#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1x s PHE 44 N 0.00 3.56 -0.03 0.00 0.08 -1.26 -4.99 117.98 115.35 2a1x s PHE 44 Ca 0.00 1.47 0.14 0.00 0.12 0.00 0.00 56.93 58.66 2a1x s PHE 44 Cb 0.00 -2.70 -0.21 0.00 -0.57 0.00 0.00 43.02 39.54 2a1x s PHE 44 CO 0.00 0.20 0.28 1.04 -0.10 0.00 0.00 175.22 176.64 2a1x n GLN 45 N 0.30 0.53 0.00 0.44 6.02 -1.26 -4.73 117.38 118.69 2a1x n GLN 45 Ca 0.01 -0.12 0.06 0.00 -0.01 0.00 0.00 57.00 56.95 2a1x n GLN 45 Cb 0.52 -1.33 -0.01 0.00 1.02 0.00 0.00 30.24 30.45 2a1x n GLN 45 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2a1x n TYR 46 N -2.02 0.00 -3.98 1.08 4.02 -1.26 -4.95 117.16 110.05 2a1x n TYR 46 Ca -0.04 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.77 2a1x n TYR 46 Cb 0.40 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.63 2a1x n TYR 46 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2a1x s THR 47 N -1.62 0.16 0.50 -0.72 -4.23 -1.26 -4.70 115.64 103.76 2a1x s THR 47 Ca 0.10 -1.35 0.06 0.00 -1.18 0.00 0.00 61.69 59.33 2a1x s THR 47 Cb 0.10 -1.12 0.06 0.00 1.34 0.00 0.00 72.50 72.89 2a1x s THR 47 CO 0.33 -0.74 0.53 0.18 -0.54 0.00 0.00 174.62 174.38 2a1x n LEU 48 N 0.50 0.00 -4.76 4.79 4.77 0.16 -4.83 117.00 117.63 2a1x n LEU 48 Ca -0.17 -2.38 -0.41 0.00 -0.03 0.00 0.00 56.01 53.02 2a1x n LEU 48 Cb 0.60 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 2a1x n LEU 48 CO 0.24 -0.62 0.92 1.51 -1.33 0.00 0.00 177.39 178.12 2a1x s ASP 49 N -4.02 6.95 0.24 -1.43 -4.77 -1.26 -4.96 116.67 107.42 2a1x s ASP 49 Ca 0.40 2.50 0.00 0.00 -3.30 0.00 0.00 52.55 52.16 2a1x s ASP 49 Cb -0.03 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.16 2a1x s ASP 49 CO 0.26 -0.41 0.00 -0.46 0.70 0.00 0.00 175.17 175.26 2a1x n ASN 50 N 1.28 -4.30 0.00 2.11 6.94 -1.26 -4.98 115.26 115.05 2a1x n ASN 50 Ca 0.01 0.51 0.00 0.00 -0.02 0.00 0.00 54.58 55.08 2a1x n ASN 50 Cb 0.43 -2.31 0.00 0.00 -2.36 0.00 0.00 39.78 35.54 2a1x n ASN 50 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2a1x n LEU 53 N -3.39 0.00 -4.06 -4.53 7.99 -1.26 -4.86 117.00 106.89 2a1x n LEU 53 Ca -0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.86 2a1x n LEU 53 Cb 0.33 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.53 2a1x n LEU 53 CO 0.01 0.00 -0.40 -0.89 -1.51 0.00 0.00 177.39 174.61 2a1x s THR 54 N -0.08 0.50 0.00 -5.08 2.01 -1.26 -5.13 115.64 106.60 2a1x s THR 54 Ca 0.00 -1.10 0.00 0.00 0.31 0.00 0.00 61.69 60.90 2a1x s THR 54 Cb 0.00 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.89 2a1x s THR 54 CO 0.00 -0.42 0.00 0.18 -0.69 0.00 0.00 174.62 173.69 2a1x n LEU 55 N 1.40 0.00 -0.41 4.42 4.32 -1.26 -4.92 117.00 120.55 2a1x n LEU 55 Ca -0.22 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.77 2a1x n LEU 55 Cb 0.55 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.36 2a1x n LEU 55 CO 0.21 0.00 0.32 -1.84 -1.22 0.00 0.00 177.39 174.86 2a1x n GLU 56 N 0.00 1.08 0.00 3.23 -0.00 -1.26 -2.29 120.64 121.40 2a1x n GLU 56 Ca 0.00 -0.07 0.11 0.00 -0.00 0.00 0.00 57.16 57.20 2a1x n GLU 56 Cb 0.00 -1.40 0.51 0.00 -0.00 0.00 0.00 31.44 30.56 2a1x n GLU 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2a1x n GLN 57 N -0.10 0.16 -0.01 3.44 10.64 -1.26 -2.33 117.38 127.91 2a1x n GLN 57 Ca 0.01 0.10 -0.13 0.00 -1.83 0.00 0.00 57.00 55.15 2a1x n GLN 57 Cb 0.21 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 27.99 2a1x n GLN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2a1x h ARG 58 N 0.00 -0.01 -0.91 2.61 3.08 -1.81 -2.28 114.38 115.06 2a1x h ARG 58 Ca 0.00 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.21 2a1x h ARG 58 Cb 0.29 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.27 2a1x h ARG 58 CO 0.00 0.51 0.58 0.87 -1.07 0.00 0.00 179.97 180.87 2a1x h LYS 59 N -0.53 0.61 0.41 0.04 1.79 -1.72 0.16 116.57 117.33 2a1x h LYS 59 Ca -0.00 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 2a1x h LYS 59 Cb 0.52 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2a1x h LYS 59 CO 0.00 0.41 -0.20 0.35 -1.08 0.00 0.00 179.45 178.93 2a1x h PHE 60 N 0.63 -0.51 -0.70 -1.35 3.57 -1.49 -1.98 116.94 115.11 2a1x h PHE 60 Ca 0.47 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 62.09 2a1x h PHE 60 Cb 0.85 0.17 -0.09 0.00 2.79 0.00 0.00 35.95 39.67 2a1x h PHE 60 CO -0.00 -0.21 0.24 -0.92 -2.23 0.00 0.00 178.31 175.19 2a1x h TYR 61 N -0.77 0.41 -0.53 0.41 3.20 -0.67 0.80 116.97 119.82 2a1x h TYR 61 Ca -0.06 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 2a1x h TYR 61 Cb 0.53 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 2a1x h TYR 61 CO -0.00 0.04 0.02 0.93 -1.64 0.00 0.00 178.16 177.51 2a1x h GLU 62 N 0.39 0.92 0.00 1.82 4.39 -0.67 0.90 114.58 122.32 2a1x h GLU 62 Ca 0.38 -0.28 -0.13 0.00 0.34 0.00 0.00 59.36 59.66 2a1x h GLU 62 Cb 0.56 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 2a1x h GLU 62 CO -0.40 0.93 -0.64 0.93 -1.16 0.00 0.00 179.01 178.68 2a1x h GLU 63 N 0.79 0.00 0.00 2.33 4.39 -1.04 -3.41 114.58 117.65 2a1x h GLU 63 Ca 0.15 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.71 2a1x h GLU 63 Cb 0.50 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 2a1x h GLU 63 CO 0.02 0.64 -1.53 0.09 -1.16 0.00 0.00 179.01 177.07 2a1x n ASN 64 N -3.51 3.22 0.00 1.42 3.02 0.25 -3.31 115.26 116.35 2a1x n ASN 64 Ca -0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 2a1x n ASN 64 Cb 0.70 0.22 0.00 0.00 -0.61 0.00 0.00 39.78 40.09 2a1x n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a1x n GLY 65 N 2.82 0.75 3.09 7.41 0.00 0.31 -1.24 105.19 118.33 2a1x n GLY 65 Ca -0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 2a1x n GLY 65 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2a1x s PHE 66 N -2.64 0.39 -0.13 1.61 -0.12 -1.26 -1.84 117.98 114.00 2a1x s PHE 66 Ca 0.00 -0.85 -0.07 0.00 -0.05 0.00 0.00 56.93 55.96 2a1x s PHE 66 Cb 0.00 -0.29 0.05 0.00 -0.63 0.00 0.00 43.02 42.15 2a1x s PHE 66 CO 0.00 -0.36 0.30 -1.17 -0.05 0.00 0.00 175.22 173.94 2a1x s LEU 67 N -2.55 0.31 -0.25 -1.99 2.96 0.69 -4.16 118.68 113.69 2a1x s LEU 67 Ca 0.01 0.65 -0.08 0.00 -0.22 0.00 0.00 54.13 54.49 2a1x s LEU 67 Cb 0.03 0.96 -0.03 0.00 0.50 0.00 0.00 46.19 47.65 2a1x s LEU 67 CO -0.08 -0.17 0.08 -0.69 -1.32 0.00 0.00 176.35 174.18 2a1x s VAL 68 N 1.18 4.45 -0.26 1.68 1.01 -1.26 -0.31 120.40 126.88 2a1x s VAL 68 Ca -0.08 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 2a1x s VAL 68 Cb -0.09 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2a1x s VAL 68 CO -0.09 0.33 0.13 -0.63 0.00 0.00 0.00 175.10 174.84 2a1x s ILE 69 N 1.58 4.78 0.47 2.22 -1.09 -0.22 -5.00 121.20 123.94 2a1x s ILE 69 Ca 0.06 -0.01 -0.22 0.00 -2.23 0.00 0.00 60.65 58.26 2a1x s ILE 69 Cb -0.15 -3.26 -0.08 0.00 -1.58 0.00 0.00 42.46 37.39 2a1x s ILE 69 CO 0.04 0.30 1.09 -1.59 -1.23 0.00 0.00 174.94 173.55 2a1x s LYS 70 N 1.68 3.78 -0.81 2.79 -2.85 -1.26 -1.97 119.74 121.10 2a1x s LYS 70 Ca 0.07 1.54 -0.18 0.00 -1.00 0.00 0.00 55.97 56.40 2a1x s LYS 70 Cb -0.16 -2.25 0.02 0.00 -2.06 0.00 0.00 37.83 33.39 2a1x s LYS 70 CO 0.07 -0.48 0.48 0.27 0.10 0.00 0.00 175.35 175.79 2a1x n ASN 71 N -0.73 -3.20 -0.03 0.03 2.04 -1.26 -4.86 115.26 107.26 2a1x n ASN 71 Ca 0.08 -0.90 -0.18 0.00 -0.44 0.00 0.00 54.58 53.15 2a1x n ASN 71 Cb 0.50 -1.17 -0.14 0.00 -2.53 0.00 0.00 39.78 36.45 2a1x n ASN 71 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 2a1x n LEU 72 N -3.38 2.21 -4.50 -4.53 0.00 -0.84 -4.84 117.00 101.12 2a1x n LEU 72 Ca -0.14 0.16 -0.35 0.00 0.00 0.00 0.00 56.01 55.68 2a1x n LEU 72 Cb 0.45 -0.74 -0.12 0.00 0.00 0.00 0.00 43.42 43.01 2a1x n LEU 72 CO 0.53 0.76 -0.29 -0.69 0.00 0.00 0.00 177.39 177.70 2a1x s VAL 73 N -2.55 4.34 0.31 1.96 1.01 -0.67 -4.89 120.40 119.91 2a1x s VAL 73 Ca -0.21 -0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 2a1x s VAL 73 Cb 0.07 -2.99 -0.14 0.00 0.00 0.00 0.00 36.38 33.33 2a1x s VAL 73 CO 0.75 0.40 0.96 -2.65 0.00 0.00 0.00 175.10 174.56 2a1x n PRO 74 N 4.33 1.26 -0.35 2.72 -0.02 -1.26 -4.46 135.00 137.23 2a1x n PRO 74 Ca -0.16 0.44 0.23 0.00 -2.02 0.00 0.00 63.50 61.99 2a1x n PRO 74 Cb 0.52 -1.82 0.48 0.00 -0.02 0.00 0.00 33.50 32.65 2a1x n PRO 74 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2a1x h ASP 75 N 1.82 0.52 -0.54 2.55 3.32 -1.98 -1.10 116.42 121.02 2a1x h ASP 75 Ca -0.40 0.15 0.04 0.00 0.02 0.00 0.00 57.03 56.84 2a1x h ASP 75 Cb 1.35 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.93 2a1x h ASP 75 CO 0.59 -0.03 0.30 0.00 -1.72 0.00 0.00 179.24 178.38 2a1x h ALA 76 N 1.74 0.69 -0.11 3.45 0.00 -2.00 -2.05 119.26 120.99 2a1x h ALA 76 Ca 0.69 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.43 2a1x h ALA 76 Cb 1.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2a1x h ALA 76 CO -0.49 -0.02 -0.67 -0.44 0.00 0.00 0.00 179.25 177.63 2a1x h ASP 77 N 0.58 0.51 -0.59 0.00 3.32 -1.57 -2.69 116.42 115.97 2a1x h ASP 77 Ca 0.23 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 2a1x h ASP 77 Cb 0.09 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2a1x h ASP 77 CO -0.13 1.03 0.24 0.40 -1.72 0.00 0.00 179.24 179.06 2a1x h ILE 78 N 0.31 1.22 -0.60 0.35 1.08 -1.18 -1.88 117.51 116.81 2a1x h ILE 78 Ca -0.02 -0.69 -0.06 0.00 -0.39 0.00 0.00 64.86 63.70 2a1x h ILE 78 Cb 1.23 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 35.53 2a1x h ILE 78 CO 0.12 0.27 0.14 -0.61 -0.69 0.00 0.00 178.15 177.38 2a1x h GLN 79 N 0.82 0.96 -0.75 2.37 5.75 -1.36 -0.72 115.11 122.17 2a1x h GLN 79 Ca 0.20 -0.23 0.07 0.00 -0.15 0.00 0.00 58.65 58.53 2a1x h GLN 79 Cb 0.19 -0.13 -0.06 0.00 1.07 0.00 0.00 27.48 28.55 2a1x h GLN 79 CO -0.02 0.88 0.43 0.00 -2.65 0.00 0.00 178.83 177.48 2a1x h ARG 80 N 0.87 0.76 -0.38 1.69 3.08 -1.24 0.27 114.38 119.43 2a1x h ARG 80 Ca 0.19 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 2a1x h ARG 80 Cb 0.35 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2a1x h ARG 80 CO 0.00 0.50 0.14 0.74 -1.07 0.00 0.00 179.97 180.28 2a1x h PHE 81 N 0.78 0.59 -0.06 3.04 0.04 -0.79 -2.21 116.94 118.33 2a1x h PHE 81 Ca 0.34 -0.05 0.04 0.00 2.80 0.00 0.00 57.97 61.10 2a1x h PHE 81 Cb 0.23 -0.17 -0.06 0.00 2.20 0.00 0.00 35.95 38.15 2a1x h PHE 81 CO -0.06 0.54 -0.30 0.00 -0.60 0.00 0.00 178.31 177.88 2a1x h ARG 82 N 0.47 -0.40 -0.45 1.51 3.08 -0.79 -1.53 114.38 116.27 2a1x h ARG 82 Ca 0.13 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.29 2a1x h ARG 82 Cb 0.21 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.28 2a1x h ARG 82 CO -0.01 -0.27 0.01 -0.91 -1.07 0.00 0.00 179.97 177.72 2a1x h ASN 83 N -0.42 -0.18 -0.48 7.04 2.35 -0.85 -1.75 115.58 121.30 2a1x h ASN 83 Ca 0.08 0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.85 2a1x h ASN 83 Cb 0.53 0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.07 2a1x h ASN 83 CO -0.30 -0.05 -0.04 -0.08 -1.65 0.00 0.00 177.43 175.31 2a1x h GLU 84 N 0.12 0.87 -0.22 0.81 4.57 -1.20 -2.36 114.58 117.18 2a1x h GLU 84 Ca 0.22 -0.30 0.05 0.00 -1.18 0.00 0.00 59.36 58.16 2a1x h GLU 84 Cb 0.33 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.79 2a1x h GLU 84 CO -0.37 0.93 -0.16 0.35 -1.18 0.00 0.00 179.01 178.59 2a1x h PHE 85 N 0.73 -0.39 -0.75 0.92 3.57 -0.99 -1.40 116.94 118.62 2a1x h PHE 85 Ca 0.13 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 2a1x h PHE 85 Cb 0.56 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 2a1x h PHE 85 CO 0.04 -0.23 0.40 0.93 -2.23 0.00 0.00 178.31 177.22 2a1x h GLU 86 N -0.15 1.04 -0.51 1.11 4.39 -1.22 0.31 114.58 119.55 2a1x h GLU 86 Ca 0.12 -0.12 0.03 0.00 0.34 0.00 0.00 59.36 59.74 2a1x h GLU 86 Cb 0.34 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 2a1x h GLU 86 CO -0.31 0.77 0.28 0.87 -1.16 0.00 0.00 179.01 179.47 2a1x h LYS 87 N 1.05 0.54 -0.33 2.33 1.57 -1.13 0.21 116.57 120.80 2a1x h LYS 87 Ca 0.26 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2a1x h LYS 87 Cb 0.04 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2a1x h LYS 87 CO -0.04 0.36 0.21 0.82 -0.57 0.00 0.00 179.45 180.23 2a1x h ILE 88 N 0.56 1.06 -0.78 1.86 2.04 -0.29 -1.59 117.51 120.36 2a1x h ILE 88 Ca 0.22 -0.15 0.15 0.00 1.00 0.00 0.00 64.86 66.08 2a1x h ILE 88 Cb 0.08 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 2a1x h ILE 88 CO -0.13 0.08 0.52 0.00 0.00 0.00 0.00 178.15 178.62 2a1x n ARG 90 N -4.49 1.76 -3.26 0.00 1.74 0.64 -4.93 116.66 108.14 2a1x n ARG 90 Ca 0.15 -1.19 -0.23 0.00 -0.77 0.00 0.00 57.85 55.81 2a1x n ARG 90 Cb 0.54 -1.26 0.01 0.00 -1.02 0.00 0.00 32.46 30.72 2a1x n ARG 90 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2a1x n LYS 91 N 0.46 -3.95 -0.03 5.56 -0.00 0.54 -4.85 118.16 115.89 2a1x n LYS 91 Ca 0.11 0.62 -0.17 0.00 -0.00 0.00 0.00 58.31 58.87 2a1x n LYS 91 Cb 0.28 -5.38 -0.14 0.00 -0.00 0.00 0.00 35.03 29.79 2a1x n LYS 91 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2a1x n GLU 92 N -3.85 0.71 -4.47 -1.58 1.02 -0.65 -4.84 120.64 106.98 2a1x n GLU 92 Ca -0.05 0.23 -0.34 0.00 -0.02 0.00 0.00 57.16 56.99 2a1x n GLU 92 Cb 0.57 -1.68 -0.13 0.00 -0.02 0.00 0.00 31.44 30.18 2a1x n GLU 92 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2a1x s VAL 93 N -2.55 3.54 -0.63 2.62 0.11 -1.20 -5.02 120.40 117.27 2a1x s VAL 93 Ca -0.20 -0.48 0.05 0.00 -2.93 0.00 0.00 61.98 58.42 2a1x s VAL 93 Cb 0.07 -2.54 0.16 0.00 -1.53 0.00 0.00 36.38 32.55 2a1x s VAL 93 CO 0.75 0.49 0.43 -0.54 -3.33 0.00 0.00 175.10 172.91 2a1x s LYS 94 N 0.50 2.14 0.94 1.54 3.01 -1.26 -4.30 119.74 122.31 2a1x s LYS 94 Ca -0.05 -3.03 -0.11 0.00 -1.01 0.00 0.00 55.97 51.77 2a1x s LYS 94 Cb -0.15 -3.08 0.12 0.00 -1.01 0.00 0.00 37.83 33.72 2a1x s LYS 94 CO 0.03 -1.27 0.93 -2.30 0.51 0.00 0.00 175.35 173.25 2a1x n PRO 95 N 2.30 -0.51 0.00 -1.68 -0.02 -1.26 -4.96 135.00 128.86 2a1x n PRO 95 Ca 0.19 -0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2a1x n PRO 95 Cb 0.36 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2a1x n PRO 95 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2a1x n LEU 96 N -3.46 0.02 -2.03 2.45 7.94 -1.26 -3.76 117.00 116.89 2a1x n LEU 96 Ca 0.10 0.87 -0.08 0.00 -1.11 0.00 0.00 56.01 55.79 2a1x n LEU 96 Cb 0.53 -0.48 0.30 0.00 0.53 0.00 0.00 43.42 44.29 2a1x n LEU 96 CO 0.50 -0.48 1.07 0.61 -1.11 0.00 0.00 177.39 177.97 2a1x n GLY 97 N -0.27 3.75 3.75 -3.96 0.00 -1.26 -5.01 105.19 102.19 2a1x n GLY 97 Ca 0.00 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 2a1x n GLY 97 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2a1x s LEU 98 N -3.03 4.49 -0.14 0.99 2.96 -1.24 -4.84 118.68 117.86 2a1x s LEU 98 Ca 0.56 2.34 -0.06 0.00 -0.22 0.00 0.00 54.13 56.75 2a1x s LEU 98 Cb 0.45 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.47 2a1x s LEU 98 CO 0.13 -0.31 0.08 -0.89 -1.32 0.00 0.00 176.35 174.03 2a1x s THR 99 N -0.71 4.93 -0.09 3.68 2.01 0.06 -4.99 115.64 120.54 2a1x s THR 99 Ca 0.49 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.52 2a1x s THR 99 Cb -0.34 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.01 2a1x s THR 99 CO 0.42 0.54 -0.19 -0.69 -0.69 0.00 0.00 174.62 174.01 2a1x s VAL 100 N -0.36 1.64 -0.20 3.82 1.01 -1.26 -1.34 120.40 123.71 2a1x s VAL 100 Ca 0.09 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 2a1x s VAL 100 Cb -0.12 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2a1x s VAL 100 CO 0.02 0.47 0.07 -0.04 0.00 0.00 0.00 175.10 175.62 2a1x s MET 101 N 0.53 3.92 -0.65 2.72 -1.94 -0.14 -5.03 119.30 118.71 2a1x s MET 101 Ca -0.16 -0.37 0.06 0.00 -1.71 0.00 0.00 55.69 53.51 2a1x s MET 101 Cb -0.17 -3.26 0.23 0.00 2.01 0.00 0.00 34.83 33.64 2a1x s MET 101 CO 0.06 0.16 0.67 0.54 -0.01 0.00 0.00 175.02 176.44 2a1x n ARG 102 N 3.87 2.28 -0.11 2.03 1.74 -1.26 -0.99 116.66 124.22 2a1x n ARG 102 Ca -0.16 -4.58 0.04 0.00 -0.77 0.00 0.00 57.85 52.38 2a1x n ARG 102 Cb 0.52 -2.23 0.11 0.00 -1.02 0.00 0.00 32.46 29.83 2a1x n ARG 102 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2a1x n ASP 103 N 1.17 1.20 -3.80 0.55 10.43 -1.25 -4.72 116.55 120.13 2a1x n ASP 103 Ca 0.27 -1.99 -0.13 0.00 2.57 0.00 0.00 54.79 55.51 2a1x n ASP 103 Cb 0.40 -0.15 -0.13 0.00 1.84 0.00 0.00 41.12 43.08 2a1x n ASP 103 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 2a1x s VAL 104 N -1.70 -0.02 0.24 2.53 -7.23 -1.26 -5.08 120.40 107.88 2a1x s VAL 104 Ca 0.15 0.06 0.10 0.00 -1.81 0.00 0.00 61.98 60.48 2a1x s VAL 104 Cb 0.08 -0.22 -0.05 0.00 0.56 0.00 0.00 36.38 36.75 2a1x s VAL 104 CO 0.11 0.03 -0.17 0.42 -0.31 0.00 0.00 175.10 175.17 2a1x s THR 105 N 0.47 2.10 -0.02 5.32 -4.23 -1.26 -1.18 115.64 116.83 2a1x s THR 105 Ca -0.03 -2.28 -0.02 0.00 -1.18 0.00 0.00 61.69 58.18 2a1x s THR 105 Cb -0.05 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.65 2a1x s THR 105 CO -0.02 -0.48 0.06 -0.51 -0.54 0.00 0.00 174.62 173.13 2a1x s ILE 106 N -2.67 0.02 0.04 2.99 -1.16 -1.06 -4.96 121.20 114.40 2a1x s ILE 106 Ca 0.25 -0.14 -0.06 0.00 -0.51 0.00 0.00 60.65 60.20 2a1x s ILE 106 Cb -0.03 -0.13 -0.01 0.00 0.61 0.00 0.00 42.46 42.90 2a1x s ILE 106 CO 0.11 -0.07 0.10 -0.94 -2.81 0.00 0.00 174.94 171.33 2a1x s SER 107 N -0.21 0.17 0.00 4.50 1.04 -1.26 -2.15 113.70 115.78 2a1x s SER 107 Ca -0.03 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2a1x s SER 107 Cb -0.02 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2a1x s SER 107 CO 0.00 -0.51 0.00 0.29 0.98 0.00 0.00 173.24 174.00 2a1x n LYS 108 N 0.75 0.84 -1.51 4.02 5.02 -1.26 -5.12 118.16 120.91 2a1x n LYS 108 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 2a1x n LYS 108 Cb 0.59 -0.07 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 2a1x n LYS 108 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2a1x n SER 114 N 0.00 1.18 -3.68 4.39 2.88 -1.26 -5.38 113.62 111.75 2a1x n SER 114 Ca 0.00 -0.76 -0.10 0.00 -1.33 0.00 0.00 58.87 56.69 2a1x n SER 114 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2a1x n SER 114 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2a1x s GLU 115 N -1.27 0.38 0.13 -1.46 2.56 -0.92 -4.98 118.70 113.15 2a1x s GLU 115 Ca 0.00 0.88 -0.19 0.00 0.00 0.00 0.00 54.97 55.67 2a1x s GLU 115 Cb 0.00 0.09 -0.07 0.00 2.00 0.00 0.00 34.13 36.15 2a1x s GLU 115 CO 0.00 -0.19 0.61 -1.59 -0.56 0.00 0.00 175.26 173.54 2a1x s LYS 116 N 1.80 4.19 -0.03 4.30 -2.85 -1.26 -2.56 119.74 123.33 2a1x s LYS 116 Ca -0.07 0.74 0.03 0.00 -1.00 0.00 0.00 55.97 55.67 2a1x s LYS 116 Cb -0.09 -3.10 -0.03 0.00 -2.06 0.00 0.00 37.83 32.55 2a1x s LYS 116 CO -0.13 0.55 -0.09 -1.64 0.10 0.00 0.00 175.35 174.14 2a1x s MET 117 N -1.48 2.56 0.05 1.78 1.00 -0.33 -5.01 119.30 117.87 2a1x s MET 117 Ca 0.34 -0.69 -0.31 0.00 0.00 0.00 0.00 55.69 55.04 2a1x s MET 117 Cb -0.18 -2.47 -0.06 0.00 0.00 0.00 0.00 34.83 32.11 2a1x s MET 117 CO 0.20 0.62 1.31 0.42 0.00 0.00 0.00 175.02 177.57 2a1x s ILE 118 N -0.88 3.75 -0.08 2.53 1.01 -1.26 -3.92 121.20 122.35 2a1x s ILE 118 Ca 0.14 1.21 0.04 0.00 0.00 0.00 0.00 60.65 62.05 2a1x s ILE 118 Cb -0.11 -3.78 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 2a1x s ILE 118 CO 0.04 0.06 0.13 0.35 0.00 0.00 0.00 174.94 175.52 2a1x n THR 119 N 4.20 0.00 -3.55 2.92 -2.24 -0.17 -4.82 114.28 110.63 2a1x n THR 119 Ca 0.11 -0.21 -0.16 0.00 -2.27 0.00 0.00 64.05 61.52 2a1x n THR 119 Cb 0.44 0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 69.24 2a1x n THR 119 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2a1x s LYS 120 N -1.97 0.91 -0.05 -0.78 2.20 -1.21 0.30 119.74 119.15 2a1x s LYS 120 Ca -0.00 0.34 0.04 0.00 -0.36 0.00 0.00 55.97 55.99 2a1x s LYS 120 Cb 0.03 0.43 -0.00 0.00 -1.51 0.00 0.00 37.83 36.78 2a1x s LYS 120 CO 0.18 -0.26 -0.16 0.14 -0.36 0.00 0.00 175.35 174.89 2a1x s VAL 121 N -0.91 1.35 0.17 4.02 -7.23 -0.52 -0.97 120.40 116.31 2a1x s VAL 121 Ca -0.07 -0.66 0.09 0.00 -1.81 0.00 0.00 61.98 59.52 2a1x s VAL 121 Cb -0.01 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.72 2a1x s VAL 121 CO 0.06 0.39 -0.19 -1.10 -0.31 0.00 0.00 175.10 173.96 2a1x s GLN 122 N 0.13 1.31 -0.88 4.82 -0.21 -0.45 -0.77 119.66 123.61 2a1x s GLN 122 Ca -0.05 -1.43 -0.04 0.00 0.02 0.00 0.00 55.36 53.86 2a1x s GLN 122 Cb -0.12 -1.40 -0.05 0.00 1.00 0.00 0.00 33.01 32.45 2a1x s GLN 122 CO 0.02 0.29 0.76 -0.25 -2.12 0.00 0.00 175.29 173.99 2a1x n ASP 123 N 0.27 -5.04 -1.82 5.90 8.00 -0.67 -0.76 116.55 122.43 2a1x n ASP 123 Ca -0.13 -0.56 0.07 0.00 0.71 0.00 0.00 54.79 54.88 2a1x n ASP 123 Cb 0.57 -4.31 0.40 0.00 -0.02 0.00 0.00 41.12 37.75 2a1x n ASP 123 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 2a1x n PHE 124 N -3.03 1.99 0.31 1.24 1.16 -1.26 -3.73 117.46 114.14 2a1x n PHE 124 Ca -0.09 -0.73 0.18 0.00 -1.87 0.00 0.00 57.45 54.94 2a1x n PHE 124 Cb 0.61 -0.49 1.04 0.00 -1.61 0.00 0.00 39.48 39.03 2a1x n PHE 124 CO 0.00 0.00 0.00 -0.56 -1.87 0.00 0.00 176.76 174.33 2a1x h GLN 125 N 3.88 0.00 -0.49 3.97 -0.00 -1.94 -0.39 115.11 120.14 2a1x h GLN 125 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2a1x h GLN 125 Cb 1.92 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.40 2a1x h GLN 125 CO 0.46 0.01 0.00 -1.91 -0.00 0.00 0.00 178.83 177.39 2a1x n GLU 126 N -3.49 2.37 -3.71 0.06 4.07 -1.26 -4.81 120.64 113.86 2a1x n GLU 126 Ca -0.03 -2.11 -0.37 0.00 -0.06 0.00 0.00 57.16 54.60 2a1x n GLU 126 Cb 0.09 -1.48 -0.11 0.00 -0.06 0.00 0.00 31.44 29.88 2a1x n GLU 126 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2a1x s ASP 127 N -1.23 5.78 0.13 4.31 2.15 -0.16 -4.54 116.67 123.12 2a1x s ASP 127 Ca 0.39 -0.01 -0.13 0.00 0.43 0.00 0.00 52.55 53.24 2a1x s ASP 127 Cb 0.21 -2.05 -0.01 0.00 -0.30 0.00 0.00 42.92 40.78 2a1x s ASP 127 CO 0.29 0.02 1.55 0.07 -0.17 0.00 0.00 175.17 176.93 2a1x h LYS 128 N 7.85 0.82 0.09 4.34 2.10 -1.87 -0.33 116.57 129.56 2a1x h LYS 128 Ca -0.37 -0.30 -0.29 0.00 -2.00 0.00 0.00 60.65 57.69 2a1x h LYS 128 Cb 1.18 -0.05 0.03 0.00 -0.90 0.00 0.00 32.23 32.48 2a1x h LYS 128 CO 0.61 0.92 -1.19 0.93 -2.00 0.00 0.00 179.45 178.72 2a1x h GLU 129 N 0.65 0.63 -0.48 0.07 4.39 -1.96 -2.84 114.58 115.05 2a1x h GLU 129 Ca 0.11 -0.80 -0.08 0.00 0.34 0.00 0.00 59.36 58.94 2a1x h GLU 129 Cb 0.61 0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 2a1x h GLU 129 CO 0.04 1.36 0.00 -0.07 -1.16 0.00 0.00 179.01 179.18 2a1x h LEU 130 N 0.30 0.83 -0.91 1.33 4.07 -1.87 -3.07 115.31 115.99 2a1x h LEU 130 Ca -0.17 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.49 2a1x h LEU 130 Cb 1.85 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 43.37 2a1x h LEU 130 CO 0.23 0.93 0.00 0.15 -1.08 0.00 0.00 178.44 178.67 2a1x h PHE 131 N 0.70 0.00 0.00 1.13 3.57 -1.06 -2.21 116.94 119.07 2a1x h PHE 131 Ca 0.14 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2a1x h PHE 131 Cb 0.50 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 2a1x h PHE 131 CO 0.04 0.00 -0.04 0.00 -2.23 0.00 0.00 178.31 176.07 2a1x h ARG 132 N 0.00 0.00 -0.73 1.11 3.08 -1.40 -1.75 114.38 114.69 2a1x h ARG 132 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 2a1x h ARG 132 Cb 0.37 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 2a1x h ARG 132 CO 0.00 0.04 0.44 -0.92 -1.07 0.00 0.00 179.97 178.46 2a1x h TYR 133 N 0.00 0.81 0.00 3.04 5.03 -1.57 -0.82 116.97 123.46 2a1x h TYR 133 Ca -0.00 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.24 2a1x h TYR 133 Cb 0.15 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.16 2a1x h TYR 133 CO 0.00 0.42 -0.47 0.00 -1.32 0.00 0.00 178.16 176.79 2a1x n THR 135 N -3.96 0.00 -2.36 0.00 -2.24 -0.90 -4.89 114.28 99.93 2a1x n THR 135 Ca -0.02 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 2a1x n THR 135 Cb 0.49 1.28 -0.03 0.00 -2.10 0.00 0.00 70.33 69.98 2a1x n THR 135 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2a1x s LEU 136 N -2.06 4.26 0.53 3.22 2.96 -0.36 -4.89 118.68 122.34 2a1x s LEU 136 Ca 0.29 1.88 0.24 0.00 -0.22 0.00 0.00 54.13 56.32 2a1x s LEU 136 Cb 0.20 -3.55 1.48 0.00 0.50 0.00 0.00 46.19 44.82 2a1x s LEU 136 CO 0.34 -0.70 2.13 1.55 -1.32 0.00 0.00 176.35 178.35 2a1x h PRO 137 N 7.95 0.00 -0.54 0.98 0.13 -1.92 -1.36 132.00 137.24 2a1x h PRO 137 Ca -0.33 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.71 2a1x h PRO 137 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2a1x h PRO 137 CO 0.92 0.08 -0.04 0.93 -0.23 0.00 0.00 178.00 179.65 2a1x h GLU 138 N 0.00 0.96 -0.42 0.86 3.07 -1.91 -2.17 114.58 114.96 2a1x h GLU 138 Ca -0.00 -0.31 -0.12 0.00 -0.50 0.00 0.00 59.36 58.44 2a1x h GLU 138 Cb 0.17 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 2a1x h GLU 138 CO 0.01 0.97 -0.21 0.82 -1.40 0.00 0.00 179.01 179.20 2a1x h ILE 139 N 0.87 1.27 0.16 3.13 1.08 -1.60 -3.35 117.51 119.06 2a1x h ILE 139 Ca 0.15 -1.33 -0.29 0.00 -0.39 0.00 0.00 64.86 63.00 2a1x h ILE 139 Cb 0.57 1.16 0.01 0.00 -3.07 0.00 0.00 36.82 35.50 2a1x h ILE 139 CO 0.03 0.45 -1.32 -0.07 -0.69 0.00 0.00 178.15 176.56 2a1x h LEU 140 N 0.73 0.53 -1.95 1.44 3.38 -1.18 -1.45 115.31 116.80 2a1x h LEU 140 Ca 0.10 -0.57 0.24 0.00 0.09 0.00 0.00 57.88 57.74 2a1x h LEU 140 Cb 0.73 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2a1x h LEU 140 CO 0.06 1.45 0.65 0.11 0.09 0.00 0.00 178.44 180.80 2a1x h LYS 141 N 0.09 0.00 0.05 1.13 1.79 -1.53 -0.92 116.57 117.18 2a1x h LYS 141 Ca -0.17 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 57.94 2a1x h LYS 141 Cb 2.02 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.63 2a1x h LYS 141 CO 0.22 0.00 -2.10 0.66 -1.08 0.00 0.00 179.45 177.15 2a1x n TYR 142 N -4.08 0.70 -0.30 -1.35 4.02 -1.16 -4.32 117.16 110.67 2a1x n TYR 142 Ca 0.17 0.18 0.05 0.00 -0.01 0.00 0.00 57.90 58.29 2a1x n TYR 142 Cb 0.95 -1.09 0.20 0.00 -0.02 0.00 0.00 39.34 39.38 2a1x n TYR 142 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2a1x h VAL 143 N -0.24 0.85 -0.49 -0.72 2.07 -0.62 -0.90 116.25 116.21 2a1x h VAL 143 Ca -0.49 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 66.86 2a1x h VAL 143 Cb 1.84 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2a1x h VAL 143 CO -0.07 0.14 0.33 -0.08 0.02 0.00 0.00 177.57 177.91 2a1x h GLU 144 N 0.76 0.24 -0.27 1.57 4.81 -1.39 -0.62 114.58 119.68 2a1x h GLU 144 Ca 0.43 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.72 2a1x h GLU 144 Cb 0.48 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2a1x h GLU 144 CO -0.29 0.16 0.21 0.00 -0.73 0.00 0.00 179.01 178.36 2a1x n PHE 146 N -4.27 0.16 -0.03 0.00 3.01 -0.36 0.36 117.46 116.32 2a1x n PHE 146 Ca 0.03 0.03 -0.11 0.00 1.01 0.00 0.00 57.45 58.42 2a1x n PHE 146 Cb 0.36 -1.02 -0.14 0.00 -0.01 0.00 0.00 39.48 38.67 2a1x n PHE 146 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2a1x n THR 147 N -3.31 1.61 0.00 4.37 -2.24 -0.50 -4.45 114.28 109.76 2a1x n THR 147 Ca -0.44 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.56 2a1x n THR 147 Cb 0.99 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 2a1x n THR 147 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a1x n GLY 148 N 1.66 0.16 0.05 3.38 0.00 0.31 -4.47 105.19 106.27 2a1x n GLY 148 Ca -0.21 -2.01 0.11 0.00 0.00 0.00 0.00 46.02 43.91 2a1x n GLY 148 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2a1x n PRO 149 N -0.07 0.09 -3.49 1.61 -0.04 -1.26 -4.46 135.00 127.38 2a1x n PRO 149 Ca 0.00 0.21 -0.42 0.00 -0.04 0.00 0.00 63.50 63.25 2a1x n PRO 149 Cb 0.00 -1.64 -0.10 0.00 -0.04 0.00 0.00 33.50 31.72 2a1x n PRO 149 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2a1x s ASN 150 N -3.57 6.03 -0.09 3.54 0.01 -1.26 -3.31 114.94 116.29 2a1x s ASN 150 Ca 0.09 -0.91 0.03 0.00 -0.71 0.00 0.00 52.86 51.36 2a1x s ASN 150 Cb 0.13 -2.13 0.01 0.00 0.41 0.00 0.00 41.25 39.66 2a1x s ASN 150 CO 0.43 -0.43 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.76 2a1x s ILE 151 N 1.65 1.75 -0.15 0.60 1.01 0.15 -2.16 121.20 124.06 2a1x s ILE 151 Ca 0.04 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.84 2a1x s ILE 151 Cb -0.19 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 2a1x s ILE 151 CO 0.09 0.49 -0.08 -0.04 0.00 0.00 0.00 174.94 175.41 2a1x s MET 152 N 0.51 3.55 -0.46 2.79 -1.94 -0.34 -1.15 119.30 122.26 2a1x s MET 152 Ca -0.16 -0.59 -0.24 0.00 -1.71 0.00 0.00 55.69 52.99 2a1x s MET 152 Cb -0.17 -2.80 0.03 0.00 2.01 0.00 0.00 34.83 33.90 2a1x s MET 152 CO 0.06 0.22 0.86 0.00 -0.01 0.00 0.00 175.02 176.15 2a1x s ALA 153 N 0.37 3.26 -0.25 3.03 0.00 -0.48 -1.11 121.76 126.58 2a1x s ALA 153 Ca -0.07 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 2a1x s ALA 153 Cb -0.15 -3.56 -0.16 0.00 0.00 0.00 0.00 23.12 19.25 2a1x s ALA 153 CO 0.04 -1.99 -0.21 -1.33 0.00 0.00 0.00 175.76 172.26 2a1x n MET 154 N 6.95 0.64 -4.15 0.00 2.81 0.08 -2.95 117.12 120.50 2a1x n MET 154 Ca 0.04 0.21 -0.20 0.00 -1.81 0.00 0.00 57.70 55.93 2a1x n MET 154 Cb 0.48 -1.53 -0.16 0.00 -0.71 0.00 0.00 33.22 31.30 2a1x n MET 154 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 2a1x s HIS 155 N -2.51 0.78 -0.11 2.03 5.65 -1.04 -4.66 115.29 115.43 2a1x s HIS 155 Ca -0.35 -0.22 0.01 0.00 0.25 0.00 0.00 55.06 54.75 2a1x s HIS 155 Cb 0.11 -0.69 -0.01 0.00 -1.18 0.00 0.00 32.58 30.80 2a1x s HIS 155 CO 0.58 -0.21 -0.16 0.95 -0.65 0.00 0.00 174.74 175.25 2a1x s THR 156 N 0.98 2.78 0.01 0.89 -4.23 -1.26 -0.82 115.64 113.98 2a1x s THR 156 Ca -0.10 -0.77 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 2a1x s THR 156 Cb -0.14 -2.14 -0.01 0.00 1.34 0.00 0.00 72.50 71.55 2a1x s THR 156 CO -0.00 0.54 -0.04 -0.04 -0.54 0.00 0.00 174.62 174.54 2a1x s MET 157 N 0.23 0.30 -0.16 3.99 -1.94 0.70 -1.67 119.30 120.75 2a1x s MET 157 Ca -0.10 -0.28 0.01 0.00 -1.71 0.00 0.00 55.69 53.60 2a1x s MET 157 Cb -0.16 -0.20 0.01 0.00 2.01 0.00 0.00 34.83 36.49 2a1x s MET 157 CO 0.06 0.05 -0.18 -1.17 -0.01 0.00 0.00 175.02 173.76 2a1x s LEU 158 N -0.51 2.28 -0.19 -0.03 0.20 0.05 0.16 118.68 120.64 2a1x s LEU 158 Ca -0.03 -0.56 -0.04 0.00 0.69 0.00 0.00 54.13 54.19 2a1x s LEU 158 Cb -0.04 -1.51 -0.02 0.00 -0.43 0.00 0.00 46.19 44.19 2a1x s LEU 158 CO -0.00 0.06 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.46 2a1x s ILE 159 N 0.94 3.76 -0.66 6.68 1.01 0.15 -1.43 121.20 131.64 2a1x s ILE 159 Ca -0.04 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.28 2a1x s ILE 159 Cb -0.15 -2.68 0.22 0.00 0.01 0.00 0.00 42.46 39.86 2a1x s ILE 159 CO -0.03 0.45 0.65 -3.20 0.00 0.00 0.00 174.94 172.81 2a1x n ASN 160 N 4.08 3.46 -4.67 3.58 5.15 0.15 -1.34 115.26 125.66 2a1x n ASN 160 Ca -0.17 -3.35 -0.42 0.00 -0.60 0.00 0.00 54.58 50.03 2a1x n ASN 160 Cb 0.52 -0.70 -0.03 0.00 -0.53 0.00 0.00 39.78 39.04 2a1x n ASN 160 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2a1x s LYS 161 N -2.09 4.23 0.79 1.20 2.20 0.14 -4.44 119.74 121.78 2a1x s LYS 161 Ca 0.34 1.93 -0.12 0.00 -0.36 0.00 0.00 55.97 57.76 2a1x s LYS 161 Cb 0.08 -3.80 0.07 0.00 -1.51 0.00 0.00 37.83 32.67 2a1x s LYS 161 CO -0.07 -0.72 1.15 -1.25 -0.36 0.00 0.00 175.35 174.09 2a1x s PRO 162 N 3.41 2.11 -0.02 4.03 0.04 -1.26 -0.85 135.00 142.46 2a1x s PRO 162 Ca 0.64 0.25 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 2a1x s PRO 162 Cb -0.28 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.23 2a1x s PRO 162 CO 0.23 -1.52 1.84 -2.14 0.04 0.00 0.00 177.00 175.45 2a1x s PRO 163 N -5.46 4.11 0.00 0.56 0.02 -1.26 -4.62 135.00 128.35 2a1x s PRO 163 Ca 0.61 2.40 0.00 0.00 0.02 0.00 0.00 61.00 64.03 2a1x s PRO 163 Cb -0.12 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 30.31 2a1x s PRO 163 CO 0.51 -0.96 0.00 -0.25 -0.33 0.00 0.00 177.00 175.97 2a1x n ASP 164 N 7.54 0.00 0.00 2.53 8.00 0.39 -5.01 116.55 130.00 2a1x n ASP 164 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.69 2a1x n ASP 164 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 2a1x n ASP 164 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2a1x n PRO 173 N 0.00 0.00 -3.77 -0.24 -0.02 -1.26 -4.79 135.00 124.91 2a1x n PRO 173 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 2a1x n PRO 173 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.44 2a1x n PRO 173 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2a1x s LEU 174 N 0.00 4.29 0.32 2.45 1.43 -1.26 -4.63 118.68 121.28 2a1x s LEU 174 Ca 0.00 0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 53.35 2a1x s LEU 174 Cb 0.00 -3.15 0.06 0.00 0.03 0.00 0.00 46.19 43.13 2a1x s LEU 174 CO 0.00 0.08 0.87 -1.38 0.23 0.00 0.00 176.35 176.15 2a1x s HIS 175 N -1.65 0.11 -0.15 0.29 -3.43 -0.06 -1.64 115.29 108.76 2a1x s HIS 175 Ca 0.38 -0.70 0.00 0.00 -0.80 0.00 0.00 55.06 53.94 2a1x s HIS 175 Cb -0.12 0.80 0.02 0.00 -1.43 0.00 0.00 32.58 31.85 2a1x s HIS 175 CO 0.27 -1.37 -0.14 -0.65 -2.00 0.00 0.00 174.74 170.85 2a1x s GLN 176 N -2.24 2.27 0.50 -0.38 -0.21 -1.26 -1.96 119.66 116.38 2a1x s GLN 176 Ca 0.18 -0.59 0.27 0.00 0.02 0.00 0.00 55.36 55.24 2a1x s GLN 176 Cb -0.04 -2.14 1.37 0.00 1.00 0.00 0.00 33.01 33.19 2a1x s GLN 176 CO 0.10 -0.26 1.89 -0.44 -2.12 0.00 0.00 175.29 174.46 2a1x h ASP 177 N 8.04 0.11 0.30 5.90 3.32 -1.72 -2.12 116.42 130.25 2a1x h ASP 177 Ca -0.37 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 2a1x h ASP 177 Cb 1.13 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 2a1x h ASP 177 CO 0.52 0.04 -0.02 0.25 -1.72 0.00 0.00 179.24 178.32 2a1x h LEU 178 N 0.11 0.00 -1.65 1.55 5.85 -1.43 -1.91 115.31 117.83 2a1x h LEU 178 Ca 0.42 0.00 0.19 0.00 0.84 0.00 0.00 57.88 59.33 2a1x h LEU 178 Cb 1.49 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.47 2a1x h LEU 178 CO -0.05 0.02 0.55 -0.74 -0.34 0.00 0.00 178.44 177.87 2a1x h HIS 179 N 0.00 0.39 -0.01 1.25 2.76 -1.64 -0.65 115.15 117.26 2a1x h HIS 179 Ca -0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2a1x h HIS 179 Cb 0.17 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.01 2a1x h HIS 179 CO 0.00 0.12 -0.15 0.66 -1.30 0.00 0.00 177.93 177.26 2a1x n TYR 180 N -4.45 0.00 -3.78 5.26 4.02 -0.72 -4.83 117.16 112.66 2a1x n TYR 180 Ca 0.17 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.68 2a1x n TYR 180 Cb 0.67 -0.07 -0.13 0.00 -0.02 0.00 0.00 39.34 39.79 2a1x n TYR 180 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2a1x s PHE 181 N -2.29 3.26 -1.16 -0.72 0.08 -0.25 -4.99 117.98 111.91 2a1x s PHE 181 Ca 0.30 -1.49 -0.04 0.00 0.12 0.00 0.00 56.93 55.81 2a1x s PHE 181 Cb 0.20 -2.25 0.16 0.00 -0.57 0.00 0.00 43.02 40.56 2a1x s PHE 181 CO 0.44 -0.74 2.30 -0.35 -0.10 0.00 0.00 175.22 176.77 2a1x n PRO 182 N 4.78 4.51 -3.73 0.24 -0.04 -1.26 -4.87 135.00 134.62 2a1x n PRO 182 Ca -0.13 -3.61 -0.13 0.00 -0.04 0.00 0.00 63.50 59.59 2a1x n PRO 182 Cb 0.44 -2.54 -0.08 0.00 -0.04 0.00 0.00 33.50 31.29 2a1x n PRO 182 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2a1x s PHE 183 N -1.98 -0.22 0.20 0.54 -0.12 -1.26 -1.85 117.98 113.29 2a1x s PHE 183 Ca 0.51 0.31 -0.04 0.00 -0.05 0.00 0.00 56.93 57.66 2a1x s PHE 183 Cb 0.21 0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 2a1x s PHE 183 CO -0.13 -0.43 0.20 1.03 -0.05 0.00 0.00 175.22 175.84 2a1x s ARG 184 N -1.51 1.24 0.32 1.99 1.81 0.54 -4.56 118.95 118.79 2a1x s ARG 184 Ca -0.12 -1.51 -0.29 0.00 -1.72 0.00 0.00 55.73 52.09 2a1x s ARG 184 Cb -0.04 0.31 -0.10 0.00 -0.45 0.00 0.00 34.95 34.67 2a1x s ARG 184 CO 0.04 -0.43 1.36 -2.14 -0.68 0.00 0.00 175.30 173.44 2a1x s PRO 185 N -4.11 4.30 0.61 3.54 0.02 -1.26 -0.73 135.00 137.37 2a1x s PRO 185 Ca 0.33 2.29 0.31 0.00 0.02 0.00 0.00 61.00 63.95 2a1x s PRO 185 Cb 0.05 -3.06 1.72 0.00 0.02 0.00 0.00 34.50 33.23 2a1x s PRO 185 CO 0.10 -0.28 2.07 0.66 -0.33 0.00 0.00 177.00 179.21 2a1x h SER 186 N 3.60 0.00 1.18 2.53 4.64 -1.96 -2.65 113.55 120.90 2a1x h SER 186 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 2a1x h SER 186 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2a1x h SER 186 CO 0.67 0.00 -0.05 0.44 -0.87 0.00 0.00 176.83 177.03 2a1x h ASP 187 N 0.00 0.00 -0.60 4.97 3.45 -1.96 -2.71 116.42 119.57 2a1x h ASP 187 Ca 0.08 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.45 2a1x h ASP 187 Cb 0.57 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 39.28 2a1x h ASP 187 CO -0.00 0.05 0.11 0.18 -1.57 0.00 0.00 179.24 178.01 2a1x n LEU 188 N -3.15 5.57 -4.15 1.55 4.77 -1.00 -4.80 117.00 115.80 2a1x n LEU 188 Ca 0.01 -2.86 -0.26 0.00 -0.03 0.00 0.00 56.01 52.88 2a1x n LEU 188 Cb 0.37 -0.70 -0.16 0.00 -2.33 0.00 0.00 43.42 40.61 2a1x n LEU 188 CO 0.30 0.67 -0.50 -0.63 -1.33 0.00 0.00 177.39 175.90 2a1x s ILE 189 N -2.70 1.43 -0.07 -0.08 1.01 -1.02 -1.19 121.20 118.57 2a1x s ILE 189 Ca 0.51 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 60.36 2a1x s ILE 189 Cb 0.39 -1.21 0.03 0.00 0.01 0.00 0.00 42.46 41.68 2a1x s ILE 189 CO 0.14 0.41 0.18 0.54 0.00 0.00 0.00 174.94 176.21 2a1x s VAL 190 N -0.16 -0.02 -0.05 2.92 0.11 0.07 -4.44 120.40 118.83 2a1x s VAL 190 Ca 0.01 0.06 -0.22 0.00 -2.93 0.00 0.00 61.98 58.90 2a1x s VAL 190 Cb -0.10 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 2a1x s VAL 190 CO 0.01 0.03 0.63 0.00 -3.33 0.00 0.00 175.10 172.44 2a1x s ALA 192 N 0.38 2.84 -0.17 0.00 0.00 0.19 -2.12 121.76 122.88 2a1x s ALA 192 Ca 0.34 -1.51 0.01 0.00 0.00 0.00 0.00 51.96 50.79 2a1x s ALA 192 Cb -0.18 -1.89 0.03 0.00 0.00 0.00 0.00 23.12 21.09 2a1x s ALA 192 CO 0.17 -0.93 -0.12 -0.46 0.00 0.00 0.00 175.76 174.42 2a1x s TRP 193 N 1.37 2.25 -0.08 0.00 -0.00 -0.32 -1.44 118.94 120.72 2a1x s TRP 193 Ca 0.00 -1.37 0.04 0.00 -0.00 0.00 0.00 56.10 54.77 2a1x s TRP 193 Cb -0.17 -1.60 -0.01 0.00 -0.00 0.00 0.00 33.47 31.68 2a1x s TRP 193 CO -0.02 -0.70 -0.20 0.99 -0.00 0.00 0.00 176.95 177.02 2a1x s THR 194 N 1.45 2.45 -0.03 5.86 2.01 0.31 -0.83 115.64 126.86 2a1x s THR 194 Ca 0.02 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.81 2a1x s THR 194 Cb -0.14 -1.95 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 2a1x s THR 194 CO -0.10 0.56 1.42 0.00 -0.69 0.00 0.00 174.62 175.81 2a1x s ALA 195 N -0.04 3.60 -1.98 7.40 0.00 -0.65 -1.85 121.76 128.25 2a1x s ALA 195 Ca -0.06 0.83 0.14 0.00 0.00 0.00 0.00 51.96 52.87 2a1x s ALA 195 Cb -0.15 -3.62 0.41 0.00 0.00 0.00 0.00 23.12 19.76 2a1x s ALA 195 CO 0.05 -1.03 1.34 -1.33 0.00 0.00 0.00 175.76 174.79 2a1x n MET 196 N 5.82 2.08 -3.11 0.00 2.81 -0.99 -0.57 117.12 123.16 2a1x n MET 196 Ca 0.14 -1.65 -0.01 0.00 -1.81 0.00 0.00 57.70 54.36 2a1x n MET 196 Cb 0.44 -1.37 0.01 0.00 -0.71 0.00 0.00 33.22 31.59 2a1x n MET 196 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2a1x n GLU 197 N 0.83 0.36 -2.08 0.03 0.28 -1.26 -4.92 120.64 113.88 2a1x n GLU 197 Ca 0.15 -0.87 -0.43 0.00 -0.16 0.00 0.00 57.16 55.85 2a1x n GLU 197 Cb 0.39 1.22 -0.03 0.00 1.43 0.00 0.00 31.44 34.46 2a1x n GLU 197 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2a1x s HIS 198 N -3.15 2.09 -0.22 -1.84 5.65 -1.26 -3.00 115.29 113.56 2a1x s HIS 198 Ca 0.16 0.40 -0.01 0.00 0.25 0.00 0.00 55.06 55.86 2a1x s HIS 198 Cb -0.02 -3.89 0.02 0.00 -1.18 0.00 0.00 32.58 27.51 2a1x s HIS 198 CO 0.03 -3.33 -0.11 0.42 -0.65 0.00 0.00 174.74 171.09 2a1x s ILE 199 N 4.44 2.67 0.00 0.89 1.01 -0.04 -4.96 121.20 125.21 2a1x s ILE 199 Ca 0.71 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 60.47 2a1x s ILE 199 Cb -0.29 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 39.93 2a1x s ILE 199 CO 0.28 0.37 0.00 -1.54 0.00 0.00 0.00 174.94 174.05 2a1x n SER 200 N 4.67 1.40 0.07 3.58 3.41 -1.26 -0.01 113.62 125.48 2a1x n SER 200 Ca -0.18 -0.43 -0.10 0.00 -0.26 0.00 0.00 58.87 57.90 2a1x n SER 200 Cb 0.49 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.45 2a1x n SER 200 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2a1x h ARG 201 N 0.00 0.30 -0.82 4.33 -0.00 -1.96 -2.30 114.38 113.93 2a1x h ARG 201 Ca 0.00 -0.29 0.01 0.00 -0.50 0.00 0.00 59.98 59.20 2a1x h ARG 201 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 29.97 30.00 2a1x h ARG 201 CO 0.00 0.97 0.54 -0.91 0.00 0.00 0.00 179.97 180.57 2a1x h ASN 202 N 0.18 0.95 -0.60 7.04 2.35 -1.97 -3.18 115.58 120.35 2a1x h ASN 202 Ca -0.04 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.58 2a1x h ASN 202 Cb 1.43 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 39.50 2a1x h ASN 202 CO 0.13 0.69 0.12 -0.46 -1.65 0.00 0.00 177.43 176.26 2a1x n ASN 203 N -4.51 5.00 -1.36 5.81 0.23 -1.23 -0.96 115.26 118.23 2a1x n ASN 203 Ca 0.08 -3.11 0.00 0.00 -0.53 0.00 0.00 54.58 51.03 2a1x n ASN 203 Cb 0.02 -0.69 0.00 0.00 -2.08 0.00 0.00 39.78 37.02 2a1x n ASN 203 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2a1x n GLY 204 N 0.06 0.75 3.72 4.83 0.00 -0.93 -4.48 105.19 109.14 2a1x n GLY 204 Ca 0.33 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2a1x n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a1x s LEU 206 N -6.37 4.53 -0.06 0.00 1.43 -1.26 -1.66 118.68 115.29 2a1x s LEU 206 Ca 0.67 2.30 -0.01 0.00 -1.03 0.00 0.00 54.13 56.06 2a1x s LEU 206 Cb -0.13 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 2a1x s LEU 206 CO 0.55 -0.21 0.03 -0.69 0.23 0.00 0.00 176.35 176.26 2a1x s VAL 207 N -1.01 4.46 0.03 -1.59 1.01 0.22 -0.70 120.40 122.81 2a1x s VAL 207 Ca 0.46 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.17 2a1x s VAL 207 Cb -0.33 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 2a1x s VAL 207 CO 0.42 0.52 -0.09 0.68 0.00 0.00 0.00 175.10 176.62 2a1x s VAL 208 N -0.99 0.71 -0.64 2.92 -7.23 0.26 -1.87 120.40 113.58 2a1x s VAL 208 Ca 0.16 -0.82 -0.14 0.00 -1.81 0.00 0.00 61.98 59.38 2a1x s VAL 208 Cb -0.12 -0.68 0.16 0.00 0.56 0.00 0.00 36.38 36.30 2a1x s VAL 208 CO 0.06 -0.11 0.57 -0.76 -0.31 0.00 0.00 175.10 174.55 2a1x s LEU 209 N -1.03 6.27 0.39 1.32 1.02 -0.25 -0.74 118.68 125.66 2a1x s LEU 209 Ca -0.03 -2.19 -0.27 0.00 0.02 0.00 0.00 54.13 51.67 2a1x s LEU 209 Cb -0.07 -2.16 -0.11 0.00 0.02 0.00 0.00 46.19 43.87 2a1x s LEU 209 CO 0.01 -0.71 1.35 -2.65 0.02 0.00 0.00 176.35 174.37 2a1x n PRO 210 N 4.65 2.22 -0.61 1.29 -0.02 -1.26 -2.62 135.00 138.65 2a1x n PRO 210 Ca -0.02 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2a1x n PRO 210 Cb 0.42 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2a1x n PRO 210 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a1x n GLY 211 N 0.67 1.69 0.01 -1.23 0.00 -0.37 -4.75 105.19 101.22 2a1x n GLY 211 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 2a1x n GLY 211 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a1x n THR 212 N -2.00 0.42 0.14 2.61 -2.24 -1.08 -2.76 114.28 109.38 2a1x n THR 212 Ca 0.00 0.07 0.08 0.00 -2.27 0.00 0.00 64.05 61.93 2a1x n THR 212 Cb 0.00 -0.70 0.40 0.00 -2.10 0.00 0.00 70.33 67.93 2a1x n THR 212 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a1x n HIS 213 N -1.60 0.50 0.68 4.78 1.44 -1.24 -1.94 115.22 117.85 2a1x n HIS 213 Ca 0.05 0.26 0.12 0.00 -2.01 0.00 0.00 57.72 56.14 2a1x n HIS 213 Cb 0.29 -0.91 0.23 0.00 0.12 0.00 0.00 29.99 29.71 2a1x n HIS 213 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2a1x n LYS 214 N -2.01 0.22 -1.33 -1.40 5.02 -1.11 -4.80 118.16 112.74 2a1x n LYS 214 Ca -0.01 0.07 -0.08 0.00 -2.02 0.00 0.00 58.31 56.28 2a1x n LYS 214 Cb 0.04 -1.65 0.04 0.00 -0.02 0.00 0.00 35.03 33.44 2a1x n LYS 214 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a1x n GLY 215 N 1.38 0.89 3.91 0.72 0.00 -0.82 -5.10 105.19 106.18 2a1x n GLY 215 Ca 0.04 -2.01 -0.28 0.00 0.00 0.00 0.00 46.02 43.78 2a1x n GLY 215 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a1x s SER 216 N -2.36 5.23 -0.12 1.61 1.04 -1.26 -5.00 113.70 112.84 2a1x s SER 216 Ca 0.22 0.78 -0.29 0.00 0.48 0.00 0.00 55.95 57.13 2a1x s SER 216 Cb -0.01 -1.57 -0.04 0.00 0.10 0.00 0.00 66.02 64.50 2a1x s SER 216 CO 0.15 -1.38 1.50 -0.22 0.98 0.00 0.00 173.24 174.27 2a1x s LEU 217 N -5.23 4.21 0.42 2.42 2.96 -1.26 -5.02 118.68 117.18 2a1x s LEU 217 Ca 0.58 1.94 -0.08 0.00 -0.22 0.00 0.00 54.13 56.35 2a1x s LEU 217 Cb -0.11 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 2a1x s LEU 217 CO 0.47 -0.91 0.75 -0.54 -1.32 0.00 0.00 176.35 174.80 2a1x s LYS 218 N 3.92 3.66 0.43 1.98 -0.14 -1.26 -5.06 119.74 123.28 2a1x s LYS 218 Ca 0.66 0.29 -0.24 0.00 -1.36 0.00 0.00 55.97 55.33 2a1x s LYS 218 Cb -0.28 -2.42 -0.08 0.00 -1.68 0.00 0.00 37.83 33.38 2a1x s LYS 218 CO 0.24 -0.08 1.15 -1.25 -0.76 0.00 0.00 175.35 174.65 2a1x s PRO 219 N -4.19 3.90 0.02 -1.68 0.04 -1.26 -4.97 135.00 126.86 2a1x s PRO 219 Ca 0.49 1.76 0.05 0.00 0.04 0.00 0.00 61.00 63.34 2a1x s PRO 219 Cb -0.10 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 2a1x s PRO 219 CO 0.37 -0.43 -0.16 -1.01 0.04 0.00 0.00 177.00 175.81 2a1x s HIS 220 N -1.52 1.40 -0.28 0.56 3.76 -1.26 -4.30 115.29 113.64 2a1x s HIS 220 Ca 0.61 -0.33 -0.06 0.00 -0.15 0.00 0.00 55.06 55.13 2a1x s HIS 220 Cb -0.28 -0.85 0.00 0.00 1.11 0.00 0.00 32.58 32.56 2a1x s HIS 220 CO 0.35 0.03 0.06 -0.51 -0.85 0.00 0.00 174.74 173.81 2a1x s ASP 221 N -0.89 4.98 0.00 1.40 1.01 -1.21 -4.97 116.67 116.99 2a1x s ASP 221 Ca 0.04 -0.59 0.00 0.00 0.71 0.00 0.00 52.55 52.71 2a1x s ASP 221 Cb -0.07 -1.86 0.00 0.00 1.01 0.00 0.00 42.92 42.00 2a1x s ASP 221 CO 0.01 -0.14 0.00 0.00 0.21 0.00 0.00 175.17 175.25 2a1x n TYR 222 N 4.86 0.00 -2.25 4.23 4.19 -1.26 -4.03 117.16 122.90 2a1x n TYR 222 Ca -0.15 0.00 -0.06 0.00 3.31 0.00 0.00 57.90 61.00 2a1x n TYR 222 Cb 0.49 0.00 0.03 0.00 0.49 0.00 0.00 39.34 40.35 2a1x n TYR 222 CO 0.00 0.00 0.00 -2.39 0.91 0.00 0.00 176.86 175.38 2a1x n HIS 234 N 0.00 -0.90 0.00 2.98 1.44 -1.26 -5.14 115.22 112.34 2a1x n HIS 234 Ca 0.00 0.33 0.00 0.00 -2.01 0.00 0.00 57.72 56.04 2a1x n HIS 234 Cb 0.00 -3.12 0.00 0.00 0.12 0.00 0.00 29.99 26.99 2a1x n HIS 234 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2a1x n GLY 235 N -1.31 0.00 3.64 -1.39 0.00 -1.18 -4.84 105.19 100.11 2a1x n GLY 235 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2a1x n GLY 235 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a1x s ILE 236 N -0.86 3.21 -0.71 -0.61 1.01 -0.65 -3.33 121.20 119.25 2a1x s ILE 236 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.89 2a1x s ILE 236 Cb 0.00 -3.20 0.38 0.00 0.01 0.00 0.00 42.46 39.65 2a1x s ILE 236 CO 0.00 -0.07 1.74 0.00 0.00 0.00 0.00 174.94 176.60 2a1x n GLN 237 N 7.89 2.97 0.00 2.79 3.00 -1.26 -4.72 117.38 128.05 2a1x n GLN 237 Ca 0.22 -3.83 0.00 0.00 -0.01 0.00 0.00 57.00 53.39 2a1x n GLN 237 Cb 0.43 -2.26 0.00 0.00 0.00 0.00 0.00 30.24 28.41 2a1x n GLN 237 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2a1x n ASP 238 N -0.54 0.00 0.00 1.08 8.00 -1.26 -5.19 116.55 118.65 2a1x n ASP 238 Ca 0.50 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.00 2a1x n ASP 238 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 2a1x n ASP 238 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2a1x n GLU 240 N 0.00 0.00 0.00 -1.24 0.00 -1.26 -5.23 120.64 112.91 2a1x n GLU 240 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2a1x n GLU 240 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2a1x n GLU 240 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2a1x n GLU 241 N 0.00 0.00 -3.77 3.44 2.13 -1.26 -4.98 120.64 116.20 2a1x n GLU 241 Ca 0.00 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.59 2a1x n GLU 241 Cb 0.00 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.73 2a1x n GLU 241 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2a1x n ASN 242 N 0.00 -1.17 -3.61 4.31 4.13 -1.26 -4.98 115.26 112.67 2a1x n ASN 242 Ca 0.00 -0.89 -0.00 0.00 1.68 0.00 0.00 54.58 55.37 2a1x n ASN 242 Cb 0.00 -3.73 -0.06 0.00 -1.54 0.00 0.00 39.78 34.45 2a1x n ASN 242 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2a1x s LYS 243 N -6.13 0.24 0.26 3.52 2.20 -1.26 -5.09 119.74 113.48 2a1x s LYS 243 Ca 0.03 0.43 -0.31 0.00 -0.36 0.00 0.00 55.97 55.76 2a1x s LYS 243 Cb -0.01 0.07 -0.11 0.00 -1.51 0.00 0.00 37.83 36.27 2a1x s LYS 243 CO 0.84 -0.05 1.62 0.00 -0.36 0.00 0.00 175.35 177.39 2a1x s ALA 244 N 1.32 3.79 0.66 3.13 0.00 -1.26 -4.56 121.76 124.85 2a1x s ALA 244 Ca -0.08 1.55 -0.17 0.00 0.00 0.00 0.00 51.96 53.26 2a1x s ALA 244 Cb -0.03 -3.65 -0.00 0.00 0.00 0.00 0.00 23.12 19.43 2a1x s ALA 244 CO -0.13 -0.94 1.22 0.54 0.00 0.00 0.00 175.76 176.45 2a1x n ARG 245 N 2.76 0.96 -5.20 0.00 1.74 -1.26 -4.61 116.66 111.05 2a1x n ARG 245 Ca 0.10 0.38 -0.32 0.00 -0.77 0.00 0.00 57.85 57.25 2a1x n ARG 245 Cb 0.37 -2.46 -0.17 0.00 -1.02 0.00 0.00 32.46 29.18 2a1x n ARG 245 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2a1x s VAL 246 N -1.50 2.09 -0.31 1.55 1.01 0.08 -4.96 120.40 118.36 2a1x s VAL 246 Ca 0.81 -1.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.60 2a1x s VAL 246 Cb -0.37 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 2a1x s VAL 246 CO 0.42 0.56 0.52 -1.00 0.00 0.00 0.00 175.10 175.60 2a1x s HIS 247 N 0.35 3.21 -1.10 5.22 3.76 -1.26 -0.57 115.29 124.89 2a1x s HIS 247 Ca -0.19 0.38 -0.20 0.00 -0.15 0.00 0.00 55.06 54.91 2a1x s HIS 247 Cb -0.18 -2.85 0.09 0.00 1.11 0.00 0.00 32.58 30.75 2a1x s HIS 247 CO 0.09 -0.43 1.46 -0.51 -0.85 0.00 0.00 174.74 174.50 2a1x s LEU 248 N 2.38 4.09 -0.01 0.89 1.43 0.12 -4.97 118.68 122.61 2a1x s LEU 248 Ca 0.20 -2.03 -0.30 0.00 -1.03 0.00 0.00 54.13 50.97 2a1x s LEU 248 Cb -0.15 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 2a1x s LEU 248 CO 0.12 -1.23 1.19 0.54 0.23 0.00 0.00 176.35 177.19 2a1x s VAL 249 N 3.90 4.20 0.06 -1.59 0.11 -1.26 -4.24 120.40 121.58 2a1x s VAL 249 Ca 0.45 1.55 0.05 0.00 -2.93 0.00 0.00 61.98 61.10 2a1x s VAL 249 Cb -0.00 -4.00 -0.03 0.00 -1.53 0.00 0.00 36.38 30.82 2a1x s VAL 249 CO -0.04 0.05 -0.13 -0.04 -3.33 0.00 0.00 175.10 171.61 2a1x s MET 250 N 1.72 0.78 0.38 1.54 -1.94 0.98 -5.00 119.30 117.76 2a1x s MET 250 Ca 0.57 -0.91 -0.02 0.00 -1.71 0.00 0.00 55.69 53.62 2a1x s MET 250 Cb -0.26 -0.76 -0.04 0.00 2.01 0.00 0.00 34.83 35.78 2a1x s MET 250 CO 0.25 0.17 0.62 -1.83 -0.01 0.00 0.00 175.02 174.22 2a1x s GLU 251 N -1.66 3.53 -0.01 2.03 -1.05 -1.26 -0.86 118.70 119.41 2a1x s GLU 251 Ca -0.03 -0.12 -0.39 0.00 -0.15 0.00 0.00 54.97 54.29 2a1x s GLU 251 Cb -0.10 -2.57 -0.18 0.00 -0.44 0.00 0.00 34.13 30.84 2a1x s GLU 251 CO 0.02 0.06 1.29 1.17 0.95 0.00 0.00 175.26 178.75 2a1x n LYS 252 N -1.78 0.67 0.00 -4.83 4.81 -1.16 -1.28 118.16 114.58 2a1x n LYS 252 Ca -0.03 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 2a1x n LYS 252 Cb 0.55 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 33.78 2a1x n LYS 252 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2a1x n GLY 253 N 2.39 3.00 3.74 3.14 0.00 0.26 -4.76 105.19 112.96 2a1x n GLY 253 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 2a1x n GLY 253 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a1x n ASP 254 N 0.24 2.74 -4.14 1.61 8.00 -0.41 -1.68 116.55 122.92 2a1x n ASP 254 Ca 0.00 1.01 -0.25 0.00 0.71 0.00 0.00 54.79 56.26 2a1x n ASP 254 Cb 0.00 -1.57 -0.16 0.00 -0.02 0.00 0.00 41.12 39.37 2a1x n ASP 254 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2a1x s THR 255 N -1.27 1.35 -0.10 -3.53 2.01 -0.83 -1.63 115.64 111.64 2a1x s THR 255 Ca 0.69 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.97 2a1x s THR 255 Cb -0.43 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 2a1x s THR 255 CO 0.51 0.39 -0.03 0.54 -0.69 0.00 0.00 174.62 175.34 2a1x s VAL 256 N -0.21 4.06 -0.14 3.82 0.11 -0.01 -1.06 120.40 126.97 2a1x s VAL 256 Ca 0.02 -0.33 -0.02 0.00 -2.93 0.00 0.00 61.98 58.72 2a1x s VAL 256 Cb -0.09 -2.71 -0.02 0.00 -1.53 0.00 0.00 36.38 32.03 2a1x s VAL 256 CO 0.00 0.58 -0.07 -0.36 -3.33 0.00 0.00 175.10 171.93 2a1x s PHE 257 N -0.58 2.96 0.06 1.54 0.40 0.57 -1.17 117.98 121.77 2a1x s PHE 257 Ca 0.09 -0.35 -0.20 0.00 -0.60 0.00 0.00 56.93 55.87 2a1x s PHE 257 Cb -0.12 -1.90 0.04 0.00 0.51 0.00 0.00 43.02 41.56 2a1x s PHE 257 CO 0.02 -0.04 0.47 -0.59 0.70 0.00 0.00 175.22 175.78 2a1x s PHE 258 N 0.23 -0.34 0.35 0.36 -0.12 -0.90 -0.22 117.98 117.33 2a1x s PHE 258 Ca -0.04 0.29 -0.24 0.00 -0.05 0.00 0.00 56.93 56.90 2a1x s PHE 258 Cb -0.14 0.30 -0.10 0.00 -0.63 0.00 0.00 43.02 42.44 2a1x s PHE 258 CO 0.04 -0.64 0.93 -1.58 -0.05 0.00 0.00 175.22 173.91 2a1x s HIS 259 N -2.71 3.55 -0.07 3.49 5.65 -0.76 -1.46 115.29 122.97 2a1x s HIS 259 Ca -0.04 1.68 0.29 0.00 0.25 0.00 0.00 55.06 57.25 2a1x s HIS 259 Cb -0.00 -2.87 1.37 0.00 -1.18 0.00 0.00 32.58 29.90 2a1x s HIS 259 CO -0.04 0.11 1.88 -1.35 -0.65 0.00 0.00 174.74 174.69 2a1x h PRO 260 N 2.73 0.00 -0.03 2.88 0.11 -1.82 -1.74 132.00 134.14 2a1x h PRO 260 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2a1x h PRO 260 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2a1x h PRO 260 CO 0.64 0.00 -0.09 1.28 -0.21 0.00 0.00 178.00 179.61 2a1x n LEU 261 N -2.60 2.64 -4.69 2.35 4.77 -1.26 -0.97 117.00 117.24 2a1x n LEU 261 Ca 0.00 -0.89 -0.42 0.00 -0.03 0.00 0.00 56.01 54.67 2a1x n LEU 261 Cb 0.18 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2a1x n LEU 261 CO 0.19 0.45 1.30 -0.22 -1.33 0.00 0.00 177.39 177.78 2a1x s LEU 262 N -2.10 4.35 -0.14 2.23 2.96 -0.66 -3.65 118.68 121.68 2a1x s LEU 262 Ca 0.27 2.40 -0.29 0.00 -0.22 0.00 0.00 54.13 56.29 2a1x s LEU 262 Cb 0.20 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.32 2a1x s LEU 262 CO 0.36 -0.86 1.01 -0.63 -1.32 0.00 0.00 176.35 174.91 2a1x s ILE 263 N 2.73 4.76 0.29 6.68 1.01 -1.26 -4.49 121.20 130.93 2a1x s ILE 263 Ca 0.72 2.03 -0.13 0.00 0.00 0.00 0.00 60.65 63.27 2a1x s ILE 263 Cb -0.38 -4.31 0.01 0.00 0.01 0.00 0.00 42.46 37.80 2a1x s ILE 263 CO 0.31 -0.04 0.58 -1.38 0.00 0.00 0.00 174.94 174.42 2a1x s HIS 264 N 2.29 0.32 0.05 3.97 -3.43 -0.83 -1.09 115.29 116.57 2a1x s HIS 264 Ca 0.47 -0.73 -0.28 0.00 -0.80 0.00 0.00 55.06 53.72 2a1x s HIS 264 Cb -0.17 0.37 0.10 0.00 -1.43 0.00 0.00 32.58 31.44 2a1x s HIS 264 CO 0.15 -1.17 1.17 0.20 -2.00 0.00 0.00 174.74 173.09 2a1x s GLY 265 N -3.04 -0.31 -0.10 -1.38 0.00 -0.78 -0.88 107.32 100.83 2a1x s GLY 265 Ca 0.20 0.41 -0.03 0.00 0.00 0.00 0.00 44.72 45.30 2a1x s GLY 265 CO 0.11 0.56 0.02 -0.56 0.00 0.00 0.00 173.10 173.23 2a1x s SER 266 N -3.05 5.33 1.06 1.64 0.01 -1.26 0.71 113.70 118.14 2a1x s SER 266 Ca 0.15 0.14 -0.16 0.00 1.31 0.00 0.00 55.95 57.40 2a1x s SER 266 Cb 0.02 -1.59 0.22 0.00 0.21 0.00 0.00 66.02 64.87 2a1x s SER 266 CO -0.01 0.34 1.12 0.61 0.41 0.00 0.00 173.24 175.71 2a1x n GLY 267 N 2.38 -1.80 3.75 3.44 0.00 -0.67 -4.67 105.19 107.62 2a1x n GLY 267 Ca -0.18 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 2a1x n GLY 267 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2a1x s GLN 268 N -5.46 4.37 -0.94 1.61 -0.21 -1.26 -4.34 119.66 113.43 2a1x s GLN 268 Ca 0.65 2.13 -0.17 0.00 0.02 0.00 0.00 55.36 58.00 2a1x s GLN 268 Cb -0.03 -3.14 0.16 0.00 1.00 0.00 0.00 33.01 31.00 2a1x s GLN 268 CO 0.47 -0.23 1.07 1.21 -2.12 0.00 0.00 175.29 175.68 2a1x s ASN 269 N 0.02 6.74 -0.07 5.90 3.84 -1.26 -2.20 114.94 127.92 2a1x s ASN 269 Ca 0.54 -2.38 0.06 0.00 0.21 0.00 0.00 52.86 51.29 2a1x s ASN 269 Cb -0.38 -2.34 0.31 0.00 -0.55 0.00 0.00 41.25 38.29 2a1x s ASN 269 CO 0.44 -0.87 1.06 2.29 -2.79 0.00 0.00 177.10 177.22 2a1x n LYS 270 N 5.62 2.32 -3.26 0.43 -0.00 -0.14 -0.46 118.16 122.68 2a1x n LYS 270 Ca 0.23 -1.20 -0.21 0.00 -0.00 0.00 0.00 58.31 57.12 2a1x n LYS 270 Cb 0.47 -1.65 0.05 0.00 -0.00 0.00 0.00 35.03 33.90 2a1x n LYS 270 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2a1x s THR 271 N -1.68 1.96 -2.72 0.58 -4.23 -1.24 -5.00 115.64 103.31 2a1x s THR 271 Ca 0.21 -1.13 0.24 0.00 -1.18 0.00 0.00 61.69 59.83 2a1x s THR 271 Cb 0.15 -2.08 0.32 0.00 1.34 0.00 0.00 72.50 72.23 2a1x s THR 271 CO 0.08 0.00 1.36 0.00 -0.54 0.00 0.00 174.62 175.52 2a1x n GLN 272 N -2.15 2.36 -3.97 3.99 6.02 -1.26 -4.52 117.38 117.85 2a1x n GLN 272 Ca 0.12 -2.01 -0.23 0.00 -0.01 0.00 0.00 57.00 54.86 2a1x n GLN 272 Cb 0.62 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.37 2a1x n GLN 272 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2a1x s GLY 273 N -1.76 1.42 -0.14 1.08 0.00 -1.26 -4.82 107.32 101.85 2a1x s GLY 273 Ca 0.34 -1.16 -0.19 0.00 0.00 0.00 0.00 44.72 43.71 2a1x s GLY 273 CO 0.31 -1.18 0.51 -1.36 0.00 0.00 0.00 173.10 171.38 2a1x s PHE 274 N -1.89 3.47 -0.32 1.90 0.40 -1.26 -4.10 117.98 116.19 2a1x s PHE 274 Ca 0.34 0.88 -0.10 0.00 -0.60 0.00 0.00 56.93 57.45 2a1x s PHE 274 Cb -0.10 -2.61 -0.01 0.00 0.51 0.00 0.00 43.02 40.81 2a1x s PHE 274 CO 0.28 0.07 0.17 0.50 0.70 0.00 0.00 175.22 176.95 2a1x s ARG 275 N 0.98 3.39 -0.17 0.44 3.00 -0.03 -4.79 118.95 121.77 2a1x s ARG 275 Ca 0.26 -0.69 -0.09 0.00 -1.00 0.00 0.00 55.73 54.21 2a1x s ARG 275 Cb -0.15 -3.63 -0.05 0.00 0.00 0.00 0.00 34.95 31.12 2a1x s ARG 275 CO 0.11 -0.42 0.13 0.15 0.00 0.00 0.00 175.30 175.27 2a1x s LYS 276 N 1.64 3.90 0.03 5.12 1.02 -1.25 -0.68 119.74 129.52 2a1x s LYS 276 Ca 0.05 -0.20 -0.01 0.00 0.02 0.00 0.00 55.97 55.84 2a1x s LYS 276 Cb -0.17 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.79 2a1x s LYS 276 CO 0.07 0.47 -0.02 0.00 -0.92 0.00 0.00 175.35 174.95 2a1x s ALA 277 N -0.14 0.18 0.05 5.17 0.00 -0.45 -2.35 121.76 124.22 2a1x s ALA 277 Ca 0.10 -0.70 0.08 0.00 0.00 0.00 0.00 51.96 51.44 2a1x s ALA 277 Cb -0.11 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 2a1x s ALA 277 CO 0.00 -0.21 -0.22 -1.50 0.00 0.00 0.00 175.76 173.83 2a1x s ILE 278 N -2.01 2.48 0.09 0.00 2.07 -0.77 0.33 121.20 123.39 2a1x s ILE 278 Ca -0.11 -1.32 -0.19 0.00 -1.41 0.00 0.00 60.65 57.63 2a1x s ILE 278 Cb -0.06 -2.02 0.04 0.00 0.13 0.00 0.00 42.46 40.56 2a1x s ILE 278 CO -0.03 0.33 0.45 -0.94 -1.91 0.00 0.00 174.94 172.84 2a1x s SER 279 N -1.41 -0.32 -0.06 4.50 1.04 0.12 -0.53 113.70 117.03 2a1x s SER 279 Ca 0.13 -0.11 -0.05 0.00 0.48 0.00 0.00 55.95 56.40 2a1x s SER 279 Cb -0.10 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.51 2a1x s SER 279 CO 0.04 -0.79 0.16 0.00 0.98 0.00 0.00 173.24 173.63 2a1x s HIS 281 N 0.21 3.26 0.16 0.00 3.76 -0.00 0.56 115.29 123.24 2a1x s HIS 281 Ca -0.01 0.10 0.05 0.00 -0.15 0.00 0.00 55.06 55.06 2a1x s HIS 281 Cb -0.02 -2.24 -0.04 0.00 1.11 0.00 0.00 32.58 31.39 2a1x s HIS 281 CO -0.01 0.01 0.10 -0.06 -0.85 0.00 0.00 174.74 173.94 2a1x s PHE 282 N 1.06 3.10 -0.01 1.40 0.40 0.12 -0.74 117.98 123.30 2a1x s PHE 282 Ca 0.06 -0.03 -0.09 0.00 -0.60 0.00 0.00 56.93 56.28 2a1x s PHE 282 Cb -0.14 -1.50 0.01 0.00 0.51 0.00 0.00 43.02 41.90 2a1x s PHE 282 CO 0.04 0.52 0.18 0.00 0.70 0.00 0.00 175.22 176.66 2a1x s ALA 283 N -1.70 -0.44 0.33 5.36 0.00 -0.27 -0.75 121.76 124.29 2a1x s ALA 283 Ca 0.30 0.08 -0.29 0.00 0.00 0.00 0.00 51.96 52.05 2a1x s ALA 283 Cb -0.10 0.02 -0.11 0.00 0.00 0.00 0.00 23.12 22.93 2a1x s ALA 283 CO 0.22 -0.20 1.53 0.45 0.00 0.00 0.00 175.76 177.76 2a1x s SER 284 N -1.10 6.38 0.62 0.00 0.15 -0.33 -1.20 113.70 118.22 2a1x s SER 284 Ca -0.12 2.98 0.38 0.00 0.70 0.00 0.00 55.95 59.90 2a1x s SER 284 Cb -0.06 -2.65 2.04 0.00 -1.71 0.00 0.00 66.02 63.63 2a1x s SER 284 CO 0.02 -0.87 2.25 0.00 1.20 0.00 0.00 173.24 175.84 2a1x h ALA 285 N 3.93 1.11 0.00 5.45 0.00 -1.74 -1.17 119.26 126.83 2a1x h ALA 285 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2a1x h ALA 285 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2a1x h ALA 285 CO 0.72 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.74 2a1x n ASP 286 N -3.27 0.00 -4.01 0.00 8.00 -1.26 -0.26 116.55 115.75 2a1x n ASP 286 Ca -0.02 0.47 -0.29 0.00 0.71 0.00 0.00 54.79 55.65 2a1x n ASP 286 Cb 0.14 -0.49 0.27 0.00 -0.02 0.00 0.00 41.12 41.02 2a1x n ASP 286 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a1x s HIS 288 N -2.36 0.82 -0.14 0.00 -3.43 0.09 -3.87 115.29 106.41 2a1x s HIS 288 Ca 0.69 -1.19 -0.11 0.00 -0.80 0.00 0.00 55.06 53.65 2a1x s HIS 288 Cb -0.20 -0.44 -0.05 0.00 -1.43 0.00 0.00 32.58 30.46 2a1x s HIS 288 CO 0.62 -0.54 0.21 0.71 -2.00 0.00 0.00 174.74 173.74 2a1x s TYR 289 N -4.04 3.53 0.10 0.38 1.51 -1.26 -0.34 117.35 117.23 2a1x s TYR 289 Ca 0.24 0.55 0.04 0.00 -1.01 0.00 0.00 57.07 56.89 2a1x s TYR 289 Cb 0.07 -2.15 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 2a1x s TYR 289 CO 0.02 0.47 0.07 0.96 -1.11 0.00 0.00 175.55 175.95 2a1x s ILE 290 N -0.25 4.36 -0.11 2.71 -4.36 -0.77 -4.95 121.20 117.84 2a1x s ILE 290 Ca 0.15 -0.92 -0.30 0.00 -0.26 0.00 0.00 60.65 59.32 2a1x s ILE 290 Cb -0.13 -3.13 -0.01 0.00 1.25 0.00 0.00 42.46 40.44 2a1x s ILE 290 CO 0.04 0.06 1.07 -0.62 0.24 0.00 0.00 174.94 175.73 2a1x s ASP 291 N -2.55 7.17 0.00 4.36 2.15 -1.26 -4.82 116.67 121.72 2a1x s ASP 291 Ca 0.29 1.60 0.24 0.00 0.43 0.00 0.00 52.55 55.10 2a1x s ASP 291 Cb -0.11 -2.55 0.70 0.00 -0.30 0.00 0.00 42.92 40.65 2a1x s ASP 291 CO 0.21 -0.52 1.54 1.33 -0.17 0.00 0.00 175.17 177.56 2a1x n VAL 292 N 4.68 0.17 -2.04 1.11 0.24 -1.26 -4.93 118.33 116.31 2a1x n VAL 292 Ca 0.10 -0.41 -0.41 0.00 -2.04 0.00 0.00 64.34 61.57 2a1x n VAL 292 Cb 0.48 0.67 -0.02 0.00 -1.47 0.00 0.00 33.84 33.49 2a1x n VAL 292 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2a1x s LYS 293 N -1.83 4.28 -0.01 7.34 1.02 -1.26 -2.26 119.74 127.02 2a1x s LYS 293 Ca 0.34 2.27 0.00 0.00 0.02 0.00 0.00 55.97 58.60 2a1x s LYS 293 Cb 0.20 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 34.38 2a1x s LYS 293 CO 0.30 -0.41 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 2a1x n GLY 294 N 2.31 0.41 3.81 -3.33 0.00 -1.26 -4.98 105.19 102.15 2a1x n GLY 294 Ca 0.07 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 2a1x n GLY 294 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a1x s THR 295 N -1.82 1.42 0.49 2.61 -4.23 -0.96 -5.00 115.64 108.15 2a1x s THR 295 Ca 0.00 -1.79 0.17 0.00 -1.18 0.00 0.00 61.69 58.88 2a1x s THR 295 Cb 0.00 -2.21 0.31 0.00 1.34 0.00 0.00 72.50 71.94 2a1x s THR 295 CO 0.00 0.00 2.06 0.77 -0.54 0.00 0.00 174.62 176.91 2a1x h SER 296 N 1.13 0.15 0.11 3.99 4.64 -1.96 -1.93 113.55 119.69 2a1x h SER 296 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2a1x h SER 296 Cb 1.31 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2a1x h SER 296 CO 0.68 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.74 2a1x n GLN 297 N -4.47 0.86 -0.30 4.77 6.02 -1.26 -4.25 117.38 118.74 2a1x n GLN 297 Ca 0.04 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.17 2a1x n GLN 297 Cb 0.28 -1.50 0.30 0.00 1.02 0.00 0.00 30.24 30.34 2a1x n GLN 297 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2a1x h GLU 298 N 0.00 0.18 -0.63 -1.09 4.81 -1.12 -2.37 114.58 114.36 2a1x h GLU 298 Ca 0.00 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2a1x h GLU 298 Cb 0.05 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 2a1x h GLU 298 CO 0.00 0.12 0.42 -0.91 -0.73 0.00 0.00 179.01 177.91 2a1x h ASN 299 N 0.19 0.63 -0.95 1.04 4.21 -1.84 -2.92 115.58 115.93 2a1x h ASN 299 Ca 0.57 -0.01 0.15 0.00 1.21 0.00 0.00 56.30 58.22 2a1x h ASN 299 Cb 1.17 -0.15 -0.09 0.00 -1.12 0.00 0.00 38.32 38.13 2a1x h ASN 299 CO -0.68 0.43 0.57 0.16 -1.29 0.00 0.00 177.43 176.62 2a1x h ILE 300 N 0.74 0.80 -1.17 2.81 3.07 -1.77 -0.48 117.51 121.52 2a1x h ILE 300 Ca 0.25 -0.28 0.38 0.00 1.55 0.00 0.00 64.86 66.76 2a1x h ILE 300 Cb 0.10 -0.09 -0.13 0.00 -0.27 0.00 0.00 36.82 36.43 2a1x h ILE 300 CO -0.07 0.15 0.73 -0.33 -1.05 0.00 0.00 178.15 177.57 2a1x h GLU 301 N 0.81 0.18 0.00 0.16 4.39 -1.71 -3.54 114.58 114.88 2a1x h GLU 301 Ca 0.51 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.20 2a1x h GLU 301 Cb 0.66 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2a1x h GLU 301 CO -0.33 0.12 0.00 1.63 -1.16 0.00 0.00 179.01 179.27 2a1x n LYS 302 N -4.82 0.00 -2.87 2.33 5.02 -0.19 -5.08 118.16 112.55 2a1x n LYS 302 Ca 0.34 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.43 2a1x n LYS 302 Cb 1.22 -0.31 0.02 0.00 -0.02 0.00 0.00 35.03 35.95 2a1x n LYS 302 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2a1x s ASN 319 N 0.00 5.54 0.22 4.39 2.20 -1.26 -5.13 114.94 120.91 2a1x s ASN 319 Ca 0.00 -0.05 -0.06 0.00 -0.94 0.00 0.00 52.86 51.82 2a1x s ASN 319 Cb 0.00 -1.01 0.20 0.00 -2.00 0.00 0.00 41.25 38.44 2a1x s ASN 319 CO 0.00 -0.90 1.73 0.25 -2.94 0.00 0.00 177.10 175.25 2a1x h LEU 320 N 0.34 0.96 -1.07 3.54 5.85 -1.99 -1.02 115.31 121.93 2a1x h LEU 320 Ca -0.43 -0.22 0.20 0.00 0.84 0.00 0.00 57.88 58.27 2a1x h LEU 320 Cb 1.28 -0.26 -0.10 0.00 0.37 0.00 0.00 40.66 41.95 2a1x h LEU 320 CO 0.52 0.96 0.61 0.50 -0.34 0.00 0.00 178.44 180.69 2a1x h LYS 321 N 0.95 0.68 0.08 1.25 3.64 -1.94 -2.49 116.57 118.75 2a1x h LYS 321 Ca 0.19 -0.04 -0.28 0.00 -1.27 0.00 0.00 60.65 59.25 2a1x h LYS 321 Cb 0.41 -0.15 0.02 0.00 -0.41 0.00 0.00 32.23 32.09 2a1x h LYS 321 CO 0.01 0.45 -1.17 -0.44 -2.27 0.00 0.00 179.45 176.03 2a1x h ASP 322 N 0.70 0.79 -0.82 4.20 3.32 -1.61 0.36 116.42 123.36 2a1x h ASP 322 Ca 0.58 -0.71 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 2a1x h ASP 322 Cb 0.99 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.25 2a1x h ASP 322 CO -0.37 1.52 0.39 0.40 -1.72 0.00 0.00 179.24 179.46 2a1x h ILE 323 N 0.27 1.26 -0.03 0.35 2.04 -1.34 0.75 117.51 120.80 2a1x h ILE 323 Ca -0.16 -0.73 -0.20 0.00 1.00 0.00 0.00 64.86 64.77 2a1x h ILE 323 Cb 1.84 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2a1x h ILE 323 CO 0.22 0.31 -0.84 -0.50 0.00 0.00 0.00 178.15 177.34 2a1x h TRP 324 N 1.18 0.52 -0.38 1.37 4.06 -1.44 -2.21 115.95 119.05 2a1x h TRP 324 Ca 0.28 -0.26 -0.05 0.00 2.06 0.00 0.00 58.89 60.92 2a1x h TRP 324 Cb 0.13 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.20 2a1x h TRP 324 CO 0.02 1.05 0.04 0.52 -3.56 0.00 0.00 178.44 176.50 2a1x h MET 325 N 0.22 0.65 0.00 0.49 2.86 -0.45 -0.92 114.93 117.79 2a1x h MET 325 Ca -0.05 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 2a1x h MET 325 Cb 1.45 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 33.04 2a1x h MET 325 CO 0.14 0.73 -0.15 0.74 1.06 0.00 0.00 176.91 179.43 2a1x h PHE 326 N 0.49 0.00 0.06 -0.22 -1.00 0.51 -2.96 116.94 113.82 2a1x h PHE 326 Ca 0.11 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.62 2a1x h PHE 326 Cb 0.41 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.95 2a1x h PHE 326 CO 0.03 0.15 -1.36 -0.09 -1.61 0.00 0.00 178.31 175.43 2a1x h ARG 327 N 0.00 0.14 -6.89 1.51 2.43 -1.23 -3.47 114.38 106.86 2a1x h ARG 327 Ca -0.00 -0.23 -0.52 0.00 -0.81 0.00 0.00 59.98 58.41 2a1x h ARG 327 Cb 0.29 0.09 0.07 0.00 -0.42 0.00 0.00 29.97 30.00 2a1x h ARG 327 CO 0.02 0.99 0.65 0.00 -1.51 0.00 0.00 179.97 180.13 2a1x s ALA 328 N -2.65 3.50 -0.05 2.80 0.00 -0.37 -4.92 121.76 120.07 2a1x s ALA 328 Ca -0.05 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.24 2a1x s ALA 328 Cb 0.08 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.71 2a1x s ALA 328 CO 0.84 -0.70 -0.11 1.03 0.00 0.00 0.00 175.76 176.82 2a1x s ARG 329 N -1.85 1.40 -0.13 0.00 1.81 -1.15 -5.00 118.95 114.03 2a1x s ARG 329 Ca 0.50 -0.37 -0.29 0.00 -1.72 0.00 0.00 55.73 53.84 2a1x s ARG 329 Cb -0.40 -1.21 -0.02 0.00 -0.45 0.00 0.00 34.95 32.86 2a1x s ARG 329 CO 0.54 0.07 1.17 -1.17 -0.68 0.00 0.00 175.30 175.23 2a1x s LEU 330 N 0.48 4.21 -0.04 2.53 2.96 -1.26 -1.38 118.68 126.19 2a1x s LEU 330 Ca -0.10 1.67 0.08 0.00 -0.22 0.00 0.00 54.13 55.57 2a1x s LEU 330 Cb -0.13 -3.55 -0.13 0.00 0.50 0.00 0.00 46.19 42.88 2a1x s LEU 330 CO 0.02 -0.64 0.14 0.52 -1.32 0.00 0.00 176.35 175.06 2a1x n VAL 331 N 4.99 0.21 -3.52 1.68 0.31 -0.30 -4.94 118.33 116.75 2a1x n VAL 331 Ca 0.12 -0.26 -0.15 0.00 -0.01 0.00 0.00 64.34 64.04 2a1x n VAL 331 Cb 0.46 -0.09 -0.05 0.00 -0.91 0.00 0.00 33.84 33.24 2a1x n VAL 331 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2a1x s LYS 332 N -2.47 0.96 5.94 5.55 3.01 -1.01 -4.96 119.74 126.76 2a1x s LYS 332 Ca -0.04 0.16 0.00 0.00 -1.01 0.00 0.00 55.97 55.08 2a1x s LYS 332 Cb 0.05 0.45 0.00 0.00 -1.01 0.00 0.00 37.83 37.32 2a1x s LYS 332 CO 0.36 -0.32 0.00 0.41 0.51 0.00 0.00 175.35 176.32 2a1x n GLY 333 N 0.73 0.29 3.09 -3.33 0.00 -1.21 0.33 105.19 105.09 2a1x n GLY 333 Ca -0.16 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 2a1x n GLY 333 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2a1x s GLU 334 N 0.00 0.65 -1.01 1.61 8.01 -1.26 -4.96 118.70 121.74 2a1x s GLU 334 Ca 0.00 -0.76 -0.23 0.00 0.01 0.00 0.00 54.97 53.99 2a1x s GLU 334 Cb 0.00 -0.54 0.02 0.00 -4.31 0.00 0.00 34.13 29.31 2a1x s GLU 334 CO 0.00 0.12 1.60 0.50 0.01 0.00 0.00 175.26 177.49 2a1x s ARG 335 N -1.44 3.33 0.00 1.61 6.06 -1.26 -4.63 118.95 122.62 2a1x s ARG 335 Ca -0.05 -0.97 0.00 0.00 -2.50 0.00 0.00 55.73 52.21 2a1x s ARG 335 Cb -0.09 -5.29 0.00 0.00 0.06 0.00 0.00 34.95 29.63 2a1x s ARG 335 CO 0.01 -2.54 0.29 2.41 -2.50 0.00 0.00 175.30 172.97 2a1x n THR 336 N 7.13 0.00 0.00 4.11 -1.04 -1.26 -4.89 114.28 118.33 2a1x n THR 336 Ca 0.36 0.71 0.00 0.00 -2.04 0.00 0.00 64.05 63.08 2a1x n THR 336 Cb 0.50 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 2a1x n THR 336 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2a1x n ASN 337 N -1.66 4.13 0.00 8.00 5.15 0.30 -5.00 115.26 126.18 2a1x n ASN 337 Ca 0.00 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.06 2a1x n ASN 337 Cb 0.00 0.18 0.48 0.00 -0.53 0.00 0.00 39.78 39.91 2a1x n ASN 337 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84