#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ly1 s PHE 50 N 0.00 3.56 0.05 0.00 5.36 -1.26 -5.06 117.98 120.63 3ly1 s PHE 50 Ca 0.00 1.58 0.04 0.00 -0.96 0.00 0.00 56.93 57.59 3ly1 s PHE 50 Cb 0.00 -3.30 -0.02 0.00 -0.34 0.00 0.00 43.02 39.35 3ly1 s PHE 50 CO 0.00 -0.70 -0.12 -0.08 -1.46 0.00 0.00 175.22 172.86 3ly1 s THR 51 N -0.33 0.88 0.36 0.12 -1.32 -1.26 -5.14 115.64 108.96 3ly1 s THR 51 Ca 0.49 -1.10 -0.28 0.00 -1.21 0.00 0.00 61.69 59.59 3ly1 s THR 51 Cb -0.30 -0.86 -0.11 0.00 -1.51 0.00 0.00 72.50 69.72 3ly1 s THR 51 CO 0.36 -0.20 1.49 0.00 -2.21 0.00 0.00 174.62 174.05 3ly1 s ALA 52 N -1.14 3.59 0.82 11.08 0.00 -1.26 -4.98 121.76 129.87 3ly1 s ALA 52 Ca -0.04 1.55 -0.12 0.00 0.00 0.00 0.00 51.96 53.36 3ly1 s ALA 52 Cb -0.09 -3.61 0.08 0.00 0.00 0.00 0.00 23.12 19.51 3ly1 s ALA 52 CO 0.01 -1.01 1.12 -1.25 0.00 0.00 0.00 175.76 174.63 3ly1 s PRO 53 N -1.83 1.90 0.32 0.00 0.04 -1.26 -5.06 135.00 129.11 3ly1 s PRO 53 Ca 0.54 0.44 0.03 0.00 0.04 0.00 0.00 61.00 62.06 3ly1 s PRO 53 Cb -0.46 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 3ly1 s PRO 53 CO 0.60 -1.71 0.14 -1.54 0.04 0.00 0.00 177.00 174.54 3ly1 s SER 54 N -4.09 1.80 0.52 6.66 1.04 -1.07 -4.84 113.70 113.72 3ly1 s SER 54 Ca 0.61 -1.55 0.25 0.00 0.48 0.00 0.00 55.95 55.74 3ly1 s SER 54 Cb -0.14 0.35 1.44 0.00 0.10 0.00 0.00 66.02 67.77 3ly1 s SER 54 CO 0.53 -0.86 2.10 0.71 0.98 0.00 0.00 173.24 176.70 3ly1 h THR 55 N 2.14 0.69 0.00 2.02 1.35 -1.86 -1.88 112.91 115.37 3ly1 h THR 55 Ca -0.35 -0.41 -0.02 0.00 -0.55 0.00 0.00 66.41 65.08 3ly1 h THR 55 Cb 1.25 1.25 -0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3ly1 h THR 55 CO 0.55 0.10 -0.22 0.44 -0.25 0.00 0.00 175.52 176.13 3ly1 h ASP 56 N 0.00 0.00 -1.86 5.36 5.19 -1.97 -3.40 116.42 119.74 3ly1 h ASP 56 Ca -0.00 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.91 3ly1 h ASP 56 Cb 0.24 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 39.38 3ly1 h ASP 56 CO 0.01 0.08 -1.11 -3.20 -3.12 0.00 0.00 179.24 171.90 3ly1 n ASN 57 N -3.06 0.27 -4.83 6.45 5.15 -0.90 -5.13 115.26 113.21 3ly1 n ASN 57 Ca 0.03 -2.89 -0.31 0.00 -0.60 0.00 0.00 54.58 50.81 3ly1 n ASN 57 Cb 0.57 -0.46 0.03 0.00 -0.53 0.00 0.00 39.78 39.38 3ly1 n ASN 57 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3ly1 s PRO 58 N -1.63 3.23 0.01 1.20 0.04 -0.76 -2.61 135.00 134.49 3ly1 s PRO 58 Ca 0.37 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 62.04 3ly1 s PRO 58 Cb 0.26 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 3ly1 s PRO 58 CO -0.10 -0.86 1.22 0.42 0.04 0.00 0.00 177.00 177.71 3ly1 s ILE 59 N -2.97 4.09 -0.49 0.56 1.01 0.81 -4.93 121.20 119.28 3ly1 s ILE 59 Ca 0.58 1.47 -0.08 0.00 0.00 0.00 0.00 60.65 62.62 3ly1 s ILE 59 Cb -0.13 -3.95 0.13 0.00 0.01 0.00 0.00 42.46 38.52 3ly1 s ILE 59 CO 0.50 0.06 0.36 -0.13 0.00 0.00 0.00 174.94 175.73 3ly1 s ARG 60 N 1.65 2.49 -0.36 2.79 0.52 -1.26 -0.94 118.95 123.84 3ly1 s ARG 60 Ca 0.58 -1.86 0.12 0.00 -0.52 0.00 0.00 55.73 54.05 3ly1 s ARG 60 Cb -0.28 -3.91 0.45 0.00 0.52 0.00 0.00 34.95 31.74 3ly1 s ARG 60 CO 0.26 -1.19 1.05 0.44 0.02 0.00 0.00 175.30 175.89 3ly1 n ILE 61 N 4.74 1.72 -0.01 1.52 -5.35 -0.18 -4.81 119.36 117.00 3ly1 n ILE 61 Ca -0.05 -3.91 0.02 0.00 -0.27 0.00 0.00 62.75 58.54 3ly1 n ILE 61 Cb 0.41 -0.23 -0.05 0.00 -1.74 0.00 0.00 39.64 38.03 3ly1 n ILE 61 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3ly1 n ASN 62 N -0.34 3.44 -0.48 7.28 6.94 -1.03 -1.67 115.26 129.40 3ly1 n ASN 62 Ca 0.24 0.00 0.05 0.00 -0.02 0.00 0.00 54.58 54.85 3ly1 n ASN 62 Cb 0.77 1.20 0.08 0.00 -2.36 0.00 0.00 39.78 39.47 3ly1 n ASN 62 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 3ly1 n PHE 63 N -1.82 0.00 -2.32 -2.53 3.72 -1.26 -4.38 117.46 108.87 3ly1 n PHE 63 Ca -0.03 -0.63 -0.13 0.00 -0.05 0.00 0.00 57.45 56.61 3ly1 n PHE 63 Cb 0.27 -0.13 -0.01 0.00 -0.94 0.00 0.00 39.48 38.67 3ly1 n PHE 63 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3ly1 n ASN 64 N -0.62 -4.05 -4.80 4.37 5.03 -1.26 -4.95 115.26 108.97 3ly1 n ASN 64 Ca 0.09 0.19 -0.34 0.00 0.87 0.00 0.00 54.58 55.40 3ly1 n ASN 64 Cb 0.73 -3.47 -0.04 0.00 -1.02 0.00 0.00 39.78 35.99 3ly1 n ASN 64 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3ly1 s GLU 65 N -4.82 3.88 0.02 3.52 2.02 -1.26 -4.88 118.70 117.18 3ly1 s GLU 65 Ca 0.00 1.28 -0.30 0.00 0.02 0.00 0.00 54.97 55.97 3ly1 s GLU 65 Cb 0.00 -2.11 -0.05 0.00 0.10 0.00 0.00 34.13 32.07 3ly1 s GLU 65 CO 0.00 -0.35 1.18 1.21 0.02 0.00 0.00 175.26 177.32 3ly1 s ASN 66 N -2.10 7.09 0.00 -0.19 3.84 -1.26 -4.88 114.94 117.44 3ly1 s ASN 66 Ca 0.66 1.93 0.29 0.00 0.21 0.00 0.00 52.86 55.94 3ly1 s ASN 66 Cb -0.14 -2.57 1.22 0.00 -0.55 0.00 0.00 41.25 39.21 3ly1 s ASN 66 CO 0.19 -0.49 1.92 -0.81 -2.79 0.00 0.00 177.10 175.12 3ly1 n PRO 67 N 4.33 0.00 0.01 0.43 -0.04 -1.26 -4.27 135.00 134.21 3ly1 n PRO 67 Ca 0.09 -0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.68 3ly1 n PRO 67 Cb 0.47 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.77 3ly1 n PRO 67 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ly1 n LEU 68 N -1.50 0.39 0.00 1.53 4.77 -1.26 -4.85 117.00 116.08 3ly1 n LEU 68 Ca 0.07 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3ly1 n LEU 68 Cb 0.34 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3ly1 n LEU 68 CO 0.27 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3ly1 n GLY 69 N 1.48 0.75 3.74 -0.72 0.00 -1.26 -5.11 105.19 104.07 3ly1 n GLY 69 Ca 0.06 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 3ly1 n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ly1 s SER 71 N -4.00 7.27 0.22 1.61 0.15 -1.26 -4.92 113.70 112.77 3ly1 s SER 71 Ca 0.00 2.15 -0.08 0.00 0.70 0.00 0.00 55.95 58.71 3ly1 s SER 71 Cb 0.00 -2.61 0.30 0.00 -1.71 0.00 0.00 66.02 62.00 3ly1 s SER 71 CO 0.00 -0.19 1.77 -0.65 1.20 0.00 0.00 173.24 175.37 3ly1 h PRO 72 N 4.70 0.54 -0.94 5.44 0.11 -1.99 0.11 132.00 139.97 3ly1 h PRO 72 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ly1 h PRO 72 Cb 1.21 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 3ly1 h PRO 72 CO 0.71 0.36 0.58 0.87 -0.21 0.00 0.00 178.00 180.30 3ly1 h LYS 73 N 0.56 1.27 -0.43 1.05 1.57 -1.99 -1.67 116.57 116.93 3ly1 h LYS 73 Ca 0.33 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 3ly1 h LYS 73 Cb 0.34 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3ly1 h LYS 73 CO -0.26 0.88 -0.17 0.00 -0.57 0.00 0.00 179.45 179.33 3ly1 h ALA 74 N 1.34 0.88 -0.46 3.86 0.00 -1.59 -1.70 119.26 121.59 3ly1 h ALA 74 Ca 0.34 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3ly1 h ALA 74 Cb -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3ly1 h ALA 74 CO -0.07 0.63 0.11 1.96 0.00 0.00 0.00 179.25 181.89 3ly1 h GLN 75 N 0.73 0.74 -0.78 0.00 4.20 -0.60 -0.47 115.11 118.93 3ly1 h GLN 75 Ca 0.11 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 3ly1 h GLN 75 Cb 0.69 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 3ly1 h GLN 75 CO 0.05 0.73 0.40 0.00 -0.67 0.00 0.00 178.83 179.34 3ly1 h ALA 76 N 0.98 1.00 -0.27 3.87 0.00 -1.17 0.12 119.26 123.79 3ly1 h ALA 76 Ca 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ly1 h ALA 76 Cb 0.32 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ly1 h ALA 76 CO 0.00 0.54 0.16 0.00 0.00 0.00 0.00 179.25 179.96 3ly1 h ALA 77 N 1.20 0.34 -0.53 0.00 0.00 -1.11 -1.20 119.26 117.97 3ly1 h ALA 77 Ca 0.27 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3ly1 h ALA 77 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ly1 h ALA 77 CO -0.04 -0.15 0.23 0.00 0.00 0.00 0.00 179.25 179.29 3ly1 h ALA 78 N 1.05 0.69 -0.36 0.00 0.00 -0.56 -1.68 119.26 118.40 3ly1 h ALA 78 Ca 0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3ly1 h ALA 78 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3ly1 h ALA 78 CO -0.02 0.29 0.04 0.00 0.00 0.00 0.00 179.25 179.56 3ly1 h ARG 79 N 0.72 0.61 0.00 0.00 3.08 -0.91 -2.99 114.38 114.89 3ly1 h ARG 79 Ca 0.18 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3ly1 h ARG 79 Cb 0.18 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 3ly1 h ARG 79 CO -0.02 0.69 -0.11 -0.44 -1.07 0.00 0.00 179.97 179.02 3ly1 h ASP 80 N 0.44 0.00 0.84 7.04 3.32 -0.98 -2.57 116.42 124.51 3ly1 h ASP 80 Ca 0.11 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3ly1 h ASP 80 Cb 0.38 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 3ly1 h ASP 80 CO 0.01 0.11 -0.12 0.00 -1.72 0.00 0.00 179.24 177.53 3ly1 h ALA 81 N 1.89 1.05 -0.79 3.45 0.00 -1.15 -3.34 119.26 120.37 3ly1 h ALA 81 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3ly1 h ALA 81 Cb 0.36 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3ly1 h ALA 81 CO 0.01 0.14 0.41 0.28 0.00 0.00 0.00 179.25 180.09 3ly1 h VAL 82 N 0.00 1.24 0.00 0.00 2.07 -1.53 -0.38 116.25 117.65 3ly1 h VAL 82 Ca -0.00 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 3ly1 h VAL 82 Cb 0.56 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3ly1 h VAL 82 CO 0.01 0.28 -0.08 1.62 0.02 0.00 0.00 177.57 179.42 3ly1 h VAL 83 N 1.10 0.60 0.00 2.57 3.04 -1.79 -2.26 116.25 119.52 3ly1 h VAL 83 Ca 0.27 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 3ly1 h VAL 83 Cb 0.07 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 3ly1 h VAL 83 CO -0.04 0.08 -0.53 0.29 -1.01 0.00 0.00 177.57 176.36 3ly1 n LYS 84 N -3.78 0.10 -0.16 4.17 5.02 -0.22 -4.39 118.16 118.90 3ly1 n LYS 84 Ca -0.02 0.03 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 3ly1 n LYS 84 Cb 0.18 -1.56 0.11 0.00 -0.02 0.00 0.00 35.03 33.75 3ly1 n LYS 84 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ly1 n ALA 85 N -1.61 2.56 0.32 7.82 0.00 -0.81 -1.98 120.51 126.81 3ly1 n ALA 85 Ca 0.05 -0.47 0.15 0.00 0.00 0.00 0.00 53.44 53.17 3ly1 n ALA 85 Cb 0.37 -0.99 0.66 0.00 0.00 0.00 0.00 19.45 19.49 3ly1 n ALA 85 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 3ly1 h ASN 86 N 1.43 0.00 -2.95 0.00 -1.07 -1.77 -3.45 115.58 107.78 3ly1 h ASN 86 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 56.30 55.76 3ly1 h ASN 86 Cb 0.46 0.00 -0.12 0.00 -2.07 0.00 0.00 38.32 36.59 3ly1 h ASN 86 CO 0.03 0.00 -0.67 -0.13 0.07 0.00 0.00 177.43 176.73 3ly1 s ARG 87 N -3.58 2.34 0.35 4.14 0.52 -0.84 -5.11 118.95 116.78 3ly1 s ARG 87 Ca 0.01 -1.12 -0.27 0.00 -0.52 0.00 0.00 55.73 53.84 3ly1 s ARG 87 Cb 0.09 -2.33 -0.09 0.00 0.52 0.00 0.00 34.95 33.14 3ly1 s ARG 87 CO 0.45 0.46 1.17 0.71 0.02 0.00 0.00 175.30 178.11 3ly1 s TYR 88 N -1.68 3.22 -0.16 -0.53 2.02 -1.26 -4.93 117.35 114.02 3ly1 s TYR 88 Ca 0.27 1.57 -0.05 0.00 -0.37 0.00 0.00 57.07 58.49 3ly1 s TYR 88 Cb -0.09 -3.40 -0.14 0.00 -0.40 0.00 0.00 41.96 37.92 3ly1 s TYR 88 CO 0.18 -1.17 3.29 0.00 -1.57 0.00 0.00 175.55 176.28 3ly1 n ALA 89 N 0.52 6.36 0.42 3.71 0.00 -1.26 -4.75 120.51 125.51 3ly1 n ALA 89 Ca 0.02 -2.23 -0.19 0.00 0.00 0.00 0.00 53.44 51.04 3ly1 n ALA 89 Cb 0.45 -2.23 -0.09 0.00 0.00 0.00 0.00 19.45 17.58 3ly1 n ALA 89 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3ly1 h LYS 90 N 2.95 -1.03 -0.20 0.00 1.57 -1.94 -0.78 116.57 117.14 3ly1 h LYS 90 Ca 0.26 0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 59.03 3ly1 h LYS 90 Cb 1.22 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.75 3ly1 h LYS 90 CO 0.46 -0.69 -0.23 -0.97 -0.57 0.00 0.00 179.45 177.45 3ly1 h ASN 91 N -1.07 0.36 -0.40 0.86 -1.24 -2.00 -2.68 115.58 109.42 3ly1 h ASN 91 Ca -0.11 -0.11 -0.09 0.00 0.71 0.00 0.00 56.30 56.70 3ly1 h ASN 91 Cb 0.83 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.76 3ly1 h ASN 91 CO 0.16 0.60 -0.08 -0.33 -1.29 0.00 0.00 177.43 176.49 3ly1 h GLU 92 N 0.33 0.83 -0.69 6.67 3.07 -1.91 -2.57 114.58 120.32 3ly1 h GLU 92 Ca 0.05 -0.27 -0.05 0.00 -0.50 0.00 0.00 59.36 58.59 3ly1 h GLU 92 Cb 0.59 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.40 3ly1 h GLU 92 CO 0.04 0.89 0.23 0.82 -1.40 0.00 0.00 179.01 179.59 3ly1 h ILE 93 N 0.76 1.25 0.00 3.13 2.04 -0.95 -0.94 117.51 122.80 3ly1 h ILE 93 Ca 0.13 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.14 3ly1 h ILE 93 Cb 0.58 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3ly1 h ILE 93 CO 0.04 0.33 0.00 0.18 0.00 0.00 0.00 178.15 178.70 3ly1 n LEU 94 N -4.33 0.00 0.00 1.44 4.77 -0.97 -1.53 117.00 116.38 3ly1 n LEU 94 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3ly1 n LEU 94 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3ly1 n LEU 94 CO 0.41 0.00 0.00 -0.11 -1.33 0.00 0.00 177.39 176.36 3ly1 n LEU 96 N 0.65 0.00 -0.18 2.23 7.94 -0.36 -1.57 117.00 125.70 3ly1 n LEU 96 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 3ly1 n LEU 96 Cb 0.00 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.00 3ly1 n LEU 96 CO 0.00 0.00 1.06 1.23 -1.11 0.00 0.00 177.39 178.57 3ly1 h GLY 97 N 0.00 0.77 1.18 -3.96 0.00 -1.54 -0.93 103.07 98.59 3ly1 h GLY 97 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 3ly1 h GLY 97 CO 0.00 0.17 -0.10 3.43 0.00 0.00 0.00 176.54 180.04 3ly1 h ASN 98 N 0.60 0.96 -0.53 0.19 2.35 -1.56 -1.31 115.58 116.29 3ly1 h ASN 98 Ca 0.23 -0.31 -0.10 0.00 -0.55 0.00 0.00 56.30 55.57 3ly1 h ASN 98 Cb 0.08 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3ly1 h ASN 98 CO -0.12 1.07 -0.03 0.50 -1.65 0.00 0.00 177.43 177.20 3ly1 h LYS 99 N 0.86 0.99 -0.18 0.81 3.64 -1.75 -1.57 116.57 119.38 3ly1 h LYS 99 Ca 0.14 -0.32 -0.13 0.00 -1.27 0.00 0.00 60.65 59.07 3ly1 h LYS 99 Cb 0.65 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 3ly1 h LYS 99 CO 0.04 0.99 -0.44 -0.07 -2.27 0.00 0.00 179.45 177.71 3ly1 h LEU 100 N 0.90 0.46 -0.23 5.20 3.38 -1.00 -1.65 115.31 122.38 3ly1 h LEU 100 Ca 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3ly1 h LEU 100 Cb 0.56 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3ly1 h LEU 100 CO 0.03 0.84 0.12 0.00 0.09 0.00 0.00 178.44 179.52 3ly1 h ALA 101 N 1.18 0.30 -0.67 1.53 0.00 -1.01 -1.35 119.26 119.24 3ly1 h ALA 101 Ca 0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ly1 h ALA 101 Cb 0.91 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3ly1 h ALA 101 CO 0.08 -0.16 0.40 0.00 0.00 0.00 0.00 179.25 179.57 3ly1 h ALA 102 N 1.00 0.85 -0.94 0.00 0.00 -1.16 -0.62 119.26 118.38 3ly1 h ALA 102 Ca 0.08 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3ly1 h ALA 102 Cb 0.09 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.55 3ly1 h ALA 102 CO -0.01 0.32 0.61 1.25 0.00 0.00 0.00 179.25 181.43 3ly1 h HIS 103 N 0.90 1.13 -0.64 0.00 6.17 -1.04 -2.32 115.15 119.36 3ly1 h HIS 103 Ca 0.24 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.35 3ly1 h HIS 103 Cb -0.03 -0.38 0.00 0.00 2.52 0.00 0.00 27.41 29.53 3ly1 h HIS 103 CO -0.02 0.63 0.00 0.72 0.71 0.00 0.00 177.93 179.98 3ly1 n HIS 104 N -4.46 0.86 -4.01 5.26 8.25 -0.53 -4.96 115.22 115.62 3ly1 n HIS 104 Ca 0.13 -0.43 -0.30 0.00 -0.26 0.00 0.00 57.72 56.86 3ly1 n HIS 104 Cb 0.13 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 3ly1 n HIS 104 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3ly1 n GLN 105 N 1.35 -2.01 -4.42 -0.41 6.02 -0.56 -4.68 117.38 112.67 3ly1 n GLN 105 Ca 0.21 0.30 -0.21 0.00 -0.01 0.00 0.00 57.00 57.28 3ly1 n GLN 105 Cb 0.54 -3.98 -0.09 0.00 1.02 0.00 0.00 30.24 27.73 3ly1 n GLN 105 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3ly1 s VAL 106 N -3.92 0.61 0.56 5.09 -7.23 -0.35 -4.69 120.40 110.47 3ly1 s VAL 106 Ca 0.14 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.31 3ly1 s VAL 106 Cb -0.06 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.38 3ly1 s VAL 106 CO 0.92 0.00 0.80 -1.61 -0.31 0.00 0.00 175.10 174.90 3ly1 s GLU 107 N -3.82 2.60 0.40 4.82 0.41 -1.26 -4.20 118.70 117.66 3ly1 s GLU 107 Ca 0.32 -0.60 0.07 0.00 -0.41 0.00 0.00 54.97 54.36 3ly1 s GLU 107 Cb 0.05 -2.44 0.84 0.00 -1.78 0.00 0.00 34.13 30.80 3ly1 s GLU 107 CO 0.16 -0.72 2.02 0.00 -0.49 0.00 0.00 175.26 176.23 3ly1 h ALA 108 N 0.01 1.65 0.00 5.21 0.00 -1.93 -1.88 119.26 122.32 3ly1 h ALA 108 Ca -0.43 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3ly1 h ALA 108 Cb 1.29 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3ly1 h ALA 108 CO 0.55 0.29 0.00 -2.30 0.00 0.00 0.00 179.25 177.79 3ly1 n PRO 109 N -4.43 0.13 -0.10 0.00 -0.02 -1.26 -1.62 135.00 127.70 3ly1 n PRO 109 Ca 0.02 0.20 0.11 0.00 -2.02 0.00 0.00 63.50 61.81 3ly1 n PRO 109 Cb 0.11 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.41 3ly1 n PRO 109 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3ly1 n SER 110 N -1.32 2.26 -4.33 2.55 7.64 -0.71 -4.30 113.62 115.42 3ly1 n SER 110 Ca 0.05 -1.80 -0.33 0.00 1.01 0.00 0.00 58.87 57.80 3ly1 n SER 110 Cb 0.09 -0.14 -0.15 0.00 -1.01 0.00 0.00 64.21 63.01 3ly1 n SER 110 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ly1 s ILE 111 N -1.73 2.72 -0.21 0.44 -1.09 -0.64 -1.84 121.20 118.85 3ly1 s ILE 111 Ca 0.34 -0.79 0.02 0.00 -2.23 0.00 0.00 60.65 57.99 3ly1 s ILE 111 Cb 0.19 -2.10 0.04 0.00 -1.58 0.00 0.00 42.46 39.01 3ly1 s ILE 111 CO 0.28 0.54 -0.14 -0.22 -1.23 0.00 0.00 174.94 174.17 3ly1 s LEU 112 N 0.23 2.58 0.21 2.97 2.96 -0.72 -4.98 118.68 121.93 3ly1 s LEU 112 Ca -0.11 -0.95 -0.30 0.00 -0.22 0.00 0.00 54.13 52.55 3ly1 s LEU 112 Cb -0.16 -1.43 -0.08 0.00 0.50 0.00 0.00 46.19 45.02 3ly1 s LEU 112 CO 0.06 -0.10 0.97 -0.76 -1.32 0.00 0.00 176.35 175.20 3ly1 s LEU 113 N 1.26 4.59 0.07 -0.68 1.43 -1.26 -0.63 118.68 123.46 3ly1 s LEU 113 Ca -0.01 1.95 -0.01 0.00 -1.03 0.00 0.00 54.13 55.03 3ly1 s LEU 113 Cb -0.16 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 3ly1 s LEU 113 CO -0.09 0.05 -0.02 0.42 0.23 0.00 0.00 176.35 176.94 3ly1 s THR 114 N -0.80 0.23 -1.12 5.49 -4.23 -0.05 -4.72 115.64 110.44 3ly1 s THR 114 Ca 0.43 -1.83 -0.19 0.00 -1.18 0.00 0.00 61.69 58.92 3ly1 s THR 114 Cb -0.26 -1.62 0.10 0.00 1.34 0.00 0.00 72.50 72.06 3ly1 s THR 114 CO 0.32 -0.90 1.46 0.00 -0.54 0.00 0.00 174.62 174.97 3ly1 s ALA 115 N -3.93 3.30 0.23 3.99 0.00 -1.26 -0.63 121.76 123.46 3ly1 s ALA 115 Ca 0.10 -2.79 0.00 0.00 0.00 0.00 0.00 51.96 49.27 3ly1 s ALA 115 Cb 0.08 -4.38 0.00 0.00 0.00 0.00 0.00 23.12 18.82 3ly1 s ALA 115 CO -0.08 -3.22 0.00 0.41 0.00 0.00 0.00 175.76 172.88 3ly1 n GLY 116 N 5.58 -2.50 0.06 0.00 0.00 -1.20 -4.01 105.19 103.11 3ly1 n GLY 116 Ca 0.37 -1.31 0.11 0.00 0.00 0.00 0.00 46.02 45.19 3ly1 n GLY 116 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ly1 n SER 117 N -3.16 0.36 -0.23 1.61 3.41 -1.26 -3.05 113.62 111.30 3ly1 n SER 117 Ca -0.03 0.56 0.01 0.00 -0.26 0.00 0.00 58.87 59.16 3ly1 n SER 117 Cb 0.28 -0.65 0.13 0.00 -0.26 0.00 0.00 64.21 63.72 3ly1 n SER 117 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3ly1 h SER 118 N 0.00 0.35 0.61 4.04 0.02 -1.95 -0.36 113.55 116.26 3ly1 h SER 118 Ca 0.00 0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 3ly1 h SER 118 Cb 0.45 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 3ly1 h SER 118 CO 0.00 0.20 -0.56 -0.33 -1.14 0.00 0.00 176.83 174.99 3ly1 h GLU 119 N 0.51 0.00 -0.67 3.45 4.39 -1.67 -2.64 114.58 117.95 3ly1 h GLU 119 Ca 0.34 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.00 3ly1 h GLU 119 Cb 0.40 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 3ly1 h GLU 119 CO -0.30 0.56 0.26 0.78 -1.16 0.00 0.00 179.01 179.15 3ly1 h GLY 120 N 1.79 1.08 0.83 -3.84 0.00 -1.39 -0.73 103.07 100.81 3ly1 h GLY 120 Ca -0.01 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.71 3ly1 h GLY 120 CO 0.07 0.56 0.03 -2.22 0.00 0.00 0.00 176.54 174.99 3ly1 h ILE 121 N 0.95 1.22 -0.13 2.60 2.04 -0.95 0.00 117.51 123.23 3ly1 h ILE 121 Ca 0.22 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.43 3ly1 h ILE 121 Cb 0.22 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 3ly1 h ILE 121 CO -0.02 0.21 -0.15 -0.09 0.00 0.00 0.00 178.15 178.10 3ly1 h ARG 122 N 0.07 -0.18 -0.73 2.37 2.43 -1.39 -1.31 114.38 115.64 3ly1 h ARG 122 Ca 0.05 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 3ly1 h ARG 122 Cb 0.29 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 3ly1 h ARG 122 CO 0.00 -0.12 0.22 0.00 -1.51 0.00 0.00 179.97 178.56 3ly1 h ALA 123 N 0.88 0.96 -0.29 2.80 0.00 -0.97 0.44 119.26 123.07 3ly1 h ALA 123 Ca 0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ly1 h ALA 123 Cb 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ly1 h ALA 123 CO -0.24 0.65 0.17 0.00 0.00 0.00 0.00 179.25 179.83 3ly1 h ALA 124 N 1.11 0.36 -0.30 0.00 0.00 -0.83 -0.15 119.26 119.45 3ly1 h ALA 124 Ca 0.23 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3ly1 h ALA 124 Cb 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ly1 h ALA 124 CO -0.01 -0.14 -0.04 0.82 0.00 0.00 0.00 179.25 179.89 3ly1 h ILE 125 N 0.37 1.27 -0.68 0.00 1.08 -0.87 -2.91 117.51 115.77 3ly1 h ILE 125 Ca 0.10 -1.04 -0.03 0.00 -0.39 0.00 0.00 64.86 63.51 3ly1 h ILE 125 Cb 0.01 1.34 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 3ly1 h ILE 125 CO -0.02 0.33 0.32 -0.33 -0.69 0.00 0.00 178.15 177.76 3ly1 h GLU 126 N 0.34 0.97 -0.14 2.37 5.08 -0.76 0.13 114.58 122.56 3ly1 h GLU 126 Ca 0.08 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3ly1 h GLU 126 Cb 0.50 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3ly1 h GLU 126 CO 0.02 0.76 -0.19 0.00 -1.00 0.00 0.00 179.01 178.60 3ly1 h ALA 127 N 1.38 1.42 -0.12 3.43 0.00 -0.91 -3.21 119.26 121.25 3ly1 h ALA 127 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ly1 h ALA 127 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ly1 h ALA 127 CO -0.03 0.41 0.00 0.66 0.00 0.00 0.00 179.25 180.29 3ly1 n TYR 128 N -4.22 0.16 -2.57 0.00 4.01 -1.00 -5.02 117.16 108.52 3ly1 n TYR 128 Ca -0.01 -0.25 -0.37 0.00 -0.16 0.00 0.00 57.90 57.11 3ly1 n TYR 128 Cb 0.31 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.28 3ly1 n TYR 128 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ly1 s ALA 129 N -0.82 3.10 0.22 -0.72 0.00 -0.00 -4.95 121.76 118.60 3ly1 s ALA 129 Ca 0.12 0.68 -0.16 0.00 0.00 0.00 0.00 51.96 52.61 3ly1 s ALA 129 Cb 0.07 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.94 3ly1 s ALA 129 CO 0.10 -0.17 0.52 -1.54 0.00 0.00 0.00 175.76 174.67 3ly1 s SER 130 N -1.57 -0.18 0.48 0.00 1.04 -1.26 -4.99 113.70 107.23 3ly1 s SER 130 Ca 0.57 -0.69 0.33 0.00 0.48 0.00 0.00 55.95 56.64 3ly1 s SER 130 Cb -0.22 0.59 1.53 0.00 0.10 0.00 0.00 66.02 68.02 3ly1 s SER 130 CO 0.27 -1.12 1.98 -0.07 0.98 0.00 0.00 173.24 175.28 3ly1 h LEU 131 N 2.22 0.00 0.00 2.42 3.38 -1.88 -2.40 115.31 119.04 3ly1 h LEU 131 Ca -0.27 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3ly1 h LEU 131 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3ly1 h LEU 131 CO 0.35 0.00 -0.58 1.05 0.09 0.00 0.00 178.44 179.36 3ly1 h GLU 132 N 0.00 0.00 -7.09 1.13 4.11 -1.95 -3.44 114.58 107.34 3ly1 h GLU 132 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 58.97 3ly1 h GLU 132 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3ly1 h GLU 132 CO 0.00 0.24 0.36 0.00 0.07 0.00 0.00 179.01 179.68 3ly1 s ALA 133 N -3.09 2.97 0.11 1.06 0.00 -0.91 -4.38 121.76 117.52 3ly1 s ALA 133 Ca 0.03 0.45 0.09 0.00 0.00 0.00 0.00 51.96 52.53 3ly1 s ALA 133 Cb 0.07 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 3ly1 s ALA 133 CO 0.74 -0.11 -0.21 1.14 0.00 0.00 0.00 175.76 177.32 3ly1 s GLN 134 N -3.34 1.70 -0.20 0.00 -2.07 -0.60 -2.73 119.66 112.43 3ly1 s GLN 134 Ca 0.64 -1.20 -0.09 0.00 -1.82 0.00 0.00 55.36 52.88 3ly1 s GLN 134 Cb -0.12 -2.05 -0.05 0.00 -1.09 0.00 0.00 33.01 29.70 3ly1 s GLN 134 CO 0.19 0.48 0.12 -1.17 -1.32 0.00 0.00 175.29 173.58 3ly1 s LEU 135 N -1.99 4.07 -0.24 2.60 2.96 0.06 -0.88 118.68 125.27 3ly1 s LEU 135 Ca 0.16 0.16 -0.06 0.00 -0.22 0.00 0.00 54.13 54.17 3ly1 s LEU 135 Cb -0.10 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 3ly1 s LEU 135 CO 0.08 0.15 0.03 -0.69 -1.32 0.00 0.00 176.35 174.60 3ly1 s VAL 136 N 0.51 3.96 0.04 1.68 1.01 0.57 -0.22 120.40 127.93 3ly1 s VAL 136 Ca 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 3ly1 s VAL 136 Cb -0.12 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 3ly1 s VAL 136 CO -0.00 0.37 0.02 0.27 0.00 0.00 0.00 175.10 175.76 3ly1 s ILE 137 N 1.52 0.15 0.61 2.22 -4.36 -0.75 -2.30 121.20 118.30 3ly1 s ILE 137 Ca 0.06 -1.25 -0.19 0.00 -0.26 0.00 0.00 60.65 59.01 3ly1 s ILE 137 Cb -0.15 -0.88 -0.03 0.00 1.25 0.00 0.00 42.46 42.65 3ly1 s ILE 137 CO 0.01 -0.69 1.27 -2.84 0.24 0.00 0.00 174.94 172.93 3ly1 s PRO 138 N -2.64 2.80 0.38 0.37 0.02 -1.26 -0.76 135.00 133.91 3ly1 s PRO 138 Ca -0.05 2.00 0.12 0.00 0.02 0.00 0.00 61.00 63.10 3ly1 s PRO 138 Cb -0.01 -1.94 0.76 0.00 0.02 0.00 0.00 34.50 33.33 3ly1 s PRO 138 CO -0.05 -1.39 1.86 1.05 -0.33 0.00 0.00 177.00 178.14 3ly1 h GLU 139 N 0.82 0.03 -4.39 5.54 4.11 -1.47 -3.38 114.58 115.85 3ly1 h GLU 139 Ca -0.51 -0.01 -0.66 0.00 0.07 0.00 0.00 59.36 58.25 3ly1 h GLU 139 Cb 1.32 -0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.17 3ly1 h GLU 139 CO 0.54 0.35 -0.66 -1.17 0.07 0.00 0.00 179.01 178.15 3ly1 s LEU 140 N -8.32 4.80 0.00 3.06 2.96 -1.26 -4.79 118.68 115.13 3ly1 s LEU 140 Ca -0.03 -2.31 -0.04 0.00 -0.22 0.00 0.00 54.13 51.52 3ly1 s LEU 140 Cb 0.15 -1.68 0.02 0.00 0.50 0.00 0.00 46.19 45.18 3ly1 s LEU 140 CO 0.72 -0.38 0.25 1.07 -1.32 0.00 0.00 176.35 176.69 3ly1 n THR 141 N 4.08 0.00 -2.23 3.68 5.66 -1.26 -4.72 114.28 119.48 3ly1 n THR 141 Ca 0.03 -0.36 -0.42 0.00 -3.05 0.00 0.00 64.05 60.24 3ly1 n THR 141 Cb 0.40 0.34 -0.03 0.00 -1.55 0.00 0.00 70.33 69.49 3ly1 n THR 141 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 3ly1 s TYR 142 N -6.42 2.81 -1.02 1.09 5.04 -0.73 -4.68 117.35 113.44 3ly1 s TYR 142 Ca 0.06 0.81 0.22 0.00 -2.44 0.00 0.00 57.07 55.71 3ly1 s TYR 142 Cb -0.01 -3.66 0.93 0.00 0.35 0.00 0.00 41.96 39.57 3ly1 s TYR 142 CO 0.04 -2.43 1.70 0.41 -1.34 0.00 0.00 175.55 173.93 3ly1 n GLY 143 N 3.66 -1.24 0.28 8.97 0.00 -1.26 -3.82 105.19 111.78 3ly1 n GLY 143 Ca 0.13 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.10 3ly1 n GLY 143 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ly1 h ASP 144 N 0.00 0.43 0.30 1.61 5.19 -1.99 -1.73 116.42 120.22 3ly1 h ASP 144 Ca 0.00 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 3ly1 h ASP 144 Cb 0.37 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.77 3ly1 h ASP 144 CO 0.00 0.44 -0.14 1.23 -3.12 0.00 0.00 179.24 177.65 3ly1 h GLY 145 N 0.70 -0.42 0.52 2.75 0.00 -1.95 -2.22 103.07 102.46 3ly1 h GLY 145 Ca 0.11 0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.67 3ly1 h GLY 145 CO -0.00 -0.15 0.31 -2.09 0.00 0.00 0.00 176.54 174.61 3ly1 h GLU 146 N -0.45 0.54 0.02 4.80 4.81 -1.77 -0.07 114.58 122.46 3ly1 h GLU 146 Ca -0.04 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3ly1 h GLU 146 Cb 0.34 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 3ly1 h GLU 146 CO 0.07 0.36 -0.23 1.25 -0.73 0.00 0.00 179.01 179.72 3ly1 h HIS 147 N 0.55 -0.62 0.00 0.92 2.76 -1.19 0.13 115.15 117.70 3ly1 h HIS 147 Ca 0.31 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.38 3ly1 h HIS 147 Cb 0.31 0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.52 3ly1 h HIS 147 CO -0.12 -0.32 -0.57 0.74 -1.30 0.00 0.00 177.93 176.36 3ly1 h PHE 148 N -0.38 0.00 -0.55 5.26 0.04 -1.26 -2.57 116.94 117.47 3ly1 h PHE 148 Ca 0.05 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 3ly1 h PHE 148 Cb 0.45 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 3ly1 h PHE 148 CO -0.26 0.57 0.03 0.00 -0.60 0.00 0.00 178.31 178.04 3ly1 h ALA 149 N 1.43 0.74 -0.58 2.45 0.00 -0.55 -1.80 119.26 120.95 3ly1 h ALA 149 Ca -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3ly1 h ALA 149 Cb 1.10 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3ly1 h ALA 149 CO 0.07 0.54 0.24 0.87 0.00 0.00 0.00 179.25 180.97 3ly1 h LYS 150 N 0.84 0.86 -0.92 0.00 1.57 -0.69 -2.24 116.57 116.00 3ly1 h LYS 150 Ca 0.16 -0.15 0.09 0.00 -1.87 0.00 0.00 60.65 58.88 3ly1 h LYS 150 Cb 0.50 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.60 3ly1 h LYS 150 CO 0.02 0.74 0.56 0.82 -0.57 0.00 0.00 179.45 181.02 3ly1 h ILE 151 N 0.80 0.96 0.00 1.86 2.04 -1.31 -0.96 117.51 120.89 3ly1 h ILE 151 Ca 0.19 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3ly1 h ILE 151 Cb 0.19 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 3ly1 h ILE 151 CO -0.02 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.31 3ly1 n ALA 152 N -2.36 2.08 -1.59 1.87 0.00 -0.69 -5.12 120.51 114.70 3ly1 n ALA 152 Ca 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 53.44 53.50 3ly1 n ALA 152 Cb 0.27 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.38 3ly1 n ALA 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ly1 n GLY 153 N 0.49 -1.78 3.82 0.00 0.00 -0.37 -4.59 105.19 102.77 3ly1 n GLY 153 Ca 0.09 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3ly1 n GLY 153 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ly1 s LYS 155 N -0.63 3.76 -0.22 1.61 2.20 -1.10 -4.84 119.74 120.52 3ly1 s LYS 155 Ca 0.01 -0.13 -0.01 0.00 -0.36 0.00 0.00 55.97 55.48 3ly1 s LYS 155 Cb -0.00 -3.28 0.02 0.00 -1.51 0.00 0.00 37.83 33.05 3ly1 s LYS 155 CO 0.05 0.58 -0.10 0.08 -0.36 0.00 0.00 175.35 175.60 3ly1 s VAL 156 N -0.47 2.71 -0.38 4.02 1.01 -1.26 -0.76 120.40 125.27 3ly1 s VAL 156 Ca 0.13 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 3ly1 s VAL 156 Cb -0.12 -2.27 0.08 0.00 0.00 0.00 0.00 36.38 34.06 3ly1 s VAL 156 CO 0.02 0.36 0.16 -0.89 0.00 0.00 0.00 175.10 174.75 3ly1 s THR 157 N 1.34 3.56 -0.15 3.92 2.01 0.69 -4.95 115.64 122.06 3ly1 s THR 157 Ca 0.03 -1.59 -0.11 0.00 0.31 0.00 0.00 61.69 60.33 3ly1 s THR 157 Cb -0.15 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 3ly1 s THR 157 CO -0.07 -0.44 0.22 -0.54 -0.69 0.00 0.00 174.62 173.10 3ly1 s LYS 158 N 1.28 4.02 -0.22 4.92 1.02 -1.26 -1.80 119.74 127.70 3ly1 s LYS 158 Ca 0.02 -0.03 -0.06 0.00 0.02 0.00 0.00 55.97 55.93 3ly1 s LYS 158 Cb -0.22 -3.35 -0.02 0.00 -0.52 0.00 0.00 37.83 33.72 3ly1 s LYS 158 CO -0.01 0.42 0.02 0.08 -0.92 0.00 0.00 175.35 174.95 3ly1 s VAL 159 N -0.05 4.05 0.00 3.17 1.01 0.06 -4.85 120.40 123.79 3ly1 s VAL 159 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.85 3ly1 s VAL 159 Cb -0.12 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3ly1 s VAL 159 CO 0.03 0.40 0.00 1.17 0.00 0.00 0.00 175.10 176.70 3ly1 n LYS 160 N 4.46 3.29 -3.66 2.72 4.81 -1.26 -1.20 118.16 127.31 3ly1 n LYS 160 Ca -0.17 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.07 3ly1 n LYS 160 Cb 0.52 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.54 3ly1 n LYS 160 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3ly1 s LEU 162 N 0.00 3.60 0.00 3.14 1.43 -0.41 -4.40 118.68 122.04 3ly1 s LEU 162 Ca 0.00 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.65 3ly1 s LEU 162 Cb 0.00 -2.27 0.30 0.00 0.03 0.00 0.00 46.19 44.25 3ly1 s LEU 162 CO 0.00 -0.46 1.13 -0.90 0.23 0.00 0.00 176.35 176.35 3ly1 n ASP 163 N -1.48 0.00 -1.04 2.29 5.68 -1.26 -0.55 116.55 120.19 3ly1 n ASP 163 Ca 0.00 0.35 0.08 0.00 -0.50 0.00 0.00 54.79 54.72 3ly1 n ASP 163 Cb 0.60 -0.39 0.27 0.00 -1.14 0.00 0.00 41.12 40.46 3ly1 n ASP 163 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3ly1 n ASN 164 N -1.39 4.03 0.00 -1.12 6.94 -1.26 -4.97 115.26 117.49 3ly1 n ASN 164 Ca 0.02 -2.76 0.00 0.00 -0.02 0.00 0.00 54.58 51.82 3ly1 n ASN 164 Cb 0.06 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 36.97 3ly1 n ASN 164 CO 0.00 0.00 0.00 0.79 -1.03 0.00 0.00 177.26 177.02 3ly1 n TRP 165 N -0.02 0.00 -1.80 -2.53 7.02 0.29 -5.02 117.44 115.37 3ly1 n TRP 165 Ca 0.21 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.38 3ly1 n TRP 165 Cb 0.85 -0.85 0.02 0.00 -2.42 0.00 0.00 31.31 28.91 3ly1 n TRP 165 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3ly1 s ALA 166 N -1.85 2.97 0.34 6.99 0.00 -1.26 -4.77 121.76 124.19 3ly1 s ALA 166 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 51.96 51.59 3ly1 s ALA 166 Cb 0.00 -3.10 -0.11 0.00 0.00 0.00 0.00 23.12 19.92 3ly1 s ALA 166 CO 0.00 -0.88 1.47 -0.06 0.00 0.00 0.00 175.76 176.30 3ly1 s PHE 167 N -3.17 2.73 -1.10 0.00 0.40 -1.26 -1.29 117.98 114.28 3ly1 s PHE 167 Ca 0.56 1.12 -0.16 0.00 -0.60 0.00 0.00 56.93 57.86 3ly1 s PHE 167 Cb -0.12 -3.96 0.16 0.00 0.51 0.00 0.00 43.02 39.61 3ly1 s PHE 167 CO 0.54 -2.90 1.32 0.34 0.70 0.00 0.00 175.22 175.22 3ly1 s ASP 168 N -0.03 6.90 0.24 1.36 2.15 -1.26 -4.69 116.67 121.34 3ly1 s ASP 168 Ca 0.55 -2.64 -0.06 0.00 0.43 0.00 0.00 52.55 50.83 3ly1 s ASP 168 Cb -0.45 -2.40 0.28 0.00 -0.30 0.00 0.00 42.92 40.05 3ly1 s ASP 168 CO 0.57 -0.86 1.88 0.40 -0.17 0.00 0.00 175.17 176.99 3ly1 h ILE 169 N 5.10 1.14 -0.80 4.11 1.08 -1.96 -0.90 117.51 125.28 3ly1 h ILE 169 Ca 0.26 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 3ly1 h ILE 169 Cb 0.93 -0.07 -0.04 0.00 -3.07 0.00 0.00 36.82 34.57 3ly1 h ILE 169 CO 1.19 0.20 0.47 -0.33 -0.69 0.00 0.00 178.15 178.99 3ly1 h GLU 170 N 1.11 1.09 -0.70 2.37 4.39 -1.98 0.30 114.58 121.16 3ly1 h GLU 170 Ca 0.36 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.89 3ly1 h GLU 170 Cb 0.02 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.42 3ly1 h GLU 170 CO -0.12 0.77 0.16 0.78 -1.16 0.00 0.00 179.01 179.43 3ly1 h GLY 171 N 1.12 1.22 0.87 -3.84 0.00 -1.71 -1.11 103.07 99.63 3ly1 h GLY 171 Ca 0.29 -0.78 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 3ly1 h GLY 171 CO -0.05 0.72 -0.00 1.41 0.00 0.00 0.00 176.54 178.62 3ly1 h LEU 172 N 1.06 0.50 -0.53 3.11 3.38 -0.75 -1.39 115.31 120.69 3ly1 h LEU 172 Ca 0.22 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.93 3ly1 h LEU 172 Cb 0.39 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3ly1 h LEU 172 CO 0.01 0.69 0.25 0.11 0.09 0.00 0.00 178.44 179.58 3ly1 h LYS 173 N 0.29 0.47 -0.46 1.13 1.57 -0.85 -2.44 116.57 116.27 3ly1 h LYS 173 Ca 0.08 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3ly1 h LYS 173 Cb 0.43 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3ly1 h LYS 173 CO 0.02 0.31 0.04 0.00 -0.57 0.00 0.00 179.45 179.25 3ly1 h ALA 174 N 1.31 1.20 -0.70 3.86 0.00 -1.04 -1.01 119.26 122.89 3ly1 h ALA 174 Ca 0.24 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3ly1 h ALA 174 Cb 0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3ly1 h ALA 174 CO -0.19 0.53 0.18 0.00 0.00 0.00 0.00 179.25 179.77 3ly1 h ALA 175 N 1.35 1.01 -0.13 0.00 0.00 -0.94 -0.34 119.26 120.20 3ly1 h ALA 175 Ca 0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3ly1 h ALA 175 Cb 0.37 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ly1 h ALA 175 CO 0.01 0.65 -0.17 0.28 0.00 0.00 0.00 179.25 180.03 3ly1 h VAL 176 N 1.05 1.36 -0.07 0.00 2.07 -1.20 -3.26 116.25 116.19 3ly1 h VAL 176 Ca 0.22 -1.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 3ly1 h VAL 176 Cb 0.34 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 3ly1 h VAL 176 CO -0.00 0.40 -0.15 0.00 0.02 0.00 0.00 177.57 177.84 3ly1 h ALA 177 N 0.58 1.63 -0.00 1.67 0.00 -1.03 -2.36 119.26 119.75 3ly1 h ALA 177 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ly1 h ALA 177 Cb 0.72 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3ly1 h ALA 177 CO 0.04 0.28 -0.07 0.00 0.00 0.00 0.00 179.25 179.49 3ly1 n ALA 178 N -2.50 2.55 -3.21 0.00 0.00 -0.15 -4.77 120.51 112.44 3ly1 n ALA 178 Ca -0.02 -0.16 -0.37 0.00 0.00 0.00 0.00 53.44 52.90 3ly1 n ALA 178 Cb 0.25 -1.42 -0.13 0.00 0.00 0.00 0.00 19.45 18.15 3ly1 n ALA 178 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3ly1 s TYR 179 N -2.87 3.11 0.07 0.00 5.04 -0.89 -4.99 117.35 116.82 3ly1 s TYR 179 Ca 0.18 -0.87 0.33 0.00 -2.44 0.00 0.00 57.07 54.27 3ly1 s TYR 179 Cb 0.19 -2.23 1.40 0.00 0.35 0.00 0.00 41.96 41.67 3ly1 s TYR 179 CO 0.53 -0.53 1.98 0.66 -1.34 0.00 0.00 175.55 176.85 3ly1 h SER 180 N 8.21 0.00 -3.43 4.32 4.64 -1.86 -3.45 113.55 121.99 3ly1 h SER 180 Ca -0.34 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.87 3ly1 h SER 180 Cb 1.14 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.26 3ly1 h SER 180 CO 0.60 0.00 0.04 0.61 -0.87 0.00 0.00 176.83 177.21 3ly1 n GLY 181 N -0.06 0.24 3.77 -0.77 0.00 -1.26 -5.05 105.19 102.06 3ly1 n GLY 181 Ca 0.00 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 3ly1 n GLY 181 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ly1 s PRO 182 N -3.17 3.79 0.01 1.61 0.04 -1.26 -4.92 135.00 131.10 3ly1 s PRO 182 Ca 0.16 1.84 0.05 0.00 0.04 0.00 0.00 61.00 63.08 3ly1 s PRO 182 Cb -0.01 -2.47 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 3ly1 s PRO 182 CO 0.11 -0.54 -0.15 -1.12 0.04 0.00 0.00 177.00 175.34 3ly1 s SER 183 N -1.25 1.75 -0.12 6.66 0.01 -0.30 -1.56 113.70 118.89 3ly1 s SER 183 Ca 0.62 -0.34 -0.01 0.00 1.31 0.00 0.00 55.95 57.53 3ly1 s SER 183 Cb -0.30 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 65.74 3ly1 s SER 183 CO 0.37 0.13 -0.10 -0.63 0.41 0.00 0.00 173.24 173.42 3ly1 s ILE 184 N -0.53 3.36 -0.17 1.44 1.01 -0.06 -4.18 121.20 122.06 3ly1 s ILE 184 Ca 0.04 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.11 3ly1 s ILE 184 Cb -0.07 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 3ly1 s ILE 184 CO 0.00 0.53 -0.08 -0.69 0.00 0.00 0.00 174.94 174.70 3ly1 s VAL 185 N 0.15 3.31 -0.26 2.92 1.01 -1.26 -0.32 120.40 125.95 3ly1 s VAL 185 Ca -0.05 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 3ly1 s VAL 185 Cb -0.15 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.82 3ly1 s VAL 185 CO 0.04 0.48 -0.05 -0.47 0.00 0.00 0.00 175.10 175.10 3ly1 s TYR 186 N 0.81 3.13 -0.26 5.22 5.04 -0.97 -0.45 117.35 129.87 3ly1 s TYR 186 Ca -0.03 -1.68 0.03 0.00 -2.44 0.00 0.00 57.07 52.95 3ly1 s TYR 186 Cb -0.15 -2.06 0.06 0.00 0.35 0.00 0.00 41.96 40.16 3ly1 s TYR 186 CO 0.01 -0.76 -0.10 -0.51 -1.34 0.00 0.00 175.55 172.86 3ly1 s LEU 187 N 1.29 3.39 -0.17 6.97 1.43 -0.04 -4.63 118.68 126.93 3ly1 s LEU 187 Ca -0.02 -1.40 -0.16 0.00 -1.03 0.00 0.00 54.13 51.52 3ly1 s LEU 187 Cb -0.18 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3ly1 s LEU 187 CO -0.04 -0.20 0.37 -0.69 0.23 0.00 0.00 176.35 176.02 3ly1 s VAL 188 N 1.13 5.24 -0.28 -1.59 1.01 -1.26 -0.85 120.40 123.80 3ly1 s VAL 188 Ca -0.08 0.69 0.01 0.00 0.00 0.00 0.00 61.98 62.61 3ly1 s VAL 188 Cb -0.20 -3.71 0.16 0.00 0.00 0.00 0.00 36.38 32.63 3ly1 s VAL 188 CO -0.05 0.32 0.42 0.21 0.00 0.00 0.00 175.10 176.01 3ly1 s ASN 189 N 0.72 0.13 0.48 3.32 2.47 -0.58 -2.93 114.94 118.55 3ly1 s ASN 189 Ca 0.19 -0.15 -0.24 0.00 0.42 0.00 0.00 52.86 53.09 3ly1 s ASN 189 Cb -0.14 1.22 -0.07 0.00 -1.45 0.00 0.00 41.25 40.82 3ly1 s ASN 189 CO 0.07 -0.33 1.37 -2.84 -3.72 0.00 0.00 177.10 171.64 3ly1 s PRO 190 N 2.58 3.51 0.49 0.43 0.02 -1.26 -4.29 135.00 136.49 3ly1 s PRO 190 Ca 0.11 2.28 -0.21 0.00 0.02 0.00 0.00 61.00 63.20 3ly1 s PRO 190 Cb -0.13 -2.50 -0.08 0.00 0.02 0.00 0.00 34.50 31.81 3ly1 s PRO 190 CO -0.26 -0.91 1.08 1.21 -0.33 0.00 0.00 177.00 177.79 3ly1 s ASN 191 N -0.76 6.20 -0.18 2.53 2.47 0.22 -4.75 114.94 120.68 3ly1 s ASN 191 Ca 0.65 2.05 0.01 0.00 0.42 0.00 0.00 52.86 55.99 3ly1 s ASN 191 Cb -0.41 -2.57 0.02 0.00 -1.45 0.00 0.00 41.25 36.84 3ly1 s ASN 191 CO 0.51 -0.88 -0.20 0.21 -3.72 0.00 0.00 177.10 173.02 3ly1 s ASN 192 N -1.80 3.16 0.00 -4.21 2.47 -1.26 -0.82 114.94 112.48 3ly1 s ASN 192 Ca 0.67 -0.64 0.21 0.00 0.42 0.00 0.00 52.86 53.53 3ly1 s ASN 192 Cb -0.20 -1.48 -0.12 0.00 -1.45 0.00 0.00 41.25 38.00 3ly1 s ASN 192 CO 0.24 0.01 0.96 -0.81 -3.72 0.00 0.00 177.10 173.79 3ly1 n PRO 193 N 4.56 0.75 0.14 0.43 -0.04 -1.26 -1.78 135.00 137.80 3ly1 n PRO 193 Ca -0.21 -0.49 -0.01 0.00 -0.04 0.00 0.00 63.50 62.76 3ly1 n PRO 193 Cb 0.50 -1.46 0.20 0.00 -0.04 0.00 0.00 33.50 32.70 3ly1 n PRO 193 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3ly1 h THR 194 N 1.18 1.40 0.00 0.52 1.35 -1.90 -3.39 112.91 112.08 3ly1 h THR 194 Ca 0.00 -2.01 0.00 0.00 -0.55 0.00 0.00 66.41 63.85 3ly1 h THR 194 Cb 0.61 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 3ly1 h THR 194 CO 0.00 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 3ly1 n GLY 195 N 0.18 1.16 3.90 5.82 0.00 0.00 -4.19 105.19 112.06 3ly1 n GLY 195 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 3ly1 n GLY 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ly1 s THR 196 N -3.44 4.91 0.16 2.61 -4.23 -1.23 -1.05 115.64 113.37 3ly1 s THR 196 Ca 0.00 0.21 0.04 0.00 -1.18 0.00 0.00 61.69 60.76 3ly1 s THR 196 Cb 0.00 -3.85 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 3ly1 s THR 196 CO 0.00 -0.78 0.23 0.27 -0.54 0.00 0.00 174.62 173.80 3ly1 s ILE 197 N -2.65 4.97 -0.23 2.99 -5.25 -1.26 -0.61 121.20 119.15 3ly1 s ILE 197 Ca 0.47 -0.88 -0.09 0.00 -0.99 0.00 0.00 60.65 59.17 3ly1 s ILE 197 Cb -0.10 -3.56 -0.04 0.00 2.95 0.00 0.00 42.46 41.71 3ly1 s ILE 197 CO 0.42 -0.12 0.12 -0.89 -1.79 0.00 0.00 174.94 172.68 3ly1 s THR 198 N -1.77 4.97 0.34 8.37 2.01 -1.26 -4.99 115.64 123.31 3ly1 s THR 198 Ca 0.33 0.05 -0.27 0.00 0.31 0.00 0.00 61.69 62.10 3ly1 s THR 198 Cb -0.10 -3.31 -0.13 0.00 0.01 0.00 0.00 72.50 68.97 3ly1 s THR 198 CO 0.26 0.36 1.13 -2.65 -0.69 0.00 0.00 174.62 173.04 3ly1 n PRO 199 N 4.30 1.69 0.11 4.92 -0.02 -1.26 -4.76 135.00 139.98 3ly1 n PRO 199 Ca -0.16 0.60 0.10 0.00 -2.02 0.00 0.00 63.50 62.02 3ly1 n PRO 199 Cb 0.52 -2.09 0.58 0.00 -0.02 0.00 0.00 33.50 32.49 3ly1 n PRO 199 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ly1 h ALA 200 N 2.14 2.03 0.00 3.55 0.00 -0.98 -1.96 119.26 124.04 3ly1 h ALA 200 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3ly1 h ALA 200 Cb 1.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3ly1 h ALA 200 CO 0.61 -0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.38 3ly1 n ASP 201 N -4.49 0.00 -0.05 0.00 5.68 -1.26 -0.79 116.55 115.64 3ly1 n ASP 201 Ca 0.02 0.20 -0.21 0.00 -0.50 0.00 0.00 54.79 54.30 3ly1 n ASP 201 Cb 0.21 -0.38 -0.13 0.00 -1.14 0.00 0.00 41.12 39.68 3ly1 n ASP 201 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 3ly1 n VAL 202 N -1.38 1.67 -0.04 2.12 0.31 -0.75 -4.50 118.33 115.76 3ly1 n VAL 202 Ca 0.08 -0.56 -0.15 0.00 -0.01 0.00 0.00 64.34 63.70 3ly1 n VAL 202 Cb 0.21 -1.69 -0.13 0.00 -0.91 0.00 0.00 33.84 31.33 3ly1 n VAL 202 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3ly1 h ILE 203 N -0.10 1.69 -0.66 2.52 2.04 -1.36 -3.37 117.51 118.27 3ly1 h ILE 203 Ca -0.47 -2.23 0.08 0.00 1.00 0.00 0.00 64.86 63.23 3ly1 h ILE 203 Cb 1.91 3.18 -0.06 0.00 -0.74 0.00 0.00 36.82 41.11 3ly1 h ILE 203 CO -0.01 0.59 0.34 -0.33 0.00 0.00 0.00 178.15 178.74 3ly1 h GLU 204 N -0.79 0.58 0.00 2.37 5.08 -1.23 -2.02 114.58 118.59 3ly1 h GLU 204 Ca -0.03 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 3ly1 h GLU 204 Cb 1.07 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 3ly1 h GLU 204 CO 0.03 0.39 -0.54 -1.35 -1.00 0.00 0.00 179.01 176.54 3ly1 h PRO 205 N 0.60 0.00 -0.15 2.33 0.11 -1.79 0.92 132.00 134.03 3ly1 h PRO 205 Ca 0.31 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.42 3ly1 h PRO 205 Cb 0.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 3ly1 h PRO 205 CO -0.23 0.54 0.09 2.35 -0.21 0.00 0.00 178.00 180.54 3ly1 h TRP 206 N 0.00 0.20 -0.45 0.65 7.01 -1.58 -2.12 115.95 119.66 3ly1 h TRP 206 Ca -0.01 0.00 -0.11 0.00 2.11 0.00 0.00 58.89 60.88 3ly1 h TRP 206 Cb 0.95 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.94 3ly1 h TRP 206 CO 0.00 0.15 -0.15 0.82 -2.79 0.00 0.00 178.44 176.47 3ly1 h ILE 207 N 0.18 1.27 0.00 2.65 2.04 -1.05 -2.57 117.51 120.03 3ly1 h ILE 207 Ca 0.05 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 3ly1 h ILE 207 Cb 0.01 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3ly1 h ILE 207 CO -0.01 0.44 -0.11 0.00 0.00 0.00 0.00 178.15 178.47 3ly1 h ALA 208 N 0.86 1.32 0.00 1.87 0.00 -0.81 -1.79 119.26 120.71 3ly1 h ALA 208 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ly1 h ALA 208 Cb 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3ly1 h ALA 208 CO 0.05 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.31 3ly1 n SER 209 N -3.69 0.00 -3.66 0.00 3.41 -0.80 -4.95 113.62 103.94 3ly1 n SER 209 Ca -0.02 0.50 -0.30 0.00 -0.26 0.00 0.00 58.87 58.78 3ly1 n SER 209 Cb 0.22 -0.50 0.05 0.00 -0.26 0.00 0.00 64.21 63.72 3ly1 n SER 209 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ly1 n LYS 210 N -1.50 -1.32 -1.69 4.33 5.02 -0.67 -4.90 118.16 117.43 3ly1 n LYS 210 Ca 0.05 0.48 -0.43 0.00 -2.02 0.00 0.00 58.31 56.39 3ly1 n LYS 210 Cb 0.24 -4.24 -0.01 0.00 -0.02 0.00 0.00 35.03 31.00 3ly1 n LYS 210 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3ly1 n PRO 211 N -4.13 2.06 -1.73 1.97 -0.04 -1.26 -4.82 135.00 127.05 3ly1 n PRO 211 Ca -0.09 0.72 -0.42 0.00 -0.04 0.00 0.00 63.50 63.67 3ly1 n PRO 211 Cb 0.59 -2.31 -0.01 0.00 -0.04 0.00 0.00 33.50 31.74 3ly1 n PRO 211 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ly1 n ALA 212 N 0.67 1.86 -3.60 0.55 0.00 -1.26 -2.99 120.51 115.74 3ly1 n ALA 212 Ca 0.06 0.36 -0.25 0.00 0.00 0.00 0.00 53.44 53.62 3ly1 n ALA 212 Cb 0.35 -2.35 0.07 0.00 0.00 0.00 0.00 19.45 17.52 3ly1 n ALA 212 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3ly1 n ASN 213 N 1.06 -6.09 -3.14 0.00 3.02 -1.26 -4.82 115.26 104.04 3ly1 n ASN 213 Ca 0.05 -0.56 -0.18 0.00 -0.03 0.00 0.00 54.58 53.86 3ly1 n ASN 213 Cb 0.37 -4.81 -0.05 0.00 -0.61 0.00 0.00 39.78 34.67 3ly1 n ASN 213 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3ly1 n THR 214 N -4.91 0.00 -3.64 3.41 -1.04 -1.16 -1.15 114.28 105.80 3ly1 n THR 214 Ca 0.01 -1.78 -0.04 0.00 -2.04 0.00 0.00 64.05 60.19 3ly1 n THR 214 Cb 0.56 0.69 -0.06 0.00 -1.82 0.00 0.00 70.33 69.70 3ly1 n THR 214 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3ly1 s PHE 216 N -2.76 -1.13 -0.25 -1.42 0.40 -0.38 -4.85 117.98 107.59 3ly1 s PHE 216 Ca 0.18 2.12 -0.07 0.00 -0.60 0.00 0.00 56.93 58.56 3ly1 s PHE 216 Cb 0.01 0.67 -0.03 0.00 0.51 0.00 0.00 43.02 44.19 3ly1 s PHE 216 CO 0.13 -0.56 0.07 0.42 0.70 0.00 0.00 175.22 175.99 3ly1 s ILE 217 N 2.10 4.31 -0.22 0.64 1.01 0.41 -0.41 121.20 129.04 3ly1 s ILE 217 Ca -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 3ly1 s ILE 217 Cb -0.07 -3.03 0.01 0.00 0.01 0.00 0.00 42.46 39.38 3ly1 s ILE 217 CO -0.19 0.32 -0.09 -0.69 0.00 0.00 0.00 174.94 174.29 3ly1 s VAL 218 N 1.61 2.85 -0.43 2.92 1.01 0.12 -0.86 120.40 127.62 3ly1 s VAL 218 Ca 0.06 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 3ly1 s VAL 218 Cb -0.15 -2.33 0.09 0.00 0.00 0.00 0.00 36.38 33.98 3ly1 s VAL 218 CO 0.04 0.37 0.29 -0.62 0.00 0.00 0.00 175.10 175.18 3ly1 s ASP 219 N 1.37 5.70 -0.49 3.32 -1.08 -0.03 -1.00 116.67 124.47 3ly1 s ASP 219 Ca 0.04 -1.57 0.03 0.00 -0.52 0.00 0.00 52.55 50.53 3ly1 s ASP 219 Cb -0.15 -2.01 0.49 0.00 -1.46 0.00 0.00 42.92 39.79 3ly1 s ASP 219 CO -0.06 -0.58 1.71 -0.62 0.52 0.00 0.00 175.17 176.14 3ly1 n GLU 220 N 4.94 2.76 -0.30 4.34 1.02 -0.47 -1.53 120.64 131.40 3ly1 n GLU 220 Ca -0.10 -3.48 0.11 0.00 -0.02 0.00 0.00 57.16 53.67 3ly1 n GLU 220 Cb 0.43 -2.20 0.24 0.00 -0.02 0.00 0.00 31.44 29.88 3ly1 n GLU 220 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ly1 h ALA 221 N 1.78 1.05 -0.62 0.62 0.00 -1.84 -2.22 119.26 118.04 3ly1 h ALA 221 Ca 0.49 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.68 3ly1 h ALA 221 Cb 1.37 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3ly1 h ALA 221 CO 1.14 -0.49 0.00 0.66 0.00 0.00 0.00 179.25 180.55 3ly1 n TYR 222 N -5.38 1.42 0.14 0.00 4.01 -1.26 -4.71 117.16 111.38 3ly1 n TYR 222 Ca 0.19 -0.62 0.01 0.00 -0.16 0.00 0.00 57.90 57.32 3ly1 n TYR 222 Cb 0.64 -0.24 0.33 0.00 -0.31 0.00 0.00 39.34 39.76 3ly1 n TYR 222 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ly1 h ALA 223 N 3.91 1.35 0.00 -0.72 0.00 -1.65 -2.69 119.26 119.45 3ly1 h ALA 223 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3ly1 h ALA 223 Cb 1.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3ly1 h ALA 223 CO 0.22 0.46 0.00 0.93 0.00 0.00 0.00 179.25 180.86 3ly1 h GLU 224 N 0.13 0.00 0.00 0.00 3.07 -1.85 -2.19 114.58 113.75 3ly1 h GLU 224 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3ly1 h GLU 224 Cb 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 3ly1 h GLU 224 CO 0.04 0.00 -0.04 1.19 -1.40 0.00 0.00 179.01 178.81 3ly1 n PHE 225 N -2.49 0.51 -2.15 4.33 3.72 -1.01 -4.94 117.46 115.42 3ly1 n PHE 225 Ca 0.01 0.15 -0.41 0.00 -0.05 0.00 0.00 57.45 57.15 3ly1 n PHE 225 Cb 0.20 -0.73 -0.03 0.00 -0.94 0.00 0.00 39.48 37.99 3ly1 n PHE 225 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3ly1 s VAL 226 N -3.06 2.91 -0.07 -4.37 1.01 -0.83 -4.70 120.40 111.29 3ly1 s VAL 226 Ca 0.12 0.83 0.13 0.00 0.00 0.00 0.00 61.98 63.05 3ly1 s VAL 226 Cb 0.15 -3.53 -0.19 0.00 0.00 0.00 0.00 36.38 32.82 3ly1 s VAL 226 CO 0.58 0.16 0.18 0.59 0.00 0.00 0.00 175.10 176.60 3ly1 n ASN 227 N 1.74 1.85 -4.67 3.32 3.02 -1.26 -5.01 115.26 114.24 3ly1 n ASN 227 Ca 0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.16 3ly1 n ASN 227 Cb 0.42 1.23 -0.03 0.00 -0.61 0.00 0.00 39.78 40.79 3ly1 n ASN 227 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ly1 s ASP 228 N -4.07 6.61 0.00 6.41 -1.08 -1.26 -4.89 116.67 118.38 3ly1 s ASP 228 Ca -0.06 2.40 0.21 0.00 -0.52 0.00 0.00 52.55 54.58 3ly1 s ASP 228 Cb 0.06 -2.54 1.00 0.00 -1.46 0.00 0.00 42.92 39.98 3ly1 s ASP 228 CO 0.55 -0.93 1.66 -0.81 0.52 0.00 0.00 175.17 176.15 3ly1 n PRO 229 N 6.68 0.21 0.14 4.34 -0.04 -1.26 -2.11 135.00 142.96 3ly1 n PRO 229 Ca 0.17 0.11 0.13 0.00 -0.04 0.00 0.00 63.50 63.87 3ly1 n PRO 229 Cb 0.42 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.81 3ly1 n PRO 229 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ly1 h ARG 230 N 0.00 0.00 -6.61 0.54 3.08 -1.98 -3.44 114.38 105.96 3ly1 h ARG 230 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 3ly1 h ARG 230 Cb 0.24 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3ly1 h ARG 230 CO 0.00 0.00 0.35 0.12 -1.07 0.00 0.00 179.97 179.37 3ly1 s PHE 231 N -3.24 3.86 -0.01 3.04 5.36 -0.90 -0.30 117.98 125.79 3ly1 s PHE 231 Ca 0.07 1.83 0.00 0.00 -0.96 0.00 0.00 56.93 57.87 3ly1 s PHE 231 Cb 0.10 -3.03 0.02 0.00 -0.34 0.00 0.00 43.02 39.77 3ly1 s PHE 231 CO 0.53 0.28 0.01 0.50 -1.46 0.00 0.00 175.22 175.08 3ly1 s ARG 232 N -0.33 0.06 0.43 10.12 3.52 -1.26 -4.90 118.95 126.59 3ly1 s ARG 232 Ca 0.45 0.08 -0.26 0.00 -0.13 0.00 0.00 55.73 55.87 3ly1 s ARG 232 Cb -0.24 -0.21 -0.09 0.00 -1.56 0.00 0.00 34.95 32.85 3ly1 s ARG 232 CO 0.30 -0.08 1.42 0.45 -0.81 0.00 0.00 175.30 176.57 3ly1 s SER 233 N 0.60 6.06 0.03 -2.12 0.15 -1.26 -4.84 113.70 112.32 3ly1 s SER 233 Ca -0.05 2.90 0.26 0.00 0.70 0.00 0.00 55.95 59.75 3ly1 s SER 233 Cb -0.08 -2.65 1.06 0.00 -1.71 0.00 0.00 66.02 62.64 3ly1 s SER 233 CO -0.02 -1.05 1.81 0.00 1.20 0.00 0.00 173.24 175.19 3ly1 n ILE 234 N 0.01 0.29 -0.29 6.45 0.13 -1.26 -4.28 119.36 120.42 3ly1 n ILE 234 Ca 0.04 0.03 0.11 0.00 -1.10 0.00 0.00 62.75 61.83 3ly1 n ILE 234 Cb 0.42 -0.63 0.26 0.00 -0.84 0.00 0.00 39.64 38.84 3ly1 n ILE 234 CO 0.00 0.00 0.00 -1.28 2.80 0.00 0.00 176.55 178.07 3ly1 h SER 235 N 0.00 -0.07 0.00 9.51 0.87 -1.98 -3.29 113.55 118.58 3ly1 h SER 235 Ca 0.00 0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3ly1 h SER 235 Cb 0.47 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 3ly1 h SER 235 CO 0.00 -0.15 0.27 -2.65 -0.53 0.00 0.00 176.83 173.77 3ly1 n PRO 236 N -5.25 0.19 0.00 2.24 -0.02 -1.26 -2.16 135.00 128.75 3ly1 n PRO 236 Ca 0.19 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3ly1 n PRO 236 Cb 0.63 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 3ly1 n PRO 236 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3ly1 n ILE 238 N 2.62 0.00 -0.31 4.25 5.41 -1.24 -1.16 119.36 128.92 3ly1 n ILE 238 Ca 0.03 0.00 0.18 0.00 1.00 0.00 0.00 62.75 63.97 3ly1 n ILE 238 Cb 0.09 0.00 0.45 0.00 -0.71 0.00 0.00 39.64 39.47 3ly1 n ILE 238 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3ly1 h THR 239 N 0.00 0.62 -0.02 1.39 2.02 -1.71 -0.40 112.91 114.81 3ly1 h THR 239 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3ly1 h THR 239 Cb 0.00 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 3ly1 h THR 239 CO 0.00 0.09 0.00 0.00 0.37 0.00 0.00 175.52 175.98 3ly1 n GLN 240 N -4.65 1.31 0.00 6.66 6.02 -0.31 -4.91 117.38 121.51 3ly1 n GLN 240 Ca 0.23 -0.46 0.00 0.00 -0.01 0.00 0.00 57.00 56.76 3ly1 n GLN 240 Cb 0.73 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.52 3ly1 n GLN 240 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ly1 n GLY 241 N 1.06 1.16 3.69 1.08 0.00 -0.16 -5.09 105.19 106.93 3ly1 n GLY 241 Ca 0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 3ly1 n GLY 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ly1 n ALA 242 N -1.17 1.46 0.36 4.61 0.00 -1.25 -4.91 120.51 119.61 3ly1 n ALA 242 Ca 0.00 0.40 0.08 0.00 0.00 0.00 0.00 53.44 53.92 3ly1 n ALA 242 Cb 0.00 -2.32 0.11 0.00 0.00 0.00 0.00 19.45 17.24 3ly1 n ALA 242 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ly1 n GLU 243 N 2.11 1.68 -0.33 0.00 1.02 -1.26 -4.07 120.64 119.79 3ly1 n GLU 243 Ca 0.11 -1.69 0.07 0.00 -0.02 0.00 0.00 57.16 55.63 3ly1 n GLU 243 Cb 0.33 -1.32 0.18 0.00 -0.02 0.00 0.00 31.44 30.61 3ly1 n GLU 243 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3ly1 n ASN 244 N 0.88 2.46 -3.95 1.62 6.94 -1.26 -4.91 115.26 117.04 3ly1 n ASN 244 Ca 0.11 -3.34 -0.22 0.00 -0.02 0.00 0.00 54.58 51.12 3ly1 n ASN 244 Cb 0.42 -0.49 -0.16 0.00 -2.36 0.00 0.00 39.78 37.19 3ly1 n ASN 244 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3ly1 s ILE 245 N -2.99 0.78 -0.25 1.53 1.01 -1.26 -1.24 121.20 118.78 3ly1 s ILE 245 Ca 0.36 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.70 3ly1 s ILE 245 Cb 0.32 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 42.04 3ly1 s ILE 245 CO 0.01 0.28 -0.01 -0.63 0.00 0.00 0.00 174.94 174.59 3ly1 s ILE 246 N 0.79 3.45 -0.16 2.92 1.01 0.45 -4.45 121.20 125.22 3ly1 s ILE 246 Ca -0.13 -0.68 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 3ly1 s ILE 246 Cb -0.15 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 3ly1 s ILE 246 CO 0.02 0.26 0.34 -0.22 0.00 0.00 0.00 174.94 175.34 3ly1 s LEU 247 N 1.45 4.24 -0.10 2.97 2.96 -0.55 0.16 118.68 129.81 3ly1 s LEU 247 Ca 0.03 0.56 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 3ly1 s LEU 247 Cb -0.16 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.07 3ly1 s LEU 247 CO -0.02 0.06 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.18 3ly1 s LEU 248 N 0.58 2.73 0.12 -0.68 1.43 -0.17 -0.69 118.68 122.00 3ly1 s LEU 248 Ca 0.18 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 3ly1 s LEU 248 Cb -0.13 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 3ly1 s LEU 248 CO 0.05 0.23 -0.09 -0.54 0.23 0.00 0.00 176.35 176.24 3ly1 s LYS 249 N -0.06 0.93 0.03 1.70 -0.14 -0.43 -1.37 119.74 120.41 3ly1 s LYS 249 Ca -0.03 -1.33 -0.07 0.00 -1.36 0.00 0.00 55.97 53.18 3ly1 s LYS 249 Cb -0.14 -0.47 -0.00 0.00 -1.68 0.00 0.00 37.83 35.53 3ly1 s LYS 249 CO 0.04 0.05 0.14 -0.08 -0.76 0.00 0.00 175.35 174.74 3ly1 s THR 250 N -3.16 0.11 -2.33 2.17 -1.32 -1.26 -1.28 115.64 108.57 3ly1 s THR 250 Ca 0.12 -0.92 0.22 0.00 -1.21 0.00 0.00 61.69 59.90 3ly1 s THR 250 Cb 0.02 -0.78 0.47 0.00 -1.51 0.00 0.00 72.50 70.69 3ly1 s THR 250 CO -0.01 -0.51 1.58 0.49 -2.21 0.00 0.00 174.62 173.96 3ly1 n PHE 251 N 0.91 0.18 0.53 9.09 3.01 -0.34 -4.53 117.46 126.31 3ly1 n PHE 251 Ca -0.20 -0.09 0.13 0.00 1.01 0.00 0.00 57.45 58.30 3ly1 n PHE 251 Cb 0.58 0.00 0.44 0.00 -0.01 0.00 0.00 39.48 40.49 3ly1 n PHE 251 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3ly1 n SER 252 N 0.35 0.75 0.00 4.37 7.64 -1.26 -3.09 113.62 122.38 3ly1 n SER 252 Ca 0.17 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.66 3ly1 n SER 252 Cb 0.35 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 3ly1 n SER 252 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ly1 n LYS 253 N -2.26 0.00 -0.35 1.43 4.76 -1.26 -3.34 118.16 117.15 3ly1 n LYS 253 Ca 0.04 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.55 3ly1 n LYS 253 Cb 0.34 0.00 0.25 0.00 -1.84 0.00 0.00 35.03 33.78 3ly1 n LYS 253 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 3ly1 h ILE 254 N 0.00 0.94 0.00 -0.18 6.09 -1.84 0.89 117.51 123.42 3ly1 h ILE 254 Ca 0.00 -0.34 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 3ly1 h ILE 254 Cb 0.00 -0.14 0.00 0.00 0.47 0.00 0.00 36.82 37.15 3ly1 h ILE 254 CO 0.00 0.18 0.00 1.41 -3.07 0.00 0.00 178.15 176.67 3ly1 n HIS 255 N -4.59 0.00 -2.61 2.19 8.25 -1.25 -4.88 115.22 112.34 3ly1 n HIS 255 Ca 0.18 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.61 3ly1 n HIS 255 Cb 0.33 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.14 3ly1 n HIS 255 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ly1 n ALA 256 N -1.31 -3.24 0.00 -1.41 0.00 0.31 -4.53 120.51 110.33 3ly1 n ALA 256 Ca 0.13 0.71 0.00 0.00 0.00 0.00 0.00 53.44 54.28 3ly1 n ALA 256 Cb 0.24 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3ly1 n ALA 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ly1 n ALA 258 N 0.18 0.00 -1.03 0.00 0.00 -1.21 -4.84 120.51 113.61 3ly1 n ALA 258 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.28 3ly1 n ALA 258 Cb 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.53 3ly1 n ALA 258 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ly1 n GLY 259 N 0.00 3.31 0.00 0.00 0.00 -1.26 -4.80 105.19 102.45 3ly1 n GLY 259 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 3ly1 n GLY 259 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ly1 n ARG 261 N 3.02 0.00 -3.83 1.61 5.12 -1.26 -5.09 116.66 116.24 3ly1 n ARG 261 Ca 0.53 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 56.19 3ly1 n ARG 261 Cb 0.58 0.00 -0.17 0.00 -1.16 0.00 0.00 32.46 31.71 3ly1 n ARG 261 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3ly1 s VAL 262 N 0.00 0.71 0.18 1.55 1.01 -1.26 -3.26 120.40 119.33 3ly1 s VAL 262 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3ly1 s VAL 262 Cb 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 3ly1 s VAL 262 CO 0.00 0.21 0.19 0.61 0.00 0.00 0.00 175.10 176.11 3ly1 n GLY 263 N 5.03 3.12 3.46 4.51 0.00 0.20 -1.20 105.19 120.31 3ly1 n GLY 263 Ca -0.10 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.14 3ly1 n GLY 263 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ly1 s TYR 264 N -3.16 -0.46 0.04 1.61 1.13 -0.40 -0.87 117.35 115.24 3ly1 s TYR 264 Ca 0.19 0.27 0.04 0.00 -1.41 0.00 0.00 57.07 56.16 3ly1 s TYR 264 Cb 0.00 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.39 3ly1 s TYR 264 CO 0.13 -0.76 -0.06 0.00 -2.51 0.00 0.00 175.55 172.36 3ly1 s ALA 265 N -3.54 3.06 -0.12 9.51 0.00 0.20 -1.31 121.76 129.57 3ly1 s ALA 265 Ca 0.03 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.94 3ly1 s ALA 265 Cb -0.01 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 22.02 3ly1 s ALA 265 CO -0.11 0.64 -0.23 0.08 0.00 0.00 0.00 175.76 176.14 3ly1 s VAL 266 N -1.10 2.03 0.27 0.00 1.01 0.14 -1.75 120.40 120.99 3ly1 s VAL 266 Ca 0.20 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 61.00 3ly1 s VAL 266 Cb -0.11 -1.78 0.06 0.00 0.00 0.00 0.00 36.38 34.55 3ly1 s VAL 266 CO 0.11 0.55 0.90 0.00 0.00 0.00 0.00 175.10 176.66 3ly1 s ALA 267 N 0.60 -1.24 0.62 5.51 0.00 -0.77 -1.48 121.76 125.00 3ly1 s ALA 267 Ca -0.13 -0.42 -0.19 0.00 0.00 0.00 0.00 51.96 51.22 3ly1 s ALA 267 Cb -0.17 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 3ly1 s ALA 267 CO 0.03 -1.03 1.27 1.58 0.00 0.00 0.00 175.76 177.62 3ly1 n HIS 268 N -0.58 1.91 0.02 0.00 -0.00 -1.26 -4.38 115.22 110.93 3ly1 n HIS 268 Ca -0.06 0.43 0.13 0.00 0.46 0.00 0.00 57.72 58.68 3ly1 n HIS 268 Cb 0.60 -2.28 0.58 0.00 -0.12 0.00 0.00 29.99 28.77 3ly1 n HIS 268 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3ly1 h PRO 269 N 0.77 0.20 -0.47 1.57 0.11 -1.92 -1.44 132.00 130.82 3ly1 h PRO 269 Ca -0.51 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 3ly1 h PRO 269 Cb 1.33 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 3ly1 h PRO 269 CO 0.54 0.13 0.13 1.79 -0.21 0.00 0.00 178.00 180.38 3ly1 h THR 270 N 0.20 1.20 0.02 -1.15 1.35 -1.90 -0.98 112.91 111.66 3ly1 h THR 270 Ca 0.21 -0.70 -0.16 0.00 -0.55 0.00 0.00 66.41 65.20 3ly1 h THR 270 Cb 0.55 0.71 0.01 0.00 -1.73 0.00 0.00 68.15 67.69 3ly1 h THR 270 CO -0.04 0.26 -0.64 0.58 -0.25 0.00 0.00 175.52 175.43 3ly1 h VAL 271 N 0.69 1.44 -0.85 6.82 2.07 -1.64 -2.72 116.25 122.04 3ly1 h VAL 271 Ca 0.16 -2.15 0.05 0.00 0.82 0.00 0.00 66.70 65.58 3ly1 h VAL 271 Cb 0.24 2.67 -0.06 0.00 -1.52 0.00 0.00 31.29 32.63 3ly1 h VAL 271 CO -0.00 0.62 0.54 0.40 0.02 0.00 0.00 177.57 179.15 3ly1 h ILE 272 N -0.13 1.08 -0.92 4.57 1.08 -1.25 -2.50 117.51 119.45 3ly1 h ILE 272 Ca -0.09 -0.35 0.02 0.00 -0.39 0.00 0.00 64.86 64.06 3ly1 h ILE 272 Cb 1.37 -0.02 -0.05 0.00 -3.07 0.00 0.00 36.82 35.05 3ly1 h ILE 272 CO 0.13 0.18 0.60 0.00 -0.69 0.00 0.00 178.15 178.37 3ly1 h ALA 273 N 1.38 1.18 0.00 1.87 0.00 -1.14 -0.72 119.26 121.83 3ly1 h ALA 273 Ca 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3ly1 h ALA 273 Cb 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3ly1 h ALA 273 CO -0.15 0.53 0.00 -0.11 0.00 0.00 0.00 179.25 179.52 3ly1 n LEU 274 N -4.46 0.66 0.00 0.00 7.94 -0.94 -3.46 117.00 116.74 3ly1 n LEU 274 Ca 0.11 -0.33 0.00 0.00 -1.11 0.00 0.00 56.01 54.68 3ly1 n LEU 274 Cb 0.04 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 43.82 3ly1 n LEU 274 CO 0.36 0.12 0.00 0.61 -1.11 0.00 0.00 177.39 177.37 3ly1 n GLY 276 N 0.60 0.00 0.15 -3.96 0.00 -0.28 -4.21 105.19 97.49 3ly1 n GLY 276 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3ly1 n GLY 276 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ly1 h ARG 277 N 0.00 0.00 -0.16 1.61 3.08 -1.84 -3.22 114.38 113.85 3ly1 h ARG 277 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ly1 h ARG 277 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3ly1 h ARG 277 CO 0.00 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.56 3ly1 n TYR 278 N -2.35 0.35 -4.30 3.04 4.01 -1.26 -4.95 117.16 111.70 3ly1 n TYR 278 Ca 0.02 -0.67 -0.17 0.00 -0.16 0.00 0.00 57.90 56.91 3ly1 n TYR 278 Cb 0.22 -0.12 -0.10 0.00 -0.31 0.00 0.00 39.34 39.03 3ly1 n TYR 278 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3ly1 s VAL 279 N -1.73 1.50 -1.22 -0.72 -7.23 -1.22 -4.74 120.40 105.04 3ly1 s VAL 279 Ca 0.22 -2.09 -0.07 0.00 -1.81 0.00 0.00 61.98 58.23 3ly1 s VAL 279 Cb 0.16 -1.91 0.21 0.00 0.56 0.00 0.00 36.38 35.40 3ly1 s VAL 279 CO 0.07 -0.61 1.81 0.00 -0.31 0.00 0.00 175.10 176.06 3ly1 n ALA 280 N -0.18 5.45 -0.59 1.32 0.00 -1.26 -4.94 120.51 120.31 3ly1 n ALA 280 Ca -0.10 -4.44 0.00 0.00 0.00 0.00 0.00 53.44 48.90 3ly1 n ALA 280 Cb 0.60 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.27 3ly1 n ALA 280 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ly1 n GLY 281 N 2.25 -1.33 3.15 0.00 0.00 -1.26 -4.48 105.19 103.52 3ly1 n GLY 281 Ca 0.38 -1.16 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 3ly1 n GLY 281 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ly1 s GLU 282 N 0.00 2.34 -0.43 1.61 2.02 -1.26 -4.96 118.70 118.02 3ly1 s GLU 282 Ca 0.00 -1.98 0.10 0.00 0.02 0.00 0.00 54.97 53.11 3ly1 s GLU 282 Cb 0.00 -3.76 0.33 0.00 0.10 0.00 0.00 34.13 30.80 3ly1 s GLU 282 CO 0.00 -1.14 0.74 1.63 0.02 0.00 0.00 175.26 176.51 3ly1 n LYS 283 N 4.44 1.45 -2.31 1.61 5.02 -1.26 -5.02 118.16 122.09 3ly1 n LYS 283 Ca -0.01 -3.71 -0.34 0.00 -2.02 0.00 0.00 58.31 52.23 3ly1 n LYS 283 Cb 0.41 -1.76 -0.01 0.00 -0.02 0.00 0.00 35.03 33.64 3ly1 n LYS 283 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ly1 s ILE 284 N -2.64 3.66 0.46 -0.18 -1.09 -1.26 -5.00 121.20 115.16 3ly1 s ILE 284 Ca 0.41 0.95 -0.23 0.00 -2.23 0.00 0.00 60.65 59.55 3ly1 s ILE 284 Cb 0.30 -3.39 -0.07 0.00 -1.58 0.00 0.00 42.46 37.72 3ly1 s ILE 284 CO -0.09 -0.31 1.14 0.54 -1.23 0.00 0.00 174.94 174.99 3ly1 s ASN 285 N -2.21 6.20 0.18 3.58 2.20 -1.26 -4.67 114.94 118.95 3ly1 s ASN 285 Ca 0.67 2.24 -0.14 0.00 -0.94 0.00 0.00 52.86 54.70 3ly1 s ASN 285 Cb -0.18 -2.60 0.09 0.00 -2.00 0.00 0.00 41.25 36.57 3ly1 s ASN 285 CO 0.27 -0.89 1.83 0.15 -2.94 0.00 0.00 177.10 175.51 3ly1 h PHE 286 N 1.98 0.63 -0.49 1.54 3.04 -1.93 -0.37 116.94 121.34 3ly1 h PHE 286 Ca -0.49 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.40 3ly1 h PHE 286 Cb 1.24 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 39.53 3ly1 h PHE 286 CO 0.54 0.38 0.01 0.77 -2.02 0.00 0.00 178.31 177.99 3ly1 h SER 287 N 0.68 0.83 -0.61 0.41 0.02 -1.86 -1.85 113.55 111.17 3ly1 h SER 287 Ca 0.21 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3ly1 h SER 287 Cb -0.02 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 3ly1 h SER 287 CO -0.07 0.93 0.35 1.23 -1.14 0.00 0.00 176.83 178.12 3ly1 h GLY 288 N 0.71 0.89 0.86 -3.77 0.00 -1.84 0.15 103.07 100.07 3ly1 h GLY 288 Ca 0.14 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3ly1 h GLY 288 CO 0.02 0.37 0.06 -2.08 0.00 0.00 0.00 176.54 174.91 3ly1 h VAL 289 N 0.82 1.18 -0.08 4.60 2.07 -0.90 0.17 116.25 124.11 3ly1 h VAL 289 Ca 0.22 -0.54 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 3ly1 h VAL 289 Cb 0.01 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3ly1 h VAL 289 CO -0.04 0.17 -0.51 0.44 0.02 0.00 0.00 177.57 177.65 3ly1 h ASP 290 N 0.09 0.24 -0.45 0.57 3.32 -1.28 -1.18 116.42 117.74 3ly1 h ASP 290 Ca 0.05 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 56.86 3ly1 h ASP 290 Cb 0.21 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3ly1 h ASP 290 CO -0.00 0.71 -0.19 0.00 -1.72 0.00 0.00 179.24 178.04 3ly1 h ALA 291 N 1.30 0.63 -0.55 3.45 0.00 -0.50 -2.48 119.26 121.10 3ly1 h ALA 291 Ca 0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3ly1 h ALA 291 Cb 0.96 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3ly1 h ALA 291 CO 0.08 0.59 0.25 0.00 0.00 0.00 0.00 179.25 180.17 3ly1 h ALA 292 N 0.85 0.71 -0.65 0.00 0.00 -0.39 -0.47 119.26 119.30 3ly1 h ALA 292 Ca 0.10 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ly1 h ALA 292 Cb 0.76 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3ly1 h ALA 292 CO 0.06 0.29 0.42 -0.07 0.00 0.00 0.00 179.25 179.95 3ly1 h LEU 293 N 0.74 0.72 -0.40 0.00 3.38 -1.20 -2.83 115.31 115.73 3ly1 h LEU 293 Ca 0.19 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 3ly1 h LEU 293 Cb 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3ly1 h LEU 293 CO -0.02 0.52 -0.21 0.00 0.09 0.00 0.00 178.44 178.82 3ly1 h ALA 294 N 1.25 0.57 0.00 1.53 0.00 -1.21 -3.25 119.26 118.15 3ly1 h ALA 294 Ca 0.25 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ly1 h ALA 294 Cb -0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3ly1 h ALA 294 CO -0.07 0.53 0.01 0.45 0.00 0.00 0.00 179.25 180.17 3ly1 n SER 295 N -4.22 1.65 0.00 0.00 2.88 -0.21 -2.11 113.62 111.61 3ly1 n SER 295 Ca -0.01 -1.44 0.00 0.00 -1.33 0.00 0.00 58.87 56.08 3ly1 n SER 295 Cb 0.44 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 3ly1 n SER 295 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3ly1 n ASN 297 N 1.87 0.00 -4.21 -3.46 3.02 -1.23 -4.47 115.26 106.78 3ly1 n ASN 297 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 3ly1 n ASN 297 Cb 0.16 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 3ly1 n ASN 297 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3ly1 n ASP 298 N 0.00 5.27 0.17 6.41 -0.08 -0.90 -4.79 116.55 122.64 3ly1 n ASP 298 Ca 0.00 -3.06 0.02 0.00 -1.51 0.00 0.00 54.79 50.25 3ly1 n ASP 298 Cb 0.00 -1.50 0.31 0.00 2.34 0.00 0.00 41.12 42.27 3ly1 n ASP 298 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3ly1 h SER 299 N 6.48 0.00 -0.63 1.67 4.64 -1.91 -2.91 113.55 120.88 3ly1 h SER 299 Ca 0.33 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.62 3ly1 h SER 299 Cb 0.77 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.83 3ly1 h SER 299 CO 1.37 0.44 0.26 0.00 -0.87 0.00 0.00 176.83 178.04 3ly1 h ALA 300 N 1.56 0.82 -0.61 5.18 0.00 -1.96 -2.30 119.26 121.95 3ly1 h ALA 300 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3ly1 h ALA 300 Cb 0.83 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3ly1 h ALA 300 CO 0.06 0.43 0.29 0.35 0.00 0.00 0.00 179.25 180.37 3ly1 h PHE 301 N 0.88 0.88 -0.55 0.00 3.57 -1.92 -1.76 116.94 118.04 3ly1 h PHE 301 Ca 0.21 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 3ly1 h PHE 301 Cb 0.19 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3ly1 h PHE 301 CO 0.01 0.67 0.29 0.82 -2.23 0.00 0.00 178.31 177.88 3ly1 h ILE 302 N 0.84 1.19 -0.47 1.41 1.08 -1.43 0.21 117.51 120.34 3ly1 h ILE 302 Ca 0.21 -0.50 0.06 0.00 -0.39 0.00 0.00 64.86 64.24 3ly1 h ILE 302 Cb 0.13 0.51 -0.05 0.00 -3.07 0.00 0.00 36.82 34.33 3ly1 h ILE 302 CO -0.03 0.21 0.17 0.74 -0.69 0.00 0.00 178.15 178.56 3ly1 h THR 303 N 0.74 0.86 -0.51 -0.27 2.02 -1.30 -1.60 112.91 112.85 3ly1 h THR 303 Ca 0.19 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.20 3ly1 h THR 303 Cb 0.07 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 3ly1 h THR 303 CO -0.03 0.06 0.12 0.22 0.37 0.00 0.00 175.52 176.27 3ly1 h TYR 304 N 0.35 0.85 -0.49 3.16 3.20 -0.55 -1.69 116.97 121.80 3ly1 h TYR 304 Ca 0.22 -0.10 0.06 0.00 3.14 0.00 0.00 58.73 62.05 3ly1 h TYR 304 Cb 0.21 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.19 3ly1 h TYR 304 CO -0.15 0.75 0.20 1.03 -1.64 0.00 0.00 178.16 178.35 3ly1 h SER 305 N 0.70 0.24 -0.13 -2.11 0.87 -0.25 0.36 113.55 113.22 3ly1 h SER 305 Ca 0.16 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 3ly1 h SER 305 Cb 0.33 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3ly1 h SER 305 CO 0.00 0.17 -0.02 0.50 -0.53 0.00 0.00 176.83 176.95 3ly1 h LYS 306 N 0.39 0.24 -0.50 2.24 3.64 -1.21 -2.78 116.57 118.60 3ly1 h LYS 306 Ca 0.23 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3ly1 h LYS 306 Cb 0.21 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 3ly1 h LYS 306 CO -0.21 0.52 0.32 -0.22 -2.27 0.00 0.00 179.45 177.59 3ly1 h LYS 307 N -0.06 0.63 -0.86 1.90 3.64 -1.01 0.58 116.57 121.38 3ly1 h LYS 307 Ca 0.03 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3ly1 h LYS 307 Cb 0.42 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 3ly1 h LYS 307 CO 0.01 0.42 0.50 1.03 -2.27 0.00 0.00 179.45 179.13 3ly1 h SER 308 N 0.65 1.05 -0.75 4.20 0.87 -0.99 -1.12 113.55 117.45 3ly1 h SER 308 Ca 0.19 -0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3ly1 h SER 308 Cb -0.05 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.60 3ly1 h SER 308 CO -0.05 0.83 0.50 -1.13 -0.53 0.00 0.00 176.83 176.44 3ly1 h ASN 309 N 1.19 0.86 -0.55 6.23 -1.24 -1.03 -1.24 115.58 119.80 3ly1 h ASN 309 Ca 0.30 -0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.27 3ly1 h ASN 309 Cb -0.01 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 38.80 3ly1 h ASN 309 CO -0.05 0.62 0.27 0.44 -1.29 0.00 0.00 177.43 177.42 3ly1 h ASP 310 N 1.02 0.72 -0.28 1.15 3.32 -0.20 -0.69 116.42 121.46 3ly1 h ASP 310 Ca 0.28 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3ly1 h ASP 310 Cb -0.11 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 3ly1 h ASP 310 CO -0.06 0.65 0.15 0.58 -1.72 0.00 0.00 179.24 178.84 3ly1 h VAL 311 N 0.75 1.12 -0.84 -1.35 2.07 -0.98 -2.66 116.25 114.36 3ly1 h VAL 311 Ca 0.19 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3ly1 h VAL 311 Cb 0.11 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3ly1 h VAL 311 CO -0.02 0.12 0.50 0.28 0.02 0.00 0.00 177.57 178.47 3ly1 h SER 312 N 0.33 1.01 -0.10 0.57 0.02 -0.97 -2.80 113.55 111.60 3ly1 h SER 312 Ca 0.10 -0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3ly1 h SER 312 Cb 0.06 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 3ly1 h SER 312 CO -0.02 0.78 -0.09 -0.09 -1.14 0.00 0.00 176.83 176.27 3ly1 h ARG 313 N 1.15 -0.10 -0.97 3.45 2.43 -0.98 -2.52 114.38 116.84 3ly1 h ARG 313 Ca 0.30 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.61 3ly1 h ARG 313 Cb -0.04 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.44 3ly1 h ARG 313 CO -0.06 -0.07 0.59 0.37 -1.51 0.00 0.00 179.97 179.29 3ly1 h GLN 314 N -0.11 0.88 -0.36 0.20 -0.00 -1.28 -0.48 115.11 113.96 3ly1 h GLN 314 Ca 0.07 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 3ly1 h GLN 314 Cb 0.21 -0.20 -0.02 0.00 0.00 0.00 0.00 27.48 27.48 3ly1 h GLN 314 CO -0.17 0.58 0.13 0.82 0.00 0.00 0.00 178.83 180.19 3ly1 h ILE 315 N 0.91 1.20 -0.41 2.39 2.04 -1.21 -0.80 117.51 121.62 3ly1 h ILE 315 Ca 0.49 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 3ly1 h ILE 315 Cb 0.54 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3ly1 h ILE 315 CO -0.29 0.22 0.06 0.25 0.00 0.00 0.00 178.15 178.40 3ly1 h LEU 316 N 0.44 0.66 -0.89 1.44 5.85 -1.01 -2.93 115.31 118.86 3ly1 h LEU 316 Ca 0.12 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 3ly1 h LEU 316 Cb 0.22 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3ly1 h LEU 316 CO -0.01 0.76 0.33 -0.07 -0.34 0.00 0.00 178.44 179.11 3ly1 h LEU 317 N 0.54 1.04 -0.46 2.25 3.38 -0.99 -1.45 115.31 119.63 3ly1 h LEU 317 Ca 0.13 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3ly1 h LEU 317 Cb 0.38 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3ly1 h LEU 317 CO 0.01 0.91 0.26 0.50 0.09 0.00 0.00 178.44 180.20 3ly1 h LYS 318 N 1.12 0.50 -0.65 1.13 1.63 -1.13 -0.75 116.57 118.43 3ly1 h LYS 318 Ca 0.26 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 3ly1 h LYS 318 Cb 0.17 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 3ly1 h LYS 318 CO -0.03 0.33 0.37 0.00 -3.45 0.00 0.00 179.45 176.68 3ly1 h ALA 319 N 1.21 0.83 -0.42 5.00 0.00 -1.23 -1.92 119.26 122.74 3ly1 h ALA 319 Ca 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3ly1 h ALA 319 Cb 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3ly1 h ALA 319 CO -0.10 0.33 0.16 -0.07 0.00 0.00 0.00 179.25 179.57 3ly1 h LEU 320 N 0.88 0.58 -0.76 0.00 3.38 -0.86 -1.51 115.31 117.03 3ly1 h LEU 320 Ca 0.23 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.08 3ly1 h LEU 320 Cb 0.02 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 3ly1 h LEU 320 CO -0.04 0.60 0.45 -0.33 0.09 0.00 0.00 178.44 179.21 3ly1 h GLU 321 N 0.53 0.80 -0.62 1.13 5.08 -1.10 0.15 114.58 120.54 3ly1 h GLU 321 Ca 0.14 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 3ly1 h GLU 321 Cb 0.21 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3ly1 h GLU 321 CO -0.01 0.53 0.16 -0.44 -1.00 0.00 0.00 179.01 178.25 3ly1 h ASP 322 N 0.83 0.91 0.53 1.42 3.32 -1.05 -2.67 116.42 119.70 3ly1 h ASP 322 Ca 0.33 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3ly1 h ASP 322 Cb 0.17 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3ly1 h ASP 322 CO -0.17 0.87 -0.14 0.18 -1.72 0.00 0.00 179.24 178.26 3ly1 n LEU 323 N -4.26 0.35 -3.77 1.55 4.77 -0.59 -4.94 117.00 110.11 3ly1 n LEU 323 Ca 0.05 0.13 -0.26 0.00 -0.03 0.00 0.00 56.01 55.90 3ly1 n LEU 323 Cb 0.24 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 41.10 3ly1 n LEU 323 CO 0.41 0.07 0.07 0.29 -1.33 0.00 0.00 177.39 176.90 3ly1 n LYS 324 N -1.18 -5.72 -3.63 3.23 5.02 0.35 -4.99 118.16 111.24 3ly1 n LYS 324 Ca 0.11 0.65 -0.37 0.00 -2.02 0.00 0.00 58.31 56.68 3ly1 n LYS 324 Cb 0.30 -5.46 -0.11 0.00 -0.02 0.00 0.00 35.03 29.74 3ly1 n LYS 324 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ly1 s LEU 325 N -7.03 4.02 0.55 -0.35 1.43 -0.13 -5.02 118.68 112.15 3ly1 s LEU 325 Ca 0.39 0.02 -0.21 0.00 -1.03 0.00 0.00 54.13 53.30 3ly1 s LEU 325 Cb -0.19 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3ly1 s LEU 325 CO 0.80 -0.01 1.30 -2.84 0.23 0.00 0.00 176.35 175.83 3ly1 s PRO 326 N 1.52 3.12 0.07 1.29 0.02 -1.26 -4.56 135.00 135.20 3ly1 s PRO 326 Ca 0.07 2.08 -0.01 0.00 0.02 0.00 0.00 61.00 63.16 3ly1 s PRO 326 Cb -0.15 -2.17 -0.04 0.00 0.02 0.00 0.00 34.50 32.16 3ly1 s PRO 326 CO 0.09 -1.15 -0.00 1.52 -0.33 0.00 0.00 177.00 177.12 3ly1 s TYR 327 N -1.39 0.59 0.26 6.54 1.13 -1.26 -0.78 117.35 122.44 3ly1 s TYR 327 Ca 0.73 -1.10 -0.05 0.00 -1.41 0.00 0.00 57.07 55.24 3ly1 s TYR 327 Cb -0.37 -0.40 -0.05 0.00 -1.10 0.00 0.00 41.96 40.04 3ly1 s TYR 327 CO 0.42 -0.42 0.52 -0.51 -2.51 0.00 0.00 175.55 173.05 3ly1 s LEU 328 N -2.95 4.11 0.37 -3.49 1.43 -0.68 -5.01 118.68 112.45 3ly1 s LEU 328 Ca 0.11 0.69 -0.28 0.00 -1.03 0.00 0.00 54.13 53.62 3ly1 s LEU 328 Cb 0.08 -3.49 -0.11 0.00 0.03 0.00 0.00 46.19 42.70 3ly1 s LEU 328 CO -0.07 -0.15 1.47 -2.84 0.23 0.00 0.00 176.35 174.99 3ly1 s PRO 329 N -3.37 4.14 -0.26 1.29 0.02 -1.26 -4.62 135.00 130.93 3ly1 s PRO 329 Ca 0.43 2.53 -0.04 0.00 0.02 0.00 0.00 61.00 63.94 3ly1 s PRO 329 Cb -0.11 -2.98 0.01 0.00 0.02 0.00 0.00 34.50 31.44 3ly1 s PRO 329 CO 0.28 -0.50 0.01 0.45 -0.33 0.00 0.00 177.00 176.92 3ly1 s SER 330 N -0.15 4.70 0.00 2.53 0.15 -1.26 -3.54 113.70 116.12 3ly1 s SER 330 Ca 0.53 -0.69 0.04 0.00 0.70 0.00 0.00 55.95 56.53 3ly1 s SER 330 Cb -0.46 -1.78 0.01 0.00 -1.71 0.00 0.00 66.02 62.08 3ly1 s SER 330 CO 0.61 -0.13 0.50 -0.62 1.20 0.00 0.00 173.24 174.80 3ly1 n GLU 331 N 4.79 1.25 0.00 5.44 -0.58 -0.22 -4.90 120.64 126.43 3ly1 n GLU 331 Ca -0.16 -0.54 0.00 0.00 -0.42 0.00 0.00 57.16 56.04 3ly1 n GLU 331 Cb 0.48 -0.97 0.00 0.00 -0.57 0.00 0.00 31.44 30.38 3ly1 n GLU 331 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ly1 n GLY 332 N 0.46 3.11 2.03 0.62 0.00 -1.25 -2.48 105.19 107.68 3ly1 n GLY 332 Ca 0.02 -1.86 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 3ly1 n GLY 332 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ly1 n ASN 333 N 0.00 5.63 -3.51 1.61 6.94 -1.26 -4.94 115.26 119.72 3ly1 n ASN 333 Ca 0.00 -3.77 -0.11 0.00 -0.02 0.00 0.00 54.58 50.68 3ly1 n ASN 333 Cb 0.00 -0.65 -0.02 0.00 -2.36 0.00 0.00 39.78 36.75 3ly1 n ASN 333 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3ly1 s PHE 334 N -3.63 -0.45 -0.03 -2.53 -0.71 -1.26 -0.80 117.98 108.57 3ly1 s PHE 334 Ca 0.56 0.19 0.03 0.00 -1.04 0.00 0.00 56.93 56.67 3ly1 s PHE 334 Cb 0.45 0.56 -0.00 0.00 -1.21 0.00 0.00 43.02 42.82 3ly1 s PHE 334 CO 0.02 -0.90 -0.11 0.08 -1.34 0.00 0.00 175.22 172.96 3ly1 s VAL 335 N -3.78 0.96 -0.27 -2.49 1.01 -0.35 -4.70 120.40 110.78 3ly1 s VAL 335 Ca 0.03 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 3ly1 s VAL 335 Cb -0.02 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 3ly1 s VAL 335 CO -0.09 0.29 0.12 0.12 0.00 0.00 0.00 175.10 175.53 3ly1 s PHE 336 N 0.06 3.14 0.13 5.22 5.36 -1.26 -0.65 117.98 129.99 3ly1 s PHE 336 Ca -0.02 -0.37 0.03 0.00 -0.96 0.00 0.00 56.93 55.61 3ly1 s PHE 336 Cb -0.08 -2.30 -0.04 0.00 -0.34 0.00 0.00 43.02 40.25 3ly1 s PHE 336 CO 0.01 -0.35 -0.07 -3.38 -1.46 0.00 0.00 175.22 169.96 3ly1 s HIS 337 N 1.64 1.10 0.45 10.12 -3.43 -0.49 -1.68 115.29 123.00 3ly1 s HIS 337 Ca 0.06 -0.86 -0.12 0.00 -0.80 0.00 0.00 55.06 53.34 3ly1 s HIS 337 Cb -0.16 -0.60 -0.07 0.00 -1.43 0.00 0.00 32.58 30.33 3ly1 s HIS 337 CO 0.06 -0.05 0.85 -1.14 -2.00 0.00 0.00 174.74 172.46 3ly1 s GLN 338 N -3.80 3.81 0.09 -0.38 0.74 0.04 -0.36 119.66 119.80 3ly1 s GLN 338 Ca 0.16 0.62 0.08 0.00 0.05 0.00 0.00 55.36 56.27 3ly1 s GLN 338 Cb 0.04 -2.29 -0.03 0.00 1.10 0.00 0.00 33.01 31.82 3ly1 s GLN 338 CO -0.01 -0.14 -0.21 -0.51 -0.55 0.00 0.00 175.29 173.87 3ly1 s LEU 339 N -4.02 2.27 -0.02 3.68 1.43 0.62 -4.71 118.68 117.93 3ly1 s LEU 339 Ca 0.54 -0.65 0.20 0.00 -1.03 0.00 0.00 54.13 53.19 3ly1 s LEU 339 Cb -0.10 -0.89 -0.29 0.00 0.03 0.00 0.00 46.19 44.94 3ly1 s LEU 339 CO 0.33 0.07 0.55 1.33 0.23 0.00 0.00 176.35 178.87 3ly1 n VAL 340 N 1.24 0.00 -3.57 -1.59 0.24 -1.26 -4.84 118.33 108.55 3ly1 n VAL 340 Ca -0.19 -0.35 -0.22 0.00 -2.04 0.00 0.00 64.34 61.54 3ly1 n VAL 340 Cb 0.54 0.29 -0.01 0.00 -1.47 0.00 0.00 33.84 33.19 3ly1 n VAL 340 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3ly1 s VAL 341 N -3.27 4.83 0.27 3.34 -7.23 -1.26 -5.06 120.40 112.02 3ly1 s VAL 341 Ca -0.03 -0.76 -0.31 0.00 -1.81 0.00 0.00 61.98 59.07 3ly1 s VAL 341 Cb 0.14 -3.73 -0.12 0.00 0.56 0.00 0.00 36.38 33.22 3ly1 s VAL 341 CO 0.84 -0.37 1.53 -2.65 -0.31 0.00 0.00 175.10 174.14 3ly1 n PRO 342 N -1.66 2.44 -0.24 4.82 -0.02 -1.26 -4.88 135.00 134.20 3ly1 n PRO 342 Ca -0.05 0.87 0.02 0.00 -2.02 0.00 0.00 63.50 62.32 3ly1 n PRO 342 Cb 0.57 -2.60 0.15 0.00 -0.02 0.00 0.00 33.50 31.59 3ly1 n PRO 342 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ly1 h LEU 343 N 4.65 0.38 -0.85 2.45 5.85 -1.94 -1.32 115.31 124.54 3ly1 h LEU 343 Ca -0.46 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.27 3ly1 h LEU 343 Cb 1.24 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 3ly1 h LEU 343 CO 0.79 0.20 0.11 0.50 -0.34 0.00 0.00 178.44 179.69 3ly1 h LYS 344 N 0.53 0.97 -0.38 1.25 1.63 -1.93 0.12 116.57 118.75 3ly1 h LYS 344 Ca 0.36 -0.23 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 3ly1 h LYS 344 Cb 0.45 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 3ly1 h LYS 344 CO -0.31 0.89 0.15 -0.44 -3.45 0.00 0.00 179.45 176.29 3ly1 h ASP 345 N 0.92 0.52 -0.64 4.20 3.32 -1.76 -1.76 116.42 121.21 3ly1 h ASP 345 Ca 0.19 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3ly1 h ASP 345 Cb 0.39 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3ly1 h ASP 345 CO 0.01 0.54 0.23 0.22 -1.72 0.00 0.00 179.24 178.52 3ly1 h TYR 346 N 0.47 1.00 -0.90 4.55 3.20 -0.48 0.63 116.97 125.43 3ly1 h TYR 346 Ca 0.13 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3ly1 h TYR 346 Cb 0.18 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 3ly1 h TYR 346 CO -0.00 0.80 0.49 1.96 -1.64 0.00 0.00 178.16 179.77 3ly1 h GLN 347 N 0.91 1.26 -0.19 1.82 4.20 -0.72 -3.00 115.11 119.39 3ly1 h GLN 347 Ca 0.21 -0.15 -0.17 0.00 0.06 0.00 0.00 58.65 58.60 3ly1 h GLN 347 Cb 0.25 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3ly1 h GLN 347 CO -0.01 0.92 -0.53 1.15 -0.67 0.00 0.00 178.83 179.69 3ly1 h THR 348 N 1.26 1.31 0.00 -0.54 2.02 -0.84 -0.80 112.91 115.33 3ly1 h THR 348 Ca 0.32 -1.75 0.00 0.00 0.77 0.00 0.00 66.41 65.74 3ly1 h THR 348 Cb 0.03 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 3ly1 h THR 348 CO -0.05 0.55 0.00 1.41 0.37 0.00 0.00 175.52 177.80 3ly1 n HIS 349 N -4.13 0.00 0.00 3.16 8.25 0.17 -1.53 115.22 121.15 3ly1 n HIS 349 Ca -0.06 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 3ly1 n HIS 349 Cb 0.61 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.63 3ly1 n HIS 349 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ly1 n ALA 351 N 0.60 0.00 0.20 -1.41 0.00 -0.31 -1.76 120.51 117.84 3ly1 n ALA 351 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3ly1 n ALA 351 Cb 0.12 0.00 0.41 0.00 0.00 0.00 0.00 19.45 19.98 3ly1 n ALA 351 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3ly1 h ASP 352 N 0.00 0.00 -0.10 0.00 3.32 -1.54 -1.27 116.42 116.83 3ly1 h ASP 352 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ly1 h ASP 352 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ly1 h ASP 352 CO 0.00 0.34 0.00 0.00 -1.72 0.00 0.00 179.24 177.86 3ly1 n ALA 353 N -2.40 2.55 -1.67 3.45 0.00 -0.72 -4.77 120.51 116.95 3ly1 n ALA 353 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3ly1 n ALA 353 Cb 0.41 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3ly1 n ALA 353 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ly1 n GLY 354 N 1.04 0.73 2.93 0.00 0.00 -0.48 -4.75 105.19 104.66 3ly1 n GLY 354 Ca 0.16 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 3ly1 n GLY 354 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ly1 s VAL 355 N -2.12 1.09 -0.36 1.61 1.01 -1.26 -0.14 120.40 120.24 3ly1 s VAL 355 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 3ly1 s VAL 355 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.30 3ly1 s VAL 355 CO 0.00 0.38 0.23 -0.76 0.00 0.00 0.00 175.10 174.95 3ly1 s LEU 356 N 1.54 4.63 0.56 3.92 1.43 -0.11 -2.12 118.68 128.53 3ly1 s LEU 356 Ca 0.02 -0.70 0.08 0.00 -1.03 0.00 0.00 54.13 52.51 3ly1 s LEU 356 Cb -0.13 -2.09 0.07 0.00 0.03 0.00 0.00 46.19 44.07 3ly1 s LEU 356 CO -0.07 -0.32 0.67 0.27 0.23 0.00 0.00 176.35 177.14 3ly1 s ILE 357 N 1.65 1.99 0.72 -0.59 -4.36 -1.26 -1.01 121.20 118.33 3ly1 s ILE 357 Ca 0.05 -1.15 -0.16 0.00 -0.26 0.00 0.00 60.65 59.12 3ly1 s ILE 357 Cb -0.18 -2.14 0.02 0.00 1.25 0.00 0.00 42.46 41.41 3ly1 s ILE 357 CO 0.09 0.00 1.20 0.61 0.24 0.00 0.00 174.94 177.08 3ly1 n GLY 358 N -2.09 0.18 3.54 6.27 0.00 -0.56 -4.61 105.19 107.93 3ly1 n GLY 358 Ca 0.10 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 3ly1 n GLY 358 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3ly1 s ARG 359 N -3.61 -0.88 0.34 1.61 1.70 -1.26 -4.76 118.95 112.09 3ly1 s ARG 359 Ca 0.78 0.42 -0.28 0.00 -0.47 0.00 0.00 55.73 56.17 3ly1 s ARG 359 Cb -0.34 -1.59 -0.10 0.00 -0.57 0.00 0.00 34.95 32.34 3ly1 s ARG 359 CO 0.46 -3.59 1.26 0.00 -1.08 0.00 0.00 175.30 172.34 3ly1 s ALA 360 N -2.72 3.42 -0.64 7.88 0.00 -1.26 -4.68 121.76 123.75 3ly1 s ALA 360 Ca 0.68 1.17 0.06 0.00 0.00 0.00 0.00 51.96 53.86 3ly1 s ALA 360 Cb -0.18 -3.44 0.22 0.00 0.00 0.00 0.00 23.12 19.71 3ly1 s ALA 360 CO 0.60 -0.57 0.63 1.19 0.00 0.00 0.00 175.76 177.60 3ly1 n PHE 361 N 0.70 3.14 -1.67 0.00 3.72 -1.26 -5.11 117.46 116.98 3ly1 n PHE 361 Ca 0.01 -4.15 -0.38 0.00 -0.05 0.00 0.00 57.45 52.88 3ly1 n PHE 361 Cb 0.43 -0.54 0.05 0.00 -0.94 0.00 0.00 39.48 38.48 3ly1 n PHE 361 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3ly1 n PRO 362 N 1.34 1.12 -0.09 -1.08 -0.04 -1.26 -1.52 135.00 133.47 3ly1 n PRO 362 Ca 0.26 0.43 0.06 0.00 -0.04 0.00 0.00 63.50 64.20 3ly1 n PRO 362 Cb 0.40 -2.34 0.22 0.00 -0.04 0.00 0.00 33.50 31.74 3ly1 n PRO 362 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3ly1 n PRO 363 N -1.21 1.48 -2.09 0.54 -0.04 -1.26 -4.90 135.00 127.52 3ly1 n PRO 363 Ca 0.14 -0.74 -0.42 0.00 -0.04 0.00 0.00 63.50 62.43 3ly1 n PRO 363 Cb 0.47 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 3ly1 n PRO 363 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ly1 n ALA 364 N 0.05 5.43 0.27 0.55 0.00 -0.58 -4.77 120.51 121.46 3ly1 n ALA 364 Ca 0.10 -4.13 0.16 0.00 0.00 0.00 0.00 53.44 49.57 3ly1 n ALA 364 Cb 0.20 -3.22 0.61 0.00 0.00 0.00 0.00 19.45 17.04 3ly1 n ALA 364 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3ly1 h ASP 365 N 5.86 0.00 -0.59 0.00 3.32 -1.95 -2.85 116.42 120.22 3ly1 h ASP 365 Ca 0.47 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.28 3ly1 h ASP 365 Cb 0.64 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.04 3ly1 h ASP 365 CO 1.73 0.03 0.20 -0.46 -1.72 0.00 0.00 179.24 179.02 3ly1 n ASN 366 N -3.13 3.61 -4.23 6.45 6.94 -1.26 -4.60 115.26 119.05 3ly1 n ASN 366 Ca 0.01 -3.48 -0.19 0.00 -0.02 0.00 0.00 54.58 50.90 3ly1 n ASN 366 Cb 0.34 -0.70 -0.12 0.00 -2.36 0.00 0.00 39.78 36.95 3ly1 n ASN 366 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3ly1 s TRP 367 N -3.13 1.41 0.04 -2.53 0.52 -1.08 -0.27 118.94 113.90 3ly1 s TRP 367 Ca 0.50 -0.49 0.04 0.00 0.02 0.00 0.00 56.10 56.17 3ly1 s TRP 367 Cb 0.42 -0.77 -0.02 0.00 -1.15 0.00 0.00 33.47 31.96 3ly1 s TRP 367 CO 0.07 0.13 -0.13 0.00 0.02 0.00 0.00 176.95 177.04 3ly1 s ARG 369 N -1.10 3.66 -0.29 0.00 3.52 -1.26 -1.40 118.95 122.09 3ly1 s ARG 369 Ca 0.01 -0.49 -0.04 0.00 -0.13 0.00 0.00 55.73 55.07 3ly1 s ARG 369 Cb -0.08 -3.49 0.02 0.00 -1.56 0.00 0.00 34.95 29.85 3ly1 s ARG 369 CO 0.01 -0.24 0.03 0.42 -0.81 0.00 0.00 175.30 174.70 3ly1 s ILE 370 N 1.66 3.46 0.65 4.11 -1.09 0.18 -1.49 121.20 128.68 3ly1 s ILE 370 Ca 0.06 -0.96 -0.16 0.00 -2.23 0.00 0.00 60.65 57.37 3ly1 s ILE 370 Cb -0.16 -2.83 -0.00 0.00 -1.58 0.00 0.00 42.46 37.89 3ly1 s ILE 370 CO 0.06 0.06 1.12 -0.44 -1.23 0.00 0.00 174.94 174.51 3ly1 s SER 371 N 1.40 5.09 -0.34 3.58 0.01 -0.67 -1.21 113.70 121.55 3ly1 s SER 371 Ca 0.00 2.06 -0.20 0.00 1.31 0.00 0.00 55.95 59.12 3ly1 s SER 371 Cb -0.18 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.49 3ly1 s SER 371 CO -0.00 -1.65 0.62 -0.76 0.41 0.00 0.00 173.24 171.87 3ly1 s LEU 372 N -4.76 4.24 0.00 2.44 1.43 0.02 -4.81 118.68 117.24 3ly1 s LEU 372 Ca 0.68 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 3ly1 s LEU 372 Cb -0.22 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.23 3ly1 s LEU 372 CO 0.40 -0.56 0.00 0.61 0.23 0.00 0.00 176.35 177.03 3ly1 n GLY 373 N 4.63 -0.78 3.72 -3.19 0.00 -1.26 -4.58 105.19 103.74 3ly1 n GLY 373 Ca -0.02 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 3ly1 n GLY 373 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ly1 s THR 374 N -0.63 2.85 0.27 2.61 -4.23 -1.26 -4.77 115.64 110.47 3ly1 s THR 374 Ca 0.00 0.27 -0.01 0.00 -1.18 0.00 0.00 61.69 60.78 3ly1 s THR 374 Cb 0.00 -2.63 0.26 0.00 1.34 0.00 0.00 72.50 71.47 3ly1 s THR 374 CO 0.00 -0.36 1.83 -0.65 -0.54 0.00 0.00 174.62 174.90 3ly1 h PRO 375 N -1.45 0.92 -0.61 3.99 0.11 -1.94 -1.57 132.00 131.45 3ly1 h PRO 375 Ca -0.45 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3ly1 h PRO 375 Cb 1.25 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3ly1 h PRO 375 CO 0.50 0.61 0.18 1.96 -0.21 0.00 0.00 178.00 181.04 3ly1 h GLN 376 N 0.95 0.96 -0.72 1.05 7.50 -2.00 -0.64 115.11 122.22 3ly1 h GLN 376 Ca 0.46 -0.21 0.00 0.00 0.50 0.00 0.00 58.65 59.40 3ly1 h GLN 376 Cb 0.42 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 27.82 3ly1 h GLN 376 CO -0.25 0.86 0.00 0.39 -1.50 0.00 0.00 178.83 178.33 3ly1 n GLU 377 N -4.37 0.22 0.00 1.46 1.02 -0.59 -2.33 120.64 116.05 3ly1 n GLU 377 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3ly1 n GLU 377 Cb 0.22 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 3ly1 n GLU 377 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3ly1 n GLN 379 N 0.55 0.00 -0.18 3.49 -0.06 -0.25 -0.98 117.38 119.95 3ly1 n GLN 379 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.90 3ly1 n GLN 379 Cb 0.07 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.26 3ly1 n GLN 379 CO 0.00 0.00 0.00 2.35 -0.20 0.00 0.00 177.06 179.21 3ly1 h TRP 380 N 0.00 1.08 -0.08 3.69 7.01 -1.73 -1.06 115.95 124.86 3ly1 h TRP 380 Ca 0.00 -0.21 -0.01 0.00 2.11 0.00 0.00 58.89 60.78 3ly1 h TRP 380 Cb 0.00 -0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 26.78 3ly1 h TRP 380 CO 0.00 1.00 0.01 0.28 -2.79 0.00 0.00 178.44 176.94 3ly1 h VAL 381 N 0.85 1.22 -0.51 2.65 2.07 -1.33 -0.43 116.25 120.76 3ly1 h VAL 381 Ca 0.14 -0.68 0.08 0.00 0.82 0.00 0.00 66.70 67.06 3ly1 h VAL 381 Cb 0.61 1.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.83 3ly1 h VAL 381 CO 0.04 0.19 0.13 0.00 0.02 0.00 0.00 177.57 177.95 3ly1 h ALA 382 N 0.77 0.60 -0.13 1.67 0.00 -1.80 -1.75 119.26 118.62 3ly1 h ALA 382 Ca 0.02 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3ly1 h ALA 382 Cb 0.29 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ly1 h ALA 382 CO 0.00 -0.28 -0.36 -0.44 0.00 0.00 0.00 179.25 178.17 3ly1 h ASP 383 N 0.27 0.27 0.00 0.00 3.32 -1.07 -1.87 116.42 117.34 3ly1 h ASP 383 Ca 0.26 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3ly1 h ASP 383 Cb 0.33 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3ly1 h ASP 383 CO -0.31 0.61 0.00 0.41 -1.72 0.00 0.00 179.24 178.23 3ly1 n THR 384 N -4.07 0.08 0.00 0.35 -1.04 -0.18 -1.66 114.28 107.77 3ly1 n THR 384 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3ly1 n THR 384 Cb 0.44 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 3ly1 n THR 384 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3ly1 n ARG 386 N 0.87 0.00 -0.05 -2.82 1.74 -0.70 -0.21 116.66 115.48 3ly1 n ARG 386 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 3ly1 n ARG 386 Cb 0.05 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.48 3ly1 n ARG 386 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3ly1 h GLU 387 N 0.00 0.76 -0.76 5.56 4.39 -1.60 -2.87 114.58 120.07 3ly1 h GLU 387 Ca 0.00 -0.48 0.06 0.00 0.34 0.00 0.00 59.36 59.28 3ly1 h GLU 387 Cb 0.00 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.65 3ly1 h GLU 387 CO 0.00 1.10 0.46 0.74 -1.16 0.00 0.00 179.01 180.15 3ly1 h PHE 388 N 0.59 0.84 -0.94 4.33 -1.00 -0.87 -2.69 116.94 117.20 3ly1 h PHE 388 Ca 0.02 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.86 3ly1 h PHE 388 Cb 1.12 -0.27 -0.06 0.00 3.61 0.00 0.00 35.95 40.35 3ly1 h PHE 388 CO 0.06 0.43 0.61 -0.09 -1.61 0.00 0.00 178.31 177.71 3ly1 h ARG 389 N 0.84 1.13 -0.02 1.51 9.65 -1.71 0.70 114.38 126.48 3ly1 h ARG 389 Ca 0.33 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.13 3ly1 h ARG 389 Cb 0.15 -0.26 -0.00 0.00 -1.39 0.00 0.00 29.97 28.47 3ly1 h ARG 389 CO -0.17 0.75 -0.03 0.87 2.80 0.00 0.00 179.97 184.19 3ly1 h LYS 390 N 1.17 0.03 -0.39 0.20 1.57 -1.36 -1.40 116.57 116.39 3ly1 h LYS 390 Ca 0.38 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3ly1 h LYS 390 Cb 0.04 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3ly1 h LYS 390 CO -0.13 0.07 0.00 0.36 -0.57 0.00 0.00 179.45 179.17 3ly1 n LYS 391 N -4.48 3.59 -1.46 3.15 2.85 -0.59 -4.97 118.16 116.25 3ly1 n LYS 391 Ca -0.03 -2.90 -0.16 0.00 -1.05 0.00 0.00 58.31 54.18 3ly1 n LYS 391 Cb 0.13 -1.94 -0.07 0.00 -0.65 0.00 0.00 35.03 32.50 3ly1 n LYS 391 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3ly1 n SER 392 N 0.03 -5.00 -0.12 -5.58 7.64 -0.53 -4.89 113.62 105.18 3ly1 n SER 392 Ca 0.23 0.40 0.13 0.00 1.01 0.00 0.00 58.87 60.64 3ly1 n SER 392 Cb 0.96 -3.91 0.41 0.00 -1.01 0.00 0.00 64.21 60.66 3ly1 n SER 392 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 3ly1 n TRP 393 N -2.51 0.00 -1.17 1.43 7.02 0.14 -4.98 117.44 117.37 3ly1 n TRP 393 Ca -0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.32 3ly1 n TRP 393 Cb 0.54 -0.21 0.00 0.00 -2.42 0.00 0.00 31.31 29.22 3ly1 n TRP 393 CO 0.00 0.00 0.00 1.51 -2.02 0.00 0.00 177.69 177.18