#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aar s SER 43 N 0.00 6.26 0.04 0.41 0.01 -0.05 -4.90 113.70 115.47 3aar s SER 43 Ca 0.00 0.84 0.03 0.00 1.31 0.00 0.00 55.95 58.13 3aar s SER 43 Cb 0.00 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 64.00 3aar s SER 43 CO 0.00 -0.54 -0.09 0.00 0.41 0.00 0.00 173.24 173.03 3aar s ILE 45 N -1.20 0.03 -0.05 0.00 2.07 -0.35 -4.49 121.20 117.21 3aar s ILE 45 Ca -0.07 -0.28 0.03 0.00 -1.41 0.00 0.00 60.65 58.91 3aar s ILE 45 Cb -0.09 -0.48 -0.03 0.00 0.13 0.00 0.00 42.46 41.99 3aar s ILE 45 CO 0.01 -0.15 -0.11 0.00 -1.91 0.00 0.00 174.94 172.77 3aar s ALA 46 N -0.62 2.79 -0.08 1.50 0.00 -0.03 -0.96 121.76 124.36 3aar s ALA 46 Ca -0.07 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3aar s ALA 46 Cb -0.04 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 22.04 3aar s ALA 46 CO 0.02 0.56 -0.07 0.08 0.00 0.00 0.00 175.76 176.35 3aar s VAL 47 N -0.77 0.89 -0.24 0.00 1.01 0.04 -1.38 120.40 119.94 3aar s VAL 47 Ca 0.12 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 3aar s VAL 47 Cb -0.11 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3aar s VAL 47 CO 0.01 0.32 0.09 -0.63 0.00 0.00 0.00 175.10 174.90 3aar s ILE 48 N 1.30 4.61 -0.55 2.22 1.01 0.61 -0.62 121.20 129.78 3aar s ILE 48 Ca -0.04 -0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.34 3aar s ILE 48 Cb -0.14 -3.15 0.07 0.00 0.01 0.00 0.00 42.46 39.26 3aar s ILE 48 CO -0.03 0.35 0.72 -0.62 0.00 0.00 0.00 174.94 175.35 3aar s ASP 49 N 1.37 6.21 -1.03 3.58 2.15 0.24 -1.30 116.67 127.90 3aar s ASP 49 Ca 0.06 -1.04 -0.14 0.00 0.43 0.00 0.00 52.55 51.85 3aar s ASP 49 Cb -0.15 -2.32 0.19 0.00 -0.30 0.00 0.00 42.92 40.34 3aar s ASP 49 CO 0.05 -1.05 1.15 0.00 -0.17 0.00 0.00 175.17 175.14 3aar s ALA 50 N 2.92 3.96 0.19 3.66 0.00 -0.07 -1.03 121.76 131.39 3aar s ALA 50 Ca 0.16 -3.26 0.00 0.00 0.00 0.00 0.00 51.96 48.86 3aar s ALA 50 Cb -0.20 -3.88 0.01 0.00 0.00 0.00 0.00 23.12 19.05 3aar s ALA 50 CO 0.10 -2.63 0.04 0.41 0.00 0.00 0.00 175.76 173.68 3aar n GLY 51 N 4.24 1.40 0.09 0.00 0.00 -0.44 -1.80 105.19 108.68 3aar n GLY 51 Ca 0.26 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 3aar n GLY 51 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3aar h SER 52 N -0.01 0.17 0.38 1.61 0.02 -1.94 -3.22 113.55 110.57 3aar h SER 52 Ca -0.01 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3aar h SER 52 Cb 0.05 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3aar h SER 52 CO 0.02 0.52 -0.47 0.35 -1.14 0.00 0.00 176.83 176.11 3aar n THR 53 N -4.77 0.00 0.00 -2.27 -2.24 -1.26 -3.44 114.28 100.30 3aar n THR 53 Ca -0.07 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3aar n THR 53 Cb 0.24 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 3aar n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3aar n GLY 54 N 1.45 0.25 3.42 3.38 0.00 -1.21 -3.25 105.19 109.23 3aar n GLY 54 Ca 0.07 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 3aar n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3aar s SER 55 N 0.00 4.06 -0.17 1.61 0.01 -0.31 -1.32 113.70 117.58 3aar s SER 55 Ca 0.00 -0.27 0.01 0.00 1.31 0.00 0.00 55.95 57.01 3aar s SER 55 Cb 0.00 -1.35 0.02 0.00 0.21 0.00 0.00 66.02 64.90 3aar s SER 55 CO 0.00 0.23 -0.20 -0.60 0.41 0.00 0.00 173.24 173.08 3aar s ARG 56 N -0.05 2.96 -0.05 12.44 3.52 -0.20 -0.98 118.95 136.58 3aar s ARG 56 Ca -0.03 -0.82 -0.20 0.00 -0.13 0.00 0.00 55.73 54.55 3aar s ARG 56 Cb -0.14 -2.51 -0.05 0.00 -1.56 0.00 0.00 34.95 30.70 3aar s ARG 56 CO 0.04 -0.16 0.56 -1.17 -0.81 0.00 0.00 175.30 173.76 3aar s LEU 57 N 1.16 4.35 -0.11 -0.88 2.96 0.77 -0.59 118.68 126.35 3aar s LEU 57 Ca 0.02 1.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.99 3aar s LEU 57 Cb -0.14 -2.85 0.01 0.00 0.50 0.00 0.00 46.19 43.71 3aar s LEU 57 CO -0.10 0.04 -0.20 -1.00 -1.32 0.00 0.00 176.35 173.77 3aar s HIS 58 N 0.22 2.31 -0.18 5.38 3.76 0.21 -1.59 115.29 125.40 3aar s HIS 58 Ca 0.30 -1.02 -0.02 0.00 -0.15 0.00 0.00 55.06 54.17 3aar s HIS 58 Cb -0.17 -1.59 -0.01 0.00 1.11 0.00 0.00 32.58 31.92 3aar s HIS 58 CO 0.15 -0.45 -0.08 0.42 -0.85 0.00 0.00 174.74 173.92 3aar s ILE 59 N 0.61 3.24 -0.04 0.60 1.01 0.09 -0.78 121.20 125.93 3aar s ILE 59 Ca -0.13 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.01 3aar s ILE 59 Cb -0.17 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 3aar s ILE 59 CO 0.04 0.47 -0.19 -0.31 0.00 0.00 0.00 174.94 174.95 3aar s TYR 60 N 0.96 2.55 0.16 3.97 2.02 -0.14 -0.27 117.35 126.61 3aar s TYR 60 Ca -0.01 -0.32 0.05 0.00 -0.37 0.00 0.00 57.07 56.41 3aar s TYR 60 Cb -0.15 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 3aar s TYR 60 CO -0.00 0.06 0.17 -1.54 -1.57 0.00 0.00 175.55 172.67 3aar s SER 61 N -0.60 5.71 0.09 2.29 1.04 0.01 -1.21 113.70 121.03 3aar s SER 61 Ca 0.09 -0.07 -0.26 0.00 0.48 0.00 0.00 55.95 56.20 3aar s SER 61 Cb -0.11 -1.55 0.08 0.00 0.10 0.00 0.00 66.02 64.55 3aar s SER 61 CO 0.00 0.06 0.74 -0.72 0.98 0.00 0.00 173.24 174.31 3aar s TYR 62 N -1.76 -0.44 0.45 5.02 -0.85 -0.38 -0.90 117.35 118.48 3aar s TYR 62 Ca 0.32 0.25 0.07 0.00 -0.52 0.00 0.00 57.07 57.19 3aar s TYR 62 Cb -0.10 0.56 -0.01 0.00 0.38 0.00 0.00 41.96 42.78 3aar s TYR 62 CO 0.25 -0.72 0.34 -0.51 -1.52 0.00 0.00 175.55 173.38 3aar s ASP 63 N -2.64 4.79 -0.07 -0.18 1.01 -0.16 -0.87 116.67 118.55 3aar s ASP 63 Ca 0.03 -0.95 0.03 0.00 0.71 0.00 0.00 52.55 52.38 3aar s ASP 63 Cb -0.01 -0.32 0.01 0.00 1.01 0.00 0.00 42.92 43.61 3aar s ASP 63 CO -0.10 -0.73 -0.16 -0.89 0.21 0.00 0.00 175.17 173.49 3aar s THR 64 N -2.58 1.44 0.29 -1.27 2.01 -1.26 -0.23 115.64 114.03 3aar s THR 64 Ca 0.43 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.76 3aar s THR 64 Cb -0.01 -1.28 0.06 0.00 0.01 0.00 0.00 72.50 71.28 3aar s THR 64 CO 0.25 0.42 0.40 -0.90 -0.69 0.00 0.00 174.62 174.10 3aar n ASP 65 N 3.69 0.41 0.00 3.53 5.68 -0.47 -4.90 116.55 124.49 3aar n ASP 65 Ca -0.21 -1.38 0.07 0.00 -0.50 0.00 0.00 54.79 52.77 3aar n ASP 65 Cb 0.52 -0.27 0.42 0.00 -1.14 0.00 0.00 41.12 40.66 3aar n ASP 65 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3aar n ASP 66 N -3.03 0.00 -1.17 -1.12 5.68 -1.26 -1.67 116.55 113.98 3aar n ASP 66 Ca 0.06 -1.48 0.11 0.00 -0.50 0.00 0.00 54.79 52.98 3aar n ASP 66 Cb 0.22 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.45 3aar n ASP 66 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3aar n THR 67 N -0.73 0.75 -2.86 2.12 -2.24 -1.26 -4.96 114.28 105.09 3aar n THR 67 Ca 0.11 -0.87 -0.17 0.00 -2.27 0.00 0.00 64.05 60.85 3aar n THR 67 Cb 0.05 0.74 0.03 0.00 -2.10 0.00 0.00 70.33 69.05 3aar n THR 67 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3aar n ASN 68 N 1.44 -4.99 -4.28 3.42 5.15 -0.67 -4.56 115.26 110.78 3aar n ASN 68 Ca 0.20 -0.23 -0.32 0.00 -0.60 0.00 0.00 54.58 53.64 3aar n ASN 68 Cb 0.59 -3.82 -0.16 0.00 -0.53 0.00 0.00 39.78 35.86 3aar n ASN 68 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3aar s THR 69 N -3.03 2.19 0.35 -0.44 2.01 -1.26 -4.90 115.64 110.56 3aar s THR 69 Ca 0.24 -1.01 -0.28 0.00 0.31 0.00 0.00 61.69 60.96 3aar s THR 69 Cb -0.11 -1.81 -0.12 0.00 0.01 0.00 0.00 72.50 70.47 3aar s THR 69 CO 0.30 0.57 1.40 -2.65 -0.69 0.00 0.00 174.62 173.55 3aar n PRO 70 N 3.08 2.41 -4.32 4.92 -0.02 -1.26 -1.37 135.00 138.45 3aar n PRO 70 Ca -0.18 0.85 -0.17 0.00 -2.02 0.00 0.00 63.50 61.98 3aar n PRO 70 Cb 0.52 -2.51 -0.10 0.00 -0.02 0.00 0.00 33.50 31.39 3aar n PRO 70 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3aar s ILE 71 N -1.04 0.66 -1.44 4.25 -4.36 0.67 -4.86 121.20 115.08 3aar s ILE 71 Ca 0.55 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.84 3aar s ILE 71 Cb -0.52 -2.56 0.05 0.00 1.25 0.00 0.00 42.46 40.67 3aar s ILE 71 CO 0.62 -0.08 0.97 1.41 0.24 0.00 0.00 174.94 178.09 3aar n HIS 72 N -0.45 -2.33 -2.38 1.37 8.25 -1.26 -0.99 115.22 117.42 3aar n HIS 72 Ca -0.01 0.92 -0.43 0.00 -0.26 0.00 0.00 57.72 57.94 3aar n HIS 72 Cb 0.66 -4.31 -0.02 0.00 1.12 0.00 0.00 29.99 27.44 3aar n HIS 72 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3aar s ILE 73 N -3.38 4.16 -0.06 1.59 1.01 -1.26 -4.31 121.20 118.95 3aar s ILE 73 Ca 0.49 1.45 0.03 0.00 0.00 0.00 0.00 60.65 62.61 3aar s ILE 73 Cb -0.24 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.31 3aar s ILE 73 CO 0.80 -0.07 -0.13 -1.61 0.00 0.00 0.00 174.94 173.93 3aar s GLU 74 N 2.99 1.76 -0.30 2.79 0.41 -0.08 -4.99 118.70 121.29 3aar s GLU 74 Ca 0.57 -0.45 -0.29 0.00 -0.41 0.00 0.00 54.97 54.39 3aar s GLU 74 Cb -0.25 -1.45 0.01 0.00 -1.78 0.00 0.00 34.13 30.67 3aar s GLU 74 CO 0.19 0.06 1.07 -2.00 -0.49 0.00 0.00 175.26 174.09 3aar s GLU 75 N 0.58 4.11 0.00 1.61 2.12 -1.26 -0.81 118.70 125.04 3aar s GLU 75 Ca -0.14 1.15 0.19 0.00 0.36 0.00 0.00 54.97 56.53 3aar s GLU 75 Cb -0.15 -3.72 -0.12 0.00 0.26 0.00 0.00 34.13 30.40 3aar s GLU 75 CO 0.04 -0.84 0.87 0.44 -0.54 0.00 0.00 175.26 175.23 3aar n ILE 76 N 5.75 0.00 -3.62 -3.70 -5.35 0.63 -4.98 119.36 108.10 3aar n ILE 76 Ca 0.12 -0.17 -0.09 0.00 -0.27 0.00 0.00 62.75 62.35 3aar n ILE 76 Cb 0.47 1.10 -0.06 0.00 -1.74 0.00 0.00 39.64 39.41 3aar n ILE 76 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 3aar s TRP 77 N -2.51 -0.38 0.11 4.28 -0.00 -1.18 -5.00 118.94 114.28 3aar s TRP 77 Ca 0.11 0.82 -0.05 0.00 -0.00 0.00 0.00 56.10 56.98 3aar s TRP 77 Cb 0.15 0.41 -0.02 0.00 -0.00 0.00 0.00 33.47 34.01 3aar s TRP 77 CO 0.64 -0.25 0.14 0.54 -0.00 0.00 0.00 176.95 178.02 3aar s ASN 78 N -0.35 0.22 -0.23 5.86 4.22 -1.26 -0.73 114.94 122.67 3aar s ASN 78 Ca 0.02 -0.91 -0.13 0.00 -2.14 0.00 0.00 52.86 49.69 3aar s ASN 78 Cb -0.03 0.33 0.07 0.00 1.28 0.00 0.00 41.25 42.90 3aar s ASN 78 CO -0.04 -0.75 0.56 -0.75 -2.04 0.00 0.00 177.10 174.09 3aar s LYS 79 N -3.95 0.57 -0.11 3.55 2.47 -0.62 -4.96 119.74 116.70 3aar s LYS 79 Ca 0.13 1.02 0.01 0.00 -1.56 0.00 0.00 55.97 55.57 3aar s LYS 79 Cb 0.06 0.08 -0.02 0.00 -1.46 0.00 0.00 37.83 36.49 3aar s LYS 79 CO -0.05 -0.15 -0.14 0.21 0.16 0.00 0.00 175.35 175.38 3aar s LYS 80 N 1.46 3.13 0.13 4.03 2.47 -1.26 -0.17 119.74 129.54 3aar s LYS 80 Ca -0.09 -0.70 0.08 0.00 -1.56 0.00 0.00 55.97 53.70 3aar s LYS 80 Cb -0.06 -2.54 -0.04 0.00 -1.46 0.00 0.00 37.83 33.72 3aar s LYS 80 CO -0.16 0.32 -0.18 0.96 0.16 0.00 0.00 175.35 176.45 3aar s ILE 81 N 0.05 1.69 0.28 5.43 -4.36 -0.16 -4.99 121.20 119.14 3aar s ILE 81 Ca -0.05 -1.74 0.11 0.00 -0.26 0.00 0.00 60.65 58.70 3aar s ILE 81 Cb -0.15 -1.67 -0.05 0.00 1.25 0.00 0.00 42.46 41.84 3aar s ILE 81 CO 0.04 -0.24 -0.12 -0.54 0.24 0.00 0.00 174.94 174.32 3aar s LYS 82 N -2.45 1.90 0.00 0.37 1.02 -1.26 -1.17 119.74 118.16 3aar s LYS 82 Ca 0.11 -1.66 0.00 0.00 0.02 0.00 0.00 55.97 54.44 3aar s LYS 82 Cb -0.07 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 3aar s LYS 82 CO 0.05 0.33 0.00 -0.35 -0.92 0.00 0.00 175.35 174.46 3aar n PRO 83 N -0.73 1.70 -2.09 -1.68 -0.04 -1.26 -5.01 135.00 125.90 3aar n PRO 83 Ca -0.05 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.03 3aar n PRO 83 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 3aar n PRO 83 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3aar s GLY 84 N -1.19 2.85 0.26 0.55 0.00 -1.20 -4.19 107.32 104.39 3aar s GLY 84 Ca 0.00 1.11 -0.02 0.00 0.00 0.00 0.00 44.72 45.81 3aar s GLY 84 CO 0.00 1.62 1.80 -2.75 0.00 0.00 0.00 173.10 173.77 3aar h PHE 85 N 2.08 0.88 0.00 1.90 3.57 -1.85 -1.27 116.94 122.24 3aar h PHE 85 Ca -0.50 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.03 3aar h PHE 85 Cb 1.26 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.74 3aar h PHE 85 CO 0.51 0.31 0.00 0.00 -2.23 0.00 0.00 178.31 176.91 3aar n ALA 86 N -2.38 1.83 0.82 2.41 0.00 -1.26 -2.37 120.51 119.56 3aar n ALA 86 Ca 0.16 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.62 3aar n ALA 86 Cb 0.34 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 3aar n ALA 86 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3aar n SER 87 N -1.29 1.74 -4.93 0.00 3.41 -0.48 -5.00 113.62 107.07 3aar n SER 87 Ca 0.07 -1.37 -0.25 0.00 -0.26 0.00 0.00 58.87 57.06 3aar n SER 87 Cb 0.12 0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 64.54 3aar n SER 87 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3aar s ILE 88 N -2.13 5.12 0.05 -1.33 -4.36 -1.00 -5.01 121.20 112.53 3aar s ILE 88 Ca 0.15 -0.39 -0.30 0.00 -0.26 0.00 0.00 60.65 59.85 3aar s ILE 88 Cb 0.15 -3.82 -0.08 0.00 1.25 0.00 0.00 42.46 39.96 3aar s ILE 88 CO 0.48 -0.44 1.71 -1.58 0.24 0.00 0.00 174.94 175.35 3aar s GLN 89 N -3.98 4.18 -1.54 0.37 0.74 -1.26 -4.89 119.66 113.28 3aar s GLN 89 Ca 0.40 2.36 -0.10 0.00 0.05 0.00 0.00 55.36 58.08 3aar s GLN 89 Cb -0.10 -3.73 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 3aar s GLN 89 CO 0.33 -0.79 2.70 -0.35 -0.55 0.00 0.00 175.29 176.64 3aar n PRO 90 N 6.11 3.70 -4.57 1.67 -0.04 -1.26 -4.37 135.00 136.24 3aar n PRO 90 Ca 0.17 -2.53 -0.26 0.00 -0.04 0.00 0.00 63.50 60.84 3aar n PRO 90 Cb 0.41 -2.86 -0.10 0.00 -0.04 0.00 0.00 33.50 30.90 3aar n PRO 90 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3aar s ASN 91 N 2.00 3.34 0.16 3.54 2.20 -1.26 -4.74 114.94 120.17 3aar s ASN 91 Ca 0.62 -1.42 -0.16 0.00 -0.94 0.00 0.00 52.86 50.96 3aar s ASN 91 Cb 0.17 -0.14 0.04 0.00 -2.00 0.00 0.00 41.25 39.32 3aar s ASN 91 CO -0.07 -0.58 1.80 0.28 -2.94 0.00 0.00 177.10 175.60 3aar h SER 92 N 1.84 0.40 -0.07 3.54 0.02 -1.97 -1.76 113.55 115.55 3aar h SER 92 Ca -0.42 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3aar h SER 92 Cb 1.25 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 3aar h SER 92 CO 0.75 0.29 0.04 0.58 -1.14 0.00 0.00 176.83 177.35 3aar h VAL 93 N 0.49 1.04 -0.35 2.27 2.07 -1.97 -0.03 116.25 119.78 3aar h VAL 93 Ca 0.16 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 3aar h VAL 93 Cb -0.00 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3aar h VAL 93 CO -0.07 0.04 -0.01 0.74 0.02 0.00 0.00 177.57 178.29 3aar h THR 94 N 0.06 1.26 -0.63 2.57 2.02 -1.80 -1.47 112.91 114.92 3aar h THR 94 Ca 0.02 -1.01 -0.06 0.00 0.77 0.00 0.00 66.41 66.14 3aar h THR 94 Cb 0.03 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 3aar h THR 94 CO -0.00 0.33 0.16 0.40 0.37 0.00 0.00 175.52 176.78 3aar h ILE 95 N 0.44 1.25 -0.29 3.11 1.08 -1.26 -1.39 117.51 120.46 3aar h ILE 95 Ca 0.10 -0.91 -0.01 0.00 -0.39 0.00 0.00 64.86 63.65 3aar h ILE 95 Cb 0.48 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 3aar h ILE 95 CO 0.02 0.34 0.14 -0.78 -0.69 0.00 0.00 178.15 177.19 3aar h ASP 96 N 0.92 0.37 -0.72 1.72 3.58 -0.84 -0.10 116.42 121.36 3aar h ASP 96 Ca 0.20 -0.12 0.03 0.00 0.42 0.00 0.00 57.03 57.56 3aar h ASP 96 Cb 0.34 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.25 3aar h ASP 96 CO -0.00 0.38 0.46 0.00 -2.88 0.00 0.00 179.24 177.20 3aar h ALA 97 N 1.00 0.94 0.13 -0.78 0.00 -1.09 -0.59 119.26 118.87 3aar h ALA 97 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3aar h ALA 97 Cb 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3aar h ALA 97 CO -0.01 0.25 -0.06 -0.92 0.00 0.00 0.00 179.25 178.51 3aar h TYR 98 N 0.90 -0.16 -0.54 0.00 3.20 -1.00 -1.42 116.97 117.95 3aar h TYR 98 Ca 0.28 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.07 3aar h TYR 98 Cb -0.00 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3aar h TYR 98 CO -0.04 0.18 0.01 -0.07 -1.64 0.00 0.00 178.16 176.60 3aar h LEU 99 N -0.51 0.88 -0.38 2.82 3.38 -0.96 -1.60 115.31 118.93 3aar h LEU 99 Ca -0.02 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3aar h LEU 99 Cb 0.41 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3aar h LEU 99 CO 0.03 0.93 0.25 0.74 0.09 0.00 0.00 178.44 180.48 3aar h THR 100 N 0.84 1.10 -0.81 0.22 2.02 -1.08 -0.99 112.91 114.22 3aar h THR 100 Ca 0.16 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 3aar h THR 100 Cb 0.49 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 3aar h THR 100 CO 0.02 0.10 0.49 -0.03 0.37 0.00 0.00 175.52 176.47 3aar h MET 101 N 0.52 1.09 -0.40 6.66 1.85 -0.90 -0.46 114.93 123.29 3aar h MET 101 Ca 0.14 -0.10 -0.12 0.00 -0.61 0.00 0.00 59.70 59.01 3aar h MET 101 Cb -0.05 -0.23 -0.01 0.00 0.43 0.00 0.00 31.60 31.74 3aar h MET 101 CO -0.03 0.77 -0.20 1.25 -0.40 0.00 0.00 176.91 178.30 3aar h LEU 102 N 1.10 0.87 0.00 3.39 5.85 -1.04 -3.37 115.31 122.12 3aar h LEU 102 Ca 0.29 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 3aar h LEU 102 Cb -0.04 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 3aar h LEU 102 CO -0.05 1.09 -1.98 0.18 -0.34 0.00 0.00 178.44 177.33 3aar n LEU 103 N -4.22 0.00 -0.36 2.25 4.77 -0.40 -4.74 117.00 114.30 3aar n LEU 103 Ca -0.01 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.02 3aar n LEU 103 Cb 0.43 0.07 0.22 0.00 -2.33 0.00 0.00 43.42 41.81 3aar n LEU 103 CO 0.45 0.07 1.25 0.00 -1.33 0.00 0.00 177.39 177.83 3aar h ALA 104 N 1.72 1.49 -0.03 -1.18 0.00 -1.25 -2.60 119.26 117.41 3aar h ALA 104 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3aar h ALA 104 Cb 1.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3aar h ALA 104 CO 0.00 0.30 0.00 -0.25 0.00 0.00 0.00 179.25 179.31 3aar n ASP 105 N -4.57 1.84 -4.74 0.00 8.00 -1.26 -4.95 116.55 110.87 3aar n ASP 105 Ca 0.17 -1.62 -0.42 0.00 0.71 0.00 0.00 54.79 53.64 3aar n ASP 105 Cb 0.29 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.38 3aar n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3aar n ALA 106 N 0.44 2.00 -0.49 2.24 0.00 -0.98 -4.86 120.51 118.85 3aar n ALA 106 Ca 0.18 0.36 -0.07 0.00 0.00 0.00 0.00 53.44 53.91 3aar n ALA 106 Cb 0.41 -2.37 0.02 0.00 0.00 0.00 0.00 19.45 17.51 3aar n ALA 106 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3aar n PRO 107 N 0.97 1.35 -4.46 0.00 -0.04 -1.26 -4.90 135.00 126.66 3aar n PRO 107 Ca 0.05 -0.70 -0.22 0.00 -0.04 0.00 0.00 63.50 62.58 3aar n PRO 107 Cb 0.37 -1.28 -0.10 0.00 -0.04 0.00 0.00 33.50 32.45 3aar n PRO 107 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3aar s ILE 108 N -0.99 1.02 -0.18 0.52 -5.25 -1.26 -5.15 121.20 109.90 3aar s ILE 108 Ca 0.14 -2.00 -0.07 0.00 -0.99 0.00 0.00 60.65 57.73 3aar s ILE 108 Cb 0.11 -2.67 0.08 0.00 2.95 0.00 0.00 42.46 42.93 3aar s ILE 108 CO 0.00 0.00 0.40 -2.28 -1.79 0.00 0.00 174.94 171.27 3aar s HIS 109 N -3.30 -0.69 -0.46 1.37 2.46 -1.26 -5.01 115.29 108.40 3aar s HIS 109 Ca 0.33 1.39 -0.01 0.00 0.47 0.00 0.00 55.06 57.24 3aar s HIS 109 Cb 0.07 0.25 -0.01 0.00 -0.13 0.00 0.00 32.58 32.76 3aar s HIS 109 CO 0.15 -0.43 0.43 0.09 -2.47 0.00 0.00 174.74 172.51 3aar n ASN 110 N 5.06 -5.25 -4.24 9.88 3.02 0.01 -5.07 115.26 118.68 3aar n ASN 110 Ca -0.13 -0.11 -0.27 0.00 -0.03 0.00 0.00 54.58 54.05 3aar n ASN 110 Cb 0.51 -3.45 -0.15 0.00 -0.61 0.00 0.00 39.78 36.08 3aar n ASN 110 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3aar s ILE 111 N -3.04 1.68 0.36 2.41 2.07 -1.06 -4.94 121.20 118.68 3aar s ILE 111 Ca 0.05 -1.03 -0.27 0.00 -1.41 0.00 0.00 60.65 57.99 3aar s ILE 111 Cb -0.01 -1.42 -0.09 0.00 0.13 0.00 0.00 42.46 41.07 3aar s ILE 111 CO 0.43 0.36 1.28 -2.84 -1.91 0.00 0.00 174.94 172.26 3aar s PRO 112 N -0.78 4.19 -0.01 3.50 0.02 -1.26 -0.79 135.00 139.88 3aar s PRO 112 Ca 0.08 2.12 0.02 0.00 0.02 0.00 0.00 61.00 63.25 3aar s PRO 112 Cb -0.08 -2.91 -0.00 0.00 0.02 0.00 0.00 34.50 31.52 3aar s PRO 112 CO 0.00 -0.29 -0.08 0.54 -0.33 0.00 0.00 177.00 176.84 3aar s VAL 113 N -1.22 0.63 -0.16 3.83 0.11 -0.18 -0.85 120.40 122.57 3aar s VAL 113 Ca 0.53 -0.34 -0.02 0.00 -2.93 0.00 0.00 61.98 59.22 3aar s VAL 113 Cb -0.37 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 33.92 3aar s VAL 113 CO 0.49 0.18 -0.08 -0.31 -3.33 0.00 0.00 175.10 172.05 3aar s TYR 114 N -0.14 2.91 -0.36 1.54 2.02 -0.48 -0.59 117.35 122.25 3aar s TYR 114 Ca 0.02 -0.60 -0.07 0.00 -0.37 0.00 0.00 57.07 56.05 3aar s TYR 114 Cb -0.04 -1.94 0.05 0.00 -0.40 0.00 0.00 41.96 39.64 3aar s TYR 114 CO -0.00 -0.23 0.16 0.12 -1.57 0.00 0.00 175.55 174.03 3aar s PHE 115 N 0.60 3.29 -0.25 2.71 5.36 -0.33 -0.28 117.98 129.07 3aar s PHE 115 Ca -0.05 -1.44 0.02 0.00 -0.96 0.00 0.00 56.93 54.50 3aar s PHE 115 Cb -0.15 -2.49 0.06 0.00 -0.34 0.00 0.00 43.02 40.09 3aar s PHE 115 CO 0.03 -0.76 -0.10 0.71 -1.46 0.00 0.00 175.22 173.64 3aar s TYR 116 N 1.41 2.95 0.25 10.12 2.02 -0.42 -1.40 117.35 132.29 3aar s TYR 116 Ca 0.00 -2.10 -0.08 0.00 -0.37 0.00 0.00 57.07 54.53 3aar s TYR 116 Cb -0.20 -1.81 -0.06 0.00 -0.40 0.00 0.00 41.96 39.48 3aar s TYR 116 CO 0.03 -0.84 0.55 0.00 -1.57 0.00 0.00 175.55 173.72 3aar s ALA 117 N 1.21 3.58 0.00 3.71 0.00 -0.31 -0.89 121.76 129.06 3aar s ALA 117 Ca -0.07 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.52 3aar s ALA 117 Cb -0.19 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.53 3aar s ALA 117 CO -0.06 0.41 0.00 0.25 0.00 0.00 0.00 175.76 176.36 3aar n THR 118 N -0.44 0.00 -0.20 0.00 -2.24 -0.75 -1.13 114.28 109.53 3aar n THR 118 Ca -0.00 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 61.98 3aar n THR 118 Cb 0.53 0.00 0.56 0.00 -2.10 0.00 0.00 70.33 69.32 3aar n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3aar h ALA 119 N 0.82 2.32 -0.57 6.98 0.00 -1.88 -1.23 119.26 125.70 3aar h ALA 119 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3aar h ALA 119 Cb 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3aar h ALA 119 CO 0.00 -0.58 0.23 0.78 0.00 0.00 0.00 179.25 179.68 3aar h GLY 120 N 0.30 0.80 1.68 0.00 0.00 -1.89 -1.10 103.07 102.86 3aar h GLY 120 Ca 0.43 -0.13 -0.16 0.00 0.00 0.00 0.00 47.33 47.46 3aar h GLY 120 CO -0.12 0.01 -0.65 1.98 0.00 0.00 0.00 176.54 177.76 3aar h MET 121 N 0.42 0.33 -0.13 4.80 -1.53 -1.55 -3.09 114.93 114.19 3aar h MET 121 Ca 0.28 -0.24 0.04 0.00 -3.44 0.00 0.00 59.70 56.34 3aar h MET 121 Cb 0.31 0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.39 3aar h MET 121 CO -0.27 0.86 0.10 0.00 0.14 0.00 0.00 176.91 177.75 3aar h ARG 122 N 0.23 0.00 0.00 0.39 3.08 -1.00 -1.72 114.38 115.37 3aar h ARG 122 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3aar h ARG 122 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3aar h ARG 122 CO 0.11 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.29 3aar n LEU 123 N -4.37 0.00 -4.89 3.04 4.77 -0.62 -4.79 117.00 110.13 3aar n LEU 123 Ca 0.00 0.30 -0.34 0.00 -0.03 0.00 0.00 56.01 55.94 3aar n LEU 123 Cb 0.22 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 3aar n LEU 123 CO 0.33 -0.01 -0.08 -0.76 -1.33 0.00 0.00 177.39 175.54 3aar s LEU 124 N -2.59 4.36 0.47 2.23 1.43 -0.65 -5.08 118.68 118.85 3aar s LEU 124 Ca 0.27 0.49 -0.24 0.00 -1.03 0.00 0.00 54.13 53.62 3aar s LEU 124 Cb 0.20 -2.75 -0.08 0.00 0.03 0.00 0.00 46.19 43.59 3aar s LEU 124 CO 0.45 0.23 1.24 -2.65 0.23 0.00 0.00 176.35 175.85 3aar n PRO 125 N 0.91 1.73 0.26 1.29 -0.02 -1.26 -4.76 135.00 133.15 3aar n PRO 125 Ca -0.10 0.62 0.15 0.00 -2.02 0.00 0.00 63.50 62.16 3aar n PRO 125 Cb 0.52 -2.38 0.86 0.00 -0.02 0.00 0.00 33.50 32.49 3aar n PRO 125 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3aar h GLN 126 N 1.74 0.00 -0.17 -0.52 5.75 -1.95 0.51 115.11 120.48 3aar h GLN 126 Ca -0.48 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 57.87 3aar h GLN 126 Cb 1.31 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.85 3aar h GLN 126 CO 0.58 0.00 -0.52 0.66 -2.65 0.00 0.00 178.83 176.90 3aar h SER 127 N 0.00 0.53 0.05 -0.69 4.64 -2.00 -2.10 113.55 113.99 3aar h SER 127 Ca 0.03 -0.27 -0.28 0.00 -0.47 0.00 0.00 61.79 60.79 3aar h SER 127 Cb 0.17 -0.15 0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3aar h SER 127 CO -0.00 0.96 -1.13 -0.61 -0.87 0.00 0.00 176.83 175.18 3aar h GLN 128 N 0.38 0.68 -0.93 4.77 5.75 -1.38 -3.23 115.11 121.14 3aar h GLN 128 Ca 0.01 -0.79 0.02 0.00 -0.15 0.00 0.00 58.65 57.74 3aar h GLN 128 Cb 1.04 0.24 -0.05 0.00 1.07 0.00 0.00 27.48 29.78 3aar h GLN 128 CO 0.09 1.35 0.61 1.96 -2.65 0.00 0.00 178.83 180.20 3aar h GLN 129 N 0.35 1.20 -0.79 1.69 4.20 -0.95 -2.69 115.11 118.12 3aar h GLN 129 Ca -0.15 -0.07 0.08 0.00 0.06 0.00 0.00 58.65 58.56 3aar h GLN 129 Cb 1.79 -0.27 -0.05 0.00 0.30 0.00 0.00 27.48 29.24 3aar h GLN 129 CO 0.22 0.80 0.51 -0.22 -0.67 0.00 0.00 178.83 179.47 3aar h LYS 130 N 1.24 0.77 -0.43 1.46 3.64 -1.39 -1.28 116.57 120.57 3aar h LYS 130 Ca 0.35 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.72 3aar h LYS 130 Cb -0.11 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.50 3aar h LYS 130 CO -0.08 0.51 0.20 0.87 -2.27 0.00 0.00 179.45 178.67 3aar h LYS 131 N 0.79 0.38 -0.04 1.90 1.57 -1.54 0.14 116.57 119.76 3aar h LYS 131 Ca 0.35 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3aar h LYS 131 Cb 0.33 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 3aar h LYS 131 CO -0.13 0.25 0.02 1.88 -0.57 0.00 0.00 179.45 180.91 3aar h TYR 132 N 0.40 0.06 -0.05 -1.35 0.05 -1.30 -2.63 116.97 112.14 3aar h TYR 132 Ca 0.19 -0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.86 3aar h TYR 132 Cb 0.13 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 3aar h TYR 132 CO -0.12 0.11 -0.49 1.88 -1.05 0.00 0.00 178.16 178.49 3aar h TYR 133 N -0.01 0.16 -0.48 4.88 0.05 -1.04 -0.04 116.97 120.48 3aar h TYR 133 Ca 0.02 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 3aar h TYR 133 Cb 0.07 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 3aar h TYR 133 CO -0.05 0.60 0.24 -0.44 -1.05 0.00 0.00 178.16 177.46 3aar h ASP 134 N 0.10 0.62 -0.28 3.88 3.32 -0.69 0.11 116.42 123.48 3aar h ASP 134 Ca 0.00 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 3aar h ASP 134 Cb 0.91 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 3aar h ASP 134 CO 0.07 0.55 0.01 -0.33 -1.72 0.00 0.00 179.24 177.82 3aar h GLU 135 N 0.63 0.50 -0.55 3.56 4.39 -1.16 -2.44 114.58 119.51 3aar h GLU 135 Ca 0.17 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 3aar h GLU 135 Cb 0.09 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 3aar h GLU 135 CO -0.02 0.64 0.30 1.25 -1.16 0.00 0.00 179.01 180.02 3aar h LEU 136 N 0.29 0.68 -0.33 1.33 6.46 -0.80 -0.53 115.31 122.41 3aar h LEU 136 Ca 0.08 -0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.80 3aar h LEU 136 Cb 0.41 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.13 3aar h LEU 136 CO 0.01 0.58 0.07 -0.08 -0.62 0.00 0.00 178.44 178.40 3aar h GLU 137 N 0.74 0.19 -0.52 1.25 4.22 -0.76 -1.38 114.58 118.31 3aar h GLU 137 Ca 0.19 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.61 3aar h GLU 137 Cb 0.04 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3aar h GLU 137 CO -0.03 0.12 0.26 -0.92 -2.18 0.00 0.00 179.01 176.26 3aar h TYR 138 N 0.19 0.73 -0.25 0.92 3.20 -1.05 -2.53 116.97 118.19 3aar h TYR 138 Ca 0.15 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3aar h TYR 138 Cb 0.17 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3aar h TYR 138 CO -0.18 0.56 0.16 2.35 -1.64 0.00 0.00 178.16 179.42 3aar h TRP 139 N 0.69 0.30 0.00 -3.82 7.01 -0.50 -2.16 115.95 117.48 3aar h TRP 139 Ca 0.18 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.13 3aar h TRP 139 Cb 0.09 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 3aar h TRP 139 CO -0.01 0.19 -0.28 0.74 -2.79 0.00 0.00 178.44 176.29 3aar h PHE 140 N 0.33 0.00 0.00 2.65 -1.00 -1.13 -2.21 116.94 115.58 3aar h PHE 140 Ca 0.09 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.86 3aar h PHE 140 Cb -0.03 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.52 3aar h PHE 140 CO -0.06 0.28 -0.06 0.00 -1.61 0.00 0.00 178.31 176.86 3aar h ARG 141 N 0.00 0.00 -0.01 1.51 3.08 -0.96 -3.02 114.38 114.99 3aar h ARG 141 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3aar h ARG 141 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3aar h ARG 141 CO 0.04 0.06 -0.01 1.04 -1.07 0.00 0.00 179.97 180.02 3aar n GLN 142 N -3.20 1.37 -4.28 0.04 1.13 -0.83 -4.90 117.38 106.72 3aar n GLN 142 Ca -0.00 -0.59 -0.15 0.00 -1.94 0.00 0.00 57.00 54.31 3aar n GLN 142 Cb 0.31 -1.49 -0.10 0.00 0.11 0.00 0.00 30.24 29.07 3aar n GLN 142 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 3aar s GLN 143 N -2.04 1.38 0.00 -1.09 1.03 -1.14 -5.08 119.66 112.71 3aar s GLN 143 Ca 0.40 -1.75 0.00 0.00 0.04 0.00 0.00 55.36 54.06 3aar s GLN 143 Cb 0.21 -0.05 0.00 0.00 0.03 0.00 0.00 33.01 33.20 3aar s GLN 143 CO 0.36 -0.36 0.00 -1.13 -2.54 0.00 0.00 175.29 171.62 3aar n SER 144 N -0.49 1.56 -0.19 12.60 3.41 -1.26 -4.81 113.62 124.43 3aar n SER 144 Ca 0.01 -0.21 -0.09 0.00 -0.26 0.00 0.00 58.87 58.32 3aar n SER 144 Cb 0.66 0.73 0.01 0.00 -0.26 0.00 0.00 64.21 65.36 3aar n SER 144 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3aar h GLN 145 N 0.00 0.93 -5.19 4.33 4.15 -1.97 -3.42 115.11 113.94 3aar h GLN 145 Ca 0.00 -0.27 -0.61 0.00 0.77 0.00 0.00 58.65 58.54 3aar h GLN 145 Cb 0.00 -0.10 -0.14 0.00 0.21 0.00 0.00 27.48 27.45 3aar h GLN 145 CO 0.00 0.91 -0.51 -1.58 -1.93 0.00 0.00 178.83 175.72 3aar s TRP 146 N -5.13 3.33 -0.78 3.99 0.52 -1.26 -0.81 118.94 118.80 3aar s TRP 146 Ca -0.12 0.21 -0.15 0.00 0.02 0.00 0.00 56.10 56.06 3aar s TRP 146 Cb 0.12 -2.19 0.19 0.00 -1.15 0.00 0.00 33.47 30.45 3aar s TRP 146 CO 0.82 0.16 0.76 -1.14 0.02 0.00 0.00 176.95 177.57 3aar s GLN 147 N 0.67 3.49 -0.06 4.98 0.74 0.03 -4.94 119.66 124.57 3aar s GLN 147 Ca 0.07 -2.24 -0.30 0.00 0.05 0.00 0.00 55.36 52.94 3aar s GLN 147 Cb -0.12 -4.45 -0.06 0.00 1.10 0.00 0.00 33.01 29.48 3aar s GLN 147 CO 0.01 -1.35 1.71 -1.17 -0.55 0.00 0.00 175.29 173.94 3aar s LEU 148 N 0.70 4.28 -0.17 3.68 2.96 -1.26 -1.01 118.68 127.86 3aar s LEU 148 Ca 0.17 2.23 -0.20 0.00 -0.22 0.00 0.00 54.13 56.10 3aar s LEU 148 Cb -0.13 -3.53 -0.17 0.00 0.50 0.00 0.00 46.19 42.85 3aar s LEU 148 CO -0.07 -1.00 0.32 0.58 -1.32 0.00 0.00 176.35 174.86 3aar h VAL 149 N 5.67 0.98 -2.93 1.68 2.07 -1.23 -3.47 116.25 119.03 3aar h VAL 149 Ca -0.40 -1.96 -0.14 0.00 0.82 0.00 0.00 66.70 65.02 3aar h VAL 149 Cb 1.18 2.07 -0.24 0.00 -1.52 0.00 0.00 31.29 32.78 3aar h VAL 149 CO 0.96 0.33 -0.31 -1.61 0.02 0.00 0.00 177.57 176.95 3aar s GLU 150 N -2.22 0.42 -0.12 1.57 2.02 -1.25 -5.07 118.70 114.06 3aar s GLU 150 Ca -0.21 0.40 0.00 0.00 0.02 0.00 0.00 54.97 55.19 3aar s GLU 150 Cb 0.02 0.20 0.02 0.00 0.10 0.00 0.00 34.13 34.48 3aar s GLU 150 CO 0.51 -0.06 -0.11 0.00 0.02 0.00 0.00 175.26 175.62 3aar s ALA 151 N 0.02 1.53 0.14 5.21 0.00 -1.26 -1.19 121.76 126.21 3aar s ALA 151 Ca -0.01 -0.67 -0.25 0.00 0.00 0.00 0.00 51.96 51.03 3aar s ALA 151 Cb -0.03 -0.92 0.07 0.00 0.00 0.00 0.00 23.12 22.24 3aar s ALA 151 CO 0.01 -0.32 0.86 -1.59 0.00 0.00 0.00 175.76 174.72 3aar s LYS 152 N 1.46 1.21 -0.34 0.00 -2.85 -0.49 -5.00 119.74 113.74 3aar s LYS 152 Ca 0.02 -0.60 -0.22 0.00 -1.00 0.00 0.00 55.97 54.16 3aar s LYS 152 Cb -0.13 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 3aar s LYS 152 CO -0.07 -0.55 0.74 0.99 0.10 0.00 0.00 175.35 176.56 3aar s THR 153 N -3.41 4.81 0.40 3.79 2.01 -1.26 -1.16 115.64 120.82 3aar s THR 153 Ca 0.09 0.93 -0.22 0.00 0.31 0.00 0.00 61.69 62.79 3aar s THR 153 Cb -0.02 -4.14 -0.11 0.00 0.01 0.00 0.00 72.50 68.25 3aar s THR 153 CO -0.02 -0.31 0.94 0.27 -0.69 0.00 0.00 174.62 174.81 3aar s ILE 154 N 2.92 4.34 0.83 1.82 -4.36 -0.29 -4.91 121.20 121.56 3aar s ILE 154 Ca 0.30 1.58 -0.11 0.00 -0.26 0.00 0.00 60.65 62.15 3aar s ILE 154 Cb -0.14 -3.72 0.09 0.00 1.25 0.00 0.00 42.46 39.94 3aar s ILE 154 CO 0.14 -0.18 1.09 0.42 0.24 0.00 0.00 174.94 176.65 3aar s THR 155 N -2.01 3.04 0.41 8.37 -4.23 -1.26 -4.73 115.64 115.24 3aar s THR 155 Ca 0.58 0.34 0.10 0.00 -1.18 0.00 0.00 61.69 61.53 3aar s THR 155 Cb -0.12 -2.88 0.29 0.00 1.34 0.00 0.00 72.50 71.13 3aar s THR 155 CO 0.16 -0.44 2.02 1.23 -0.54 0.00 0.00 174.62 177.05 3aar h GLY 156 N -1.28 0.62 0.94 3.99 0.00 -1.96 -1.38 103.07 104.00 3aar h GLY 156 Ca -0.47 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 46.64 3aar h GLY 156 CO 0.54 0.17 0.17 3.43 0.00 0.00 0.00 176.54 180.85 3aar h ASN 157 N 0.52 0.50 -0.44 0.19 -0.26 -1.90 -0.05 115.58 114.14 3aar h ASN 157 Ca 0.22 -0.14 0.04 0.00 -0.56 0.00 0.00 56.30 55.85 3aar h ASN 157 Cb 0.21 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 37.31 3aar h ASN 157 CO -0.06 0.50 0.22 0.44 -1.06 0.00 0.00 177.43 177.48 3aar h ASP 158 N 0.46 0.32 -0.69 5.81 3.32 -1.77 -1.92 116.42 121.95 3aar h ASP 158 Ca 0.13 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3aar h ASP 158 Cb 0.15 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 3aar h ASP 158 CO -0.01 0.23 0.41 -0.08 -1.72 0.00 0.00 179.24 178.07 3aar h GLU 159 N 0.45 0.94 -0.49 3.56 4.81 -0.95 -1.96 114.58 120.94 3aar h GLU 159 Ca 0.19 -0.09 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 3aar h GLU 159 Cb 0.09 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.23 3aar h GLU 159 CO -0.13 0.68 0.19 0.00 -0.73 0.00 0.00 179.01 179.01 3aar h ALA 160 N 1.21 0.60 -0.39 2.92 0.00 -0.72 0.80 119.26 123.69 3aar h ALA 160 Ca 0.25 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.27 3aar h ALA 160 Cb -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3aar h ALA 160 CO -0.04 -0.20 0.07 1.25 0.00 0.00 0.00 179.25 180.33 3aar h LEU 161 N 0.37 -0.00 -0.79 0.00 5.85 -0.79 -1.29 115.31 118.66 3aar h LEU 161 Ca 0.23 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.94 3aar h LEU 161 Cb 0.23 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3aar h LEU 161 CO -0.22 0.03 0.07 -0.26 -0.34 0.00 0.00 178.44 177.72 3aar h PHE 162 N 0.20 1.04 -0.29 1.25 0.04 -0.64 -1.19 116.94 117.34 3aar h PHE 162 Ca 0.19 -0.14 0.05 0.00 2.80 0.00 0.00 57.97 60.87 3aar h PHE 162 Cb 0.23 -0.29 -0.05 0.00 2.20 0.00 0.00 35.95 38.04 3aar h PHE 162 CO -0.20 0.90 -0.03 -0.44 -0.60 0.00 0.00 178.31 177.94 3aar h ASP 163 N 0.91 -0.18 -0.41 2.17 3.32 -0.50 0.30 116.42 122.04 3aar h ASP 163 Ca 0.18 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 3aar h ASP 163 Cb 0.44 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3aar h ASP 163 CO 0.01 -0.05 0.14 -0.25 -1.72 0.00 0.00 179.24 177.38 3aar h TRP 164 N 0.05 0.65 -0.64 4.55 7.01 -0.81 -1.55 115.95 125.22 3aar h TRP 164 Ca 0.14 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 3aar h TRP 164 Cb 0.20 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 3aar h TRP 164 CO -0.24 0.59 0.37 -0.07 -2.79 0.00 0.00 178.44 176.29 3aar h LEU 165 N 0.52 0.78 -0.30 0.65 3.38 -0.97 -1.50 115.31 117.88 3aar h LEU 165 Ca 0.13 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3aar h LEU 165 Cb 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3aar h LEU 165 CO -0.01 0.63 0.14 0.00 0.09 0.00 0.00 178.44 179.30 3aar h ALA 166 N 1.18 0.38 -0.23 1.53 0.00 -0.64 0.30 119.26 121.79 3aar h ALA 166 Ca 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3aar h ALA 166 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3aar h ALA 166 CO -0.04 -0.05 -0.00 0.28 0.00 0.00 0.00 179.25 179.43 3aar h VAL 167 N 0.34 1.26 -0.07 0.00 2.07 -1.22 -2.04 116.25 116.59 3aar h VAL 167 Ca 0.10 -0.90 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 3aar h VAL 167 Cb 0.13 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3aar h VAL 167 CO -0.01 0.28 -0.38 0.78 0.02 0.00 0.00 177.57 178.25 3aar h ASN 168 N 0.17 0.15 -0.36 0.57 4.21 -1.17 -0.80 115.58 118.35 3aar h ASN 168 Ca 0.06 -0.06 -0.03 0.00 1.21 0.00 0.00 56.30 57.49 3aar h ASN 168 Cb 0.41 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.56 3aar h ASN 168 CO 0.01 0.53 0.11 0.22 -1.29 0.00 0.00 177.43 177.01 3aar h TYR 169 N 0.13 0.58 -0.73 1.19 3.20 -0.82 -1.29 116.97 119.22 3aar h TYR 169 Ca 0.01 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 3aar h TYR 169 Cb 0.74 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 3aar h TYR 169 CO 0.01 0.56 0.38 -0.22 -1.64 0.00 0.00 178.16 177.25 3aar h LYS 170 N 0.42 1.03 -0.00 1.82 3.64 -0.87 -2.26 116.57 120.35 3aar h LYS 170 Ca 0.11 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3aar h LYS 170 Cb 0.26 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3aar h LYS 170 CO -0.00 0.78 -0.03 1.28 -2.27 0.00 0.00 179.45 179.21 3aar n LEU 171 N -4.34 0.08 -3.69 5.20 4.77 -0.35 -4.93 117.00 113.74 3aar n LEU 171 Ca 0.07 0.24 -0.25 0.00 -0.03 0.00 0.00 56.01 56.05 3aar n LEU 171 Cb 0.12 -0.28 0.06 0.00 -2.33 0.00 0.00 43.42 40.99 3aar n LEU 171 CO 0.38 0.02 0.16 -0.67 -1.33 0.00 0.00 177.39 175.95 3aar n ASP 172 N -1.24 -4.85 -0.82 -1.43 2.03 -0.57 -4.92 116.55 104.75 3aar n ASP 172 Ca 0.14 -0.66 0.08 0.00 0.52 0.00 0.00 54.79 54.88 3aar n ASP 172 Cb 0.25 -4.58 0.15 0.00 -0.72 0.00 0.00 41.12 36.22 3aar n ASP 172 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3aar n THR 173 N -4.73 0.48 -0.01 5.18 -2.24 -0.70 -4.61 114.28 107.64 3aar n THR 173 Ca -0.05 -0.74 -0.08 0.00 -2.27 0.00 0.00 64.05 60.91 3aar n THR 173 Cb 0.57 0.94 -0.14 0.00 -2.10 0.00 0.00 70.33 69.61 3aar n THR 173 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3aar h LEU 174 N 3.21 0.00 -0.63 3.22 3.38 -1.92 -3.40 115.31 119.17 3aar h LEU 174 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3aar h LEU 174 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3aar h LEU 174 CO 0.00 1.00 -0.37 0.11 0.09 0.00 0.00 178.44 179.27 3aar h LYS 175 N 0.00 0.00 -5.03 1.13 1.57 -1.92 -3.44 116.57 108.88 3aar h LYS 175 Ca -0.24 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.22 3aar h LYS 175 Cb 1.97 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 34.12 3aar h LYS 175 CO 0.09 0.37 -0.72 -1.54 -0.57 0.00 0.00 179.45 177.07 3aar s SER 176 N -6.36 1.65 0.20 0.86 1.04 -1.26 -4.96 113.70 104.87 3aar s SER 176 Ca 0.02 -0.94 -0.31 0.00 0.48 0.00 0.00 55.95 55.20 3aar s SER 176 Cb 0.09 -0.00 -0.10 0.00 0.10 0.00 0.00 66.02 66.11 3aar s SER 176 CO 0.69 -0.31 1.49 -0.69 0.98 0.00 0.00 173.24 175.41 3aar s VAL 177 N -3.00 2.68 -0.23 5.02 1.01 -1.26 -4.95 120.40 119.66 3aar s VAL 177 Ca 0.12 0.52 -0.11 0.00 0.00 0.00 0.00 61.98 62.52 3aar s VAL 177 Cb 0.01 -3.34 -0.17 0.00 0.00 0.00 0.00 36.38 32.88 3aar s VAL 177 CO 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 175.10 175.08 3aar n GLN 178 N 3.14 0.62 -4.22 2.72 1.13 -1.26 -4.97 117.38 114.55 3aar n GLN 178 Ca 0.10 0.31 -0.35 0.00 -1.94 0.00 0.00 57.00 55.13 3aar n GLN 178 Cb 0.40 -1.59 -0.04 0.00 0.11 0.00 0.00 30.24 29.12 3aar n GLN 178 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3aar n ASN 179 N -3.95 -2.32 -3.20 1.08 5.03 -1.26 -4.93 115.26 105.70 3aar n ASN 179 Ca -0.44 -1.05 0.00 0.00 0.87 0.00 0.00 54.58 53.96 3aar n ASN 179 Cb 0.89 -2.61 -0.02 0.00 -1.02 0.00 0.00 39.78 37.02 3aar n ASN 179 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 3aar s LYS 180 N -6.93 0.59 -0.07 3.52 0.00 -1.26 -5.14 119.74 110.45 3aar s LYS 180 Ca 0.57 0.24 -0.30 0.00 0.00 0.00 0.00 55.97 56.48 3aar s LYS 180 Cb -0.31 0.07 -0.05 0.00 0.00 0.00 0.00 37.83 37.54 3aar s LYS 180 CO 0.94 -1.08 1.52 0.45 0.00 0.00 0.00 175.35 177.18 3aar s SER 181 N 2.51 6.76 -0.17 0.03 0.15 -1.26 -4.86 113.70 116.86 3aar s SER 181 Ca 0.11 2.10 -0.03 0.00 0.70 0.00 0.00 55.95 58.83 3aar s SER 181 Cb -0.09 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.65 3aar s SER 181 CO -0.22 -0.85 -0.05 -0.69 1.20 0.00 0.00 173.24 172.63 3aar s VAL 182 N 3.61 3.66 0.13 4.45 1.01 -1.26 0.44 120.40 132.44 3aar s VAL 182 Ca 0.68 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 62.31 3aar s VAL 182 Cb -0.30 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 3aar s VAL 182 CO 0.26 0.48 -0.14 -0.83 0.00 0.00 0.00 175.10 174.87 3aar s GLY 183 N 0.62 1.73 -0.02 4.51 0.00 -0.19 -4.28 107.32 109.69 3aar s GLY 183 Ca -0.03 -1.35 0.04 0.00 0.00 0.00 0.00 44.72 43.38 3aar s GLY 183 CO 0.03 -1.34 -0.15 0.14 0.00 0.00 0.00 173.10 171.77 3aar s VAL 184 N -1.30 1.22 -0.09 1.40 1.01 -0.34 -1.12 120.40 121.18 3aar s VAL 184 Ca 0.21 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.58 3aar s VAL 184 Cb -0.10 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.25 3aar s VAL 184 CO 0.12 0.35 -0.18 -0.04 0.00 0.00 0.00 175.10 175.35 3aar s MET 185 N -0.18 2.41 -0.29 2.72 -1.94 -0.30 -1.59 119.30 120.13 3aar s MET 185 Ca 0.02 -0.66 -0.07 0.00 -1.71 0.00 0.00 55.69 53.27 3aar s MET 185 Cb -0.08 -1.89 -0.00 0.00 2.01 0.00 0.00 34.83 34.87 3aar s MET 185 CO 0.00 0.10 0.09 0.34 -0.01 0.00 0.00 175.02 175.54 3aar s ASP 186 N 0.53 5.17 -1.26 3.03 2.15 -0.09 -0.90 116.67 125.30 3aar s ASP 186 Ca -0.16 -0.57 -0.13 0.00 0.43 0.00 0.00 52.55 52.11 3aar s ASP 186 Cb -0.17 -1.90 0.15 0.00 -0.30 0.00 0.00 42.92 40.69 3aar s ASP 186 CO 0.06 -0.16 1.66 0.23 -0.17 0.00 0.00 175.17 176.79 3aar n MET 187 N 4.90 3.38 -1.73 4.34 2.81 -0.30 -1.71 117.12 128.80 3aar n MET 187 Ca -0.15 -3.60 -0.29 0.00 -1.81 0.00 0.00 57.70 51.86 3aar n MET 187 Cb 0.49 -3.09 0.13 0.00 -0.71 0.00 0.00 33.22 30.04 3aar n MET 187 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3aar s GLY 188 N 2.51 1.62 0.14 3.03 0.00 -1.08 -1.20 107.32 112.34 3aar s GLY 188 Ca 0.44 -0.72 -0.01 0.00 0.00 0.00 0.00 44.72 44.42 3aar s GLY 188 CO 0.01 -0.14 1.31 -1.33 0.00 0.00 0.00 173.10 172.95 3aar h GLY 189 N -1.41 0.33 0.00 0.20 0.00 -1.95 -0.62 103.07 99.62 3aar h GLY 189 Ca -0.47 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 46.20 3aar h GLY 189 CO 0.58 0.54 -1.19 0.00 0.00 0.00 0.00 176.54 176.46 3aar n ALA 190 N -2.50 1.93 -2.42 3.60 0.00 -1.26 -0.62 120.51 119.24 3aar n ALA 190 Ca -0.05 -0.17 -0.19 0.00 0.00 0.00 0.00 53.44 53.03 3aar n ALA 190 Cb 0.85 0.30 -0.11 0.00 0.00 0.00 0.00 19.45 20.49 3aar n ALA 190 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3aar s SER 191 N -3.80 2.36 -0.04 0.00 1.04 -1.26 -0.79 113.70 111.20 3aar s SER 191 Ca -0.03 -0.91 0.04 0.00 0.48 0.00 0.00 55.95 55.53 3aar s SER 191 Cb 0.01 -0.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 3aar s SER 191 CO 0.10 -0.14 -0.14 0.68 0.98 0.00 0.00 173.24 174.72 3aar s VAL 192 N -2.47 3.09 0.08 5.02 -7.23 -1.01 -2.63 120.40 115.25 3aar s VAL 192 Ca 0.16 -0.74 0.07 0.00 -1.81 0.00 0.00 61.98 59.67 3aar s VAL 192 Cb -0.03 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 3aar s VAL 192 CO 0.05 0.57 -0.16 -1.10 -0.31 0.00 0.00 175.10 174.16 3aar s GLN 193 N -0.79 2.01 0.00 4.82 1.11 -0.70 -0.81 119.66 125.31 3aar s GLN 193 Ca 0.12 -1.04 0.02 0.00 0.01 0.00 0.00 55.36 54.47 3aar s GLN 193 Cb -0.11 -2.20 -0.01 0.00 -1.01 0.00 0.00 33.01 29.68 3aar s GLN 193 CO 0.01 0.52 -0.06 -1.50 0.01 0.00 0.00 175.29 174.27 3aar s ILE 194 N -1.05 0.45 -0.20 1.08 2.07 -0.52 -0.91 121.20 122.11 3aar s ILE 194 Ca 0.17 -0.34 -0.13 0.00 -1.41 0.00 0.00 60.65 58.94 3aar s ILE 194 Cb -0.11 -0.40 0.06 0.00 0.13 0.00 0.00 42.46 42.14 3aar s ILE 194 CO 0.08 0.06 0.51 0.54 -1.91 0.00 0.00 174.94 174.22 3aar s VAL 195 N -0.29 -0.01 0.02 4.00 0.11 -0.62 -1.53 120.40 122.08 3aar s VAL 195 Ca 0.01 0.05 -0.21 0.00 -2.93 0.00 0.00 61.98 58.90 3aar s VAL 195 Cb -0.03 -0.74 0.04 0.00 -1.53 0.00 0.00 36.38 34.13 3aar s VAL 195 CO -0.00 0.02 0.47 0.72 -3.33 0.00 0.00 175.10 172.98 3aar s PHE 196 N 1.27 -0.36 0.37 1.54 -0.12 -0.76 -1.19 117.98 118.73 3aar s PHE 196 Ca -0.08 0.43 -0.28 0.00 -0.05 0.00 0.00 56.93 56.95 3aar s PHE 196 Cb -0.07 0.27 -0.11 0.00 -0.63 0.00 0.00 43.02 42.48 3aar s PHE 196 CO -0.12 -0.57 1.50 -2.14 -0.05 0.00 0.00 175.22 173.83 3aar s PRO 197 N -2.13 4.10 -0.28 1.99 0.02 -1.26 -0.48 135.00 136.95 3aar s PRO 197 Ca -0.07 2.58 -0.15 0.00 0.02 0.00 0.00 61.00 63.38 3aar s PRO 197 Cb -0.01 -2.97 0.09 0.00 0.02 0.00 0.00 34.50 31.63 3aar s PRO 197 CO 0.00 -0.55 0.71 1.41 -0.33 0.00 0.00 177.00 178.25 3aar s MET 198 N -2.00 0.66 0.55 5.54 1.75 -0.37 -4.72 119.30 120.71 3aar s MET 198 Ca 0.54 1.20 -0.21 0.00 -1.25 0.00 0.00 55.69 55.96 3aar s MET 198 Cb -0.47 0.21 -0.06 0.00 2.84 0.00 0.00 34.83 37.36 3aar s MET 198 CO 0.62 -0.15 1.20 -2.30 -0.65 0.00 0.00 175.02 173.74 3aar n PRO 199 N 4.39 1.40 -1.60 4.11 -0.02 -1.26 -4.01 135.00 138.02 3aar n PRO 199 Ca -0.19 0.52 -0.52 0.00 -2.02 0.00 0.00 63.50 61.29 3aar n PRO 199 Cb 0.58 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 3aar n PRO 199 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3aar n LYS 200 N -0.88 1.20 -3.85 -0.52 4.81 -1.26 -4.96 118.16 112.70 3aar n LYS 200 Ca 0.11 0.43 -0.27 0.00 -0.87 0.00 0.00 58.31 57.71 3aar n LYS 200 Cb 0.45 -2.08 -0.17 0.00 0.02 0.00 0.00 35.03 33.25 3aar n LYS 200 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3aar s ASN 201 N 0.57 2.65 0.55 3.14 3.84 -1.26 -5.02 114.94 119.41 3aar s ASN 201 Ca 0.84 -0.60 0.33 0.00 0.21 0.00 0.00 52.86 53.65 3aar s ASN 201 Cb -0.94 -0.79 1.50 0.00 -0.55 0.00 0.00 41.25 40.46 3aar s ASN 201 CO 0.47 -0.20 2.04 0.00 -2.79 0.00 0.00 177.10 176.61 3aar h ALA 202 N 8.17 1.04 0.00 1.71 0.00 -2.00 -2.59 119.26 125.60 3aar h ALA 202 Ca -0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3aar h ALA 202 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3aar h ALA 202 CO 0.37 0.06 -0.13 -0.85 0.00 0.00 0.00 179.25 178.70 3aar n GLU 203 N -3.21 0.11 -4.17 0.00 0.00 -1.26 -4.84 120.64 107.27 3aar n GLU 203 Ca -0.00 0.07 -0.34 0.00 0.00 0.00 0.00 57.16 56.88 3aar n GLU 203 Cb 0.27 -1.61 -0.08 0.00 0.00 0.00 0.00 31.44 30.03 3aar n GLU 203 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3aar s ILE 204 N -3.05 4.70 0.17 3.84 1.01 -0.98 -5.05 121.20 121.85 3aar s ILE 204 Ca 0.12 -0.24 -0.32 0.00 0.00 0.00 0.00 60.65 60.21 3aar s ILE 204 Cb 0.16 -3.07 -0.16 0.00 0.01 0.00 0.00 42.46 39.40 3aar s ILE 204 CO 0.59 0.50 0.97 -0.24 0.00 0.00 0.00 174.94 176.76 3aar n SER 205 N 1.69 0.51 0.29 3.58 2.88 -1.26 -4.84 113.62 116.47 3aar n SER 205 Ca -0.16 1.15 0.15 0.00 -1.33 0.00 0.00 58.87 58.68 3aar n SER 205 Cb 0.53 -1.12 0.89 0.00 -0.75 0.00 0.00 64.21 63.77 3aar n SER 205 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3aar h LYS 206 N 2.55 0.00 0.00 -1.46 2.10 -1.91 -2.59 116.57 115.26 3aar h LYS 206 Ca -0.40 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.18 3aar h LYS 206 Cb 1.38 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.70 3aar h LYS 206 CO 0.65 0.04 -0.32 0.45 -2.00 0.00 0.00 179.45 178.27 3aar h HIS 207 N 0.00 0.00 -0.43 0.07 3.86 -1.98 -2.79 115.15 113.88 3aar h HIS 207 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3aar h HIS 207 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3aar h HIS 207 CO 0.00 0.32 0.00 0.09 0.86 0.00 0.00 177.93 179.20 3aar n ASN 208 N -3.38 2.53 -3.97 2.45 3.02 -0.98 -4.87 115.26 110.07 3aar n ASN 208 Ca 0.01 -2.07 -0.18 0.00 -0.03 0.00 0.00 54.58 52.31 3aar n ASN 208 Cb 0.52 -0.33 -0.15 0.00 -0.61 0.00 0.00 39.78 39.21 3aar n ASN 208 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3aar s GLN 209 N -1.49 0.60 0.05 3.52 -0.21 -1.05 -0.57 119.66 120.50 3aar s GLN 209 Ca 0.30 -0.21 0.08 0.00 0.02 0.00 0.00 55.36 55.54 3aar s GLN 209 Cb 0.16 -0.59 -0.03 0.00 1.00 0.00 0.00 33.01 33.56 3aar s GLN 209 CO 0.19 0.10 -0.22 0.08 -2.12 0.00 0.00 175.29 173.32 3aar s VAL 210 N 0.05 1.74 -0.07 1.09 1.01 -0.32 -4.93 120.40 118.98 3aar s VAL 210 Ca -0.00 -1.26 0.04 0.00 0.00 0.00 0.00 61.98 60.76 3aar s VAL 210 Cb -0.05 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.81 3aar s VAL 210 CO -0.00 0.21 -0.20 -1.61 0.00 0.00 0.00 175.10 173.50 3aar s GLU 211 N -1.25 2.31 0.11 2.72 2.02 -1.26 -1.54 118.70 121.82 3aar s GLU 211 Ca 0.08 -0.71 -0.23 0.00 0.02 0.00 0.00 54.97 54.14 3aar s GLU 211 Cb -0.09 -1.87 0.06 0.00 0.10 0.00 0.00 34.13 32.33 3aar s GLU 211 CO 0.02 0.20 0.56 -0.48 0.02 0.00 0.00 175.26 175.58 3aar s LEU 212 N 0.24 -0.33 -0.15 1.80 2.34 -0.90 -5.02 118.68 116.67 3aar s LEU 212 Ca -0.11 0.06 0.02 0.00 0.06 0.00 0.00 54.13 54.15 3aar s LEU 212 Cb -0.15 2.38 0.01 0.00 -0.56 0.00 0.00 46.19 47.88 3aar s LEU 212 CO 0.05 -0.87 -0.20 0.21 -1.06 0.00 0.00 176.35 174.48 3aar s ASN 213 N -2.45 3.01 -0.04 1.48 3.84 -1.26 -0.15 114.94 119.36 3aar s ASN 213 Ca -0.01 -0.59 0.02 0.00 0.21 0.00 0.00 52.86 52.49 3aar s ASN 213 Cb -0.00 -1.40 0.01 0.00 -0.55 0.00 0.00 41.25 39.31 3aar s ASN 213 CO -0.08 0.04 -0.09 -0.63 -2.79 0.00 0.00 177.10 173.54 3aar s ILE 214 N 1.04 0.84 -1.58 -5.21 -1.09 -0.55 -4.75 121.20 109.91 3aar s ILE 214 Ca -0.02 -0.34 -0.15 0.00 -2.23 0.00 0.00 60.65 57.91 3aar s ILE 214 Cb -0.14 -0.78 0.11 0.00 -1.58 0.00 0.00 42.46 40.07 3aar s ILE 214 CO -0.06 0.28 0.86 -1.22 -1.23 0.00 0.00 174.94 173.57 3aar n TYR 215 N 3.69 -2.04 -0.96 3.97 4.01 -1.26 -1.42 117.16 123.15 3aar n TYR 215 Ca -0.22 0.82 0.00 0.00 -0.16 0.00 0.00 57.90 58.34 3aar n TYR 215 Cb 0.52 -3.48 0.00 0.00 -0.31 0.00 0.00 39.34 36.07 3aar n TYR 215 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3aar n GLY 216 N -1.52 0.91 3.58 2.72 0.00 -1.26 -4.92 105.19 104.70 3aar n GLY 216 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3aar n GLY 216 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3aar s GLN 217 N -0.09 3.25 0.17 1.61 -0.21 -0.50 -5.08 119.66 118.80 3aar s GLN 217 Ca 0.00 -0.48 -0.30 0.00 0.02 0.00 0.00 55.36 54.60 3aar s GLN 217 Cb 0.00 -2.81 -0.08 0.00 1.00 0.00 0.00 33.01 31.12 3aar s GLN 217 CO 0.00 0.49 1.17 -0.80 -2.12 0.00 0.00 175.29 174.03 3aar s ASN 218 N -0.31 7.13 0.01 5.90 0.01 -1.26 -1.48 114.94 124.94 3aar s ASN 218 Ca 0.06 2.17 0.06 0.00 -0.71 0.00 0.00 52.86 54.43 3aar s ASN 218 Cb -0.12 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 38.92 3aar s ASN 218 CO 0.02 -0.35 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.45 3aar s ILE 219 N 0.06 1.45 -0.11 0.60 1.01 0.78 -4.98 121.20 120.01 3aar s ILE 219 Ca 0.53 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 60.26 3aar s ILE 219 Cb -0.31 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 40.94 3aar s ILE 219 CO 0.35 0.30 -0.09 0.20 0.00 0.00 0.00 174.94 175.70 3aar s ASN 220 N -0.72 2.19 0.02 3.58 -0.87 -1.26 -2.11 114.94 115.77 3aar s ASN 220 Ca 0.06 -0.33 0.08 0.00 -1.57 0.00 0.00 52.86 51.11 3aar s ASN 220 Cb -0.08 -0.88 -0.02 0.00 -0.02 0.00 0.00 41.25 40.25 3aar s ASN 220 CO 0.00 -0.09 -0.23 -0.76 -2.57 0.00 0.00 177.10 173.45 3aar s LEU 221 N 1.54 2.12 -0.04 0.60 1.43 -0.59 -1.24 118.68 122.51 3aar s LEU 221 Ca 0.02 -0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 52.40 3aar s LEU 221 Cb -0.13 -1.12 -0.05 0.00 0.03 0.00 0.00 46.19 44.92 3aar s LEU 221 CO -0.07 0.23 0.65 -0.47 0.23 0.00 0.00 176.35 176.92 3aar s TYR 222 N -0.71 3.63 0.01 0.29 5.04 0.37 -1.17 117.35 124.81 3aar s TYR 222 Ca 0.09 1.22 0.05 0.00 -2.44 0.00 0.00 57.07 55.99 3aar s TYR 222 Cb -0.09 -2.71 -0.02 0.00 0.35 0.00 0.00 41.96 39.49 3aar s TYR 222 CO 0.01 0.21 -0.16 0.14 -1.34 0.00 0.00 175.55 174.41 3aar s VAL 223 N 0.34 1.24 -0.10 3.14 -7.23 0.26 -1.83 120.40 116.22 3aar s VAL 223 Ca 0.34 -0.82 -0.15 0.00 -1.81 0.00 0.00 61.98 59.54 3aar s VAL 223 Cb -0.18 -1.06 0.04 0.00 0.56 0.00 0.00 36.38 35.73 3aar s VAL 223 CO 0.18 0.23 0.39 -2.28 -0.31 0.00 0.00 175.10 173.31 3aar s HIS 224 N -0.55 -0.37 0.04 2.82 2.46 -0.58 -4.44 115.29 114.67 3aar s HIS 224 Ca 0.05 0.83 0.04 0.00 0.47 0.00 0.00 55.06 56.45 3aar s HIS 224 Cb -0.07 0.15 -0.02 0.00 -0.13 0.00 0.00 32.58 32.51 3aar s HIS 224 CO 0.00 -0.30 -0.12 0.45 -2.47 0.00 0.00 174.74 172.31 3aar s SER 225 N -0.37 1.35 -0.32 9.88 0.15 -1.26 -1.44 113.70 121.69 3aar s SER 225 Ca -0.05 -0.45 0.01 0.00 0.70 0.00 0.00 55.95 56.16 3aar s SER 225 Cb -0.03 -0.06 0.08 0.00 -1.71 0.00 0.00 66.02 64.29 3aar s SER 225 CO 0.02 -0.03 0.01 -0.36 1.20 0.00 0.00 173.24 174.08 3aar s PHE 226 N -0.92 3.47 0.01 3.44 0.08 0.01 -4.95 117.98 119.12 3aar s PHE 226 Ca -0.01 -2.45 -0.30 0.00 0.12 0.00 0.00 56.93 54.28 3aar s PHE 226 Cb -0.08 -2.47 -0.04 0.00 -0.57 0.00 0.00 43.02 39.87 3aar s PHE 226 CO 0.01 -0.90 1.08 -1.17 -0.10 0.00 0.00 175.22 174.14 3aar s LEU 227 N 1.08 4.35 0.00 -0.37 2.96 -1.26 -2.41 118.68 123.03 3aar s LEU 227 Ca 0.01 1.79 0.00 0.00 -0.22 0.00 0.00 54.13 55.71 3aar s LEU 227 Cb -0.20 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.92 3aar s LEU 227 CO -0.05 -0.38 0.00 0.61 -1.32 0.00 0.00 176.35 175.21 3aar n GLY 228 N 3.07 3.41 0.10 7.98 0.00 0.03 -4.90 105.19 114.87 3aar n GLY 228 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.24 3aar n GLY 228 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3aar n LEU 229 N 0.00 0.43 -4.61 0.99 7.94 -1.09 -2.75 117.00 117.91 3aar n LEU 229 Ca 0.00 0.04 -0.36 0.00 -1.11 0.00 0.00 56.01 54.58 3aar n LEU 229 Cb 0.00 -0.21 0.08 0.00 0.53 0.00 0.00 43.42 43.82 3aar n LEU 229 CO 0.00 0.08 0.51 0.61 -1.11 0.00 0.00 177.39 177.48 3aar n GLY 230 N 1.30 -0.48 0.26 -3.96 0.00 -0.69 -4.64 105.19 96.98 3aar n GLY 230 Ca 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3aar n GLY 230 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3aar h GLN 231 N -0.14 0.41 0.19 1.61 3.07 -0.82 -0.17 115.11 119.25 3aar h GLN 231 Ca -0.47 -0.10 -0.01 0.00 0.09 0.00 0.00 58.65 58.16 3aar h GLN 231 Cb 1.34 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.85 3aar h GLN 231 CO 0.47 0.50 -0.09 1.15 0.09 0.00 0.00 178.83 180.95 3aar h THR 232 N 0.39 0.91 -0.30 1.86 2.02 -1.11 -2.00 112.91 114.68 3aar h THR 232 Ca 0.08 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 3aar h THR 232 Cb 0.38 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 3aar h THR 232 CO 0.02 0.17 0.18 -0.33 0.37 0.00 0.00 175.52 175.93 3aar h GLU 233 N -0.66 0.41 -0.16 6.66 4.39 -1.20 -2.85 114.58 121.18 3aar h GLU 233 Ca -0.03 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 3aar h GLU 233 Cb 0.47 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 3aar h GLU 233 CO 0.04 0.33 -0.21 0.00 -1.16 0.00 0.00 179.01 178.01 3aar h MET 234 N 0.38 0.27 0.00 2.33 -0.00 -0.84 -2.84 114.93 114.24 3aar h MET 234 Ca 0.11 -0.08 -0.01 0.00 -0.00 0.00 0.00 59.70 59.71 3aar h MET 234 Cb 0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 31.60 31.60 3aar h MET 234 CO -0.02 0.48 -0.05 0.66 -0.00 0.00 0.00 176.91 177.97 3aar h SER 235 N 0.25 0.00 0.11 -0.10 4.64 -1.11 -0.85 113.55 116.49 3aar h SER 235 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3aar h SER 235 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3aar h SER 235 CO 0.04 0.05 0.00 0.45 -0.87 0.00 0.00 176.83 176.50 3aar h HIS 236 N 0.00 0.00 0.00 4.77 -0.00 -1.52 -0.87 115.15 117.54 3aar h HIS 236 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3aar h HIS 236 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.52 3aar h HIS 236 CO 0.00 0.00 -0.83 1.96 -0.00 0.00 0.00 177.93 179.06 3aar h GLN 237 N 0.00 0.00 -0.13 2.45 1.08 -1.34 -3.40 115.11 113.77 3aar h GLN 237 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3aar h GLN 237 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3aar h GLN 237 CO 0.00 0.00 0.00 1.19 -0.95 0.00 0.00 178.83 179.07 3aar n PHE 238 N -2.28 0.17 0.25 2.96 3.72 -0.34 -4.72 117.46 117.22 3aar n PHE 238 Ca 0.02 -0.28 0.13 0.00 -0.05 0.00 0.00 57.45 57.28 3aar n PHE 238 Cb 0.48 -0.02 0.63 0.00 -0.94 0.00 0.00 39.48 39.63 3aar n PHE 238 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3aar h LEU 239 N 1.36 0.00 -3.39 4.37 3.38 -1.77 -1.97 115.31 117.29 3aar h LEU 239 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3aar h LEU 239 Cb 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3aar h LEU 239 CO 0.00 0.13 0.02 0.59 0.09 0.00 0.00 178.44 179.27 3aar n ASN 240 N -3.37 4.32 -4.42 -0.43 5.03 -1.26 -4.34 115.26 110.79 3aar n ASN 240 Ca -0.00 -3.08 -0.44 0.00 0.87 0.00 0.00 54.58 51.93 3aar n ASN 240 Cb 0.33 -0.61 -0.06 0.00 -1.02 0.00 0.00 39.78 38.42 3aar n ASN 240 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3aar s SER 241 N -1.63 6.20 0.56 6.41 0.01 -0.74 -4.95 113.70 119.57 3aar s SER 241 Ca 0.47 -1.07 0.25 0.00 1.31 0.00 0.00 55.95 56.91 3aar s SER 241 Cb 0.38 -2.27 1.61 0.00 0.21 0.00 0.00 66.02 65.95 3aar s SER 241 CO 0.10 -0.88 2.20 -0.65 0.41 0.00 0.00 173.24 174.42 3aar h PRO 242 N 8.97 0.00 0.00 12.44 0.11 -1.88 -1.14 132.00 150.51 3aar h PRO 242 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3aar h PRO 242 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3aar h PRO 242 CO 0.97 0.02 0.00 0.77 -0.21 0.00 0.00 178.00 179.55 3aar h SER 243 N 0.00 0.00 -0.51 -2.05 0.02 -1.91 0.24 113.55 109.33 3aar h SER 243 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3aar h SER 243 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3aar h SER 243 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 3aar s PHE 245 N -1.33 0.74 0.69 0.00 0.08 -1.13 -2.16 117.98 114.87 3aar s PHE 245 Ca 0.43 -0.72 -0.17 0.00 0.12 0.00 0.00 56.93 56.59 3aar s PHE 245 Cb 0.24 -0.44 -0.00 0.00 -0.57 0.00 0.00 43.02 42.24 3aar s PHE 245 CO 0.33 -0.14 1.03 0.00 -0.10 0.00 0.00 175.22 176.34 3aar n ALA 246 N 0.72 0.08 -1.66 5.36 0.00 -1.26 -1.30 120.51 122.45 3aar n ALA 246 Ca -0.18 -0.13 -0.49 0.00 0.00 0.00 0.00 53.44 52.65 3aar n ALA 246 Cb 0.58 -2.16 -0.05 0.00 0.00 0.00 0.00 19.45 17.82 3aar n ALA 246 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3aar n ASN 247 N -1.63 2.78 0.00 0.00 3.02 -0.58 -1.40 115.26 117.46 3aar n ASN 247 Ca 0.14 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.75 3aar n ASN 247 Cb 0.49 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 3aar n ASN 247 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3aar n ASP 248 N 4.09 -2.23 -4.72 6.41 8.00 -0.29 -0.70 116.55 127.09 3aar n ASP 248 Ca 0.19 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.27 3aar n ASP 248 Cb 0.25 -0.87 -0.03 0.00 -0.02 0.00 0.00 41.12 40.46 3aar n ASP 248 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3aar s TYR 249 N -2.41 3.03 -0.41 1.24 5.04 -0.49 -4.60 117.35 118.75 3aar s TYR 249 Ca 0.00 0.69 -0.29 0.00 -2.44 0.00 0.00 57.07 55.03 3aar s TYR 249 Cb 0.00 -3.93 0.01 0.00 0.35 0.00 0.00 41.96 38.39 3aar s TYR 249 CO 0.00 -3.35 1.35 -2.14 -1.34 0.00 0.00 175.55 170.07 3aar s PRO 250 N 0.78 3.64 0.55 4.97 0.02 -1.26 -0.24 135.00 143.47 3aar s PRO 250 Ca 0.68 0.91 -0.16 0.00 0.02 0.00 0.00 61.00 62.45 3aar s PRO 250 Cb -0.44 -3.99 -0.06 0.00 0.02 0.00 0.00 34.50 30.04 3aar s PRO 250 CO 0.34 -1.48 1.02 -0.51 -0.33 0.00 0.00 177.00 176.05 3aar s LEU 251 N 5.13 3.57 0.36 -5.54 1.43 -0.35 -4.95 118.68 118.33 3aar s LEU 251 Ca 0.58 1.70 0.13 0.00 -1.03 0.00 0.00 54.13 55.52 3aar s LEU 251 Cb -0.13 -4.52 0.96 0.00 0.03 0.00 0.00 46.19 42.53 3aar s LEU 251 CO 0.31 -0.88 1.78 -0.65 0.23 0.00 0.00 176.35 177.15 3aar h PRO 252 N 0.70 0.52 -0.00 1.29 0.11 -1.87 -1.65 132.00 131.10 3aar h PRO 252 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3aar h PRO 252 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3aar h PRO 252 CO 0.59 0.34 0.00 -0.40 -0.21 0.00 0.00 178.00 178.33 3aar n ASP 253 N -4.69 0.10 0.00 -2.05 5.68 -1.26 -4.88 116.55 109.44 3aar n ASP 253 Ca 0.24 -1.04 0.00 0.00 -0.50 0.00 0.00 54.79 53.49 3aar n ASP 253 Cb 0.74 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.72 3aar n ASP 253 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3aar n GLY 254 N 1.01 0.65 3.90 6.12 0.00 -0.62 -5.08 105.19 111.18 3aar n GLY 254 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 3aar n GLY 254 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3aar s GLU 255 N -0.87 1.18 0.01 1.61 0.41 -1.26 -4.81 118.70 114.96 3aar s GLU 255 Ca 0.00 -0.15 0.04 0.00 -0.41 0.00 0.00 54.97 54.45 3aar s GLU 255 Cb 0.00 -1.88 -0.03 0.00 -1.78 0.00 0.00 34.13 30.43 3aar s GLU 255 CO 0.00 -2.09 -0.09 -1.12 -0.49 0.00 0.00 175.26 171.47 3aar s SER 256 N -4.70 4.46 0.45 -0.19 0.01 -1.26 -1.22 113.70 111.24 3aar s SER 256 Ca 0.68 -0.20 -0.24 0.00 1.31 0.00 0.00 55.95 57.51 3aar s SER 256 Cb -0.07 -0.99 -0.09 0.00 0.21 0.00 0.00 66.02 65.08 3aar s SER 256 CO 0.51 0.28 1.17 0.61 0.41 0.00 0.00 173.24 176.23 3aar n GLY 257 N 1.58 0.26 2.50 3.44 0.00 0.67 -4.73 105.19 108.91 3aar n GLY 257 Ca -0.16 0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 3aar n GLY 257 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3aar n GLN 258 N -0.11 0.47 -2.30 1.61 7.27 0.06 -1.14 117.38 123.24 3aar n GLN 258 Ca 0.08 -2.67 -0.37 0.00 0.07 0.00 0.00 57.00 54.12 3aar n GLN 258 Cb 0.40 -1.50 -0.01 0.00 2.41 0.00 0.00 30.24 31.55 3aar n GLN 258 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3aar s GLY 259 N -0.21 2.74 -0.29 1.69 0.00 -0.42 -3.95 107.32 106.88 3aar s GLY 259 Ca 0.32 0.88 0.01 0.00 0.00 0.00 0.00 44.72 45.94 3aar s GLY 259 CO -0.15 1.31 0.56 0.21 0.00 0.00 0.00 173.10 175.04 3aar s ASN 260 N -1.47 -1.17 0.20 1.64 2.47 -0.06 -4.19 114.94 112.36 3aar s ASN 260 Ca 0.64 0.50 -0.10 0.00 0.42 0.00 0.00 52.86 54.32 3aar s ASN 260 Cb -0.27 1.94 0.24 0.00 -1.45 0.00 0.00 41.25 41.71 3aar s ASN 260 CO 0.32 -0.28 1.76 0.00 -3.72 0.00 0.00 177.10 175.17 3aar h ALA 261 N 8.03 0.75 -0.87 1.71 0.00 -1.89 -0.70 119.26 126.29 3aar h ALA 261 Ca -0.15 0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.92 3aar h ALA 261 Cb 1.17 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 3aar h ALA 261 CO 0.23 -0.16 0.57 -1.35 0.00 0.00 0.00 179.25 178.53 3aar h PRO 262 N 0.44 0.85 -0.15 0.00 0.11 -1.94 0.19 132.00 131.50 3aar h PRO 262 Ca 0.28 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.26 3aar h PRO 262 Cb 0.31 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 3aar h PRO 262 CO -0.26 0.56 -0.22 0.77 -0.21 0.00 0.00 178.00 178.64 3aar h SER 263 N 0.88 0.45 -0.29 -2.05 0.02 -1.58 -1.30 113.55 109.68 3aar h SER 263 Ca 0.40 -0.52 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3aar h SER 263 Cb 0.38 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3aar h SER 263 CO -0.17 0.88 0.15 0.00 -1.14 0.00 0.00 176.83 176.56 3aar h LYS 265 N 0.34 0.26 -0.99 0.00 3.64 -0.61 -0.72 116.57 118.49 3aar h LYS 265 Ca 0.10 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 3aar h LYS 265 Cb 0.08 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.77 3aar h LYS 265 CO -0.02 0.17 0.64 0.93 -2.27 0.00 0.00 179.45 178.91 3aar h GLU 266 N 0.27 1.14 -0.01 1.90 4.39 -0.89 0.20 114.58 121.58 3aar h GLU 266 Ca 0.27 -0.07 -0.17 0.00 0.34 0.00 0.00 59.36 59.73 3aar h GLU 266 Cb 0.35 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 3aar h GLU 266 CO -0.33 0.75 -0.77 0.93 -1.16 0.00 0.00 179.01 178.43 3aar h GLU 267 N 1.17 0.14 -0.31 2.33 5.08 -0.72 -2.49 114.58 119.78 3aar h GLU 267 Ca 0.43 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.53 3aar h GLU 267 Cb 0.15 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3aar h GLU 267 CO -0.16 0.84 -0.29 0.28 -1.00 0.00 0.00 179.01 178.68 3aar h VAL 268 N 0.09 1.30 -0.86 3.13 2.07 -0.71 -3.22 116.25 118.05 3aar h VAL 268 Ca -0.02 -1.46 0.09 0.00 0.82 0.00 0.00 66.70 66.13 3aar h VAL 268 Cb 1.36 1.54 -0.06 0.00 -1.52 0.00 0.00 31.29 32.60 3aar h VAL 268 CO 0.11 0.47 0.56 0.74 0.02 0.00 0.00 177.57 179.47 3aar h THR 269 N 0.50 0.98 -0.16 2.57 2.02 -0.49 -0.93 112.91 117.41 3aar h THR 269 Ca 0.05 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.94 3aar h THR 269 Cb 0.86 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3aar h THR 269 CO 0.07 0.16 0.10 0.77 0.37 0.00 0.00 175.52 176.99 3aar h SER 270 N 0.86 0.16 -0.47 4.18 4.64 -1.45 0.80 113.55 122.27 3aar h SER 270 Ca 0.39 -0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.74 3aar h SER 270 Cb 0.37 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.39 3aar h SER 270 CO -0.16 0.12 0.24 0.25 -0.87 0.00 0.00 176.83 176.42 3aar h LEU 271 N 0.20 0.36 -0.25 5.97 5.85 -1.43 0.37 115.31 126.38 3aar h LEU 271 Ca 0.06 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3aar h LEU 271 Cb -0.01 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3aar h LEU 271 CO -0.02 0.26 0.09 0.24 -0.34 0.00 0.00 178.44 178.67 3aar h MET 272 N 0.48 0.37 0.00 1.25 2.86 -0.72 -2.43 114.93 116.75 3aar h MET 272 Ca 0.20 -0.07 -0.25 0.00 -2.06 0.00 0.00 59.70 57.51 3aar h MET 272 Cb 0.09 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.65 3aar h MET 272 CO -0.13 0.42 -1.83 0.09 1.06 0.00 0.00 176.91 176.52 3aar n ASN 273 N -4.78 0.56 -0.01 1.22 3.02 0.23 -0.97 115.26 114.53 3aar n ASN 273 Ca -0.03 0.26 -0.13 0.00 -0.03 0.00 0.00 54.58 54.65 3aar n ASN 273 Cb 0.14 0.46 -0.14 0.00 -0.61 0.00 0.00 39.78 39.63 3aar n ASN 273 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3aar h SER 274 N 0.00 0.15 0.00 6.41 0.02 -1.04 -3.14 113.55 115.94 3aar h SER 274 Ca -0.30 -0.32 -0.09 0.00 -0.84 0.00 0.00 61.79 60.23 3aar h SER 274 Cb 1.87 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 64.35 3aar h SER 274 CO 0.05 1.29 -1.03 0.52 -1.14 0.00 0.00 176.83 176.52 3aar n VAL 275 N -3.20 1.47 0.60 2.27 0.31 -0.99 -4.62 118.33 114.18 3aar n VAL 275 Ca -0.21 0.08 0.13 0.00 -0.01 0.00 0.00 64.34 64.32 3aar n VAL 275 Cb 1.05 -2.26 0.33 0.00 -0.91 0.00 0.00 33.84 32.05 3aar n VAL 275 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3aar n HIS 276 N -4.49 0.84 -3.53 3.52 8.25 -0.95 -4.94 115.22 113.91 3aar n HIS 276 Ca -0.19 0.24 -0.26 0.00 -0.26 0.00 0.00 57.72 57.26 3aar n HIS 276 Cb 0.49 -0.87 0.04 0.00 1.12 0.00 0.00 29.99 30.76 3aar n HIS 276 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3aar n LYS 277 N -2.23 -5.57 0.16 -0.41 5.02 -0.15 -4.91 118.16 110.08 3aar n LYS 277 Ca 0.05 0.71 -0.14 0.00 -2.02 0.00 0.00 58.31 56.91 3aar n LYS 277 Cb 0.44 -5.60 -0.07 0.00 -0.02 0.00 0.00 35.03 29.78 3aar n LYS 277 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3aar h VAL 278 N -1.87 0.51 -0.37 -0.18 2.07 -1.56 -2.39 116.25 112.46 3aar h VAL 278 Ca -0.54 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3aar h VAL 278 Cb 1.36 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3aar h VAL 278 CO 0.60 0.00 0.20 -1.13 0.02 0.00 0.00 177.57 177.26 3aar h ASN 279 N -0.49 0.46 -0.86 0.57 -0.73 -1.80 0.50 115.58 113.24 3aar h ASN 279 Ca -0.00 -0.09 0.13 0.00 1.87 0.00 0.00 56.30 58.20 3aar h ASN 279 Cb 0.45 -0.12 -0.09 0.00 0.27 0.00 0.00 38.32 38.84 3aar h ASN 279 CO -0.05 0.43 0.48 -0.61 -0.37 0.00 0.00 177.43 177.30 3aar h GLN 280 N 0.46 0.71 0.12 6.67 4.15 -1.85 -1.42 115.11 123.96 3aar h GLN 280 Ca 0.13 -0.04 -0.30 0.00 0.77 0.00 0.00 58.65 59.21 3aar h GLN 280 Cb 0.07 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 3aar h GLN 280 CO -0.02 0.47 -1.55 1.96 -1.93 0.00 0.00 178.83 177.76 3aar h GLN 281 N 0.73 0.24 0.06 1.69 4.20 -1.12 -3.43 115.11 117.48 3aar h GLN 281 Ca 0.45 -0.42 -0.25 0.00 0.06 0.00 0.00 58.65 58.49 3aar h GLN 281 Cb 0.53 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 3aar h GLN 281 CO -0.31 1.20 -1.33 0.82 -0.67 0.00 0.00 178.83 178.54 3aar h ILE 282 N -0.25 0.97 -0.47 2.54 1.08 -0.87 -3.40 117.51 117.11 3aar h ILE 282 Ca -0.34 -2.28 0.04 0.00 -0.39 0.00 0.00 64.86 61.89 3aar h ILE 282 Cb 1.81 2.51 -0.04 0.00 -3.07 0.00 0.00 36.82 38.03 3aar h ILE 282 CO 0.05 0.55 0.24 -0.61 -0.69 0.00 0.00 178.15 177.69 3aar h GLN 283 N -0.61 0.46 -0.94 2.37 -0.00 -1.41 -1.23 115.11 113.75 3aar h GLN 283 Ca -0.32 -0.03 0.03 0.00 -0.00 0.00 0.00 58.65 58.34 3aar h GLN 283 Cb 1.54 -0.10 -0.05 0.00 0.00 0.00 0.00 27.48 28.86 3aar h GLN 283 CO -0.06 0.31 0.62 -1.35 0.00 0.00 0.00 178.83 178.34 3aar h PRO 284 N 0.48 1.16 -0.16 -2.39 0.11 -1.80 -1.07 132.00 128.33 3aar h PRO 284 Ca 0.21 -0.07 -0.22 0.00 0.11 0.00 0.00 66.00 66.02 3aar h PRO 284 Cb 0.11 -0.26 0.01 0.00 0.11 0.00 0.00 31.00 30.97 3aar h PRO 284 CO -0.14 0.77 -0.78 -0.07 -0.21 0.00 0.00 178.00 177.56 3aar h LEU 285 N 1.19 0.96 -0.90 2.35 3.38 -1.59 -2.53 115.31 118.17 3aar h LEU 285 Ca 0.37 -0.63 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 3aar h LEU 285 Cb 0.00 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3aar h LEU 285 CO -0.11 1.43 0.25 -0.07 0.09 0.00 0.00 178.44 180.02 3aar h LEU 286 N 0.55 0.97 -0.69 1.67 3.38 -1.09 -0.98 115.31 119.12 3aar h LEU 286 Ca -0.05 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.81 3aar h LEU 286 Cb 1.41 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 3aar h LEU 286 CO 0.16 0.89 0.40 0.00 0.09 0.00 0.00 178.44 179.98 3aar h ALA 287 N 1.25 0.92 0.00 1.53 0.00 -1.08 -2.74 119.26 119.13 3aar h ALA 287 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3aar h ALA 287 Cb 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3aar h ALA 287 CO -0.01 0.10 -0.03 -0.07 0.00 0.00 0.00 179.25 179.24 3aar h LEU 288 N 0.75 0.00 -6.05 0.00 3.38 -1.17 -3.37 115.31 108.85 3aar h LEU 288 Ca 0.30 -0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.69 3aar h LEU 288 Cb 0.14 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.49 3aar h LEU 288 CO -0.16 0.00 -0.86 0.59 0.09 0.00 0.00 178.44 178.10 3aar n ASN 289 N -3.08 2.01 -4.76 -0.43 4.13 -0.40 -5.10 115.26 107.64 3aar n ASN 289 Ca 0.04 -3.09 -0.41 0.00 1.68 0.00 0.00 54.58 52.79 3aar n ASN 289 Cb 0.53 -0.65 -0.00 0.00 -1.54 0.00 0.00 39.78 38.12 3aar n ASN 289 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 3aar n PRO 290 N 1.02 2.59 -3.33 3.52 -0.04 -1.08 -4.73 135.00 132.95 3aar n PRO 290 Ca 0.26 0.91 -0.38 0.00 -0.04 0.00 0.00 63.50 64.24 3aar n PRO 290 Cb 0.48 -2.62 -0.06 0.00 -0.04 0.00 0.00 33.50 31.26 3aar n PRO 290 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3aar s VAL 291 N -1.11 4.91 0.01 0.52 1.01 -1.26 -4.77 120.40 119.72 3aar s VAL 291 Ca 0.54 1.09 0.07 0.00 0.00 0.00 0.00 61.98 63.67 3aar s VAL 291 Cb -0.49 -3.84 -0.24 0.00 0.00 0.00 0.00 36.38 31.81 3aar s VAL 291 CO 0.64 0.50 0.86 0.78 0.00 0.00 0.00 175.10 177.88 3aar h ASN 292 N 5.10 0.11 -3.54 3.32 4.21 -0.35 -3.47 115.58 120.97 3aar h ASN 292 Ca -0.48 -0.17 -0.32 0.00 1.21 0.00 0.00 56.30 56.54 3aar h ASN 292 Cb 1.21 -0.03 -0.33 0.00 -1.12 0.00 0.00 38.32 38.04 3aar h ASN 292 CO 0.66 1.14 -0.74 -1.61 -1.29 0.00 0.00 177.43 175.59 3aar s GLU 293 N -2.63 0.17 -0.18 0.81 2.02 -0.47 -4.98 118.70 113.45 3aar s GLU 293 Ca -0.05 0.09 -0.08 0.00 0.02 0.00 0.00 54.97 54.96 3aar s GLU 293 Cb 0.08 -0.36 -0.04 0.00 0.10 0.00 0.00 34.13 33.91 3aar s GLU 293 CO 0.83 -0.12 0.08 -1.58 0.02 0.00 0.00 175.26 174.48 3aar s TRP 294 N 0.90 3.31 -0.06 1.61 0.52 -1.26 -1.03 118.94 122.93 3aar s TRP 294 Ca -0.08 0.17 0.05 0.00 0.02 0.00 0.00 56.10 56.26 3aar s TRP 294 Cb -0.12 -2.07 -0.01 0.00 -1.15 0.00 0.00 33.47 30.12 3aar s TRP 294 CO -0.02 0.25 -0.23 0.71 0.02 0.00 0.00 176.95 177.68 3aar s TYR 295 N 0.20 2.28 0.06 -1.98 2.02 -0.28 -0.95 117.35 118.70 3aar s TYR 295 Ca 0.06 -0.71 0.08 0.00 -0.37 0.00 0.00 57.07 56.12 3aar s TYR 295 Cb -0.12 -1.51 -0.03 0.00 -0.40 0.00 0.00 41.96 39.90 3aar s TYR 295 CO -0.00 -0.23 -0.20 -1.54 -1.57 0.00 0.00 175.55 172.01 3aar s SER 296 N -0.04 3.67 0.39 2.29 1.04 0.74 -1.14 113.70 120.65 3aar s SER 296 Ca -0.06 -0.50 0.04 0.00 0.48 0.00 0.00 55.95 55.91 3aar s SER 296 Cb -0.14 -0.52 -0.04 0.00 0.10 0.00 0.00 66.02 65.42 3aar s SER 296 CO 0.04 0.24 0.08 0.27 0.98 0.00 0.00 173.24 174.85 3aar s ILE 297 N -0.95 0.95 0.00 -1.02 -4.36 -0.07 -1.84 121.20 113.90 3aar s ILE 297 Ca 0.15 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.54 3aar s ILE 297 Cb -0.10 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.09 3aar s ILE 297 CO 0.05 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.84 3aar n GLY 298 N -0.88 -0.53 0.24 6.27 0.00 -1.26 -1.15 105.19 107.89 3aar n GLY 298 Ca -0.06 -1.58 0.04 0.00 0.00 0.00 0.00 46.02 44.41 3aar n GLY 298 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3aar h GLY 299 N 0.00 0.19 1.49 -0.02 0.00 -1.49 -2.02 103.07 101.21 3aar h GLY 299 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.24 3aar h GLY 299 CO 0.00 0.10 0.32 1.19 0.00 0.00 0.00 176.54 178.15 3aar h ILE 300 N 0.17 1.10 -0.33 2.60 2.10 -1.81 -0.71 117.51 120.64 3aar h ILE 300 Ca 0.04 -0.22 -0.05 0.00 1.08 0.00 0.00 64.86 65.71 3aar h ILE 300 Cb 0.28 0.42 -0.02 0.00 -1.09 0.00 0.00 36.82 36.41 3aar h ILE 300 CO 0.01 0.11 -0.02 0.28 -1.08 0.00 0.00 178.15 177.46 3aar h SER 301 N 0.63 0.49 -0.07 2.19 0.02 -1.65 0.48 113.55 115.64 3aar h SER 301 Ca 0.18 -0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 60.93 3aar h SER 301 Cb -0.02 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 62.40 3aar h SER 301 CO -0.04 0.57 -0.39 0.78 -1.14 0.00 0.00 176.83 176.61 3aar h ASN 302 N 0.49 0.45 -0.52 3.07 2.35 -1.27 -2.56 115.58 117.60 3aar h ASN 302 Ca 0.10 -0.67 -0.01 0.00 -0.55 0.00 0.00 56.30 55.18 3aar h ASN 302 Cb 0.36 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 3aar h ASN 302 CO 0.01 1.05 0.29 0.25 -1.65 0.00 0.00 177.43 177.38 3aar h LEU 303 N -0.11 0.64 -1.42 1.61 6.46 -1.03 -2.52 115.31 118.94 3aar h LEU 303 Ca -0.03 -0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 57.59 3aar h LEU 303 Cb 1.05 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 3aar h LEU 303 CO 0.08 0.55 -0.25 0.00 -0.62 0.00 0.00 178.44 178.20 3aar h ALA 304 N 1.12 1.21 -0.01 1.25 0.00 -0.95 -2.36 119.26 119.52 3aar h ALA 304 Ca 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3aar h ALA 304 Cb 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3aar h ALA 304 CO -0.03 0.31 -0.03 0.43 0.00 0.00 0.00 179.25 179.93 3aar n SER 305 N -3.69 1.42 -4.77 0.00 7.64 -0.97 -4.46 113.62 108.79 3aar n SER 305 Ca -0.01 -1.42 -0.30 0.00 1.01 0.00 0.00 58.87 58.14 3aar n SER 305 Cb 0.36 0.01 0.10 0.00 -1.01 0.00 0.00 64.21 63.67 3aar n SER 305 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3aar s SER 306 N -2.06 4.40 0.37 6.43 1.04 -0.89 -4.95 113.70 118.04 3aar s SER 306 Ca 0.37 1.61 0.15 0.00 0.48 0.00 0.00 55.95 58.56 3aar s SER 306 Cb 0.21 -2.34 0.71 0.00 0.10 0.00 0.00 66.02 64.70 3aar s SER 306 CO 0.36 -2.07 1.78 0.06 0.98 0.00 0.00 173.24 174.35 3aar h GLN 307 N -1.15 0.00 -0.10 4.02 3.07 -1.92 -3.24 115.11 115.79 3aar h GLN 307 Ca -0.46 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.22 3aar h GLN 307 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.81 3aar h GLN 307 CO 0.55 0.40 -0.18 1.25 0.09 0.00 0.00 178.83 180.93 3aar h LEU 308 N 0.00 0.33 -9.89 0.06 5.85 -1.92 -3.44 115.31 106.30 3aar h LEU 308 Ca -0.00 -0.55 -0.51 0.00 0.84 0.00 0.00 57.88 57.66 3aar h LEU 308 Cb 0.77 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 3aar h LEU 308 CO 0.05 0.82 0.13 -0.36 -0.34 0.00 0.00 178.44 178.74 3aar s PHE 309 N -4.03 3.60 -0.33 1.25 0.08 -1.22 -5.05 117.98 112.28 3aar s PHE 309 Ca -0.14 1.40 0.00 0.00 0.12 0.00 0.00 56.93 58.31 3aar s PHE 309 Cb 0.04 -2.64 0.08 0.00 -0.57 0.00 0.00 43.02 39.93 3aar s PHE 309 CO 0.75 0.28 0.04 -1.01 -0.10 0.00 0.00 175.22 175.17 3aar s HIS 310 N -1.62 3.48 0.03 0.36 3.76 -1.26 -4.64 115.29 115.40 3aar s HIS 310 Ca 0.46 -2.39 0.03 0.00 -0.15 0.00 0.00 55.06 53.01 3aar s HIS 310 Cb -0.16 -2.55 -0.02 0.00 1.11 0.00 0.00 32.58 30.96 3aar s HIS 310 CO 0.20 -0.90 -0.10 -0.06 -0.85 0.00 0.00 174.74 173.04 3aar s PHE 311 N 1.10 0.88 0.31 1.40 0.08 -1.26 -5.07 117.98 115.42 3aar s PHE 311 Ca 0.01 -0.34 0.09 0.00 0.12 0.00 0.00 56.93 56.82 3aar s PHE 311 Cb -0.20 -0.53 -0.05 0.00 -0.57 0.00 0.00 43.02 41.67 3aar s PHE 311 CO -0.04 -0.01 0.00 -1.21 -0.10 0.00 0.00 175.22 173.86 3aar s GLU 312 N -1.04 2.14 -2.03 0.44 8.01 -1.26 -4.76 118.70 120.20 3aar s GLU 312 Ca -0.02 -1.62 0.00 0.00 0.01 0.00 0.00 54.97 53.34 3aar s GLU 312 Cb -0.07 -2.02 0.00 0.00 -4.31 0.00 0.00 34.13 27.73 3aar s GLU 312 CO 0.01 0.22 0.00 0.09 0.01 0.00 0.00 175.26 175.59 3aar n ASN 313 N -0.93 -5.39 -4.04 -0.19 3.02 -1.26 -2.18 115.26 104.30 3aar n ASN 313 Ca -0.05 0.42 -0.29 0.00 -0.03 0.00 0.00 54.58 54.64 3aar n ASN 313 Cb 0.61 -4.59 -0.02 0.00 -0.61 0.00 0.00 39.78 35.17 3aar n ASN 313 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3aar n SER 314 N -1.23 -1.48 -3.94 6.41 2.88 -1.26 -4.93 113.62 110.08 3aar n SER 314 Ca -0.20 -1.00 -0.10 0.00 -1.33 0.00 0.00 58.87 56.25 3aar n SER 314 Cb 0.65 -3.00 -0.06 0.00 -0.75 0.00 0.00 64.21 61.04 3aar n SER 314 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 3aar s GLU 315 N -6.68 1.29 0.16 -1.46 -1.05 -0.93 -1.34 118.70 108.69 3aar s GLU 315 Ca 0.27 -1.15 -0.11 0.00 -0.15 0.00 0.00 54.97 53.82 3aar s GLU 315 Cb -0.14 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 3aar s GLU 315 CO 0.90 -0.50 0.32 -0.48 0.95 0.00 0.00 175.26 176.44 3aar s LEU 316 N -2.97 0.85 0.14 1.83 0.05 0.08 -4.13 118.68 114.53 3aar s LEU 316 Ca 0.18 -0.74 0.07 0.00 0.05 0.00 0.00 54.13 53.68 3aar s LEU 316 Cb 0.02 1.36 -0.04 0.00 -2.05 0.00 0.00 46.19 45.48 3aar s LEU 316 CO 0.02 -0.89 -0.04 0.42 -0.55 0.00 0.00 176.35 175.30 3aar s THR 317 N -3.93 3.59 0.26 5.48 -4.23 -1.26 -0.21 115.64 115.34 3aar s THR 317 Ca 0.13 -1.34 -0.03 0.00 -1.18 0.00 0.00 61.69 59.27 3aar s THR 317 Cb 0.03 -2.75 0.16 0.00 1.34 0.00 0.00 72.50 71.27 3aar s THR 317 CO -0.03 -0.01 1.81 0.78 -0.54 0.00 0.00 174.62 176.63 3aar h ASN 318 N 3.11 0.89 -0.36 3.99 4.21 -1.67 -1.23 115.58 124.52 3aar h ASN 318 Ca -0.48 -0.15 0.05 0.00 1.21 0.00 0.00 56.30 56.93 3aar h ASN 318 Cb 1.19 -0.23 -0.05 0.00 -1.12 0.00 0.00 38.32 38.11 3aar h ASN 318 CO 0.56 0.84 0.09 -0.61 -1.29 0.00 0.00 177.43 177.01 3aar h GLN 319 N 0.93 0.21 -0.49 0.81 -0.00 -1.34 -0.59 115.11 114.64 3aar h GLN 319 Ca 0.21 -0.01 -0.12 0.00 -0.00 0.00 0.00 58.65 58.73 3aar h GLN 319 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 3aar h GLN 319 CO -0.01 0.14 -0.15 1.03 0.00 0.00 0.00 178.83 179.83 3aar h SER 320 N 0.21 0.99 -0.10 -0.69 0.87 -1.76 -1.93 113.55 111.14 3aar h SER 320 Ca 0.17 -0.37 0.03 0.00 -1.23 0.00 0.00 61.79 60.38 3aar h SER 320 Cb 0.18 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3aar h SER 320 CO -0.21 1.14 -0.06 0.25 -0.53 0.00 0.00 176.83 177.42 3aar h LEU 321 N 0.83 -0.19 -0.50 2.23 5.85 -0.83 -0.25 115.31 122.46 3aar h LEU 321 Ca 0.12 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 3aar h LEU 321 Cb 0.72 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 3aar h LEU 321 CO 0.06 -0.08 0.16 0.25 -0.34 0.00 0.00 178.44 178.49 3aar h LEU 322 N -0.05 0.72 -0.26 2.25 5.85 -1.08 -0.95 115.31 121.79 3aar h LEU 322 Ca 0.06 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 3aar h LEU 322 Cb 0.14 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3aar h LEU 322 CO -0.14 0.73 0.14 -0.61 -0.34 0.00 0.00 178.44 178.23 3aar h GLN 323 N 0.67 0.36 -0.54 1.25 4.15 -1.15 0.79 115.11 120.65 3aar h GLN 323 Ca 0.16 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 3aar h GLN 323 Cb 0.26 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 3aar h GLN 323 CO -0.01 0.32 0.19 1.96 -1.93 0.00 0.00 178.83 179.36 3aar h GLN 324 N 0.31 0.82 -0.35 1.69 4.20 -0.98 -0.66 115.11 120.13 3aar h GLN 324 Ca 0.09 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3aar h GLN 324 Cb 0.06 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3aar h GLN 324 CO -0.02 0.74 0.20 0.78 -0.67 0.00 0.00 178.83 179.86 3aar h GLY 325 N 0.74 0.53 0.97 3.46 0.00 -0.99 0.45 103.07 108.23 3aar h GLY 325 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 3aar h GLY 325 CO -0.01 0.23 0.20 -1.80 0.00 0.00 0.00 176.54 175.16 3aar h ASP 326 N 0.45 0.44 0.14 0.19 3.58 -0.64 -0.85 116.42 119.74 3aar h ASP 326 Ca 0.13 -0.08 -0.26 0.00 0.42 0.00 0.00 57.03 57.24 3aar h ASP 326 Cb 0.05 -0.11 0.03 0.00 1.72 0.00 0.00 39.33 41.01 3aar h ASP 326 CO -0.02 0.39 -1.09 0.78 -2.88 0.00 0.00 179.24 176.42 3aar h ASN 327 N 0.46 0.71 0.94 2.28 2.35 -1.04 -1.18 115.58 120.10 3aar h ASN 327 Ca 0.13 -0.87 -0.01 0.00 -0.55 0.00 0.00 56.30 54.99 3aar h ASN 327 Cb 0.04 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 3aar h ASN 327 CO -0.02 1.52 -1.07 0.00 -1.65 0.00 0.00 177.43 176.22 3aar n GLN 328 N -3.93 0.61 0.07 0.81 1.13 0.14 -4.33 117.38 111.88 3aar n GLN 328 Ca -0.14 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 3aar n GLN 328 Cb 0.93 -1.82 0.00 0.00 0.11 0.00 0.00 30.24 29.46 3aar n GLN 328 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 3aar n ILE 329 N -2.68 0.97 -0.03 5.09 2.08 -0.70 -4.65 119.36 119.44 3aar n ILE 329 Ca -0.01 0.32 -0.08 0.00 0.56 0.00 0.00 62.75 63.54 3aar n ILE 329 Cb 0.57 -1.37 -0.02 0.00 -0.75 0.00 0.00 39.64 38.07 3aar n ILE 329 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3aar n HIS 331 N -5.27 1.30 -3.79 0.00 8.25 -0.45 -2.41 115.22 112.85 3aar n HIS 331 Ca -0.02 -0.49 -0.35 0.00 -0.26 0.00 0.00 57.72 56.60 3aar n HIS 331 Cb 0.19 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 30.97 3aar n HIS 331 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3aar s GLN 332 N -1.97 3.55 -0.02 -0.41 2.00 -0.70 -4.86 119.66 117.25 3aar s GLN 332 Ca 0.40 -0.09 -0.30 0.00 -2.00 0.00 0.00 55.36 53.37 3aar s GLN 332 Cb 0.27 -3.12 -0.05 0.00 0.80 0.00 0.00 33.01 30.91 3aar s GLN 332 CO 0.16 0.69 1.48 -1.14 -0.50 0.00 0.00 175.29 175.98 3aar s GLN 333 N -1.55 4.24 0.08 1.67 -0.44 -1.26 -1.52 119.66 120.88 3aar s GLN 333 Ca 0.24 2.04 -0.22 0.00 -2.50 0.00 0.00 55.36 54.92 3aar s GLN 333 Cb -0.13 -3.69 -0.12 0.00 -1.64 0.00 0.00 33.01 27.42 3aar s GLN 333 CO 0.13 -0.67 1.65 2.35 0.50 0.00 0.00 175.29 179.25 3aar h TRP 334 N 8.34 0.14 -0.91 1.67 2.91 -1.20 -2.08 115.95 124.81 3aar h TRP 334 Ca -0.38 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.64 3aar h TRP 334 Cb 1.17 -0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 29.74 3aar h TRP 334 CO 0.79 0.20 0.57 -0.44 -1.03 0.00 0.00 178.44 178.53 3aar h ASP 335 N 0.04 1.07 -0.20 2.65 3.32 -1.91 0.16 116.42 121.55 3aar h ASP 335 Ca 0.03 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3aar h ASP 335 Cb 0.11 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3aar h ASP 335 CO -0.00 0.80 0.06 0.40 -1.72 0.00 0.00 179.24 178.77 3aar h ILE 336 N 1.24 1.19 -0.14 0.35 2.04 -1.95 -2.21 117.51 118.04 3aar h ILE 336 Ca 0.33 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.59 3aar h ILE 336 Cb -0.09 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3aar h ILE 336 CO -0.07 0.19 0.06 0.25 0.00 0.00 0.00 178.15 178.59 3aar h LEU 337 N 0.14 0.09 -1.04 1.44 5.85 -0.70 -2.59 115.31 118.50 3aar h LEU 337 Ca 0.06 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.86 3aar h LEU 337 Cb 0.24 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 3aar h LEU 337 CO -0.00 0.07 0.64 -1.13 -0.34 0.00 0.00 178.44 177.68 3aar h ASN 338 N 0.14 1.01 -0.39 1.25 -1.24 -0.69 -0.98 115.58 114.67 3aar h ASN 338 Ca 0.06 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.08 3aar h ASN 338 Cb 0.02 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.85 3aar h ASN 338 CO -0.05 0.64 0.26 1.23 -1.29 0.00 0.00 177.43 178.22 3aar h GLY 339 N 1.14 0.54 1.68 1.57 0.00 -1.08 -2.84 103.07 104.08 3aar h GLY 339 Ca 0.43 -0.20 -0.23 0.00 0.00 0.00 0.00 47.33 47.33 3aar h GLY 339 CO -0.17 0.20 -1.21 1.46 0.00 0.00 0.00 176.54 176.81 3aar h GLN 340 N 0.52 0.00 -2.13 4.80 4.20 -0.83 -3.38 115.11 118.29 3aar h GLN 340 Ca 0.14 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.28 3aar h GLN 340 Cb -0.05 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.32 3aar h GLN 340 CO -0.03 0.83 -0.80 0.66 -0.67 0.00 0.00 178.83 178.82 3aar n TYR 341 N -3.25 2.26 0.71 2.96 4.01 -0.79 -4.94 117.16 118.12 3aar n TYR 341 Ca -0.05 -3.94 0.11 0.00 -0.16 0.00 0.00 57.90 53.87 3aar n TYR 341 Cb 0.97 -0.48 0.48 0.00 -0.31 0.00 0.00 39.34 40.00 3aar n TYR 341 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3aar n PRO 342 N 0.83 0.07 0.00 -0.72 -0.02 -1.08 -3.45 135.00 130.62 3aar n PRO 342 Ca 0.27 0.16 0.08 0.00 -2.02 0.00 0.00 63.50 62.00 3aar n PRO 342 Cb 0.46 -1.60 0.02 0.00 -0.02 0.00 0.00 33.50 32.36 3aar n PRO 342 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3aar n ASP 343 N -1.72 1.85 -4.46 2.55 8.00 -1.26 -4.86 116.55 116.65 3aar n ASP 343 Ca 0.05 -1.43 -0.44 0.00 0.71 0.00 0.00 54.79 53.69 3aar n ASP 343 Cb 0.29 0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 41.66 3aar n ASP 343 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3aar s ASP 344 N -1.75 6.23 0.14 -2.24 -1.08 -1.22 -4.92 116.67 111.84 3aar s ASP 344 Ca 0.15 -0.82 0.22 0.00 -0.52 0.00 0.00 52.55 51.58 3aar s ASP 344 Cb 0.13 -2.29 0.88 0.00 -1.46 0.00 0.00 42.92 40.18 3aar s ASP 344 CO 0.35 -0.86 1.67 -0.62 0.52 0.00 0.00 175.17 176.22 3aar n GLU 345 N 6.17 0.12 0.00 4.34 1.02 -1.26 -2.05 120.64 128.98 3aar n GLU 345 Ca -0.06 0.29 0.12 0.00 -0.02 0.00 0.00 57.16 57.49 3aar n GLU 345 Cb 0.46 -1.71 0.11 0.00 -0.02 0.00 0.00 31.44 30.28 3aar n GLU 345 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3aar n TYR 346 N -1.94 0.00 -0.23 -0.32 4.01 -1.26 -4.59 117.16 112.83 3aar n TYR 346 Ca 0.04 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.81 3aar n TYR 346 Cb 0.26 -0.01 0.15 0.00 -0.31 0.00 0.00 39.34 39.43 3aar n TYR 346 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3aar h LEU 347 N 3.09 0.07 -2.51 7.72 5.85 -1.78 0.48 115.31 128.22 3aar h LEU 347 Ca 0.00 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3aar h LEU 347 Cb 0.80 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 3aar h LEU 347 CO 0.00 0.01 -0.02 0.10 -0.34 0.00 0.00 178.44 178.20 3aar h TYR 348 N 0.30 0.00 -0.05 1.25 -0.00 -1.81 -1.66 116.97 115.00 3aar h TYR 348 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.11 3aar h TYR 348 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.32 3aar h TYR 348 CO -0.24 0.02 0.00 1.04 -0.00 0.00 0.00 178.16 178.98 3aar n GLN 349 N -3.27 1.99 0.23 0.10 6.02 0.16 -4.53 117.38 118.08 3aar n GLN 349 Ca -0.02 -1.45 0.10 0.00 -0.01 0.00 0.00 57.00 55.63 3aar n GLN 349 Cb 0.14 -1.47 0.50 0.00 1.02 0.00 0.00 30.24 30.43 3aar n GLN 349 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 3aar h TYR 350 N 3.45 0.00 -0.12 1.08 0.05 -1.26 0.13 116.97 120.31 3aar h TYR 350 Ca 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 3aar h TYR 350 Cb 0.74 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.47 3aar h TYR 350 CO 0.02 0.21 -0.06 0.00 -1.05 0.00 0.00 178.16 177.27 3aar h LEU 352 N -0.11 0.53 -0.10 0.00 5.85 -0.91 -2.43 115.31 118.14 3aar h LEU 352 Ca 0.03 -0.09 -0.21 0.00 0.84 0.00 0.00 57.88 58.45 3aar h LEU 352 Cb 0.53 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.44 3aar h LEU 352 CO 0.02 0.47 -0.75 -0.07 -0.34 0.00 0.00 178.44 177.76 3aar h LEU 353 N 0.56 0.84 -0.73 2.25 3.38 -0.81 0.77 115.31 121.57 3aar h LEU 353 Ca 0.15 -0.66 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 3aar h LEU 353 Cb 0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3aar h LEU 353 CO -0.02 1.37 0.39 0.77 0.09 0.00 0.00 178.44 181.04 3aar h SER 354 N 0.37 0.91 -0.58 -0.43 4.64 -1.43 -0.01 113.55 117.03 3aar h SER 354 Ca -0.06 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 3aar h SER 354 Cb 1.39 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 3aar h SER 354 CO 0.15 0.75 0.31 0.28 -0.87 0.00 0.00 176.83 177.46 3aar h SER 355 N 1.00 0.72 -0.35 4.97 0.02 -1.27 -2.57 113.55 116.08 3aar h SER 355 Ca 0.26 -0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 3aar h SER 355 Cb 0.05 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3aar h SER 355 CO -0.04 0.61 -0.03 0.22 -1.14 0.00 0.00 176.83 176.46 3aar h TYR 356 N 0.78 0.71 -0.68 3.45 3.20 -0.44 -0.12 116.97 123.86 3aar h TYR 356 Ca 0.20 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 3aar h TYR 356 Cb 0.05 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 3aar h TYR 356 CO -0.01 0.76 0.37 1.88 -1.64 0.00 0.00 178.16 179.52 3aar h TYR 357 N 0.45 0.94 -0.23 -3.82 0.05 -0.98 -0.27 116.97 113.11 3aar h TYR 357 Ca 0.10 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 3aar h TYR 357 Cb 0.50 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 3aar h TYR 357 CO 0.04 0.68 0.09 -0.92 -1.05 0.00 0.00 178.16 177.00 3aar h TYR 358 N 0.93 0.34 -0.76 4.88 3.20 -1.36 -0.88 116.97 123.33 3aar h TYR 358 Ca 0.24 -0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.17 3aar h TYR 358 Cb 0.05 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.15 3aar h TYR 358 CO -0.00 0.37 0.42 0.00 -1.64 0.00 0.00 178.16 177.30 3aar h ALA 359 N 0.94 1.07 0.28 1.82 0.00 -0.67 0.78 119.26 123.47 3aar h ALA 359 Ca 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3aar h ALA 359 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3aar h ALA 359 CO -0.01 0.04 -0.13 1.25 0.00 0.00 0.00 179.25 180.40 3aar h LEU 360 N 0.71 -0.32 -0.08 0.00 5.85 -0.78 0.85 115.31 121.54 3aar h LEU 360 Ca 0.37 -0.18 -0.16 0.00 0.84 0.00 0.00 57.88 58.75 3aar h LEU 360 Cb 0.34 0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.46 3aar h LEU 360 CO -0.25 0.03 -0.57 0.24 -0.34 0.00 0.00 178.44 177.55 3aar h MET 361 N -0.69 0.52 0.00 1.25 2.86 -1.04 0.85 114.93 118.68 3aar h MET 361 Ca -0.04 -0.46 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 3aar h MET 361 Cb 0.48 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3aar h MET 361 CO 0.06 1.09 -0.21 0.28 1.06 0.00 0.00 176.91 179.19 3aar h VAL 362 N 0.11 0.00 -0.02 -2.22 2.07 -0.96 -0.31 116.25 114.92 3aar h VAL 362 Ca -0.05 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.58 3aar h VAL 362 Cb 1.22 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3aar h VAL 362 CO 0.12 0.00 -0.52 0.44 0.02 0.00 0.00 177.57 177.63 3aar h ASP 363 N -0.78 0.06 0.00 0.57 3.45 -1.41 -2.12 116.42 116.19 3aar h ASP 363 Ca 0.00 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.43 3aar h ASP 363 Cb 0.21 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 38.96 3aar h ASP 363 CO 0.00 0.57 0.00 0.61 -1.57 0.00 0.00 179.24 178.85 3aar n GLY 364 N -0.01 0.29 0.25 2.75 0.00 0.23 -4.58 105.19 104.14 3aar n GLY 364 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 3aar n GLY 364 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3aar h TYR 365 N 0.00 0.00 0.00 1.61 0.05 -0.77 -3.20 116.97 114.66 3aar h TYR 365 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3aar h TYR 365 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3aar h TYR 365 CO 0.00 0.13 0.00 0.41 -1.05 0.00 0.00 178.16 177.65 3aar n GLY 366 N -0.12 0.64 3.75 3.88 0.00 -0.66 -4.17 105.19 108.51 3aar n GLY 366 Ca -0.00 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 3aar n GLY 366 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3aar s ILE 367 N -2.00 2.89 0.29 -0.61 1.01 -0.22 -4.96 121.20 117.61 3aar s ILE 367 Ca 0.00 0.80 -0.30 0.00 0.00 0.00 0.00 60.65 61.15 3aar s ILE 367 Cb 0.00 -3.51 -0.11 0.00 0.01 0.00 0.00 42.46 38.85 3aar s ILE 367 CO 0.00 0.15 1.56 0.21 0.00 0.00 0.00 174.94 176.86 3aar s ASN 368 N 0.01 6.42 0.64 3.58 3.84 -1.26 -4.28 114.94 123.87 3aar s ASN 368 Ca 0.54 2.91 0.34 0.00 0.21 0.00 0.00 52.86 56.86 3aar s ASN 368 Cb -0.39 -2.63 1.91 0.00 -0.55 0.00 0.00 41.25 39.58 3aar s ASN 368 CO 0.45 -0.88 2.14 -0.65 -2.79 0.00 0.00 177.10 175.38 3aar h PRO 369 N 4.81 0.00 -0.24 0.43 0.11 -1.96 -1.23 132.00 133.92 3aar h PRO 369 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3aar h PRO 369 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3aar h PRO 369 CO 0.79 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.85 3aar n ASN 370 N -3.32 2.87 -4.72 -2.05 0.23 -1.26 -0.84 115.26 106.16 3aar n ASN 370 Ca -0.01 -1.91 -0.42 0.00 -0.53 0.00 0.00 54.58 51.72 3aar n ASN 370 Cb 0.25 -0.15 -0.03 0.00 -2.08 0.00 0.00 39.78 37.77 3aar n ASN 370 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 3aar s GLN 371 N -1.71 4.48 0.10 -3.83 2.00 -0.47 -4.96 119.66 115.28 3aar s GLN 371 Ca 0.35 1.77 -0.31 0.00 -2.00 0.00 0.00 55.36 55.17 3aar s GLN 371 Cb 0.21 -3.31 -0.08 0.00 0.80 0.00 0.00 33.01 30.63 3aar s GLN 371 CO 0.30 -0.14 1.39 0.99 -0.50 0.00 0.00 175.29 177.33 3aar s THR 372 N 0.55 3.35 -0.24 -0.34 2.01 -1.26 -4.32 115.64 115.38 3aar s THR 372 Ca 0.55 0.95 -0.01 0.00 0.31 0.00 0.00 61.69 63.49 3aar s THR 372 Cb -0.30 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.63 3aar s THR 372 CO 0.32 0.07 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.61 3aar s ILE 373 N 1.25 2.73 0.49 1.82 -1.09 0.70 -4.46 121.20 122.65 3aar s ILE 373 Ca 0.65 -1.09 -0.19 0.00 -2.23 0.00 0.00 60.65 57.78 3aar s ILE 373 Cb -0.36 -2.40 -0.08 0.00 -1.58 0.00 0.00 42.46 38.04 3aar s ILE 373 CO 0.30 0.20 1.01 -1.00 -1.23 0.00 0.00 174.94 174.22 3aar s HIS 374 N 1.30 3.12 -0.01 3.97 3.76 -0.12 -0.74 115.29 126.56 3aar s HIS 374 Ca -0.01 1.56 0.04 0.00 -0.15 0.00 0.00 55.06 56.51 3aar s HIS 374 Cb -0.17 -2.98 -0.01 0.00 1.11 0.00 0.00 32.58 30.53 3aar s HIS 374 CO -0.05 -0.66 -0.13 1.52 -0.85 0.00 0.00 174.74 174.57 3aar s TYR 375 N -2.17 1.20 -0.05 1.40 -0.85 -0.45 -0.18 117.35 116.24 3aar s TYR 375 Ca 0.65 -0.23 -0.30 0.00 -0.52 0.00 0.00 57.07 56.66 3aar s TYR 375 Cb -0.14 -0.77 -0.03 0.00 0.38 0.00 0.00 41.96 41.40 3aar s TYR 375 CO 0.22 -0.02 1.17 0.42 -1.52 0.00 0.00 175.55 175.83 3aar s ILE 376 N -0.35 4.32 0.15 -3.49 -1.09 -0.77 -4.74 121.20 115.23 3aar s ILE 376 Ca 0.05 1.64 -0.34 0.00 -2.23 0.00 0.00 60.65 59.76 3aar s ILE 376 Cb -0.05 -4.05 -0.15 0.00 -1.58 0.00 0.00 42.46 36.62 3aar s ILE 376 CO -0.00 0.01 1.42 -2.65 -1.23 0.00 0.00 174.94 172.49 3aar n PRO 377 N 5.07 1.66 -0.29 2.79 -0.02 -1.26 -4.81 135.00 138.14 3aar n PRO 377 Ca 0.10 0.60 0.24 0.00 -2.02 0.00 0.00 63.50 62.43 3aar n PRO 377 Cb 0.47 -2.27 0.57 0.00 -0.02 0.00 0.00 33.50 32.24 3aar n PRO 377 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3aar h PRO 378 N 4.91 0.28 0.00 0.52 0.11 -1.93 -1.26 132.00 134.64 3aar h PRO 378 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3aar h PRO 378 Cb 1.30 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3aar h PRO 378 CO 0.81 0.19 0.00 -0.85 -0.21 0.00 0.00 178.00 177.94 3aar n GLU 379 N -4.49 0.03 0.00 1.05 0.00 -1.26 -2.39 120.64 113.58 3aar n GLU 379 Ca 0.23 0.19 0.14 0.00 0.00 0.00 0.00 57.16 57.72 3aar n GLU 379 Cb 0.90 -1.55 0.61 0.00 0.00 0.00 0.00 31.44 31.40 3aar n GLU 379 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3aar n GLN 380 N -1.60 0.21 -3.90 3.44 6.02 -0.47 -4.95 117.38 116.13 3aar n GLN 380 Ca 0.04 -0.04 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 3aar n GLN 380 Cb 0.24 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.99 3aar n GLN 380 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3aar n ASN 381 N -1.36 -0.82 -4.70 1.08 3.02 -1.01 -4.88 115.26 106.59 3aar n ASN 381 Ca 0.10 -0.99 -0.42 0.00 -0.03 0.00 0.00 54.58 53.24 3aar n ASN 381 Cb 0.31 -3.19 -0.03 0.00 -0.61 0.00 0.00 39.78 36.26 3aar n ASN 381 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3aar s LEU 382 N -6.89 4.36 -0.08 3.41 0.20 -1.26 -5.00 118.68 113.41 3aar s LEU 382 Ca 0.04 2.42 0.02 0.00 0.69 0.00 0.00 54.13 57.30 3aar s LEU 382 Cb -0.02 -3.58 0.02 0.00 -0.43 0.00 0.00 46.19 42.18 3aar s LEU 382 CO 0.88 -0.79 -0.11 -0.62 -0.29 0.00 0.00 176.35 175.42 3aar s ASP 383 N 1.69 1.85 0.61 3.68 -1.08 -1.26 -5.02 116.67 117.14 3aar s ASP 383 Ca 0.69 -0.30 0.31 0.00 -0.52 0.00 0.00 52.55 52.73 3aar s ASP 383 Cb -0.39 -0.83 1.73 0.00 -1.46 0.00 0.00 42.92 41.98 3aar s ASP 383 CO 0.31 -0.00 2.09 4.11 0.52 0.00 0.00 175.17 182.20 3aar h TRP 384 N 7.25 0.00 0.00 -5.34 5.08 -1.94 -2.43 115.95 118.57 3aar h TRP 384 Ca -0.31 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.65 3aar h TRP 384 Cb 1.17 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.33 3aar h TRP 384 CO 0.48 0.00 -0.06 1.79 -1.28 0.00 0.00 178.44 179.38 3aar h THR 385 N 0.00 0.47 0.00 0.12 1.35 -1.95 0.00 112.91 112.90 3aar h THR 385 Ca 0.07 -0.27 -0.01 0.00 -0.55 0.00 0.00 66.41 65.64 3aar h THR 385 Cb 0.50 1.18 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3aar h THR 385 CO -0.00 0.06 -0.07 -0.29 -0.25 0.00 0.00 175.52 174.97 3aar h ILE 386 N 0.00 0.85 -0.25 6.82 2.10 -1.79 -1.17 117.51 124.07 3aar h ILE 386 Ca -0.00 -0.26 -0.03 0.00 1.08 0.00 0.00 64.86 65.65 3aar h ILE 386 Cb 0.18 1.15 -0.01 0.00 -1.09 0.00 0.00 36.82 37.04 3aar h ILE 386 CO 0.01 0.07 0.02 1.23 -1.08 0.00 0.00 178.15 178.40 3aar h GLY 387 N 0.28 0.39 1.03 8.18 0.00 -1.16 -2.05 103.07 109.75 3aar h GLY 387 Ca -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 3aar h GLY 387 CO 0.01 0.19 0.30 -2.08 0.00 0.00 0.00 176.54 174.96 3aar h VAL 388 N 0.36 1.25 0.02 4.60 2.07 -1.30 -0.93 116.25 122.32 3aar h VAL 388 Ca 0.08 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 3aar h VAL 388 Cb 0.21 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3aar h VAL 388 CO 0.00 0.32 -0.01 0.58 0.02 0.00 0.00 177.57 178.48 3aar h VAL 389 N 1.07 0.99 -0.88 2.57 2.07 -1.29 0.14 116.25 120.93 3aar h VAL 389 Ca 0.25 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.75 3aar h VAL 389 Cb 0.21 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 3aar h VAL 389 CO -0.02 0.01 0.58 -0.07 0.02 0.00 0.00 177.57 178.08 3aar h LEU 390 N -0.05 1.01 0.03 2.57 3.38 -1.19 -1.65 115.31 119.42 3aar h LEU 390 Ca -0.00 -0.03 -0.31 0.00 0.09 0.00 0.00 57.88 57.62 3aar h LEU 390 Cb 0.04 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3aar h LEU 390 CO 0.01 0.73 -1.82 1.57 0.09 0.00 0.00 178.44 179.02 3aar n HIS 391 N -4.40 0.99 0.01 1.13 -0.00 -0.38 -4.65 115.22 107.93 3aar n HIS 391 Ca 0.10 0.32 0.01 0.00 0.46 0.00 0.00 57.72 58.60 3aar n HIS 391 Cb 0.02 -1.17 -0.01 0.00 -0.12 0.00 0.00 29.99 28.71 3aar n HIS 391 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3aar n ARG 392 N -3.13 0.96 0.00 1.57 5.12 0.49 -5.09 116.66 116.58 3aar n ARG 392 Ca -0.21 -0.01 0.03 0.00 -1.93 0.00 0.00 57.85 55.73 3aar n ARG 392 Cb 1.06 -0.97 0.19 0.00 -1.16 0.00 0.00 32.46 31.58 3aar n ARG 392 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70