 0.00 0.15 0.76 -0.24 -1.33 0.00 0.00 177.39 176.73 1wcs n SER 275 N -2.17 2.05 0.00 -1.43 2.88 0.10 -2.14 113.62 112.91 1wcs n SER 275 Ca -0.10 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1wcs n SER 275 Cb 0.61 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 1wcs n SER 275 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1wcs n HIS 276 N -0.11 0.00 -0.25 0.66 8.25 -0.67 -4.76 115.22 118.34 1wcs n HIS 276 Ca 0.07 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.46 1wcs n HIS 276 Cb 0.38 -0.68 0.04 0.00 1.12 0.00 0.00 29.99 30.85 1wcs n HIS 276 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1wcs h VAL 277 N 0.00 1.25 -3.31 1.59 2.07 -1.65 -3.43 116.25 112.77 1wcs h VAL 277 Ca 0.00 -0.84 -0.66 0.00 0.82 0.00 0.00 66.70 66.02 1wcs h VAL 277 Cb 0.00 0.50 -0.12 0.00 -1.52 0.00 0.00 31.29 30.15 1wcs h VAL 277 CO 0.00 0.33 -0.63 0.26 0.02 0.00 0.00 177.57 177.55 1wcs s TRP 278 N -5.45 3.10 0.18 1.57 0.51 -1.26 -1.57 118.94 116.01 1wcs s TRP 278 Ca -0.12 0.07 0.03 0.00 -2.12 0.00 0.00 56.10 53.96 1wcs s TRP 278 Cb 0.14 -1.65 -0.01 0.00 -0.81 0.00 0.00 33.47 31.14 1wcs s TRP 278 CO 0.83 0.48 0.11 -2.37 -0.51 0.00 0.00 176.95 175.48 1wcs n THR 279 N 1.11 0.00 0.14 2.01 5.66 -1.26 0.36 114.28 122.30 1wcs n THR 279 Ca -0.13 -1.16 0.12 0.00 -3.05 0.00 0.00 64.05 59.83 1wcs n THR 279 Cb 0.52 0.51 0.01 0.00 -1.55 0.00 0.00 70.33 69.83 1wcs n THR 279 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1wcs h ASN 280 N 0.89 0.00 -4.31 1.09 -1.07 -1.87 -3.48 115.58 106.84 1wcs h ASN 280 Ca -0.13 -0.02 0.23 0.00 0.07 0.00 0.00 56.30 56.45 1wcs h ASN 280 Cb 0.58 0.00 -0.18 0.00 -2.07 0.00 0.00 38.32 36.65 1wcs h ASN 280 CO 0.20 0.01 0.75 -0.94 0.07 0.00 0.00 177.43 177.52 1wcs s SER 281 N -5.30 -0.18 0.27 6.14 1.04 -1.26 -4.54 113.70 109.87 1wcs s SER 281 Ca 0.00 0.00 0.04 0.00 0.48 0.00 0.00 55.95 56.47 1wcs s SER 281 Cb 0.10 0.19 0.72 0.00 0.10 0.00 0.00 66.02 67.12 1wcs s SER 281 CO 0.78 -0.31 1.31 -0.81 0.98 0.00 0.00 173.24 175.20 1wcs n PRO 282 N -0.11 -0.06 -0.02 4.02 -0.04 -1.26 0.18 135.00 137.71 1wcs n PRO 282 Ca -0.01 1.24 0.13 0.00 -0.04 0.00 0.00 63.50 64.82 1wcs n PRO 282 Cb 0.59 -2.01 0.43 0.00 -0.04 0.00 0.00 33.50 32.47 1wcs n PRO 282 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wcs n THR 283 N -5.15 0.04 -1.04 0.52 -2.24 -1.26 -4.55 114.28 100.60 1wcs n THR 283 Ca 0.22 -0.32 -0.04 0.00 -2.27 0.00 0.00 64.05 61.64 1wcs n THR 283 Cb 0.71 0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 69.59 1wcs n THR 283 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1wcs n SER 284 N 0.43 -5.44 -0.53 3.42 7.64 0.13 -4.84 113.62 114.42 1wcs n SER 284 Ca 0.18 0.09 0.06 0.00 1.01 0.00 0.00 58.87 60.21 1wcs n SER 284 Cb 0.40 -3.50 0.20 0.00 -1.01 0.00 0.00 64.21 60.30 1wcs n SER 284 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1wcs n ASN 285 N -0.78 1.93 -4.61 6.43 6.94 -1.26 -2.75 115.26 121.16 1wcs n ASN 285 Ca -0.04 -3.72 -0.25 0.00 -0.02 0.00 0.00 54.58 50.56 1wcs n ASN 285 Cb 0.49 -0.52 -0.09 0.00 -2.36 0.00 0.00 39.78 37.31 1wcs n ASN 285 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1wcs s GLN 286 N -3.16 2.03 0.75 -3.83 -1.52 -1.26 -4.74 119.66 107.93 1wcs s GLN 286 Ca 0.37 -1.75 -0.15 0.00 -1.95 0.00 0.00 55.36 51.88 1wcs s GLN 286 Cb 0.35 -1.90 0.03 0.00 -0.22 0.00 0.00 33.01 31.26 1wcs s GLN 286 CO -0.04 0.16 1.02 -2.30 -0.25 0.00 0.00 175.29 173.89 1wcs n PRO 287 N -0.91 0.44 0.00 2.91 -0.02 -1.26 -1.55 135.00 134.61 1wcs n PRO 287 Ca -0.04 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1wcs n PRO 287 Cb 0.62 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1wcs n PRO 287 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1wcs n ASP 288 N -2.07 0.00 -3.54 2.55 -0.08 -1.26 -4.71 116.55 107.44 1wcs n ASP 288 Ca 0.13 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.26 1wcs n ASP 288 Cb 0.50 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.91 1wcs n ASP 288 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wcs n GLN 290 N 0.48 0.52 -3.76 0.00 0.00 -1.26 -4.75 117.38 108.62 1wcs n GLN 290 Ca -0.18 0.24 -0.12 0.00 -0.00 0.00 0.00 57.00 56.93 1wcs n GLN 290 Cb 0.60 -2.36 -0.12 0.00 0.00 0.00 0.00 30.24 28.35 1wcs n GLN 290 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1wcs s SER 291 N -1.75 -0.29 0.38 1.69 0.01 -1.26 -4.67 113.70 107.81 1wcs s SER 291 Ca 0.75 0.56 -0.11 0.00 1.31 0.00 0.00 55.95 58.46 1wcs s SER 291 Cb -0.33 0.51 -0.07 0.00 0.21 0.00 0.00 66.02 66.34 1wcs s SER 291 CO 0.48 -0.12 0.74 -0.94 0.41 0.00 0.00 173.24 173.81 1wcs s SER 292 N 0.62 6.56 -0.26 2.44 1.04 -1.25 -4.70 113.70 118.14 1wcs s SER 292 Ca -0.04 1.11 -0.01 0.00 0.48 0.00 0.00 55.95 57.49 1wcs s SER 292 Cb -0.05 -2.31 0.13 0.00 0.10 0.00 0.00 66.02 63.89 1wcs s SER 292 CO -0.04 -0.34 0.33 0.12 0.98 0.00 0.00 173.24 174.29 1wcs s PHE 293 N -2.27 -0.66 0.03 5.02 5.36 -1.25 -3.05 117.98 121.17 1wcs s PHE 293 Ca 0.51 0.29 -0.06 0.00 -0.96 0.00 0.00 56.93 56.71 1wcs s PHE 293 Cb -0.10 -0.24 -0.01 0.00 -0.34 0.00 0.00 43.02 42.33 1wcs s PHE 293 CO 0.29 -0.83 0.11 0.14 -1.46 0.00 0.00 175.22 173.47 1wcs s VAL 294 N 2.45 0.12 -0.23 3.12 -7.23 -1.07 -4.41 120.40 113.15 1wcs s VAL 294 Ca 0.10 -0.99 -0.16 0.00 -1.81 0.00 0.00 61.98 59.12 1wcs s VAL 294 Cb -0.14 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 35.97 1wcs s VAL 294 CO -0.24 -0.55 0.41 0.00 -0.31 0.00 0.00 175.10 174.41 1wcs s ALA 295 N -2.34 3.57 0.14 1.32 0.00 -1.26 -1.71 121.76 121.47 1wcs s ALA 295 Ca -0.07 -0.62 0.07 0.00 0.00 0.00 0.00 51.96 51.33 1wcs s ALA 295 Cb -0.03 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 1wcs s ALA 295 CO -0.03 -0.47 -0.16 0.14 0.00 0.00 0.00 175.76 175.24 1wcs s VAL 296 N 1.67 1.53 -0.48 0.00 -7.23 -1.10 -5.00 120.40 109.78 1wcs s VAL 296 Ca 0.18 -1.78 -0.09 0.00 -1.81 0.00 0.00 61.98 58.48 1wcs s VAL 296 Cb -0.15 -1.65 0.12 0.00 0.56 0.00 0.00 36.38 35.26 1wcs s VAL 296 CO 0.09 -0.36 0.35 -0.89 -0.31 0.00 0.00 175.10 173.98 1wcs s THR 297 N -2.07 4.20 -0.22 5.32 2.01 -1.26 -1.19 115.64 122.43 1wcs s THR 297 Ca 0.11 -1.85 -0.10 0.00 0.31 0.00 0.00 61.69 60.16 1wcs s THR 297 Cb -0.05 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 1wcs s THR 297 CO 0.04 -0.78 0.14 -0.63 -0.69 0.00 0.00 174.62 172.70 1wcs s ILE 298 N 1.28 5.31 0.00 1.82 1.01 0.14 -4.22 121.20 126.54 1wcs s ILE 298 Ca 0.06 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.87 1wcs s ILE 298 Cb -0.26 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1wcs s ILE 298 CO -0.01 0.38 0.00 -0.62 0.00 0.00 0.00 174.94 174.69 1wcs n GLU 299 N 4.00 -1.73 0.00 2.79 -0.58 -1.26 -0.44 120.64 123.42 1wcs n GLU 299 Ca -0.15 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 1wcs n GLU 299 Cb 0.52 -4.82 0.00 0.00 -0.57 0.00 0.00 31.44 26.57 1wcs n GLU 299 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wcs n GLY 300 N 0.53 2.94 3.75 0.62 0.00 -1.26 -5.05 105.19 106.72 1wcs n GLY 300 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1wcs n GLY 300 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wcs s LYS 301 N -0.61 4.69 -0.46 1.61 2.20 0.41 -5.05 119.74 122.53 1wcs s LYS 301 Ca 0.00 1.33 -0.26 0.00 -0.36 0.00 0.00 55.97 56.67 1wcs s LYS 301 Cb 0.00 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 33.04 1wcs s LYS 301 CO 0.00 0.43 0.98 0.50 -0.36 0.00 0.00 175.35 176.91 1wcs s ARG 302 N -0.75 3.59 0.32 4.03 6.06 -1.26 0.27 118.95 131.21 1wcs s ARG 302 Ca 0.40 0.28 0.01 0.00 -2.50 0.00 0.00 55.73 53.93 1wcs s ARG 302 Cb -0.24 -3.92 -0.01 0.00 0.06 0.00 0.00 34.95 30.85 1wcs s ARG 302 CO 0.29 -1.26 0.05 1.33 -2.50 0.00 0.00 175.30 173.21 1wcs n VAL 303 N 6.53 0.00 -4.05 7.11 0.24 -0.33 -4.82 118.33 123.01 1wcs n VAL 303 Ca 0.08 -1.66 -0.20 0.00 -2.04 0.00 0.00 64.34 60.51 1wcs n VAL 303 Cb 0.49 0.47 -0.17 0.00 -1.47 0.00 0.00 33.84 33.16 1wcs n VAL 303 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1wcs s MET 304 N -3.17 0.72 -0.14 7.34 -1.94 0.67 -2.73 119.30 120.06 1wcs s MET 304 Ca 0.08 -0.04 -0.03 0.00 -1.71 0.00 0.00 55.69 53.98 1wcs s MET 304 Cb 0.00 -0.82 -0.03 0.00 2.01 0.00 0.00 34.83 35.99 1wcs s MET 304 CO 0.05 -0.13 -0.03 -0.51 -0.01 0.00 0.00 175.02 174.39 1wcs s LEU 305 N 1.14 3.32 -0.03 -0.03 1.43 -0.69 -1.18 118.68 122.64 1wcs s LEU 305 Ca -0.08 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 1wcs s LEU 305 Cb -0.14 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.30 1wcs s LEU 305 CO -0.01 0.22 -0.11 0.12 0.23 0.00 0.00 176.35 176.80 1wcs s PHE 306 N 0.04 1.10 0.01 0.29 5.36 -0.72 -2.60 117.98 121.45 1wcs s PHE 306 Ca 0.01 -0.28 0.08 0.00 -0.96 0.00 0.00 56.93 55.77 1wcs s PHE 306 Cb -0.13 -0.77 -0.02 0.00 -0.34 0.00 0.00 43.02 41.76 1wcs s PHE 306 CO 0.03 -0.11 -0.24 0.95 -1.46 0.00 0.00 175.22 174.38 1wcs s THR 307 N 0.14 1.94 -0.29 0.12 -4.23 -1.17 -0.88 115.64 111.27 1wcs s THR 307 Ca -0.03 -1.16 -0.17 0.00 -1.18 0.00 0.00 61.69 59.15 1wcs s THR 307 Cb -0.09 -1.63 0.15 0.00 1.34 0.00 0.00 72.50 72.27 1wcs s THR 307 CO 0.01 0.44 1.02 -2.28 -0.54 0.00 0.00 174.62 173.27 1wcs s HIS 308 N -0.67 -0.50 0.14 3.99 5.04 -0.73 -3.86 115.29 118.71 1wcs s HIS 308 Ca 0.10 1.01 -0.31 0.00 -1.54 0.00 0.00 55.06 54.32 1wcs s HIS 308 Cb -0.09 0.32 -0.09 0.00 0.04 0.00 0.00 32.58 32.75 1wcs s HIS 308 CO 0.00 -0.25 1.47 -2.14 -2.34 0.00 0.00 174.74 171.49 1wcs s PRO 309 N 1.17 4.27 0.54 2.88 0.02 -1.26 -1.12 135.00 141.50 1wcs s PRO 309 Ca -0.07 2.21 0.22 0.00 0.02 0.00 0.00 61.00 63.38 1wcs s PRO 309 Cb -0.04 -3.20 1.46 0.00 0.02 0.00 0.00 34.50 32.74 1wcs s PRO 309 CO -0.14 -0.52 2.17 -0.07 -0.33 0.00 0.00 177.00 178.11 1wcs h LEU 310 N 6.77 0.00 -3.48 -5.54 3.38 0.19 -3.45 115.31 113.17 1wcs h LEU 310 Ca -0.42 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.15 1wcs h LEU 310 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1wcs h LEU 310 CO 0.89 0.03 -0.90 -3.20 0.09 0.00 0.00 178.44 175.35 1wcs n ASN 311 N -4.20 -5.42 0.06 -0.43 5.15 -0.20 -4.23 115.26 105.99 1wcs n ASN 311 Ca -0.03 -0.77 -0.04 0.00 -0.60 0.00 0.00 54.58 53.14 1wcs n ASN 311 Cb 0.11 -2.36 -0.02 0.00 -0.53 0.00 0.00 39.78 36.99 1wcs n ASN 311 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1wcs h LEU 312 N -0.06 -0.21 -0.01 1.20 3.38 -1.91 -3.31 115.31 114.40 1wcs h LEU 312 Ca -0.51 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1wcs h LEU 312 Cb 1.33 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 1wcs h LEU 312 CO 0.35 0.19 0.72 0.29 0.09 0.00 0.00 178.44 180.08 1wcs n LYS 313 N -4.57 0.02 -0.22 1.13 5.02 -1.26 -4.83 118.16 113.45 1wcs n LYS 313 Ca -0.03 0.68 0.03 0.00 -2.02 0.00 0.00 58.31 56.97 1wcs n LYS 313 Cb 0.10 -1.84 -0.01 0.00 -0.02 0.00 0.00 35.03 33.26 1wcs n LYS 313 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wcs n GLY 314 N -1.22 -2.28 7.00 0.72 0.00 -1.24 -4.92 105.19 103.25 1wcs n GLY 314 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1wcs n GLY 314 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wcs n ARG 315 N -2.63 0.00 -1.31 1.61 1.74 -1.26 -3.19 116.66 111.61 1wcs n ARG 315 Ca -0.01 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 1wcs n ARG 315 Cb 0.10 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.65 1wcs n ARG 315 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1wcs n TRP 316 N 14.00 3.11 -0.03 -1.55 8.01 -1.26 -4.47 117.44 135.25 1wcs n TRP 316 Ca 0.00 -2.62 -0.21 0.00 -1.31 0.00 0.00 57.50 53.36 1wcs n TRP 316 Cb 0.00 -1.24 -0.13 0.00 -2.01 0.00 0.00 31.31 27.93 1wcs n TRP 316 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.69 175.35 1wcs n MET 317 N -0.98 0.73 -3.78 -0.99 2.81 -1.19 -4.99 117.12 108.72 1wcs n MET 317 Ca 0.61 0.24 -0.26 0.00 -1.81 0.00 0.00 57.70 56.47 1wcs n MET 317 Cb 0.98 -1.67 0.04 0.00 -0.71 0.00 0.00 33.22 31.87 1wcs n MET 317 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1wcs n ARG 318 N -3.45 -6.00 -1.07 0.03 1.74 -1.26 -3.90 116.66 102.74 1wcs n ARG 318 Ca -0.35 0.67 -0.30 0.00 -0.77 0.00 0.00 57.85 57.09 1wcs n ARG 318 Cb 1.03 -5.53 0.15 0.00 -1.02 0.00 0.00 32.46 27.08 1wcs n ARG 318 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1wcs s ASP 319 N -3.58 3.24 -0.43 0.55 1.47 -1.26 -0.86 116.67 115.80 1wcs s ASP 319 Ca 0.48 1.63 -0.22 0.00 1.18 0.00 0.00 52.55 55.62 1wcs s ASP 319 Cb -0.23 -2.28 0.03 0.00 -0.34 0.00 0.00 42.92 40.09 1wcs s ASP 319 CO 0.80 -2.81 0.61 0.54 0.68 0.00 0.00 175.17 174.99 1wcs n ARG 320 N -4.00 -2.28 -3.02 2.11 1.74 -1.21 -1.03 116.66 108.96 1wcs n ARG 320 Ca 0.07 1.95 -0.41 0.00 -0.77 0.00 0.00 57.85 58.70 1wcs n ARG 320 Cb 0.54 -4.74 -0.05 0.00 -1.02 0.00 0.00 32.46 27.19 1wcs n ARG 320 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1wcs s LEU 321 N -2.55 4.09 0.26 0.55 2.96 -1.26 0.16 118.68 122.89 1wcs s LEU 321 Ca 0.28 0.87 0.08 0.00 -0.22 0.00 0.00 54.13 55.14 1wcs s LEU 321 Cb -0.06 -3.00 -0.04 0.00 0.50 0.00 0.00 46.19 43.59 1wcs s LEU 321 CO 0.80 -0.40 0.11 -1.00 -1.32 0.00 0.00 176.35 174.54 1wcs s HIS 322 N 2.48 2.92 0.08 5.38 3.76 -0.27 -1.11 115.29 128.53 1wcs s HIS 322 Ca 0.30 -0.17 0.08 0.00 -0.15 0.00 0.00 55.06 55.12 1wcs s HIS 322 Cb -0.16 -1.34 -0.04 0.00 1.11 0.00 0.00 32.58 32.16 1wcs s HIS 322 CO 0.09 0.55 -0.17 -1.17 -0.85 0.00 0.00 174.74 173.18 1wcs s LEU 323 N -3.78 2.71 0.01 0.89 2.96 -1.01 -1.77 118.68 118.69 1wcs s LEU 323 Ca 0.33 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 1wcs s LEU 323 Cb -0.07 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 1wcs s LEU 323 CO 0.23 0.21 -0.02 0.26 -1.32 0.00 0.00 176.35 175.71 1wcs s TRP 324 N -1.06 0.14 0.02 5.38 0.51 -0.06 -1.56 118.94 122.31 1wcs s TRP 324 Ca 0.17 -0.27 0.08 0.00 -2.12 0.00 0.00 56.10 53.96 1wcs s TRP 324 Cb -0.11 -0.10 -0.02 0.00 -0.81 0.00 0.00 33.47 32.43 1wcs s TRP 324 CO 0.08 -0.10 -0.25 1.41 -0.51 0.00 0.00 176.95 177.59 1wcs s MET 325 N -0.74 1.78 -0.01 4.98 -2.45 0.99 -1.76 119.30 122.09 1wcs s MET 325 Ca -0.08 -0.99 -0.03 0.00 -1.25 0.00 0.00 55.69 53.34 1wcs s MET 325 Cb -0.05 -1.86 0.00 0.00 1.25 0.00 0.00 34.83 34.17 1wcs s MET 325 CO -0.00 0.49 0.07 -0.08 1.05 0.00 0.00 175.02 176.54 1wcs s THR 326 N -0.72 0.04 -0.34 10.11 -1.32 -0.32 0.13 115.64 123.22 1wcs s THR 326 Ca 0.10 -0.35 0.08 0.00 -1.21 0.00 0.00 61.69 60.31 1wcs s THR 326 Cb -0.10 -0.22 0.57 0.00 -1.51 0.00 0.00 72.50 71.25 1wcs s THR 326 CO 0.01 -0.19 1.62 -0.90 -2.21 0.00 0.00 174.62 172.95 1wcs n ASP 327 N 2.39 3.03 -0.18 8.08 3.85 -1.06 -0.23 116.55 132.42 1wcs n ASP 327 Ca -0.17 -3.67 -0.02 0.00 -0.71 0.00 0.00 54.79 50.21 1wcs n ASP 327 Cb 0.58 -0.70 -0.01 0.00 -1.35 0.00 0.00 41.12 39.63 1wcs n ASP 327 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1wcs n ASN 328 N -1.06 -3.85 0.02 -1.12 4.05 -1.26 -4.78 115.26 107.26 1wcs n ASN 328 Ca 0.42 0.06 0.00 0.00 0.45 0.00 0.00 54.58 55.51 1wcs n ASN 328 Cb 1.25 -1.56 0.00 0.00 1.23 0.00 0.00 39.78 40.70 1wcs n ASN 328 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1wcs n GLN 329 N -2.18 0.00 -2.61 1.20 6.02 -1.26 -4.93 117.38 113.62 1wcs n GLN 329 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.54 1wcs n GLN 329 Cb 0.17 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.40 1wcs n GLN 329 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1wcs s ARG 330 N -1.13 4.47 -0.25 -1.09 3.00 -1.26 -4.91 118.95 117.78 1wcs s ARG 330 Ca 0.00 1.52 -0.04 0.00 0.00 0.00 0.00 55.73 57.21 1wcs s ARG 330 Cb 0.00 -3.48 0.01 0.00 0.00 0.00 0.00 34.95 31.48 1wcs s ARG 330 CO 0.00 -0.22 -0.01 0.42 0.00 0.00 0.00 175.30 175.49 1wcs s ILE 331 N 1.47 3.45 -0.17 1.52 1.01 -1.26 -2.58 121.20 124.65 1wcs s ILE 331 Ca 0.53 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 60.43 1wcs s ILE 331 Cb -0.23 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 1wcs s ILE 331 CO 0.25 0.25 0.02 0.12 0.00 0.00 0.00 174.94 175.57 1wcs s PHE 332 N 1.45 3.14 -0.14 3.97 5.36 0.34 -4.74 117.98 127.36 1wcs s PHE 332 Ca 0.03 -0.11 -0.26 0.00 -0.96 0.00 0.00 56.93 55.64 1wcs s PHE 332 Cb -0.16 -2.02 -0.02 0.00 -0.34 0.00 0.00 43.02 40.48 1wcs s PHE 332 CO -0.02 0.06 0.85 0.34 -1.46 0.00 0.00 175.22 174.99 1wcs s ASP 333 N 0.38 7.03 -0.33 6.13 -1.08 -1.26 -0.01 116.67 127.52 1wcs s ASP 333 Ca -0.00 1.26 0.09 0.00 -0.52 0.00 0.00 52.55 53.37 1wcs s ASP 333 Cb -0.13 -2.47 0.68 0.00 -1.46 0.00 0.00 42.92 39.54 1wcs s ASP 333 CO 0.01 -0.36 1.75 0.52 0.52 0.00 0.00 175.17 177.62 1wcs n VAL 334 N 4.53 2.89 -4.30 1.11 0.31 -0.60 -4.91 118.33 117.37 1wcs n VAL 334 Ca 0.04 -1.88 0.00 0.00 -0.01 0.00 0.00 64.34 62.49 1wcs n VAL 334 Cb 0.49 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 1wcs n VAL 334 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wcs n GLY 335 N -0.54 -0.68 3.74 2.92 0.00 -1.26 -4.68 105.19 104.69 1wcs n GLY 335 Ca 0.42 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 1wcs n GLY 335 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wcs s GLN 336 N 0.00 3.95 -0.23 1.61 0.74 -1.24 -2.41 119.66 122.09 1wcs s GLN 336 Ca 0.00 -0.24 0.13 0.00 0.05 0.00 0.00 55.36 55.31 1wcs s GLN 336 Cb 0.00 -3.30 0.51 0.00 1.10 0.00 0.00 33.01 31.32 1wcs s GLN 336 CO 0.00 0.41 1.44 0.44 -0.55 0.00 0.00 175.29 177.03 1wcs n ILE 337 N 3.16 2.40 -4.51 -2.34 -5.35 -0.26 -2.86 119.36 109.59 1wcs n ILE 337 Ca -0.17 -2.24 -0.25 0.00 -0.27 0.00 0.00 62.75 59.82 1wcs n ILE 337 Cb 0.53 -0.29 -0.09 0.00 -1.74 0.00 0.00 39.64 38.05 1wcs n ILE 337 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1wcs s SER 338 N -2.20 2.77 -0.29 7.28 1.04 -1.24 -4.89 113.70 116.17 1wcs s SER 338 Ca 0.43 -1.54 -0.06 0.00 0.48 0.00 0.00 55.95 55.26 1wcs s SER 338 Cb 0.37 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.73 1wcs s SER 338 CO 0.05 -0.77 0.06 -0.63 0.98 0.00 0.00 173.24 172.93 1wcs s ILE 339 N -3.20 3.82 0.00 -1.02 1.01 -1.26 -3.12 121.20 117.42 1wcs s ILE 339 Ca 0.28 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1wcs s ILE 339 Cb 0.05 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.56 1wcs s ILE 339 CO 0.14 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.79 1wcs n GLY 340 N 4.84 1.35 0.66 6.18 0.00 -1.26 -3.20 105.19 113.76 1wcs n GLY 340 Ca -0.15 -0.67 0.05 0.00 0.00 0.00 0.00 46.02 45.25 1wcs n GLY 340 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wcs n ASP 341 N 0.61 1.92 -4.70 1.61 5.68 -1.26 -4.69 116.55 115.71 1wcs n ASP 341 Ca 0.00 -2.03 -0.32 0.00 -0.50 0.00 0.00 54.79 51.94 1wcs n ASP 341 Cb 0.00 -0.25 0.13 0.00 -1.14 0.00 0.00 41.12 39.85 1wcs n ASP 341 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1wcs s GLU 342 N -1.56 1.64 -0.45 0.11 -1.05 -1.20 -4.60 118.70 111.60 1wcs s GLU 342 Ca 0.23 1.61 -0.26 0.00 -0.15 0.00 0.00 54.97 56.40 1wcs s GLU 342 Cb 0.12 -1.79 0.03 0.00 -0.44 0.00 0.00 34.13 32.05 1wcs s GLU 342 CO 0.15 -2.18 0.95 -0.80 0.95 0.00 0.00 175.26 174.33 1wcs s ASN 343 N -2.45 6.54 0.00 0.83 0.01 -1.26 -3.34 114.94 115.28 1wcs s ASN 343 Ca 0.70 0.23 0.00 0.00 -0.71 0.00 0.00 52.86 53.08 1wcs s ASN 343 Cb -0.25 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 38.94 1wcs s ASN 343 CO 0.52 -1.05 0.00 -1.54 -1.51 0.00 0.00 177.10 173.52 1wcs n SER 344 N 7.19 0.00 0.00 -1.22 3.41 -0.04 -0.08 113.62 122.88 1wcs n SER 344 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1wcs n SER 344 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1wcs n SER 344 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wcs n GLY 345 N 4.31 0.30 3.56 5.00 0.00 -1.14 -3.79 105.19 113.44 1wcs n GLY 345 Ca 0.00 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 1wcs n GLY 345 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wcs n TYR 346 N 1.59 0.51 -3.90 1.61 4.02 -1.26 -4.60 117.16 115.12 1wcs n TYR 346 Ca 0.00 0.52 -0.09 0.00 -0.01 0.00 0.00 57.90 58.31 1wcs n TYR 346 Cb 0.00 -2.12 -0.05 0.00 -0.02 0.00 0.00 39.34 37.14 1wcs n TYR 346 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1wcs s SER 347 N -0.96 -0.10 0.02 7.72 1.04 -1.26 -0.34 113.70 119.81 1wcs s SER 347 Ca 0.67 -0.77 -0.15 0.00 0.48 0.00 0.00 55.95 56.18 1wcs s SER 347 Cb -0.51 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.17 1wcs s SER 347 CO 0.54 -1.03 0.33 -0.55 0.98 0.00 0.00 173.24 173.51 1wcs s SER 348 N -2.96 -0.18 0.03 7.02 0.15 0.29 -4.24 113.70 113.81 1wcs s SER 348 Ca 0.16 -0.04 0.03 0.00 0.70 0.00 0.00 55.95 56.81 1wcs s SER 348 Cb 0.01 0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 64.65 1wcs s SER 348 CO 0.02 -0.55 -0.09 0.54 1.20 0.00 0.00 173.24 174.36 1wcs s VAL 349 N -2.00 0.72 -0.09 4.45 0.11 -1.26 -0.81 120.40 121.52 1wcs s VAL 349 Ca -0.09 -0.82 -0.03 0.00 -2.93 0.00 0.00 61.98 58.11 1wcs s VAL 349 Cb -0.03 -0.69 0.05 0.00 -1.53 0.00 0.00 36.38 34.19 1wcs s VAL 349 CO 0.00 -0.10 0.17 -0.22 -3.33 0.00 0.00 175.10 171.62 1wcs s LEU 350 N -1.02 0.04 -0.35 2.54 2.96 0.46 -4.89 118.68 118.42 1wcs s LEU 350 Ca -0.02 0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 54.18 1wcs s LEU 350 Cb -0.07 0.34 0.05 0.00 0.50 0.00 0.00 46.19 47.01 1wcs s LEU 350 CO 0.01 -0.23 0.12 -0.47 -1.32 0.00 0.00 176.35 174.46 1wcs s TYR 351 N 2.10 3.30 0.01 5.38 5.04 -1.26 0.79 117.35 132.71 1wcs s TYR 351 Ca 0.01 -1.58 0.00 0.00 -2.44 0.00 0.00 57.07 53.06 1wcs s TYR 351 Cb -0.12 -2.43 -0.01 0.00 0.35 0.00 0.00 41.96 39.75 1wcs s TYR 351 CO -0.06 -0.78 -0.02 0.21 -1.34 0.00 0.00 175.55 173.56 1wcs s LYS 352 N 1.37 0.18 -1.20 4.97 2.20 -0.86 -4.85 119.74 121.54 1wcs s LYS 352 Ca -0.01 -0.25 -0.10 0.00 -0.36 0.00 0.00 55.97 55.25 1wcs s LYS 352 Cb -0.20 -0.04 0.08 0.00 -1.51 0.00 0.00 37.83 36.16 1wcs s LYS 352 CO 0.02 0.00 0.43 -0.25 -0.36 0.00 0.00 175.35 175.19 1wcs n ASP 353 N 2.53 -3.13 -2.85 1.43 8.00 -1.26 -0.82 116.55 120.45 1wcs n ASP 353 Ca -0.16 -0.38 -0.21 0.00 0.71 0.00 0.00 54.79 54.75 1wcs n ASP 353 Cb 0.58 -2.63 0.01 0.00 -0.02 0.00 0.00 41.12 39.07 1wcs n ASP 353 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1wcs n ASP 354 N -2.20 -5.35 -4.40 -2.24 4.64 -1.26 -5.00 116.55 100.74 1wcs n ASP 354 Ca 0.00 -0.17 -0.26 0.00 -1.38 0.00 0.00 54.79 52.98 1wcs n ASP 354 Cb 0.53 -4.39 -0.12 0.00 -1.04 0.00 0.00 41.12 36.10 1wcs n ASP 354 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1wcs s LYS 355 N -5.51 1.45 -0.10 -0.67 -0.14 0.00 -5.14 119.74 109.63 1wcs s LYS 355 Ca 0.21 -1.49 0.03 0.00 -1.36 0.00 0.00 55.97 53.36 1wcs s LYS 355 Cb -0.10 -1.71 -0.00 0.00 -1.68 0.00 0.00 37.83 34.33 1wcs s LYS 355 CO 0.25 0.37 -0.21 -1.17 -0.76 0.00 0.00 175.35 173.83 1wcs s LEU 356 N -2.65 2.24 0.04 3.17 2.96 -1.26 -2.02 118.68 121.16 1wcs s LEU 356 Ca 0.19 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1wcs s LEU 356 Cb -0.07 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 1wcs s LEU 356 CO 0.09 0.17 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.91 1wcs s TYR 357 N 0.31 0.59 -0.01 5.38 1.51 0.24 -0.99 117.35 124.37 1wcs s TYR 357 Ca -0.16 -0.55 0.06 0.00 -1.01 0.00 0.00 57.07 55.41 1wcs s TYR 357 Cb -0.17 -0.36 -0.02 0.00 -0.11 0.00 0.00 41.96 41.30 1wcs s TYR 357 CO 0.08 -0.12 -0.20 0.45 -1.11 0.00 0.00 175.55 174.65 1wcs s SER 358 N -1.69 2.32 -0.12 2.29 0.15 -1.06 0.18 113.70 115.78 1wcs s SER 358 Ca -0.09 -0.37 -0.01 0.00 0.70 0.00 0.00 55.95 56.17 1wcs s SER 358 Cb -0.09 -0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 63.95 1wcs s SER 358 CO -0.01 0.23 -0.08 -0.22 1.20 0.00 0.00 173.24 174.36 1wcs s LEU 359 N -0.54 3.02 0.20 3.45 0.20 0.01 -1.73 118.68 123.29 1wcs s LEU 359 Ca 0.08 -0.17 -0.23 0.00 0.69 0.00 0.00 54.13 54.49 1wcs s LEU 359 Cb -0.08 -1.69 0.05 0.00 -0.43 0.00 0.00 46.19 44.04 1wcs s LEU 359 CO -0.00 0.23 0.79 -1.38 -0.29 0.00 0.00 176.35 175.69 1wcs s HIS 360 N -0.01 -0.24 0.39 5.38 -3.43 -1.05 0.10 115.29 116.43 1wcs s HIS 360 Ca -0.01 -0.10 -0.10 0.00 -0.80 0.00 0.00 55.06 54.04 1wcs s HIS 360 Cb -0.14 0.65 -0.06 0.00 -1.43 0.00 0.00 32.58 31.60 1wcs s HIS 360 CO 0.03 -0.99 0.74 -1.21 -2.00 0.00 0.00 174.74 171.31 1wcs s GLU 361 N -3.64 3.77 -0.04 -0.38 2.02 0.54 -0.80 118.70 120.18 1wcs s GLU 361 Ca 0.09 0.43 0.00 0.00 0.02 0.00 0.00 54.97 55.51 1wcs s GLU 361 Cb -0.03 -2.42 0.03 0.00 0.10 0.00 0.00 34.13 31.80 1wcs s GLU 361 CO 0.01 0.01 0.00 0.96 0.02 0.00 0.00 175.26 176.26 1wcs s ILE 362 N -2.31 0.22 -0.07 -1.63 -4.36 -0.30 -3.96 121.20 108.79 1wcs s ILE 362 Ca 0.51 0.09 0.05 0.00 -0.26 0.00 0.00 60.65 61.03 1wcs s ILE 362 Cb -0.10 -0.33 -0.00 0.00 1.25 0.00 0.00 42.46 43.28 1wcs s ILE 362 CO 0.30 0.17 -0.22 0.21 0.24 0.00 0.00 174.94 175.65 1wcs s ASN 363 N 1.21 2.73 -0.07 4.36 3.04 0.88 -1.78 114.94 125.33 1wcs s ASN 363 Ca -0.07 -0.47 -0.03 0.00 0.04 0.00 0.00 52.86 52.33 1wcs s ASN 363 Cb -0.13 -0.98 0.04 0.00 -1.54 0.00 0.00 41.25 38.64 1wcs s ASN 363 CO -0.02 0.17 0.09 -0.89 -3.04 0.00 0.00 177.10 173.42 1wcs s THR 364 N 0.14 -0.16 -1.27 -5.21 2.01 -0.60 -4.23 115.64 106.33 1wcs s THR 364 Ca -0.10 0.35 -0.15 0.00 0.31 0.00 0.00 61.69 62.10 1wcs s THR 364 Cb -0.15 -0.24 0.00 0.00 0.01 0.00 0.00 72.50 72.13 1wcs s THR 364 CO 0.05 0.13 0.60 0.59 -0.69 0.00 0.00 174.62 175.30 1wcs n ASN 365 N 5.31 -3.05 -3.63 3.53 3.02 -1.26 -1.94 115.26 117.25 1wcs n ASN 365 Ca -0.04 -1.08 -0.26 0.00 -0.03 0.00 0.00 54.58 53.17 1wcs n ASN 365 Cb 0.50 -2.87 -0.02 0.00 -0.61 0.00 0.00 39.78 36.77 1wcs n ASN 365 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1wcs n ASP 366 N -2.70 -2.76 -4.37 6.41 8.00 -1.26 -4.97 116.55 114.89 1wcs n ASP 366 Ca -0.18 -0.54 -0.33 0.00 0.71 0.00 0.00 54.79 54.46 1wcs n ASP 366 Cb 0.62 -2.33 -0.15 0.00 -0.02 0.00 0.00 41.12 39.25 1wcs n ASP 366 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wcs s VAL 367 N -2.90 2.80 -0.11 2.53 1.01 -0.82 -4.59 120.40 118.32 1wcs s VAL 367 Ca 0.49 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1wcs s VAL 367 Cb -0.27 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.01 1wcs s VAL 367 CO 0.60 0.56 -0.11 -0.31 0.00 0.00 0.00 175.10 175.83 1wcs s TYR 368 N -0.09 1.72 0.17 5.22 1.51 -1.26 -1.55 117.35 123.07 1wcs s TYR 368 Ca -0.03 -0.84 0.09 0.00 -1.01 0.00 0.00 57.07 55.28 1wcs s TYR 368 Cb -0.14 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.35 1wcs s TYR 368 CO 0.04 -0.50 -0.12 -1.12 -1.11 0.00 0.00 175.55 172.74 1wcs s SER 369 N 1.34 4.12 -0.21 2.29 0.01 -0.73 -0.08 113.70 120.45 1wcs s SER 369 Ca -0.01 -0.61 -0.07 0.00 1.31 0.00 0.00 55.95 56.57 1wcs s SER 369 Cb -0.14 -0.65 -0.04 0.00 0.21 0.00 0.00 66.02 65.41 1wcs s SER 369 CO -0.05 0.11 0.06 -0.76 0.41 0.00 0.00 173.24 173.01 1wcs s LEU 370 N -2.74 3.65 0.12 2.44 1.43 -0.56 -1.15 118.68 121.87 1wcs s LEU 370 Ca 0.24 -0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 53.23 1wcs s LEU 370 Cb -0.09 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 44.13 1wcs s LEU 370 CO 0.14 0.09 0.38 0.68 0.23 0.00 0.00 176.35 177.87 1wcs s VAL 371 N 0.88 5.15 -0.23 -1.59 -7.23 0.02 -2.13 120.40 115.26 1wcs s VAL 371 Ca 0.04 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.39 1wcs s VAL 371 Cb -0.14 -3.62 0.03 0.00 0.56 0.00 0.00 36.38 33.21 1wcs s VAL 371 CO 0.02 0.13 -0.11 0.12 -0.31 0.00 0.00 175.10 174.96 1wcs s PHE 372 N -1.56 3.04 -0.07 2.82 5.36 0.99 -2.53 117.98 126.03 1wcs s PHE 372 Ca 0.38 -1.74 0.05 0.00 -0.96 0.00 0.00 56.93 54.66 1wcs s PHE 372 Cb -0.13 -2.00 -0.01 0.00 -0.34 0.00 0.00 43.02 40.55 1wcs s PHE 372 CO 0.22 -0.78 -0.24 0.08 -1.46 0.00 0.00 175.22 173.03 1wcs s VAL 373 N 1.27 2.01 -0.46 3.12 1.01 -0.71 -0.76 120.40 125.88 1wcs s VAL 373 Ca -0.01 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 60.78 1wcs s VAL 373 Cb -0.16 -1.71 0.06 0.00 0.00 0.00 0.00 36.38 34.56 1wcs s VAL 373 CO -0.07 0.56 0.41 -0.13 0.00 0.00 0.00 175.10 175.87 1wcs s ARG 374 N -0.02 3.00 -1.15 2.72 0.52 0.18 -2.55 118.95 121.66 1wcs s ARG 374 Ca -0.08 -1.18 -0.03 0.00 -0.52 0.00 0.00 55.73 53.92 1wcs s ARG 374 Cb -0.15 -4.08 0.24 0.00 0.52 0.00 0.00 34.95 31.48 1wcs s ARG 374 CO 0.05 -0.98 1.97 1.28 0.02 0.00 0.00 175.30 177.64 1wcs n LEU 375 N 5.34 7.42 0.06 2.53 4.77 -0.17 -1.83 117.00 135.14 1wcs n LEU 375 Ca -0.11 -5.15 -0.04 0.00 -0.03 0.00 0.00 56.01 50.67 1wcs n LEU 375 Cb 0.45 -1.27 0.17 0.00 -2.33 0.00 0.00 43.42 40.44 1wcs n LEU 375 CO 0.47 1.96 0.59 0.40 -1.33 0.00 0.00 177.39 179.48 1wcs h ILE 376 N 2.60 1.32 0.59 -0.08 1.08 -1.76 -3.01 117.51 118.25 1wcs h ILE 376 Ca 0.54 -1.63 -0.03 0.00 -0.39 0.00 0.00 64.86 63.35 1wcs h ILE 376 Cb 0.37 1.71 0.01 0.00 -3.07 0.00 0.00 36.82 35.84 1wcs h ILE 376 CO 1.33 0.49 -0.28 1.23 -0.69 0.00 0.00 178.15 180.23 1wcs h GLY 377 N 1.22 -0.82 -0.47 5.37 0.00 -1.77 -3.19 103.07 103.41 1wcs h GLY 377 Ca 0.02 0.30 0.20 0.00 0.00 0.00 0.00 47.33 47.86 1wcs h GLY 377 CO 0.07 -0.30 1.04 0.83 0.00 0.00 0.00 176.54 178.18 1wcs h GLU 378 N -1.11 0.00 0.11 4.80 3.07 -1.87 -1.82 114.58 117.76 1wcs h GLU 378 Ca -0.08 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.48 1wcs h GLU 378 Cb 0.60 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 1wcs h GLU 378 CO 0.13 0.00 -1.53 1.25 -1.40 0.00 0.00 179.01 177.46 1wcs h LEU 379 N 0.00 0.38 -0.61 1.33 5.85 -1.51 -2.32 115.31 118.42 1wcs h LEU 379 Ca 0.33 -0.85 -0.12 0.00 0.84 0.00 0.00 57.88 58.08 1wcs h LEU 379 Cb 2.40 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 43.30 1wcs h LEU 379 CO -0.00 1.67 -0.25 -0.61 -0.34 0.00 0.00 178.44 178.90 1wcs h GLN 380 N -0.26 0.83 -0.56 1.25 4.15 -1.38 0.69 115.11 119.83 1wcs h GLN 380 Ca -0.33 -0.35 0.05 0.00 0.77 0.00 0.00 58.65 58.79 1wcs h GLN 380 Cb 1.80 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 29.41 1wcs h GLN 380 CO 0.05 0.99 0.29 1.25 -1.93 0.00 0.00 178.83 179.48 1wcs h LEU 381 N 0.71 0.40 0.90 -2.39 5.85 -1.47 0.17 115.31 119.49 1wcs h LEU 381 Ca 0.09 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1wcs h LEU 381 Cb 0.78 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.78 1wcs h LEU 381 CO 0.06 0.27 -0.47 0.24 -0.34 0.00 0.00 178.44 178.21 1wcs h MET 382 N 0.54 -1.21 -1.01 1.25 2.86 -0.80 -3.10 114.93 113.47 1wcs h MET 382 Ca 0.25 0.08 0.24 0.00 -2.06 0.00 0.00 59.70 58.21 1wcs h MET 382 Cb 0.17 0.27 -0.10 0.00 0.06 0.00 0.00 31.60 32.01 1wcs h MET 382 CO -0.18 -0.81 0.64 0.87 1.06 0.00 0.00 176.91 178.49 1wcs h LYS 383 N -1.25 0.48 0.32 1.72 1.57 0.78 -1.36 116.57 118.83 1wcs h LYS 383 Ca -0.12 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1wcs h LYS 383 Cb 0.97 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 1wcs h LYS 383 CO 0.18 0.32 -0.50 1.03 -0.57 0.00 0.00 179.45 179.91 1wcs h SER 384 N 0.50 -1.43 0.07 0.86 0.87 -0.66 -2.94 113.55 110.82 1wcs h SER 384 Ca 0.58 0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 61.19 1wcs h SER 384 Cb 1.29 0.50 -0.01 0.00 -0.44 0.00 0.00 62.40 63.73 1wcs h SER 384 CO -0.32 -0.59 -0.26 0.58 -0.53 0.00 0.00 176.83 175.71 1wcs h VAL 385 N -0.86 1.25 -0.25 2.23 2.07 -1.20 -2.35 116.25 117.14 1wcs h VAL 385 Ca -0.04 -1.18 0.06 0.00 0.82 0.00 0.00 66.70 66.36 1wcs h VAL 385 Cb 0.79 1.41 -0.08 0.00 -1.52 0.00 0.00 31.29 31.89 1wcs h VAL 385 CO -0.16 0.36 -0.38 0.58 0.02 0.00 0.00 177.57 178.00 1wcs h VAL 386 N 0.28 0.19 -0.28 2.57 2.07 -1.40 -1.69 116.25 117.99 1wcs h VAL 386 Ca 0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1wcs h VAL 386 Cb 0.61 0.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.49 1wcs h VAL 386 CO 0.04 0.00 -0.24 0.03 0.02 0.00 0.00 177.57 177.42 1wcs h ARG 387 N -0.38 -0.22 -0.65 1.57 3.08 -1.24 0.89 114.38 117.42 1wcs h ARG 387 Ca 0.12 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.25 1wcs h ARG 387 Cb 0.58 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.58 1wcs h ARG 387 CO -0.46 -0.15 -0.54 1.15 -1.07 0.00 0.00 179.97 178.90 1wcs h THR 388 N -0.23 0.01 0.68 2.04 2.02 -1.21 0.24 112.91 116.48 1wcs h THR 388 Ca 0.15 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 1wcs h THR 388 Cb 0.46 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1wcs h THR 388 CO -0.42 0.00 -0.34 -0.50 0.37 0.00 0.00 175.52 174.63 1wcs h TRP 389 N -0.23 -0.90 -0.71 3.16 6.55 -0.72 0.20 115.95 123.31 1wcs h TRP 389 Ca 0.13 -0.02 0.07 0.00 0.95 0.00 0.00 58.89 60.03 1wcs h TRP 389 Cb 0.53 0.30 -0.09 0.00 -0.86 0.00 0.00 29.16 29.04 1wcs h TRP 389 CO -0.83 -0.55 -0.38 1.63 -1.05 0.00 0.00 178.44 177.26 1wcs n LYS 390 N -5.50 -0.28 0.01 0.49 5.02 0.30 -0.65 118.16 117.56 1wcs n LYS 390 Ca -0.14 1.08 -0.17 0.00 -2.02 0.00 0.00 58.31 57.06 1wcs n LYS 390 Cb 0.39 -1.59 -0.14 0.00 -0.02 0.00 0.00 35.03 33.67 1wcs n LYS 390 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1wcs h GLU 391 N 0.00 0.20 -0.88 1.97 5.08 -0.46 -2.05 114.58 118.44 1wcs h GLU 391 Ca 0.15 -0.34 0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1wcs h GLU 391 Cb 0.32 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 1wcs h GLU 391 CO -0.68 1.01 0.57 1.49 -1.00 0.00 0.00 179.01 180.41 1wcs h GLU 392 N 0.05 0.86 0.42 2.33 4.57 -0.43 0.15 114.58 122.53 1wcs h GLU 392 Ca -0.35 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 57.76 1wcs h GLU 392 Cb 2.03 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 30.43 1wcs h GLU 392 CO 0.10 0.57 -0.20 -0.44 -1.18 0.00 0.00 179.01 177.86 1wcs h ASP 393 N 0.88 -0.48 -0.68 1.04 5.19 -0.91 -3.24 116.42 118.22 1wcs h ASP 393 Ca 0.41 -0.09 0.18 0.00 -0.62 0.00 0.00 57.03 56.91 1wcs h ASP 393 Cb 0.39 0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.99 1wcs h ASP 393 CO -0.17 -0.05 0.48 0.78 -3.12 0.00 0.00 179.24 177.15 1wcs h ASN 394 N -1.03 0.09 -0.73 6.45 2.35 -1.24 -1.72 115.58 119.75 1wcs h ASN 394 Ca -0.06 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 1wcs h ASN 394 Cb 0.54 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.86 1wcs h ASN 394 CO 0.09 0.04 0.32 -0.74 -1.65 0.00 0.00 177.43 175.50 1wcs h HIS 395 N 0.10 1.09 0.00 1.19 -0.00 -0.75 -3.09 115.15 113.69 1wcs h HIS 395 Ca 0.33 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 1wcs h HIS 395 Cb 1.16 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 28.24 1wcs h HIS 395 CO -0.00 0.82 -0.64 1.28 -0.00 0.00 0.00 177.93 179.39 1wcs n LEU 396 N -4.37 0.67 0.02 0.26 4.77 -0.70 -3.97 117.00 113.69 1wcs n LEU 396 Ca 0.06 0.20 0.13 0.00 -0.03 0.00 0.00 56.01 56.37 1wcs n LEU 396 Cb 0.16 -0.18 0.38 0.00 -2.33 0.00 0.00 43.42 41.45 1wcs n LEU 396 CO 0.40 -0.03 0.65 0.00 -1.33 0.00 0.00 177.39 177.07 1wcs n ALA 397 N -1.80 2.94 -2.16 -1.18 0.00 -0.90 -4.01 120.51 113.40 1wcs n ALA 397 Ca 0.03 -0.22 -0.23 0.00 0.00 0.00 0.00 53.44 53.02 1wcs n ALA 397 Cb 0.43 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 18.62 1wcs n ALA 397 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wcs n SER 398 N -1.64 4.69 -4.49 0.00 7.64 -1.21 -4.91 113.62 113.70 1wcs n SER 398 Ca 0.06 -3.65 -0.31 0.00 1.01 0.00 0.00 58.87 55.98 1wcs n SER 398 Cb 0.36 -0.37 -0.12 0.00 -1.01 0.00 0.00 64.21 63.06 1wcs n SER 398 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wcs s ILE 399 N -4.74 2.94 -0.25 0.44 1.01 -1.26 -5.07 121.20 114.27 1wcs s ILE 399 Ca 0.49 -1.19 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 1wcs s ILE 399 Cb 0.40 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 1wcs s ILE 399 CO -0.01 0.29 0.24 0.00 0.00 0.00 0.00 174.94 175.47 1wcs s THR 401 N 1.43 3.88 0.04 0.00 -4.23 -1.26 -5.04 115.64 110.45 1wcs s THR 401 Ca 0.11 -1.64 -0.30 0.00 -1.18 0.00 0.00 61.69 58.68 1wcs s THR 401 Cb -0.15 -3.06 -0.06 0.00 1.34 0.00 0.00 72.50 70.57 1wcs s THR 401 CO 0.07 -0.32 1.34 -2.84 -0.54 0.00 0.00 174.62 172.33 1wcs s PRO 402 N -3.61 4.33 -0.77 3.99 0.02 -1.26 -3.01 135.00 134.69 1wcs s PRO 402 Ca 0.31 1.92 -0.32 0.00 0.02 0.00 0.00 61.00 62.94 1wcs s PRO 402 Cb -0.07 -3.44 -0.17 0.00 0.02 0.00 0.00 34.50 30.83 1wcs s PRO 402 CO 0.22 -0.46 2.52 0.28 -0.33 0.00 0.00 177.00 179.23 1wcs n VAL 403 N 4.32 0.00 -1.62 3.83 0.31 -1.26 -4.39 118.33 119.52 1wcs n VAL 403 Ca 0.12 -0.19 -0.46 0.00 -0.01 0.00 0.00 64.34 63.80 1wcs n VAL 403 Cb 0.44 -1.09 -0.04 0.00 -0.91 0.00 0.00 33.84 32.23 1wcs n VAL 403 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1wcs n VAL 404 N 7.46 0.50 -1.92 2.52 0.31 -1.26 -4.81 118.33 121.13 1wcs n VAL 404 Ca 0.56 -0.24 -0.28 0.00 -0.01 0.00 0.00 64.34 64.37 1wcs n VAL 404 Cb 0.15 -2.15 -0.07 0.00 -0.91 0.00 0.00 33.84 30.86 1wcs n VAL 404 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1wcs n PRO 405 N 7.72 1.41 0.00 5.55 -0.02 -1.26 -5.08 135.00 143.32 1wcs n PRO 405 Ca 0.27 -2.32 0.00 0.00 -2.02 0.00 0.00 63.50 59.43 1wcs n PRO 405 Cb 0.36 -3.67 0.00 0.00 -0.02 0.00 0.00 33.50 30.16 1wcs n PRO 405 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wcs n ALA 406 N 14.38 1.69 0.35 3.55 0.00 -1.26 -5.34 120.51 133.87 1wcs n ALA 406 Ca 0.45 0.00 0.14 0.00 0.00 0.00 0.00 53.44 54.03 1wcs n ALA 406 Cb 0.46 0.17 0.58 0.00 0.00 0.00 0.00 19.45 20.66 1wcs n ALA 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wcs h ALA 413 N 0.00 1.00 -4.09 0.00 0.00 -2.04 -3.57 119.26 110.55 1wcs h ALA 413 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 1wcs h ALA 413 Cb 0.50 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.05 1wcs h ALA 413 CO 0.00 0.00 -0.83 0.00 0.00 0.00 0.00 179.25 178.42 1wcs n GLY 415 N 1.64 1.77 3.79 0.00 0.00 -1.16 -4.85 105.19 106.38 1wcs n GLY 415 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1wcs n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wcs s ALA 416 N -4.00 3.59 0.37 4.61 0.00 -1.26 -5.01 121.76 120.05 1wcs s ALA 416 Ca 0.00 -1.09 -0.25 0.00 0.00 0.00 0.00 51.96 50.62 1wcs s ALA 416 Cb 0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 23.12 21.60 1wcs s ALA 416 CO 0.00 0.65 1.02 0.00 0.00 0.00 0.00 175.76 177.43 1wcs s ALA 417 N -1.54 3.15 -0.62 0.00 0.00 -1.26 -4.64 121.76 116.85 1wcs s ALA 417 Ca 0.30 0.67 -0.28 0.00 0.00 0.00 0.00 51.96 52.65 1wcs s ALA 417 Cb -0.11 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1wcs s ALA 417 CO 0.23 -0.09 1.31 0.08 0.00 0.00 0.00 175.76 177.29 1wcs s VAL 418 N -1.60 3.84 0.14 0.00 1.01 -1.26 -4.95 120.40 117.58 1wcs s VAL 418 Ca 0.54 0.67 -0.30 0.00 0.00 0.00 0.00 61.98 62.89 1wcs s VAL 418 Cb -0.22 -4.66 -0.07 0.00 0.00 0.00 0.00 36.38 31.43 1wcs s VAL 418 CO 0.28 -1.41 1.16 -2.16 0.00 0.00 0.00 175.10 172.97 1wcs s PRO 419 N 5.42 4.51 0.00 2.72 0.04 -1.26 -4.58 135.00 141.84 1wcs s PRO 419 Ca 0.45 1.78 0.14 0.00 0.04 0.00 0.00 61.00 63.41 1wcs s PRO 419 Cb -0.09 -3.29 0.06 0.00 0.04 0.00 0.00 34.50 31.23 1wcs s PRO 419 CO 0.22 -0.09 0.88 0.25 0.04 0.00 0.00 177.00 178.30 1wcs n THR 420 N 2.94 0.00 -1.85 1.26 -2.24 -1.26 -4.79 114.28 108.34 1wcs n THR 420 Ca 0.05 -0.44 -0.37 0.00 -2.27 0.00 0.00 64.05 61.02 1wcs n THR 420 Cb 0.46 1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 69.90 1wcs n THR 420 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wcs s ALA 421 N -1.43 1.94 0.00 6.98 0.00 -1.26 -0.75 121.76 127.25 1wcs s ALA 421 Ca 0.15 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1wcs s ALA 421 Cb 0.12 -4.33 0.00 0.00 0.00 0.00 0.00 23.12 18.91 1wcs s ALA 421 CO 0.25 -4.15 0.00 0.41 0.00 0.00 0.00 175.76 172.28 1wcs n GLY 422 N 5.83 0.42 3.70 0.00 0.00 -1.26 -4.97 105.19 108.92 1wcs n GLY 422 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 1wcs n GLY 422 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wcs s LEU 423 N 0.00 4.38 -0.01 0.99 0.20 0.07 -1.72 118.68 122.60 1wcs s LEU 423 Ca 0.00 2.69 -0.04 0.00 0.69 0.00 0.00 54.13 57.47 1wcs s LEU 423 Cb 0.00 -3.57 -0.02 0.00 -0.43 0.00 0.00 46.19 42.16 1wcs s LEU 423 CO 0.00 -0.95 -0.09 0.52 -0.29 0.00 0.00 176.35 175.54 1wcs n VAL 424 N 4.50 0.99 -4.41 1.68 0.31 0.58 -4.68 118.33 117.30 1wcs n VAL 424 Ca 0.16 0.19 -0.21 0.00 -0.01 0.00 0.00 64.34 64.47 1wcs n VAL 424 Cb 0.38 -1.72 -0.10 0.00 -0.91 0.00 0.00 33.84 31.49 1wcs n VAL 424 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1wcs s GLY 425 N -4.55 1.69 -0.30 2.92 0.00 -0.91 -4.56 107.32 101.61 1wcs s GLY 425 Ca -0.08 -1.79 -0.05 0.00 0.00 0.00 0.00 44.72 42.80 1wcs s GLY 425 CO 0.12 -1.87 0.65 -0.12 0.00 0.00 0.00 173.10 171.88 1wcs s PHE 426 N -2.73 -1.44 -0.45 1.90 5.99 -1.26 -2.82 117.98 117.16 1wcs s PHE 426 Ca 0.27 1.79 -0.09 0.00 0.00 0.00 0.00 56.93 58.90 1wcs s PHE 426 Cb -0.03 0.60 0.10 0.00 0.00 0.00 0.00 43.02 43.70 1wcs s PHE 426 CO 0.11 -0.77 0.30 -0.51 -0.00 0.00 0.00 175.22 174.35 1wcs s LEU 427 N 2.86 5.46 0.00 6.12 1.43 -0.54 -1.14 118.68 132.87 1wcs s LEU 427 Ca 0.12 -1.77 0.00 0.00 -1.03 0.00 0.00 54.13 51.45 1wcs s LEU 427 Cb -0.14 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1wcs s LEU 427 CO -0.20 -0.62 0.00 -0.24 0.23 0.00 0.00 176.35 175.52 1wcs n SER 428 N 4.89 0.00 0.00 2.29 2.88 -1.26 -1.46 113.62 120.95 1wcs n SER 428 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1wcs n SER 428 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1wcs n SER 428 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1wcs n HIS 429 N 0.00 0.00 0.00 0.66 -0.00 -1.26 -3.79 115.22 110.83 1wcs n HIS 429 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1wcs n HIS 429 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1wcs n HIS 429 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1wcs n SER 430 N -0.02 0.00 -3.86 0.26 2.88 -1.26 -4.70 113.62 106.93 1wcs n SER 430 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 1wcs n SER 430 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1wcs n SER 430 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wcs s ALA 431 N 0.00 0.14 -0.20 -1.46 0.00 -1.26 -2.51 121.76 116.47 1wcs s ALA 431 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.97 1wcs s ALA 431 Cb 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.07 1wcs s ALA 431 CO 0.00 -0.02 0.12 1.21 0.00 0.00 0.00 175.76 177.08 1wcs s ASN 432 N 0.36 2.36 0.00 0.00 2.47 0.37 -4.95 114.94 115.56 1wcs s ASN 432 Ca -0.03 -0.66 0.00 0.00 0.42 0.00 0.00 52.86 52.59 1wcs s ASN 432 Cb -0.05 -0.14 0.00 0.00 -1.45 0.00 0.00 41.25 39.61 1wcs s ASN 432 CO -0.01 -0.36 0.00 0.61 -3.72 0.00 0.00 177.10 173.62 1wcs n GLY 433 N 5.28 0.25 0.09 1.21 0.00 -1.26 0.16 105.19 110.93 1wcs n GLY 433 Ca -0.06 0.68 0.08 0.00 0.00 0.00 0.00 46.02 46.71 1wcs n GLY 433 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wcs n SER 434 N 1.67 2.09 -3.70 1.61 3.41 -1.26 -4.91 113.62 112.53 1wcs n SER 434 Ca 0.00 -2.85 -0.23 0.00 -0.26 0.00 0.00 58.87 55.53 1wcs n SER 434 Cb 0.00 -0.35 -0.17 0.00 -0.26 0.00 0.00 64.21 63.42 1wcs n SER 434 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wcs s VAL 435 N -2.39 0.13 -0.65 -3.33 1.01 0.12 -0.11 120.40 115.19 1wcs s VAL 435 Ca 0.25 0.08 -0.27 0.00 0.00 0.00 0.00 61.98 62.04 1wcs s VAL 435 Cb 0.22 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 36.15 1wcs s VAL 435 CO 0.02 0.06 1.32 0.86 0.00 0.00 0.00 175.10 177.36 1wcs s TRP 436 N 2.06 2.33 0.25 5.22 -0.11 -1.19 0.14 118.94 127.65 1wcs s TRP 436 Ca 0.04 0.23 -0.30 0.00 1.22 0.00 0.00 56.10 57.29 1wcs s TRP 436 Cb -0.14 -4.52 -0.10 0.00 -1.50 0.00 0.00 33.47 27.22 1wcs s TRP 436 CO -0.06 -1.94 1.40 -1.21 -4.62 0.00 0.00 176.95 170.52 1wcs s GLU 437 N 5.56 4.30 0.17 5.86 0.41 -1.04 -2.79 118.70 131.17 1wcs s GLU 437 Ca 0.42 2.25 -0.31 0.00 -0.41 0.00 0.00 54.97 56.93 1wcs s GLU 437 Cb -0.09 -3.12 -0.09 0.00 -1.78 0.00 0.00 34.13 29.06 1wcs s GLU 437 CO 0.20 -0.36 1.37 0.34 -0.49 0.00 0.00 175.26 176.31 1wcs s ASP 438 N 0.26 6.83 0.00 -0.19 -1.08 -1.26 -4.59 116.67 116.64 1wcs s ASP 438 Ca 0.58 2.41 0.27 0.00 -0.52 0.00 0.00 52.55 55.29 1wcs s ASP 438 Cb -0.41 -2.60 1.38 0.00 -1.46 0.00 0.00 42.92 39.83 1wcs s ASP 438 CO 0.44 -0.61 1.93 0.52 0.52 0.00 0.00 175.17 177.96 1wcs n VAL 439 N 3.17 0.12 0.10 1.11 0.31 -0.30 -2.39 118.33 120.46 1wcs n VAL 439 Ca 0.09 0.03 0.01 0.00 -0.01 0.00 0.00 64.34 64.46 1wcs n VAL 439 Cb 0.42 -0.59 0.01 0.00 -0.91 0.00 0.00 33.84 32.77 1wcs n VAL 439 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1wcs n TYR 440 N -1.27 0.00 -0.97 3.52 4.02 -1.26 -4.79 117.16 116.42 1wcs n TYR 440 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 1wcs n TYR 440 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 1wcs n TYR 440 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1wcs n ARG 441 N -0.02 -0.46 0.00 -0.72 1.74 -1.00 -4.92 116.66 111.28 1wcs n ARG 441 Ca 0.01 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 1wcs n ARG 441 Cb 0.06 -3.48 0.00 0.00 -1.02 0.00 0.00 32.46 28.02 1wcs n ARG 441 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wcs s VAL 443 N -0.20 5.33 0.67 0.00 1.01 -1.26 -4.91 120.40 121.03 1wcs s VAL 443 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 1wcs s VAL 443 Cb 0.00 -3.53 0.08 0.00 0.00 0.00 0.00 36.38 32.93 1wcs s VAL 443 CO 0.00 0.31 0.93 -1.81 0.00 0.00 0.00 175.10 174.53 1wcs s ASP 444 N 1.26 4.72 0.15 3.32 1.11 -1.26 -4.37 116.67 121.60 1wcs s ASP 444 Ca 0.08 -0.04 0.11 0.00 0.18 0.00 0.00 52.55 52.88 1wcs s ASP 444 Cb -0.14 -0.56 -0.04 0.00 1.07 0.00 0.00 42.92 43.24 1wcs s ASP 444 CO 0.07 -1.59 -0.24 0.00 1.18 0.00 0.00 175.17 174.59 1wcs s ALA 445 N -3.06 2.51 -0.39 5.23 0.00 -1.12 -4.21 121.76 120.72 1wcs s ALA 445 Ca 0.62 -1.50 -0.00 0.00 0.00 0.00 0.00 51.96 51.08 1wcs s ALA 445 Cb -0.08 -0.43 0.11 0.00 0.00 0.00 0.00 23.12 22.71 1wcs s ALA 445 CO 0.43 0.51 0.16 -0.80 0.00 0.00 0.00 175.76 176.06 1wcs s ASN 446 N -2.29 5.07 0.22 0.00 0.01 -1.11 -3.13 114.94 113.71 1wcs s ASN 446 Ca 0.17 -2.11 -0.04 0.00 -0.71 0.00 0.00 52.86 50.17 1wcs s ASN 446 Cb -0.09 -1.76 -0.05 0.00 0.41 0.00 0.00 41.25 39.75 1wcs s ASN 446 CO 0.08 -0.48 0.46 -0.69 -1.51 0.00 0.00 177.10 174.97 1wcs s VAL 447 N 1.00 5.10 0.03 1.60 1.01 0.85 -2.55 120.40 127.45 1wcs s VAL 447 Ca 0.10 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1wcs s VAL 447 Cb -0.21 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1wcs s VAL 447 CO -0.05 -0.16 -0.10 0.00 0.00 0.00 0.00 175.10 174.79 1wcs s ALA 448 N -1.88 0.84 -1.46 5.51 0.00 -1.16 -4.70 121.76 118.92 1wcs s ALA 448 Ca 0.42 -0.71 -0.10 0.00 0.00 0.00 0.00 51.96 51.57 1wcs s ALA 448 Cb -0.11 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 22.96 1wcs s ALA 448 CO 0.27 0.12 0.95 0.09 0.00 0.00 0.00 175.76 177.20 1wcs n ASN 449 N 1.91 -5.55 -4.98 0.00 3.02 -1.26 -1.96 115.26 106.43 1wcs n ASN 449 Ca -0.19 -0.57 -0.20 0.00 -0.03 0.00 0.00 54.58 53.59 1wcs n ASN 449 Cb 0.55 -4.42 -0.01 0.00 -0.61 0.00 0.00 39.78 35.30 1wcs n ASN 449 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wcs s ALA 450 N -3.25 4.16 -0.24 5.41 0.00 -1.26 0.42 121.76 126.99 1wcs s ALA 450 Ca 0.56 -1.39 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 1wcs s ALA 450 Cb -0.26 -1.73 0.07 0.00 0.00 0.00 0.00 23.12 21.20 1wcs s ALA 450 CO 0.69 -0.03 0.59 -2.00 0.00 0.00 0.00 175.76 175.01 1wcs s GLU 451 N -4.18 0.60 0.42 0.00 2.12 -0.46 -4.89 118.70 112.30 1wcs s GLU 451 Ca 0.44 1.08 -0.24 0.00 0.36 0.00 0.00 54.97 56.60 1wcs s GLU 451 Cb -0.09 0.08 -0.08 0.00 0.26 0.00 0.00 34.13 34.30 1wcs s GLU 451 CO 0.31 -0.15 1.13 1.03 -0.54 0.00 0.00 175.26 177.04 1wcs s ARG 452 N 1.56 4.00 0.04 4.30 0.52 -1.26 -0.17 118.95 127.94 1wcs s ARG 452 Ca -0.10 1.71 -0.00 0.00 -0.52 0.00 0.00 55.73 56.82 1wcs s ARG 452 Cb -0.06 -2.55 -0.03 0.00 0.52 0.00 0.00 34.95 32.83 1wcs s ARG 452 CO -0.17 -0.33 -0.03 0.14 0.02 0.00 0.00 175.30 174.92 1wcs s VAL 453 N -1.54 0.23 -0.78 3.52 -7.23 -1.12 -4.87 120.40 108.61 1wcs s VAL 453 Ca 0.59 -1.48 -0.28 0.00 -1.81 0.00 0.00 61.98 59.00 1wcs s VAL 453 Cb -0.27 -1.07 -0.18 0.00 0.56 0.00 0.00 36.38 35.42 1wcs s VAL 453 CO 0.34 -0.80 2.20 -2.65 -0.31 0.00 0.00 175.10 173.88 1wcs n PRO 454 N 0.66 0.00 -0.80 4.82 -0.02 -1.26 -0.37 135.00 138.04 1wcs n PRO 454 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1wcs n PRO 454 Cb 0.59 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 1wcs n PRO 454 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1wcs n ASN 455 N 8.47 -1.44 0.00 2.55 3.02 -1.26 -4.91 115.26 121.68 1wcs n ASN 455 Ca 0.54 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 1wcs n ASN 455 Cb 0.02 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 1wcs n ASN 455 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wcs n GLY 456 N -2.48 3.32 2.88 7.41 0.00 0.51 -1.55 105.19 115.28 1wcs n GLY 456 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 1wcs n GLY 456 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wcs s LEU 457 N 0.00 1.23 -0.23 0.99 1.43 -0.74 -2.79 118.68 118.57 1wcs s LEU 457 Ca 0.00 0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 53.15 1wcs s LEU 457 Cb 0.00 0.17 -0.05 0.00 0.03 0.00 0.00 46.19 46.34 1wcs s LEU 457 CO 0.00 -0.09 0.15 -0.75 0.23 0.00 0.00 176.35 175.88 1wcs s LYS 458 N 0.70 4.05 -0.30 1.70 2.20 0.76 -2.53 119.74 126.32 1wcs s LYS 458 Ca -0.06 -0.28 -0.11 0.00 -0.36 0.00 0.00 55.97 55.16 1wcs s LYS 458 Cb -0.08 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 1wcs s LYS 458 CO -0.03 0.08 0.20 -0.06 -0.36 0.00 0.00 175.35 175.18 1wcs s PHE 459 N 0.99 3.21 -0.28 4.03 0.40 -1.01 -1.35 117.98 123.97 1wcs s PHE 459 Ca 0.07 -0.06 -0.03 0.00 -0.60 0.00 0.00 56.93 56.31 1wcs s PHE 459 Cb -0.13 -2.40 0.11 0.00 0.51 0.00 0.00 43.02 41.10 1wcs s PHE 459 CO 0.04 -0.26 0.17 1.21 0.70 0.00 0.00 175.22 177.09 1wcs s ASN 460 N 1.73 2.92 0.00 1.36 3.84 0.17 -4.24 114.94 120.71 1wcs s ASN 460 Ca 0.07 -1.08 0.00 0.00 0.21 0.00 0.00 52.86 52.06 1wcs s ASN 460 Cb -0.16 -0.09 0.00 0.00 -0.55 0.00 0.00 41.25 40.44 1wcs s ASN 460 CO 0.10 -0.42 0.00 0.61 -2.79 0.00 0.00 177.10 174.60 1wcs n GLY 461 N 5.27 0.80 3.70 1.21 0.00 -1.26 -4.79 105.19 110.12 1wcs n GLY 461 Ca -0.05 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 1wcs n GLY 461 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wcs s VAL 462 N -1.41 4.92 -0.63 1.61 1.01 -1.26 -4.14 120.40 120.50 1wcs s VAL 462 Ca 0.00 1.81 -0.01 0.00 0.00 0.00 0.00 61.98 63.78 1wcs s VAL 462 Cb 0.00 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1wcs s VAL 462 CO 0.00 0.16 0.53 0.61 0.00 0.00 0.00 175.10 176.40 1wcs n GLY 463 N 3.05 -0.05 2.78 4.51 0.00 -1.19 -4.96 105.19 109.34 1wcs n GLY 463 Ca 0.04 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1wcs n GLY 463 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wcs s GLY 464 N -3.61 0.56 0.00 -0.02 0.00 -1.25 -4.65 107.32 98.36 1wcs s GLY 464 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.49 1wcs s GLY 464 CO 0.40 1.16 0.00 0.61 0.00 0.00 0.00 173.10 175.27 1wcs n GLY 465 N 5.10 1.13 3.67 0.20 0.00 -0.83 -3.34 105.19 111.13 1wcs n GLY 465 Ca -0.08 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 1wcs n GLY 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wcs s ALA 466 N -2.00 3.51 -0.88 4.61 0.00 0.69 -2.98 121.76 124.71 1wcs s ALA 466 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.76 1wcs s ALA 466 Cb 0.00 -3.03 0.22 0.00 0.00 0.00 0.00 23.12 20.31 1wcs s ALA 466 CO 0.00 -0.51 0.79 0.08 0.00 0.00 0.00 175.76 176.12 1wcs s VAL 467 N 1.80 4.88 -1.02 0.00 1.01 -1.06 -2.33 120.40 123.68 1wcs s VAL 467 Ca 0.32 -3.29 -0.18 0.00 0.00 0.00 0.00 61.98 58.83 1wcs s VAL 467 Cb -0.16 -4.02 0.12 0.00 0.00 0.00 0.00 36.38 32.32 1wcs s VAL 467 CO 0.12 -1.06 1.28 0.86 0.00 0.00 0.00 175.10 176.31 1wcs s TRP 468 N -0.75 3.06 0.45 5.22 -0.00 -1.05 -2.77 118.94 123.11 1wcs s TRP 468 Ca 0.24 -1.45 -0.25 0.00 -0.00 0.00 0.00 56.10 54.64 1wcs s TRP 468 Cb -0.11 -4.39 -0.08 0.00 -0.00 0.00 0.00 33.47 28.89 1wcs s TRP 468 CO -0.09 -1.57 1.32 -2.14 -0.00 0.00 0.00 176.95 174.47 1wcs s PRO 469 N 2.99 3.71 0.10 5.86 0.02 -1.26 -2.04 135.00 144.37 1wcs s PRO 469 Ca 0.38 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.58 1wcs s PRO 469 Cb -0.03 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.91 1wcs s PRO 469 CO -0.07 -0.72 0.00 0.28 -0.33 0.00 0.00 177.00 176.17 1wcs n VAL 470 N -0.27 0.78 -0.07 3.83 0.31 -0.70 -4.73 118.33 117.49 1wcs n VAL 470 Ca 0.06 0.26 -0.10 0.00 -0.01 0.00 0.00 64.34 64.55 1wcs n VAL 470 Cb 0.44 -1.26 -0.15 0.00 -0.91 0.00 0.00 33.84 31.96 1wcs n VAL 470 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wcs n ALA 471 N -3.26 1.49 0.58 3.52 0.00 -0.16 -3.92 120.51 118.75 1wcs n ALA 471 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1wcs n ALA 471 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1wcs n ALA 471 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wcs n ARG 472 N -2.88 0.58 0.04 0.00 1.74 -0.47 -2.35 116.66 113.32 1wcs n ARG 472 Ca -0.27 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 56.92 1wcs n ARG 472 Cb 1.11 -1.22 -0.06 0.00 -1.02 0.00 0.00 32.46 31.27 1wcs n ARG 472 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1wcs n GLN 473 N 0.67 0.53 0.00 5.56 6.02 -1.26 -4.80 117.38 124.10 1wcs n GLN 473 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1wcs n GLN 473 Cb 0.28 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.90 1wcs n GLN 473 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wcs n GLY 474 N 1.27 -1.89 0.00 1.08 0.00 -0.99 -4.61 105.19 100.04 1wcs n GLY 474 Ca -0.01 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.24 1wcs n GLY 474 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wcs n GLN 475 N -0.01 0.00 -3.59 1.61 7.27 -1.26 -3.33 117.38 118.06 1wcs n GLN 475 Ca 0.00 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.67 1wcs n GLN 475 Cb 0.00 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.55 1wcs n GLN 475 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1wcs s THR 476 N -4.19 4.32 -1.15 1.69 2.01 -1.26 -4.29 115.64 112.77 1wcs s THR 476 Ca 0.00 -1.30 -0.12 0.00 0.31 0.00 0.00 61.69 60.57 1wcs s THR 476 Cb 0.00 -3.61 0.21 0.00 0.01 0.00 0.00 72.50 69.12 1wcs s THR 476 CO 0.00 -0.47 1.27 -0.13 -0.69 0.00 0.00 174.62 174.60 1wcs s ARG 477 N 1.45 4.10 0.52 4.92 0.52 -0.61 -4.76 118.95 125.10 1wcs s ARG 477 Ca 0.03 -2.80 0.28 0.00 -0.52 0.00 0.00 55.73 52.71 1wcs s ARG 477 Cb -0.22 -4.84 1.46 0.00 0.52 0.00 0.00 34.95 31.87 1wcs s ARG 477 CO 0.03 -1.54 2.07 0.00 0.02 0.00 0.00 175.30 175.88 1wcs h ARG 478 N 7.04 0.00 -0.48 3.54 3.08 -1.83 -2.18 114.38 123.56 1wcs h ARG 478 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1wcs h ARG 478 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.93 1wcs h ARG 478 CO 1.13 0.11 0.00 0.66 -1.07 0.00 0.00 179.97 180.81 1wcs n TYR 479 N -3.62 0.91 -0.30 3.04 0.53 -1.25 -4.66 117.16 111.81 1wcs n TYR 479 Ca -0.02 -0.59 0.15 0.00 -1.02 0.00 0.00 57.90 56.43 1wcs n TYR 479 Cb 0.24 -0.13 0.30 0.00 -1.03 0.00 0.00 39.34 38.72 1wcs n TYR 479 CO 0.00 0.00 0.00 0.94 -1.02 0.00 0.00 176.86 176.78 1wcs n GLN 480 N 0.71 -0.07 -0.59 -0.72 -0.06 -0.82 -0.68 117.38 115.16 1wcs n GLN 480 Ca 0.19 1.31 0.46 0.00 -2.00 0.00 0.00 57.00 56.97 1wcs n GLN 480 Cb 0.66 -2.12 0.76 0.00 -4.06 0.00 0.00 30.24 25.48 1wcs n GLN 480 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 1wcs h PHE 481 N 0.00 0.22 -0.64 3.69 -0.00 -1.79 -1.76 116.94 116.65 1wcs h PHE 481 Ca 0.57 0.01 0.11 0.00 -0.00 0.00 0.00 57.97 58.66 1wcs h PHE 481 Cb 1.23 -0.05 -0.04 0.00 -0.00 0.00 0.00 35.95 37.09 1wcs h PHE 481 CO -0.39 -0.11 0.43 0.00 -0.00 0.00 0.00 178.31 178.24 1wcs h ALA 482 N 1.28 2.02 0.00 12.09 0.00 -1.02 -1.39 119.26 132.24 1wcs h ALA 482 Ca 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.79 1wcs h ALA 482 Cb 3.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 20.97 1wcs h ALA 482 CO -0.20 -0.17 0.00 0.09 0.00 0.00 0.00 179.25 178.97 1wcs n ASN 483 N -4.47 0.00 0.00 0.00 3.02 -0.66 -3.16 115.26 109.98 1wcs n ASN 483 Ca 0.11 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 1wcs n ASN 483 Cb 0.40 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 1wcs n ASN 483 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wcs n TYR 484 N -1.28 0.00 -3.57 3.10 9.36 -0.54 -4.43 117.16 119.79 1wcs n TYR 484 Ca 0.03 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.11 1wcs n TYR 484 Cb 0.06 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.71 1wcs n TYR 484 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 1wcs s ARG 485 N -1.98 0.81 0.12 2.98 1.70 -1.11 -3.90 118.95 117.57 1wcs s ARG 485 Ca 0.00 0.42 -0.26 0.00 -0.47 0.00 0.00 55.73 55.43 1wcs s ARG 485 Cb 0.00 0.39 0.07 0.00 -0.57 0.00 0.00 34.95 34.84 1wcs s ARG 485 CO 0.00 -0.21 0.99 -0.59 -1.08 0.00 0.00 175.30 174.41 1wcs s PHE 486 N -0.65 -0.14 -0.23 5.89 -0.12 -0.17 -3.92 117.98 118.64 1wcs s PHE 486 Ca -0.04 -0.14 -0.04 0.00 -0.05 0.00 0.00 56.93 56.66 1wcs s PHE 486 Cb -0.02 0.62 0.09 0.00 -0.63 0.00 0.00 43.02 43.09 1wcs s PHE 486 CO 0.04 -0.75 0.17 0.99 -0.05 0.00 0.00 175.22 175.62 1wcs s THR 487 N -3.18 -0.19 -0.15 -4.49 2.01 -0.96 -0.87 115.64 107.81 1wcs s THR 487 Ca 0.12 -0.37 -0.15 0.00 0.31 0.00 0.00 61.69 61.60 1wcs s THR 487 Cb -0.01 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 1wcs s THR 487 CO 0.01 -0.42 0.36 -0.22 -0.69 0.00 0.00 174.62 173.66 1wcs s LEU 488 N 2.21 4.25 0.09 4.42 2.96 0.64 -1.81 118.68 131.44 1wcs s LEU 488 Ca 0.06 0.61 0.10 0.00 -0.22 0.00 0.00 54.13 54.68 1wcs s LEU 488 Cb -0.16 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 1wcs s LEU 488 CO -0.21 0.05 -0.25 -0.69 -1.32 0.00 0.00 176.35 173.92 1wcs s VAL 489 N 0.59 2.09 -0.17 1.68 1.01 -0.85 -0.49 120.40 124.27 1wcs s VAL 489 Ca 0.20 -1.55 -0.28 0.00 0.00 0.00 0.00 61.98 60.35 1wcs s VAL 489 Cb -0.14 -1.83 0.07 0.00 0.00 0.00 0.00 36.38 34.48 1wcs s VAL 489 CO 0.06 0.18 0.70 0.00 0.00 0.00 0.00 175.10 176.05 1wcs s ALA 490 N -0.96 -1.78 -0.05 5.51 0.00 -0.69 -1.80 121.76 121.99 1wcs s ALA 490 Ca 0.12 1.71 -0.09 0.00 0.00 0.00 0.00 51.96 53.70 1wcs s ALA 490 Cb -0.10 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 1wcs s ALA 490 CO 0.04 -0.35 0.24 0.99 0.00 0.00 0.00 175.76 176.68 1wcs s THR 491 N -0.33 5.33 -0.04 0.00 2.01 -0.86 -0.44 115.64 121.31 1wcs s THR 491 Ca -0.05 0.34 -0.01 0.00 0.31 0.00 0.00 61.69 62.28 1wcs s THR 491 Cb -0.03 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 68.99 1wcs s THR 491 CO 0.05 0.53 0.09 0.68 -0.69 0.00 0.00 174.62 175.28 1wcs s VAL 492 N -1.12 -0.05 -0.15 3.82 -7.23 0.04 -1.77 120.40 113.93 1wcs s VAL 492 Ca 0.21 0.20 -0.05 0.00 -1.81 0.00 0.00 61.98 60.53 1wcs s VAL 492 Cb -0.13 -0.16 -0.03 0.00 0.56 0.00 0.00 36.38 36.61 1wcs s VAL 492 CO 0.10 0.08 0.01 0.42 -0.31 0.00 0.00 175.10 175.40 1wcs s THR 493 N 1.12 4.35 -0.20 5.32 -4.23 -0.44 -1.79 115.64 119.77 1wcs s THR 493 Ca -0.09 -0.20 -0.18 0.00 -1.18 0.00 0.00 61.69 60.04 1wcs s THR 493 Cb -0.12 -2.92 -0.03 0.00 1.34 0.00 0.00 72.50 70.77 1wcs s THR 493 CO -0.05 0.50 0.50 -0.63 -0.54 0.00 0.00 174.62 174.41 1wcs s ILE 494 N 0.13 5.12 -0.21 2.99 1.01 -1.26 -0.01 121.20 128.97 1wcs s ILE 494 Ca 0.02 0.92 -0.19 0.00 0.00 0.00 0.00 60.65 61.39 1wcs s ILE 494 Cb -0.13 -3.82 -0.16 0.00 0.01 0.00 0.00 42.46 38.35 1wcs s ILE 494 CO 0.02 0.20 0.11 0.47 0.00 0.00 0.00 174.94 175.73 1wcs n ASP 495 N 4.68 1.86 -3.93 3.58 8.00 0.80 -0.45 116.55 131.09 1wcs n ASP 495 Ca -0.05 0.44 -0.14 0.00 0.71 0.00 0.00 54.79 55.74 1wcs n ASP 495 Cb 0.51 -0.94 -0.14 0.00 -0.02 0.00 0.00 41.12 40.53 1wcs n ASP 495 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1wcs s GLU 496 N -2.37 0.25 0.14 -1.24 2.02 -1.21 -4.81 118.70 111.49 1wcs s GLU 496 Ca -0.28 -0.15 -0.31 0.00 0.02 0.00 0.00 54.97 54.25 1wcs s GLU 496 Cb 0.06 -0.22 -0.11 0.00 0.10 0.00 0.00 34.13 33.96 1wcs s GLU 496 CO 0.54 0.06 1.83 1.28 0.02 0.00 0.00 175.26 178.98 1wcs n LEU 497 N 2.90 4.05 -4.55 1.80 4.77 -1.26 -4.62 117.00 120.09 1wcs n LEU 497 Ca -0.13 1.00 -0.31 0.00 -0.03 0.00 0.00 56.01 56.53 1wcs n LEU 497 Cb 0.59 -1.55 0.18 0.00 -2.33 0.00 0.00 43.42 40.30 1wcs n LEU 497 CO 0.25 0.18 0.38 -0.81 -1.33 0.00 0.00 177.39 176.07 1wcs n PRO 498 N 5.42 -0.90 -0.13 3.23 -0.04 -1.26 -4.95 135.00 136.37 1wcs n PRO 498 Ca 0.18 -0.21 -0.11 0.00 -0.04 0.00 0.00 63.50 63.32 1wcs n PRO 498 Cb 0.37 -2.17 -0.02 0.00 -0.04 0.00 0.00 33.50 31.64 1wcs n PRO 498 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1wcs h LYS 499 N -2.00 0.69 0.00 0.54 3.64 -1.93 -3.42 116.57 114.10 1wcs h LYS 499 Ca -0.47 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 1wcs h LYS 499 Cb 1.29 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1wcs h LYS 499 CO 0.41 0.81 0.00 0.41 -2.27 0.00 0.00 179.45 178.81 1wcs n GLY 500 N -0.28 -0.51 3.09 5.01 0.00 -1.26 -4.90 105.19 106.34 1wcs n GLY 500 Ca -0.01 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1wcs n GLY 500 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wcs s THR 501 N -0.65 0.57 -0.25 2.61 2.01 -1.26 -1.91 115.64 116.75 1wcs s THR 501 Ca 0.00 -1.32 -0.11 0.00 0.31 0.00 0.00 61.69 60.57 1wcs s THR 501 Cb 0.00 -0.91 0.10 0.00 0.01 0.00 0.00 72.50 71.70 1wcs s THR 501 CO 0.00 -0.53 0.57 -0.55 -0.69 0.00 0.00 174.62 173.42 1wcs s SER 502 N -2.00 -0.80 1.06 3.53 0.15 -1.02 -5.00 113.70 109.63 1wcs s SER 502 Ca -0.04 1.33 -0.12 0.00 0.70 0.00 0.00 55.95 57.82 1wcs s SER 502 Cb -0.06 1.59 0.23 0.00 -1.71 0.00 0.00 66.02 66.07 1wcs s SER 502 CO -0.01 -0.22 1.07 -2.16 1.20 0.00 0.00 173.24 173.11 1wcs s PRO 503 N 2.24 -0.14 0.00 5.44 0.04 -1.26 -2.79 135.00 138.53 1wcs s PRO 503 Ca -0.07 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1wcs s PRO 503 Cb -0.09 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1wcs s PRO 503 CO -0.17 -3.25 0.00 -0.11 0.04 0.00 0.00 177.00 173.51 1wcs n LEU 504 N -4.61 0.00 -3.98 -3.56 7.94 -1.19 -4.39 117.00 107.21 1wcs n LEU 504 Ca 0.06 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.69 1wcs n LEU 504 Cb 0.54 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.32 1wcs n LEU 504 CO 0.55 -0.13 -0.46 -0.22 -1.11 0.00 0.00 177.39 176.01 1wcs s LEU 505 N -2.80 1.47 0.00 -1.96 2.96 -1.13 -1.58 118.68 115.65 1wcs s LEU 505 Ca 0.00 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 1wcs s LEU 505 Cb 0.00 -0.90 0.00 0.00 0.50 0.00 0.00 46.19 45.79 1wcs s LEU 505 CO 0.00 -0.04 0.00 0.61 -1.32 0.00 0.00 176.35 175.60 1wcs n GLY 506 N 4.42 -0.96 2.99 7.98 0.00 -1.22 -1.26 105.19 117.13 1wcs n GLY 506 Ca -0.18 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 1wcs n GLY 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wcs s ALA 507 N -1.00 1.83 0.21 4.61 0.00 -0.27 -1.86 121.76 125.28 1wcs s ALA 507 Ca 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 1wcs s ALA 507 Cb 0.00 -1.13 -0.07 0.00 0.00 0.00 0.00 23.12 21.92 1wcs s ALA 507 CO 0.00 -0.58 0.53 0.20 0.00 0.00 0.00 175.76 175.91 1wcs s GLY 508 N 1.49 2.30 0.57 0.00 0.00 -1.18 -1.02 107.32 109.48 1wcs s GLY 508 Ca 0.02 -0.29 0.09 0.00 0.00 0.00 0.00 44.72 44.55 1wcs s GLY 508 CO -0.09 -0.13 0.73 1.08 0.00 0.00 0.00 173.10 174.68 1wcs s LEU 509 N -2.68 3.03 0.20 0.66 1.43 0.12 0.17 118.68 121.61 1wcs s LEU 509 Ca 0.45 -0.92 0.08 0.00 -1.03 0.00 0.00 54.13 52.71 1wcs s LEU 509 Cb -0.12 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1wcs s LEU 509 CO 0.21 -1.31 0.02 -1.61 0.23 0.00 0.00 176.35 173.89 1wcs s GLU 510 N -4.61 2.43 0.00 1.70 0.41 -1.11 -4.35 118.70 113.18 1wcs s GLU 510 Ca 0.57 -1.17 0.00 0.00 -0.41 0.00 0.00 54.97 53.96 1wcs s GLU 510 Cb -0.05 -2.33 0.00 0.00 -1.78 0.00 0.00 34.13 29.97 1wcs s GLU 510 CO 0.36 0.43 0.00 0.41 -0.49 0.00 0.00 175.26 175.97 1wcs n GLY 511 N -0.39 0.86 3.82 -1.39 0.00 -1.26 -4.97 105.19 101.86 1wcs n GLY 511 Ca -0.09 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 1wcs n GLY 511 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wcs s PRO 512 N 0.00 4.22 6.92 1.61 0.05 -1.26 -4.92 135.00 141.62 1wcs s PRO 512 Ca 0.00 0.83 0.00 0.00 0.05 0.00 0.00 61.00 61.88 1wcs s PRO 512 Cb 0.00 -2.89 0.00 0.00 0.05 0.00 0.00 34.50 31.66 1wcs s PRO 512 CO 0.00 0.41 0.00 0.41 0.05 0.00 0.00 177.00 177.87 1wcs n GLY 513 N 0.75 2.77 2.51 0.56 0.00 -1.26 -4.18 105.19 106.34 1wcs n GLY 513 Ca -0.03 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 1wcs n GLY 513 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wcs n ASP 514 N 4.16 -0.36 -4.81 1.61 4.64 -1.26 -5.08 116.55 115.45 1wcs n ASP 514 Ca 0.00 -3.07 -0.33 0.00 -1.38 0.00 0.00 54.79 50.00 1wcs n ASP 514 Cb 0.00 0.37 -0.04 0.00 -1.04 0.00 0.00 41.12 40.41 1wcs n ASP 514 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1wcs s ALA 515 N -1.41 2.93 0.05 -1.67 0.00 -1.26 -4.89 121.76 115.51 1wcs s ALA 515 Ca 0.30 0.50 0.07 0.00 0.00 0.00 0.00 51.96 52.83 1wcs s ALA 515 Cb 0.36 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 1wcs s ALA 515 CO -0.05 -0.20 -0.20 0.15 0.00 0.00 0.00 175.76 175.46 1wcs s LYS 516 N -3.33 1.34 -0.05 0.00 1.02 -1.26 0.14 119.74 117.60 1wcs s LYS 516 Ca 0.65 -0.94 -0.07 0.00 0.02 0.00 0.00 55.97 55.63 1wcs s LYS 516 Cb -0.14 -1.46 -0.04 0.00 -0.52 0.00 0.00 37.83 35.68 1wcs s LYS 516 CO 0.20 0.37 0.34 1.25 -0.92 0.00 0.00 175.35 176.58 1wcs h LEU 517 N 4.83 -0.21 -8.23 3.17 5.85 -1.37 -3.36 115.31 115.98 1wcs h LEU 517 Ca -0.42 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.12 1wcs h LEU 517 Cb 1.16 0.06 -0.17 0.00 0.37 0.00 0.00 40.66 42.08 1wcs h LEU 517 CO 0.44 0.15 -0.70 -0.22 -0.34 0.00 0.00 178.44 177.77 1wcs s LEU 518 N -7.83 2.41 0.00 2.25 2.96 -1.24 -1.27 118.68 115.95 1wcs s LEU 518 Ca -0.04 -0.83 0.00 0.00 -0.22 0.00 0.00 54.13 53.04 1wcs s LEU 518 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 46.19 46.74 1wcs s LEU 518 CO 0.11 -0.44 0.00 0.61 -1.32 0.00 0.00 176.35 175.31 1wcs n GLY 519 N 0.58 0.69 2.53 7.98 0.00 -0.92 -1.11 105.19 114.94 1wcs n GLY 519 Ca -0.17 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 1wcs n GLY 519 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wcs s LEU 520 N 0.00 0.65 0.00 0.99 2.96 -0.39 -0.16 118.68 122.72 1wcs s LEU 520 Ca 0.00 -1.45 -0.07 0.00 -0.22 0.00 0.00 54.13 52.38 1wcs s LEU 520 Cb 0.00 -0.37 0.14 0.00 0.50 0.00 0.00 46.19 46.47 1wcs s LEU 520 CO 0.00 -0.42 0.90 -1.20 -1.32 0.00 0.00 176.35 174.31 1wcs n SER 521 N 5.03 0.48 -3.87 3.68 7.64 0.13 -2.82 113.62 123.89 1wcs n SER 521 Ca -0.03 -1.57 -0.11 0.00 1.01 0.00 0.00 58.87 58.17 1wcs n SER 521 Cb 0.41 -0.65 -0.11 0.00 -1.01 0.00 0.00 64.21 62.85 1wcs n SER 521 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1wcs s TYR 522 N -2.80 -0.01 0.41 1.43 -0.85 -1.12 -1.81 117.35 112.60 1wcs s TYR 522 Ca 0.54 0.01 0.08 0.00 -0.52 0.00 0.00 57.07 57.17 1wcs s TYR 522 Cb -0.02 -0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.26 1wcs s TYR 522 CO 0.37 -0.19 0.29 0.16 -1.52 0.00 0.00 175.55 174.66 1wcs s ASP 523 N -0.83 4.79 0.00 -0.18 1.47 -1.17 -2.44 116.67 118.30 1wcs s ASP 523 Ca -0.09 -0.88 0.20 0.00 1.18 0.00 0.00 52.55 52.96 1wcs s ASP 523 Cb -0.05 -0.54 1.18 0.00 -0.34 0.00 0.00 42.92 43.17 1wcs s ASP 523 CO 0.01 -0.60 1.59 2.29 0.68 0.00 0.00 175.17 179.14 1wcs n LYS 524 N -1.41 0.69 -0.29 2.11 2.85 -0.80 -3.19 118.16 118.13 1wcs n LYS 524 Ca 0.01 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.39 1wcs n LYS 524 Cb 0.63 -1.45 0.28 0.00 -0.65 0.00 0.00 35.03 33.84 1wcs n LYS 524 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1wcs n ASN 525 N -0.95 3.56 -2.85 -5.58 3.02 -1.26 -4.91 115.26 106.29 1wcs n ASN 525 Ca 0.15 -1.99 -0.16 0.00 -0.03 0.00 0.00 54.58 52.56 1wcs n ASN 525 Cb 0.07 -0.38 0.06 0.00 -0.61 0.00 0.00 39.78 38.93 1wcs n ASN 525 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1wcs n ARG 526 N 1.48 -5.56 -4.40 3.52 1.74 -1.19 -5.03 116.66 107.22 1wcs n ARG 526 Ca 0.22 0.64 -0.20 0.00 -0.77 0.00 0.00 57.85 57.73 1wcs n ARG 526 Cb 0.59 -5.07 -0.10 0.00 -1.02 0.00 0.00 32.46 26.85 1wcs n ARG 526 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1wcs s GLN 527 N -5.51 1.49 -0.05 5.56 -0.21 -1.26 -2.94 119.66 116.74 1wcs s GLN 527 Ca 0.22 -1.72 -0.16 0.00 0.02 0.00 0.00 55.36 53.72 1wcs s GLN 527 Cb -0.10 -1.16 -0.05 0.00 1.00 0.00 0.00 33.01 32.70 1wcs s GLN 527 CO 0.56 0.09 0.41 -1.58 -2.12 0.00 0.00 175.29 172.65 1wcs s TRP 528 N -2.99 3.64 -0.69 0.91 0.23 0.31 -3.06 118.94 117.29 1wcs s TRP 528 Ca 0.27 0.93 -0.00 0.00 -2.03 0.00 0.00 56.10 55.27 1wcs s TRP 528 Cb 0.02 -2.36 0.17 0.00 0.03 0.00 0.00 33.47 31.33 1wcs s TRP 528 CO 0.10 0.48 0.51 1.03 0.96 0.00 0.00 176.95 180.03 1wcs s ARG 529 N -0.47 2.66 -0.35 4.98 1.81 -0.75 -2.19 118.95 124.65 1wcs s ARG 529 Ca 0.24 -2.87 -0.27 0.00 -1.72 0.00 0.00 55.73 51.10 1wcs s ARG 529 Cb -0.16 -3.68 0.02 0.00 -0.45 0.00 0.00 34.95 30.67 1wcs s ARG 529 CO 0.12 -1.21 1.00 -1.25 -0.68 0.00 0.00 175.30 173.28 1wcs s PRO 530 N -0.66 3.96 -0.15 3.54 0.04 -1.26 0.19 135.00 140.65 1wcs s PRO 530 Ca 0.21 0.82 -0.18 0.00 0.04 0.00 0.00 61.00 61.89 1wcs s PRO 530 Cb -0.15 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.58 1wcs s PRO 530 CO -0.07 -0.93 0.47 -0.51 0.04 0.00 0.00 177.00 176.00 1wcs s LEU 531 N 3.57 4.23 -0.70 -3.56 1.43 0.77 -4.31 118.68 120.11 1wcs s LEU 531 Ca 0.42 0.73 0.05 0.00 -1.03 0.00 0.00 54.13 54.30 1wcs s LEU 531 Cb -0.12 -2.67 0.22 0.00 0.03 0.00 0.00 46.19 43.65 1wcs s LEU 531 CO 0.17 -0.05 0.68 -1.22 0.23 0.00 0.00 176.35 176.16 1wcs n TYR 532 N 4.05 3.50 -1.36 0.29 4.02 -1.26 -2.16 117.16 124.24 1wcs n TYR 532 Ca -0.07 -4.16 0.00 0.00 -0.01 0.00 0.00 57.90 53.66 1wcs n TYR 532 Cb 0.51 -0.66 0.00 0.00 -0.02 0.00 0.00 39.34 39.18 1wcs n TYR 532 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1wcs n GLY 533 N 1.41 0.40 0.44 2.72 0.00 -0.40 -3.51 105.19 106.25 1wcs n GLY 533 Ca 0.25 -0.89 0.14 0.00 0.00 0.00 0.00 46.02 45.52 1wcs n GLY 533 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wcs n ALA 534 N 8.18 2.64 -1.77 4.61 0.00 -1.26 -4.66 120.51 128.25 1wcs n ALA 534 Ca 0.00 -0.43 -0.37 0.00 0.00 0.00 0.00 53.44 52.64 1wcs n ALA 534 Cb 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 19.45 18.29 1wcs n ALA 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wcs s ALA 535 N -2.06 2.80 0.17 0.00 0.00 -1.23 -4.95 121.76 116.49 1wcs s ALA 535 Ca 0.37 0.98 -0.32 0.00 0.00 0.00 0.00 51.96 52.98 1wcs s ALA 535 Cb 0.21 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.80 1wcs s ALA 535 CO 0.36 -0.88 1.70 -1.25 0.00 0.00 0.00 175.76 175.69 1wcs s PRO 536 N -2.99 4.15 -1.05 0.00 0.04 -1.26 -4.20 135.00 129.69 1wcs s PRO 536 Ca 0.70 2.53 -0.18 0.00 0.04 0.00 0.00 61.00 64.08 1wcs s PRO 536 Cb -0.29 -3.24 0.12 0.00 0.04 0.00 0.00 34.50 31.13 1wcs s PRO 536 CO 0.34 -0.74 1.31 0.00 0.04 0.00 0.00 177.00 177.96 1wcs s ALA 537 N 1.59 3.41 0.22 8.56 0.00 -1.26 -4.82 121.76 129.46 1wcs s ALA 537 Ca 0.75 -2.85 -0.30 0.00 0.00 0.00 0.00 51.96 49.56 1wcs s ALA 537 Cb -0.47 -4.20 -0.09 0.00 0.00 0.00 0.00 23.12 18.36 1wcs s ALA 537 CO 0.33 -3.07 0.99 -1.54 0.00 0.00 0.00 175.76 172.47 1wcs s SER 538 N 3.71 7.52 0.73 0.00 1.04 -1.26 -4.71 113.70 120.73 1wcs s SER 538 Ca 0.39 2.01 -0.16 0.00 0.48 0.00 0.00 55.95 58.67 1wcs s SER 538 Cb -0.03 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.50 1wcs s SER 538 CO -0.06 0.03 1.04 -2.65 0.98 0.00 0.00 173.24 172.58 1wcs n PRO 539 N 1.69 0.51 -3.58 4.02 -0.02 -1.26 -4.57 135.00 131.79 1wcs n PRO 539 Ca -0.01 0.23 -0.08 0.00 -2.02 0.00 0.00 63.50 61.63 1wcs n PRO 539 Cb 0.47 -2.29 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 1wcs n PRO 539 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1wcs s THR 540 N -1.83 0.00 0.28 3.45 -1.32 -0.93 -4.97 115.64 110.32 1wcs s THR 540 Ca 0.74 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.22 1wcs s THR 540 Cb -0.34 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.65 1wcs s THR 540 CO 0.49 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.51 1wcs n GLY 541 N 0.39 -1.85 2.83 6.08 0.00 -1.26 0.11 105.19 111.49 1wcs n GLY 541 Ca -0.07 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 1wcs n GLY 541 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wcs s SER 542 N -6.15 1.03 1.01 1.61 0.15 -1.26 -3.96 113.70 106.14 1wcs s SER 542 Ca 0.00 -0.55 -0.17 0.00 0.70 0.00 0.00 55.95 55.93 1wcs s SER 542 Cb 0.00 0.80 0.23 0.00 -1.71 0.00 0.00 66.02 65.34 1wcs s SER 542 CO 0.00 -0.37 1.32 -1.66 1.20 0.00 0.00 173.24 173.73 1wcs s TRP 543 N 2.45 1.26 -0.04 3.44 1.48 -1.15 -5.02 118.94 121.37 1wcs s TRP 543 Ca 0.10 0.27 -0.05 0.00 -1.06 0.00 0.00 56.10 55.36 1wcs s TRP 543 Cb -0.13 -4.15 0.01 0.00 -1.16 0.00 0.00 33.47 28.04 1wcs s TRP 543 CO -0.31 -2.92 0.12 -1.21 -4.06 0.00 0.00 176.95 168.57 1wcs s GLU 544 N -5.89 0.21 -0.07 3.25 2.02 -1.26 -4.85 118.70 112.11 1wcs s GLU 544 Ca 0.75 0.04 -0.30 0.00 0.02 0.00 0.00 54.97 55.48 1wcs s GLU 544 Cb -0.03 0.10 -0.08 0.00 0.10 0.00 0.00 34.13 34.21 1wcs s GLU 544 CO 0.54 -0.04 2.05 1.28 0.02 0.00 0.00 175.26 179.11 1wcs n LEU 545 N 2.68 3.75 0.00 1.80 4.77 -1.26 -2.68 117.00 126.05 1wcs n LEU 545 Ca -0.15 0.69 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1wcs n LEU 545 Cb 0.58 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 1wcs n LEU 545 CO 0.22 -0.12 0.00 1.41 -1.33 0.00 0.00 177.39 177.56 1wcs n HIS 546 N 8.75 0.00 -2.86 -1.77 8.25 0.40 -4.96 115.22 123.02 1wcs n HIS 546 Ca 0.24 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.31 1wcs n HIS 546 Cb 0.40 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.45 1wcs n HIS 546 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1wcs s LYS 547 N -0.37 4.68 0.16 -0.41 2.20 -1.09 -4.86 119.74 120.03 1wcs s LYS 547 Ca 0.00 1.31 -0.31 0.00 -0.36 0.00 0.00 55.97 56.61 1wcs s LYS 547 Cb 0.00 -3.18 -0.09 0.00 -1.51 0.00 0.00 37.83 33.05 1wcs s LYS 547 CO 0.00 0.50 1.44 -1.59 -0.36 0.00 0.00 175.35 175.34 1wcs s LYS 548 N -1.33 4.29 -0.05 4.03 0.00 -1.26 -4.31 119.74 121.09 1wcs s LYS 548 Ca 0.40 2.19 -0.02 0.00 0.00 0.00 0.00 55.97 58.54 1wcs s LYS 548 Cb -0.23 -3.20 0.03 0.00 0.00 0.00 0.00 37.83 34.43 1wcs s LYS 548 CO 0.28 -0.47 0.06 0.71 0.00 0.00 0.00 175.35 175.94 1wcs s TYR 549 N 0.88 0.07 0.27 1.78 1.51 -0.74 -4.99 117.35 116.12 1wcs s TYR 549 Ca 0.65 0.21 -0.29 0.00 -1.01 0.00 0.00 57.07 56.63 1wcs s TYR 549 Cb -0.40 -0.50 -0.09 0.00 -0.11 0.00 0.00 41.96 40.86 1wcs s TYR 549 CO 0.33 -0.22 0.95 -1.58 -1.11 0.00 0.00 175.55 173.92 1wcs s HIS 550 N 2.17 3.86 -0.03 2.71 5.65 -1.26 -0.78 115.29 127.61 1wcs s HIS 550 Ca 0.05 1.86 -0.01 0.00 0.25 0.00 0.00 55.06 57.21 1wcs s HIS 550 Cb -0.12 -2.99 0.03 0.00 -1.18 0.00 0.00 32.58 28.32 1wcs s HIS 550 CO -0.04 0.30 0.06 0.08 -0.65 0.00 0.00 174.74 174.49 1wcs s VAL 551 N -1.32 -0.06 -0.08 0.89 1.01 0.41 -1.23 120.40 120.03 1wcs s VAL 551 Ca 0.44 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.67 1wcs s VAL 551 Cb -0.24 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.03 1wcs s VAL 551 CO 0.30 0.09 -0.16 -0.69 0.00 0.00 0.00 175.10 174.64 1wcs s VAL 552 N 1.16 1.44 -0.20 2.92 1.01 -0.57 -1.71 120.40 124.45 1wcs s VAL 552 Ca -0.08 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1wcs s VAL 552 Cb -0.13 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 34.98 1wcs s VAL 552 CO -0.04 0.42 -0.12 -0.76 0.00 0.00 0.00 175.10 174.61 1wcs s LEU 553 N 0.57 2.56 -0.13 3.92 1.43 0.36 -0.21 118.68 127.18 1wcs s LEU 553 Ca -0.16 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 52.42 1wcs s LEU 553 Cb -0.17 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.45 1wcs s LEU 553 CO 0.05 -0.02 -0.22 0.42 0.23 0.00 0.00 176.35 176.81 1wcs s THR 554 N 1.38 2.04 -0.12 5.49 -4.23 -1.16 -0.26 115.64 118.78 1wcs s THR 554 Ca 0.05 -0.97 0.02 0.00 -1.18 0.00 0.00 61.69 59.61 1wcs s THR 554 Cb -0.14 -1.79 0.01 0.00 1.34 0.00 0.00 72.50 71.92 1wcs s THR 554 CO -0.08 0.55 -0.19 -0.32 -0.54 0.00 0.00 174.62 174.04 1wcs s MET 555 N 0.75 2.62 0.01 3.99 1.75 -0.05 -2.77 119.30 125.61 1wcs s MET 555 Ca -0.09 -0.72 -0.21 0.00 -1.25 0.00 0.00 55.69 53.43 1wcs s MET 555 Cb -0.16 -2.13 0.04 0.00 2.84 0.00 0.00 34.83 35.43 1wcs s MET 555 CO -0.00 0.00 0.46 0.00 -0.65 0.00 0.00 175.02 174.84 1wcs s ALA 556 N 0.78 -1.17 -1.12 4.11 0.00 -0.95 -1.00 121.76 122.41 1wcs s ALA 556 Ca -0.10 0.57 -0.10 0.00 0.00 0.00 0.00 51.96 52.33 1wcs s ALA 556 Cb -0.16 0.23 0.09 0.00 0.00 0.00 0.00 23.12 23.29 1wcs s ALA 556 CO 0.01 -0.41 0.38 -0.25 0.00 0.00 0.00 175.76 175.49 1wcs n ASP 557 N 0.73 -2.59 0.00 0.00 8.00 -1.25 0.13 116.55 121.56 1wcs n ASP 557 Ca -0.19 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 54.93 1wcs n ASP 557 Cb 0.58 -2.21 0.00 0.00 -0.02 0.00 0.00 41.12 39.47 1wcs n ASP 557 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wcs n ARG 558 N -3.49 0.00 -2.95 -1.24 1.74 -1.26 -4.97 116.66 104.49 1wcs n ARG 558 Ca 0.02 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.73 1wcs n ARG 558 Cb 0.51 -2.91 -0.06 0.00 -1.02 0.00 0.00 32.46 28.98 1wcs n ARG 558 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1wcs s GLN 559 N 0.00 4.45 0.03 5.56 -0.21 0.12 -1.81 119.66 127.81 1wcs s GLN 559 Ca 0.00 1.11 0.00 0.00 0.02 0.00 0.00 55.36 56.49 1wcs s GLN 559 Cb 0.00 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 31.03 1wcs s GLN 559 CO 0.00 0.40 -0.04 0.20 -2.12 0.00 0.00 175.29 173.73 1wcs s GLY 560 N -1.52 0.36 0.02 3.09 0.00 -0.17 -2.24 107.32 106.87 1wcs s GLY 560 Ca 0.44 -0.81 -0.04 0.00 0.00 0.00 0.00 44.72 44.31 1wcs s GLY 560 CO 0.23 -0.89 0.06 -0.56 0.00 0.00 0.00 173.10 171.95 1wcs s SER 561 N -1.92 0.16 0.07 1.64 0.01 -1.12 -1.26 113.70 111.28 1wcs s SER 561 Ca -0.08 -0.42 0.04 0.00 1.31 0.00 0.00 55.95 56.80 1wcs s SER 561 Cb -0.05 0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.31 1wcs s SER 561 CO -0.03 -0.38 -0.01 -0.69 0.41 0.00 0.00 173.24 172.53 1wcs s VAL 562 N -1.78 3.97 -0.07 3.43 1.01 -1.26 -3.00 120.40 122.70 1wcs s VAL 562 Ca -0.12 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1wcs s VAL 562 Cb -0.06 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.48 1wcs s VAL 562 CO -0.01 0.19 -0.11 -0.31 0.00 0.00 0.00 175.10 174.86 1wcs s TYR 563 N -1.23 1.40 -0.37 5.22 1.51 0.71 -0.18 117.35 124.41 1wcs s TYR 563 Ca 0.24 -0.52 0.04 0.00 -1.01 0.00 0.00 57.07 55.81 1wcs s TYR 563 Cb -0.12 -1.05 0.11 0.00 -0.11 0.00 0.00 41.96 40.79 1wcs s TYR 563 CO 0.15 -0.29 0.09 0.08 -1.11 0.00 0.00 175.55 174.48 1wcs s VAL 564 N 0.75 2.23 -0.60 0.71 1.01 -0.87 -1.51 120.40 122.13 1wcs s VAL 564 Ca -0.13 -2.46 -0.02 0.00 0.00 0.00 0.00 61.98 59.38 1wcs s VAL 564 Cb -0.15 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 1wcs s VAL 564 CO 0.03 -0.64 0.55 0.47 0.00 0.00 0.00 175.10 175.50 1wcs n ASP 565 N 4.09 -5.79 0.00 3.32 8.00 -0.37 -3.78 116.55 122.02 1wcs n ASP 565 Ca 0.04 -0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1wcs n ASP 565 Cb 0.40 -3.96 0.00 0.00 -0.02 0.00 0.00 41.12 37.55 1wcs n ASP 565 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wcs n GLY 566 N -1.46 0.83 3.74 0.44 0.00 -1.26 -4.92 105.19 102.56 1wcs n GLY 566 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1wcs n GLY 566 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wcs s GLN 567 N 0.00 4.36 0.88 1.61 -1.52 -1.25 -4.82 119.66 118.93 1wcs s GLN 567 Ca 0.00 0.72 -0.11 0.00 -1.95 0.00 0.00 55.36 54.01 1wcs s GLN 567 Cb 0.00 -3.40 0.12 0.00 -0.22 0.00 0.00 33.01 29.51 1wcs s GLN 567 CO 0.00 0.22 1.09 -1.25 -0.25 0.00 0.00 175.29 175.10 1wcs s PRO 568 N 0.31 1.37 0.42 2.91 0.04 -1.26 -2.04 135.00 136.75 1wcs s PRO 568 Ca 0.32 0.81 0.08 0.00 0.04 0.00 0.00 61.00 62.24 1wcs s PRO 568 Cb -0.17 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 1wcs s PRO 568 CO 0.16 -2.16 0.44 -0.51 0.04 0.00 0.00 177.00 174.96 1wcs s LEU 569 N -6.16 3.44 0.09 -3.56 1.43 0.75 -4.80 118.68 109.87 1wcs s LEU 569 Ca 0.63 -0.67 -0.31 0.00 -1.03 0.00 0.00 54.13 52.75 1wcs s LEU 569 Cb -0.18 -2.19 -0.10 0.00 0.03 0.00 0.00 46.19 43.76 1wcs s LEU 569 CO 0.57 -0.70 1.89 0.00 0.23 0.00 0.00 176.35 178.33 1wcs n ALA 570 N -1.65 1.96 -1.16 4.21 0.00 -1.26 -2.26 120.51 120.36 1wcs n ALA 570 Ca 0.05 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1wcs n ALA 570 Cb 0.61 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 17.43 1wcs n ALA 570 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wcs n GLY 571 N 4.36 1.06 3.72 0.00 0.00 -1.26 -4.91 105.19 108.15 1wcs n GLY 571 Ca 0.19 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1wcs n GLY 571 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wcs s SER 572 N -2.58 7.25 0.00 1.61 0.01 -0.96 -3.48 113.70 115.55 1wcs s SER 572 Ca 0.00 1.89 0.00 0.00 1.31 0.00 0.00 55.95 59.15 1wcs s SER 572 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1wcs s SER 572 CO 0.00 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1wcs n GLY 573 N 2.80 1.44 3.92 3.44 0.00 -0.39 -5.01 105.19 111.39 1wcs n GLY 573 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1wcs n GLY 573 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wcs s ASN 574 N -2.00 5.25 -0.05 1.61 0.02 -1.13 -4.76 114.94 113.88 1wcs s ASN 574 Ca 0.00 0.68 -0.05 0.00 -1.02 0.00 0.00 52.86 52.46 1wcs s ASN 574 Cb 0.00 -1.50 -0.04 0.00 0.02 0.00 0.00 41.25 39.72 1wcs s ASN 574 CO 0.00 -1.33 0.19 -0.89 0.02 0.00 0.00 177.10 175.09 1wcs s THR 575 N -3.15 5.43 -0.03 1.60 2.01 -1.26 -1.00 115.64 119.24 1wcs s THR 575 Ca 0.57 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.66 1wcs s THR 575 Cb -0.11 -3.49 -0.01 0.00 0.01 0.00 0.00 72.50 68.90 1wcs s THR 575 CO 0.46 0.46 0.03 1.33 -0.69 0.00 0.00 174.62 176.21 1wcs n VAL 576 N 1.43 0.00 -3.77 3.82 0.24 -0.75 -4.55 118.33 114.74 1wcs n VAL 576 Ca -0.15 -0.43 -0.13 0.00 -2.04 0.00 0.00 64.34 61.59 1wcs n VAL 576 Cb 0.54 0.95 -0.12 0.00 -1.47 0.00 0.00 33.84 33.74 1wcs n VAL 576 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1wcs s VAL 577 N -1.17 -0.00 0.05 3.34 0.11 -1.26 -4.62 120.40 116.84 1wcs s VAL 577 Ca 0.00 0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.11 1wcs s VAL 577 Cb 0.01 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 1wcs s VAL 577 CO 0.03 0.01 -0.06 -0.13 -3.33 0.00 0.00 175.10 171.61 1wcs s ARG 578 N 0.28 2.43 0.00 1.54 3.00 -1.26 -5.00 118.95 119.95 1wcs s ARG 578 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 55.73 54.89 1wcs s ARG 578 Cb -0.03 -2.45 0.00 0.00 0.00 0.00 0.00 34.95 32.47 1wcs s ARG 578 CO -0.01 0.57 0.00 0.41 0.00 0.00 0.00 175.30 176.27 1wcs n GLY 579 N 1.15 -1.29 0.13 -3.53 0.00 -1.26 -4.49 105.19 95.91 1wcs n GLY 579 Ca -0.14 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1wcs n GLY 579 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wcs n ALA 580 N -1.48 2.33 -2.08 4.61 0.00 -1.26 -4.85 120.51 117.78 1wcs n ALA 580 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1wcs n ALA 580 Cb 0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 1wcs n ALA 580 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wcs s THR 581 N -1.74 4.50 -0.08 0.00 2.01 -1.26 -5.04 115.64 114.03 1wcs s THR 581 Ca 0.00 1.49 -0.28 0.00 0.31 0.00 0.00 61.69 63.21 1wcs s THR 581 Cb 0.00 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 1wcs s THR 581 CO 0.00 0.47 0.93 -0.76 -0.69 0.00 0.00 174.62 174.57 1wcs s LEU 582 N -1.30 4.28 1.02 4.42 1.43 -1.26 -4.89 118.68 122.37 1wcs s LEU 582 Ca 0.35 1.48 -0.11 0.00 -1.03 0.00 0.00 54.13 54.82 1wcs s LEU 582 Cb -0.21 -3.45 0.20 0.00 0.03 0.00 0.00 46.19 42.76 1wcs s LEU 582 CO 0.23 -0.34 1.09 -2.16 0.23 0.00 0.00 176.35 175.41 1wcs s PRO 583 N 1.57 0.23 -0.70 1.29 0.04 -1.26 -4.98 135.00 131.19 1wcs s PRO 583 Ca 0.47 1.24 0.04 0.00 0.04 0.00 0.00 61.00 62.78 1wcs s PRO 583 Cb -0.19 -1.66 0.32 0.00 0.04 0.00 0.00 34.50 33.01 1wcs s PRO 583 CO 0.20 -3.07 1.09 -3.47 0.04 0.00 0.00 177.00 171.80 1wcs n ASP 584 N -4.50 4.96 -4.64 6.66 2.03 -1.26 -4.82 116.55 114.97 1wcs n ASP 584 Ca 0.08 -3.62 -0.58 0.00 0.52 0.00 0.00 54.79 51.19 1wcs n ASP 584 Cb 0.53 -0.73 -0.08 0.00 -0.72 0.00 0.00 41.12 40.12 1wcs n ASP 584 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1wcs n ILE 585 N 0.10 0.24 0.05 5.18 5.41 -1.26 -2.73 119.36 126.35 1wcs n ILE 585 Ca 0.33 -0.07 -0.13 0.00 1.00 0.00 0.00 62.75 63.88 1wcs n ILE 585 Cb 0.37 -1.16 -0.09 0.00 -0.71 0.00 0.00 39.64 38.05 1wcs n ILE 585 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1wcs h SER 586 N 7.87 -0.11 0.00 4.38 4.64 0.15 -3.12 113.55 127.37 1wcs h SER 586 Ca -0.41 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 60.61 1wcs h SER 586 Cb 1.33 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1wcs h SER 586 CO 0.98 0.26 0.00 0.00 -0.87 0.00 0.00 176.83 177.20 1wcs n HIS 587 N -4.98 0.00 -4.39 4.77 -0.00 -1.22 -0.99 115.22 108.41 1wcs n HIS 587 Ca -0.08 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.38 1wcs n HIS 587 Cb 0.21 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.09 1wcs n HIS 587 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1wcs s PHE 588 N -2.87 2.15 -0.13 -1.40 0.40 -0.87 -3.10 117.98 112.16 1wcs s PHE 588 Ca 0.00 -0.39 0.03 0.00 -0.60 0.00 0.00 56.93 55.97 1wcs s PHE 588 Cb 0.00 -1.07 0.01 0.00 0.51 0.00 0.00 43.02 42.47 1wcs s PHE 588 CO 0.00 0.44 -0.22 1.52 0.70 0.00 0.00 175.22 177.66 1wcs s TYR 589 N -1.74 2.65 -0.32 0.36 -0.85 -0.78 -2.54 117.35 114.14 1wcs s TYR 589 Ca 0.19 -1.31 -0.01 0.00 -0.52 0.00 0.00 57.07 55.42 1wcs s TYR 589 Cb -0.07 -1.80 0.06 0.00 0.38 0.00 0.00 41.96 40.53 1wcs s TYR 589 CO 0.09 -0.59 0.03 0.42 -1.52 0.00 0.00 175.55 173.98 1wcs s ILE 590 N 0.75 2.96 0.00 -3.49 1.01 -0.99 -3.37 121.20 118.08 1wcs s ILE 590 Ca -0.09 -1.57 0.00 0.00 0.00 0.00 0.00 60.65 59.00 1wcs s ILE 590 Cb -0.16 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.52 1wcs s ILE 590 CO -0.01 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.31 1wcs n GLY 591 N 4.59 0.82 2.23 6.18 0.00 -0.61 -0.22 105.19 118.17 1wcs n GLY 591 Ca -0.10 -1.26 -0.23 0.00 0.00 0.00 0.00 46.02 44.43 1wcs n GLY 591 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wcs n GLY 592 N 0.00 3.29 3.79 -0.02 0.00 -1.21 -3.47 105.19 107.58 1wcs n GLY 592 Ca 0.00 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 1wcs n GLY 592 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wcs s PRO 593 N -1.70 4.14 0.15 1.61 0.04 -1.25 -3.82 135.00 134.16 1wcs s PRO 593 Ca 0.37 1.39 -0.25 0.00 0.04 0.00 0.00 61.00 62.56 1wcs s PRO 593 Cb 0.23 -2.41 0.06 0.00 0.04 0.00 0.00 34.50 32.42 1wcs s PRO 593 CO -0.10 -0.14 0.92 -0.98 0.04 0.00 0.00 177.00 176.74 1wcs s ARG 594 N -2.72 1.22 0.00 4.56 1.04 -1.26 -4.96 118.95 116.83 1wcs s ARG 594 Ca 0.60 -0.65 0.00 0.00 -1.04 0.00 0.00 55.73 54.64 1wcs s ARG 594 Cb -0.18 0.43 0.00 0.00 -2.04 0.00 0.00 34.95 33.16 1wcs s ARG 594 CO 0.23 -0.56 0.00 -1.13 -0.04 0.00 0.00 175.30 173.80 1wcs n SER 595 N -0.44 0.00 -4.56 -2.89 3.41 -1.26 -4.91 113.62 102.96 1wcs n SER 595 Ca -0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.12 1wcs n SER 595 Cb 0.61 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 1wcs n SER 595 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1wcs s LYS 596 N -1.00 3.52 1.01 4.33 -2.85 -1.26 -4.85 119.74 118.64 1wcs s LYS 596 Ca 0.00 0.16 0.00 0.00 -1.00 0.00 0.00 55.97 55.13 1wcs s LYS 596 Cb 0.00 -3.96 0.00 0.00 -2.06 0.00 0.00 37.83 31.81 1wcs s LYS 596 CO 0.00 -1.36 0.00 0.41 0.10 0.00 0.00 175.35 174.50 1wcs n GLY 597 N 4.97 1.25 3.83 0.59 0.00 -1.26 -4.98 105.19 109.59 1wcs n GLY 597 Ca 0.07 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 1wcs n GLY 597 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wcs s ALA 598 N -1.00 3.52 -0.53 4.61 0.00 -1.26 -5.05 121.76 122.05 1wcs s ALA 598 Ca 0.00 0.02 -0.21 0.00 0.00 0.00 0.00 51.96 51.76 1wcs s ALA 598 Cb 0.00 -2.66 0.05 0.00 0.00 0.00 0.00 23.12 20.51 1wcs s ALA 598 CO 0.00 0.40 0.78 -1.25 0.00 0.00 0.00 175.76 175.68 1wcs s PRO 599 N -1.78 3.22 0.06 0.00 0.04 -1.26 -4.83 135.00 130.45 1wcs s PRO 599 Ca 0.38 -0.60 -0.23 0.00 0.04 0.00 0.00 61.00 60.59 1wcs s PRO 599 Cb -0.17 -4.08 -0.06 0.00 0.04 0.00 0.00 34.50 30.23 1wcs s PRO 599 CO 0.20 -1.35 0.68 0.99 0.04 0.00 0.00 177.00 177.56 1wcs s THR 600 N 3.26 4.71 -0.31 1.26 2.01 -1.26 -4.98 115.64 120.33 1wcs s THR 600 Ca 0.22 1.46 -0.03 0.00 0.31 0.00 0.00 61.69 63.66 1wcs s THR 600 Cb -0.16 -4.03 0.11 0.00 0.01 0.00 0.00 72.50 68.43 1wcs s THR 600 CO 0.15 0.45 0.14 -0.62 -0.69 0.00 0.00 174.62 174.05 1wcs s ASP 601 N -0.51 3.56 -0.16 3.53 -1.08 -1.26 -3.17 116.67 117.59 1wcs s ASP 601 Ca 0.34 -1.53 -0.01 0.00 -0.52 0.00 0.00 52.55 50.82 1wcs s ASP 601 Cb -0.20 -0.48 -0.01 0.00 -1.46 0.00 0.00 42.92 40.77 1wcs s ASP 601 CO 0.21 -0.41 -0.10 -0.44 0.52 0.00 0.00 175.17 174.95 1wcs s SER 602 N 1.80 4.15 -1.01 -0.34 0.01 -1.26 -4.89 113.70 112.17 1wcs s SER 602 Ca 0.11 -0.33 -0.05 0.00 1.31 0.00 0.00 55.95 56.99 1wcs s SER 602 Cb -0.18 -1.66 0.26 0.00 0.21 0.00 0.00 66.02 64.65 1wcs s SER 602 CO -0.28 0.11 1.00 0.54 0.41 0.00 0.00 173.24 175.03 1wcs n ARG 603 N 3.88 3.23 -4.18 12.44 5.12 -1.26 -4.41 116.66 131.47 1wcs n ARG 603 Ca -0.18 -4.49 -0.15 0.00 -1.93 0.00 0.00 57.85 51.10 1wcs n ARG 603 Cb 0.52 -2.48 -0.11 0.00 -1.16 0.00 0.00 32.46 29.23 1wcs n ARG 603 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1wcs s VAL 604 N -1.54 0.98 -0.30 1.55 -7.23 -1.26 -0.14 120.40 112.47 1wcs s VAL 604 Ca 0.30 -1.63 -0.04 0.00 -1.81 0.00 0.00 61.98 58.81 1wcs s VAL 604 Cb -0.06 -1.36 0.04 0.00 0.56 0.00 0.00 36.38 35.56 1wcs s VAL 604 CO -0.08 -0.53 0.02 -0.89 -0.31 0.00 0.00 175.10 173.32 1wcs s THR 605 N -2.35 3.29 -0.19 5.32 2.01 0.99 -2.39 115.64 122.32 1wcs s THR 605 Ca 0.05 -1.15 -0.02 0.00 0.31 0.00 0.00 61.69 60.89 1wcs s THR 605 Cb -0.03 -2.81 -0.00 0.00 0.01 0.00 0.00 72.50 69.66 1wcs s THR 605 CO 0.00 -0.03 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.11 1wcs s VAL 606 N 1.34 2.99 0.32 3.82 1.01 -1.05 -1.33 120.40 127.50 1wcs s VAL 606 Ca -0.02 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 61.41 1wcs s VAL 606 Cb -0.19 -2.31 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 1wcs s VAL 606 CO -0.00 0.48 -0.09 0.42 0.00 0.00 0.00 175.10 175.91 1wcs s THR 607 N 1.11 2.05 -0.69 3.92 -4.23 -0.73 -1.80 115.64 115.28 1wcs s THR 607 Ca 0.01 -2.18 -0.02 0.00 -1.18 0.00 0.00 61.69 58.31 1wcs s THR 607 Cb -0.14 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.12 1wcs s THR 607 CO -0.03 -0.24 0.52 0.59 -0.54 0.00 0.00 174.62 174.92 1wcs n ASN 608 N -0.72 -4.13 -4.58 3.99 5.03 -0.60 -2.02 115.26 112.23 1wcs n ASN 608 Ca -0.05 -0.81 -0.41 0.00 0.87 0.00 0.00 54.58 54.18 1wcs n ASN 608 Cb 0.63 -1.36 -0.07 0.00 -1.02 0.00 0.00 39.78 37.96 1wcs n ASN 608 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1wcs s VAL 609 N -2.76 4.96 0.48 2.41 1.01 -0.54 -4.15 120.40 121.82 1wcs s VAL 609 Ca 0.02 0.62 0.08 0.00 0.00 0.00 0.00 61.98 62.70 1wcs s VAL 609 Cb -0.00 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.42 1wcs s VAL 609 CO 0.77 -0.19 0.56 -0.69 0.00 0.00 0.00 175.10 175.55 1wcs s VAL 610 N 2.54 2.47 -0.30 2.92 1.01 -0.75 -1.47 120.40 126.83 1wcs s VAL 610 Ca 0.22 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 1wcs s VAL 610 Cb -0.15 -2.64 0.13 0.00 0.00 0.00 0.00 36.38 33.72 1wcs s VAL 610 CO 0.13 0.00 0.73 -0.22 0.00 0.00 0.00 175.10 175.74 1wcs s LEU 611 N -4.37 -1.01 0.22 3.92 2.96 -1.13 -2.00 118.68 117.28 1wcs s LEU 611 Ca 0.52 1.40 0.08 0.00 -0.22 0.00 0.00 54.13 55.91 1wcs s LEU 611 Cb -0.06 2.18 -0.04 0.00 0.50 0.00 0.00 46.19 48.77 1wcs s LEU 611 CO 0.32 -0.20 0.04 -0.31 -1.32 0.00 0.00 176.35 174.87 1wcs s TYR 612 N 2.67 2.84 -0.31 5.38 1.51 -0.75 -0.30 117.35 128.39 1wcs s TYR 612 Ca -0.06 -0.16 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1wcs s TYR 612 Cb -0.10 -1.32 0.30 0.00 -0.11 0.00 0.00 41.96 40.73 1wcs s TYR 612 CO -0.19 0.56 1.78 0.27 -1.11 0.00 0.00 175.55 176.86 1wcs n ASN 613 N -0.59 5.14 -3.67 2.29 6.94 -0.70 -2.27 115.26 122.39 1wcs n ASN 613 Ca -0.08 -3.03 -0.01 0.00 -0.02 0.00 0.00 54.58 51.44 1wcs n ASN 613 Cb 0.57 -0.88 -0.01 0.00 -2.36 0.00 0.00 39.78 37.10 1wcs n ASN 613 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wcs s ARG 614 N -1.95 0.77 -0.57 -3.83 1.70 -1.26 -4.71 118.95 109.11 1wcs s ARG 614 Ca 0.33 -0.42 -0.28 0.00 -0.47 0.00 0.00 55.73 54.90 1wcs s ARG 614 Cb 0.27 0.27 0.02 0.00 -0.57 0.00 0.00 34.95 34.94 1wcs s ARG 614 CO 0.02 -0.35 1.36 0.50 -1.08 0.00 0.00 175.30 175.75 1wcs s ARG 615 N -2.84 3.35 0.55 3.89 3.00 -1.26 -3.36 118.95 122.29 1wcs s ARG 615 Ca 0.13 0.40 -0.21 0.00 -1.00 0.00 0.00 55.73 55.04 1wcs s ARG 615 Cb 0.02 -4.10 -0.05 0.00 0.00 0.00 0.00 34.95 30.82 1wcs s ARG 615 CO -0.01 -1.88 1.33 -0.51 0.00 0.00 0.00 175.30 174.23 1wcs s LEU 616 N 5.78 3.82 0.51 -0.88 1.43 -1.26 -5.02 118.68 123.06 1wcs s LEU 616 Ca 0.50 2.70 0.01 0.00 -1.03 0.00 0.00 54.13 56.31 1wcs s LEU 616 Cb -0.10 -4.32 0.02 0.00 0.03 0.00 0.00 46.19 41.82 1wcs s LEU 616 CO 0.25 -1.57 0.74 0.54 0.23 0.00 0.00 176.35 176.54 1wcs s ASN 617 N -1.06 5.49 0.26 2.29 2.20 -1.26 -4.82 114.94 118.05 1wcs s ASN 617 Ca 0.72 0.11 -0.11 0.00 -0.94 0.00 0.00 52.86 52.65 1wcs s ASN 617 Cb -0.39 -1.14 0.38 0.00 -2.00 0.00 0.00 41.25 38.10 1wcs s ASN 617 CO 0.45 -0.97 1.57 0.77 -2.94 0.00 0.00 177.10 175.98 1wcs h SER 618 N 0.19 -0.95 1.07 3.54 4.64 -1.99 0.25 113.55 120.30 1wcs h SER 618 Ca -0.44 0.28 -0.04 0.00 -0.47 0.00 0.00 61.79 61.12 1wcs h SER 618 Cb 1.28 0.60 -0.01 0.00 -0.31 0.00 0.00 62.40 63.96 1wcs h SER 618 CO 0.54 -0.30 -0.19 -1.28 -0.87 0.00 0.00 176.83 174.73 1wcs h SER 619 N -0.01 0.00 0.11 4.97 0.87 -2.00 -2.69 113.55 114.81 1wcs h SER 619 Ca 0.42 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.68 1wcs h SER 619 Cb 0.66 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1wcs h SER 619 CO -0.94 0.19 -1.59 -0.33 -0.53 0.00 0.00 176.83 173.62 1wcs h GLU 620 N 0.00 0.24 -0.75 2.24 5.08 -1.40 -3.26 114.58 116.74 1wcs h GLU 620 Ca -0.00 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1wcs h GLU 620 Cb 0.78 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.14 1wcs h GLU 620 CO 0.02 1.20 0.49 0.82 -1.00 0.00 0.00 179.01 180.54 1wcs h ILE 621 N -0.23 1.18 -0.66 3.13 2.04 -0.64 -1.77 117.51 120.56 1wcs h ILE 621 Ca -0.35 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.18 1wcs h ILE 621 Cb 1.82 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1wcs h ILE 621 CO 0.05 0.18 0.44 -0.09 0.00 0.00 0.00 178.15 178.73 1wcs h ARG 622 N 1.00 0.85 0.40 2.37 2.43 -1.63 -2.54 114.38 117.25 1wcs h ARG 622 Ca 0.28 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 1wcs h ARG 622 Cb -0.09 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.27 1wcs h ARG 622 CO -0.07 0.56 -0.19 1.15 -1.51 0.00 0.00 179.97 179.91 1wcs h THR 623 N 0.87 0.30 -0.16 0.20 2.02 -1.46 -3.29 112.91 111.39 1wcs h THR 623 Ca 0.25 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1wcs h THR 623 Cb -0.07 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1wcs h THR 623 CO -0.06 0.07 0.07 -0.07 0.37 0.00 0.00 175.52 175.90 1wcs h LEU 624 N -1.04 0.19 -1.19 2.58 3.38 -1.30 0.15 115.31 118.08 1wcs h LEU 624 Ca -0.05 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1wcs h LEU 624 Cb 0.52 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 1wcs h LEU 624 CO 0.09 0.17 0.58 0.15 0.09 0.00 0.00 178.44 179.51 1wcs h PHE 625 N 0.22 0.98 -0.11 1.13 3.57 -1.56 -2.99 116.94 118.18 1wcs h PHE 625 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1wcs h PHE 625 Cb 0.03 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.45 1wcs h PHE 625 CO 0.00 0.48 0.00 1.28 -2.23 0.00 0.00 178.31 177.84 1wcs n LEU 626 N -4.51 2.05 -0.08 0.59 4.77 0.03 -4.43 117.00 115.42 1wcs n LEU 626 Ca 0.14 -0.76 0.05 0.00 -0.03 0.00 0.00 56.01 55.41 1wcs n LEU 626 Cb 0.26 -0.06 0.07 0.00 -2.33 0.00 0.00 43.42 41.36 1wcs n LEU 626 CO 0.32 0.38 0.50 -1.54 -1.33 0.00 0.00 177.39 175.72 1wcs n SER 627 N 0.59 1.87 0.00 -1.43 3.41 -1.13 -4.80 113.62 112.13 1wcs n SER 627 Ca 0.17 -2.48 0.09 0.00 -0.26 0.00 0.00 58.87 56.39 1wcs n SER 627 Cb 0.42 -0.23 0.55 0.00 -0.26 0.00 0.00 64.21 64.69 1wcs n SER 627 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wcs n GLN 628 N -0.89 0.62 -0.01 4.33 10.64 -1.25 -1.51 117.38 129.30 1wcs n GLN 628 Ca 0.08 0.00 0.05 0.00 -1.83 0.00 0.00 57.00 55.30 1wcs n GLN 628 Cb 0.50 -1.47 -0.07 0.00 -0.86 0.00 0.00 30.24 28.33 1wcs n GLN 628 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1wcs n ASP 629 N -0.97 2.80 -0.34 2.61 8.00 -1.26 -4.42 116.55 122.96 1wcs n ASP 629 Ca 0.14 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.78 1wcs n ASP 629 Cb 0.06 1.42 0.52 0.00 -0.02 0.00 0.00 41.12 43.10 1wcs n ASP 629 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1wcs n MET 630 N -1.85 1.28 0.00 -1.24 2.81 -0.57 -3.95 117.12 113.60 1wcs n MET 630 Ca -0.02 -0.69 0.04 0.00 -1.81 0.00 0.00 57.70 55.22 1wcs n MET 630 Cb 0.27 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.24 1wcs n MET 630 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1wcs n ILE 631 N -0.26 0.00 -0.97 2.02 -5.35 -1.04 -4.98 119.36 108.77 1wcs n ILE 631 Ca 0.17 -0.30 -0.23 0.00 -0.27 0.00 0.00 62.75 62.11 1wcs n ILE 631 Cb 0.33 1.00 0.19 0.00 -1.74 0.00 0.00 39.64 39.43 1wcs n ILE 631 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wcs n GLY 632 N 1.19 -2.64 2.73 3.28 0.00 -1.25 -5.04 105.19 103.45 1wcs n GLY 632 Ca 0.02 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 1wcs n GLY 632 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wcs s THR 633 N -2.59 0.63 0.00 2.61 -4.23 -1.26 -5.08 115.64 105.72 1wcs s THR 633 Ca 0.56 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 60.20 1wcs s THR 633 Cb -0.05 -1.26 0.00 0.00 1.34 0.00 0.00 72.50 72.53 1wcs s THR 633 CO 0.43 -0.39 0.00 -0.90 -0.54 0.00 0.00 174.62 173.22