#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3r s GLN 3 N 0.00 0.42 0.70 5.55 -2.07 -1.26 -4.56 119.66 118.44 1a3r s GLN 3 Ca 0.00 -0.16 -0.12 0.00 -1.82 0.00 0.00 55.36 53.26 1a3r s GLN 3 Cb 0.00 -0.42 0.02 0.00 -1.09 0.00 0.00 33.01 31.52 1a3r s GLN 3 CO 0.00 0.09 1.07 -0.51 -1.32 0.00 0.00 175.29 174.62 1a3r s LEU 4 N -0.01 3.17 -0.15 2.60 1.43 -1.20 -4.84 118.68 119.68 1a3r s LEU 4 Ca 0.01 1.75 -0.08 0.00 -1.03 0.00 0.00 54.13 54.78 1a3r s LEU 4 Cb -0.03 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 1a3r s LEU 4 CO -0.00 -1.62 0.12 -1.10 0.23 0.00 0.00 176.35 173.98 1a3r s GLN 5 N -4.78 3.76 0.12 1.70 -0.21 -0.59 -4.23 119.66 115.44 1a3r s GLN 5 Ca 0.61 -0.20 0.07 0.00 0.02 0.00 0.00 55.36 55.86 1a3r s GLN 5 Cb -0.16 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.55 1a3r s GLN 5 CO 0.52 0.55 -0.17 -0.65 -2.12 0.00 0.00 175.29 173.41 1a3r s GLN 6 N -0.36 1.11 0.78 2.91 -0.21 -1.26 -0.65 119.66 121.98 1a3r s GLN 6 Ca 0.11 -1.24 -0.12 0.00 0.02 0.00 0.00 55.36 54.13 1a3r s GLN 6 Cb -0.12 -1.16 0.07 0.00 1.00 0.00 0.00 33.01 32.80 1a3r s GLN 6 CO 0.01 0.24 1.12 -1.54 -2.12 0.00 0.00 175.29 173.01 1a3r s SER 7 N -2.29 4.17 1.15 5.90 1.04 -1.03 -5.02 113.70 117.62 1a3r s SER 7 Ca 0.09 2.02 -0.15 0.00 0.48 0.00 0.00 55.95 58.39 1a3r s SER 7 Cb -0.07 -2.55 0.26 0.00 0.10 0.00 0.00 66.02 63.77 1a3r s SER 7 CO 0.04 -2.26 1.05 -0.83 0.98 0.00 0.00 173.24 172.22 1a3r s GLY 8 N -2.89 1.54 0.40 7.32 0.00 -1.26 -4.68 107.32 107.75 1a3r s GLY 8 Ca 0.65 -0.47 -0.26 0.00 0.00 0.00 0.00 44.72 44.64 1a3r s GLY 8 CO 0.53 0.29 1.27 0.00 0.00 0.00 0.00 173.10 175.18 1a3r n ALA 9 N -4.73 1.25 -2.98 3.20 0.00 -1.26 -4.78 120.51 111.21 1a3r n ALA 9 Ca 0.06 0.29 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 1a3r n ALA 9 Cb 0.57 -2.25 -0.17 0.00 0.00 0.00 0.00 19.45 17.60 1a3r n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1a3r s GLU 10 N -2.09 2.56 -0.26 0.00 0.41 -0.54 -5.01 118.70 113.76 1a3r s GLU 10 Ca 0.59 -0.82 -0.03 0.00 -0.41 0.00 0.00 54.97 54.30 1a3r s GLU 10 Cb -0.53 -2.07 0.02 0.00 -1.78 0.00 0.00 34.13 29.77 1a3r s GLU 10 CO 0.59 0.27 -0.02 -1.17 -0.49 0.00 0.00 175.26 174.44 1a3r s LEU 11 N 0.10 3.35 -0.01 1.80 2.96 -1.26 -1.21 118.68 124.41 1a3r s LEU 11 Ca -0.10 -0.81 0.03 0.00 -0.22 0.00 0.00 54.13 53.03 1a3r s LEU 11 Cb -0.15 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 1a3r s LEU 11 CO 0.05 -0.14 -0.10 0.54 -1.32 0.00 0.00 176.35 175.38 1a3r s VAL 12 N 1.37 0.82 0.52 1.68 0.11 -0.61 -5.00 120.40 119.30 1a3r s VAL 12 Ca 0.01 -0.43 -0.18 0.00 -2.93 0.00 0.00 61.98 58.45 1a3r s VAL 12 Cb -0.17 -0.69 -0.07 0.00 -1.53 0.00 0.00 36.38 33.92 1a3r s VAL 12 CO -0.03 0.23 1.01 0.00 -3.33 0.00 0.00 175.10 172.99 1a3r s ARG 13 N -0.19 3.80 0.27 1.54 1.70 -1.25 -1.80 118.95 123.01 1a3r s ARG 13 Ca 0.03 1.11 -0.30 0.00 -0.47 0.00 0.00 55.73 56.10 1a3r s ARG 13 Cb -0.05 -2.11 -0.13 0.00 -0.57 0.00 0.00 34.95 32.09 1a3r s ARG 13 CO -0.00 -0.40 1.28 -2.30 -1.08 0.00 0.00 175.30 172.79 1a3r n PRO 14 N -1.47 1.84 0.00 3.89 -0.02 -1.26 -2.30 135.00 135.68 1a3r n PRO 14 Ca 0.08 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1a3r n PRO 14 Cb 0.53 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1a3r n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a3r n GLY 15 N 1.63 3.21 3.94 -1.23 0.00 0.04 -4.94 105.19 107.83 1a3r n GLY 15 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1a3r n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3r s ALA 16 N -2.12 2.59 0.38 4.61 0.00 -0.97 -4.13 121.76 122.13 1a3r s ALA 16 Ca 0.00 -1.17 0.07 0.00 0.00 0.00 0.00 51.96 50.86 1a3r s ALA 16 Cb 0.00 -2.68 -0.07 0.00 0.00 0.00 0.00 23.12 20.37 1a3r s ALA 16 CO 0.00 -2.08 -0.00 -1.54 0.00 0.00 0.00 175.76 172.14 1a3r s SER 17 N -4.79 3.60 0.01 0.00 1.04 -1.26 -1.57 113.70 110.73 1a3r s SER 17 Ca 0.70 -1.33 -0.16 0.00 0.48 0.00 0.00 55.95 55.63 1a3r s SER 17 Cb -0.06 -0.34 0.03 0.00 0.10 0.00 0.00 66.02 65.75 1a3r s SER 17 CO 0.50 -0.42 0.35 0.54 0.98 0.00 0.00 173.24 175.19 1a3r s VAL 18 N -2.79 0.06 -0.17 5.02 0.11 -0.49 -5.01 120.40 117.14 1a3r s VAL 18 Ca 0.35 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 1a3r s VAL 18 Cb 0.08 -0.79 0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1a3r s VAL 18 CO 0.17 -0.28 -0.08 -0.75 -3.33 0.00 0.00 175.10 170.83 1a3r s LYS 19 N -1.87 1.74 0.10 1.54 2.20 -1.26 -1.20 119.74 120.99 1a3r s LYS 19 Ca -0.09 -0.60 -0.02 0.00 -0.36 0.00 0.00 55.97 54.90 1a3r s LYS 19 Cb -0.03 -2.10 -0.05 0.00 -1.51 0.00 0.00 37.83 34.14 1a3r s LYS 19 CO 0.01 -0.39 0.29 -0.51 -0.36 0.00 0.00 175.35 174.39 1a3r s LEU 20 N 1.55 4.32 0.18 5.43 1.43 0.15 -4.92 118.68 126.82 1a3r s LEU 20 Ca 0.01 0.40 0.09 0.00 -1.03 0.00 0.00 54.13 53.60 1a3r s LEU 20 Cb -0.15 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 1a3r s LEU 20 CO -0.08 0.11 -0.19 -0.94 0.23 0.00 0.00 176.35 175.48 1a3r s SER 21 N -2.54 2.85 -0.14 2.29 1.04 -1.26 -0.94 113.70 115.00 1a3r s SER 21 Ca 0.38 -0.89 -0.04 0.00 0.48 0.00 0.00 55.95 55.88 1a3r s SER 21 Cb -0.12 -0.18 0.06 0.00 0.10 0.00 0.00 66.02 65.88 1a3r s SER 21 CO 0.27 -0.02 0.13 0.00 0.98 0.00 0.00 173.24 174.60 1a3r s THR 23 N 2.21 4.77 -1.30 0.00 2.01 0.18 -0.72 115.64 122.80 1a3r s THR 23 Ca 0.04 -0.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.93 1a3r s THR 23 Cb -0.15 -3.22 0.15 0.00 0.01 0.00 0.00 72.50 69.29 1a3r s THR 23 CO -0.08 0.35 2.00 0.35 -0.69 0.00 0.00 174.62 176.55 1a3r n THR 24 N 4.49 4.48 -1.79 -0.82 -2.24 -0.79 -1.54 114.28 116.07 1a3r n THR 24 Ca -0.16 -4.31 -0.42 0.00 -2.27 0.00 0.00 64.05 56.89 1a3r n THR 24 Cb 0.52 -2.32 -0.03 0.00 -2.10 0.00 0.00 70.33 66.40 1a3r n THR 24 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1a3r s SER 25 N 0.84 6.46 0.00 3.42 0.15 -1.26 -1.69 113.70 121.62 1a3r s SER 25 Ca 0.43 2.73 0.00 0.00 0.70 0.00 0.00 55.95 59.81 1a3r s SER 25 Cb 0.12 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1a3r s SER 25 CO -0.02 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.09 1a3r n GLY 26 N 4.03 0.23 2.98 9.45 0.00 -1.26 -4.80 105.19 115.82 1a3r n GLY 26 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1a3r n GLY 26 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a3r s PHE 27 N -2.00 0.27 -0.24 1.61 0.08 -0.68 -5.11 117.98 111.92 1a3r s PHE 27 Ca 0.00 -0.48 -0.27 0.00 0.12 0.00 0.00 56.93 56.30 1a3r s PHE 27 Cb 0.00 -0.19 0.00 0.00 -0.57 0.00 0.00 43.02 42.26 1a3r s PHE 27 CO 0.00 -0.17 0.94 1.21 -0.10 0.00 0.00 175.22 177.10 1a3r s ASN 28 N -1.35 6.97 0.46 1.36 3.84 -1.26 -4.79 114.94 120.17 1a3r s ASN 28 Ca -0.14 1.22 0.27 0.00 0.21 0.00 0.00 52.86 54.41 1a3r s ASN 28 Cb -0.09 -2.49 1.46 0.00 -0.55 0.00 0.00 41.25 39.58 1a3r s ASN 28 CO -0.01 -0.60 1.80 -0.29 -2.79 0.00 0.00 177.10 175.22 1a3r h ILE 29 N 5.44 0.00 0.00 -5.21 2.10 -1.88 -0.65 117.51 117.30 1a3r h ILE 29 Ca -0.21 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.73 1a3r h ILE 29 Cb 1.08 0.60 0.00 0.00 -1.09 0.00 0.00 36.82 37.40 1a3r h ILE 29 CO 0.93 0.00 0.00 0.29 -1.08 0.00 0.00 178.15 178.29 1a3r n LYS 30 N -2.51 0.24 -0.12 2.19 5.02 -1.26 -2.73 118.16 118.99 1a3r n LYS 30 Ca -0.02 0.06 0.04 0.00 -2.02 0.00 0.00 58.31 56.37 1a3r n LYS 30 Cb 0.15 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.77 1a3r n LYS 30 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1a3r n ASP 31 N -1.36 2.62 -4.38 4.39 8.00 -0.25 -4.65 116.55 120.92 1a3r n ASP 31 Ca 0.10 -1.95 -0.31 0.00 0.71 0.00 0.00 54.79 53.34 1a3r n ASP 31 Cb 0.23 -0.16 -0.15 0.00 -0.02 0.00 0.00 41.12 41.02 1a3r n ASP 31 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a3r s ILE 32 N -0.98 2.44 -0.46 0.53 -1.09 -1.10 -4.61 121.20 115.93 1a3r s ILE 32 Ca 0.17 -1.07 -0.17 0.00 -2.23 0.00 0.00 60.65 57.35 1a3r s ILE 32 Cb 0.09 -1.92 0.05 0.00 -1.58 0.00 0.00 42.46 39.10 1a3r s ILE 32 CO 0.12 0.51 0.44 -0.31 -1.23 0.00 0.00 174.94 174.47 1a3r s TYR 33 N -0.72 3.18 -0.04 3.97 2.02 -0.88 -4.40 117.35 120.48 1a3r s TYR 33 Ca 0.11 -0.67 -0.20 0.00 -0.37 0.00 0.00 57.07 55.94 1a3r s TYR 33 Cb -0.10 -3.12 -0.05 0.00 -0.40 0.00 0.00 41.96 38.29 1a3r s TYR 33 CO 0.01 -0.80 0.58 0.42 -1.57 0.00 0.00 175.55 174.19 1a3r s ILE 34 N 1.98 5.00 0.04 2.71 -1.09 -1.24 -1.70 121.20 126.91 1a3r s ILE 34 Ca 0.08 1.20 0.05 0.00 -2.23 0.00 0.00 60.65 59.75 1a3r s ILE 34 Cb -0.21 -3.92 -0.02 0.00 -1.58 0.00 0.00 42.46 36.73 1a3r s ILE 34 CO 0.10 0.37 -0.14 -1.00 -1.23 0.00 0.00 174.94 173.04 1a3r s HIS 35 N 0.15 1.25 -0.12 3.97 3.76 0.49 -1.07 115.29 123.72 1a3r s HIS 35 Ca 0.31 -0.35 0.01 0.00 -0.15 0.00 0.00 55.06 54.87 1a3r s HIS 35 Cb -0.17 -0.74 -0.01 0.00 1.11 0.00 0.00 32.58 32.76 1a3r s HIS 35 CO 0.16 0.04 -0.15 -1.58 -0.85 0.00 0.00 174.74 172.35 1a3r s TRP 36 N -0.85 2.75 -0.06 1.40 0.52 -0.68 -0.75 118.94 121.28 1a3r s TRP 36 Ca 0.02 -0.68 0.03 0.00 0.02 0.00 0.00 56.10 55.49 1a3r s TRP 36 Cb -0.08 -1.80 0.01 0.00 -1.15 0.00 0.00 33.47 30.45 1a3r s TRP 36 CO 0.01 -0.22 -0.15 0.08 0.02 0.00 0.00 176.95 176.70 1a3r s VAL 37 N 0.25 1.32 0.02 4.03 1.01 -0.28 -1.62 120.40 125.13 1a3r s VAL 37 Ca -0.10 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 1a3r s VAL 37 Cb -0.16 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1a3r s VAL 37 CO 0.06 0.39 0.13 -0.75 0.00 0.00 0.00 175.10 174.93 1a3r s LYS 38 N 0.39 3.20 -0.25 2.72 2.20 0.46 0.00 119.74 128.46 1a3r s LYS 38 Ca -0.11 -0.48 -0.02 0.00 -0.36 0.00 0.00 55.97 55.01 1a3r s LYS 38 Cb -0.14 -2.93 0.12 0.00 -1.51 0.00 0.00 37.83 33.37 1a3r s LYS 38 CO 0.04 0.63 0.30 -1.14 -0.36 0.00 0.00 175.35 174.82 1a3r s GLN 39 N -2.06 0.30 0.68 4.03 0.74 -0.45 -0.57 119.66 122.33 1a3r s GLN 39 Ca 0.28 0.15 -0.12 0.00 0.05 0.00 0.00 55.36 55.71 1a3r s GLN 39 Cb -0.12 -0.75 0.00 0.00 1.10 0.00 0.00 33.01 33.24 1a3r s GLN 39 CO 0.19 -0.82 1.07 1.03 -0.55 0.00 0.00 175.29 176.21 1a3r s ARG 40 N 2.41 2.91 -0.02 1.67 0.52 -1.26 -1.61 118.95 123.57 1a3r s ARG 40 Ca 0.09 1.08 -0.36 0.00 -0.52 0.00 0.00 55.73 56.03 1a3r s ARG 40 Cb -0.15 -1.98 -0.14 0.00 0.52 0.00 0.00 34.95 33.20 1a3r s ARG 40 CO -0.22 -1.13 1.64 -2.30 0.02 0.00 0.00 175.30 173.31 1a3r n PRO 41 N -2.87 1.70 -1.18 3.54 -0.02 -1.26 -1.72 135.00 133.18 1a3r n PRO 41 Ca 0.08 0.62 -0.06 0.00 -2.02 0.00 0.00 63.50 62.12 1a3r n PRO 41 Cb 0.53 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 1a3r n PRO 41 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1a3r n GLU 42 N 4.51 -1.72 -3.80 -0.52 1.02 -1.26 -4.97 120.64 113.91 1a3r n GLU 42 Ca 0.21 0.70 -0.25 0.00 -0.02 0.00 0.00 57.16 57.80 1a3r n GLU 42 Cb 0.23 -5.09 -0.00 0.00 -0.02 0.00 0.00 31.44 26.56 1a3r n GLU 42 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1a3r s GLN 43 N -2.45 2.27 0.86 3.49 -1.52 -0.70 -5.14 119.66 116.47 1a3r s GLN 43 Ca 0.00 -1.96 -0.10 0.00 -1.95 0.00 0.00 55.36 51.35 1a3r s GLN 43 Cb 0.00 -2.16 0.16 0.00 -0.22 0.00 0.00 33.01 30.79 1a3r s GLN 43 CO 0.00 -0.61 1.19 0.20 -0.25 0.00 0.00 175.29 175.82 1a3r s GLY 44 N -4.30 1.76 0.27 3.09 0.00 -1.26 -4.68 107.32 102.19 1a3r s GLY 44 Ca 0.37 -1.32 -0.29 0.00 0.00 0.00 0.00 44.72 43.47 1a3r s GLY 44 CO 0.23 -0.65 1.04 1.08 0.00 0.00 0.00 173.10 174.80 1a3r s LEU 45 N -5.60 4.58 -0.09 0.66 1.43 -1.26 -4.38 118.68 114.01 1a3r s LEU 45 Ca 0.70 2.15 0.00 0.00 -1.03 0.00 0.00 54.13 55.95 1a3r s LEU 45 Cb -0.05 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.55 1a3r s LEU 45 CO 0.50 -0.04 -0.07 -1.61 0.23 0.00 0.00 176.35 175.35 1a3r s GLU 46 N -1.39 1.38 -0.07 1.70 2.02 0.27 -4.99 118.70 117.63 1a3r s GLU 46 Ca 0.44 -0.23 -0.30 0.00 0.02 0.00 0.00 54.97 54.90 1a3r s GLU 46 Cb -0.29 -1.40 -0.03 0.00 0.10 0.00 0.00 34.13 32.51 1a3r s GLU 46 CO 0.37 -0.19 1.14 -0.46 0.02 0.00 0.00 175.26 176.14 1a3r s TRP 47 N 1.43 3.30 -0.19 1.61 -0.00 -1.26 -0.40 118.94 123.43 1a3r s TRP 47 Ca -0.01 1.34 -0.15 0.00 -0.00 0.00 0.00 56.10 57.28 1a3r s TRP 47 Cb -0.13 -3.35 -0.08 0.00 -0.00 0.00 0.00 33.47 29.91 1a3r s TRP 47 CO -0.04 -0.95 -0.19 -0.89 -0.00 0.00 0.00 176.95 174.88 1a3r n ILE 48 N 4.60 1.48 -3.91 5.86 5.41 -0.64 -4.64 119.36 127.51 1a3r n ILE 48 Ca 0.10 0.06 0.01 0.00 1.00 0.00 0.00 62.75 63.92 1a3r n ILE 48 Cb 0.47 -2.24 0.01 0.00 -0.71 0.00 0.00 39.64 37.17 1a3r n ILE 48 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1a3r s GLY 49 N -4.74 -0.09 0.01 7.39 0.00 -1.22 -1.40 107.32 107.26 1a3r s GLY 49 Ca -0.25 0.01 0.02 0.00 0.00 0.00 0.00 44.72 44.49 1a3r s GLY 49 CO 0.39 3.99 -0.05 -1.60 0.00 0.00 0.00 173.10 175.83 1a3r s ARG 50 N -2.13 0.40 -0.18 2.90 3.52 -0.40 -1.69 118.95 121.37 1a3r s ARG 50 Ca 0.25 -0.30 -0.05 0.00 -0.13 0.00 0.00 55.73 55.51 1a3r s ARG 50 Cb -0.00 -0.33 -0.03 0.00 -1.56 0.00 0.00 34.95 33.03 1a3r s ARG 50 CO 0.01 0.08 -0.01 -1.17 -0.81 0.00 0.00 175.30 173.40 1a3r s LEU 51 N -0.45 3.29 -0.23 -0.88 2.96 -0.23 -1.65 118.68 121.49 1a3r s LEU 51 Ca -0.01 -0.16 -0.23 0.00 -0.22 0.00 0.00 54.13 53.51 1a3r s LEU 51 Cb -0.04 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 1a3r s LEU 51 CO -0.00 0.11 0.75 -0.62 -1.32 0.00 0.00 176.35 175.27 1a3r s ASP 52 N 0.74 6.77 0.47 3.68 -1.08 -0.04 -3.64 116.67 123.57 1a3r s ASP 52 Ca -0.00 0.95 0.26 0.00 -0.52 0.00 0.00 52.55 53.24 1a3r s ASP 52 Cb -0.14 -2.40 1.06 0.00 -1.46 0.00 0.00 42.92 39.97 1a3r s ASP 52 CO 0.02 -0.43 1.88 1.55 0.52 0.00 0.00 175.17 178.72 1a3r h PRO 52 N 7.64 0.00 0.00 4.34 0.13 -1.87 -0.39 132.00 141.85 1a3r h PRO 52 Ca -0.26 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.77 1a3r h PRO 52 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1a3r h PRO 52 CO 0.83 0.17 -0.49 0.00 -0.23 0.00 0.00 178.00 178.28 1a3r h ALA 53 N 1.83 0.84 0.00 -0.56 0.00 -1.93 -3.40 119.26 116.04 1a3r h ALA 53 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1a3r h ALA 53 Cb 0.66 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1a3r h ALA 53 CO 0.02 0.61 0.00 0.27 0.00 0.00 0.00 179.25 180.15 1a3r n ASN 54 N -3.45 0.00 0.00 0.00 0.23 -1.22 -5.03 115.26 105.79 1a3r n ASN 54 Ca 0.00 -0.26 0.00 0.00 -0.53 0.00 0.00 54.58 53.79 1a3r n ASN 54 Cb 0.62 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.32 1a3r n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a3r n GLY 55 N 0.00 0.82 3.78 4.83 0.00 -0.16 -5.04 105.19 109.42 1a3r n GLY 55 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1a3r n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a3r s TYR 56 N -3.16 3.54 0.04 1.61 1.51 -1.25 -4.77 117.35 114.87 1a3r s TYR 56 Ca 0.00 1.73 0.08 0.00 -1.01 0.00 0.00 57.07 57.87 1a3r s TYR 56 Cb 0.00 -3.04 -0.03 0.00 -0.11 0.00 0.00 41.96 38.78 1a3r s TYR 56 CO 0.00 -0.17 -0.24 0.95 -1.11 0.00 0.00 175.55 174.98 1a3r s THR 57 N -1.56 1.96 0.01 -0.71 -4.23 -1.26 -0.86 115.64 108.99 1a3r s THR 57 Ca 0.52 -1.30 0.08 0.00 -1.18 0.00 0.00 61.69 59.81 1a3r s THR 57 Cb -0.22 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 71.91 1a3r s THR 57 CO 0.28 0.33 -0.23 -0.75 -0.54 0.00 0.00 174.62 173.71 1a3r s LYS 58 N -1.16 2.05 0.13 3.99 2.47 -0.66 -4.99 119.74 121.58 1a3r s LYS 58 Ca 0.10 -0.97 0.03 0.00 -1.56 0.00 0.00 55.97 53.58 1a3r s LYS 58 Cb -0.10 -2.10 -0.04 0.00 -1.46 0.00 0.00 37.83 34.13 1a3r s LYS 58 CO 0.02 0.55 -0.08 0.71 0.16 0.00 0.00 175.35 176.70 1a3r s TYR 59 N -0.75 1.12 0.09 4.03 1.51 -1.26 -1.28 117.35 120.81 1a3r s TYR 59 Ca 0.12 -0.83 -0.30 0.00 -1.01 0.00 0.00 57.07 55.04 1a3r s TYR 59 Cb -0.10 -0.60 -0.06 0.00 -0.11 0.00 0.00 41.96 41.09 1a3r s TYR 59 CO 0.01 -0.02 1.14 0.34 -1.11 0.00 0.00 175.55 175.91 1a3r s ASP 60 N -3.12 7.17 0.43 2.29 -1.08 -0.50 -4.93 116.67 116.94 1a3r s ASP 60 Ca 0.15 2.00 0.26 0.00 -0.52 0.00 0.00 52.55 54.44 1a3r s ASP 60 Cb 0.04 -2.59 1.31 0.00 -1.46 0.00 0.00 42.92 40.23 1a3r s ASP 60 CO -0.01 -0.36 1.69 -0.65 0.52 0.00 0.00 175.17 176.35 1a3r h PRO 61 N 6.24 0.19 0.00 4.34 0.11 -1.96 0.18 132.00 141.10 1a3r h PRO 61 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1a3r h PRO 61 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1a3r h PRO 61 CO 0.77 0.13 0.00 0.36 -0.21 0.00 0.00 178.00 179.05 1a3r n LYS 62 N -4.62 0.03 0.00 1.05 2.85 -1.26 -2.89 118.16 113.32 1a3r n LYS 62 Ca 0.32 0.18 0.05 0.00 -1.05 0.00 0.00 58.31 57.82 1a3r n LYS 62 Cb 1.22 -1.54 0.01 0.00 -0.65 0.00 0.00 35.03 34.06 1a3r n LYS 62 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1a3r n PHE 63 N -1.60 0.00 -0.26 5.58 3.72 0.03 -4.73 117.46 120.21 1a3r n PHE 63 Ca 0.05 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.50 1a3r n PHE 63 Cb 0.24 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 38.98 1a3r n PHE 63 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1a3r h GLN 64 N 1.35 0.40 -0.01 -1.08 1.08 -1.37 0.22 115.11 115.70 1a3r h GLN 64 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1a3r h GLN 64 Cb 0.38 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1a3r h GLN 64 CO 0.00 0.27 -0.07 0.41 -0.95 0.00 0.00 178.83 178.49 1a3r n GLY 65 N -1.33 -0.23 0.05 3.46 0.00 -1.26 -4.33 105.19 101.55 1a3r n GLY 65 Ca 0.15 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 1a3r n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a3r n LYS 66 N -0.12 0.63 -4.12 1.61 3.00 -0.76 -5.03 118.16 113.37 1a3r n LYS 66 Ca 0.17 0.05 -0.30 0.00 -0.00 0.00 0.00 58.31 58.24 1a3r n LYS 66 Cb 0.34 -1.21 -0.08 0.00 0.00 0.00 0.00 35.03 34.08 1a3r n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1a3r s ALA 67 N -2.21 3.33 -0.12 3.14 0.00 -0.01 -4.18 121.76 121.72 1a3r s ALA 67 Ca -0.13 -1.12 -0.05 0.00 0.00 0.00 0.00 51.96 50.67 1a3r s ALA 67 Cb 0.04 -1.22 0.06 0.00 0.00 0.00 0.00 23.12 21.99 1a3r s ALA 67 CO 0.26 0.69 0.25 0.99 0.00 0.00 0.00 175.76 177.95 1a3r s THR 68 N -1.36 -0.31 -0.18 0.00 2.01 -0.52 -4.77 115.64 110.52 1a3r s THR 68 Ca 0.27 0.26 -0.06 0.00 0.31 0.00 0.00 61.69 62.46 1a3r s THR 68 Cb -0.12 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 1a3r s THR 68 CO 0.19 0.11 0.03 -0.63 -0.69 0.00 0.00 174.62 173.63 1a3r s ILE 69 N 2.12 4.48 0.32 1.82 1.01 -1.26 -0.45 121.20 129.24 1a3r s ILE 69 Ca -0.01 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.52 1a3r s ILE 69 Cb -0.12 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1a3r s ILE 69 CO -0.08 0.47 0.13 0.42 0.00 0.00 0.00 174.94 175.87 1a3r s THR 70 N 0.42 0.56 0.01 2.92 -4.23 -0.96 -4.91 115.64 109.45 1a3r s THR 70 Ca 0.01 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.41 1a3r s THR 70 Cb -0.13 -2.54 0.01 0.00 1.34 0.00 0.00 72.50 71.18 1a3r s THR 70 CO 0.01 0.00 0.23 0.54 -0.54 0.00 0.00 174.62 174.86 1a3r s VAL 71 N -3.49 0.08 -0.44 2.29 0.11 -1.26 -0.87 120.40 116.82 1a3r s VAL 71 Ca 0.33 -0.67 0.02 0.00 -2.93 0.00 0.00 61.98 58.74 1a3r s VAL 71 Cb 0.05 -0.67 0.13 0.00 -1.53 0.00 0.00 36.38 34.37 1a3r s VAL 71 CO 0.16 -0.37 0.23 -0.62 -3.33 0.00 0.00 175.10 171.17 1a3r s ASP 72 N -1.61 3.77 0.53 3.54 2.15 -0.13 -5.00 116.67 119.92 1a3r s ASP 72 Ca -0.11 -2.58 0.21 0.00 0.43 0.00 0.00 52.55 50.50 1a3r s ASP 72 Cb -0.04 -1.09 1.37 0.00 -0.30 0.00 0.00 42.92 42.85 1a3r s ASP 72 CO 0.01 -0.28 2.10 0.71 -0.17 0.00 0.00 175.17 177.54 1a3r h THR 73 N 5.39 0.84 -0.02 1.71 1.35 -1.97 -2.27 112.91 117.94 1a3r h THR 73 Ca -0.03 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.78 1a3r h THR 73 Cb 0.93 0.90 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 1a3r h THR 73 CO 0.50 0.00 -0.22 0.77 -0.25 0.00 0.00 175.52 176.32 1a3r h SER 74 N 0.00 0.04 -0.21 5.36 4.64 -1.95 -3.02 113.55 118.41 1a3r h SER 74 Ca 0.09 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1a3r h SER 74 Cb 0.39 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1a3r h SER 74 CO -0.00 0.26 0.00 -1.54 -0.87 0.00 0.00 176.83 174.68 1a3r n SER 75 N -4.26 2.48 -3.54 4.97 3.41 -0.96 -5.00 113.62 110.72 1a3r n SER 75 Ca -0.02 -1.84 -0.25 0.00 -0.26 0.00 0.00 58.87 56.50 1a3r n SER 75 Cb 0.29 -0.14 0.05 0.00 -0.26 0.00 0.00 64.21 64.16 1a3r n SER 75 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1a3r n ASN 76 N 0.36 -5.85 -4.15 4.04 3.02 -0.89 -4.88 115.26 106.90 1a3r n ASN 76 Ca 0.08 -0.54 -0.28 0.00 -0.03 0.00 0.00 54.58 53.82 1a3r n ASN 76 Cb 0.35 -4.65 -0.16 0.00 -0.61 0.00 0.00 39.78 34.70 1a3r n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1a3r s THR 77 N -3.27 1.60 0.08 3.41 2.01 -1.07 -1.89 115.64 116.51 1a3r s THR 77 Ca 0.54 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.80 1a3r s THR 77 Cb -0.25 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 1a3r s THR 77 CO 0.67 0.46 0.00 0.00 -0.69 0.00 0.00 174.62 175.06 1a3r s ALA 78 N 0.23 3.31 0.13 7.40 0.00 0.10 -0.96 121.76 131.97 1a3r s ALA 78 Ca -0.10 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 50.85 1a3r s ALA 78 Cb -0.14 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 1a3r s ALA 78 CO 0.04 0.70 -0.17 0.71 0.00 0.00 0.00 175.76 177.04 1a3r s TYR 79 N -1.28 1.64 -0.15 0.00 2.02 -0.05 -0.59 117.35 118.94 1a3r s TYR 79 Ca 0.25 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 1a3r s TYR 79 Cb -0.12 -0.86 0.02 0.00 -0.40 0.00 0.00 41.96 40.61 1a3r s TYR 79 CO 0.17 0.22 -0.13 -1.17 -1.57 0.00 0.00 175.55 173.07 1a3r s LEU 80 N -2.29 1.66 -0.18 -1.29 2.96 -0.12 -2.25 118.68 117.17 1a3r s LEU 80 Ca 0.09 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.46 1a3r s LEU 80 Cb -0.07 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.46 1a3r s LEU 80 CO 0.05 -0.08 -0.02 -2.28 -1.32 0.00 0.00 176.35 172.70 1a3r s HIS 81 N 1.51 3.04 0.44 5.38 5.65 0.41 -0.67 115.29 131.05 1a3r s HIS 81 Ca 0.04 -0.38 0.06 0.00 0.25 0.00 0.00 55.06 55.03 1a3r s HIS 81 Cb -0.13 -2.03 -0.06 0.00 -1.18 0.00 0.00 32.58 29.19 1a3r s HIS 81 CO -0.10 -0.14 0.04 -0.51 -0.65 0.00 0.00 174.74 173.38 1a3r s LEU 82 N 0.70 2.76 0.00 8.88 1.43 -0.34 -1.43 118.68 130.68 1a3r s LEU 82 Ca -0.01 -1.40 0.00 0.00 -1.03 0.00 0.00 54.13 51.69 1a3r s LEU 82 Cb -0.14 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.15 1a3r s LEU 82 CO 0.02 -0.58 0.00 -1.20 0.23 0.00 0.00 176.35 174.82 1a3r n SER 82 N -1.10 0.00 -4.78 2.29 7.64 -1.19 -1.40 113.62 115.09 1a3r n SER 82 Ca -0.08 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.39 1a3r n SER 82 Cb 0.67 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1a3r n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1a3r s LEU 82 N -1.85 4.26 0.35 -3.43 1.43 -0.61 -4.66 118.68 114.18 1a3r s LEU 82 Ca 0.00 3.02 0.03 0.00 -1.03 0.00 0.00 54.13 56.15 1a3r s LEU 82 Cb 0.00 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 1a3r s LEU 82 CO 0.00 -0.96 0.12 0.42 0.23 0.00 0.00 176.35 176.16 1a3r s THR 83 N -1.14 0.62 -0.41 5.49 -4.23 -1.26 -0.78 115.64 113.92 1a3r s THR 83 Ca 0.55 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.24 1a3r s THR 83 Cb -0.46 -2.51 0.19 0.00 1.34 0.00 0.00 72.50 71.06 1a3r s THR 83 CO 0.61 0.00 1.56 -1.54 -0.54 0.00 0.00 174.62 174.72 1a3r n SER 84 N -1.01 0.47 0.08 3.99 3.41 -1.26 -0.84 113.62 118.46 1a3r n SER 84 Ca -0.02 0.69 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 1a3r n SER 84 Cb 0.65 -0.76 0.47 0.00 -0.26 0.00 0.00 64.21 64.30 1a3r n SER 84 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1a3r n GLU 85 N -2.11 0.17 0.00 4.33 4.71 -1.26 -3.04 120.64 123.44 1a3r n GLU 85 Ca -0.00 0.20 0.13 0.00 -0.01 0.00 0.00 57.16 57.47 1a3r n GLU 85 Cb 0.07 -1.72 0.35 0.00 -1.01 0.00 0.00 31.44 29.13 1a3r n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1a3r n ASP 86 N -2.02 1.79 -4.64 1.62 8.00 -0.02 -4.85 116.55 116.43 1a3r n ASP 86 Ca 0.05 -1.48 -0.43 0.00 0.71 0.00 0.00 54.79 53.64 1a3r n ASP 86 Cb 0.36 0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.51 1a3r n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1a3r s THR 87 N -2.15 3.96 0.01 -3.53 2.01 -1.17 -4.86 115.64 109.92 1a3r s THR 87 Ca 0.31 1.11 -0.23 0.00 0.31 0.00 0.00 61.69 63.19 1a3r s THR 87 Cb 0.20 -3.90 0.08 0.00 0.01 0.00 0.00 72.50 68.89 1a3r s THR 87 CO 0.39 -0.30 1.07 0.00 -0.69 0.00 0.00 174.62 175.09 1a3r n ALA 88 N 7.65 -2.99 -2.91 7.40 0.00 -0.82 -4.51 120.51 124.33 1a3r n ALA 88 Ca 0.16 -0.73 -0.34 0.00 0.00 0.00 0.00 53.44 52.53 1a3r n ALA 88 Cb 0.45 0.20 -0.11 0.00 0.00 0.00 0.00 19.45 19.99 1a3r n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1a3r s VAL 89 N -2.05 4.29 -0.22 0.00 1.01 -0.63 -0.73 120.40 122.07 1a3r s VAL 89 Ca 0.25 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 1a3r s VAL 89 Cb -0.01 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1a3r s VAL 89 CO 0.00 0.47 0.02 -0.31 0.00 0.00 0.00 175.10 175.29 1a3r s TYR 90 N 0.44 3.04 -0.08 5.22 1.51 -0.18 -1.34 117.35 125.97 1a3r s TYR 90 Ca -0.00 -0.53 -0.05 0.00 -1.01 0.00 0.00 57.07 55.48 1a3r s TYR 90 Cb -0.13 -2.15 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 1a3r s TYR 90 CO 0.02 -0.35 0.13 0.71 -1.11 0.00 0.00 175.55 174.95 1a3r s TYR 91 N 1.34 3.51 -0.23 2.71 2.02 0.10 -0.97 117.35 125.84 1a3r s TYR 91 Ca 0.04 0.42 -0.08 0.00 -0.37 0.00 0.00 57.07 57.08 1a3r s TYR 91 Cb -0.15 -1.88 -0.04 0.00 -0.40 0.00 0.00 41.96 39.50 1a3r s TYR 91 CO 0.01 0.67 0.09 0.00 -1.57 0.00 0.00 175.55 174.76 1a3r s ASP 93 N 1.13 3.49 -0.22 0.00 2.15 0.08 -1.33 116.67 121.97 1a3r s ASP 93 Ca 0.05 -0.57 0.02 0.00 0.43 0.00 0.00 52.55 52.48 1a3r s ASP 93 Cb -0.14 -1.56 0.04 0.00 -0.30 0.00 0.00 42.92 40.96 1a3r s ASP 93 CO 0.04 -0.00 -0.15 -0.83 -0.17 0.00 0.00 175.17 174.06 1a3r s GLY 94 N 1.34 1.51 -0.22 2.66 0.00 0.63 -0.38 107.32 112.86 1a3r s GLY 94 Ca 0.05 -1.49 -0.15 0.00 0.00 0.00 0.00 44.72 43.13 1a3r s GLY 94 CO -0.10 0.48 0.34 -0.47 0.00 0.00 0.00 173.10 173.35 1a3r s TYR 95 N 1.20 3.34 -0.49 1.90 6.14 -0.69 -1.04 117.35 127.72 1a3r s TYR 95 Ca -0.02 0.50 -0.08 0.00 0.64 0.00 0.00 57.07 58.10 1a3r s TYR 95 Cb -0.17 -2.48 0.12 0.00 0.42 0.00 0.00 41.96 39.86 1a3r s TYR 95 CO -0.09 -0.03 0.35 -0.47 0.64 0.00 0.00 175.55 175.95 1a3r s TYR 96 N 1.39 3.45 0.45 4.97 5.04 -0.26 -2.07 117.35 130.32 1a3r s TYR 96 Ca 0.16 -1.97 0.34 0.00 -2.44 0.00 0.00 57.07 53.16 1a3r s TYR 96 Cb -0.15 -3.47 1.77 0.00 0.35 0.00 0.00 41.96 40.46 1a3r s TYR 96 CO 0.08 -0.99 2.17 0.66 -1.34 0.00 0.00 175.55 176.13 1a3r h SER 97 N 8.32 0.00 0.46 4.32 4.64 -1.81 -2.20 113.55 127.28 1a3r h SER 97 Ca -0.18 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.09 1a3r h SER 97 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1a3r h SER 97 CO 0.84 0.05 -0.24 1.88 -0.87 0.00 0.00 176.83 178.49 1a3r h TYR 98 N 0.00 0.00 -0.01 4.77 0.05 -1.93 -2.62 116.97 117.23 1a3r h TYR 98 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1a3r h TYR 98 Cb 0.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.98 1a3r h TYR 98 CO 0.00 0.24 -0.36 0.66 -1.05 0.00 0.00 178.16 177.64 1a3r n TYR 99 N -3.79 0.00 -3.66 4.88 4.01 -1.06 -4.98 117.16 112.56 1a3r n TYR 99 Ca -0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.50 1a3r n TYR 99 Cb 0.34 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.42 1a3r n TYR 99 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1a3r n ASP 100 N -0.34 -3.21 -4.17 7.72 8.00 -0.87 -4.99 116.55 118.69 1a3r n ASP 100 Ca 0.06 -0.71 -0.22 0.00 0.71 0.00 0.00 54.79 54.63 1a3r n ASP 100 Cb 0.30 -4.48 -0.14 0.00 -0.02 0.00 0.00 41.12 36.78 1a3r n ASP 100 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1a3r s MET 100 N -6.03 1.08 -0.16 -1.24 1.75 -0.95 -5.03 119.30 108.72 1a3r s MET 100 Ca 0.26 -0.77 -0.03 0.00 -1.25 0.00 0.00 55.69 53.90 1a3r s MET 100 Cb -0.12 -1.11 -0.02 0.00 2.84 0.00 0.00 34.83 36.41 1a3r s MET 100 CO 0.78 0.28 -0.05 0.34 -0.65 0.00 0.00 175.02 175.72 1a3r s ASP 101 N -1.04 4.62 -0.04 1.11 2.15 -1.26 -1.10 116.67 121.10 1a3r s ASP 101 Ca 0.04 -0.20 0.06 0.00 0.43 0.00 0.00 52.55 52.88 1a3r s ASP 101 Cb -0.08 -1.75 -0.02 0.00 -0.30 0.00 0.00 42.92 40.77 1a3r s ASP 101 CO 0.01 0.14 -0.22 -0.31 -0.17 0.00 0.00 175.17 174.61 1a3r s TYR 102 N 0.55 2.46 0.12 -5.34 2.02 -0.21 -5.01 117.35 111.95 1a3r s TYR 102 Ca -0.04 -0.45 0.10 0.00 -0.37 0.00 0.00 57.07 56.31 1a3r s TYR 102 Cb -0.15 -1.57 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 1a3r s TYR 102 CO 0.03 -0.04 -0.26 -1.58 -1.57 0.00 0.00 175.55 172.13 1a3r s TRP 103 N -0.49 2.19 0.56 2.71 0.52 -1.26 -0.27 118.94 122.90 1a3r s TRP 103 Ca 0.06 -0.39 -0.00 0.00 0.02 0.00 0.00 56.10 55.79 1a3r s TRP 103 Cb -0.11 -1.19 0.03 0.00 -1.15 0.00 0.00 33.47 31.05 1a3r s TRP 103 CO 0.01 0.31 0.80 0.20 0.02 0.00 0.00 176.95 178.29 1a3r s GLY 104 N -2.03 1.75 0.00 0.98 0.00 -0.44 -3.24 107.32 104.34 1a3r s GLY 104 Ca 0.12 -1.19 0.17 0.00 0.00 0.00 0.00 44.72 43.83 1a3r s GLY 104 CO 0.06 -0.90 1.53 -1.55 0.00 0.00 0.00 173.10 172.24 1a3r n PRO 105 N -2.40 0.05 0.00 2.90 -0.04 -1.26 -4.67 135.00 129.57 1a3r n PRO 105 Ca 0.07 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1a3r n PRO 105 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1a3r n PRO 105 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a3r n GLY 106 N 0.22 -0.53 3.13 0.55 0.00 -1.26 -5.00 105.19 102.29 1a3r n GLY 106 Ca 0.05 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.26 1a3r n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a3r s THR 107 N -2.78 2.12 -0.19 2.61 2.01 -0.14 -4.91 115.64 114.35 1a3r s THR 107 Ca 0.00 -0.94 -0.26 0.00 0.31 0.00 0.00 61.69 60.80 1a3r s THR 107 Cb 0.00 -1.90 -0.01 0.00 0.01 0.00 0.00 72.50 70.60 1a3r s THR 107 CO 0.00 0.52 0.88 -0.55 -0.69 0.00 0.00 174.62 174.78 1a3r s SER 108 N 1.29 6.97 -0.18 3.53 0.15 -1.26 -1.01 113.70 123.19 1a3r s SER 108 Ca 0.05 1.20 -0.01 0.00 0.70 0.00 0.00 55.95 57.89 1a3r s SER 108 Cb -0.13 -2.47 -0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1a3r s SER 108 CO -0.12 -0.48 -0.11 -0.69 1.20 0.00 0.00 173.24 173.03 1a3r s VAL 109 N 2.51 2.94 -0.22 4.45 1.01 0.09 -1.47 120.40 129.71 1a3r s VAL 109 Ca 0.39 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1a3r s VAL 109 Cb -0.16 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1a3r s VAL 109 CO 0.10 0.49 -0.07 -0.89 0.00 0.00 0.00 175.10 174.73 1a3r s THR 110 N 1.04 3.04 -0.49 3.92 2.01 -0.35 -1.95 115.64 122.87 1a3r s THR 110 Ca -0.01 -0.71 -0.17 0.00 0.31 0.00 0.00 61.69 61.12 1a3r s THR 110 Cb -0.15 -2.42 0.07 0.00 0.01 0.00 0.00 72.50 70.02 1a3r s THR 110 CO -0.02 0.37 0.47 -0.69 -0.69 0.00 0.00 174.62 174.06 1a3r s VAL 111 N 1.41 5.12 0.07 3.82 1.01 -1.26 -1.57 120.40 129.00 1a3r s VAL 111 Ca 0.04 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.90 1a3r s VAL 111 Cb -0.15 -4.19 0.05 0.00 0.00 0.00 0.00 36.38 32.10 1a3r s VAL 111 CO -0.05 -0.66 0.53 -0.55 0.00 0.00 0.00 175.10 174.37 1a3r s SER 112 N 2.66 -0.46 0.00 3.32 0.15 -0.75 -4.72 113.70 113.90 1a3r s SER 112 Ca 0.07 0.13 0.24 0.00 0.70 0.00 0.00 55.95 57.10 1a3r s SER 112 Cb -0.23 0.51 0.42 0.00 -1.71 0.00 0.00 66.02 65.01 1a3r s SER 112 CO 0.08 -0.77 1.39 -1.54 1.20 0.00 0.00 173.24 173.60 1a3r n SER 113 N 0.24 2.89 -4.78 5.45 3.41 -1.26 -3.85 113.62 115.71 1a3r n SER 113 Ca -0.18 -1.92 -0.36 0.00 -0.26 0.00 0.00 58.87 56.16 1a3r n SER 113 Cb 0.61 -0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.45 1a3r n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a3r s ALA 114 N -1.80 2.83 0.34 7.33 0.00 -1.26 -5.03 121.76 124.15 1a3r s ALA 114 Ca 0.33 0.81 -0.08 0.00 0.00 0.00 0.00 51.96 53.03 1a3r s ALA 114 Cb 0.21 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.93 1a3r s ALA 114 CO 0.31 -0.62 0.65 0.15 0.00 0.00 0.00 175.76 176.24 1a3r s LYS 115 N -3.06 3.70 0.01 0.00 -0.14 -1.26 -5.03 119.74 113.97 1a3r s LYS 115 Ca 0.68 0.22 -0.30 0.00 -1.36 0.00 0.00 55.97 55.21 1a3r s LYS 115 Cb -0.24 -2.54 -0.06 0.00 -1.68 0.00 0.00 37.83 33.31 1a3r s LYS 115 CO 0.28 0.11 1.56 0.99 -0.76 0.00 0.00 175.35 177.53 1a3r s THR 116 N -2.19 3.45 -0.03 2.17 2.01 -1.26 -4.72 115.64 115.06 1a3r s THR 116 Ca 0.47 0.78 0.03 0.00 0.31 0.00 0.00 61.69 63.29 1a3r s THR 116 Cb -0.11 -3.50 -0.00 0.00 0.01 0.00 0.00 72.50 68.90 1a3r s THR 116 CO 0.30 -0.02 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.19 1a3r s THR 117 N 2.95 1.07 0.43 -0.82 2.01 0.24 -4.95 115.64 116.57 1a3r s THR 117 Ca 0.70 -0.53 -0.22 0.00 0.31 0.00 0.00 61.69 61.95 1a3r s THR 117 Cb -0.35 -0.92 -0.10 0.00 0.01 0.00 0.00 72.50 71.14 1a3r s THR 117 CO 0.29 0.32 0.98 0.00 -0.69 0.00 0.00 174.62 175.51 1a3r s ALA 118 N 0.05 3.02 0.63 7.40 0.00 -1.26 -1.77 121.76 129.84 1a3r s ALA 118 Ca -0.02 0.48 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 1a3r s ALA 118 Cb -0.09 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 1a3r s ALA 118 CO 0.01 0.01 1.03 -1.25 0.00 0.00 0.00 175.76 175.56 1a3r s PRO 119 N -3.02 3.41 -0.19 0.00 0.04 -1.26 -4.55 135.00 129.42 1a3r s PRO 119 Ca 0.62 0.64 -0.04 0.00 0.04 0.00 0.00 61.00 62.25 1a3r s PRO 119 Cb -0.13 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 1a3r s PRO 119 CO 0.17 -0.67 -0.02 -1.12 0.04 0.00 0.00 177.00 175.40 1a3r s SER 120 N -4.22 4.72 -0.15 6.66 0.01 -0.64 -4.97 113.70 115.10 1a3r s SER 120 Ca 0.55 -0.22 -0.03 0.00 1.31 0.00 0.00 55.95 57.57 1a3r s SER 120 Cb -0.11 -1.79 -0.02 0.00 0.21 0.00 0.00 66.02 64.30 1a3r s SER 120 CO 0.53 0.08 -0.06 -0.69 0.41 0.00 0.00 173.24 173.51 1a3r s VAL 121 N 0.89 3.69 -0.09 3.43 1.01 -1.26 -1.40 120.40 126.66 1a3r s VAL 121 Ca 0.00 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1a3r s VAL 121 Cb -0.14 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.64 1a3r s VAL 121 CO 0.02 0.50 -0.18 -0.31 0.00 0.00 0.00 175.10 175.13 1a3r s TYR 122 N 0.39 2.05 0.20 5.22 2.02 0.10 -4.99 117.35 122.34 1a3r s TYR 122 Ca -0.05 -0.87 -0.30 0.00 -0.37 0.00 0.00 57.07 55.48 1a3r s TYR 122 Cb -0.15 -1.43 -0.08 0.00 -0.40 0.00 0.00 41.96 39.90 1a3r s TYR 122 CO 0.03 -0.40 0.98 -1.25 -1.57 0.00 0.00 175.55 173.34 1a3r s PRO 123 N 0.65 4.77 -0.37 -1.71 0.04 -1.26 -1.03 135.00 136.09 1a3r s PRO 123 Ca -0.13 1.54 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 1a3r s PRO 123 Cb -0.16 -3.30 0.10 0.00 0.04 0.00 0.00 34.50 31.18 1a3r s PRO 123 CO 0.04 0.36 0.12 -0.51 0.04 0.00 0.00 177.00 177.05 1a3r s LEU 124 N -0.82 4.83 0.17 -3.56 1.43 -0.48 -4.94 118.68 115.31 1a3r s LEU 124 Ca 0.44 -1.91 -0.05 0.00 -1.03 0.00 0.00 54.13 51.58 1a3r s LEU 124 Cb -0.26 -1.75 -0.06 0.00 0.03 0.00 0.00 46.19 44.15 1a3r s LEU 124 CO 0.33 -0.44 0.41 0.00 0.23 0.00 0.00 176.35 176.88 1a3r s ALA 125 N 1.10 3.75 0.90 4.21 0.00 -1.26 -2.16 121.76 128.29 1a3r s ALA 125 Ca 0.06 -0.54 -0.14 0.00 0.00 0.00 0.00 51.96 51.34 1a3r s ALA 125 Cb -0.21 -2.17 -0.00 0.00 0.00 0.00 0.00 23.12 20.73 1a3r s ALA 125 CO -0.05 0.61 0.30 -2.30 0.00 0.00 0.00 175.76 174.32 1a3r n PRO 126 N -0.06 -0.12 -1.74 0.00 -0.02 -1.26 -4.87 135.00 126.93 1a3r n PRO 126 Ca -0.02 0.01 -0.42 0.00 -2.02 0.00 0.00 63.50 61.05 1a3r n PRO 126 Cb 0.52 -1.75 -0.01 0.00 -0.02 0.00 0.00 33.50 32.24 1a3r n PRO 126 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1a3r n VAL 127 N -3.17 1.52 -0.45 -1.45 0.31 -1.26 -4.69 118.33 109.14 1a3r n VAL 127 Ca 0.07 -0.38 -0.38 0.00 -0.01 0.00 0.00 64.34 63.63 1a3r n VAL 127 Cb 0.53 -1.84 -0.10 0.00 -0.91 0.00 0.00 33.84 31.52 1a3r n VAL 127 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1a3r n SER 136 N 8.36 0.00 -4.21 0.00 2.88 -1.26 -5.08 113.62 114.31 1a3r n SER 136 Ca 0.40 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.79 1a3r n SER 136 Cb 0.36 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.72 1a3r n SER 136 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1a3r s SER 137 N 0.00 1.66 -0.02 -3.46 0.01 -1.26 -1.86 113.70 108.77 1a3r s SER 137 Ca 0.00 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.38 1a3r s SER 137 Cb 0.00 -0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.24 1a3r s SER 137 CO 0.00 -0.27 0.02 0.54 0.41 0.00 0.00 173.24 173.94 1a3r s VAL 138 N -2.70 -0.01 -0.20 3.43 0.11 -0.45 -4.77 120.40 115.82 1a3r s VAL 138 Ca 0.10 0.14 -0.06 0.00 -2.93 0.00 0.00 61.98 59.23 1a3r s VAL 138 Cb -0.01 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.71 1a3r s VAL 138 CO 0.01 0.08 0.04 -0.89 -3.33 0.00 0.00 175.10 171.00 1a3r s THR 139 N 0.80 4.37 0.32 5.04 2.01 -1.26 -1.77 115.64 125.16 1a3r s THR 139 Ca -0.07 -0.17 0.08 0.00 0.31 0.00 0.00 61.69 61.84 1a3r s THR 139 Cb -0.10 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 1a3r s THR 139 CO -0.02 0.43 0.11 -0.76 -0.69 0.00 0.00 174.62 173.70 1a3r s LEU 140 N 0.76 3.26 0.26 4.42 1.43 0.03 -4.59 118.68 124.24 1a3r s LEU 140 Ca 0.02 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.33 1a3r s LEU 140 Cb -0.14 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1a3r s LEU 140 CO 0.02 -0.23 0.34 -0.83 0.23 0.00 0.00 176.35 175.88 1a3r s GLY 141 N -3.81 1.21 -0.10 -3.19 0.00 -0.92 -1.01 107.32 99.50 1a3r s GLY 141 Ca 0.36 -1.41 -0.04 0.00 0.00 0.00 0.00 44.72 43.63 1a3r s GLY 141 CO 0.22 -1.05 0.21 0.00 0.00 0.00 0.00 173.10 172.49 1a3r s LEU 143 N 1.68 3.08 -0.35 0.00 2.96 -0.20 -1.44 118.68 124.41 1a3r s LEU 143 Ca -0.05 -0.32 -0.07 0.00 -0.22 0.00 0.00 54.13 53.48 1a3r s LEU 143 Cb -0.11 -1.79 0.05 0.00 0.50 0.00 0.00 46.19 44.83 1a3r s LEU 143 CO -0.07 -0.01 0.12 -0.69 -1.32 0.00 0.00 176.35 174.38 1a3r s VAL 144 N 1.42 3.81 0.07 1.68 1.01 0.24 -0.72 120.40 127.91 1a3r s VAL 144 Ca 0.05 -1.18 0.09 0.00 0.00 0.00 0.00 61.98 60.94 1a3r s VAL 144 Cb -0.14 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1a3r s VAL 144 CO -0.01 -0.23 -0.25 -0.75 0.00 0.00 0.00 175.10 173.87 1a3r s LYS 145 N 1.40 1.52 -0.81 2.72 2.20 -0.50 -0.82 119.74 125.46 1a3r s LYS 145 Ca -0.01 -1.14 -0.01 0.00 -0.36 0.00 0.00 55.97 54.45 1a3r s LYS 145 Cb -0.20 -1.78 -0.01 0.00 -1.51 0.00 0.00 37.83 34.33 1a3r s LYS 145 CO 0.03 0.44 0.68 0.41 -0.36 0.00 0.00 175.35 176.55 1a3r n GLY 146 N 1.49 -0.20 3.42 5.54 0.00 -0.66 -1.62 105.19 113.16 1a3r n GLY 146 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 1a3r n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1a3r s TYR 147 N -3.25 2.06 -0.28 1.61 1.13 -1.15 -4.36 117.35 113.10 1a3r s TYR 147 Ca 0.07 -0.44 -0.20 0.00 -1.41 0.00 0.00 57.07 55.08 1a3r s TYR 147 Cb -0.01 -0.93 0.11 0.00 -1.10 0.00 0.00 41.96 40.02 1a3r s TYR 147 CO 0.51 0.56 0.87 0.12 -2.51 0.00 0.00 175.55 175.09 1a3r s PHE 148 N -2.71 -0.72 0.00 -3.49 5.36 -0.73 -1.09 117.98 114.61 1a3r s PHE 148 Ca 0.27 1.56 0.00 0.00 -0.96 0.00 0.00 56.93 57.80 1a3r s PHE 148 Cb -0.03 0.41 0.00 0.00 -0.34 0.00 0.00 43.02 43.07 1a3r s PHE 148 CO 0.12 -0.35 0.00 -0.35 -1.46 0.00 0.00 175.22 173.18 1a3r n PRO 149 N 3.28 1.30 -1.96 10.12 -0.04 -1.26 -0.60 135.00 145.84 1a3r n PRO 149 Ca -0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.98 1a3r n PRO 149 Cb 0.57 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.04 1a3r n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1a3r s GLU 150 N -1.01 3.39 0.54 0.54 0.41 -1.26 -4.78 118.70 116.53 1a3r s GLU 150 Ca 0.00 1.02 0.04 0.00 -0.41 0.00 0.00 54.97 55.62 1a3r s GLU 150 Cb 0.00 -2.05 0.03 0.00 -1.78 0.00 0.00 34.13 30.33 1a3r s GLU 150 CO 0.00 -0.74 0.28 -1.25 -0.49 0.00 0.00 175.26 173.07 1a3r s PRO 151 N -4.50 2.24 0.04 0.39 0.04 -1.26 -4.97 135.00 126.98 1a3r s PRO 151 Ca 0.60 -2.15 0.05 0.00 0.04 0.00 0.00 61.00 59.54 1a3r s PRO 151 Cb -0.13 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 1a3r s PRO 151 CO 0.43 -0.55 -0.14 0.14 0.04 0.00 0.00 177.00 176.92 1a3r s VAL 152 N -2.81 1.09 -0.08 -0.36 -7.23 -1.26 -4.30 120.40 105.44 1a3r s VAL 152 Ca 0.25 -1.01 0.01 0.00 -1.81 0.00 0.00 61.98 59.42 1a3r s VAL 152 Cb -0.01 -0.99 -0.02 0.00 0.56 0.00 0.00 36.38 35.91 1a3r s VAL 152 CO 0.15 -0.02 -0.11 0.42 -0.31 0.00 0.00 175.10 175.23 1a3r s THR 153 N -0.89 3.32 -0.02 5.32 -4.23 -0.63 -4.97 115.64 113.53 1a3r s THR 153 Ca 0.01 -0.61 0.04 0.00 -1.18 0.00 0.00 61.69 59.95 1a3r s THR 153 Cb -0.08 -2.35 -0.00 0.00 1.34 0.00 0.00 72.50 71.40 1a3r s THR 153 CO 0.01 0.57 -0.13 -0.22 -0.54 0.00 0.00 174.62 174.31 1a3r s LEU 154 N -0.40 1.92 0.11 4.79 0.20 -1.26 -1.67 118.68 122.36 1a3r s LEU 154 Ca 0.05 -0.26 -0.00 0.00 0.69 0.00 0.00 54.13 54.61 1a3r s LEU 154 Cb -0.12 -0.74 -0.04 0.00 -0.43 0.00 0.00 46.19 44.86 1a3r s LEU 154 CO 0.02 0.14 0.00 0.42 -0.29 0.00 0.00 176.35 176.64 1a3r s THR 156 N -0.07 0.32 -0.11 3.68 -4.23 -0.57 -5.00 115.64 109.66 1a3r s THR 156 Ca 0.00 -1.89 0.01 0.00 -1.18 0.00 0.00 61.69 58.64 1a3r s THR 156 Cb -0.08 -1.83 -0.02 0.00 1.34 0.00 0.00 72.50 71.92 1a3r s THR 156 CO 0.00 -0.70 -0.15 0.26 -0.54 0.00 0.00 174.62 173.49 1a3r s TRP 157 N -3.88 2.74 -1.48 3.99 0.52 -1.26 -0.70 118.94 118.86 1a3r s TRP 157 Ca 0.17 -0.60 -0.05 0.00 0.02 0.00 0.00 56.10 55.63 1a3r s TRP 157 Cb 0.07 -1.77 0.04 0.00 -1.15 0.00 0.00 33.47 30.66 1a3r s TRP 157 CO -0.03 -0.16 0.56 0.09 0.02 0.00 0.00 176.95 177.44 1a3r n ASN 162 N 3.25 -1.41 -1.16 2.95 3.02 0.07 -0.63 115.26 121.35 1a3r n ASN 162 Ca -0.18 -0.98 -0.15 0.00 -0.03 0.00 0.00 54.58 53.24 1a3r n ASN 162 Cb 0.53 -3.12 -0.07 0.00 -0.61 0.00 0.00 39.78 36.52 1a3r n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1a3r n SER 163 N -2.90 -5.61 0.00 6.41 7.64 -1.26 -1.58 113.62 116.31 1a3r n SER 163 Ca -0.19 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1a3r n SER 163 Cb 0.63 -4.45 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 1a3r n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a3r n GLY 164 N -0.07 0.38 0.20 0.23 0.00 0.20 -4.96 105.19 101.17 1a3r n GLY 164 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1a3r n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a3r h SER 165 N 0.00 0.60 -3.46 1.61 0.02 -1.25 -3.38 113.55 107.69 1a3r h SER 165 Ca 0.00 -0.21 -0.62 0.00 -0.84 0.00 0.00 61.79 60.12 1a3r h SER 165 Cb 0.00 -0.16 -0.13 0.00 0.14 0.00 0.00 62.40 62.25 1a3r h SER 165 CO 0.00 0.66 0.43 -0.22 -1.14 0.00 0.00 176.83 176.56 1a3r s LEU 166 N -9.68 4.22 0.00 5.07 2.96 -1.16 -4.82 118.68 115.27 1a3r s LEU 166 Ca -0.13 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 1a3r s LEU 166 Cb 0.10 -2.91 0.00 0.00 0.50 0.00 0.00 46.19 43.88 1a3r s LEU 166 CO 0.77 -1.04 0.00 -1.54 -1.32 0.00 0.00 176.35 173.22 1a3r n SER 167 N 6.99 1.77 -4.84 3.68 3.41 -1.26 -4.29 113.62 119.08 1a3r n SER 167 Ca 0.02 -0.13 -0.35 0.00 -0.26 0.00 0.00 58.87 58.14 1a3r n SER 167 Cb 0.48 0.62 -0.06 0.00 -0.26 0.00 0.00 64.21 64.99 1a3r n SER 167 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1a3r s SER 168 N -0.98 6.88 -0.89 4.04 0.01 -1.26 -4.06 113.70 117.44 1a3r s SER 168 Ca 0.00 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.41 1a3r s SER 168 Cb 0.00 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1a3r s SER 168 CO 0.00 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.35 1a3r n GLY 169 N 0.80 0.38 3.61 3.44 0.00 -1.26 -4.67 105.19 107.50 1a3r n GLY 169 Ca -0.05 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 1a3r n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a3r s VAL 171 N -2.44 4.17 -0.17 1.61 1.01 -1.26 -1.31 120.40 122.02 1a3r s VAL 171 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1a3r s VAL 171 Cb 0.00 -2.78 0.05 0.00 0.00 0.00 0.00 36.38 33.64 1a3r s VAL 171 CO 0.00 0.56 -0.03 -1.00 0.00 0.00 0.00 175.10 174.63 1a3r s HIS 172 N -0.40 1.51 -0.23 5.22 3.76 -0.12 -5.00 115.29 120.03 1a3r s HIS 172 Ca 0.07 -1.01 -0.05 0.00 -0.15 0.00 0.00 55.06 53.92 1a3r s HIS 172 Cb -0.12 -1.22 -0.02 0.00 1.11 0.00 0.00 32.58 32.33 1a3r s HIS 172 CO 0.02 -0.60 0.01 0.99 -0.85 0.00 0.00 174.74 174.31 1a3r s THR 173 N 1.70 3.85 0.21 1.30 2.01 -1.26 -0.93 115.64 122.52 1a3r s THR 173 Ca 0.00 -0.33 -0.16 0.00 0.31 0.00 0.00 61.69 61.51 1a3r s THR 173 Cb -0.16 -2.77 -0.08 0.00 0.01 0.00 0.00 72.50 69.50 1a3r s THR 173 CO -0.07 0.39 0.64 -0.36 -0.69 0.00 0.00 174.62 174.53 1a3r s PHE 174 N 1.47 3.56 0.35 4.92 0.40 -0.73 -5.03 117.98 122.93 1a3r s PHE 174 Ca 0.05 1.18 -0.29 0.00 -0.60 0.00 0.00 56.93 57.28 1a3r s PHE 174 Cb -0.15 -2.48 -0.11 0.00 0.51 0.00 0.00 43.02 40.80 1a3r s PHE 174 CO 0.00 0.32 1.51 -2.30 0.70 0.00 0.00 175.22 175.46 1a3r n PRO 175 N 0.47 2.67 -2.11 0.24 -0.02 -1.26 -4.38 135.00 130.61 1a3r n PRO 175 Ca -0.02 0.94 -0.38 0.00 -2.02 0.00 0.00 63.50 62.01 1a3r n PRO 175 Cb 0.52 -2.68 -0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1a3r n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a3r s ALA 176 N -0.82 3.11 -0.13 3.55 0.00 -1.26 -4.87 121.76 121.34 1a3r s ALA 176 Ca 0.56 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.68 1a3r s ALA 176 Cb -0.48 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.19 1a3r s ALA 176 CO 0.60 -0.81 -0.22 0.08 0.00 0.00 0.00 175.76 175.41 1a3r s VAL 177 N -1.36 2.03 0.01 0.00 1.01 -0.68 -4.93 120.40 116.47 1a3r s VAL 177 Ca 0.61 -0.97 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 1a3r s VAL 177 Cb -0.35 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1a3r s VAL 177 CO 0.44 0.55 0.66 -0.22 0.00 0.00 0.00 175.10 176.52 1a3r s LEU 178 N 0.72 4.42 -0.24 3.92 2.96 -1.26 -2.12 118.68 127.07 1a3r s LEU 178 Ca -0.10 1.26 -0.04 0.00 -0.22 0.00 0.00 54.13 55.04 1a3r s LEU 178 Cb -0.16 -3.04 0.13 0.00 0.50 0.00 0.00 46.19 43.62 1a3r s LEU 178 CO 0.00 0.06 0.43 -1.58 -1.32 0.00 0.00 176.35 173.94 1a3r s GLN 179 N -0.09 0.38 -1.11 1.98 0.74 -0.35 -4.93 119.66 116.29 1a3r s GLN 179 Ca 0.34 0.74 -0.03 0.00 0.05 0.00 0.00 55.36 56.46 1a3r s GLN 179 Cb -0.19 -0.11 0.00 0.00 1.10 0.00 0.00 33.01 33.81 1a3r s GLN 179 CO 0.19 -0.54 0.95 0.43 -0.55 0.00 0.00 175.29 175.77 1a3r n SER 180 N 5.38 -3.53 -1.05 6.67 7.64 -1.26 -3.05 113.62 124.42 1a3r n SER 180 Ca -0.04 -0.52 -0.13 0.00 1.01 0.00 0.00 58.87 59.18 1a3r n SER 180 Cb 0.50 -4.55 -0.05 0.00 -1.01 0.00 0.00 64.21 59.10 1a3r n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1a3r n ASP 183 N -2.73 -4.54 -3.81 6.43 8.00 -1.26 -5.01 116.55 113.64 1a3r n ASP 183 Ca -0.15 0.29 -0.13 0.00 0.71 0.00 0.00 54.79 55.51 1a3r n ASP 183 Cb 0.61 -3.24 -0.14 0.00 -0.02 0.00 0.00 41.12 38.33 1a3r n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1a3r s LEU 184 N -3.07 1.37 0.24 0.64 1.43 -1.17 -4.79 118.68 113.33 1a3r s LEU 184 Ca 0.00 0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.22 1a3r s LEU 184 Cb 0.00 0.20 -0.05 0.00 0.03 0.00 0.00 46.19 46.37 1a3r s LEU 184 CO 0.00 -0.07 0.46 -0.31 0.23 0.00 0.00 176.35 176.66 1a3r s TYR 185 N 0.51 3.48 -0.03 0.29 2.02 -0.25 -1.20 117.35 122.16 1a3r s TYR 185 Ca -0.04 0.50 0.02 0.00 -0.37 0.00 0.00 57.07 57.18 1a3r s TYR 185 Cb -0.06 -1.98 0.01 0.00 -0.40 0.00 0.00 41.96 39.53 1a3r s TYR 185 CO -0.02 0.29 -0.06 0.99 -1.57 0.00 0.00 175.55 175.18 1a3r s THR 186 N -1.94 0.60 0.05 -0.71 2.01 -0.90 -1.66 115.64 113.08 1a3r s THR 186 Ca 0.41 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.20 1a3r s THR 186 Cb -0.11 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 1a3r s THR 186 CO 0.29 0.21 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.15 1a3r s LEU 187 N 0.44 2.32 0.10 4.42 0.20 0.00 -1.69 118.68 124.47 1a3r s LEU 187 Ca -0.06 -0.66 -0.05 0.00 0.69 0.00 0.00 54.13 54.05 1a3r s LEU 187 Cb -0.10 -0.06 -0.02 0.00 -0.43 0.00 0.00 46.19 45.57 1a3r s LEU 187 CO 0.00 -0.31 0.11 -0.94 -0.29 0.00 0.00 176.35 174.93 1a3r s SER 188 N -1.95 0.26 -0.09 3.68 1.04 -1.26 -0.59 113.70 114.79 1a3r s SER 188 Ca -0.06 -0.94 -0.14 0.00 0.48 0.00 0.00 55.95 55.30 1a3r s SER 188 Cb -0.06 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.40 1a3r s SER 188 CO -0.02 -0.72 0.35 -0.55 0.98 0.00 0.00 173.24 173.28 1a3r s SER 189 N -2.95 -0.32 0.06 7.02 0.15 -0.52 -1.77 113.70 115.38 1a3r s SER 189 Ca 0.13 0.51 0.08 0.00 0.70 0.00 0.00 55.95 57.36 1a3r s SER 189 Cb 0.06 0.59 -0.03 0.00 -1.71 0.00 0.00 66.02 64.93 1a3r s SER 189 CO -0.05 -0.25 -0.21 -0.94 1.20 0.00 0.00 173.24 172.99 1a3r s SER 190 N -0.36 2.51 -0.03 5.45 1.04 -0.11 -0.85 113.70 121.34 1a3r s SER 190 Ca -0.05 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 55.81 1a3r s SER 190 Cb -0.03 -0.18 0.02 0.00 0.10 0.00 0.00 66.02 65.92 1a3r s SER 190 CO 0.02 0.13 -0.03 0.54 0.98 0.00 0.00 173.24 174.88 1a3r s VAL 191 N -0.93 0.39 -0.20 5.02 0.11 -0.18 -0.95 120.40 123.66 1a3r s VAL 191 Ca 0.07 -0.06 -0.03 0.00 -2.93 0.00 0.00 61.98 59.03 1a3r s VAL 191 Cb -0.09 -0.43 -0.01 0.00 -1.53 0.00 0.00 36.38 34.32 1a3r s VAL 191 CO 0.03 0.18 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.04 1a3r s THR 192 N 0.82 3.43 0.26 5.04 2.01 -0.43 -0.79 115.64 125.98 1a3r s THR 192 Ca -0.10 -0.49 0.05 0.00 0.31 0.00 0.00 61.69 61.47 1a3r s THR 192 Cb -0.13 -2.54 -0.06 0.00 0.01 0.00 0.00 72.50 69.79 1a3r s THR 192 CO -0.00 0.44 -0.04 0.68 -0.69 0.00 0.00 174.62 175.01 1a3r s VAL 193 N 1.17 1.42 0.53 3.82 -7.23 -0.73 -4.68 120.40 114.70 1a3r s VAL 193 Ca 0.02 -2.09 -0.20 0.00 -1.81 0.00 0.00 61.98 57.90 1a3r s VAL 193 Cb -0.14 -2.40 -0.06 0.00 0.56 0.00 0.00 36.38 34.33 1a3r s VAL 193 CO -0.01 -0.32 1.12 0.42 -0.31 0.00 0.00 175.10 176.00 1a3r s THR 194 N -3.16 3.24 -1.03 5.32 -4.23 -1.26 -1.34 115.64 113.17 1a3r s THR 194 Ca 0.29 0.79 0.02 0.00 -1.18 0.00 0.00 61.69 61.61 1a3r s THR 194 Cb 0.04 -3.33 0.02 0.00 1.34 0.00 0.00 72.50 70.57 1a3r s THR 194 CO 0.10 -0.15 1.04 -1.54 -0.54 0.00 0.00 174.62 173.54 1a3r n SER 195 N -1.17 0.00 0.03 3.99 3.41 -0.78 -1.35 113.62 117.76 1a3r n SER 195 Ca 0.11 0.48 -0.04 0.00 -0.26 0.00 0.00 58.87 59.16 1a3r n SER 195 Cb 0.51 -0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 63.88 1a3r n SER 195 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1a3r h SER 196 N 0.00 0.00 0.05 4.04 0.02 -1.90 -3.37 113.55 112.39 1a3r h SER 196 Ca 0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 1a3r h SER 196 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1a3r h SER 196 CO 0.00 0.81 -0.80 0.74 -1.14 0.00 0.00 176.83 176.44 1a3r h THR 198 N 0.00 1.32 -4.27 -2.27 2.02 -1.58 -3.41 112.91 104.72 1a3r h THR 198 Ca -0.16 -2.09 -0.57 0.00 0.77 0.00 0.00 66.41 64.36 1a3r h THR 198 Cb 1.75 2.09 -0.28 0.00 -1.74 0.00 0.00 68.15 69.98 1a3r h THR 198 CO 0.08 0.65 -0.84 0.86 0.37 0.00 0.00 175.52 176.64 1a3r s TRP 199 N -3.63 1.71 -2.08 3.16 -0.00 -1.23 -0.94 118.94 115.93 1a3r s TRP 199 Ca -0.08 -0.34 0.13 0.00 -0.00 0.00 0.00 56.10 55.80 1a3r s TRP 199 Cb 0.09 -1.06 0.48 0.00 -0.00 0.00 0.00 33.47 32.98 1a3r s TRP 199 CO 0.88 0.02 1.35 -0.35 -0.00 0.00 0.00 176.95 178.86 1a3r n PRO 200 N 2.26 1.57 -0.34 5.86 -0.04 -1.26 -4.74 135.00 138.31 1a3r n PRO 200 Ca -0.16 -0.88 0.09 0.00 -0.04 0.00 0.00 63.50 62.51 1a3r n PRO 200 Cb 0.53 -1.27 0.28 0.00 -0.04 0.00 0.00 33.50 33.01 1a3r n PRO 200 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1a3r h SER 202 N 1.55 0.84 -3.93 3.54 4.64 -1.80 -3.39 113.55 115.00 1a3r h SER 202 Ca 0.00 0.05 -0.69 0.00 -0.47 0.00 0.00 61.79 60.69 1a3r h SER 202 Cb 0.35 -0.12 -0.25 0.00 -0.31 0.00 0.00 62.40 62.08 1a3r h SER 202 CO 0.00 0.43 -0.78 -1.10 -0.87 0.00 0.00 176.83 174.51 1a3r s GLN 203 N -5.87 2.64 0.35 4.77 -0.21 -0.12 -5.11 119.66 116.11 1a3r s GLN 203 Ca -0.11 -0.71 -0.27 0.00 0.02 0.00 0.00 55.36 54.28 1a3r s GLN 203 Cb 0.23 -2.40 -0.09 0.00 1.00 0.00 0.00 33.01 31.75 1a3r s GLN 203 CO 0.80 0.54 1.16 -1.54 -2.12 0.00 0.00 175.29 174.13 1a3r s SER 204 N -0.51 6.84 -0.10 5.90 1.04 -1.26 -4.50 113.70 121.12 1a3r s SER 204 Ca 0.07 2.35 0.02 0.00 0.48 0.00 0.00 55.95 58.86 1a3r s SER 204 Cb -0.12 -2.62 0.01 0.00 0.10 0.00 0.00 66.02 63.40 1a3r s SER 204 CO 0.01 -0.45 -0.15 -0.63 0.98 0.00 0.00 173.24 173.00 1a3r s ILE 205 N -1.31 1.44 0.01 -1.02 1.01 -1.26 -5.01 121.20 115.05 1a3r s ILE 205 Ca 0.51 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 60.61 1a3r s ILE 205 Cb -0.32 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 1a3r s ILE 205 CO 0.41 0.43 -0.20 -0.89 0.00 0.00 0.00 174.94 174.69 1a3r s THR 206 N 0.89 1.57 -0.27 2.92 2.01 -1.26 -1.47 115.64 120.03 1a3r s THR 206 Ca -0.09 -0.96 -0.11 0.00 0.31 0.00 0.00 61.69 60.84 1a3r s THR 206 Cb -0.15 -1.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 1a3r s THR 206 CO 0.00 0.34 0.19 0.00 -0.69 0.00 0.00 174.62 174.47 1a3r s ASN 209 N 1.59 4.79 -0.03 0.00 -0.87 0.12 -1.19 114.94 119.35 1a3r s ASN 209 Ca 0.07 -0.21 0.05 0.00 -1.57 0.00 0.00 52.86 51.21 1a3r s ASN 209 Cb -0.15 -1.82 -0.01 0.00 -0.02 0.00 0.00 41.25 39.25 1a3r s ASN 209 CO 0.09 0.07 -0.19 -0.69 -2.57 0.00 0.00 177.10 173.81 1a3r s VAL 210 N 0.99 1.50 -0.03 1.60 1.01 -0.55 -1.52 120.40 123.41 1a3r s VAL 210 Ca 0.01 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1a3r s VAL 210 Cb -0.14 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1a3r s VAL 210 CO 0.02 0.43 -0.09 0.00 0.00 0.00 0.00 175.10 175.46 1a3r s ALA 211 N -0.27 0.83 -0.37 5.51 0.00 -0.67 -1.60 121.76 125.18 1a3r s ALA 211 Ca 0.03 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.71 1a3r s ALA 211 Cb -0.09 -0.31 0.11 0.00 0.00 0.00 0.00 23.12 22.82 1a3r s ALA 211 CO 0.00 0.13 0.11 -1.58 0.00 0.00 0.00 175.76 174.43 1a3r s HIS 212 N 0.21 2.98 0.21 0.00 2.46 -0.47 -1.61 115.29 119.08 1a3r s HIS 212 Ca -0.03 -2.66 -0.10 0.00 0.47 0.00 0.00 55.06 52.74 1a3r s HIS 212 Cb -0.08 -2.50 0.29 0.00 -0.13 0.00 0.00 32.58 30.15 1a3r s HIS 212 CO 0.00 -0.88 1.72 -1.35 -2.47 0.00 0.00 174.74 171.76 1a3r h PRO 213 N 7.48 0.29 -0.42 2.88 0.11 -1.83 -1.71 132.00 138.79 1a3r h PRO 213 Ca -0.07 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.12 1a3r h PRO 213 Cb 0.99 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 1a3r h PRO 213 CO 0.53 0.19 0.30 0.00 -0.21 0.00 0.00 178.00 178.81 1a3r h ALA 214 N 1.46 2.23 -0.11 -0.75 0.00 -1.91 -1.74 119.26 118.43 1a3r h ALA 214 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1a3r h ALA 214 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1a3r h ALA 214 CO -0.37 -0.34 0.00 -1.13 0.00 0.00 0.00 179.25 177.41 1a3r n SER 215 N -4.45 2.35 -3.77 0.00 3.41 -1.04 -5.00 113.62 105.13 1a3r n SER 215 Ca 0.07 -1.66 -0.26 0.00 -0.26 0.00 0.00 58.87 56.76 1a3r n SER 215 Cb 0.41 -0.06 0.04 0.00 -0.26 0.00 0.00 64.21 64.34 1a3r n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a3r n SER 216 N 0.76 -3.79 -4.34 4.04 7.64 -0.66 -5.00 113.62 112.27 1a3r n SER 216 Ca 0.09 -0.74 -0.23 0.00 1.01 0.00 0.00 58.87 59.00 1a3r n SER 216 Cb 0.37 -4.21 -0.11 0.00 -1.01 0.00 0.00 64.21 59.24 1a3r n SER 216 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1a3r s THR 217 N -3.42 1.88 0.06 0.44 -4.23 -1.09 -5.02 115.64 104.25 1a3r s THR 217 Ca 0.41 -1.88 -0.05 0.00 -1.18 0.00 0.00 61.69 58.99 1a3r s THR 217 Cb -0.20 -1.84 -0.02 0.00 1.34 0.00 0.00 72.50 71.78 1a3r s THR 217 CO 0.80 -0.25 0.08 -0.54 -0.54 0.00 0.00 174.62 174.17 1a3r s LYS 218 N -2.64 0.69 -0.27 3.99 1.02 -1.26 -1.36 119.74 119.90 1a3r s LYS 218 Ca 0.15 -1.01 -0.25 0.00 0.02 0.00 0.00 55.97 54.88 1a3r s LYS 218 Cb -0.07 0.26 0.09 0.00 -0.52 0.00 0.00 37.83 37.60 1a3r s LYS 218 CO 0.07 -0.17 0.86 0.54 -0.92 0.00 0.00 175.35 175.72 1a3r s VAL 219 N -3.56 0.00 -0.11 3.17 0.11 -0.63 -5.01 120.40 114.37 1a3r s VAL 219 Ca 0.03 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 1a3r s VAL 219 Cb 0.04 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.88 1a3r s VAL 219 CO -0.09 0.00 -0.12 -1.81 -3.33 0.00 0.00 175.10 169.75 1a3r s ASP 220 N 0.25 4.09 -0.16 3.54 1.11 -1.26 -1.49 116.67 122.74 1a3r s ASP 220 Ca 0.01 -0.28 0.00 0.00 0.18 0.00 0.00 52.55 52.46 1a3r s ASP 220 Cb -0.05 -1.46 0.03 0.00 1.07 0.00 0.00 42.92 42.51 1a3r s ASP 220 CO -0.02 0.21 -0.10 -0.54 1.18 0.00 0.00 175.17 175.90 1a3r s LYS 221 N 0.11 1.88 0.05 8.23 -0.14 -0.34 -4.97 119.74 124.55 1a3r s LYS 221 Ca -0.06 -0.59 -0.26 0.00 -1.36 0.00 0.00 55.97 53.70 1a3r s LYS 221 Cb -0.15 -2.10 -0.05 0.00 -1.68 0.00 0.00 37.83 33.85 1a3r s LYS 221 CO 0.04 -0.35 0.82 0.21 -0.76 0.00 0.00 175.35 175.31 1a3r s LYS 222 N 1.53 4.54 -0.51 1.68 2.20 -1.26 -0.68 119.74 127.24 1a3r s LYS 222 Ca 0.02 1.16 -0.24 0.00 -0.36 0.00 0.00 55.97 56.55 1a3r s LYS 222 Cb -0.14 -3.38 0.04 0.00 -1.51 0.00 0.00 37.83 32.83 1a3r s LYS 222 CO -0.09 0.22 0.89 0.42 -0.36 0.00 0.00 175.35 176.43 1a3r s ILE 223 N 0.13 4.48 0.05 5.43 -1.09 -0.54 -4.91 121.20 124.74 1a3r s ILE 223 Ca 0.41 0.35 0.06 0.00 -2.23 0.00 0.00 60.65 59.24 1a3r s ILE 223 Cb -0.21 -4.47 -0.04 0.00 -1.58 0.00 0.00 42.46 36.17 1a3r s ILE 223 CO 0.24 -0.97 -0.11 -1.61 -1.23 0.00 0.00 174.94 171.26 1a3r s GLU 226 N 3.72 2.27 0.50 2.79 2.02 -1.26 -4.66 118.70 124.07 1a3r s GLU 226 Ca 0.31 -0.90 -0.23 0.00 0.02 0.00 0.00 54.97 54.16 1a3r s GLU 226 Cb -0.12 -2.34 -0.07 0.00 0.10 0.00 0.00 34.13 31.70 1a3r s GLU 226 CO 0.21 0.55 1.38 -1.25 0.02 0.00 0.00 175.26 176.17 1a3r s PRO 227 N -1.69 3.43 0.00 0.39 0.04 -1.26 -4.71 135.00 131.20 1a3r s PRO 227 Ca 0.18 2.29 0.18 0.00 0.04 0.00 0.00 61.00 63.68 1a3r s PRO 227 Cb -0.11 -2.45 1.07 0.00 0.04 0.00 0.00 34.50 33.05 1a3r s PRO 227 CO 0.09 -0.98 1.47 0.54 0.04 0.00 0.00 177.00 178.16