#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 3.34 -0.03 0.00 5.36 -1.26 -5.13 117.98 120.26 3ly1 s PHE 50 Ca 0.00 0.29 0.06 0.00 -0.96 0.00 0.00 56.93 56.32 3ly1 s PHE 50 Cb 0.00 -1.80 -0.02 0.00 -0.34 0.00 0.00 43.02 40.86 3ly1 s PHE 50 CO 0.00 0.58 -0.22 -0.08 -1.46 0.00 0.00 175.22 174.04 3ly1 s THR 51 N -1.09 2.40 0.22 0.12 -1.32 -1.26 -5.11 115.64 109.59 3ly1 s THR 51 Ca 0.19 -0.98 -0.31 0.00 -1.21 0.00 0.00 61.69 59.38 3ly1 s THR 51 Cb -0.12 -1.87 -0.15 0.00 -1.51 0.00 0.00 72.50 68.85 3ly1 s THR 51 CO 0.09 0.58 1.19 0.00 -2.21 0.00 0.00 174.62 174.28 3ly1 n ALA 52 N 2.41 -0.16 -1.92 11.08 0.00 -1.26 -4.96 120.51 125.70 3ly1 n ALA 52 Ca -0.16 0.43 -0.29 0.00 0.00 0.00 0.00 53.44 53.41 3ly1 n ALA 52 Cb 0.51 -2.09 0.04 0.00 0.00 0.00 0.00 19.45 17.92 3ly1 n ALA 52 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ly1 s PRO 53 N -0.65 2.89 0.34 0.00 0.04 -1.26 -5.06 135.00 131.29 3ly1 s PRO 53 Ca 0.69 0.38 0.04 0.00 0.04 0.00 0.00 61.00 62.14 3ly1 s PRO 53 Cb -0.77 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 3ly1 s PRO 53 CO 0.53 -0.96 0.15 -1.54 0.04 0.00 0.00 177.00 175.22 3ly1 s SER 54 N -4.34 2.00 0.33 6.66 1.04 -1.12 -4.81 113.70 113.45 3ly1 s SER 54 Ca 0.57 -1.59 0.02 0.00 0.48 0.00 0.00 55.95 55.44 3ly1 s SER 54 Cb -0.11 0.39 0.56 0.00 0.10 0.00 0.00 66.02 66.96 3ly1 s SER 54 CO 0.51 -0.88 1.91 0.71 0.98 0.00 0.00 173.24 176.46 3ly1 h THR 55 N 2.07 1.19 0.00 2.02 1.35 -1.84 -1.64 112.91 116.06 3ly1 h THR 55 Ca -0.34 -0.62 -0.03 0.00 -0.55 0.00 0.00 66.41 64.87 3ly1 h THR 55 Cb 1.25 0.63 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 3ly1 h THR 55 CO 0.54 0.24 -0.13 0.44 -0.25 0.00 0.00 175.52 176.36 3ly1 h ASP 56 N 0.70 0.00 -2.02 5.36 3.45 -1.96 -3.36 116.42 118.58 3ly1 h ASP 56 Ca 0.17 0.00 -0.54 0.00 0.43 0.00 0.00 57.03 57.08 3ly1 h ASP 56 Cb 0.18 0.00 -0.39 0.00 -0.56 0.00 0.00 39.33 38.55 3ly1 h ASP 56 CO -0.01 0.13 -1.09 -3.20 -1.57 0.00 0.00 179.24 173.50 3ly1 n ASN 57 N -3.28 0.65 -4.83 6.45 5.15 -0.86 -5.14 115.26 113.41 3ly1 n ASN 57 Ca 0.00 -2.84 -0.31 0.00 -0.60 0.00 0.00 54.58 50.83 3ly1 n ASN 57 Cb 0.38 -0.64 0.02 0.00 -0.53 0.00 0.00 39.78 39.02 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 -1.62 3.29 -0.01 1.20 0.04 -0.68 -2.79 135.00 134.44 3ly1 s PRO 58 Ca 0.37 0.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.04 3ly1 s PRO 58 Cb 0.21 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 3ly1 s PRO 58 CO -0.10 -0.82 1.41 0.42 0.04 0.00 0.00 177.00 177.96 3ly1 s ILE 59 N -2.96 3.72 -0.48 0.56 1.01 0.11 -4.95 121.20 118.22 3ly1 s ILE 59 Ca 0.58 1.09 -0.13 0.00 0.00 0.00 0.00 60.65 62.19 3ly1 s ILE 59 Cb -0.13 -3.70 0.10 0.00 0.01 0.00 0.00 42.46 38.74 3ly1 s ILE 59 CO 0.50 -0.01 0.38 -0.13 0.00 0.00 0.00 174.94 175.68 3ly1 s ARG 60 N 2.55 2.78 -0.32 2.79 0.52 -1.26 -0.74 118.95 125.27 3ly1 s ARG 60 Ca 0.64 -1.58 0.14 0.00 -0.52 0.00 0.00 55.73 54.41 3ly1 s ARG 60 Cb -0.31 -4.05 0.47 0.00 0.52 0.00 0.00 34.95 31.57 3ly1 s ARG 60 CO 0.26 -1.14 1.09 0.44 0.02 0.00 0.00 175.30 175.98 3ly1 n ILE 61 N 5.08 1.74 -0.02 1.52 -5.35 -0.35 -4.85 119.36 117.14 3ly1 n ILE 61 Ca -0.11 -3.67 0.02 0.00 -0.27 0.00 0.00 62.75 58.71 3ly1 n ILE 61 Cb 0.42 0.03 -0.09 0.00 -1.74 0.00 0.00 39.64 38.26 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 -0.48 2.20 -0.20 7.28 6.94 -1.10 -1.55 115.26 128.34 3ly1 n ASN 62 Ca 0.23 0.00 0.06 0.00 -0.02 0.00 0.00 54.58 54.85 3ly1 n ASN 62 Cb 0.82 1.28 0.08 0.00 -2.36 0.00 0.00 39.78 39.60 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 -2.10 0.00 -2.46 -2.53 3.72 -1.26 -4.41 117.46 108.41 3ly1 n PHE 63 Ca -0.08 -0.60 -0.19 0.00 -0.05 0.00 0.00 57.45 56.52 3ly1 n PHE 63 Cb 0.52 -0.10 -0.01 0.00 -0.94 0.00 0.00 39.48 38.95 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 -0.85 -5.52 -4.78 4.37 3.02 -1.26 -4.98 115.26 105.25 3ly1 n ASN 64 Ca 0.09 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.27 3ly1 n ASN 64 Cb 0.63 -4.60 -0.05 0.00 -0.61 0.00 0.00 39.78 35.15 3ly1 n ASN 64 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3ly1 s GLU 65 N -5.10 4.34 0.08 3.52 2.02 -1.26 -4.88 118.70 117.42 3ly1 s GLU 65 Ca 0.03 1.44 -0.31 0.00 0.02 0.00 0.00 54.97 56.15 3ly1 s GLU 65 Cb -0.01 -2.64 -0.08 0.00 0.10 0.00 0.00 34.13 31.49 3ly1 s GLU 65 CO 0.03 0.03 1.61 1.21 0.02 0.00 0.00 175.26 178.16 3ly1 s ASN 66 N -1.58 6.63 0.00 -0.19 3.84 -1.26 -4.87 114.94 117.51 3ly1 s ASN 66 Ca 0.55 2.47 0.27 0.00 0.21 0.00 0.00 52.86 56.36 3ly1 s ASN 66 Cb -0.21 -2.57 1.13 0.00 -0.55 0.00 0.00 41.25 39.06 3ly1 s ASN 66 CO 0.26 -0.85 1.85 -0.81 -2.79 0.00 0.00 177.10 174.76 3ly1 n PRO 67 N 5.25 0.00 -2.99 0.43 -0.04 -1.26 -4.72 135.00 131.66 3ly1 n PRO 67 Ca 0.15 0.04 -0.37 0.00 -0.04 0.00 0.00 63.50 63.29 3ly1 n PRO 67 Cb 0.40 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 3ly1 n PRO 67 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ly1 s LEU 68 N -3.02 4.38 0.00 1.53 1.43 -1.26 -4.83 118.68 116.90 3ly1 s LEU 68 Ca 0.13 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 3ly1 s LEU 68 Cb 0.17 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.72 3ly1 s LEU 68 CO 0.49 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.70 3ly1 n GLY 69 N 0.79 -2.24 3.75 -3.19 0.00 -1.26 -4.88 105.19 98.17 3ly1 n GLY 69 Ca -0.02 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.28 7.36 0.41 1.61 0.15 -1.26 -4.91 113.70 114.77 3ly1 s SER 71 Ca 0.00 2.17 0.09 0.00 0.70 0.00 0.00 55.95 58.91 3ly1 s SER 71 Cb 0.00 -2.62 0.85 0.00 -1.71 0.00 0.00 66.02 62.54 3ly1 s SER 71 CO 0.00 -0.08 1.98 -0.65 1.20 0.00 0.00 173.24 175.69 3ly1 h PRO 72 N 4.06 0.29 -0.55 5.44 0.11 -2.01 0.14 132.00 139.48 3ly1 h PRO 72 Ca -0.46 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3ly1 h PRO 72 Cb 1.21 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3ly1 h PRO 72 CO 0.68 0.33 0.23 0.87 -0.21 0.00 0.00 178.00 179.90 3ly1 h LYS 73 N 0.29 0.82 -0.65 1.05 6.56 -1.99 -1.64 116.57 121.01 3ly1 h LYS 73 Ca 0.07 -0.14 -0.06 0.00 -1.06 0.00 0.00 60.65 59.45 3ly1 h LYS 73 Cb 0.22 -0.13 -0.03 0.00 -0.57 0.00 0.00 32.23 31.72 3ly1 h LYS 73 CO 0.01 0.70 0.15 0.00 -2.06 0.00 0.00 179.45 178.25 3ly1 h ALA 74 N 1.07 0.86 -0.61 3.86 0.00 -1.53 -1.86 119.26 121.05 3ly1 h ALA 74 Ca 0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3ly1 h ALA 74 Cb 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3ly1 h ALA 74 CO -0.02 0.58 0.25 1.96 0.00 0.00 0.00 179.25 182.02 3ly1 h GLN 75 N 0.97 0.91 -0.66 0.00 4.20 -0.72 0.05 115.11 119.86 3ly1 h GLN 75 Ca 0.20 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 3ly1 h GLN 75 Cb 0.37 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 3ly1 h GLN 75 CO 0.00 0.77 0.31 0.00 -0.67 0.00 0.00 178.83 179.24 3ly1 h ALA 76 N 1.09 0.85 -0.34 3.87 0.00 -1.14 -1.83 119.26 121.76 3ly1 h ALA 76 Ca 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ly1 h ALA 76 Cb 0.20 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ly1 h ALA 76 CO -0.02 0.42 0.13 0.00 0.00 0.00 0.00 179.25 179.78 3ly1 h ALA 77 N 1.14 0.44 -0.36 0.00 0.00 -1.03 -1.27 119.26 118.18 3ly1 h ALA 77 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ly1 h ALA 77 Cb 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ly1 h ALA 77 CO -0.03 0.05 0.24 0.00 0.00 0.00 0.00 179.25 179.50 3ly1 h ALA 78 N 0.97 0.46 -0.33 0.00 0.00 -0.82 -1.63 119.26 117.91 3ly1 h ALA 78 Ca 0.11 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 3ly1 h ALA 78 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ly1 h ALA 78 CO -0.01 -0.07 -0.43 0.00 0.00 0.00 0.00 179.25 178.75 3ly1 h ARG 79 N 0.49 0.85 0.00 0.00 3.08 -1.30 -2.93 114.38 114.56 3ly1 h ARG 79 Ca 0.13 -0.46 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 3ly1 h ARG 79 Cb -0.04 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3ly1 h ARG 79 CO -0.03 1.10 -0.19 -0.44 -1.07 0.00 0.00 179.97 179.34 3ly1 h ASP 80 N 0.68 0.00 0.98 7.04 5.19 -1.02 -2.75 116.42 126.54 3ly1 h ASP 80 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3ly1 h ASP 80 Cb 1.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.52 3ly1 h ASP 80 CO 0.10 0.19 0.00 0.00 -3.12 0.00 0.00 179.24 176.41 3ly1 h ALA 81 N 1.81 1.00 -0.34 3.45 0.00 -1.10 -3.31 119.26 120.76 3ly1 h ALA 81 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ly1 h ALA 81 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3ly1 h ALA 81 CO 0.03 0.00 0.16 0.28 0.00 0.00 0.00 179.25 179.71 3ly1 h VAL 82 N 0.00 1.17 0.00 0.00 2.07 -1.56 -1.54 116.25 116.39 3ly1 h VAL 82 Ca 0.00 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3ly1 h VAL 82 Cb 0.49 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3ly1 h VAL 82 CO 0.00 0.18 -0.05 1.62 0.02 0.00 0.00 177.57 179.34 3ly1 h VAL 83 N 0.41 0.46 0.00 2.57 3.04 -1.78 -1.79 116.25 119.16 3ly1 h VAL 83 Ca 0.12 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 3ly1 h VAL 83 Cb 0.14 1.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.58 3ly1 h VAL 83 CO -0.01 0.05 -0.41 0.29 -1.01 0.00 0.00 177.57 176.48 3ly1 n LYS 84 N -3.64 0.17 -0.07 4.17 5.02 -0.65 -4.46 118.16 118.69 3ly1 n LYS 84 Ca -0.02 0.07 0.02 0.00 -2.02 0.00 0.00 58.31 56.35 3ly1 n LYS 84 Cb 0.15 -1.63 0.05 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.69 2.53 0.36 7.82 0.00 -0.67 -2.09 120.51 126.77 3ly1 n ALA 85 Ca 0.05 -0.21 0.13 0.00 0.00 0.00 0.00 53.44 53.40 3ly1 n ALA 85 Cb 0.40 -1.00 0.54 0.00 0.00 0.00 0.00 19.45 19.39 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 0.64 0.00 -3.03 0.00 -1.07 -1.78 -3.45 115.58 106.89 3ly1 h ASN 86 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 56.30 55.74 3ly1 h ASN 86 Cb 0.26 0.00 -0.15 0.00 -2.07 0.00 0.00 38.32 36.37 3ly1 h ASN 86 CO 0.01 0.00 -0.73 -0.13 0.07 0.00 0.00 177.43 176.65 3ly1 s ARG 87 N -3.40 2.00 0.31 4.14 0.52 -0.89 -5.12 118.95 116.51 3ly1 s ARG 87 Ca 0.03 -1.29 -0.29 0.00 -0.52 0.00 0.00 55.73 53.66 3ly1 s ARG 87 Cb 0.09 -2.13 -0.10 0.00 0.52 0.00 0.00 34.95 33.33 3ly1 s ARG 87 CO 0.40 0.43 1.21 0.71 0.02 0.00 0.00 175.30 178.07 3ly1 s TYR 88 N -1.69 3.30 -0.07 -0.53 2.02 -1.26 -4.93 117.35 114.19 3ly1 s TYR 88 Ca 0.24 1.55 -0.05 0.00 -0.37 0.00 0.00 57.07 58.44 3ly1 s TYR 88 Cb -0.09 -3.49 -0.23 0.00 -0.40 0.00 0.00 41.96 37.75 3ly1 s TYR 88 CO 0.15 -1.25 3.19 0.00 -1.57 0.00 0.00 175.55 176.06 3ly1 n ALA 89 N 1.01 5.71 0.10 3.71 0.00 -1.26 -4.71 120.51 125.07 3ly1 n ALA 89 Ca -0.00 -1.66 -0.13 0.00 0.00 0.00 0.00 53.44 51.65 3ly1 n ALA 89 Cb 0.43 -2.36 -0.08 0.00 0.00 0.00 0.00 19.45 17.44 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 3.50 -0.23 -0.31 0.00 1.57 -1.95 -0.88 116.57 118.26 3ly1 h LYS 90 Ca 0.19 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 3ly1 h LYS 90 Cb 1.26 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 3ly1 h LYS 90 CO 0.33 0.05 -0.20 -0.97 -0.57 0.00 0.00 179.45 178.09 3ly1 h ASN 91 N -0.51 0.58 -0.51 0.86 -1.24 -2.01 -2.71 115.58 110.04 3ly1 h ASN 91 Ca -0.02 -0.19 -0.09 0.00 0.71 0.00 0.00 56.30 56.71 3ly1 h ASN 91 Cb 0.39 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.26 3ly1 h ASN 91 CO 0.04 0.78 -0.03 -0.33 -1.29 0.00 0.00 177.43 176.61 3ly1 h GLU 92 N 0.52 0.96 -0.74 6.67 3.07 -1.89 -2.40 114.58 120.76 3ly1 h GLU 92 Ca 0.08 -0.30 -0.01 0.00 -0.50 0.00 0.00 59.36 58.64 3ly1 h GLU 92 Cb 0.63 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.42 3ly1 h GLU 92 CO 0.04 0.96 0.44 0.82 -1.40 0.00 0.00 179.01 179.88 3ly1 h ILE 93 N 0.87 1.21 0.00 3.13 2.04 -0.98 -0.92 117.51 122.87 3ly1 h ILE 93 Ca 0.16 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3ly1 h ILE 93 Cb 0.55 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3ly1 h ILE 93 CO 0.03 0.23 0.00 0.18 0.00 0.00 0.00 178.15 178.59 3ly1 n LEU 94 N -4.50 0.00 0.00 1.44 4.77 -0.90 -1.52 117.00 116.28 3ly1 n LEU 94 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3ly1 n LEU 94 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3ly1 n LEU 94 CO 0.37 0.00 0.00 -0.11 -1.33 0.00 0.00 177.39 176.32 3ly1 n LEU 96 N 0.72 0.00 -0.13 2.23 7.94 -0.35 -1.51 117.00 125.90 3ly1 n LEU 96 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.83 3ly1 n LEU 96 Cb 0.00 0.00 0.01 0.00 0.53 0.00 0.00 43.42 43.96 3ly1 n LEU 96 CO 0.00 0.00 1.02 1.23 -1.11 0.00 0.00 177.39 178.53 3ly1 h GLY 97 N 0.00 0.56 0.96 -3.96 0.00 -1.54 0.17 103.07 99.26 3ly1 h GLY 97 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.16 3ly1 h GLY 97 CO 0.00 0.17 0.35 3.43 0.00 0.00 0.00 176.54 180.49 3ly1 h ASN 98 N 0.49 0.60 -0.53 0.19 2.35 -1.53 -0.54 115.58 116.61 3ly1 h ASN 98 Ca 0.16 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.82 3ly1 h ASN 98 Cb -0.01 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3ly1 h ASN 98 CO -0.06 0.43 0.01 0.50 -1.65 0.00 0.00 177.43 176.66 3ly1 h LYS 99 N 0.71 0.92 -0.72 0.81 3.64 -1.76 -1.54 116.57 118.63 3ly1 h LYS 99 Ca 0.21 -0.29 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 3ly1 h LYS 99 Cb -0.05 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 3ly1 h LYS 99 CO -0.06 0.93 0.18 -0.07 -2.27 0.00 0.00 179.45 178.17 3ly1 h LEU 100 N 0.80 1.09 -0.21 5.20 3.38 -0.82 -1.45 115.31 123.29 3ly1 h LEU 100 Ca 0.15 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3ly1 h LEU 100 Cb 0.51 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3ly1 h LEU 100 CO 0.02 1.03 0.06 0.00 0.09 0.00 0.00 178.44 179.64 3ly1 h ALA 101 N 1.09 0.23 -0.47 1.53 0.00 -0.82 -1.65 119.26 119.17 3ly1 h ALA 101 Ca 0.23 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3ly1 h ALA 101 Cb 0.37 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3ly1 h ALA 101 CO 0.00 -0.37 0.29 0.00 0.00 0.00 0.00 179.25 179.17 3ly1 h ALA 102 N 1.15 0.59 -0.87 0.00 0.00 -1.17 -0.33 119.26 118.62 3ly1 h ALA 102 Ca 0.10 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.11 3ly1 h ALA 102 Cb 0.08 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 17.58 3ly1 h ALA 102 CO -0.11 0.07 0.46 1.25 0.00 0.00 0.00 179.25 180.91 3ly1 h HIS 103 N 0.62 0.80 -0.34 0.00 6.17 -0.91 -1.90 115.15 119.60 3ly1 h HIS 103 Ca 0.17 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.28 3ly1 h HIS 103 Cb -0.03 -0.22 0.00 0.00 2.52 0.00 0.00 27.41 29.68 3ly1 h HIS 103 CO -0.03 0.18 0.00 0.72 0.71 0.00 0.00 177.93 179.51 3ly1 n HIS 104 N -4.86 0.45 -3.87 5.26 8.25 -0.65 -4.95 115.22 114.84 3ly1 n HIS 104 Ca 0.18 -0.22 -0.25 0.00 -0.26 0.00 0.00 57.72 57.16 3ly1 n HIS 104 Cb 0.46 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.57 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 0.89 -4.23 -4.42 -0.41 6.02 -0.24 -4.64 117.38 110.35 3ly1 n GLN 105 Ca 0.17 0.51 -0.21 0.00 -0.01 0.00 0.00 57.00 57.46 3ly1 n GLN 105 Cb 0.44 -4.96 -0.10 0.00 1.02 0.00 0.00 30.24 26.65 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 -3.71 0.77 0.44 5.09 -7.23 -0.59 -4.68 120.40 110.49 3ly1 s VAL 106 Ca 0.15 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.25 3ly1 s VAL 106 Cb -0.08 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 3ly1 s VAL 106 CO 0.85 0.00 0.76 -1.61 -0.31 0.00 0.00 175.10 174.79 3ly1 s GLU 107 N -3.87 3.63 0.34 4.82 0.41 -1.26 -4.13 118.70 118.64 3ly1 s GLU 107 Ca 0.33 0.28 0.11 0.00 -0.41 0.00 0.00 54.97 55.29 3ly1 s GLU 107 Cb 0.06 -2.40 1.04 0.00 -1.78 0.00 0.00 34.13 31.05 3ly1 s GLU 107 CO 0.15 -0.11 1.60 0.00 -0.49 0.00 0.00 175.26 176.41 3ly1 h ALA 108 N 0.72 1.70 0.00 5.21 0.00 -1.91 0.28 119.26 125.26 3ly1 h ALA 108 Ca -0.47 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3ly1 h ALA 108 Cb 1.20 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3ly1 h ALA 108 CO 0.63 -0.71 0.00 -2.30 0.00 0.00 0.00 179.25 176.86 3ly1 n PRO 109 N -5.30 0.02 -0.09 0.00 -0.02 -1.26 -1.82 135.00 126.54 3ly1 n PRO 109 Ca 0.30 0.39 0.11 0.00 -2.02 0.00 0.00 63.50 62.28 3ly1 n PRO 109 Cb 1.00 -1.54 0.36 0.00 -0.02 0.00 0.00 33.50 33.30 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 -1.57 1.77 -4.34 2.55 7.64 0.09 -4.34 113.62 115.42 3ly1 n SER 110 Ca 0.02 -1.73 -0.33 0.00 1.01 0.00 0.00 58.87 57.84 3ly1 n SER 110 Cb 0.09 -0.11 -0.15 0.00 -1.01 0.00 0.00 64.21 63.03 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 -1.78 2.83 -0.22 0.44 -1.09 -0.75 -1.35 121.20 119.28 3ly1 s ILE 111 Ca 0.32 -0.75 0.02 0.00 -2.23 0.00 0.00 60.65 58.01 3ly1 s ILE 111 Cb 0.18 -2.16 0.04 0.00 -1.58 0.00 0.00 42.46 38.93 3ly1 s ILE 111 CO 0.26 0.54 -0.14 -0.22 -1.23 0.00 0.00 174.94 174.15 3ly1 s LEU 112 N 0.29 2.83 0.20 2.97 2.96 -0.61 -4.99 118.68 122.33 3ly1 s LEU 112 Ca -0.12 -1.00 -0.30 0.00 -0.22 0.00 0.00 54.13 52.49 3ly1 s LEU 112 Cb -0.16 -1.53 -0.08 0.00 0.50 0.00 0.00 46.19 44.92 3ly1 s LEU 112 CO 0.06 -0.10 0.94 -0.76 -1.32 0.00 0.00 176.35 175.18 3ly1 s LEU 113 N 1.21 4.61 0.13 -0.68 1.43 -1.26 -0.82 118.68 123.30 3ly1 s LEU 113 Ca -0.02 1.90 0.02 0.00 -1.03 0.00 0.00 54.13 55.01 3ly1 s LEU 113 Cb -0.16 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 3ly1 s LEU 113 CO -0.09 0.10 -0.05 0.42 0.23 0.00 0.00 176.35 176.96 3ly1 s THR 114 N -0.86 0.79 -1.17 5.49 -4.23 -0.38 -4.72 115.64 110.57 3ly1 s THR 114 Ca 0.43 -1.97 -0.20 0.00 -1.18 0.00 0.00 61.69 58.76 3ly1 s THR 114 Cb -0.25 -1.84 0.07 0.00 1.34 0.00 0.00 72.50 71.82 3ly1 s THR 114 CO 0.31 -0.74 1.58 0.00 -0.54 0.00 0.00 174.62 175.24 3ly1 s ALA 115 N -3.57 3.09 0.08 3.99 0.00 -1.26 -1.27 121.76 122.81 3ly1 s ALA 115 Ca 0.16 -2.65 0.00 0.00 0.00 0.00 0.00 51.96 49.47 3ly1 s ALA 115 Cb 0.05 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.61 3ly1 s ALA 115 CO -0.01 -3.41 0.00 0.41 0.00 0.00 0.00 175.76 172.75 3ly1 n GLY 116 N 5.99 -2.44 0.21 0.00 0.00 -1.19 -3.95 105.19 103.81 3ly1 n GLY 116 Ca 0.41 -1.41 0.14 0.00 0.00 0.00 0.00 46.02 45.16 3ly1 n GLY 116 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ly1 h SER 117 N -0.20 0.00 -0.74 1.61 4.64 -1.85 -3.02 113.55 113.99 3ly1 h SER 117 Ca -0.02 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.46 3ly1 h SER 117 Cb 0.19 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.15 3ly1 h SER 117 CO 0.01 0.00 -0.00 0.28 -0.87 0.00 0.00 176.83 176.24 3ly1 h SER 118 N 0.00 -0.36 0.36 4.97 0.02 -1.95 0.00 113.55 116.59 3ly1 h SER 118 Ca 0.00 0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 61.02 3ly1 h SER 118 Cb 0.62 0.34 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 3ly1 h SER 118 CO 0.00 -0.18 -0.52 -0.33 -1.14 0.00 0.00 176.83 174.66 3ly1 h GLU 119 N 0.10 0.18 -0.60 3.45 4.39 -1.65 -2.74 114.58 117.72 3ly1 h GLU 119 Ca 0.40 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.93 3ly1 h GLU 119 Cb 0.70 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 3ly1 h GLU 119 CO -0.66 0.66 0.11 0.78 -1.16 0.00 0.00 179.01 178.75 3ly1 h GLY 120 N 1.42 1.05 1.00 -3.84 0.00 -1.35 -1.26 103.07 100.09 3ly1 h GLY 120 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.65 3ly1 h GLY 120 CO 0.08 0.64 0.20 -2.22 0.00 0.00 0.00 176.54 175.24 3ly1 h ILE 121 N 0.88 1.08 -0.24 2.60 2.04 -0.94 -0.13 117.51 122.82 3ly1 h ILE 121 Ca 0.18 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3ly1 h ILE 121 Cb 0.40 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3ly1 h ILE 121 CO 0.01 0.08 0.15 -0.09 0.00 0.00 0.00 178.15 178.30 3ly1 h ARG 122 N 0.41 0.31 -0.55 2.37 2.43 -1.35 -1.29 114.38 116.71 3ly1 h ARG 122 Ca 0.11 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 3ly1 h ARG 122 Cb -0.04 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3ly1 h ARG 122 CO -0.02 0.23 -0.01 0.00 -1.51 0.00 0.00 179.97 178.65 3ly1 h ALA 123 N 1.07 0.94 -0.21 2.80 0.00 -1.06 0.11 119.26 122.91 3ly1 h ALA 123 Ca 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3ly1 h ALA 123 Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ly1 h ALA 123 CO -0.02 0.64 0.08 0.00 0.00 0.00 0.00 179.25 179.95 3ly1 h ALA 124 N 1.10 0.27 -0.25 0.00 0.00 -0.85 0.47 119.26 120.00 3ly1 h ALA 124 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3ly1 h ALA 124 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3ly1 h ALA 124 CO 0.03 -0.14 0.07 0.82 0.00 0.00 0.00 179.25 180.03 3ly1 h ILE 125 N 0.18 1.20 -0.66 0.00 1.08 -0.86 -2.92 117.51 115.53 3ly1 h ILE 125 Ca 0.07 -0.65 -0.02 0.00 -0.39 0.00 0.00 64.86 63.87 3ly1 h ILE 125 Cb 0.17 1.15 -0.03 0.00 -3.07 0.00 0.00 36.82 35.04 3ly1 h ILE 125 CO -0.01 0.21 0.32 -0.33 -0.69 0.00 0.00 178.15 177.66 3ly1 h GLU 126 N 0.24 0.93 -0.08 2.37 5.08 -0.60 0.12 114.58 122.63 3ly1 h GLU 126 Ca 0.08 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 3ly1 h GLU 126 Cb 0.25 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3ly1 h GLU 126 CO -0.00 0.72 -0.28 0.00 -1.00 0.00 0.00 179.01 178.44 3ly1 h ALA 127 N 1.42 1.38 -0.11 3.43 0.00 -0.79 -3.21 119.26 121.38 3ly1 h ALA 127 Ca 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ly1 h ALA 127 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ly1 h ALA 127 CO -0.03 0.44 0.00 0.66 0.00 0.00 0.00 179.25 180.32 3ly1 n TYR 128 N -4.16 0.15 -2.60 0.00 4.01 -0.99 -5.03 117.16 108.54 3ly1 n TYR 128 Ca -0.01 -0.35 -0.34 0.00 -0.16 0.00 0.00 57.90 57.03 3ly1 n TYR 128 Cb 0.36 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.32 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 -0.83 2.94 0.26 -0.72 0.00 0.37 -4.94 121.76 118.84 3ly1 s ALA 129 Ca 0.09 0.58 -0.19 0.00 0.00 0.00 0.00 51.96 52.44 3ly1 s ALA 129 Cb 0.05 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.96 3ly1 s ALA 129 CO 0.07 -0.21 0.65 -1.54 0.00 0.00 0.00 175.76 174.73 3ly1 s SER 130 N -1.96 -0.26 0.44 0.00 1.04 -1.26 -5.01 113.70 106.70 3ly1 s SER 130 Ca 0.65 -0.61 0.29 0.00 0.48 0.00 0.00 55.95 56.76 3ly1 s SER 130 Cb -0.16 0.68 1.06 0.00 0.10 0.00 0.00 66.02 67.70 3ly1 s SER 130 CO 0.20 -1.26 1.84 -0.07 0.98 0.00 0.00 173.24 174.93 3ly1 h LEU 131 N 2.06 0.00 0.00 2.42 3.38 -1.88 -2.72 115.31 118.57 3ly1 h LEU 131 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3ly1 h LEU 131 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3ly1 h LEU 131 CO 0.27 0.00 -0.16 -0.62 0.09 0.00 0.00 178.44 178.03 3ly1 n GLU 132 N -2.83 0.13 -3.08 1.13 4.71 -1.26 -4.80 120.64 114.64 3ly1 n GLU 132 Ca 0.02 0.08 -0.29 0.00 -0.01 0.00 0.00 57.16 56.96 3ly1 n GLU 132 Cb 0.34 -1.63 -0.03 0.00 -1.01 0.00 0.00 31.44 29.11 3ly1 n GLU 132 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ly1 s ALA 133 N -3.06 3.49 0.13 0.62 0.00 -1.03 -4.30 121.76 117.62 3ly1 s ALA 133 Ca 0.11 -0.42 0.11 0.00 0.00 0.00 0.00 51.96 51.76 3ly1 s ALA 133 Cb 0.16 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 3ly1 s ALA 133 CO 0.60 0.07 -0.25 1.14 0.00 0.00 0.00 175.76 177.33 3ly1 s GLN 134 N -3.82 1.49 -0.22 0.00 -2.07 -0.49 -2.73 119.66 111.82 3ly1 s GLN 134 Ca 0.47 -1.33 -0.08 0.00 -1.82 0.00 0.00 55.36 52.59 3ly1 s GLN 134 Cb -0.10 -1.94 -0.04 0.00 -1.09 0.00 0.00 33.01 29.84 3ly1 s GLN 134 CO 0.32 0.45 0.09 -1.17 -1.32 0.00 0.00 175.29 173.66 3ly1 s LEU 135 N -2.14 3.76 -0.24 2.60 2.96 0.37 -0.22 118.68 125.76 3ly1 s LEU 135 Ca 0.15 -0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 53.98 3ly1 s LEU 135 Cb -0.10 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 3ly1 s LEU 135 CO 0.07 0.08 0.07 -0.69 -1.32 0.00 0.00 176.35 174.55 3ly1 s VAL 136 N 0.97 4.31 0.02 1.68 1.01 0.11 0.09 120.40 128.59 3ly1 s VAL 136 Ca 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 3ly1 s VAL 136 Cb -0.14 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 3ly1 s VAL 136 CO 0.03 0.35 -0.02 0.27 0.00 0.00 0.00 175.10 175.73 3ly1 s ILE 137 N 1.55 0.11 0.53 2.22 -4.36 -0.69 -2.36 121.20 118.20 3ly1 s ILE 137 Ca 0.06 -0.94 -0.22 0.00 -0.26 0.00 0.00 60.65 59.30 3ly1 s ILE 137 Cb -0.15 -0.33 -0.06 0.00 1.25 0.00 0.00 42.46 43.18 3ly1 s ILE 137 CO 0.03 -0.51 1.24 -2.65 0.24 0.00 0.00 174.94 173.29 3ly1 n PRO 138 N 1.52 1.53 0.13 0.37 -0.02 -1.26 -0.93 135.00 136.34 3ly1 n PRO 138 Ca -0.23 0.56 0.05 0.00 -2.02 0.00 0.00 63.50 61.86 3ly1 n PRO 138 Cb 0.55 -2.42 0.50 0.00 -0.02 0.00 0.00 33.50 32.11 3ly1 n PRO 138 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3ly1 h GLU 139 N 1.33 0.27 -4.58 -0.52 4.81 -1.29 -3.37 114.58 111.23 3ly1 h GLU 139 Ca -0.49 -0.03 -0.67 0.00 -0.13 0.00 0.00 59.36 58.04 3ly1 h GLU 139 Cb 1.32 -0.05 -0.38 0.00 0.63 0.00 0.00 28.75 30.26 3ly1 h GLU 139 CO 0.56 0.23 -0.66 -1.17 -0.73 0.00 0.00 179.01 177.24 3ly1 s LEU 140 N -9.16 4.92 0.00 1.64 2.96 -1.26 -4.78 118.68 113.01 3ly1 s LEU 140 Ca -0.06 -2.15 -0.08 0.00 -0.22 0.00 0.00 54.13 51.62 3ly1 s LEU 140 Cb 0.17 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 45.19 3ly1 s LEU 140 CO 0.71 -0.43 0.42 1.07 -1.32 0.00 0.00 176.35 176.80 3ly1 n THR 141 N 4.32 0.00 -2.28 3.68 5.66 -1.26 -4.71 114.28 119.69 3ly1 n THR 141 Ca 0.02 -0.49 -0.42 0.00 -3.05 0.00 0.00 64.05 60.11 3ly1 n THR 141 Cb 0.41 0.50 -0.03 0.00 -1.55 0.00 0.00 70.33 69.67 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 -5.30 3.14 -0.34 1.09 5.04 -0.75 -4.69 117.35 115.54 3ly1 s TYR 142 Ca 0.09 1.01 0.27 0.00 -2.44 0.00 0.00 57.07 56.00 3ly1 s TYR 142 Cb -0.02 -3.59 1.00 0.00 0.35 0.00 0.00 41.96 39.70 3ly1 s TYR 142 CO 0.06 -2.04 1.80 0.78 -1.34 0.00 0.00 175.55 174.81 3ly1 h GLY 143 N 7.48 0.00 1.07 8.97 0.00 -2.01 -3.33 103.07 115.26 3ly1 h GLY 143 Ca -0.40 0.00 0.04 0.00 0.00 0.00 0.00 47.33 46.97 3ly1 h GLY 143 CO 0.87 0.00 0.52 -0.55 0.00 0.00 0.00 176.54 177.38 3ly1 h ASP 144 N 0.00 0.83 -0.18 0.19 5.19 -1.99 -1.19 116.42 119.27 3ly1 h ASP 144 Ca 0.00 -0.01 0.05 0.00 -0.62 0.00 0.00 57.03 56.45 3ly1 h ASP 144 Cb 0.55 -0.19 -0.06 0.00 0.18 0.00 0.00 39.33 39.81 3ly1 h ASP 144 CO 0.00 0.56 -0.17 1.23 -3.12 0.00 0.00 179.24 177.74 3ly1 h GLY 145 N 0.96 -0.07 1.11 2.75 0.00 -1.95 -1.47 103.07 104.40 3ly1 h GLY 145 Ca 0.32 0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.75 3ly1 h GLY 145 CO -0.10 -0.17 -0.09 -2.09 0.00 0.00 0.00 176.54 174.10 3ly1 h GLU 146 N -0.19 1.04 -0.20 4.80 4.81 -1.66 -0.77 114.58 122.42 3ly1 h GLU 146 Ca 0.11 -0.37 0.05 0.00 -0.13 0.00 0.00 59.36 59.02 3ly1 h GLU 146 Cb 0.36 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 3ly1 h GLU 146 CO -0.29 1.07 -0.12 1.25 -0.73 0.00 0.00 179.01 180.18 3ly1 h HIS 147 N 0.93 -0.30 0.00 0.92 2.76 -0.86 -0.03 115.15 118.56 3ly1 h HIS 147 Ca 0.15 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.21 3ly1 h HIS 147 Cb 0.65 0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.76 3ly1 h HIS 147 CO 0.04 -0.19 -0.67 0.74 -1.30 0.00 0.00 177.93 176.55 3ly1 h PHE 148 N -0.12 0.00 -0.65 5.26 0.04 -1.17 -2.85 116.94 117.46 3ly1 h PHE 148 Ca 0.11 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 3ly1 h PHE 148 Cb 0.29 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 3ly1 h PHE 148 CO -0.28 0.63 0.35 0.00 -0.60 0.00 0.00 178.31 178.42 3ly1 h ALA 149 N 1.37 0.83 -0.48 2.45 0.00 -0.63 -2.01 119.26 120.80 3ly1 h ALA 149 Ca -0.01 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3ly1 h ALA 149 Cb 1.49 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3ly1 h ALA 149 CO 0.08 0.36 -0.05 0.87 0.00 0.00 0.00 179.25 180.51 3ly1 h LYS 150 N 0.89 0.83 -0.81 0.00 1.57 -0.98 -2.42 116.57 115.65 3ly1 h LYS 150 Ca 0.23 -0.25 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3ly1 h LYS 150 Cb 0.05 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 3ly1 h LYS 150 CO -0.04 0.86 0.53 0.82 -0.57 0.00 0.00 179.45 181.06 3ly1 h ILE 151 N 0.76 1.09 -0.00 1.86 2.04 -1.30 -0.38 117.51 121.58 3ly1 h ILE 151 Ca 0.14 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3ly1 h ILE 151 Cb 0.53 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3ly1 h ILE 151 CO 0.03 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.35 3ly1 n ALA 152 N -2.42 2.66 -2.05 1.87 0.00 -0.77 -5.12 120.51 114.68 3ly1 n ALA 152 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 3ly1 n ALA 152 Cb 0.16 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 0.97 -2.12 3.64 0.00 0.00 -0.16 -4.58 105.19 102.94 3ly1 n GLY 153 Ca 0.21 0.28 -0.35 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.23 3.62 -0.24 1.61 2.20 -1.11 -4.82 119.74 119.78 3ly1 s LYS 155 Ca 0.06 -0.38 -0.04 0.00 -0.36 0.00 0.00 55.97 55.25 3ly1 s LYS 155 Cb -0.02 -3.04 -0.00 0.00 -1.51 0.00 0.00 37.83 33.26 3ly1 s LYS 155 CO 0.33 0.42 -0.02 0.08 -0.36 0.00 0.00 175.35 175.80 3ly1 s VAL 156 N -0.06 3.44 -0.41 4.02 1.01 -1.26 -0.48 120.40 126.66 3ly1 s VAL 156 Ca 0.05 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 3ly1 s VAL 156 Cb -0.12 -2.64 0.10 0.00 0.00 0.00 0.00 36.38 33.72 3ly1 s VAL 156 CO 0.02 0.32 0.21 -0.89 0.00 0.00 0.00 175.10 174.76 3ly1 s THR 157 N 1.46 3.53 -0.05 3.92 2.01 0.11 -4.95 115.64 121.68 3ly1 s THR 157 Ca 0.04 -1.84 -0.17 0.00 0.31 0.00 0.00 61.69 60.04 3ly1 s THR 157 Cb -0.15 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 3ly1 s THR 157 CO -0.02 -0.61 0.45 -0.54 -0.69 0.00 0.00 174.62 173.21 3ly1 s LYS 158 N 1.23 4.16 -0.20 4.92 1.02 -1.26 -1.70 119.74 127.90 3ly1 s LYS 158 Ca 0.06 0.45 -0.03 0.00 0.02 0.00 0.00 55.97 56.47 3ly1 s LYS 158 Cb -0.23 -3.33 -0.01 0.00 -0.52 0.00 0.00 37.83 33.74 3ly1 s LYS 158 CO -0.02 0.42 -0.07 0.08 -0.92 0.00 0.00 175.35 174.84 3ly1 s VAL 159 N -0.23 3.20 0.00 3.17 1.01 -0.10 -4.85 120.40 122.60 3ly1 s VAL 159 Ca 0.25 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3ly1 s VAL 159 Cb -0.16 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.78 3ly1 s VAL 159 CO 0.12 0.45 0.00 1.17 0.00 0.00 0.00 175.10 176.84 3ly1 n LYS 160 N 4.60 2.67 -3.68 2.72 4.81 -1.26 -0.80 118.16 127.22 3ly1 n LYS 160 Ca -0.18 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.04 3ly1 n LYS 160 Cb 0.51 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.52 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 3.45 0.00 3.14 1.43 0.23 -4.40 118.68 122.54 3ly1 s LEU 162 Ca 0.00 -0.67 0.05 0.00 -1.03 0.00 0.00 54.13 52.48 3ly1 s LEU 162 Cb 0.00 -2.09 0.22 0.00 0.03 0.00 0.00 46.19 44.36 3ly1 s LEU 162 CO 0.00 -0.53 1.07 -0.90 0.23 0.00 0.00 176.35 176.22 3ly1 n ASP 163 N -1.46 0.00 -1.44 2.29 5.68 -1.26 -0.97 116.55 119.39 3ly1 n ASP 163 Ca 0.01 0.37 0.07 0.00 -0.50 0.00 0.00 54.79 54.74 3ly1 n ASP 163 Cb 0.61 -0.40 0.33 0.00 -1.14 0.00 0.00 41.12 40.53 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 -1.40 4.82 -0.91 -1.12 6.94 -1.26 -4.94 115.26 117.39 3ly1 n ASN 164 Ca 0.02 -3.01 -0.12 0.00 -0.02 0.00 0.00 54.58 51.45 3ly1 n ASN 164 Cb 0.05 -0.63 -0.05 0.00 -2.36 0.00 0.00 39.78 36.79 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 0.04 0.00 -1.72 -2.53 5.03 -0.14 -5.02 117.44 113.10 3ly1 n TRP 165 Ca 0.26 0.00 -0.31 0.00 3.03 0.00 0.00 57.50 60.48 3ly1 n TRP 165 Cb 1.07 -2.81 0.03 0.00 -1.03 0.00 0.00 31.31 28.57 3ly1 n TRP 165 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3ly1 s ALA 166 N -2.03 2.79 0.42 6.99 0.00 -1.25 -4.79 121.76 123.89 3ly1 s ALA 166 Ca 0.00 0.09 -0.26 0.00 0.00 0.00 0.00 51.96 51.79 3ly1 s ALA 166 Cb 0.00 -3.16 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 3ly1 s ALA 166 CO 0.00 -1.03 1.31 -0.06 0.00 0.00 0.00 175.76 175.98 3ly1 s PHE 167 N -2.99 2.77 -0.91 0.00 0.40 -1.26 -0.60 117.98 115.38 3ly1 s PHE 167 Ca 0.58 1.40 -0.12 0.00 -0.60 0.00 0.00 56.93 58.19 3ly1 s PHE 167 Cb -0.13 -3.69 0.24 0.00 0.51 0.00 0.00 43.02 39.95 3ly1 s PHE 167 CO 0.52 -2.18 0.87 0.34 0.70 0.00 0.00 175.22 175.47 3ly1 s ASP 168 N -0.75 6.91 0.24 1.36 2.15 -1.26 -4.64 116.67 120.68 3ly1 s ASP 168 Ca 0.58 -2.98 -0.03 0.00 0.43 0.00 0.00 52.55 50.55 3ly1 s ASP 168 Cb -0.38 -2.20 0.26 0.00 -0.30 0.00 0.00 42.92 40.30 3ly1 s ASP 168 CO 0.49 -0.48 1.70 0.40 -0.17 0.00 0.00 175.17 177.11 3ly1 h ILE 169 N 4.44 1.26 -0.87 4.11 1.08 -1.96 0.96 117.51 126.53 3ly1 h ILE 169 Ca 0.13 -1.15 0.03 0.00 -0.39 0.00 0.00 64.86 63.48 3ly1 h ILE 169 Cb 0.99 1.02 -0.05 0.00 -3.07 0.00 0.00 36.82 35.71 3ly1 h ILE 169 CO 0.83 0.40 0.57 -0.33 -0.69 0.00 0.00 178.15 178.92 3ly1 h GLU 170 N 0.72 1.09 -0.55 2.37 4.39 -1.99 0.12 114.58 120.73 3ly1 h GLU 170 Ca 0.12 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.66 3ly1 h GLU 170 Cb 0.57 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3ly1 h GLU 170 CO 0.04 0.72 -0.03 0.78 -1.16 0.00 0.00 179.01 179.35 3ly1 h GLY 171 N 1.12 1.07 0.95 -3.84 0.00 -1.69 -0.68 103.07 100.00 3ly1 h GLY 171 Ca 0.34 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3ly1 h GLY 171 CO -0.10 0.75 0.17 1.41 0.00 0.00 0.00 176.54 178.76 3ly1 h LEU 172 N 0.87 0.48 -0.77 3.11 3.38 -0.49 -0.80 115.31 121.08 3ly1 h LEU 172 Ca 0.15 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3ly1 h LEU 172 Cb 0.58 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 3ly1 h LEU 172 CO 0.03 0.48 0.51 0.11 0.09 0.00 0.00 178.44 179.66 3ly1 h LYS 173 N 0.45 1.02 -0.38 1.13 1.57 -0.59 -2.52 116.57 117.24 3ly1 h LYS 173 Ca 0.12 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 3ly1 h LYS 173 Cb 0.13 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3ly1 h LYS 173 CO -0.01 0.68 -0.20 0.00 -0.57 0.00 0.00 179.45 179.34 3ly1 h ALA 174 N 1.28 0.93 -0.86 3.86 0.00 -0.98 -0.16 119.26 123.33 3ly1 h ALA 174 Ca 0.28 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3ly1 h ALA 174 Cb -0.11 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 3ly1 h ALA 174 CO -0.06 0.62 0.54 0.00 0.00 0.00 0.00 179.25 180.35 3ly1 h ALA 175 N 1.12 1.16 -0.06 0.00 0.00 -0.83 -1.91 119.26 118.74 3ly1 h ALA 175 Ca 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ly1 h ALA 175 Cb 0.69 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ly1 h ALA 175 CO 0.05 0.33 -0.09 0.28 0.00 0.00 0.00 179.25 179.82 3ly1 h VAL 176 N 1.01 1.40 -0.73 0.00 2.07 -1.23 -3.29 116.25 115.47 3ly1 h VAL 176 Ca 0.36 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3ly1 h VAL 176 Cb 0.10 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 3ly1 h VAL 176 CO -0.15 0.37 0.43 0.00 0.02 0.00 0.00 177.57 178.24 3ly1 h ALA 177 N 0.51 1.38 -0.24 1.67 0.00 -0.82 -2.96 119.26 118.80 3ly1 h ALA 177 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ly1 h ALA 177 Cb 0.64 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ly1 h ALA 177 CO 0.02 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.80 3ly1 n ALA 178 N -2.43 2.49 -2.91 0.00 0.00 -0.74 -4.81 120.51 112.13 3ly1 n ALA 178 Ca 0.08 -0.60 -0.35 0.00 0.00 0.00 0.00 53.44 52.56 3ly1 n ALA 178 Cb 0.07 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.69 3.16 -2.21 0.00 5.04 -1.12 -5.00 117.35 115.51 3ly1 s TYR 179 Ca 0.31 -0.16 0.24 0.00 -2.44 0.00 0.00 57.07 55.02 3ly1 s TYR 179 Cb 0.17 -2.15 1.09 0.00 0.35 0.00 0.00 41.96 41.42 3ly1 s TYR 179 CO 0.25 -0.10 1.74 -1.13 -1.34 0.00 0.00 175.55 174.97 3ly1 n SER 180 N 4.22 0.94 -3.18 4.32 3.41 -1.26 -4.85 113.62 117.21 3ly1 n SER 180 Ca -0.16 -1.47 -0.14 0.00 -0.26 0.00 0.00 58.87 56.84 3ly1 n SER 180 Cb 0.52 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 3ly1 n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ly1 n GLY 181 N 1.03 3.67 3.76 5.00 0.00 -1.26 -5.10 105.19 112.30 3ly1 n GLY 181 Ca 0.17 -2.27 -0.38 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.84 3.51 -0.03 1.61 0.04 -1.26 -4.90 135.00 131.13 3ly1 s PRO 182 Ca 0.03 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.16 3ly1 s PRO 182 Cb -0.00 -2.39 -0.00 0.00 0.04 0.00 0.00 34.50 32.14 3ly1 s PRO 182 CO 0.02 -0.84 -0.12 -1.12 0.04 0.00 0.00 177.00 174.98 3ly1 s SER 183 N -1.07 1.59 -0.16 6.66 0.01 -0.14 -1.39 113.70 119.20 3ly1 s SER 183 Ca 0.66 -0.25 -0.05 0.00 1.31 0.00 0.00 55.95 57.62 3ly1 s SER 183 Cb -0.36 -0.41 -0.03 0.00 0.21 0.00 0.00 66.02 65.43 3ly1 s SER 183 CO 0.43 0.11 -0.01 -0.63 0.41 0.00 0.00 173.24 173.55 3ly1 s ILE 184 N 0.09 4.15 -0.17 1.44 1.01 0.69 -4.15 121.20 124.27 3ly1 s ILE 184 Ca -0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.33 3ly1 s ILE 184 Cb -0.09 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 3ly1 s ILE 184 CO 0.01 0.48 -0.06 -0.69 0.00 0.00 0.00 174.94 174.69 3ly1 s VAL 185 N 0.36 3.55 -0.29 2.92 1.01 -1.26 0.06 120.40 126.74 3ly1 s VAL 185 Ca -0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 3ly1 s VAL 185 Cb -0.14 -2.56 0.04 0.00 0.00 0.00 0.00 36.38 33.72 3ly1 s VAL 185 CO 0.02 0.48 0.01 -0.47 0.00 0.00 0.00 175.10 175.14 3ly1 s TYR 186 N 0.72 3.21 -0.26 5.22 5.04 -1.00 -0.12 117.35 130.16 3ly1 s TYR 186 Ca -0.03 -1.65 0.01 0.00 -2.44 0.00 0.00 57.07 52.96 3ly1 s TYR 186 Cb -0.15 -2.14 0.05 0.00 0.35 0.00 0.00 41.96 40.08 3ly1 s TYR 186 CO 0.02 -0.75 -0.08 -0.51 -1.34 0.00 0.00 175.55 172.88 3ly1 s LEU 187 N 1.32 3.40 -0.21 6.97 1.43 0.36 -4.61 118.68 127.34 3ly1 s LEU 187 Ca -0.03 -1.23 -0.14 0.00 -1.03 0.00 0.00 54.13 51.70 3ly1 s LEU 187 Cb -0.19 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 3ly1 s LEU 187 CO -0.01 -0.18 0.32 -0.69 0.23 0.00 0.00 176.35 176.02 3ly1 s VAL 188 N 1.19 5.25 -0.27 -1.59 1.01 -1.26 -0.89 120.40 123.84 3ly1 s VAL 188 Ca -0.06 0.54 -0.00 0.00 0.00 0.00 0.00 61.98 62.46 3ly1 s VAL 188 Cb -0.19 -3.65 0.15 0.00 0.00 0.00 0.00 36.38 32.68 3ly1 s VAL 188 CO -0.05 0.29 0.38 0.21 0.00 0.00 0.00 175.10 175.94 3ly1 s ASN 189 N 1.00 0.45 0.54 3.32 2.47 -0.10 -2.94 114.94 119.67 3ly1 s ASN 189 Ca 0.15 -0.15 -0.21 0.00 0.42 0.00 0.00 52.86 53.08 3ly1 s ASN 189 Cb -0.14 1.05 -0.05 0.00 -1.45 0.00 0.00 41.25 40.66 3ly1 s ASN 189 CO 0.07 -0.33 1.23 -2.84 -3.72 0.00 0.00 177.10 171.50 3ly1 s PRO 190 N 2.53 3.26 0.39 0.43 0.02 -1.26 -4.25 135.00 136.12 3ly1 s PRO 190 Ca 0.11 1.91 -0.24 0.00 0.02 0.00 0.00 61.00 62.80 3ly1 s PRO 190 Cb -0.14 -2.16 -0.09 0.00 0.02 0.00 0.00 34.50 32.13 3ly1 s PRO 190 CO -0.24 -1.00 1.01 1.21 -0.33 0.00 0.00 177.00 177.65 3ly1 s ASN 191 N -1.36 6.89 -0.19 2.53 2.47 -0.26 -4.72 114.94 120.29 3ly1 s ASN 191 Ca 0.72 1.94 -0.01 0.00 0.42 0.00 0.00 52.86 55.92 3ly1 s ASN 191 Cb -0.32 -2.58 0.01 0.00 -1.45 0.00 0.00 41.25 36.91 3ly1 s ASN 191 CO 0.37 -0.39 -0.14 0.21 -3.72 0.00 0.00 177.10 173.43 3ly1 s ASN 192 N -1.69 3.58 0.00 -4.21 2.47 -1.26 -0.30 114.94 113.53 3ly1 s ASN 192 Ca 0.57 -0.55 0.22 0.00 0.42 0.00 0.00 52.86 53.53 3ly1 s ASN 192 Cb -0.19 -1.58 0.03 0.00 -1.45 0.00 0.00 41.25 38.06 3ly1 s ASN 192 CO 0.24 -0.00 1.11 -0.81 -3.72 0.00 0.00 177.10 173.91 3ly1 n PRO 193 N 4.67 1.48 0.07 0.43 -0.04 -1.26 -1.80 135.00 138.54 3ly1 n PRO 193 Ca -0.20 -1.19 -0.06 0.00 -0.04 0.00 0.00 63.50 62.01 3ly1 n PRO 193 Cb 0.50 -1.46 0.10 0.00 -0.04 0.00 0.00 33.50 32.60 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 2.89 1.38 0.00 0.52 1.35 -1.90 -3.39 112.91 113.76 3ly1 h THR 194 Ca 0.00 -2.00 0.00 0.00 -0.55 0.00 0.00 66.41 63.86 3ly1 h THR 194 Cb 0.79 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 3ly1 h THR 194 CO 0.00 0.59 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 3ly1 n GLY 195 N 0.32 1.41 3.89 5.82 0.00 0.59 -4.30 105.19 112.91 3ly1 n GLY 195 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.97 4.87 0.24 2.61 -4.23 -1.24 -0.54 115.64 114.38 3ly1 s THR 196 Ca 0.00 0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 60.91 3ly1 s THR 196 Cb 0.00 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.06 3ly1 s THR 196 CO 0.00 -0.45 0.45 0.27 -0.54 0.00 0.00 174.62 174.34 3ly1 s ILE 197 N -2.27 5.15 -0.20 2.99 -5.25 -1.26 -1.10 121.20 119.25 3ly1 s ILE 197 Ca 0.49 -0.28 -0.09 0.00 -0.99 0.00 0.00 60.65 59.78 3ly1 s ILE 197 Cb -0.10 -3.75 -0.04 0.00 2.95 0.00 0.00 42.46 41.51 3ly1 s ILE 197 CO 0.31 -0.25 0.10 -0.89 -1.79 0.00 0.00 174.94 172.42 3ly1 s THR 198 N -1.97 5.02 0.32 8.37 2.01 -1.26 -4.99 115.64 123.14 3ly1 s THR 198 Ca 0.40 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 62.16 3ly1 s THR 198 Cb -0.11 -3.29 -0.12 0.00 0.01 0.00 0.00 72.50 69.00 3ly1 s THR 198 CO 0.30 0.42 1.53 -2.65 -0.69 0.00 0.00 174.62 173.53 3ly1 n PRO 199 N 3.79 2.62 -0.23 4.92 -0.02 -1.26 -4.76 135.00 140.06 3ly1 n PRO 199 Ca -0.16 0.93 0.17 0.00 -2.02 0.00 0.00 63.50 62.42 3ly1 n PRO 199 Cb 0.52 -2.67 0.49 0.00 -0.02 0.00 0.00 33.50 31.82 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 3.96 2.13 0.00 3.55 0.00 -1.39 -1.38 119.26 126.13 3ly1 h ALA 200 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3ly1 h ALA 200 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ly1 h ALA 200 CO 0.73 -0.39 0.00 -0.40 0.00 0.00 0.00 179.25 179.19 3ly1 n ASP 201 N -4.51 0.00 -0.12 0.00 5.75 -1.26 -0.73 116.55 115.67 3ly1 n ASP 201 Ca 0.18 -0.19 -0.20 0.00 -0.01 0.00 0.00 54.79 54.56 3ly1 n ASP 201 Cb 0.62 -0.19 -0.11 0.00 -1.03 0.00 0.00 41.12 40.42 3ly1 n ASP 201 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3ly1 n VAL 202 N -1.19 1.41 -0.04 2.12 0.31 -0.54 -4.54 118.33 115.86 3ly1 n VAL 202 Ca 0.11 -0.49 -0.13 0.00 -0.01 0.00 0.00 64.34 63.82 3ly1 n VAL 202 Cb 0.12 -1.51 -0.11 0.00 -0.91 0.00 0.00 33.84 31.43 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 -0.27 1.58 -0.52 2.52 2.04 -1.29 -3.37 117.51 118.19 3ly1 h ILE 203 Ca -0.58 -1.78 0.06 0.00 1.00 0.00 0.00 64.86 63.56 3ly1 h ILE 203 Cb 1.77 2.78 -0.05 0.00 -0.74 0.00 0.00 36.82 40.57 3ly1 h ILE 203 CO -0.18 0.46 0.22 -0.33 0.00 0.00 0.00 178.15 178.32 3ly1 h GLU 204 N -0.78 0.42 -0.15 2.37 5.08 -1.21 -1.81 114.58 118.50 3ly1 h GLU 204 Ca -0.00 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 3ly1 h GLU 204 Cb 0.76 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3ly1 h GLU 204 CO 0.00 0.28 -0.32 -1.35 -1.00 0.00 0.00 179.01 176.62 3ly1 h PRO 205 N 0.43 0.29 0.52 2.33 0.11 -1.78 0.19 132.00 134.09 3ly1 h PRO 205 Ca 0.24 -0.12 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 3ly1 h PRO 205 Cb 0.22 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.32 3ly1 h PRO 205 CO -0.22 0.58 -0.25 2.35 -0.21 0.00 0.00 178.00 180.26 3ly1 h TRP 206 N 0.26 -0.65 -0.72 0.65 7.01 -1.57 -1.56 115.95 119.37 3ly1 h TRP 206 Ca 0.03 -0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.03 3ly1 h TRP 206 Cb 0.69 0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 27.93 3ly1 h TRP 206 CO 0.01 -0.40 0.48 0.82 -2.79 0.00 0.00 178.44 176.56 3ly1 h ILE 207 N -0.71 1.19 0.00 2.65 2.04 -1.20 -2.64 117.51 118.84 3ly1 h ILE 207 Ca -0.07 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 3ly1 h ILE 207 Cb 0.54 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3ly1 h ILE 207 CO 0.12 0.18 -0.03 0.00 0.00 0.00 0.00 178.15 178.42 3ly1 h ALA 208 N 1.26 1.05 0.00 1.87 0.00 -0.51 -1.84 119.26 121.09 3ly1 h ALA 208 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3ly1 h ALA 208 Cb -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ly1 h ALA 208 CO -0.06 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 178.10 3ly1 n SER 209 N -3.19 0.40 -3.49 0.00 3.41 -0.60 -4.96 113.62 105.20 3ly1 n SER 209 Ca -0.01 0.57 -0.23 0.00 -0.26 0.00 0.00 58.87 58.95 3ly1 n SER 209 Cb 0.22 -0.67 0.04 0.00 -0.26 0.00 0.00 64.21 63.55 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 -1.91 -1.54 -1.77 4.33 5.02 -0.69 -4.89 118.16 116.71 3ly1 n LYS 210 Ca 0.04 0.72 -0.41 0.00 -2.02 0.00 0.00 58.31 56.65 3ly1 n LYS 210 Cb 0.28 -4.70 0.01 0.00 -0.02 0.00 0.00 35.03 30.60 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 -3.52 2.45 -1.79 1.97 -0.04 -1.26 -4.84 135.00 127.97 3ly1 n PRO 211 Ca -0.09 0.87 -0.41 0.00 -0.04 0.00 0.00 63.50 63.83 3ly1 n PRO 211 Cb 0.59 -2.64 -0.01 0.00 -0.04 0.00 0.00 33.50 31.41 3ly1 n PRO 211 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ly1 s ALA 212 N -1.15 3.64 -1.29 0.55 0.00 -1.26 -3.20 121.76 119.04 3ly1 s ALA 212 Ca 0.57 1.58 -0.04 0.00 0.00 0.00 0.00 51.96 54.07 3ly1 s ALA 212 Cb -0.47 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.04 3ly1 s ALA 212 CO 0.61 -1.03 1.02 -1.71 0.00 0.00 0.00 175.76 174.64 3ly1 n ASN 213 N 1.06 -3.51 -2.58 0.00 2.85 -1.26 -4.83 115.26 106.99 3ly1 n ASN 213 Ca 0.03 -0.63 -0.14 0.00 -0.11 0.00 0.00 54.58 53.74 3ly1 n ASN 213 Cb 0.39 -4.87 -0.05 0.00 1.24 0.00 0.00 39.78 36.48 3ly1 n ASN 213 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 3ly1 n THR 214 N -4.47 0.00 -3.64 -0.44 -1.04 -1.19 -0.96 114.28 102.53 3ly1 n THR 214 Ca -0.17 -1.62 -0.04 0.00 -2.04 0.00 0.00 64.05 60.17 3ly1 n THR 214 Cb 0.63 0.77 -0.06 0.00 -1.82 0.00 0.00 70.33 69.85 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 -2.85 -1.19 -0.24 -1.42 0.40 -0.32 -4.87 117.98 107.48 3ly1 s PHE 216 Ca 0.25 2.22 -0.08 0.00 -0.60 0.00 0.00 56.93 58.72 3ly1 s PHE 216 Cb 0.01 0.71 -0.03 0.00 0.51 0.00 0.00 43.02 44.22 3ly1 s PHE 216 CO 0.17 -0.59 0.08 0.42 0.70 0.00 0.00 175.22 176.00 3ly1 s ILE 217 N 2.22 4.48 -0.27 0.64 1.01 0.83 -0.83 121.20 129.28 3ly1 s ILE 217 Ca -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 3ly1 s ILE 217 Cb -0.08 -3.09 0.03 0.00 0.01 0.00 0.00 42.46 39.33 3ly1 s ILE 217 CO -0.19 0.35 -0.02 -0.69 0.00 0.00 0.00 174.94 174.38 3ly1 s VAL 218 N 1.45 3.04 -0.40 2.92 1.01 0.29 -0.48 120.40 128.23 3ly1 s VAL 218 Ca 0.06 -1.11 -0.13 0.00 0.00 0.00 0.00 61.98 60.79 3ly1 s VAL 218 Cb -0.15 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.64 3ly1 s VAL 218 CO 0.04 0.08 0.27 -0.62 0.00 0.00 0.00 175.10 174.87 3ly1 s ASP 219 N 1.32 5.97 -0.46 3.32 -1.08 -0.06 -1.16 116.67 124.52 3ly1 s ASP 219 Ca -0.01 -0.95 0.03 0.00 -0.52 0.00 0.00 52.55 51.10 3ly1 s ASP 219 Cb -0.18 -2.11 0.50 0.00 -1.46 0.00 0.00 42.92 39.67 3ly1 s ASP 219 CO -0.02 -0.43 1.69 -0.62 0.52 0.00 0.00 175.17 176.30 3ly1 n GLU 220 N 5.10 2.66 -0.33 4.34 1.02 -0.43 -0.93 120.64 132.08 3ly1 n GLU 220 Ca -0.11 -3.45 0.13 0.00 -0.02 0.00 0.00 57.16 53.71 3ly1 n GLU 220 Cb 0.47 -2.17 0.31 0.00 -0.02 0.00 0.00 31.44 30.03 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 1.68 1.55 -0.68 0.62 0.00 -1.83 -2.08 119.26 118.53 3ly1 h ALA 221 Ca 0.47 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3ly1 h ALA 221 Cb 1.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3ly1 h ALA 221 CO 1.06 -0.19 0.00 0.66 0.00 0.00 0.00 179.25 180.78 3ly1 n TYR 222 N -4.89 0.90 0.05 0.00 4.01 -1.26 -4.67 117.16 111.30 3ly1 n TYR 222 Ca 0.23 -0.50 0.06 0.00 -0.16 0.00 0.00 57.90 57.53 3ly1 n TYR 222 Cb 0.61 -0.00 0.49 0.00 -0.31 0.00 0.00 39.34 40.12 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 3.96 1.83 0.00 -0.72 0.00 -1.62 -2.12 119.26 120.59 3ly1 h ALA 223 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ly1 h ALA 223 Cb 0.95 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3ly1 h ALA 223 CO 0.00 0.14 0.00 0.39 0.00 0.00 0.00 179.25 179.78 3ly1 n GLU 224 N -4.49 0.14 0.00 0.00 4.71 -1.26 -2.02 120.64 117.72 3ly1 n GLU 224 Ca 0.03 0.34 0.14 0.00 -0.01 0.00 0.00 57.16 57.66 3ly1 n GLU 224 Cb 0.11 -1.75 0.68 0.00 -1.01 0.00 0.00 31.44 29.46 3ly1 n GLU 224 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 3ly1 n PHE 225 N -2.01 0.00 -2.41 -0.32 3.72 -0.80 -4.93 117.46 110.72 3ly1 n PHE 225 Ca 0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.02 3ly1 n PHE 225 Cb 0.23 -0.35 -0.04 0.00 -0.94 0.00 0.00 39.48 38.39 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 -2.73 3.48 -0.04 -4.37 1.01 -0.85 -4.72 120.40 112.18 3ly1 s VAL 226 Ca 0.23 1.37 0.11 0.00 0.00 0.00 0.00 61.98 63.69 3ly1 s VAL 226 Cb 0.20 -3.88 -0.17 0.00 0.00 0.00 0.00 36.38 32.53 3ly1 s VAL 226 CO 0.50 0.28 0.20 0.59 0.00 0.00 0.00 175.10 176.67 3ly1 n ASN 227 N 1.72 2.39 -4.67 3.32 3.02 -1.26 -5.02 115.26 114.76 3ly1 n ASN 227 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.14 3ly1 n ASN 227 Cb 0.45 1.34 -0.03 0.00 -0.61 0.00 0.00 39.78 40.93 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 -3.55 6.92 0.00 6.41 -1.08 -1.26 -4.90 116.67 119.21 3ly1 s ASP 228 Ca -0.04 1.89 0.16 0.00 -0.52 0.00 0.00 52.55 54.04 3ly1 s ASP 228 Cb 0.06 -2.55 0.75 0.00 -1.46 0.00 0.00 42.92 39.72 3ly1 s ASP 228 CO 0.47 -0.72 1.48 -0.81 0.52 0.00 0.00 175.17 176.11 3ly1 n PRO 229 N 5.96 0.13 0.12 4.34 -0.04 -1.26 -2.24 135.00 142.02 3ly1 n PRO 229 Ca 0.13 0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.90 3ly1 n PRO 229 Cb 0.45 -1.50 0.41 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 -6.47 0.54 3.08 -1.98 -3.44 114.38 106.11 3ly1 h ARG 230 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3ly1 h ARG 230 Cb 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3ly1 h ARG 230 CO 0.00 0.00 0.29 0.12 -1.07 0.00 0.00 179.97 179.31 3ly1 s PHE 231 N -3.16 3.79 0.01 3.04 5.36 -0.95 -1.01 117.98 125.06 3ly1 s PHE 231 Ca 0.09 1.68 0.03 0.00 -0.96 0.00 0.00 56.93 57.77 3ly1 s PHE 231 Cb 0.11 -2.97 -0.01 0.00 -0.34 0.00 0.00 43.02 39.81 3ly1 s PHE 231 CO 0.57 0.23 -0.09 1.03 -1.46 0.00 0.00 175.22 175.50 3ly1 s ARG 232 N -0.03 0.69 0.54 10.12 0.52 -1.26 -4.89 118.95 124.63 3ly1 s ARG 232 Ca 0.44 -0.46 -0.22 0.00 -0.52 0.00 0.00 55.73 54.97 3ly1 s ARG 232 Cb -0.22 -0.64 -0.05 0.00 0.52 0.00 0.00 34.95 34.55 3ly1 s ARG 232 CO 0.27 0.17 1.38 0.45 0.02 0.00 0.00 175.30 177.59 3ly1 s SER 233 N -0.60 5.31 0.00 0.23 0.15 -1.26 -4.83 113.70 112.70 3ly1 s SER 233 Ca 0.01 2.83 0.30 0.00 0.70 0.00 0.00 55.95 59.78 3ly1 s SER 233 Cb -0.05 -2.64 1.36 0.00 -1.71 0.00 0.00 66.02 62.98 3ly1 s SER 233 CO 0.00 -1.55 1.98 0.00 1.20 0.00 0.00 173.24 174.88 3ly1 n ILE 234 N -0.92 0.00 -0.24 6.45 0.13 -1.26 -4.37 119.36 119.15 3ly1 n ILE 234 Ca 0.10 -0.00 0.02 0.00 -1.10 0.00 0.00 62.75 61.76 3ly1 n ILE 234 Cb 0.44 -0.50 0.10 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 -0.53 0.00 9.51 0.87 -1.98 -3.29 113.55 118.13 3ly1 h SER 235 Ca 0.00 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 3ly1 h SER 235 Cb 0.41 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 3ly1 h SER 235 CO 0.00 -0.21 0.08 -2.65 -0.53 0.00 0.00 176.83 173.52 3ly1 n PRO 236 N -5.42 0.00 0.00 2.24 -0.02 -1.26 -2.17 135.00 128.37 3ly1 n PRO 236 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3ly1 n PRO 236 Cb 0.39 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.60 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 1.96 0.00 -0.26 4.25 5.41 -1.24 -1.18 119.36 128.29 3ly1 n ILE 238 Ca 0.00 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.88 3ly1 n ILE 238 Cb 0.00 0.00 0.40 0.00 -0.71 0.00 0.00 39.64 39.33 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 0.80 -0.01 1.39 2.02 -1.70 -0.14 112.91 115.27 3ly1 h THR 239 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3ly1 h THR 239 Cb 0.00 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 3ly1 h THR 239 CO 0.00 0.12 -0.03 0.00 0.37 0.00 0.00 175.52 175.98 3ly1 n GLN 240 N -4.56 1.18 0.00 6.66 6.02 -0.33 -4.92 117.38 121.44 3ly1 n GLN 240 Ca 0.18 -0.43 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 3ly1 n GLN 240 Cb 0.52 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.28 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 1.14 1.09 3.67 1.08 0.00 -0.07 -5.08 105.19 107.02 3ly1 n GLY 241 Ca 0.20 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.69 1.10 0.06 4.61 0.00 -1.25 -4.90 120.51 119.43 3ly1 n ALA 242 Ca 0.00 0.42 0.07 0.00 0.00 0.00 0.00 53.44 53.93 3ly1 n ALA 242 Cb 0.00 -2.28 0.14 0.00 0.00 0.00 0.00 19.45 17.31 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 2.26 2.16 -0.32 0.00 1.02 -1.26 -4.17 120.64 120.32 3ly1 n GLU 243 Ca 0.13 -1.86 0.08 0.00 -0.02 0.00 0.00 57.16 55.48 3ly1 n GLU 243 Cb 0.31 -1.30 0.17 0.00 -0.02 0.00 0.00 31.44 30.60 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 0.74 2.14 -3.91 1.62 6.94 -1.26 -4.93 115.26 116.59 3ly1 n ASN 244 Ca 0.12 -3.45 -0.20 0.00 -0.02 0.00 0.00 54.58 51.03 3ly1 n ASN 244 Cb 0.42 -0.48 -0.16 0.00 -2.36 0.00 0.00 39.78 37.20 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 -3.04 0.57 -0.19 1.53 1.01 -1.26 -1.18 121.20 118.64 3ly1 s ILE 245 Ca 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.83 3ly1 s ILE 245 Cb 0.32 -0.58 0.02 0.00 0.01 0.00 0.00 42.46 42.23 3ly1 s ILE 245 CO -0.01 0.22 -0.16 -0.63 0.00 0.00 0.00 174.94 174.36 3ly1 s ILE 246 N 0.74 2.33 -0.24 2.92 1.01 -0.01 -4.43 121.20 123.52 3ly1 s ILE 246 Ca -0.10 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 3ly1 s ILE 246 Cb -0.13 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 3ly1 s ILE 246 CO 0.00 0.47 0.16 -0.22 0.00 0.00 0.00 174.94 175.36 3ly1 s LEU 247 N 1.31 4.10 -0.12 2.97 2.96 -0.07 -0.54 118.68 129.29 3ly1 s LEU 247 Ca 0.04 0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 54.02 3ly1 s LEU 247 Cb -0.14 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 3ly1 s LEU 247 CO -0.10 0.05 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.21 3ly1 s LEU 248 N 1.13 3.49 0.10 -0.68 1.43 -0.31 -0.71 118.68 123.13 3ly1 s LEU 248 Ca 0.07 0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3ly1 s LEU 248 Cb -0.14 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 3ly1 s LEU 248 CO 0.05 0.28 0.02 -0.54 0.23 0.00 0.00 176.35 176.38 3ly1 s LYS 249 N -0.27 0.79 0.07 1.70 1.02 -0.47 -1.31 119.74 121.27 3ly1 s LYS 249 Ca 0.06 -1.34 -0.11 0.00 0.02 0.00 0.00 55.97 54.60 3ly1 s LYS 249 Cb -0.12 0.22 0.01 0.00 -0.52 0.00 0.00 37.83 37.42 3ly1 s LYS 249 CO 0.02 -0.19 0.24 -0.08 -0.92 0.00 0.00 175.35 174.42 3ly1 s THR 250 N -3.99 0.11 -2.38 2.17 -1.32 -1.26 -1.38 115.64 107.59 3ly1 s THR 250 Ca 0.17 -0.93 0.22 0.00 -1.21 0.00 0.00 61.69 59.94 3ly1 s THR 250 Cb 0.08 -1.13 0.44 0.00 -1.51 0.00 0.00 72.50 70.37 3ly1 s THR 250 CO -0.03 -0.51 1.44 0.49 -2.21 0.00 0.00 174.62 173.79 3ly1 n PHE 251 N 0.22 0.45 0.41 9.09 3.01 -0.24 -4.53 117.46 125.87 3ly1 n PHE 251 Ca -0.17 -0.23 0.13 0.00 1.01 0.00 0.00 57.45 58.20 3ly1 n PHE 251 Cb 0.61 0.00 0.38 0.00 -0.01 0.00 0.00 39.48 40.46 3ly1 n PHE 251 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3ly1 h SER 252 N 3.78 0.00 0.00 4.37 0.02 -1.92 -3.18 113.55 116.62 3ly1 h SER 252 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ly1 h SER 252 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 3ly1 h SER 252 CO 0.00 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.98 3ly1 n LYS 253 N -2.66 0.00 -0.13 3.45 4.76 -1.26 -3.51 118.16 118.81 3ly1 n LYS 253 Ca 0.04 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.52 3ly1 n LYS 253 Cb 0.41 0.00 0.35 0.00 -1.84 0.00 0.00 35.03 33.96 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 1.09 0.00 -0.18 2.10 -1.84 -0.95 117.51 117.73 3ly1 h ILE 254 Ca 0.00 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.68 3ly1 h ILE 254 Cb 0.00 0.27 0.00 0.00 -1.09 0.00 0.00 36.82 36.00 3ly1 h ILE 254 CO 0.00 0.14 0.00 1.41 -1.08 0.00 0.00 178.15 178.62 3ly1 n HIS 255 N -4.46 0.00 -2.73 2.19 8.25 -1.25 -4.89 115.22 112.33 3ly1 n HIS 255 Ca 0.08 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.50 3ly1 n HIS 255 Cb 0.13 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.02 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 -1.23 -3.27 0.00 -1.41 0.00 -0.36 -4.54 120.51 109.71 3ly1 n ALA 256 Ca 0.15 0.78 0.00 0.00 0.00 0.00 0.00 53.44 54.37 3ly1 n ALA 256 Cb 0.19 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.45 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 0.23 0.00 -0.56 0.00 0.00 -1.23 -4.87 120.51 114.07 3ly1 n ALA 258 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.43 3ly1 n ALA 258 Cb 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.57 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 2.15 0.00 0.00 0.00 -1.26 -4.83 105.19 101.25 3ly1 n GLY 259 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 2.51 0.00 -3.81 1.61 5.12 -1.26 -5.09 116.66 115.73 3ly1 n ARG 261 Ca 0.22 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.88 3ly1 n ARG 261 Cb 0.52 0.00 -0.17 0.00 -1.16 0.00 0.00 32.46 31.65 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 0.67 0.12 1.55 1.01 -1.26 -3.14 120.40 119.36 3ly1 s VAL 262 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3ly1 s VAL 262 Cb 0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 3ly1 s VAL 262 CO 0.00 0.17 0.13 0.61 0.00 0.00 0.00 175.10 176.02 3ly1 n GLY 263 N 5.04 3.27 3.57 4.51 0.00 -0.40 -1.08 105.19 120.09 3ly1 n GLY 263 Ca -0.09 -1.63 -0.07 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.23 -0.29 0.07 1.61 1.13 -0.48 -1.25 117.35 114.91 3ly1 s TYR 264 Ca 0.13 0.11 0.07 0.00 -1.41 0.00 0.00 57.07 55.97 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 0.09 -0.62 -0.13 0.00 -2.51 0.00 0.00 175.55 172.38 3ly1 s ALA 265 N -3.16 2.81 -0.10 9.51 0.00 0.00 -1.36 121.76 129.46 3ly1 s ALA 265 Ca 0.07 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 50.85 3ly1 s ALA 265 Cb -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.27 3ly1 s ALA 265 CO -0.06 0.61 -0.22 0.08 0.00 0.00 0.00 175.76 176.17 3ly1 s VAL 266 N -1.08 1.90 0.21 0.00 1.01 0.11 -1.57 120.40 120.98 3ly1 s VAL 266 Ca 0.18 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 61.01 3ly1 s VAL 266 Cb -0.11 -1.66 0.06 0.00 0.00 0.00 0.00 36.38 34.67 3ly1 s VAL 266 CO 0.09 0.52 0.91 0.00 0.00 0.00 0.00 175.10 176.63 3ly1 s ALA 267 N 0.45 -1.47 0.49 5.51 0.00 -0.46 -0.90 121.76 125.39 3ly1 s ALA 267 Ca -0.17 -0.12 -0.22 0.00 0.00 0.00 0.00 51.96 51.46 3ly1 s ALA 267 Cb -0.17 0.70 -0.09 0.00 0.00 0.00 0.00 23.12 23.56 3ly1 s ALA 267 CO 0.07 -1.04 0.93 1.58 0.00 0.00 0.00 175.76 177.30 3ly1 n HIS 268 N -0.51 0.83 -0.02 0.00 -0.00 -1.26 -4.30 115.22 109.96 3ly1 n HIS 268 Ca -0.05 0.51 0.08 0.00 0.46 0.00 0.00 57.72 58.71 3ly1 n HIS 268 Cb 0.60 -2.17 0.47 0.00 -0.12 0.00 0.00 29.99 28.78 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 1.07 0.44 -0.47 1.57 0.11 -1.92 -0.93 132.00 131.86 3ly1 h PRO 269 Ca -0.46 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 3ly1 h PRO 269 Cb 1.35 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3ly1 h PRO 269 CO 0.54 0.29 0.08 1.79 -0.21 0.00 0.00 178.00 180.49 3ly1 h THR 270 N 0.45 1.22 -0.16 -1.15 1.35 -1.90 -0.09 112.91 112.63 3ly1 h THR 270 Ca 0.19 -0.82 -0.09 0.00 -0.55 0.00 0.00 66.41 65.14 3ly1 h THR 270 Cb 0.20 0.77 -0.00 0.00 -1.73 0.00 0.00 68.15 67.39 3ly1 h THR 270 CO -0.05 0.30 -0.27 0.58 -0.25 0.00 0.00 175.52 175.83 3ly1 h VAL 271 N 0.70 1.35 -0.79 6.82 2.07 -1.60 -2.84 116.25 121.98 3ly1 h VAL 271 Ca 0.15 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 3ly1 h VAL 271 Cb 0.32 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 3ly1 h VAL 271 CO 0.00 0.45 0.40 0.40 0.02 0.00 0.00 177.57 178.84 3ly1 h ILE 272 N 0.10 1.24 -0.79 4.57 1.08 -0.87 -2.57 117.51 120.27 3ly1 h ILE 272 Ca 0.01 -0.65 0.02 0.00 -0.39 0.00 0.00 64.86 63.85 3ly1 h ILE 272 Cb 0.85 0.23 -0.05 0.00 -3.07 0.00 0.00 36.82 34.78 3ly1 h ILE 272 CO 0.06 0.28 0.51 0.00 -0.69 0.00 0.00 178.15 178.32 3ly1 h ALA 273 N 1.21 1.03 0.00 1.87 0.00 -1.05 0.13 119.26 122.45 3ly1 h ALA 273 Ca 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ly1 h ALA 273 Cb 0.09 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3ly1 h ALA 273 CO -0.04 0.35 0.00 -0.11 0.00 0.00 0.00 179.25 179.45 3ly1 n LEU 274 N -4.58 0.59 0.00 0.00 7.94 -0.97 -3.23 117.00 116.76 3ly1 n LEU 274 Ca 0.09 -0.29 0.00 0.00 -1.11 0.00 0.00 56.01 54.70 3ly1 n LEU 274 Cb 0.07 -0.15 0.00 0.00 0.53 0.00 0.00 43.42 43.86 3ly1 n LEU 274 CO 0.34 0.11 0.00 0.61 -1.11 0.00 0.00 177.39 177.34 3ly1 n GLY 276 N 0.58 0.00 0.01 -3.96 0.00 0.44 -4.20 105.19 98.06 3ly1 n GLY 276 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3ly1 n GLY 276 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ly1 n ARG 277 N 0.00 0.02 -0.15 1.61 1.74 -1.20 -3.34 116.66 115.33 3ly1 n ARG 277 Ca 0.00 0.19 0.06 0.00 -0.77 0.00 0.00 57.85 57.33 3ly1 n ARG 277 Cb 0.00 -1.53 0.13 0.00 -1.02 0.00 0.00 32.46 30.04 3ly1 n ARG 277 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ly1 n TYR 278 N -1.57 0.30 -4.34 -1.55 4.01 -1.26 -4.96 117.16 107.79 3ly1 n TYR 278 Ca 0.04 -0.73 -0.19 0.00 -0.16 0.00 0.00 57.90 56.86 3ly1 n TYR 278 Cb 0.23 -0.13 -0.10 0.00 -0.31 0.00 0.00 39.34 39.02 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 -1.97 1.73 -1.35 -0.72 -7.23 -1.21 -4.75 120.40 104.90 3ly1 s VAL 279 Ca 0.23 -2.13 -0.09 0.00 -1.81 0.00 0.00 61.98 58.18 3ly1 s VAL 279 Cb 0.18 -1.98 0.11 0.00 0.56 0.00 0.00 36.38 35.25 3ly1 s VAL 279 CO 0.06 -0.54 2.17 0.00 -0.31 0.00 0.00 175.10 176.48 3ly1 n ALA 280 N -0.21 6.00 -0.62 1.32 0.00 -1.26 -4.93 120.51 120.80 3ly1 n ALA 280 Ca -0.09 -4.11 0.00 0.00 0.00 0.00 0.00 53.44 49.23 3ly1 n ALA 280 Cb 0.60 -3.05 0.00 0.00 0.00 0.00 0.00 19.45 17.00 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 2.78 -0.66 3.10 0.00 0.00 -1.26 -4.48 105.19 104.67 3ly1 n GLY 281 Ca 0.51 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 1.91 -0.40 1.61 2.02 -1.26 -4.97 118.70 117.62 3ly1 s GLU 282 Ca 0.00 -1.82 0.12 0.00 0.02 0.00 0.00 54.97 53.29 3ly1 s GLU 282 Cb 0.00 -3.51 0.38 0.00 0.10 0.00 0.00 34.13 31.10 3ly1 s GLU 282 CO 0.00 -1.04 0.84 1.63 0.02 0.00 0.00 175.26 176.71 3ly1 n LYS 283 N 4.53 1.54 -2.14 1.61 5.02 -1.26 -5.03 118.16 122.44 3ly1 n LYS 283 Ca -0.01 -3.66 -0.34 0.00 -2.02 0.00 0.00 58.31 52.28 3ly1 n LYS 283 Cb 0.41 -1.72 0.01 0.00 -0.02 0.00 0.00 35.03 33.72 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 -3.14 3.46 0.46 -0.18 -1.09 -1.26 -4.98 121.20 114.48 3ly1 s ILE 284 Ca 0.39 0.80 -0.23 0.00 -2.23 0.00 0.00 60.65 59.38 3ly1 s ILE 284 Cb 0.37 -3.30 -0.08 0.00 -1.58 0.00 0.00 42.46 37.88 3ly1 s ILE 284 CO -0.07 -0.31 1.12 0.54 -1.23 0.00 0.00 174.94 175.00 3ly1 s ASN 285 N -2.26 6.28 0.19 3.58 2.20 -1.26 -4.69 114.94 118.97 3ly1 s ASN 285 Ca 0.68 2.19 -0.12 0.00 -0.94 0.00 0.00 52.86 54.67 3ly1 s ASN 285 Cb -0.20 -2.59 0.16 0.00 -2.00 0.00 0.00 41.25 36.62 3ly1 s ASN 285 CO 0.32 -0.84 1.78 0.15 -2.94 0.00 0.00 177.10 175.57 3ly1 h PHE 286 N 2.01 0.46 -0.81 1.54 3.04 -1.93 -1.20 116.94 120.05 3ly1 h PHE 286 Ca -0.49 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.47 3ly1 h PHE 286 Cb 1.24 -0.13 -0.04 0.00 2.56 0.00 0.00 35.95 39.58 3ly1 h PHE 286 CO 0.54 0.21 0.46 0.77 -2.02 0.00 0.00 178.31 178.28 3ly1 h SER 287 N 0.49 0.99 -0.32 0.41 0.02 -1.85 -2.13 113.55 111.16 3ly1 h SER 287 Ca 0.24 -0.07 -0.18 0.00 -0.84 0.00 0.00 61.79 60.94 3ly1 h SER 287 Cb 0.18 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 3ly1 h SER 287 CO -0.18 0.78 -0.50 1.23 -1.14 0.00 0.00 176.83 177.02 3ly1 h GLY 288 N 1.15 0.99 0.94 -3.77 0.00 -1.79 -0.86 103.07 99.73 3ly1 h GLY 288 Ca 0.29 -1.11 -0.00 0.00 0.00 0.00 0.00 47.33 46.51 3ly1 h GLY 288 CO -0.05 1.00 0.05 -2.08 0.00 0.00 0.00 176.54 175.46 3ly1 h VAL 289 N 0.70 1.08 -0.23 4.60 2.07 -1.08 0.22 116.25 123.62 3ly1 h VAL 289 Ca 0.03 -0.22 -0.16 0.00 0.82 0.00 0.00 66.70 67.17 3ly1 h VAL 289 Cb 1.11 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3ly1 h VAL 289 CO 0.11 0.07 -0.51 0.44 0.02 0.00 0.00 177.57 177.71 3ly1 h ASP 290 N 0.06 0.71 -0.46 0.57 5.19 -1.39 -1.46 116.42 119.64 3ly1 h ASP 290 Ca 0.03 -0.36 -0.03 0.00 -0.62 0.00 0.00 57.03 56.05 3ly1 h ASP 290 Cb 0.07 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.36 3ly1 h ASP 290 CO -0.01 1.09 0.18 0.00 -3.12 0.00 0.00 179.24 177.38 3ly1 h ALA 291 N 0.93 0.60 -0.22 3.45 0.00 -1.04 -1.96 119.26 121.03 3ly1 h ALA 291 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ly1 h ALA 291 Cb 1.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3ly1 h ALA 291 CO 0.10 0.22 0.15 0.00 0.00 0.00 0.00 179.25 179.71 3ly1 h ALA 292 N 1.03 0.28 -0.59 0.00 0.00 -0.37 0.17 119.26 119.77 3ly1 h ALA 292 Ca 0.15 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3ly1 h ALA 292 Cb 0.20 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3ly1 h ALA 292 CO -0.01 -0.24 0.33 -0.07 0.00 0.00 0.00 179.25 179.25 3ly1 h LEU 293 N 0.30 0.49 -0.16 0.00 3.38 -1.16 -2.69 115.31 115.46 3ly1 h LEU 293 Ca 0.08 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3ly1 h LEU 293 Cb -0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3ly1 h LEU 293 CO -0.02 0.33 0.01 0.00 0.09 0.00 0.00 178.44 178.85 3ly1 h ALA 294 N 1.30 0.22 0.00 1.53 0.00 -1.07 -3.21 119.26 118.03 3ly1 h ALA 294 Ca 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ly1 h ALA 294 Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ly1 h ALA 294 CO -0.15 -0.09 0.01 0.45 0.00 0.00 0.00 179.25 179.47 3ly1 n SER 295 N -4.75 0.00 0.00 0.00 2.88 0.57 -2.30 113.62 110.01 3ly1 n SER 295 Ca -0.05 -1.01 0.00 0.00 -1.33 0.00 0.00 58.87 56.48 3ly1 n SER 295 Cb 0.21 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 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 2.02 0.00 -3.99 -3.46 3.02 -1.21 -4.50 115.26 107.14 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 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 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 6.08 0.26 6.41 -0.08 -0.97 -4.80 116.55 123.44 3ly1 n ASP 298 Ca 0.00 -3.33 0.11 0.00 -1.51 0.00 0.00 54.79 50.06 3ly1 n ASP 298 Cb 0.00 -1.33 0.69 0.00 2.34 0.00 0.00 41.12 42.83 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 5.56 0.00 -0.41 1.67 4.64 -1.92 -2.66 113.55 120.44 3ly1 h SER 299 Ca 0.25 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 3ly1 h SER 299 Cb 0.63 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 3ly1 h SER 299 CO 1.39 0.11 0.21 0.00 -0.87 0.00 0.00 176.83 177.67 3ly1 h ALA 300 N 1.89 0.53 -0.71 5.18 0.00 -1.96 -2.09 119.26 122.10 3ly1 h ALA 300 Ca -0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3ly1 h ALA 300 Cb 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3ly1 h ALA 300 CO 0.01 0.07 0.28 0.35 0.00 0.00 0.00 179.25 179.97 3ly1 h PHE 301 N 0.53 1.09 -0.60 0.00 3.57 -1.88 -2.05 116.94 117.60 3ly1 h PHE 301 Ca 0.14 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 3ly1 h PHE 301 Cb 0.09 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 3ly1 h PHE 301 CO -0.02 0.84 0.13 0.82 -2.23 0.00 0.00 178.31 177.85 3ly1 h ILE 302 N 1.02 1.24 -0.47 1.41 1.08 -1.41 0.39 117.51 120.77 3ly1 h ILE 302 Ca 0.24 -0.91 -0.02 0.00 -0.39 0.00 0.00 64.86 63.78 3ly1 h ILE 302 Cb 0.22 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 3ly1 h ILE 302 CO -0.02 0.34 0.23 0.74 -0.69 0.00 0.00 178.15 178.75 3ly1 h THR 303 N 0.90 1.19 -0.50 -0.27 2.02 -1.24 -2.15 112.91 112.85 3ly1 h THR 303 Ca 0.19 -0.52 -0.06 0.00 0.77 0.00 0.00 66.41 66.79 3ly1 h THR 303 Cb 0.35 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3ly1 h THR 303 CO 0.00 0.20 0.09 0.22 0.37 0.00 0.00 175.52 176.41 3ly1 h TYR 304 N 0.62 0.86 -0.34 3.16 3.20 -0.67 -1.21 116.97 122.60 3ly1 h TYR 304 Ca 0.16 -0.12 0.02 0.00 3.14 0.00 0.00 58.73 61.94 3ly1 h TYR 304 Cb 0.11 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 3ly1 h TYR 304 CO -0.01 0.78 0.18 1.03 -1.64 0.00 0.00 178.16 178.50 3ly1 h SER 305 N 0.70 0.27 -0.41 -2.11 0.87 -0.17 0.17 113.55 112.86 3ly1 h SER 305 Ca 0.15 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 3ly1 h SER 305 Cb 0.38 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3ly1 h SER 305 CO 0.01 0.20 0.20 0.50 -0.53 0.00 0.00 176.83 177.20 3ly1 h LYS 306 N 0.36 0.59 -0.64 2.24 3.64 -1.30 -2.74 116.57 118.71 3ly1 h LYS 306 Ca 0.14 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 3ly1 h LYS 306 Cb 0.04 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3ly1 h LYS 306 CO -0.09 0.51 0.09 -0.22 -2.27 0.00 0.00 179.45 177.47 3ly1 h LYS 307 N 0.52 1.07 -0.44 1.90 1.63 -0.60 -0.70 116.57 119.95 3ly1 h LYS 307 Ca 0.14 -0.29 -0.08 0.00 -0.85 0.00 0.00 60.65 59.57 3ly1 h LYS 307 Cb 0.12 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 3ly1 h LYS 307 CO -0.02 0.99 -0.04 1.03 -3.45 0.00 0.00 179.45 177.96 3ly1 h SER 308 N 1.00 0.80 -0.93 4.20 0.87 -1.02 -1.69 113.55 116.78 3ly1 h SER 308 Ca 0.19 -0.33 0.03 0.00 -1.23 0.00 0.00 61.79 60.45 3ly1 h SER 308 Cb 0.45 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 3ly1 h SER 308 CO 0.02 0.94 0.60 -1.13 -0.53 0.00 0.00 176.83 176.73 3ly1 h ASN 309 N 0.64 1.01 -0.81 6.23 -1.24 -1.12 -1.62 115.58 118.66 3ly1 h ASN 309 Ca 0.12 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.11 3ly1 h ASN 309 Cb 0.55 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 39.33 3ly1 h ASN 309 CO 0.03 0.70 0.48 0.44 -1.29 0.00 0.00 177.43 177.80 3ly1 h ASP 310 N 1.19 0.98 -0.24 1.15 3.32 -0.66 -1.52 116.42 120.64 3ly1 h ASP 310 Ca 0.36 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 3ly1 h ASP 310 Cb -0.03 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 3ly1 h ASP 310 CO -0.11 0.76 0.05 0.58 -1.72 0.00 0.00 179.24 178.80 3ly1 h VAL 311 N 1.12 1.22 -0.71 -1.35 2.07 -1.02 -2.70 116.25 114.87 3ly1 h VAL 311 Ca 0.29 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 67.12 3ly1 h VAL 311 Cb -0.03 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3ly1 h VAL 311 CO -0.05 0.23 0.43 0.28 0.02 0.00 0.00 177.57 178.48 3ly1 h SER 312 N 0.21 0.68 -0.00 0.57 0.02 -1.17 -2.72 113.55 111.13 3ly1 h SER 312 Ca 0.07 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3ly1 h SER 312 Cb 0.31 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3ly1 h SER 312 CO 0.00 0.45 -0.06 -0.09 -1.14 0.00 0.00 176.83 175.99 3ly1 h ARG 313 N 0.81 -0.11 -0.88 3.45 2.43 -1.13 -2.46 114.38 116.49 3ly1 h ARG 313 Ca 0.30 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.59 3ly1 h ARG 313 Cb 0.11 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.60 3ly1 h ARG 313 CO -0.15 -0.07 0.51 0.37 -1.51 0.00 0.00 179.97 179.12 3ly1 h GLN 314 N -0.11 0.79 -0.44 0.20 -0.00 -1.23 -0.26 115.11 114.05 3ly1 h GLN 314 Ca 0.03 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.60 3ly1 h GLN 314 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 27.48 27.43 3ly1 h GLN 314 CO -0.07 0.52 0.17 0.82 0.00 0.00 0.00 178.83 180.28 3ly1 h ILE 315 N 0.82 1.20 0.03 2.39 2.04 -1.18 -0.30 117.51 122.51 3ly1 h ILE 315 Ca 0.44 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 3ly1 h ILE 315 Cb 0.46 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3ly1 h ILE 315 CO -0.27 0.23 -0.02 0.25 0.00 0.00 0.00 178.15 178.34 3ly1 h LEU 316 N 0.57 -0.04 -1.39 1.44 5.85 -0.97 -2.98 115.31 117.79 3ly1 h LEU 316 Ca 0.15 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.65 3ly1 h LEU 316 Cb 0.20 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3ly1 h LEU 316 CO -0.01 0.21 0.43 -0.07 -0.34 0.00 0.00 178.44 178.66 3ly1 h LEU 317 N -0.30 0.70 -0.64 2.25 3.38 -0.96 -1.26 115.31 118.48 3ly1 h LEU 317 Ca -0.00 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ly1 h LEU 317 Cb 0.27 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3ly1 h LEU 317 CO 0.01 0.49 0.42 0.50 0.09 0.00 0.00 178.44 179.95 3ly1 h LYS 318 N 0.82 0.84 -0.54 1.13 1.63 -0.99 0.12 116.57 119.57 3ly1 h LYS 318 Ca 0.25 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.95 3ly1 h LYS 318 Cb -0.01 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.41 3ly1 h LYS 318 CO -0.06 0.56 0.17 0.00 -3.45 0.00 0.00 179.45 176.66 3ly1 h ALA 319 N 1.24 0.71 -0.44 5.00 0.00 -1.23 -1.03 119.26 123.51 3ly1 h ALA 319 Ca 0.24 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3ly1 h ALA 319 Cb -0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3ly1 h ALA 319 CO -0.05 0.38 0.06 -0.07 0.00 0.00 0.00 179.25 179.56 3ly1 h LEU 320 N 0.76 0.64 -0.23 0.00 3.38 -0.83 -0.14 115.31 118.90 3ly1 h LEU 320 Ca 0.18 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 3ly1 h LEU 320 Cb 0.29 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ly1 h LEU 320 CO -0.00 0.68 -0.37 -0.33 0.09 0.00 0.00 178.44 178.50 3ly1 h GLU 321 N 0.66 0.66 -0.95 1.13 5.08 -0.67 -0.34 114.58 120.15 3ly1 h GLU 321 Ca 0.14 -0.40 0.06 0.00 -1.00 0.00 0.00 59.36 58.17 3ly1 h GLU 321 Cb 0.32 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 3ly1 h GLU 321 CO 0.01 1.02 0.60 -0.44 -1.00 0.00 0.00 179.01 179.20 3ly1 h ASP 322 N 0.36 0.96 0.56 1.42 3.32 -0.85 -1.27 116.42 120.92 3ly1 h ASP 322 Ca 0.02 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3ly1 h ASP 322 Cb 0.97 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3ly1 h ASP 322 CO 0.09 0.61 -0.23 0.18 -1.72 0.00 0.00 179.24 178.16 3ly1 n LEU 323 N -4.55 0.41 -3.50 1.55 4.77 -0.09 -4.95 117.00 110.64 3ly1 n LEU 323 Ca 0.14 0.11 -0.20 0.00 -0.03 0.00 0.00 56.01 56.03 3ly1 n LEU 323 Cb 0.18 -0.28 0.09 0.00 -2.33 0.00 0.00 43.42 41.08 3ly1 n LEU 323 CO 0.32 0.09 0.17 0.29 -1.33 0.00 0.00 177.39 176.92 3ly1 n LYS 324 N -1.26 -7.21 -3.78 3.23 4.76 -0.27 -5.00 118.16 108.63 3ly1 n LYS 324 Ca 0.09 0.84 -0.37 0.00 -2.87 0.00 0.00 58.31 56.01 3ly1 n LYS 324 Cb 0.32 -5.88 -0.13 0.00 -1.84 0.00 0.00 35.03 27.50 3ly1 n LYS 324 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ly1 s LEU 325 N -6.77 3.65 0.43 -0.35 1.43 -0.43 -5.05 118.68 111.60 3ly1 s LEU 325 Ca 0.25 -0.59 -0.26 0.00 -1.03 0.00 0.00 54.13 52.50 3ly1 s LEU 325 Cb -0.11 -1.87 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 3ly1 s LEU 325 CO 0.73 -0.14 1.36 -2.65 0.23 0.00 0.00 176.35 175.87 3ly1 n PRO 326 N 4.86 2.11 -4.17 1.29 -0.02 -1.26 -4.61 135.00 133.20 3ly1 n PRO 326 Ca -0.15 0.75 -0.11 0.00 -2.02 0.00 0.00 63.50 61.96 3ly1 n PRO 326 Cb 0.49 -2.51 -0.10 0.00 -0.02 0.00 0.00 33.50 31.36 3ly1 n PRO 326 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3ly1 s TYR 327 N -1.19 0.94 0.31 6.00 1.13 -1.26 -0.41 117.35 122.87 3ly1 s TYR 327 Ca 0.61 -0.85 -0.07 0.00 -1.41 0.00 0.00 57.07 55.34 3ly1 s TYR 327 Cb -0.48 -0.53 -0.06 0.00 -1.10 0.00 0.00 41.96 39.79 3ly1 s TYR 327 CO 0.58 -0.11 0.61 -0.51 -2.51 0.00 0.00 175.55 173.62 3ly1 s LEU 328 N -2.94 4.01 0.32 -3.49 1.43 -0.73 -5.01 118.68 112.26 3ly1 s LEU 328 Ca 0.11 0.86 -0.28 0.00 -1.03 0.00 0.00 54.13 53.79 3ly1 s LEU 328 Cb 0.04 -3.69 -0.13 0.00 0.03 0.00 0.00 46.19 42.44 3ly1 s LEU 328 CO -0.03 -0.23 1.16 -2.65 0.23 0.00 0.00 176.35 174.83 3ly1 n PRO 329 N -0.92 1.77 -3.90 1.29 -0.02 -1.26 -4.63 135.00 127.32 3ly1 n PRO 329 Ca -0.00 0.62 -0.35 0.00 -2.02 0.00 0.00 63.50 61.75 3ly1 n PRO 329 Cb 0.54 -2.11 -0.14 0.00 -0.02 0.00 0.00 33.50 31.77 3ly1 n PRO 329 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ly1 s SER 330 N -0.41 4.50 0.00 2.55 0.15 -1.26 -3.61 113.70 115.62 3ly1 s SER 330 Ca 0.57 -0.75 0.07 0.00 0.70 0.00 0.00 55.95 56.54 3ly1 s SER 330 Cb -0.63 -1.73 0.04 0.00 -1.71 0.00 0.00 66.02 61.99 3ly1 s SER 330 CO 0.61 -0.12 0.67 -0.62 1.20 0.00 0.00 173.24 174.98 3ly1 n GLU 331 N 4.74 0.48 0.00 5.44 -0.58 0.30 -4.91 120.64 126.11 3ly1 n GLU 331 Ca -0.16 -0.82 0.00 0.00 -0.42 0.00 0.00 57.16 55.75 3ly1 n GLU 331 Cb 0.48 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 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 0.47 3.32 2.21 0.62 0.00 -1.25 -3.09 105.19 107.46 3ly1 n GLY 332 Ca 0.04 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 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 6.58 -3.58 1.61 6.94 -1.26 -4.96 115.26 120.59 3ly1 n ASN 333 Ca 0.00 -3.77 -0.12 0.00 -0.02 0.00 0.00 54.58 50.67 3ly1 n ASN 333 Cb 0.00 -0.83 -0.05 0.00 -2.36 0.00 0.00 39.78 36.55 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 -3.71 -0.33 -0.02 -2.53 -0.71 -1.26 -0.87 117.98 108.53 3ly1 s PHE 334 Ca 0.61 0.18 0.06 0.00 -1.04 0.00 0.00 56.93 56.74 3ly1 s PHE 334 Cb 0.48 0.33 -0.01 0.00 -1.21 0.00 0.00 43.02 42.61 3ly1 s PHE 334 CO 0.01 -0.69 -0.21 0.08 -1.34 0.00 0.00 175.22 173.07 3ly1 s VAL 335 N -3.20 1.64 -0.28 -2.49 1.01 0.24 -4.70 120.40 112.62 3ly1 s VAL 335 Ca -0.01 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.03 3ly1 s VAL 335 Cb 0.00 -1.37 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 3ly1 s VAL 335 CO -0.08 0.46 0.07 0.12 0.00 0.00 0.00 175.10 175.68 3ly1 s PHE 336 N -0.36 3.12 0.17 5.22 5.36 -1.26 -0.48 117.98 129.74 3ly1 s PHE 336 Ca 0.05 -0.82 0.02 0.00 -0.96 0.00 0.00 56.93 55.22 3ly1 s PHE 336 Cb -0.09 -2.25 -0.05 0.00 -0.34 0.00 0.00 43.02 40.30 3ly1 s PHE 336 CO 0.00 -0.52 -0.01 -3.38 -1.46 0.00 0.00 175.22 169.85 3ly1 s HIS 337 N 1.53 1.19 0.36 10.12 -3.43 -0.70 -1.78 115.29 122.59 3ly1 s HIS 337 Ca 0.04 -0.99 -0.07 0.00 -0.80 0.00 0.00 55.06 53.23 3ly1 s HIS 337 Cb -0.16 -0.68 -0.06 0.00 -1.43 0.00 0.00 32.58 30.25 3ly1 s HIS 337 CO 0.02 -0.18 0.67 -1.14 -2.00 0.00 0.00 174.74 172.11 3ly1 s GLN 338 N -3.90 3.68 0.10 -0.38 0.74 0.45 -1.08 119.66 119.27 3ly1 s GLN 338 Ca 0.23 0.21 0.08 0.00 0.05 0.00 0.00 55.36 55.92 3ly1 s GLN 338 Cb 0.06 -2.51 -0.03 0.00 1.10 0.00 0.00 33.01 31.62 3ly1 s GLN 338 CO 0.03 0.07 -0.19 -0.51 -0.55 0.00 0.00 175.29 174.13 3ly1 s LEU 339 N -3.80 2.30 0.00 3.68 1.43 0.19 -4.72 118.68 117.75 3ly1 s LEU 339 Ca 0.47 -0.67 0.15 0.00 -1.03 0.00 0.00 54.13 53.05 3ly1 s LEU 339 Cb -0.10 -0.80 -0.06 0.00 0.03 0.00 0.00 46.19 45.26 3ly1 s LEU 339 CO 0.32 0.03 0.77 1.33 0.23 0.00 0.00 176.35 179.03 3ly1 n VAL 340 N 1.12 0.00 -3.89 -1.59 0.24 -1.26 -4.85 118.33 108.10 3ly1 n VAL 340 Ca -0.20 -0.28 -0.21 0.00 -2.04 0.00 0.00 64.34 61.62 3ly1 n VAL 340 Cb 0.54 1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 34.00 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 -2.03 4.28 0.24 3.34 -7.23 -1.26 -5.07 120.40 112.67 3ly1 s VAL 341 Ca 0.11 -1.24 -0.31 0.00 -1.81 0.00 0.00 61.98 58.73 3ly1 s VAL 341 Cb 0.12 -3.43 -0.11 0.00 0.56 0.00 0.00 36.38 33.52 3ly1 s VAL 341 CO 0.46 -0.26 1.56 -2.84 -0.31 0.00 0.00 175.10 173.71 3ly1 s PRO 342 N -3.97 4.18 0.21 4.82 0.02 -1.26 -4.90 135.00 134.11 3ly1 s PRO 342 Ca 0.37 2.46 -0.11 0.00 0.02 0.00 0.00 61.00 63.75 3ly1 s PRO 342 Cb -0.08 -3.08 0.30 0.00 0.02 0.00 0.00 34.50 31.66 3ly1 s PRO 342 CO 0.27 -0.58 1.66 1.25 -0.33 0.00 0.00 177.00 179.27 3ly1 h LEU 343 N 5.55 -0.30 -0.85 -5.54 5.85 -1.94 -1.84 115.31 116.24 3ly1 h LEU 343 Ca -0.45 0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.47 3ly1 h LEU 343 Cb 1.21 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 42.47 3ly1 h LEU 343 CO 0.84 -0.12 0.54 0.50 -0.34 0.00 0.00 178.44 179.85 3ly1 h LYS 344 N 0.11 0.99 -0.48 1.25 1.63 -1.93 0.89 116.57 119.02 3ly1 h LYS 344 Ca 0.33 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 60.04 3ly1 h LYS 344 Cb 0.53 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 3ly1 h LYS 344 CO -0.54 0.66 0.19 -0.44 -3.45 0.00 0.00 179.45 175.86 3ly1 h ASP 345 N 1.02 0.67 -0.26 4.20 3.32 -1.76 -1.68 116.42 121.93 3ly1 h ASP 345 Ca 0.35 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3ly1 h ASP 345 Cb 0.07 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3ly1 h ASP 345 CO -0.14 0.66 0.10 0.22 -1.72 0.00 0.00 179.24 178.36 3ly1 h TYR 346 N 0.64 0.41 -0.62 4.55 3.20 -0.56 0.03 116.97 124.62 3ly1 h TYR 346 Ca 0.16 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.05 3ly1 h TYR 346 Cb 0.20 -0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.30 3ly1 h TYR 346 CO 0.00 0.43 0.33 1.96 -1.64 0.00 0.00 178.16 179.25 3ly1 h GLN 347 N 0.27 0.60 -0.02 1.82 4.20 -0.79 -2.90 115.11 118.29 3ly1 h GLN 347 Ca 0.09 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3ly1 h GLN 347 Cb 0.20 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 3ly1 h GLN 347 CO -0.01 0.40 -0.00 1.15 -0.67 0.00 0.00 178.83 179.70 3ly1 h THR 348 N 0.62 1.28 0.00 -0.54 2.02 -1.07 -0.01 112.91 115.22 3ly1 h THR 348 Ca 0.28 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.61 3ly1 h THR 348 Cb 0.18 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 3ly1 h THR 348 CO -0.18 0.22 0.00 1.41 0.37 0.00 0.00 175.52 177.34 3ly1 n HIS 349 N -4.89 0.00 0.00 3.16 8.25 -0.02 -1.20 115.22 120.52 3ly1 n HIS 349 Ca -0.08 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3ly1 n HIS 349 Cb 0.20 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 0.80 0.00 0.25 -1.41 0.00 -0.02 -2.01 120.51 118.13 3ly1 n ALA 351 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3ly1 n ALA 351 Cb 0.05 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.16 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 0.01 0.00 3.32 -1.42 -2.01 116.42 116.33 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 0.10 -0.02 0.00 -1.72 0.00 0.00 179.24 177.60 3ly1 n ALA 353 N -2.43 2.62 -0.46 3.45 0.00 -0.85 -4.72 120.51 118.11 3ly1 n ALA 353 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3ly1 n ALA 353 Cb 0.18 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 1.18 1.46 2.76 0.00 0.00 -0.75 -4.77 105.19 105.06 3ly1 n GLY 354 Ca 0.19 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 0.40 -0.33 1.61 1.01 -1.26 0.09 120.40 119.92 3ly1 s VAL 355 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 3ly1 s VAL 355 Cb 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 3ly1 s VAL 355 CO 0.00 0.17 0.23 -0.76 0.00 0.00 0.00 175.10 174.74 3ly1 s LEU 356 N 1.95 4.44 0.00 3.92 1.43 0.08 -2.42 118.68 128.09 3ly1 s LEU 356 Ca 0.04 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 52.79 3ly1 s LEU 356 Cb -0.13 -2.12 0.06 0.00 0.03 0.00 0.00 46.19 44.03 3ly1 s LEU 356 CO -0.06 -0.22 0.49 2.30 0.23 0.00 0.00 176.35 179.09 3ly1 n ILE 357 N 5.09 0.00 -1.68 -0.59 -5.35 -1.26 -1.21 119.36 114.36 3ly1 n ILE 357 Ca -0.13 -1.60 -0.35 0.00 -0.27 0.00 0.00 62.75 60.41 3ly1 n ILE 357 Cb 0.50 -0.40 0.07 0.00 -1.74 0.00 0.00 39.64 38.06 3ly1 n ILE 357 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3ly1 s GLY 358 N -3.87 2.45 1.11 3.28 0.00 -0.70 -4.53 107.32 105.06 3ly1 s GLY 358 Ca 0.37 0.87 -0.16 0.00 0.00 0.00 0.00 44.72 45.81 3ly1 s GLY 358 CO 0.24 1.27 1.10 1.09 0.00 0.00 0.00 173.10 176.79 3ly1 s ARG 359 N -3.74 -0.44 0.42 2.90 1.70 -1.26 -4.74 118.95 113.79 3ly1 s ARG 359 Ca 0.74 0.22 -0.25 0.00 -0.47 0.00 0.00 55.73 55.97 3ly1 s ARG 359 Cb -0.28 -1.66 -0.08 0.00 -0.57 0.00 0.00 34.95 32.35 3ly1 s ARG 359 CO 0.40 -3.25 1.25 0.00 -1.08 0.00 0.00 175.30 172.62 3ly1 s ALA 360 N -2.98 3.17 -0.60 7.88 0.00 -1.26 -4.65 121.76 123.32 3ly1 s ALA 360 Ca 0.68 1.12 0.06 0.00 0.00 0.00 0.00 51.96 53.82 3ly1 s ALA 360 Cb -0.14 -3.45 0.22 0.00 0.00 0.00 0.00 23.12 19.75 3ly1 s ALA 360 CO 0.57 -0.74 0.62 1.19 0.00 0.00 0.00 175.76 177.39 3ly1 n PHE 361 N -0.02 2.50 -1.80 0.00 3.72 -1.26 -5.10 117.46 115.50 3ly1 n PHE 361 Ca 0.05 -4.02 -0.38 0.00 -0.05 0.00 0.00 57.45 53.04 3ly1 n PHE 361 Cb 0.45 -0.47 0.05 0.00 -0.94 0.00 0.00 39.48 38.56 3ly1 n PHE 361 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3ly1 s PRO 362 N -1.81 3.00 -0.03 -1.08 0.04 -1.26 -0.98 135.00 132.87 3ly1 s PRO 362 Ca 0.35 2.16 0.08 0.00 0.04 0.00 0.00 61.00 63.63 3ly1 s PRO 362 Cb 0.10 -2.14 0.30 0.00 0.04 0.00 0.00 34.50 32.80 3ly1 s PRO 362 CO -0.08 -1.28 1.16 -0.35 0.04 0.00 0.00 177.00 176.49 3ly1 n PRO 363 N -1.26 2.04 -2.22 0.56 -0.04 -1.26 -4.92 135.00 127.90 3ly1 n PRO 363 Ca 0.12 -1.19 -0.42 0.00 -0.04 0.00 0.00 63.50 61.96 3ly1 n PRO 363 Cb 0.46 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.36 5.44 0.26 0.55 0.00 -0.15 -4.80 120.51 122.18 3ly1 n ALA 364 Ca 0.11 -4.24 0.15 0.00 0.00 0.00 0.00 53.44 49.46 3ly1 n ALA 364 Cb 0.39 -3.07 0.64 0.00 0.00 0.00 0.00 19.45 17.41 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 5.75 0.00 -0.46 0.00 3.32 -1.95 -2.57 116.42 120.51 3ly1 h ASP 365 Ca 0.43 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.30 3ly1 h ASP 365 Cb 0.62 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.06 3ly1 h ASP 365 CO 1.67 0.08 0.09 -0.46 -1.72 0.00 0.00 179.24 178.89 3ly1 n ASN 366 N -3.22 3.31 -4.34 6.45 6.94 -1.26 -4.58 115.26 118.56 3ly1 n ASN 366 Ca 0.00 -3.49 -0.23 0.00 -0.02 0.00 0.00 54.58 50.84 3ly1 n ASN 366 Cb 0.33 -0.65 -0.12 0.00 -2.36 0.00 0.00 39.78 36.98 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 -3.12 1.90 0.05 -2.53 0.52 -0.97 -0.64 118.94 114.16 3ly1 s TRP 367 Ca 0.47 -0.44 0.04 0.00 0.02 0.00 0.00 56.10 56.20 3ly1 s TRP 367 Cb 0.40 -0.97 -0.02 0.00 -1.15 0.00 0.00 33.47 31.73 3ly1 s TRP 367 CO 0.05 0.34 -0.13 0.00 0.02 0.00 0.00 176.95 177.23 3ly1 s ARG 369 N -1.42 3.63 -0.24 0.00 3.52 -1.26 -1.71 118.95 121.47 3ly1 s ARG 369 Ca -0.02 -0.49 -0.02 0.00 -0.13 0.00 0.00 55.73 55.07 3ly1 s ARG 369 Cb -0.09 -3.30 0.02 0.00 -1.56 0.00 0.00 34.95 30.02 3ly1 s ARG 369 CO 0.02 -0.19 -0.06 0.42 -0.81 0.00 0.00 175.30 174.68 3ly1 s ILE 370 N 1.60 3.02 0.58 4.11 -1.09 0.37 -1.72 121.20 128.07 3ly1 s ILE 370 Ca 0.06 -0.87 -0.15 0.00 -2.23 0.00 0.00 60.65 57.47 3ly1 s ILE 370 Cb -0.15 -2.48 -0.04 0.00 -1.58 0.00 0.00 42.46 38.20 3ly1 s ILE 370 CO 0.03 0.27 1.03 -0.44 -1.23 0.00 0.00 174.94 174.60 3ly1 s SER 371 N 1.37 6.05 -0.38 3.58 0.01 -0.60 -0.59 113.70 123.16 3ly1 s SER 371 Ca 0.02 1.67 -0.18 0.00 1.31 0.00 0.00 55.95 58.77 3ly1 s SER 371 Cb -0.16 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.56 3ly1 s SER 371 CO -0.04 -0.98 0.52 -0.76 0.41 0.00 0.00 173.24 172.38 3ly1 s LEU 372 N -4.56 4.46 0.00 2.44 1.43 -0.05 -4.80 118.68 117.60 3ly1 s LEU 372 Ca 0.60 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 3ly1 s LEU 372 Cb -0.13 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.52 3ly1 s LEU 372 CO 0.39 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 177.04 3ly1 n GLY 373 N 4.89 -0.38 3.70 -3.19 0.00 -1.26 -4.59 105.19 104.36 3ly1 n GLY 373 Ca -0.05 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.12 2.60 0.25 2.61 -4.23 -1.26 -4.80 115.64 110.68 3ly1 s THR 374 Ca 0.00 0.19 -0.04 0.00 -1.18 0.00 0.00 61.69 60.66 3ly1 s THR 374 Cb 0.00 -2.60 0.22 0.00 1.34 0.00 0.00 72.50 71.46 3ly1 s THR 374 CO 0.00 -0.25 1.83 -0.65 -0.54 0.00 0.00 174.62 175.01 3ly1 h PRO 375 N -1.64 0.86 -0.56 3.99 0.11 -1.94 -2.06 132.00 130.76 3ly1 h PRO 375 Ca -0.50 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.51 3ly1 h PRO 375 Cb 1.28 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3ly1 h PRO 375 CO 0.53 0.57 0.15 1.96 -0.21 0.00 0.00 178.00 181.00 3ly1 h GLN 376 N 0.89 0.86 -0.45 1.05 4.20 -2.00 -1.63 115.11 118.02 3ly1 h GLN 376 Ca 0.40 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3ly1 h GLN 376 Cb 0.30 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3ly1 h GLN 376 CO -0.22 0.76 0.00 0.39 -0.67 0.00 0.00 178.83 179.09 3ly1 n GLU 377 N -4.28 0.33 0.00 1.46 1.02 -0.77 -2.81 120.64 115.58 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 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 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 0.38 0.00 -0.24 3.49 -0.06 -0.61 -1.36 117.38 118.98 3ly1 n GLN 379 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 57.00 54.94 3ly1 n GLN 379 Cb 0.09 0.00 0.04 0.00 -4.06 0.00 0.00 30.24 26.31 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 0.91 -0.40 3.69 7.01 -1.79 -0.79 115.95 124.57 3ly1 h TRP 380 Ca 0.00 -0.02 -0.13 0.00 2.11 0.00 0.00 58.89 60.85 3ly1 h TRP 380 Cb 0.00 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.76 3ly1 h TRP 380 CO 0.00 0.64 -0.25 0.28 -2.79 0.00 0.00 178.44 176.32 3ly1 h VAL 381 N 0.90 1.28 -0.58 2.65 2.07 -1.51 -1.38 116.25 119.68 3ly1 h VAL 381 Ca 0.23 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.35 3ly1 h VAL 381 Cb 0.04 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3ly1 h VAL 381 CO -0.04 0.47 0.37 0.00 0.02 0.00 0.00 177.57 178.39 3ly1 h ALA 382 N 0.80 0.73 -0.26 1.67 0.00 -1.76 -2.83 119.26 117.61 3ly1 h ALA 382 Ca 0.08 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3ly1 h ALA 382 Cb 0.82 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ly1 h ALA 382 CO 0.07 0.19 -0.29 -0.44 0.00 0.00 0.00 179.25 178.78 3ly1 h ASP 383 N 0.78 0.53 0.00 0.00 3.32 -1.11 -1.57 116.42 118.38 3ly1 h ASP 383 Ca 0.21 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3ly1 h ASP 383 Cb -0.06 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.35 3ly1 h ASP 383 CO -0.04 0.80 0.00 0.41 -1.72 0.00 0.00 179.24 178.69 3ly1 n THR 384 N -4.09 0.16 0.00 0.35 -1.04 -0.53 -1.31 114.28 107.82 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 -0.52 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 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 0.83 0.00 -0.02 -2.82 1.74 -0.59 -0.12 116.66 115.69 3ly1 n ARG 386 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 3ly1 n ARG 386 Cb 0.09 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.56 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 0.64 -0.78 5.56 4.39 -1.49 -3.02 114.58 119.88 3ly1 h GLU 387 Ca 0.00 -0.40 0.05 0.00 0.34 0.00 0.00 59.36 59.35 3ly1 h GLU 387 Cb 0.00 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.64 3ly1 h GLU 387 CO 0.00 1.02 0.47 0.74 -1.16 0.00 0.00 179.01 180.08 3ly1 h PHE 388 N 0.49 0.87 -0.71 4.33 -1.00 -0.79 -2.79 116.94 117.34 3ly1 h PHE 388 Ca 0.01 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.81 3ly1 h PHE 388 Cb 1.11 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 40.36 3ly1 h PHE 388 CO 0.05 0.45 0.41 -0.09 -1.61 0.00 0.00 178.31 177.52 3ly1 h ARG 389 N 0.87 0.98 -0.76 1.51 9.65 -1.74 0.12 114.38 125.01 3ly1 h ARG 389 Ca 0.34 -0.10 0.18 0.00 -1.10 0.00 0.00 59.98 59.30 3ly1 h ARG 389 Cb 0.15 -0.20 -0.04 0.00 -1.39 0.00 0.00 29.97 28.48 3ly1 h ARG 389 CO -0.16 0.72 0.52 0.87 2.80 0.00 0.00 179.97 184.72 3ly1 h LYS 390 N 0.98 0.24 -0.38 0.20 1.57 -1.41 -1.12 116.57 116.65 3ly1 h LYS 390 Ca 0.25 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3ly1 h LYS 390 Cb 0.01 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3ly1 h LYS 390 CO -0.04 0.16 0.00 0.36 -0.57 0.00 0.00 179.45 179.35 3ly1 n LYS 391 N -4.43 3.07 -1.49 3.15 2.85 -0.50 -4.98 118.16 115.83 3ly1 n LYS 391 Ca 0.15 -2.50 -0.14 0.00 -1.05 0.00 0.00 58.31 54.77 3ly1 n LYS 391 Cb 0.66 -1.60 -0.05 0.00 -0.65 0.00 0.00 35.03 33.39 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 0.28 -4.65 -0.08 -5.58 7.64 -0.38 -4.90 113.62 105.95 3ly1 n SER 392 Ca 0.18 0.31 0.14 0.00 1.01 0.00 0.00 58.87 60.51 3ly1 n SER 392 Cb 0.69 -3.43 0.58 0.00 -1.01 0.00 0.00 64.21 61.04 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 -2.74 0.00 -1.17 1.43 8.01 0.27 -4.97 117.44 118.27 3ly1 n TRP 393 Ca -0.14 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.05 3ly1 n TRP 393 Cb 0.48 -0.24 0.00 0.00 -2.01 0.00 0.00 31.31 29.54 3ly1 n TRP 393 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.69 178.19