#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ber s GLU 48 N 0.00 4.51 0.28 1.61 2.56 -1.26 -4.87 118.70 121.52 2ber s GLU 48 Ca 0.00 1.30 -0.30 0.00 0.00 0.00 0.00 54.97 55.97 2ber s GLU 48 Cb 0.00 -3.48 -0.12 0.00 2.00 0.00 0.00 34.13 32.53 2ber s GLU 48 CO 0.00 -0.09 1.54 -2.30 -0.56 0.00 0.00 175.26 173.85 2ber n PRO 49 N 4.12 2.50 -4.53 4.30 -0.02 -1.26 -4.76 135.00 135.35 2ber n PRO 49 Ca 0.05 0.89 -0.26 0.00 -2.02 0.00 0.00 63.50 62.16 2ber n PRO 49 Cb 0.51 -2.63 -0.17 0.00 -0.02 0.00 0.00 33.50 31.19 2ber n PRO 49 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2ber s LEU 50 N -0.31 1.65 -0.15 2.45 2.96 -1.26 -4.87 118.68 119.15 2ber s LEU 50 Ca 0.65 -0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 54.16 2ber s LEU 50 Cb -0.54 -0.93 0.07 0.00 0.50 0.00 0.00 46.19 45.28 2ber s LEU 50 CO 0.49 0.02 0.31 -0.47 -1.32 0.00 0.00 176.35 175.38 2ber s TYR 51 N 0.83 -0.51 0.03 5.38 5.04 -1.26 -2.43 117.35 124.44 2ber s TYR 51 Ca -0.11 1.10 -0.00 0.00 -2.44 0.00 0.00 57.07 55.62 2ber s TYR 51 Cb -0.15 0.07 -0.03 0.00 0.35 0.00 0.00 41.96 42.20 2ber s TYR 51 CO 0.02 -0.37 -0.03 0.95 -1.34 0.00 0.00 175.55 174.77 2ber s THR 52 N 2.29 0.20 0.06 4.34 -4.23 -0.69 -5.00 115.64 112.61 2ber s THR 52 Ca -0.01 -1.24 -0.10 0.00 -1.18 0.00 0.00 61.69 59.16 2ber s THR 52 Cb -0.12 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 73.00 2ber s THR 52 CO -0.10 -0.66 0.21 -1.83 -0.54 0.00 0.00 174.62 171.71 2ber s GLU 53 N -2.32 0.79 -0.10 3.99 -1.05 -1.26 -1.55 118.70 117.18 2ber s GLU 53 Ca -0.07 -0.76 -0.17 0.00 -0.15 0.00 0.00 54.97 53.82 2ber s GLU 53 Cb -0.04 0.33 0.04 0.00 -0.44 0.00 0.00 34.13 34.02 2ber s GLU 53 CO -0.04 -0.24 0.43 1.14 0.95 0.00 0.00 175.26 177.50 2ber s GLN 54 N -3.16 0.64 0.19 -4.83 -2.07 0.23 -5.00 119.66 105.66 2ber s GLN 54 Ca -0.00 0.31 -0.30 0.00 -1.82 0.00 0.00 55.36 53.55 2ber s GLN 54 Cb 0.02 0.30 -0.08 0.00 -1.09 0.00 0.00 33.01 32.16 2ber s GLN 54 CO -0.07 -0.14 1.23 -0.51 -1.32 0.00 0.00 175.29 174.48 2ber s ASP 55 N -0.46 7.03 -0.12 12.60 1.01 -1.26 -0.40 116.67 135.07 2ber s ASP 55 Ca -0.06 2.29 0.16 0.00 0.71 0.00 0.00 52.55 55.64 2ber s ASP 55 Cb -0.03 -2.61 -0.23 0.00 1.01 0.00 0.00 42.92 41.06 2ber s ASP 55 CO 0.03 -0.42 0.16 0.18 0.21 0.00 0.00 175.17 175.33 2ber n LEU 56 N 2.52 0.00 -3.76 1.23 4.77 0.27 -4.87 117.00 117.16 2ber n LEU 56 Ca 0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 2ber n LEU 56 Cb 0.44 0.28 -0.12 0.00 -2.33 0.00 0.00 43.42 41.69 2ber n LEU 56 CO 0.56 0.28 -0.12 0.00 -1.33 0.00 0.00 177.39 176.79 2ber s ALA 57 N -2.65 -0.55 -0.20 -1.18 0.00 -0.80 -4.97 121.76 111.41 2ber s ALA 57 Ca -0.08 0.82 0.01 0.00 0.00 0.00 0.00 51.96 52.71 2ber s ALA 57 Cb 0.07 -0.50 0.04 0.00 0.00 0.00 0.00 23.12 22.73 2ber s ALA 57 CO 0.69 -0.15 -0.11 0.08 0.00 0.00 0.00 175.76 176.27 2ber s VAL 58 N 0.70 1.71 0.04 0.00 1.01 -1.26 -1.49 120.40 121.11 2ber s VAL 58 Ca -0.05 -1.01 -0.38 0.00 0.00 0.00 0.00 61.98 60.54 2ber s VAL 58 Cb -0.06 -1.75 -0.19 0.00 0.00 0.00 0.00 36.38 34.38 2ber s VAL 58 CO -0.04 0.21 1.15 0.59 0.00 0.00 0.00 175.10 177.01 2ber n ASN 59 N 4.67 0.57 0.00 3.32 3.02 -0.14 -0.97 115.26 125.73 2ber n ASN 59 Ca -0.15 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.54 2ber n ASN 59 Cb 0.47 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 2ber n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ber n GLY 60 N 1.88 0.66 3.27 7.41 0.00 -0.32 -4.94 105.19 113.16 2ber n GLY 60 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 2ber n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ber s ARG 61 N -0.04 1.45 -0.26 1.61 1.81 -0.14 -4.85 118.95 118.53 2ber s ARG 61 Ca 0.00 -0.99 0.00 0.00 -1.72 0.00 0.00 55.73 53.02 2ber s ARG 61 Cb 0.00 -1.59 0.00 0.00 -0.45 0.00 0.00 34.95 32.91 2ber s ARG 61 CO 0.00 0.40 0.00 0.39 -0.68 0.00 0.00 175.30 175.41 2ber n GLU 62 N 1.77 -0.29 0.00 3.54 -0.58 -1.26 -4.03 120.64 119.78 2ber n GLU 62 Ca -0.17 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 2ber n GLU 62 Cb 0.53 -3.96 0.00 0.00 -0.57 0.00 0.00 31.44 27.44 2ber n GLU 62 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ber n GLY 63 N -2.45 1.14 2.99 0.62 0.00 -1.26 -5.11 105.19 101.12 2ber n GLY 63 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 2ber n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ber s PHE 64 N -2.00 0.52 -0.78 1.61 0.08 -1.26 -4.98 117.98 111.18 2ber s PHE 64 Ca 0.00 -0.23 0.25 0.00 0.12 0.00 0.00 56.93 57.07 2ber s PHE 64 Cb 0.00 -0.33 0.93 0.00 -0.57 0.00 0.00 43.02 43.06 2ber s PHE 64 CO 0.00 -0.04 1.78 -0.35 -0.10 0.00 0.00 175.22 176.51 2ber n PRO 65 N 2.43 0.16 -3.70 0.24 -0.04 -1.26 -1.17 135.00 131.66 2ber n PRO 65 Ca -0.16 0.20 -0.12 0.00 -0.04 0.00 0.00 63.50 63.37 2ber n PRO 65 Cb 0.57 -1.71 -0.09 0.00 -0.04 0.00 0.00 33.50 32.22 2ber n PRO 65 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2ber s ASN 66 N -3.96 -0.55 -0.04 3.54 3.84 -1.25 -3.25 114.94 113.28 2ber s ASN 66 Ca 0.10 1.03 0.02 0.00 0.21 0.00 0.00 52.86 54.21 2ber s ASN 66 Cb 0.13 1.01 0.01 0.00 -0.55 0.00 0.00 41.25 41.85 2ber s ASN 66 CO 0.51 -0.18 -0.07 -0.31 -2.79 0.00 0.00 177.10 174.26 2ber s TYR 67 N 0.56 0.92 0.22 0.43 2.02 -1.26 -1.17 117.35 119.07 2ber s TYR 67 Ca -0.02 -0.27 -0.16 0.00 -0.37 0.00 0.00 57.07 56.25 2ber s TYR 67 Cb -0.04 -0.72 0.01 0.00 -0.40 0.00 0.00 41.96 40.81 2ber s TYR 67 CO -0.03 -0.17 0.53 1.03 -1.57 0.00 0.00 175.55 175.34 2ber s ARG 68 N 0.59 1.49 0.00 -0.62 0.52 -1.10 -4.47 118.95 115.37 2ber s ARG 68 Ca -0.09 -1.02 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 2ber s ARG 68 Cb -0.12 0.51 0.00 0.00 0.52 0.00 0.00 34.95 35.86 2ber s ARG 68 CO 0.01 -0.64 0.00 -0.89 0.02 0.00 0.00 175.30 173.80 2ber n ILE 69 N -0.37 -1.37 -2.87 1.52 2.08 -1.26 -0.55 119.36 116.54 2ber n ILE 69 Ca -0.06 0.00 -0.38 0.00 0.56 0.00 0.00 62.75 62.87 2ber n ILE 69 Cb 0.62 -3.19 -0.06 0.00 -0.75 0.00 0.00 39.64 36.25 2ber n ILE 69 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2ber s PRO 70 N -1.66 4.55 -0.01 0.38 0.04 -1.26 -3.94 135.00 133.11 2ber s PRO 70 Ca 0.00 1.23 0.01 0.00 0.04 0.00 0.00 61.00 62.28 2ber s PRO 70 Cb 0.00 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.59 2ber s PRO 70 CO 0.00 0.38 -0.03 0.00 0.04 0.00 0.00 177.00 177.39 2ber s ALA 71 N -1.47 0.26 -0.08 8.56 0.00 0.01 -3.32 121.76 125.72 2ber s ALA 71 Ca 0.45 -0.09 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 2ber s ALA 71 Cb -0.20 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 22.85 2ber s ALA 71 CO 0.25 0.04 0.21 -1.17 0.00 0.00 0.00 175.76 175.09 2ber s LEU 72 N 0.09 1.00 0.28 0.00 2.96 -1.26 -0.26 118.68 121.49 2ber s LEU 72 Ca -0.01 0.43 -0.12 0.00 -0.22 0.00 0.00 54.13 54.22 2ber s LEU 72 Cb -0.03 0.69 0.00 0.00 0.50 0.00 0.00 46.19 47.35 2ber s LEU 72 CO -0.00 -0.10 0.52 0.28 -1.32 0.00 0.00 176.35 175.73 2ber s THR 73 N 0.44 0.00 -0.12 3.68 -1.32 -0.73 -4.74 115.64 112.85 2ber s THR 73 Ca -0.03 -1.38 0.03 0.00 -1.21 0.00 0.00 61.69 59.10 2ber s THR 73 Cb -0.04 -2.34 0.01 0.00 -1.51 0.00 0.00 72.50 68.62 2ber s THR 73 CO -0.02 0.00 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.49 2ber s VAL 74 N -3.67 1.93 0.71 5.08 1.01 -1.26 -0.91 120.40 123.29 2ber s VAL 74 Ca 0.22 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 2ber s VAL 74 Cb -0.01 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.67 2ber s VAL 74 CO 0.11 0.53 1.09 0.42 0.00 0.00 0.00 175.10 177.25 2ber s THR 75 N 0.71 3.57 0.54 3.92 -4.23 0.46 -4.88 115.64 115.73 2ber s THR 75 Ca -0.10 0.51 0.31 0.00 -1.18 0.00 0.00 61.69 61.22 2ber s THR 75 Cb -0.16 -3.48 0.46 0.00 1.34 0.00 0.00 72.50 70.66 2ber s THR 75 CO 0.01 -0.67 1.90 -0.65 -0.54 0.00 0.00 174.62 174.68 2ber h PRO 76 N -0.66 0.00 -0.28 3.99 0.11 -1.90 0.18 132.00 133.44 2ber h PRO 76 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2ber h PRO 76 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2ber h PRO 76 CO 0.63 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.17 2ber n ASP 77 N -4.22 1.89 0.00 -2.05 8.00 -1.26 -4.93 116.55 113.97 2ber n ASP 77 Ca 0.16 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.80 2ber n ASP 77 Cb 0.89 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 2ber n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ber n GLY 78 N 1.12 0.71 3.77 0.44 0.00 0.05 -5.05 105.19 106.23 2ber n GLY 78 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2ber n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ber s ASP 79 N -2.79 7.05 -0.04 1.61 1.01 -1.26 -4.71 116.67 117.54 2ber s ASP 79 Ca 0.00 2.12 -0.18 0.00 0.71 0.00 0.00 52.55 55.19 2ber s ASP 79 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 2ber s ASP 79 CO 0.00 -0.28 0.51 -0.76 0.21 0.00 0.00 175.17 174.85 2ber s LEU 80 N -2.03 4.38 -0.10 1.23 1.02 -0.59 -0.41 118.68 122.20 2ber s LEU 80 Ca 0.51 1.00 0.03 0.00 0.02 0.00 0.00 54.13 55.69 2ber s LEU 80 Cb -0.26 -2.77 -0.01 0.00 0.02 0.00 0.00 46.19 43.17 2ber s LEU 80 CO 0.33 0.12 -0.20 -0.76 0.02 0.00 0.00 176.35 175.86 2ber s LEU 81 N -0.14 2.32 -0.17 1.79 1.43 -0.09 -0.96 118.68 122.86 2ber s LEU 81 Ca 0.27 -0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 52.92 2ber s LEU 81 Cb -0.17 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.58 2ber s LEU 81 CO 0.14 0.19 -0.14 0.00 0.23 0.00 0.00 176.35 176.77 2ber s ALA 82 N 0.15 2.52 0.16 4.21 0.00 -0.15 -1.78 121.76 126.87 2ber s ALA 82 Ca -0.11 -1.11 0.09 0.00 0.00 0.00 0.00 51.96 50.83 2ber s ALA 82 Cb -0.16 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 2ber s ALA 82 CO 0.06 -0.19 -0.20 0.45 0.00 0.00 0.00 175.76 175.89 2ber s SER 83 N 1.06 2.82 -0.06 0.00 0.15 0.64 -0.63 113.70 117.68 2ber s SER 83 Ca -0.01 -0.85 -0.31 0.00 0.70 0.00 0.00 55.95 55.49 2ber s SER 83 Cb -0.15 -0.17 0.11 0.00 -1.71 0.00 0.00 66.02 64.10 2ber s SER 83 CO -0.04 0.00 1.04 -0.72 1.20 0.00 0.00 173.24 174.72 2ber s TYR 84 N -1.89 -0.23 0.22 3.44 -0.85 -1.05 -0.81 117.35 116.19 2ber s TYR 84 Ca 0.16 0.11 -0.30 0.00 -0.52 0.00 0.00 57.07 56.52 2ber s TYR 84 Cb -0.07 0.54 -0.09 0.00 0.38 0.00 0.00 41.96 42.73 2ber s TYR 84 CO 0.07 -0.43 1.10 -0.51 -1.52 0.00 0.00 175.55 174.26 2ber s ASP 85 N -2.46 7.28 -0.16 -0.18 1.11 0.29 -0.95 116.67 121.60 2ber s ASP 85 Ca 0.08 2.17 -0.12 0.00 0.18 0.00 0.00 52.55 54.86 2ber s ASP 85 Cb -0.01 -2.61 -0.05 0.00 1.07 0.00 0.00 42.92 41.32 2ber s ASP 85 CO -0.06 -0.17 0.22 -0.83 1.18 0.00 0.00 175.17 175.51 2ber s GLY 86 N -0.48 2.16 -0.42 0.21 0.00 -0.06 -2.69 107.32 106.04 2ber s GLY 86 Ca 0.47 -0.54 0.03 0.00 0.00 0.00 0.00 44.72 44.68 2ber s GLY 86 CO 0.37 0.20 0.16 0.50 0.00 0.00 0.00 173.10 174.34 2ber s ARG 87 N 0.13 1.52 0.60 2.90 0.52 -0.32 -1.47 118.95 122.83 2ber s ARG 87 Ca 0.14 -2.05 0.31 0.00 -0.52 0.00 0.00 55.73 53.61 2ber s ARG 87 Cb -0.12 -2.93 1.82 0.00 0.52 0.00 0.00 34.95 34.24 2ber s ARG 87 CO 0.02 -1.04 2.20 -1.35 0.02 0.00 0.00 175.30 175.15 2ber h PRO 88 N 7.13 0.00 0.00 3.54 0.11 -1.85 -2.58 132.00 138.35 2ber h PRO 88 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2ber h PRO 88 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2ber h PRO 88 CO 0.57 0.00 -0.05 0.25 -0.21 0.00 0.00 178.00 178.56 2ber n THR 89 N -3.70 1.17 -2.04 -1.15 -2.24 -1.26 -4.75 114.28 100.31 2ber n THR 89 Ca -0.01 -1.33 -0.17 0.00 -2.27 0.00 0.00 64.05 60.27 2ber n THR 89 Cb 0.19 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 2ber n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ber n GLY 90 N -0.79 0.36 3.29 3.38 0.00 -0.97 -5.00 105.19 105.47 2ber n GLY 90 Ca 0.06 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 2ber n GLY 90 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ber s ILE 91 N -2.78 1.31 1.14 -0.61 -4.36 -1.26 -5.07 121.20 109.57 2ber s ILE 91 Ca 0.00 -2.10 -0.15 0.00 -0.26 0.00 0.00 60.65 58.15 2ber s ILE 91 Cb 0.00 -1.99 0.26 0.00 1.25 0.00 0.00 42.46 41.98 2ber s ILE 91 CO 0.00 -0.63 1.05 -1.81 0.24 0.00 0.00 174.94 173.79 2ber s ASP 92 N -3.23 1.29 0.18 4.36 1.01 -1.26 -4.53 116.67 114.48 2ber s ASP 92 Ca 0.20 1.16 -0.31 0.00 0.71 0.00 0.00 52.55 54.30 2ber s ASP 92 Cb 0.02 -1.78 -0.16 0.00 1.01 0.00 0.00 42.92 42.01 2ber s ASP 92 CO 0.04 -3.96 0.91 0.00 0.21 0.00 0.00 175.17 172.37 2ber n ALA 93 N -4.72 -1.82 -0.79 5.23 0.00 -1.26 -1.25 120.51 115.91 2ber n ALA 93 Ca 0.06 0.46 -0.20 0.00 0.00 0.00 0.00 53.44 53.76 2ber n ALA 93 Cb 0.57 -1.85 0.09 0.00 0.00 0.00 0.00 19.45 18.26 2ber n ALA 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ber n PRO 94 N 1.28 2.00 -1.67 0.00 -0.04 -1.26 -4.28 135.00 131.02 2ber n PRO 94 Ca 0.16 -2.14 -0.40 0.00 -0.04 0.00 0.00 63.50 61.08 2ber n PRO 94 Cb 0.23 -1.84 0.03 0.00 -0.04 0.00 0.00 33.50 31.88 2ber n PRO 94 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ber n GLY 95 N -0.39 0.22 2.55 0.55 0.00 -0.38 -4.77 105.19 102.97 2ber n GLY 95 Ca 0.42 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 46.28 2ber n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ber n PRO 96 N -0.44 2.16 -2.50 1.61 -0.04 -1.26 -4.40 135.00 130.12 2ber n PRO 96 Ca 0.10 -1.45 -0.32 0.00 -0.04 0.00 0.00 63.50 61.79 2ber n PRO 96 Cb 0.43 -2.43 -0.04 0.00 -0.04 0.00 0.00 33.50 31.42 2ber n PRO 96 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2ber s ASN 97 N 3.22 6.66 0.08 3.54 0.01 -1.26 -4.25 114.94 122.94 2ber s ASN 97 Ca 0.42 1.55 0.05 0.00 -0.71 0.00 0.00 52.86 54.17 2ber s ASN 97 Cb 0.12 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 39.24 2ber s ASN 97 CO -0.03 -0.54 -0.04 -0.44 -1.51 0.00 0.00 177.10 174.54 2ber s SER 98 N -2.95 4.78 -0.24 -1.22 0.01 -0.54 -0.78 113.70 112.76 2ber s SER 98 Ca 0.59 -0.23 -0.19 0.00 1.31 0.00 0.00 55.95 57.43 2ber s SER 98 Cb -0.10 -1.07 -0.03 0.00 0.21 0.00 0.00 66.02 65.03 2ber s SER 98 CO 0.29 0.19 0.55 -0.63 0.41 0.00 0.00 173.24 174.05 2ber s ILE 99 N -1.23 5.05 0.26 1.44 -1.09 -0.57 -0.88 121.20 124.18 2ber s ILE 99 Ca 0.23 0.97 0.09 0.00 -2.23 0.00 0.00 60.65 59.71 2ber s ILE 99 Cb -0.11 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 2ber s ILE 99 CO 0.15 0.09 0.05 -0.76 -1.23 0.00 0.00 174.94 173.24 2ber s LEU 100 N 2.20 3.37 -0.11 2.97 1.43 -0.13 -0.48 118.68 127.94 2ber s LEU 100 Ca 0.23 -0.53 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 2ber s LEU 100 Cb -0.16 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.20 2ber s LEU 100 CO 0.09 -0.01 0.29 -1.58 0.23 0.00 0.00 176.35 175.38 2ber s GLN 101 N -3.69 0.31 0.11 1.70 0.74 0.28 -2.51 119.66 116.59 2ber s GLN 101 Ca 0.32 0.48 0.09 0.00 0.05 0.00 0.00 55.36 56.29 2ber s GLN 101 Cb -0.07 0.08 -0.04 0.00 1.10 0.00 0.00 33.01 34.08 2ber s GLN 101 CO 0.21 -0.08 -0.19 1.03 -0.55 0.00 0.00 175.29 175.71 2ber s ARG 102 N 0.55 1.77 -0.05 1.67 0.52 0.19 -0.93 118.95 122.67 2ber s ARG 102 Ca -0.03 -1.18 0.06 0.00 -0.52 0.00 0.00 55.73 54.05 2ber s ARG 102 Cb -0.05 -2.10 -0.01 0.00 0.52 0.00 0.00 34.95 33.31 2ber s ARG 102 CO -0.03 0.48 -0.24 0.50 0.02 0.00 0.00 175.30 176.03 2ber s ARG 103 N -2.11 2.47 -0.14 3.54 3.52 -1.26 -0.98 118.95 123.99 2ber s ARG 103 Ca 0.18 -0.89 -0.01 0.00 -0.13 0.00 0.00 55.73 54.88 2ber s ARG 103 Cb -0.11 -2.17 -0.02 0.00 -1.56 0.00 0.00 34.95 31.10 2ber s ARG 103 CO 0.10 0.44 -0.12 0.45 -0.81 0.00 0.00 175.30 175.36 2ber s SER 104 N -0.30 4.09 0.00 -2.12 0.15 -0.14 -0.64 113.70 114.75 2ber s SER 104 Ca 0.01 -0.31 0.20 0.00 0.70 0.00 0.00 55.95 56.55 2ber s SER 104 Cb -0.13 -1.63 0.45 0.00 -1.71 0.00 0.00 66.02 63.00 2ber s SER 104 CO 0.02 0.16 1.38 0.35 1.20 0.00 0.00 173.24 176.35 2ber n THR 105 N 3.59 0.70 -2.32 6.45 -2.24 -1.26 -1.54 114.28 117.65 2ber n THR 105 Ca -0.18 -0.85 -0.11 0.00 -2.27 0.00 0.00 64.05 60.64 2ber n THR 105 Cb 0.53 0.78 0.05 0.00 -2.10 0.00 0.00 70.33 69.58 2ber n THR 105 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2ber n ASP 106 N 1.33 3.20 -0.42 3.42 5.68 -1.26 -4.95 116.55 123.54 2ber n ASP 106 Ca 0.19 -3.01 -0.05 0.00 -0.50 0.00 0.00 54.79 51.41 2ber n ASP 106 Cb 0.56 -0.40 -0.02 0.00 -1.14 0.00 0.00 41.12 40.11 2ber n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ber n GLY 107 N -0.63 0.80 0.10 6.12 0.00 -1.26 -3.29 105.19 107.03 2ber n GLY 107 Ca 0.26 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2ber n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ber n GLY 108 N -2.32 0.77 0.19 -0.02 0.00 -1.26 -4.99 105.19 97.56 2ber n GLY 108 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 2ber n GLY 108 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ber h ARG 109 N 4.35 0.63 -4.04 1.61 3.08 -1.96 -3.46 114.38 114.59 2ber h ARG 109 Ca 0.00 -0.56 -0.15 0.00 0.07 0.00 0.00 59.98 59.35 2ber h ARG 109 Cb 0.00 0.13 -0.18 0.00 0.08 0.00 0.00 29.97 30.00 2ber h ARG 109 CO 0.00 1.17 -0.67 0.95 -1.07 0.00 0.00 179.97 180.36 2ber s THR 110 N -3.57 0.15 0.02 2.04 -4.23 -1.26 -5.11 115.64 103.67 2ber s THR 110 Ca -0.12 -1.25 0.04 0.00 -1.18 0.00 0.00 61.69 59.19 2ber s THR 110 Cb 0.06 -0.79 -0.02 0.00 1.34 0.00 0.00 72.50 73.10 2ber s THR 110 CO 0.87 -0.69 -0.13 0.26 -0.54 0.00 0.00 174.62 174.39 2ber s TRP 111 N -2.47 1.15 0.00 3.99 0.52 -1.26 -4.22 118.94 116.66 2ber s TRP 111 Ca -0.07 -0.30 0.00 0.00 0.02 0.00 0.00 56.10 55.76 2ber s TRP 111 Cb -0.03 -0.71 0.00 0.00 -1.15 0.00 0.00 33.47 31.59 2ber s TRP 111 CO -0.05 0.01 0.00 0.41 0.02 0.00 0.00 176.95 177.34 2ber n GLY 112 N 2.24 -0.46 3.76 0.98 0.00 0.19 -4.97 105.19 106.93 2ber n GLY 112 Ca -0.16 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 43.73 2ber n GLY 112 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ber s GLU 113 N -2.39 3.33 -0.14 1.61 -1.05 -1.26 -4.58 118.70 114.22 2ber s GLU 113 Ca 0.00 1.80 -0.29 0.00 -0.15 0.00 0.00 54.97 56.33 2ber s GLU 113 Cb 0.00 -2.13 -0.04 0.00 -0.44 0.00 0.00 34.13 31.52 2ber s GLU 113 CO 0.00 -0.91 1.65 -1.14 0.95 0.00 0.00 175.26 175.81 2ber s GLN 114 N -3.07 3.95 0.23 -4.83 0.74 -1.26 -4.59 119.66 110.83 2ber s GLN 114 Ca 0.71 1.92 0.10 0.00 0.05 0.00 0.00 55.36 58.14 2ber s GLN 114 Cb -0.29 -4.02 -0.04 0.00 1.10 0.00 0.00 33.01 29.75 2ber s GLN 114 CO 0.34 -1.11 -0.06 -0.65 -0.55 0.00 0.00 175.29 173.25 2ber s GLN 115 N 4.43 2.13 -0.34 1.67 -0.21 -0.11 -4.93 119.66 122.30 2ber s GLN 115 Ca 0.73 -1.39 -0.13 0.00 0.02 0.00 0.00 55.36 54.59 2ber s GLN 115 Cb -0.29 -2.12 -0.02 0.00 1.00 0.00 0.00 33.01 31.58 2ber s GLN 115 CO 0.29 0.39 0.24 0.08 -2.12 0.00 0.00 175.29 174.17 2ber s VAL 116 N -2.08 5.27 -0.09 1.09 1.01 -1.26 -0.56 120.40 123.78 2ber s VAL 116 Ca 0.29 -0.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 2ber s VAL 116 Cb -0.07 -3.70 -0.18 0.00 0.00 0.00 0.00 36.38 32.43 2ber s VAL 116 CO 0.17 0.00 0.79 0.58 0.00 0.00 0.00 175.10 176.65 2ber h VAL 117 N 5.49 1.19 -3.31 2.92 2.07 -1.09 -3.46 116.25 120.06 2ber h VAL 117 Ca -0.31 -1.57 -0.46 0.00 0.82 0.00 0.00 66.70 65.18 2ber h VAL 117 Cb 1.16 2.11 -0.36 0.00 -1.52 0.00 0.00 31.29 32.68 2ber h VAL 117 CO 0.63 0.35 -0.78 -0.44 0.02 0.00 0.00 177.57 177.35 2ber s SER 118 N -5.79 1.56 -0.21 0.57 0.01 -1.06 -4.98 113.70 103.80 2ber s SER 118 Ca -0.14 -0.17 -0.16 0.00 1.31 0.00 0.00 55.95 56.78 2ber s SER 118 Cb -0.01 -0.58 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 2ber s SER 118 CO 0.53 -0.11 0.43 0.00 0.41 0.00 0.00 173.24 174.49 2ber s ALA 119 N 1.47 3.56 0.92 1.44 0.00 -1.26 -1.51 121.76 126.38 2ber s ALA 119 Ca -0.02 -0.55 -0.12 0.00 0.00 0.00 0.00 51.96 51.28 2ber s ALA 119 Cb -0.13 -2.70 0.14 0.00 0.00 0.00 0.00 23.12 20.43 2ber s ALA 119 CO -0.04 -0.41 1.09 0.20 0.00 0.00 0.00 175.76 176.61 2ber s GLY 120 N 1.18 1.61 -0.11 0.00 0.00 -1.10 -4.88 107.32 104.02 2ber s GLY 120 Ca 0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 44.72 44.79 2ber s GLY 120 CO 0.09 0.39 -0.08 1.62 0.00 0.00 0.00 173.10 175.11 2ber s GLN 121 N -4.94 1.52 0.13 2.90 0.74 0.32 -4.94 119.66 115.38 2ber s GLN 121 Ca 0.64 -0.26 0.24 0.00 0.05 0.00 0.00 55.36 56.03 2ber s GLN 121 Cb -0.18 -1.55 0.27 0.00 1.10 0.00 0.00 33.01 32.65 2ber s GLN 121 CO 0.57 -0.24 1.26 1.79 -0.55 0.00 0.00 175.29 178.12 2ber h THR 122 N 6.16 0.00 0.00 -0.34 1.35 -1.84 -2.34 112.91 115.90 2ber h THR 122 Ca -0.30 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2ber h THR 122 Cb 1.14 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 2ber h THR 122 CO 0.41 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.03 2ber n THR 123 N -2.17 0.00 -3.53 6.82 -2.24 -1.26 -4.89 114.28 107.00 2ber n THR 123 Ca 0.03 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 2ber n THR 123 Cb 0.45 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.58 2ber n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ber s ALA 124 N -2.41 3.48 0.52 6.98 0.00 -1.26 -1.44 121.76 127.63 2ber s ALA 124 Ca 0.00 -1.44 -0.16 0.00 0.00 0.00 0.00 51.96 50.36 2ber s ALA 124 Cb 0.00 -2.68 -0.08 0.00 0.00 0.00 0.00 23.12 20.37 2ber s ALA 124 CO 0.00 -1.04 0.99 -1.25 0.00 0.00 0.00 175.76 174.45 2ber s PRO 125 N 1.70 3.94 0.13 0.00 0.04 -1.26 -5.10 135.00 134.45 2ber s PRO 125 Ca 0.06 0.95 -0.31 0.00 0.04 0.00 0.00 61.00 61.74 2ber s PRO 125 Cb -0.18 -2.13 -0.08 0.00 0.04 0.00 0.00 34.50 32.15 2ber s PRO 125 CO 0.10 -0.28 1.30 0.42 0.04 0.00 0.00 177.00 178.58 2ber s ILE 126 N -2.64 3.50 0.03 0.56 1.01 -0.52 -4.80 121.20 118.33 2ber s ILE 126 Ca 0.59 1.13 0.02 0.00 0.00 0.00 0.00 60.65 62.38 2ber s ILE 126 Cb -0.10 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 2ber s ILE 126 CO 0.32 0.12 -0.07 -0.54 0.00 0.00 0.00 174.94 174.77 2ber s LYS 127 N 0.67 0.48 0.03 2.79 1.02 -0.88 -4.47 119.74 119.37 2ber s LYS 127 Ca 0.60 -0.58 0.01 0.00 0.02 0.00 0.00 55.97 56.02 2ber s LYS 127 Cb -0.34 -0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 36.65 2ber s LYS 127 CO 0.32 0.06 -0.05 0.20 -0.92 0.00 0.00 175.35 174.97 2ber s GLY 128 N -1.14 0.34 -0.08 -3.33 0.00 -0.44 -0.52 107.32 102.14 2ber s GLY 128 Ca -0.07 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.05 2ber s GLY 128 CO 0.00 -0.66 -0.06 -1.36 0.00 0.00 0.00 173.10 171.02 2ber s PHE 129 N -1.26 1.14 -0.02 1.90 0.08 0.04 -0.82 117.98 119.04 2ber s PHE 129 Ca -0.12 -0.46 -0.18 0.00 0.12 0.00 0.00 56.93 56.29 2ber s PHE 129 Cb -0.09 -0.98 0.03 0.00 -0.57 0.00 0.00 43.02 41.41 2ber s PHE 129 CO -0.00 -0.36 0.38 0.45 -0.10 0.00 0.00 175.22 175.59 2ber s SER 130 N 1.39 -0.29 -0.28 1.36 0.15 -1.16 -3.35 113.70 111.53 2ber s SER 130 Ca -0.02 0.22 -0.02 0.00 0.70 0.00 0.00 55.95 56.83 2ber s SER 130 Cb -0.13 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 2ber s SER 130 CO -0.03 -0.48 0.28 0.47 1.20 0.00 0.00 173.24 174.68 2ber n ASP 131 N 1.22 -4.44 -4.79 5.45 9.92 -1.26 -1.31 116.55 121.33 2ber n ASP 131 Ca -0.21 0.03 -0.35 0.00 -0.53 0.00 0.00 54.79 53.73 2ber n ASP 131 Cb 0.56 -2.81 -0.05 0.00 -0.64 0.00 0.00 41.12 38.18 2ber n ASP 131 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2ber s PRO 132 N -2.67 4.14 -0.05 -0.24 0.04 -1.26 -4.27 135.00 130.69 2ber s PRO 132 Ca 0.03 1.38 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 2ber s PRO 132 Cb -0.01 -2.40 0.03 0.00 0.04 0.00 0.00 34.50 32.16 2ber s PRO 132 CO 0.31 -0.14 0.02 0.45 0.04 0.00 0.00 177.00 177.68 2ber s SER 133 N -1.78 1.12 0.40 6.66 0.15 0.10 -1.14 113.70 119.20 2ber s SER 133 Ca 0.60 -0.02 -0.23 0.00 0.70 0.00 0.00 55.95 57.00 2ber s SER 133 Cb -0.18 -0.29 -0.10 0.00 -1.71 0.00 0.00 66.02 63.74 2ber s SER 133 CO 0.22 -0.18 0.96 -0.31 1.20 0.00 0.00 173.24 175.14 2ber s TYR 134 N 1.75 3.41 -0.17 3.44 4.12 -0.85 -0.78 117.35 128.27 2ber s TYR 134 Ca 0.01 1.67 -0.05 0.00 0.02 0.00 0.00 57.07 58.71 2ber s TYR 134 Cb -0.13 -2.91 0.08 0.00 -1.52 0.00 0.00 41.96 37.48 2ber s TYR 134 CO -0.03 -0.11 0.32 -1.17 0.02 0.00 0.00 175.55 174.58 2ber s LEU 135 N -2.79 -0.44 -0.23 -1.29 0.20 -0.55 -0.20 118.68 113.38 2ber s LEU 135 Ca 0.58 0.64 -0.10 0.00 0.69 0.00 0.00 54.13 55.95 2ber s LEU 135 Cb -0.14 0.94 -0.05 0.00 -0.43 0.00 0.00 46.19 46.52 2ber s LEU 135 CO 0.18 -0.25 0.14 -0.69 -0.29 0.00 0.00 176.35 175.44 2ber s VAL 136 N 2.49 5.19 -0.60 1.68 1.01 -1.26 -0.91 120.40 128.00 2ber s VAL 136 Ca 0.02 0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 2ber s VAL 136 Cb -0.13 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 32.89 2ber s VAL 136 CO -0.11 0.37 1.03 -0.62 0.00 0.00 0.00 175.10 175.77 2ber s ASP 137 N 0.97 6.31 0.00 3.32 -1.08 0.24 -4.65 116.67 121.77 2ber s ASP 137 Ca 0.07 -0.40 0.29 0.00 -0.52 0.00 0.00 52.55 51.99 2ber s ASP 137 Cb -0.13 -2.47 1.35 0.00 -1.46 0.00 0.00 42.92 40.21 2ber s ASP 137 CO 0.04 -1.39 1.94 0.54 0.52 0.00 0.00 175.17 176.82 2ber n ARG 138 N 7.93 0.54 0.05 4.34 1.74 -1.26 -0.31 116.66 129.70 2ber n ARG 138 Ca 0.02 -0.11 -0.17 0.00 -0.77 0.00 0.00 57.85 56.82 2ber n ARG 138 Cb 0.48 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.28 2ber n ARG 138 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2ber h GLU 139 N 0.27 0.24 0.00 5.56 5.08 -1.96 -3.39 114.58 120.38 2ber h GLU 139 Ca 0.00 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2ber h GLU 139 Cb 0.33 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2ber h GLU 139 CO 0.00 1.09 -1.84 0.25 -1.00 0.00 0.00 179.01 177.51 2ber n THR 140 N -3.43 0.00 -0.32 1.13 -2.24 -1.20 -5.01 114.28 103.22 2ber n THR 140 Ca -0.17 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 2ber n THR 140 Cb 1.04 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 2ber n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ber n GLY 141 N 1.41 1.00 3.77 3.38 0.00 0.58 -5.05 105.19 110.28 2ber n GLY 141 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 2ber n GLY 141 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ber s THR 142 N -2.81 3.91 -0.07 2.61 2.01 -1.16 -4.73 115.64 115.40 2ber s THR 142 Ca 0.00 1.63 0.05 0.00 0.31 0.00 0.00 61.69 63.68 2ber s THR 142 Cb 0.00 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 2ber s THR 142 CO 0.00 0.17 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.24 2ber s ILE 143 N -1.51 1.92 0.02 1.82 1.01 -0.71 -0.59 121.20 123.17 2ber s ILE 143 Ca 0.51 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 60.23 2ber s ILE 143 Cb -0.23 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 2ber s ILE 143 CO 0.29 0.53 -0.11 -0.36 0.00 0.00 0.00 174.94 175.29 2ber s PHE 144 N 0.05 2.75 -0.24 3.97 0.08 -0.09 -0.36 117.98 124.14 2ber s PHE 144 Ca -0.09 -0.13 -0.01 0.00 0.12 0.00 0.00 56.93 56.83 2ber s PHE 144 Cb -0.15 -1.55 0.07 0.00 -0.57 0.00 0.00 43.02 40.83 2ber s PHE 144 CO 0.05 0.33 0.01 1.21 -0.10 0.00 0.00 175.22 176.71 2ber s ASN 145 N -1.46 3.59 0.20 1.36 3.84 -0.15 -1.48 114.94 120.85 2ber s ASN 145 Ca 0.16 -1.17 -0.22 0.00 0.21 0.00 0.00 52.86 51.84 2ber s ASN 145 Cb -0.11 -0.94 -0.08 0.00 -0.55 0.00 0.00 41.25 39.56 2ber s ASN 145 CO 0.07 -0.29 0.76 -0.36 -2.79 0.00 0.00 177.10 174.48 2ber s PHE 146 N 1.57 3.76 0.13 0.43 0.08 0.04 -1.10 117.98 122.89 2ber s PHE 146 Ca -0.01 1.52 -0.25 0.00 0.12 0.00 0.00 56.93 58.31 2ber s PHE 146 Cb -0.18 -2.70 0.07 0.00 -0.57 0.00 0.00 43.02 39.64 2ber s PHE 146 CO -0.10 0.41 0.81 -3.38 -0.10 0.00 0.00 175.22 172.86 2ber s HIS 147 N -1.37 -0.30 0.56 0.36 -3.43 -0.80 -0.72 115.29 109.59 2ber s HIS 147 Ca 0.40 0.05 -0.17 0.00 -0.80 0.00 0.00 55.06 54.53 2ber s HIS 147 Cb -0.20 0.60 -0.05 0.00 -1.43 0.00 0.00 32.58 31.51 2ber s HIS 147 CO 0.23 -0.82 1.07 0.14 -2.00 0.00 0.00 174.74 173.36 2ber s VAL 148 N -3.46 3.64 -0.29 -5.38 -7.23 -0.43 -1.02 120.40 106.24 2ber s VAL 148 Ca 0.07 0.88 0.03 0.00 -1.81 0.00 0.00 61.98 61.15 2ber s VAL 148 Cb -0.02 -3.36 0.08 0.00 0.56 0.00 0.00 36.38 33.64 2ber s VAL 148 CO -0.04 -0.36 -0.04 -0.47 -0.31 0.00 0.00 175.10 173.87 2ber s TYR 149 N -2.21 3.44 0.08 2.82 5.04 -0.56 -2.98 117.35 122.99 2ber s TYR 149 Ca 0.66 -2.58 0.03 0.00 -2.44 0.00 0.00 57.07 52.74 2ber s TYR 149 Cb -0.18 -2.31 -0.04 0.00 0.35 0.00 0.00 41.96 39.78 2ber s TYR 149 CO 0.31 -0.91 0.10 -1.54 -1.34 0.00 0.00 175.55 172.17 2ber s SER 150 N 1.03 5.64 0.00 4.32 1.04 -0.00 -1.08 113.70 124.65 2ber s SER 150 Ca -0.01 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2ber s SER 150 Cb -0.20 -1.55 0.00 0.00 0.10 0.00 0.00 66.02 64.38 2ber s SER 150 CO -0.06 0.17 0.00 0.00 0.98 0.00 0.00 173.24 174.33 2ber n GLN 151 N 0.42 0.00 0.03 4.02 6.02 -1.26 -1.33 117.38 125.28 2ber n GLN 151 Ca -0.08 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.80 2ber n GLN 151 Cb 0.52 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.64 2ber n GLN 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ber h ARG 152 N 0.00 0.09 -6.56 -1.09 3.08 -1.58 -3.44 114.38 104.88 2ber h ARG 152 Ca 0.00 -0.15 -0.64 0.00 0.07 0.00 0.00 59.98 59.26 2ber h ARG 152 Cb 0.00 0.06 -0.23 0.00 0.08 0.00 0.00 29.97 29.88 2ber h ARG 152 CO 0.00 0.88 -0.86 -0.65 -1.07 0.00 0.00 179.97 178.28 2ber s GLN 153 N -2.64 1.38 0.00 0.04 -1.52 -1.25 -4.84 119.66 110.83 2ber s GLN 153 Ca -0.05 -1.21 0.00 0.00 -1.95 0.00 0.00 55.36 52.16 2ber s GLN 153 Cb 0.08 -1.71 0.00 0.00 -0.22 0.00 0.00 33.01 31.16 2ber s GLN 153 CO 0.83 0.41 0.00 0.41 -0.25 0.00 0.00 175.29 176.70 2ber n GLY 154 N 1.21 1.63 0.12 3.09 0.00 -1.26 -4.43 105.19 105.56 2ber n GLY 154 Ca -0.18 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.79 2ber n GLY 154 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2ber h PHE 155 N 0.00 0.28 -0.37 1.61 3.57 -1.94 -1.52 116.94 118.57 2ber h PHE 155 Ca 0.00 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.35 2ber h PHE 155 Cb 0.00 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 2ber h PHE 155 CO 0.00 0.17 -0.38 0.00 -2.23 0.00 0.00 178.31 175.87 2ber h ALA 156 N 1.11 0.62 0.00 2.41 0.00 -1.95 -3.23 119.26 118.22 2ber h ALA 156 Ca 0.10 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2ber h ALA 156 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2ber h ALA 156 CO -0.04 0.67 -0.51 0.41 0.00 0.00 0.00 179.25 179.78 2ber n GLY 157 N 0.09 -1.36 3.66 0.00 0.00 -1.19 -4.99 105.19 101.40 2ber n GLY 157 Ca -0.02 -0.28 -0.45 0.00 0.00 0.00 0.00 46.02 45.27 2ber n GLY 157 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ber n SER 158 N -1.80 2.51 -4.96 1.61 2.88 -0.58 -4.91 113.62 108.37 2ber n SER 158 Ca 0.05 1.15 -0.22 0.00 -1.33 0.00 0.00 58.87 58.51 2ber n SER 158 Cb 0.39 -1.40 -0.01 0.00 -0.75 0.00 0.00 64.21 62.44 2ber n SER 158 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2ber s ARG 159 N -0.57 3.38 0.61 -1.46 1.81 -0.13 -4.57 118.95 118.02 2ber s ARG 159 Ca 0.67 -0.61 -0.19 0.00 -1.72 0.00 0.00 55.73 53.89 2ber s ARG 159 Cb -0.67 -2.76 -0.02 0.00 -0.45 0.00 0.00 34.95 31.04 2ber s ARG 159 CO 0.51 0.21 1.29 -2.14 -0.68 0.00 0.00 175.30 174.49 2ber s PRO 160 N -4.19 2.76 0.00 3.54 0.02 -1.26 -4.54 135.00 131.33 2ber s PRO 160 Ca 0.39 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.46 2ber s PRO 160 Cb -0.09 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.48 2ber s PRO 160 CO 0.33 -1.43 0.00 0.41 -0.33 0.00 0.00 177.00 175.97 2ber n GLY 161 N 0.79 3.92 0.00 0.52 0.00 -1.26 -4.92 105.19 104.23 2ber n GLY 161 Ca 0.14 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.46 2ber n GLY 161 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ber n THR 162 N -1.59 0.00 -2.17 2.61 -2.24 -1.26 -4.94 114.28 104.68 2ber n THR 162 Ca 0.00 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 2ber n THR 162 Cb 0.00 1.48 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 2ber n THR 162 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ber s ASP 163 N -0.05 6.78 0.62 3.42 -1.08 -1.26 -4.26 116.67 120.85 2ber s ASP 163 Ca 0.00 2.03 0.30 0.00 -0.52 0.00 0.00 52.55 54.35 2ber s ASP 163 Cb 0.00 -2.54 1.59 0.00 -1.46 0.00 0.00 42.92 40.52 2ber s ASP 163 CO 0.00 -0.85 1.96 -0.65 0.52 0.00 0.00 175.17 176.14 2ber h PRO 164 N 8.93 0.00 0.00 4.34 0.11 -1.97 0.26 132.00 143.68 2ber h PRO 164 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2ber h PRO 164 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2ber h PRO 164 CO 0.96 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.68 2ber n ALA 165 N -2.16 2.42 -2.63 -0.75 0.00 -1.26 -4.77 120.51 111.36 2ber n ALA 165 Ca 0.03 -0.10 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 2ber n ALA 165 Cb 0.48 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 2ber n ALA 165 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ber s ASP 166 N -3.60 6.87 0.00 0.00 -1.08 0.08 -4.91 116.67 114.02 2ber s ASP 166 Ca 0.12 0.92 0.31 0.00 -0.52 0.00 0.00 52.55 53.39 2ber s ASP 166 Cb 0.16 -2.54 1.74 0.00 -1.46 0.00 0.00 42.92 40.82 2ber s ASP 166 CO 0.57 -0.94 2.15 -0.81 0.52 0.00 0.00 175.17 176.66 2ber n PRO 167 N 7.02 0.83 0.00 4.34 -0.04 -1.26 -3.54 135.00 142.34 2ber n PRO 167 Ca 0.12 -0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.67 2ber n PRO 167 Cb 0.47 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.76 2ber n PRO 167 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2ber n ASN 168 N -1.05 1.24 -4.84 3.54 3.02 -1.26 -1.61 115.26 114.30 2ber n ASN 168 Ca 0.20 -1.05 -0.36 0.00 -0.03 0.00 0.00 54.58 53.34 2ber n ASN 168 Cb 0.17 0.17 -0.07 0.00 -0.61 0.00 0.00 39.78 39.44 2ber n ASN 168 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ber s VAL 169 N -2.45 5.47 -0.46 2.41 1.01 -1.23 -0.95 120.40 124.19 2ber s VAL 169 Ca 0.25 0.23 -0.27 0.00 0.00 0.00 0.00 61.98 62.18 2ber s VAL 169 Cb 0.19 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 33.17 2ber s VAL 169 CO 0.51 0.57 1.00 -0.22 0.00 0.00 0.00 175.10 176.96 2ber s LEU 170 N -0.63 3.88 0.45 3.92 2.96 -1.26 -4.56 118.68 123.43 2ber s LEU 170 Ca 0.13 0.27 -0.10 0.00 -0.22 0.00 0.00 54.13 54.21 2ber s LEU 170 Cb -0.12 -3.33 -0.06 0.00 0.50 0.00 0.00 46.19 43.19 2ber s LEU 170 CO 0.03 -1.11 0.81 -1.00 -1.32 0.00 0.00 176.35 173.76 2ber s HIS 171 N 3.99 3.50 -0.32 5.38 3.76 -0.24 -4.47 115.29 126.89 2ber s HIS 171 Ca 0.41 1.05 -0.11 0.00 -0.15 0.00 0.00 55.06 56.27 2ber s HIS 171 Cb -0.09 -2.47 -0.01 0.00 1.11 0.00 0.00 32.58 31.12 2ber s HIS 171 CO 0.28 -0.21 0.18 0.00 -0.85 0.00 0.00 174.74 174.14 2ber s ALA 172 N -2.53 3.35 0.24 -1.40 0.00 -1.26 -1.49 121.76 118.66 2ber s ALA 172 Ca 0.51 -1.38 0.08 0.00 0.00 0.00 0.00 51.96 51.18 2ber s ALA 172 Cb -0.10 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 2ber s ALA 172 CO 0.36 -0.91 0.04 -0.80 0.00 0.00 0.00 175.76 174.45 2ber s ASN 173 N 1.65 4.83 -0.07 0.00 -0.87 -0.19 -0.64 114.94 119.64 2ber s ASN 173 Ca 0.05 -0.49 -0.03 0.00 -1.57 0.00 0.00 52.86 50.82 2ber s ASN 173 Cb -0.17 -1.02 0.04 0.00 -0.02 0.00 0.00 41.25 40.08 2ber s ASN 173 CO 0.08 0.02 0.16 0.54 -2.57 0.00 0.00 177.10 175.33 2ber s VAL 174 N -2.11 -0.05 -0.07 1.60 0.11 -0.44 -1.90 120.40 117.54 2ber s VAL 174 Ca 0.31 0.18 -0.11 0.00 -2.93 0.00 0.00 61.98 59.43 2ber s VAL 174 Cb -0.08 -0.27 -0.05 0.00 -1.53 0.00 0.00 36.38 34.46 2ber s VAL 174 CO 0.21 0.07 0.26 0.00 -3.33 0.00 0.00 175.10 172.31 2ber s ALA 175 N 1.22 3.79 -0.04 1.54 0.00 -0.26 -0.89 121.76 127.12 2ber s ALA 175 Ca -0.09 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.48 2ber s ALA 175 Cb -0.11 -2.17 -0.01 0.00 0.00 0.00 0.00 23.12 20.83 2ber s ALA 175 CO -0.06 0.54 -0.22 0.99 0.00 0.00 0.00 175.76 177.01 2ber s THR 176 N -1.01 1.75 -0.04 0.00 2.01 0.16 -0.98 115.64 117.53 2ber s THR 176 Ca 0.19 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.32 2ber s THR 176 Cb -0.14 -1.48 -0.00 0.00 0.01 0.00 0.00 72.50 70.89 2ber s THR 176 CO 0.08 0.49 -0.17 -0.55 -0.69 0.00 0.00 174.62 173.79 2ber s SER 177 N -0.21 2.15 0.00 3.53 0.15 0.51 -0.39 113.70 119.45 2ber s SER 177 Ca 0.00 -0.35 0.13 0.00 0.70 0.00 0.00 55.95 56.43 2ber s SER 177 Cb -0.11 -0.61 0.31 0.00 -1.71 0.00 0.00 66.02 63.89 2ber s SER 177 CO 0.02 0.15 1.22 0.35 1.20 0.00 0.00 173.24 176.18 2ber n THR 178 N 3.16 0.79 -1.98 6.45 -2.24 -1.26 -1.73 114.28 117.46 2ber n THR 178 Ca -0.18 -0.89 -0.02 0.00 -2.27 0.00 0.00 64.05 60.68 2ber n THR 178 Cb 0.53 0.66 0.11 0.00 -2.10 0.00 0.00 70.33 69.54 2ber n THR 178 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2ber n ASP 179 N 0.71 2.34 -0.65 3.42 5.68 -1.26 -4.95 116.55 121.84 2ber n ASP 179 Ca 0.12 -3.34 -0.07 0.00 -0.50 0.00 0.00 54.79 51.01 2ber n ASP 179 Cb 0.43 -0.44 -0.01 0.00 -1.14 0.00 0.00 41.12 39.96 2ber n ASP 179 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ber n GLY 180 N -0.67 0.40 1.41 6.12 0.00 -1.26 -3.27 105.19 107.91 2ber n GLY 180 Ca 0.21 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2ber n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ber n GLY 181 N -1.45 0.70 0.17 -0.02 0.00 -1.26 -4.96 105.19 98.36 2ber n GLY 181 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 2ber n GLY 181 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ber h LEU 182 N 0.00 0.47 -8.32 0.99 3.38 -1.97 -3.47 115.31 106.40 2ber h LEU 182 Ca 0.00 -0.28 -0.20 0.00 0.09 0.00 0.00 57.88 57.49 2ber h LEU 182 Cb 0.00 -0.13 -0.16 0.00 0.09 0.00 0.00 40.66 40.46 2ber h LEU 182 CO 0.00 0.64 -0.70 0.42 0.09 0.00 0.00 178.44 178.89 2ber s THR 183 N -5.10 0.51 0.01 0.22 -4.23 -1.26 -5.12 115.64 100.66 2ber s THR 183 Ca -0.13 -1.71 0.01 0.00 -1.18 0.00 0.00 61.69 58.68 2ber s THR 183 Cb 0.08 -1.39 -0.01 0.00 1.34 0.00 0.00 72.50 72.52 2ber s THR 183 CO 0.75 -0.81 -0.05 0.26 -0.54 0.00 0.00 174.62 174.23 2ber s TRP 184 N -3.24 0.41 0.27 3.99 0.52 -1.26 -4.31 118.94 115.32 2ber s TRP 184 Ca 0.06 -0.19 0.08 0.00 0.02 0.00 0.00 56.10 56.06 2ber s TRP 184 Cb 0.03 -0.26 -0.04 0.00 -1.15 0.00 0.00 33.47 32.05 2ber s TRP 184 CO -0.05 -0.04 0.17 -1.54 0.02 0.00 0.00 176.95 175.52 2ber s SER 185 N -0.52 5.31 -0.00 2.95 1.04 0.48 -4.90 113.70 118.06 2ber s SER 185 Ca -0.02 -0.36 0.07 0.00 0.48 0.00 0.00 55.95 56.11 2ber s SER 185 Cb -0.04 -1.24 -0.02 0.00 0.10 0.00 0.00 66.02 64.83 2ber s SER 185 CO -0.00 -0.08 -0.21 -1.00 0.98 0.00 0.00 173.24 172.93 2ber s HIS 186 N -2.20 1.86 0.03 5.02 3.76 -1.26 -0.67 115.29 121.83 2ber s HIS 186 Ca 0.34 -0.36 0.02 0.00 -0.15 0.00 0.00 55.06 54.91 2ber s HIS 186 Cb -0.07 -1.18 -0.02 0.00 1.11 0.00 0.00 32.58 32.43 2ber s HIS 186 CO 0.24 -0.00 -0.07 1.03 -0.85 0.00 0.00 174.74 175.09 2ber s ARG 187 N -0.66 0.48 -0.22 1.40 0.52 -0.07 -5.01 118.95 115.39 2ber s ARG 187 Ca 0.08 -0.57 -0.08 0.00 -0.52 0.00 0.00 55.73 54.64 2ber s ARG 187 Cb -0.08 -0.31 -0.04 0.00 0.52 0.00 0.00 34.95 35.04 2ber s ARG 187 CO -0.00 0.06 0.08 0.99 0.02 0.00 0.00 175.30 176.46 2ber s THR 188 N -0.98 4.67 -0.57 0.02 2.01 -1.26 -1.33 115.64 118.19 2ber s THR 188 Ca -0.06 -0.06 0.12 0.00 0.31 0.00 0.00 61.69 61.99 2ber s THR 188 Cb -0.07 -3.15 0.34 0.00 0.01 0.00 0.00 72.50 69.62 2ber s THR 188 CO 0.00 0.38 1.27 2.30 -0.69 0.00 0.00 174.62 177.88 2ber n ILE 189 N 4.35 1.41 -0.19 1.82 -5.35 0.19 -4.77 119.36 116.82 2ber n ILE 189 Ca -0.16 -1.31 0.00 0.00 -0.27 0.00 0.00 62.75 61.01 2ber n ILE 189 Cb 0.52 0.25 0.10 0.00 -1.74 0.00 0.00 39.64 38.77 2ber n ILE 189 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2ber h THR 190 N 1.65 0.64 -0.49 7.28 2.02 -1.86 -0.68 112.91 121.46 2ber h THR 190 Ca 0.00 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 2ber h THR 190 Cb 0.92 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 2ber h THR 190 CO 0.06 0.04 0.10 0.00 0.37 0.00 0.00 175.52 176.10 2ber h ALA 191 N 1.47 1.26 0.00 6.16 0.00 -1.86 -2.14 119.26 124.15 2ber h ALA 191 Ca 0.31 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2ber h ALA 191 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2ber h ALA 191 CO -0.40 0.51 -0.37 -0.44 0.00 0.00 0.00 179.25 178.55 2ber h ASP 192 N 0.72 0.00 -0.24 0.00 3.32 -1.46 -3.16 116.42 115.60 2ber h ASP 192 Ca 0.16 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 2ber h ASP 192 Cb 0.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 2ber h ASP 192 CO 0.00 0.37 -0.00 2.30 -1.72 0.00 0.00 179.24 180.19 2ber n ILE 193 N -3.87 2.26 -3.59 0.35 -5.35 -0.81 -4.25 119.36 104.11 2ber n ILE 193 Ca -0.01 -1.93 -0.27 0.00 -0.27 0.00 0.00 62.75 60.27 2ber n ILE 193 Cb 0.43 -0.26 -0.10 0.00 -1.74 0.00 0.00 39.64 37.98 2ber n ILE 193 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2ber n THR 194 N -0.60 1.18 0.72 7.28 -1.04 -0.96 -4.54 114.28 116.32 2ber n THR 194 Ca 0.21 -4.67 0.10 0.00 -2.04 0.00 0.00 64.05 57.65 2ber n THR 194 Cb 0.88 -2.05 0.44 0.00 -1.82 0.00 0.00 70.33 67.77 2ber n THR 194 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2ber n PRO 195 N 1.66 0.02 -3.88 -2.82 -0.04 -1.26 -4.59 135.00 124.09 2ber n PRO 195 Ca 0.25 0.15 -0.26 0.00 -0.04 0.00 0.00 63.50 63.59 2ber n PRO 195 Cb 0.41 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.20 2ber n PRO 195 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2ber s ASP 196 N -2.97 2.08 0.00 3.54 -1.08 -1.26 -5.01 116.67 111.97 2ber s ASP 196 Ca 0.10 -0.26 0.14 0.00 -0.52 0.00 0.00 52.55 52.01 2ber s ASP 196 Cb 0.13 -0.77 0.58 0.00 -1.46 0.00 0.00 42.92 41.41 2ber s ASP 196 CO 0.36 -0.13 1.43 -0.81 0.52 0.00 0.00 175.17 176.54 2ber n PRO 197 N 4.98 0.01 0.13 4.34 -0.05 -1.26 -1.45 135.00 141.69 2ber n PRO 197 Ca -0.12 0.26 0.13 0.00 -0.05 0.00 0.00 63.50 63.72 2ber n PRO 197 Cb 0.50 -1.50 0.46 0.00 -0.05 0.00 0.00 33.50 32.91 2ber n PRO 197 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 175.50 176.23 2ber h GLY 198 N 2.33 0.00 -7.31 0.55 0.00 -1.96 -3.42 103.07 93.26 2ber h GLY 198 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 2ber h GLY 198 CO 0.00 0.00 1.18 -0.98 0.00 0.00 0.00 176.54 176.74 2ber s TRP 199 N -3.24 2.24 -0.94 5.60 0.52 -0.53 -2.51 118.94 120.09 2ber s TRP 199 Ca 0.07 -0.10 0.25 0.00 0.02 0.00 0.00 56.10 56.33 2ber s TRP 199 Cb 0.10 -4.56 0.48 0.00 -1.15 0.00 0.00 33.47 28.34 2ber s TRP 199 CO 0.49 -2.06 1.39 2.89 0.02 0.00 0.00 176.95 179.68 2ber n ARG 200 N 9.22 0.05 -3.58 4.98 1.85 -0.85 -4.68 116.66 123.66 2ber n ARG 200 Ca 0.13 0.01 -0.17 0.00 -1.00 0.00 0.00 57.85 56.83 2ber n ARG 200 Cb 0.50 -1.53 -0.07 0.00 -1.05 0.00 0.00 32.46 30.31 2ber n ARG 200 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2ber s SER 201 N -3.20 -0.54 -0.08 2.89 0.15 -1.25 -3.73 113.70 107.93 2ber s SER 201 Ca 0.10 0.55 -0.30 0.00 0.70 0.00 0.00 55.95 56.99 2ber s SER 201 Cb 0.17 0.48 0.09 0.00 -1.71 0.00 0.00 66.02 65.05 2ber s SER 201 CO 0.70 -0.58 0.79 0.00 1.20 0.00 0.00 173.24 175.36 2ber s ARG 202 N -1.28 0.90 -0.10 5.44 3.03 -1.26 -1.86 118.95 123.82 2ber s ARG 202 Ca -0.11 0.19 -0.09 0.00 2.03 0.00 0.00 55.73 57.75 2ber s ARG 202 Cb -0.01 0.42 0.03 0.00 -1.03 0.00 0.00 34.95 34.36 2ber s ARG 202 CO 0.08 -0.29 0.27 -0.59 -1.13 0.00 0.00 175.30 173.65 2ber s PHE 203 N -1.27 -0.32 0.28 5.89 -0.12 -0.43 -4.83 117.98 117.18 2ber s PHE 203 Ca -0.07 0.76 -0.30 0.00 -0.05 0.00 0.00 56.93 57.27 2ber s PHE 203 Cb -0.00 0.10 -0.11 0.00 -0.63 0.00 0.00 43.02 42.38 2ber s PHE 203 CO 0.06 -0.17 1.52 0.00 -0.05 0.00 0.00 175.22 176.59 2ber s ALA 204 N 0.39 3.68 -0.07 1.99 0.00 -1.26 -1.73 121.76 124.77 2ber s ALA 204 Ca -0.02 1.47 -0.30 0.00 0.00 0.00 0.00 51.96 53.11 2ber s ALA 204 Cb -0.04 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.43 2ber s ALA 204 CO -0.02 -0.89 1.52 0.00 0.00 0.00 0.00 175.76 176.37 2ber s ALA 205 N -0.10 3.63 0.68 0.00 0.00 -0.12 -4.92 121.76 120.92 2ber s ALA 205 Ca 0.61 0.82 -0.16 0.00 0.00 0.00 0.00 51.96 53.22 2ber s ALA 205 Cb -0.45 -3.69 0.01 0.00 0.00 0.00 0.00 23.12 18.99 2ber s ALA 205 CO 0.47 -1.26 1.21 -1.54 0.00 0.00 0.00 175.76 174.65 2ber s SER 206 N 2.74 4.58 0.00 0.00 1.04 -1.26 -4.68 113.70 116.11 2ber s SER 206 Ca 0.67 2.37 0.00 0.00 0.48 0.00 0.00 55.95 59.47 2ber s SER 206 Cb -0.30 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.22 2ber s SER 206 CO 0.25 -2.01 0.00 0.61 0.98 0.00 0.00 173.24 173.08 2ber n GLY 207 N 0.41 0.45 3.02 7.32 0.00 -0.29 -4.93 105.19 111.18 2ber n GLY 207 Ca 0.14 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 2ber n GLY 207 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ber s GLU 208 N 0.00 0.17 0.26 1.61 2.12 -1.26 -2.00 118.70 119.60 2ber s GLU 208 Ca 0.00 0.48 -0.03 0.00 0.36 0.00 0.00 54.97 55.78 2ber s GLU 208 Cb 0.00 -0.13 0.06 0.00 0.26 0.00 0.00 34.13 34.31 2ber s GLU 208 CO 0.00 -0.16 0.35 0.41 -0.54 0.00 0.00 175.26 175.32 2ber n GLY 209 N 4.20 -0.40 3.23 -1.50 0.00 0.72 -4.92 105.19 106.52 2ber n GLY 209 Ca -0.25 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 2ber n GLY 209 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ber s ILE 210 N -1.38 0.72 -0.11 -0.61 -4.36 -0.76 -4.74 121.20 109.95 2ber s ILE 210 Ca 0.21 -1.98 0.03 0.00 -0.26 0.00 0.00 60.65 58.65 2ber s ILE 210 Cb -0.01 -2.00 0.01 0.00 1.25 0.00 0.00 42.46 41.71 2ber s ILE 210 CO 0.14 -0.59 -0.20 -1.58 0.24 0.00 0.00 174.94 172.96 2ber s GLN 211 N -3.88 2.70 0.30 0.37 0.74 -1.26 -1.05 119.66 117.58 2ber s GLN 211 Ca 0.21 -0.75 -0.29 0.00 0.05 0.00 0.00 55.36 54.57 2ber s GLN 211 Cb 0.06 -2.14 -0.10 0.00 1.10 0.00 0.00 33.01 31.93 2ber s GLN 211 CO 0.02 0.06 1.40 -0.51 -0.55 0.00 0.00 175.29 175.71 2ber s LEU 212 N 0.63 4.39 -0.01 3.68 1.43 -0.12 -4.90 118.68 123.77 2ber s LEU 212 Ca -0.13 2.74 0.12 0.00 -1.03 0.00 0.00 54.13 55.84 2ber s LEU 212 Cb -0.16 -3.64 -0.16 0.00 0.03 0.00 0.00 46.19 42.26 2ber s LEU 212 CO 0.03 -0.68 0.40 0.54 0.23 0.00 0.00 176.35 176.88 2ber n ARG 213 N 1.49 1.77 -4.22 1.70 5.12 -1.26 -1.07 116.66 120.19 2ber n ARG 213 Ca 0.03 -0.05 -0.27 0.00 -1.93 0.00 0.00 57.85 55.63 2ber n ARG 213 Cb 0.41 -1.18 -0.08 0.00 -1.16 0.00 0.00 32.46 30.45 2ber n ARG 213 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2ber s TYR 214 N -2.48 2.81 0.00 -1.55 2.02 -1.26 -4.84 117.35 112.05 2ber s TYR 214 Ca 0.00 -0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 2ber s TYR 214 Cb 0.09 -1.37 0.00 0.00 -0.40 0.00 0.00 41.96 40.28 2ber s TYR 214 CO 0.50 0.51 0.00 0.41 -1.57 0.00 0.00 175.55 175.41 2ber n GLY 215 N -0.05 -2.77 0.26 0.71 0.00 -1.26 -3.04 105.19 99.04 2ber n GLY 215 Ca -0.10 -1.86 0.13 0.00 0.00 0.00 0.00 46.02 44.19 2ber n GLY 215 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ber h PRO 216 N 0.00 0.00 -0.66 1.61 0.13 -2.00 -2.79 132.00 128.30 2ber h PRO 216 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2ber h PRO 216 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2ber h PRO 216 CO 0.00 0.11 0.00 0.72 -0.23 0.00 0.00 178.00 178.60 2ber n HIS 217 N -3.60 1.59 -1.64 1.56 8.25 -1.26 -4.99 115.22 115.13 2ber n HIS 217 Ca -0.02 -0.62 -0.54 0.00 -0.26 0.00 0.00 57.72 56.28 2ber n HIS 217 Cb 0.24 -0.28 -0.06 0.00 1.12 0.00 0.00 29.99 31.00 2ber n HIS 217 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ber n ALA 218 N 1.09 -0.61 0.00 -1.41 0.00 -1.05 -1.27 120.51 117.27 2ber n ALA 218 Ca 0.26 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.16 2ber n ALA 218 Cb 0.94 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2ber n ALA 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ber n GLY 219 N 3.25 1.68 3.74 0.00 0.00 -0.23 -5.00 105.19 108.64 2ber n GLY 219 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2ber n GLY 219 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ber s ARG 220 N -0.42 4.22 -0.17 1.61 3.52 -0.39 -4.72 118.95 122.60 2ber s ARG 220 Ca 0.00 2.40 -0.13 0.00 -0.13 0.00 0.00 55.73 57.87 2ber s ARG 220 Cb 0.00 -3.09 -0.05 0.00 -1.56 0.00 0.00 34.95 30.26 2ber s ARG 220 CO 0.00 -0.51 0.26 -0.51 -0.81 0.00 0.00 175.30 173.73 2ber s LEU 221 N -0.26 4.24 -0.11 -0.88 1.43 -0.39 -0.95 118.68 121.76 2ber s LEU 221 Ca 0.62 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 2ber s LEU 221 Cb -0.44 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.50 2ber s LEU 221 CO 0.43 0.12 -0.10 -0.63 0.23 0.00 0.00 176.35 176.41 2ber s ILE 222 N 0.41 1.19 -0.10 -0.59 1.01 -0.22 -1.16 121.20 121.74 2ber s ILE 222 Ca 0.15 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.40 2ber s ILE 222 Cb -0.13 -1.15 0.01 0.00 0.01 0.00 0.00 42.46 41.20 2ber s ILE 222 CO 0.03 0.39 -0.16 -1.58 0.00 0.00 0.00 174.94 173.62 2ber s GLN 223 N 1.44 2.22 0.29 2.79 2.00 0.32 -1.83 119.66 126.90 2ber s GLN 223 Ca 0.01 -0.58 -0.21 0.00 -2.00 0.00 0.00 55.36 52.59 2ber s GLN 223 Cb -0.13 -1.83 -0.09 0.00 0.80 0.00 0.00 33.01 31.75 2ber s GLN 223 CO -0.06 -0.00 0.80 -0.65 -0.50 0.00 0.00 175.29 174.88 2ber s GLN 224 N 0.80 4.29 0.17 1.67 -1.52 -1.26 -0.51 119.66 123.30 2ber s GLN 224 Ca -0.11 0.97 0.04 0.00 -1.95 0.00 0.00 55.36 54.32 2ber s GLN 224 Cb -0.16 -2.71 -0.05 0.00 -0.22 0.00 0.00 33.01 29.87 2ber s GLN 224 CO 0.01 0.28 -0.07 0.71 -0.25 0.00 0.00 175.29 175.98 2ber s TYR 225 N -1.69 1.36 -0.09 0.91 1.51 -0.07 -0.94 117.35 118.33 2ber s TYR 225 Ca 0.49 -0.81 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 2ber s TYR 225 Cb -0.15 -0.72 -0.02 0.00 -0.11 0.00 0.00 41.96 40.95 2ber s TYR 225 CO 0.20 0.04 -0.11 0.99 -1.11 0.00 0.00 175.55 175.56 2ber s THR 226 N -3.36 3.32 0.25 -0.71 2.01 -0.70 -1.36 115.64 115.08 2ber s THR 226 Ca 0.21 -0.60 0.10 0.00 0.31 0.00 0.00 61.69 61.71 2ber s THR 226 Cb 0.04 -2.37 -0.05 0.00 0.01 0.00 0.00 72.50 70.13 2ber s THR 226 CO 0.03 0.56 -0.18 0.27 -0.69 0.00 0.00 174.62 174.61 2ber s ILE 227 N -0.25 2.20 -0.20 1.82 -4.36 -0.63 -1.32 121.20 118.46 2ber s ILE 227 Ca 0.02 -2.33 -0.01 0.00 -0.26 0.00 0.00 60.65 58.07 2ber s ILE 227 Cb -0.13 -2.20 0.01 0.00 1.25 0.00 0.00 42.46 41.39 2ber s ILE 227 CO 0.03 -0.47 -0.12 -0.63 0.24 0.00 0.00 174.94 173.98 2ber s ILE 228 N -2.67 2.65 0.73 8.37 1.01 -0.78 -1.50 121.20 129.01 2ber s ILE 228 Ca 0.27 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 60.06 2ber s ILE 228 Cb -0.03 -2.19 0.16 0.00 0.01 0.00 0.00 42.46 40.41 2ber s ILE 228 CO 0.12 0.45 0.99 -0.46 0.00 0.00 0.00 174.94 176.04 2ber n ASN 229 N 4.69 0.57 0.23 3.58 0.23 -0.87 -2.01 115.26 121.69 2ber n ASN 229 Ca -0.19 -1.66 0.12 0.00 -0.53 0.00 0.00 54.58 52.31 2ber n ASN 229 Cb 0.50 -0.71 0.51 0.00 -2.08 0.00 0.00 39.78 37.99 2ber n ASN 229 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ber h ALA 230 N -1.26 1.02 0.00 -2.53 0.00 -1.84 -1.00 119.26 113.65 2ber h ALA 230 Ca -0.32 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2ber h ALA 230 Cb 1.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2ber h ALA 230 CO 0.28 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.74 2ber n ALA 231 N -2.20 2.20 -0.52 0.00 0.00 -1.26 -4.91 120.51 113.82 2ber n ALA 231 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2ber n ALA 231 Cb 0.40 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2ber n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ber n GLY 232 N 0.90 0.75 3.82 0.00 0.00 -0.38 -5.05 105.19 105.23 2ber n GLY 232 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2ber n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ber s ALA 233 N -2.51 3.16 -0.15 4.61 0.00 -1.26 -4.80 121.76 120.82 2ber s ALA 233 Ca 0.00 0.33 -0.17 0.00 0.00 0.00 0.00 51.96 52.12 2ber s ALA 233 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 2ber s ALA 233 CO 0.00 0.20 0.45 -0.06 0.00 0.00 0.00 175.76 176.35 2ber s PHE 234 N -1.96 3.46 0.15 0.00 0.40 -1.26 -2.05 117.98 116.71 2ber s PHE 234 Ca 0.56 0.79 0.07 0.00 -0.60 0.00 0.00 56.93 57.75 2ber s PHE 234 Cb -0.12 -2.55 -0.04 0.00 0.51 0.00 0.00 43.02 40.82 2ber s PHE 234 CO 0.17 0.09 -0.15 -0.65 0.70 0.00 0.00 175.22 175.38 2ber s GLN 235 N 0.93 1.15 0.12 0.44 -0.21 -0.56 -1.67 119.66 119.85 2ber s GLN 235 Ca 0.24 -1.35 -0.08 0.00 0.02 0.00 0.00 55.36 54.18 2ber s GLN 235 Cb -0.15 -1.06 -0.06 0.00 1.00 0.00 0.00 33.01 32.74 2ber s GLN 235 CO 0.09 0.20 0.41 0.00 -2.12 0.00 0.00 175.29 173.87 2ber s ALA 236 N -2.28 3.73 -0.07 6.09 0.00 -0.50 -1.60 121.76 127.12 2ber s ALA 236 Ca 0.13 -0.43 -0.12 0.00 0.00 0.00 0.00 51.96 51.55 2ber s ALA 236 Cb -0.04 -2.24 0.02 0.00 0.00 0.00 0.00 23.12 20.86 2ber s ALA 236 CO 0.05 0.59 0.29 0.54 0.00 0.00 0.00 175.76 177.23 2ber s VAL 237 N -1.54 0.03 -0.07 0.00 0.11 -0.46 -0.77 120.40 117.69 2ber s VAL 237 Ca 0.38 -0.22 -0.22 0.00 -2.93 0.00 0.00 61.98 58.99 2ber s VAL 237 Cb -0.13 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 2ber s VAL 237 CO 0.21 -0.12 0.63 -0.44 -3.33 0.00 0.00 175.10 172.05 2ber s SER 238 N -0.48 6.92 -0.15 3.54 0.01 -1.26 -0.89 113.70 121.39 2ber s SER 238 Ca -0.06 1.10 -0.04 0.00 1.31 0.00 0.00 55.95 58.25 2ber s SER 238 Cb -0.04 -2.37 -0.03 0.00 0.21 0.00 0.00 66.02 63.79 2ber s SER 238 CO 0.02 -0.05 0.00 -0.69 0.41 0.00 0.00 173.24 172.93 2ber s VAL 239 N 0.58 4.25 0.06 3.43 1.01 0.33 -1.12 120.40 128.96 2ber s VAL 239 Ca 0.34 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.02 2ber s VAL 239 Cb -0.17 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 2ber s VAL 239 CO 0.16 0.51 0.12 -0.72 0.00 0.00 0.00 175.10 175.17 2ber s TYR 240 N 0.09 0.24 -0.05 5.22 -0.85 0.04 -0.52 117.35 121.52 2ber s TYR 240 Ca 0.02 -0.66 0.02 0.00 -0.52 0.00 0.00 57.07 55.93 2ber s TYR 240 Cb -0.13 -0.15 0.01 0.00 0.38 0.00 0.00 41.96 42.07 2ber s TYR 240 CO 0.02 -0.46 -0.09 0.45 -1.52 0.00 0.00 175.55 173.95 2ber s SER 241 N -2.66 1.38 0.00 -0.18 0.15 -0.31 -1.70 113.70 110.39 2ber s SER 241 Ca 0.03 -0.22 0.20 0.00 0.70 0.00 0.00 55.95 56.66 2ber s SER 241 Cb 0.04 -0.58 0.46 0.00 -1.71 0.00 0.00 66.02 64.23 2ber s SER 241 CO -0.09 0.02 1.39 0.47 1.20 0.00 0.00 173.24 176.23 2ber n ASP 242 N 3.74 3.47 -1.82 5.45 8.00 -1.26 -1.26 116.55 132.87 2ber n ASP 242 Ca -0.23 -1.96 -0.04 0.00 0.71 0.00 0.00 54.79 53.27 2ber n ASP 242 Cb 0.52 -0.32 0.07 0.00 -0.02 0.00 0.00 41.12 41.37 2ber n ASP 242 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2ber n ASP 243 N 1.33 2.35 -2.35 -2.24 5.68 -1.26 -4.94 116.55 115.11 2ber n ASP 243 Ca 0.19 -2.88 -0.18 0.00 -0.50 0.00 0.00 54.79 51.42 2ber n ASP 243 Cb 0.56 -0.41 0.02 0.00 -1.14 0.00 0.00 41.12 40.15 2ber n ASP 243 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2ber n HIS 244 N -0.48 -1.38 -0.40 2.11 8.25 -1.26 -2.43 115.22 119.63 2ber n HIS 244 Ca 0.19 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 2ber n HIS 244 Cb 0.90 -3.77 0.00 0.00 1.12 0.00 0.00 29.99 28.25 2ber n HIS 244 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ber n GLY 245 N -1.28 0.73 0.19 -1.41 0.00 -1.26 -4.95 105.19 97.20 2ber n GLY 245 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 2ber n GLY 245 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ber h ARG 246 N 3.83 0.58 -5.30 1.61 2.43 -1.90 -3.44 114.38 112.18 2ber h ARG 246 Ca 0.00 -0.25 -0.42 0.00 -0.81 0.00 0.00 59.98 58.50 2ber h ARG 246 Cb 0.00 -0.02 -0.22 0.00 -0.42 0.00 0.00 29.97 29.31 2ber h ARG 246 CO 0.00 0.82 -0.78 0.95 -1.51 0.00 0.00 179.97 179.45 2ber s THR 247 N -4.60 1.09 0.06 0.20 -4.23 -1.26 -5.11 115.64 101.78 2ber s THR 247 Ca -0.13 -1.21 0.08 0.00 -1.18 0.00 0.00 61.69 59.25 2ber s THR 247 Cb 0.08 -1.03 -0.03 0.00 1.34 0.00 0.00 72.50 72.86 2ber s THR 247 CO 0.79 -0.16 -0.22 0.26 -0.54 0.00 0.00 174.62 174.75 2ber s TRP 248 N -1.15 1.89 0.05 3.99 0.52 -1.26 -4.42 118.94 118.56 2ber s TRP 248 Ca -0.01 -0.39 -0.03 0.00 0.02 0.00 0.00 56.10 55.69 2ber s TRP 248 Cb -0.09 -1.10 -0.03 0.00 -1.15 0.00 0.00 33.47 31.09 2ber s TRP 248 CO 0.02 0.13 0.02 -0.98 0.02 0.00 0.00 176.95 176.16 2ber s ARG 249 N -1.36 0.62 0.08 4.98 1.70 -0.69 -4.51 118.95 119.77 2ber s ARG 249 Ca 0.08 -1.07 -0.15 0.00 -0.47 0.00 0.00 55.73 54.12 2ber s ARG 249 Cb -0.09 0.23 -0.06 0.00 -0.57 0.00 0.00 34.95 34.45 2ber s ARG 249 CO 0.02 -0.13 0.50 0.00 -1.08 0.00 0.00 175.30 174.61 2ber s ALA 250 N -3.55 3.63 0.64 7.88 0.00 -1.26 -0.78 121.76 128.32 2ber s ALA 250 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2ber s ALA 250 Cb 0.05 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.69 2ber s ALA 250 CO -0.09 0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.54 2ber n GLY 251 N 1.33 0.98 3.75 0.00 0.00 -0.27 -4.98 105.19 106.00 2ber n GLY 251 Ca -0.09 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 2ber n GLY 251 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ber s GLU 252 N 1.34 4.36 0.54 1.61 2.12 -0.15 -4.88 118.70 123.65 2ber s GLU 252 Ca 0.00 0.78 -0.20 0.00 0.36 0.00 0.00 54.97 55.92 2ber s GLU 252 Cb 0.00 -3.37 -0.06 0.00 0.26 0.00 0.00 34.13 30.97 2ber s GLU 252 CO 0.00 0.30 1.14 0.00 -0.54 0.00 0.00 175.26 176.16 2ber s ALA 253 N 0.01 2.70 -0.00 6.30 0.00 -1.26 -4.66 121.76 124.85 2ber s ALA 253 Ca 0.33 0.86 0.03 0.00 0.00 0.00 0.00 51.96 53.17 2ber s ALA 253 Cb -0.18 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 2ber s ALA 253 CO 0.18 -0.80 -0.09 0.54 0.00 0.00 0.00 175.76 175.58 2ber s VAL 254 N -1.73 0.75 0.00 0.00 0.11 0.05 -4.92 120.40 114.65 2ber s VAL 254 Ca 0.72 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 2ber s VAL 254 Cb -0.25 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 33.97 2ber s VAL 254 CO 0.28 0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.85 2ber n GLY 255 N 2.79 -2.61 3.22 6.54 0.00 -1.26 -1.41 105.19 112.45 2ber n GLY 255 Ca -0.14 -1.64 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 2ber n GLY 255 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ber s VAL 256 N -0.96 0.55 -1.63 1.61 -7.23 -1.26 -4.58 120.40 106.90 2ber s VAL 256 Ca 0.00 -1.96 -0.00 0.00 -1.81 0.00 0.00 61.98 58.21 2ber s VAL 256 Cb 0.00 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.86 2ber s VAL 256 CO 0.00 -0.49 0.00 0.61 -0.31 0.00 0.00 175.10 174.91 2ber n GLY 257 N -0.20 -0.50 3.98 2.32 0.00 -1.14 -4.96 105.19 104.68 2ber n GLY 257 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 2ber n GLY 257 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ber s MET 258 N -5.05 1.28 0.00 1.61 1.00 -0.67 -0.64 119.30 116.83 2ber s MET 258 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 55.69 54.76 2ber s MET 258 Cb -0.00 -2.17 0.00 0.00 0.00 0.00 0.00 34.83 32.66 2ber s MET 258 CO 0.00 -1.80 0.00 -3.47 0.00 0.00 0.00 175.02 169.75 2ber n ASP 259 N -3.15 0.00 -4.59 3.03 -0.08 -1.11 -3.81 116.55 106.85 2ber n ASP 259 Ca 0.16 0.00 -0.52 0.00 -1.51 0.00 0.00 54.79 52.91 2ber n ASP 259 Cb 0.60 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.00 2ber n ASP 259 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2ber n GLU 260 N 0.00 1.12 -3.83 -0.67 1.02 -1.26 -4.51 120.64 112.51 2ber n GLU 260 Ca 0.00 0.40 -0.10 0.00 -0.02 0.00 0.00 57.16 57.44 2ber n GLU 260 Cb 0.00 -2.04 -0.08 0.00 -0.02 0.00 0.00 31.44 29.30 2ber n GLU 260 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ber s ASN 261 N 0.46 0.02 0.08 1.62 4.22 -1.26 -0.75 114.94 119.34 2ber s ASN 261 Ca 0.84 -0.41 0.03 0.00 -2.14 0.00 0.00 52.86 51.18 2ber s ASN 261 Cb -0.96 0.32 -0.04 0.00 1.28 0.00 0.00 41.25 41.85 2ber s ASN 261 CO 0.47 -0.61 -0.08 -0.54 -2.04 0.00 0.00 177.10 174.30 2ber s LYS 262 N -2.90 0.76 0.17 3.55 -0.14 0.63 -4.70 119.74 117.11 2ber s LYS 262 Ca -0.02 -1.13 0.07 0.00 -1.36 0.00 0.00 55.97 53.52 2ber s LYS 262 Cb 0.00 -0.34 -0.04 0.00 -1.68 0.00 0.00 37.83 35.77 2ber s LYS 262 CO -0.06 0.03 -0.15 0.95 -0.76 0.00 0.00 175.35 175.37 2ber s THR 263 N -2.67 1.58 -0.17 2.17 -4.23 -1.26 -0.27 115.64 110.79 2ber s THR 263 Ca 0.04 -2.01 -0.18 0.00 -1.18 0.00 0.00 61.69 58.36 2ber s THR 263 Cb -0.01 -1.85 0.05 0.00 1.34 0.00 0.00 72.50 72.03 2ber s THR 263 CO -0.02 -0.51 0.51 0.54 -0.54 0.00 0.00 174.62 174.60 2ber s VAL 264 N -2.61 0.00 -0.22 2.29 0.11 -0.70 -4.83 120.40 114.44 2ber s VAL 264 Ca 0.17 -0.03 -0.22 0.00 -2.93 0.00 0.00 61.98 58.97 2ber s VAL 264 Cb -0.02 -0.73 -0.02 0.00 -1.53 0.00 0.00 36.38 34.08 2ber s VAL 264 CO 0.05 -0.02 0.69 -0.70 -3.33 0.00 0.00 175.10 171.79 2ber s GLU 265 N 0.08 4.18 0.81 1.54 2.12 -1.26 -0.90 118.70 125.27 2ber s GLU 265 Ca -0.02 0.70 -0.10 0.00 0.36 0.00 0.00 54.97 55.92 2ber s GLU 265 Cb -0.03 -3.61 0.12 0.00 0.26 0.00 0.00 34.13 30.86 2ber s GLU 265 CO 0.01 -0.36 1.14 -0.51 -0.54 0.00 0.00 175.26 175.00 2ber s LEU 266 N 2.32 2.76 0.63 2.70 1.43 0.38 -4.90 118.68 124.01 2ber s LEU 266 Ca 0.30 0.30 0.38 0.00 -1.03 0.00 0.00 54.13 54.08 2ber s LEU 266 Cb -0.16 -2.66 2.15 0.00 0.03 0.00 0.00 46.19 45.55 2ber s LEU 266 CO 0.09 -2.08 2.31 0.77 0.23 0.00 0.00 176.35 177.68 2ber h SER 267 N -1.01 0.00 -0.45 2.29 4.64 -1.87 -1.12 113.55 116.03 2ber h SER 267 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2ber h SER 267 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2ber h SER 267 CO 0.50 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.56 2ber n ASP 268 N -3.42 3.27 0.00 4.97 5.75 -1.26 -0.43 116.55 125.43 2ber n ASP 268 Ca -0.03 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 2ber n ASP 268 Cb 0.09 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 2ber n ASP 268 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ber n GLY 269 N 1.07 1.82 3.72 6.12 0.00 -0.42 -5.04 105.19 112.46 2ber n GLY 269 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2ber n GLY 269 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ber s ARG 270 N -0.12 1.73 -0.21 1.61 0.52 -1.26 -4.72 118.95 116.49 2ber s ARG 270 Ca 0.00 1.50 -0.03 0.00 -0.52 0.00 0.00 55.73 56.67 2ber s ARG 270 Cb 0.00 -1.81 -0.01 0.00 0.52 0.00 0.00 34.95 33.65 2ber s ARG 270 CO 0.00 -2.09 -0.05 0.08 0.02 0.00 0.00 175.30 173.25 2ber s VAL 271 N -2.53 3.29 -0.07 3.52 1.01 -0.47 -0.47 120.40 124.68 2ber s VAL 271 Ca 0.67 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.97 2ber s VAL 271 Cb -0.23 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 2ber s VAL 271 CO 0.53 0.43 0.42 -0.22 0.00 0.00 0.00 175.10 176.26 2ber s LEU 272 N 1.42 4.36 -0.12 3.92 2.96 -0.08 -0.80 118.68 130.34 2ber s LEU 272 Ca 0.05 0.83 -0.02 0.00 -0.22 0.00 0.00 54.13 54.77 2ber s LEU 272 Cb -0.14 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 2ber s LEU 272 CO -0.04 0.16 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.87 2ber s LEU 273 N -0.13 3.17 -0.10 -0.68 0.20 0.49 -1.73 118.68 119.90 2ber s LEU 273 Ca 0.23 -0.11 -0.01 0.00 0.69 0.00 0.00 54.13 54.93 2ber s LEU 273 Cb -0.15 -1.73 0.03 0.00 -0.43 0.00 0.00 46.19 43.91 2ber s LEU 273 CO 0.10 0.24 -0.01 0.21 -0.29 0.00 0.00 176.35 176.60 2ber s ASN 274 N -0.05 1.99 0.01 3.68 3.84 0.62 -1.62 114.94 123.40 2ber s ASN 274 Ca 0.01 -0.28 0.05 0.00 0.21 0.00 0.00 52.86 52.85 2ber s ASN 274 Cb -0.13 -0.58 -0.02 0.00 -0.55 0.00 0.00 41.25 39.97 2ber s ASN 274 CO 0.03 -0.20 -0.17 -0.55 -2.79 0.00 0.00 177.10 173.43 2ber s SER 275 N 1.88 1.97 0.48 -4.21 0.15 0.31 -0.27 113.70 114.01 2ber s SER 275 Ca 0.04 -0.36 -0.24 0.00 0.70 0.00 0.00 55.95 56.09 2ber s SER 275 Cb -0.13 -0.19 -0.07 0.00 -1.71 0.00 0.00 66.02 63.91 2ber s SER 275 CO -0.06 0.17 1.36 -1.14 1.20 0.00 0.00 173.24 174.76 2ber n ARG 276 N 2.41 1.95 -3.57 5.44 0.63 0.07 -0.43 116.66 123.16 2ber n ARG 276 Ca -0.16 0.70 -0.41 0.00 -0.92 0.00 0.00 57.85 57.07 2ber n ARG 276 Cb 0.54 -2.55 -0.09 0.00 0.45 0.00 0.00 32.46 30.81 2ber n ARG 276 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2ber s ASP 277 N -0.66 5.67 0.28 6.15 2.15 -1.26 -2.74 116.67 126.27 2ber s ASP 277 Ca 0.65 -1.84 0.24 0.00 0.43 0.00 0.00 52.55 52.03 2ber s ASP 277 Cb -0.45 -2.00 1.04 0.00 -0.30 0.00 0.00 42.92 41.22 2ber s ASP 277 CO 0.54 -0.66 1.71 -1.54 -0.17 0.00 0.00 175.17 175.06 2ber n SER 278 N 4.90 0.67 -0.11 -0.34 3.41 0.18 -1.16 113.62 121.17 2ber n SER 278 Ca -0.08 0.69 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 2ber n SER 278 Cb 0.41 -0.83 0.64 0.00 -0.26 0.00 0.00 64.21 64.18 2ber n SER 278 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ber n ALA 279 N -1.79 2.62 -3.51 7.33 0.00 -1.24 -4.98 120.51 118.95 2ber n ALA 279 Ca 0.01 -0.22 -0.19 0.00 0.00 0.00 0.00 53.44 53.04 2ber n ALA 279 Cb 0.19 -1.33 0.08 0.00 0.00 0.00 0.00 19.45 18.39 2ber n ALA 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ber n ARG 280 N -0.63 -6.55 0.22 0.00 1.74 -0.31 -4.92 116.66 106.21 2ber n ARG 280 Ca 0.18 0.81 0.08 0.00 -0.77 0.00 0.00 57.85 58.14 2ber n ARG 280 Cb 0.13 -5.76 0.52 0.00 -1.02 0.00 0.00 32.46 26.33 2ber n ARG 280 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2ber h SER 281 N -2.02 0.00 0.00 0.55 4.64 -1.93 -3.47 113.55 111.32 2ber h SER 281 Ca -0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2ber h SER 281 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2ber h SER 281 CO 0.52 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 2ber n GLY 282 N -0.37 0.83 3.21 -0.77 0.00 -1.26 -5.06 105.19 101.76 2ber n GLY 282 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2ber n GLY 282 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ber s TYR 283 N -2.05 1.10 0.38 1.61 2.02 -1.25 -0.84 117.35 118.31 2ber s TYR 283 Ca 0.00 -1.18 -0.20 0.00 -0.37 0.00 0.00 57.07 55.32 2ber s TYR 283 Cb 0.00 -0.61 -0.10 0.00 -0.40 0.00 0.00 41.96 40.85 2ber s TYR 283 CO 0.00 -0.42 0.88 1.03 -1.57 0.00 0.00 175.55 175.47 2ber s ARG 284 N -4.02 4.21 0.03 -0.62 1.81 -0.60 -4.38 118.95 115.38 2ber s ARG 284 Ca 0.28 1.01 -0.04 0.00 -1.72 0.00 0.00 55.73 55.26 2ber s ARG 284 Cb 0.07 -2.36 -0.05 0.00 -0.45 0.00 0.00 34.95 32.17 2ber s ARG 284 CO 0.05 0.08 0.25 0.15 -0.68 0.00 0.00 175.30 175.15 2ber s LYS 285 N -2.93 3.53 0.07 3.54 1.02 0.42 -1.42 119.74 123.96 2ber s LYS 285 Ca 0.58 -0.20 0.02 0.00 0.02 0.00 0.00 55.97 56.39 2ber s LYS 285 Cb -0.11 -3.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.13 2ber s LYS 285 CO 0.16 0.62 -0.08 0.14 -0.92 0.00 0.00 175.35 175.27 2ber s VAL 286 N -1.39 0.65 0.11 3.17 -7.23 0.93 -0.53 120.40 116.11 2ber s VAL 286 Ca 0.31 -1.41 -0.22 0.00 -1.81 0.00 0.00 61.98 58.85 2ber s VAL 286 Cb -0.13 -1.03 0.06 0.00 0.56 0.00 0.00 36.38 35.84 2ber s VAL 286 CO 0.20 -0.54 0.56 0.00 -0.31 0.00 0.00 175.10 175.00 2ber s ALA 287 N -2.17 -1.45 0.04 1.32 0.00 -0.64 -0.85 121.76 118.01 2ber s ALA 287 Ca -0.01 0.49 0.05 0.00 0.00 0.00 0.00 51.96 52.49 2ber s ALA 287 Cb -0.05 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 2ber s ALA 287 CO -0.01 -0.66 -0.15 0.54 0.00 0.00 0.00 175.76 175.48 2ber s VAL 288 N -3.27 1.23 -0.05 0.00 0.11 -1.26 -0.38 120.40 116.78 2ber s VAL 288 Ca -0.01 -1.01 0.05 0.00 -2.93 0.00 0.00 61.98 58.07 2ber s VAL 288 Cb -0.00 -1.09 -0.02 0.00 -1.53 0.00 0.00 36.38 33.73 2ber s VAL 288 CO -0.08 0.07 -0.19 -0.55 -3.33 0.00 0.00 175.10 171.01 2ber s SER 289 N -1.09 3.64 0.00 3.54 0.15 0.02 -0.54 113.70 119.41 2ber s SER 289 Ca 0.03 -0.32 0.17 0.00 0.70 0.00 0.00 55.95 56.53 2ber s SER 289 Cb -0.08 -0.75 0.26 0.00 -1.71 0.00 0.00 66.02 63.73 2ber s SER 289 CO 0.01 0.31 1.17 0.35 1.20 0.00 0.00 173.24 176.28 2ber n THR 290 N 2.50 0.36 -2.01 6.45 -2.24 -1.26 -1.37 114.28 116.71 2ber n THR 290 Ca -0.17 -0.68 -0.15 0.00 -2.27 0.00 0.00 64.05 60.78 2ber n THR 290 Cb 0.52 1.05 0.06 0.00 -2.10 0.00 0.00 70.33 69.86 2ber n THR 290 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2ber n ASP 291 N 1.00 3.92 -0.57 3.42 5.68 -1.26 -4.95 116.55 123.78 2ber n ASP 291 Ca 0.13 -3.61 -0.07 0.00 -0.50 0.00 0.00 54.79 50.74 2ber n ASP 291 Cb 0.46 -0.39 -0.02 0.00 -1.14 0.00 0.00 41.12 40.03 2ber n ASP 291 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ber n GLY 292 N -0.76 0.69 0.49 6.12 0.00 -1.26 -3.22 105.19 107.25 2ber n GLY 292 Ca 0.35 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2ber n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ber n GLY 293 N -1.89 0.62 0.20 -0.02 0.00 -1.26 -4.96 105.19 97.88 2ber n GLY 293 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 2ber n GLY 293 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2ber h HIS 294 N 0.00 0.84 -3.85 1.61 -0.00 -1.92 -3.40 115.15 108.43 2ber h HIS 294 Ca 0.00 -0.31 -0.12 0.00 -0.00 0.00 0.00 60.37 59.94 2ber h HIS 294 Cb 0.00 -0.15 -0.16 0.00 -0.00 0.00 0.00 27.41 27.09 2ber h HIS 294 CO 0.00 1.08 -0.50 -1.54 -0.00 0.00 0.00 177.93 176.97 2ber s SER 295 N -6.69 0.20 0.21 3.26 1.04 -1.26 -0.97 113.70 109.49 2ber s SER 295 Ca -0.12 -0.61 0.10 0.00 0.48 0.00 0.00 55.95 55.79 2ber s SER 295 Cb 0.08 0.25 -0.05 0.00 0.10 0.00 0.00 66.02 66.40 2ber s SER 295 CO 0.84 -0.57 -0.19 -0.31 0.98 0.00 0.00 173.24 173.99 2ber s TYR 296 N -3.07 2.01 0.00 5.02 2.02 -1.26 -4.31 117.35 117.76 2ber s TYR 296 Ca -0.01 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 2ber s TYR 296 Cb 0.01 -0.94 0.00 0.00 -0.40 0.00 0.00 41.96 40.63 2ber s TYR 296 CO -0.07 0.48 0.00 0.41 -1.57 0.00 0.00 175.55 174.80 2ber n GLY 297 N -0.15 -0.62 3.67 0.71 0.00 0.29 -4.96 105.19 104.14 2ber n GLY 297 Ca -0.09 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 2ber n GLY 297 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ber n PRO 298 N -0.31 1.92 -3.30 1.61 -0.02 -1.26 -4.68 135.00 128.97 2ber n PRO 298 Ca 0.00 0.68 -0.38 0.00 -2.02 0.00 0.00 63.50 61.77 2ber n PRO 298 Cb 0.00 -2.22 -0.06 0.00 -0.02 0.00 0.00 33.50 31.21 2ber n PRO 298 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ber s VAL 299 N -1.10 4.97 0.23 -1.45 1.01 -1.26 -4.53 120.40 118.28 2ber s VAL 299 Ca 0.57 1.09 0.06 0.00 0.00 0.00 0.00 61.98 63.70 2ber s VAL 299 Cb -0.59 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 2ber s VAL 299 CO 0.61 0.45 -0.08 0.42 0.00 0.00 0.00 175.10 176.50 2ber s THR 300 N -0.30 1.51 0.15 3.92 -4.23 -0.03 -4.93 115.64 111.73 2ber s THR 300 Ca 0.28 -2.13 -0.19 0.00 -1.18 0.00 0.00 61.69 58.47 2ber s THR 300 Cb -0.17 -2.24 -0.07 0.00 1.34 0.00 0.00 72.50 71.36 2ber s THR 300 CO 0.15 -0.45 0.65 -0.63 -0.54 0.00 0.00 174.62 173.80 2ber s ILE 301 N -3.11 4.65 -0.48 2.99 1.09 -1.26 -0.05 121.20 125.03 2ber s ILE 301 Ca 0.26 1.25 -0.12 0.00 -1.10 0.00 0.00 60.65 60.94 2ber s ILE 301 Cb 0.02 -3.90 0.11 0.00 -1.06 0.00 0.00 42.46 37.64 2ber s ILE 301 CO 0.08 0.39 0.37 -0.62 -0.10 0.00 0.00 174.94 175.06 2ber s ASP 302 N -1.40 5.86 0.24 3.58 -1.08 -0.51 -4.92 116.67 118.45 2ber s ASP 302 Ca 0.36 -1.75 0.21 0.00 -0.52 0.00 0.00 52.55 50.85 2ber s ASP 302 Cb -0.18 -2.08 0.96 0.00 -1.46 0.00 0.00 42.92 40.16 2ber s ASP 302 CO 0.21 -0.70 1.63 0.54 0.52 0.00 0.00 175.17 177.36 2ber n ARG 303 N 5.03 0.15 0.00 4.34 5.12 -1.26 -1.69 116.66 128.34 2ber n ARG 303 Ca -0.10 0.49 0.14 0.00 -1.93 0.00 0.00 57.85 56.45 2ber n ARG 303 Cb 0.41 -1.85 0.61 0.00 -1.16 0.00 0.00 32.46 30.47 2ber n ARG 303 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2ber n ASP 304 N -2.14 1.04 -3.61 0.55 8.00 -1.26 -4.46 116.55 114.66 2ber n ASP 304 Ca 0.01 -1.24 -0.27 0.00 0.71 0.00 0.00 54.79 54.00 2ber n ASP 304 Cb 0.14 0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.14 2ber n ASP 304 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2ber n LEU 305 N -0.27 2.74 -4.76 0.64 4.77 -0.68 -5.00 117.00 114.44 2ber n LEU 305 Ca 0.19 -5.18 -0.39 0.00 -0.03 0.00 0.00 56.01 50.60 2ber n LEU 305 Cb 0.30 -0.48 0.03 0.00 -2.33 0.00 0.00 43.42 40.93 2ber n LEU 305 CO 0.19 1.91 1.00 -2.16 -1.33 0.00 0.00 177.39 176.99 2ber s PRO 306 N -1.68 3.34 -0.18 3.23 0.04 -1.26 -1.56 135.00 136.93 2ber s PRO 306 Ca 0.32 2.25 -0.22 0.00 0.04 0.00 0.00 61.00 63.40 2ber s PRO 306 Cb 0.06 -2.38 0.06 0.00 0.04 0.00 0.00 34.50 32.27 2ber s PRO 306 CO -0.11 -1.04 0.58 0.34 0.04 0.00 0.00 177.00 176.81 2ber s ASP 307 N -0.86 -0.59 -0.02 6.66 2.15 -0.02 -4.48 116.67 119.51 2ber s ASP 307 Ca 0.68 1.02 0.12 0.00 0.43 0.00 0.00 52.55 54.80 2ber s ASP 307 Cb -0.41 1.02 0.38 0.00 -0.30 0.00 0.00 42.92 43.62 2ber s ASP 307 CO 0.49 -0.29 1.29 -0.81 -0.17 0.00 0.00 175.17 175.68 2ber n PRO 308 N 2.33 2.19 -1.32 4.34 -0.04 -1.13 -3.76 135.00 137.60 2ber n PRO 308 Ca -0.15 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.76 2ber n PRO 308 Cb 0.56 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 2ber n PRO 308 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2ber n THR 309 N 0.65 -1.71 -3.80 0.52 -1.04 -1.26 -4.92 114.28 102.72 2ber n THR 309 Ca 0.14 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.11 2ber n THR 309 Cb 0.43 -3.49 -0.01 0.00 -1.82 0.00 0.00 70.33 65.45 2ber n THR 309 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2ber s ASN 310 N -0.94 -0.14 0.95 8.00 2.47 -1.26 -5.02 114.94 119.00 2ber s ASN 310 Ca 0.00 -0.56 -0.12 0.00 0.42 0.00 0.00 52.86 52.60 2ber s ASN 310 Cb 0.00 0.57 0.16 0.00 -1.45 0.00 0.00 41.25 40.53 2ber s ASN 310 CO 0.00 -1.08 1.10 0.21 -3.72 0.00 0.00 177.10 173.61 2ber s ASN 311 N -3.03 3.07 0.17 -4.21 3.84 -1.26 -4.60 114.94 108.92 2ber s ASN 311 Ca 0.14 1.23 -0.24 0.00 0.21 0.00 0.00 52.86 54.19 2ber s ASN 311 Cb -0.03 -1.89 0.06 0.00 -0.55 0.00 0.00 41.25 38.84 2ber s ASN 311 CO 0.05 -2.86 0.90 0.00 -2.79 0.00 0.00 177.10 172.40 2ber s ALA 312 N -3.02 -1.57 0.05 1.71 0.00 -1.26 -4.68 121.76 112.99 2ber s ALA 312 Ca 0.64 0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.74 2ber s ALA 312 Cb -0.18 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.60 2ber s ALA 312 CO 0.57 -1.02 -0.12 -1.54 0.00 0.00 0.00 175.76 173.65 2ber s SER 313 N -2.91 1.40 -0.06 0.00 1.04 -0.33 -4.89 113.70 107.96 2ber s SER 313 Ca 0.11 -0.53 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 2ber s SER 313 Cb -0.02 -0.04 0.04 0.00 0.10 0.00 0.00 66.02 66.09 2ber s SER 313 CO 0.02 -0.08 0.12 -0.51 0.98 0.00 0.00 173.24 173.77 2ber s ILE 314 N -1.14 -0.08 0.06 -1.02 2.07 -1.26 -1.00 121.20 118.83 2ber s ILE 314 Ca -0.03 0.23 -0.00 0.00 -1.41 0.00 0.00 60.65 59.43 2ber s ILE 314 Cb -0.09 -0.21 -0.04 0.00 0.13 0.00 0.00 42.46 42.25 2ber s ILE 314 CO 0.01 0.09 -0.04 0.27 -1.91 0.00 0.00 174.94 173.37 2ber s ILE 315 N 1.36 0.32 0.09 2.00 -4.36 0.04 -4.78 121.20 115.87 2ber s ILE 315 Ca -0.07 -1.80 -0.31 0.00 -0.26 0.00 0.00 60.65 58.21 2ber s ILE 315 Cb -0.12 -1.51 -0.07 0.00 1.25 0.00 0.00 42.46 42.01 2ber s ILE 315 CO -0.05 -0.95 1.35 -0.13 0.24 0.00 0.00 174.94 175.39 2ber s ARG 316 N -3.80 4.34 0.27 0.37 1.81 -1.26 -1.14 118.95 119.55 2ber s ARG 316 Ca 0.07 1.99 0.04 0.00 -1.72 0.00 0.00 55.73 56.12 2ber s ARG 316 Cb 0.07 -3.30 0.39 0.00 -0.45 0.00 0.00 34.95 31.66 2ber s ARG 316 CO -0.08 -0.41 1.67 0.00 -0.68 0.00 0.00 175.30 175.80 2ber h ALA 317 N 6.89 1.04 -2.58 2.13 0.00 -1.65 -3.37 119.26 121.72 2ber h ALA 317 Ca -0.42 -0.41 -0.60 0.00 0.00 0.00 0.00 54.91 53.48 2ber h ALA 317 Cb 1.21 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.50 2ber h ALA 317 CO 0.86 0.60 -0.78 1.19 0.00 0.00 0.00 179.25 181.12 2ber n PHE 318 N -4.03 1.43 0.30 0.00 3.72 -1.26 -4.99 117.46 112.62 2ber n PHE 318 Ca -0.01 -3.85 0.18 0.00 -0.05 0.00 0.00 57.45 53.71 2ber n PHE 318 Cb 0.48 -0.27 0.76 0.00 -0.94 0.00 0.00 39.48 39.51 2ber n PHE 318 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2ber h PRO 319 N 5.13 0.00 -0.34 -1.08 0.13 -1.93 -2.16 132.00 131.76 2ber h PRO 319 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2ber h PRO 319 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2ber h PRO 319 CO 0.58 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.10 2ber n ASP 320 N -2.99 3.08 -4.79 1.44 8.00 -1.26 -4.99 116.55 115.04 2ber n ASP 320 Ca 0.00 -1.94 -0.35 0.00 0.71 0.00 0.00 54.79 53.21 2ber n ASP 320 Cb 0.25 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 2ber n ASP 320 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ber s ALA 321 N -1.56 2.97 0.65 2.24 0.00 -0.81 -4.98 121.76 120.27 2ber s ALA 321 Ca 0.37 0.69 -0.14 0.00 0.00 0.00 0.00 51.96 52.88 2ber s ALA 321 Cb 0.22 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 2ber s ALA 321 CO 0.30 -0.31 1.06 -2.14 0.00 0.00 0.00 175.76 174.68 2ber s PRO 322 N -2.85 3.06 0.29 0.00 0.02 -1.26 -4.83 135.00 129.43 2ber s PRO 322 Ca 0.63 1.13 -0.30 0.00 0.02 0.00 0.00 61.00 62.48 2ber s PRO 322 Cb -0.20 -2.00 -0.12 0.00 0.02 0.00 0.00 34.50 32.20 2ber s PRO 322 CO 0.25 -1.01 1.51 0.00 -0.33 0.00 0.00 177.00 177.41 2ber n ALA 323 N -2.56 2.04 0.00 -1.55 0.00 -1.26 -2.04 120.51 115.14 2ber n ALA 323 Ca 0.08 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2ber n ALA 323 Cb 0.53 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.59 2ber n ALA 323 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ber n GLY 324 N 1.85 2.59 3.79 0.00 0.00 0.43 -5.03 105.19 108.83 2ber n GLY 324 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2ber n GLY 324 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ber s SER 325 N -2.30 5.14 0.23 1.61 1.04 -0.86 -4.96 113.70 113.60 2ber s SER 325 Ca 0.00 1.79 -0.07 0.00 0.48 0.00 0.00 55.95 58.15 2ber s SER 325 Cb 0.00 -2.52 0.26 0.00 0.10 0.00 0.00 66.02 63.86 2ber s SER 325 CO 0.00 -1.60 1.86 0.00 0.98 0.00 0.00 173.24 174.47 2ber h ALA 326 N -0.48 1.07 -0.20 5.32 0.00 -1.96 -2.28 119.26 120.73 2ber h ALA 326 Ca -0.45 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2ber h ALA 326 Cb 1.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2ber h ALA 326 CO 0.55 0.28 -0.14 0.00 0.00 0.00 0.00 179.25 179.94 2ber h ARG 327 N 0.95 0.33 0.00 0.00 3.08 -1.93 -1.95 114.38 114.87 2ber h ARG 327 Ca 0.33 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2ber h ARG 327 Cb 0.08 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2ber h ARG 327 CO -0.14 0.48 0.00 0.00 -1.07 0.00 0.00 179.97 179.24 2ber n ALA 328 N -2.48 1.63 1.01 0.04 0.00 -0.86 -2.52 120.51 117.32 2ber n ALA 328 Ca -0.00 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.61 2ber n ALA 328 Cb 0.30 -1.34 0.27 0.00 0.00 0.00 0.00 19.45 18.68 2ber n ALA 328 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ber n LYS 329 N -2.04 0.02 -3.14 0.00 5.02 -0.73 -3.61 118.16 113.68 2ber n LYS 329 Ca 0.02 -0.01 -0.39 0.00 -2.02 0.00 0.00 58.31 55.91 2ber n LYS 329 Cb 0.21 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.66 2ber n LYS 329 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ber s VAL 330 N -2.99 5.08 0.06 -0.18 1.01 -1.05 -1.01 120.40 121.34 2ber s VAL 330 Ca 0.12 1.23 0.08 0.00 0.00 0.00 0.00 61.98 63.41 2ber s VAL 330 Cb 0.18 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2ber s VAL 330 CO 0.69 0.24 -0.21 -0.76 0.00 0.00 0.00 175.10 175.06 2ber s LEU 331 N 1.01 2.21 0.04 3.92 1.43 -0.41 -1.71 118.68 125.17 2ber s LEU 331 Ca 0.32 -0.58 0.07 0.00 -1.03 0.00 0.00 54.13 52.91 2ber s LEU 331 Cb -0.16 -0.98 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 2ber s LEU 331 CO 0.14 0.14 -0.18 -0.76 0.23 0.00 0.00 176.35 175.91 2ber s LEU 332 N -1.44 2.60 -0.00 1.79 1.43 -0.29 -1.53 118.68 121.24 2ber s LEU 332 Ca 0.08 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2ber s LEU 332 Cb -0.09 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 44.62 2ber s LEU 332 CO 0.03 0.26 -0.03 0.12 0.23 0.00 0.00 176.35 176.95 2ber s PHE 333 N -0.92 0.29 -0.05 0.29 5.36 -0.07 -0.78 117.98 122.10 2ber s PHE 333 Ca 0.14 -0.05 0.02 0.00 -0.96 0.00 0.00 56.93 56.08 2ber s PHE 333 Cb -0.10 -0.20 0.02 0.00 -0.34 0.00 0.00 43.02 42.39 2ber s PHE 333 CO 0.05 -0.01 -0.09 -1.54 -1.46 0.00 0.00 175.22 172.17 2ber s SER 334 N 0.01 1.36 0.18 6.13 1.04 -0.17 -0.25 113.70 122.00 2ber s SER 334 Ca 0.00 -0.22 -0.08 0.00 0.48 0.00 0.00 55.95 56.13 2ber s SER 334 Cb -0.02 -0.62 0.03 0.00 0.10 0.00 0.00 66.02 65.51 2ber s SER 334 CO -0.00 0.00 0.44 -0.46 0.98 0.00 0.00 173.24 174.20 2ber n ASN 335 N 3.86 -1.12 -4.64 7.02 6.94 -1.10 -1.18 115.26 125.04 2ber n ASN 335 Ca -0.24 -1.74 -0.41 0.00 -0.02 0.00 0.00 54.58 52.18 2ber n ASN 335 Cb 0.51 1.86 -0.06 0.00 -2.36 0.00 0.00 39.78 39.74 2ber n ASN 335 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ber s ALA 336 N -1.55 3.60 -0.33 -2.53 0.00 -1.26 -1.19 121.76 118.49 2ber s ALA 336 Ca 0.09 -0.37 0.24 0.00 0.00 0.00 0.00 51.96 51.93 2ber s ALA 336 Cb -0.02 -3.04 0.50 0.00 0.00 0.00 0.00 23.12 20.56 2ber s ALA 336 CO 0.05 -0.76 1.67 0.00 0.00 0.00 0.00 175.76 176.72 2ber h ALA 337 N 7.78 0.98 -2.89 0.00 0.00 -1.23 -3.37 119.26 120.53 2ber h ALA 337 Ca -0.27 -0.03 -0.53 0.00 0.00 0.00 0.00 54.91 54.08 2ber h ALA 337 Cb 1.12 -0.00 0.09 0.00 0.00 0.00 0.00 17.79 19.00 2ber h ALA 337 CO 0.78 0.04 0.63 0.45 0.00 0.00 0.00 179.25 181.15 2ber s SER 338 N -6.14 6.25 0.00 0.00 0.15 -1.16 -4.43 113.70 108.36 2ber s SER 338 Ca 0.06 2.70 0.24 0.00 0.70 0.00 0.00 55.95 59.64 2ber s SER 338 Cb 0.06 -2.64 0.26 0.00 -1.71 0.00 0.00 66.02 61.99 2ber s SER 338 CO 0.65 -0.90 1.24 0.00 1.20 0.00 0.00 173.24 175.44 2ber n GLN 339 N 0.08 0.37 -0.00 5.44 6.02 -1.26 -2.86 117.38 125.17 2ber n GLN 339 Ca 0.04 -0.27 0.03 0.00 -0.01 0.00 0.00 57.00 56.79 2ber n GLN 339 Cb 0.43 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.15 2ber n GLN 339 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2ber n THR 340 N -1.08 0.00 -3.97 5.09 -2.24 -1.26 -4.55 114.28 106.27 2ber n THR 340 Ca 0.07 -0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 2ber n THR 340 Cb 0.36 0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 68.99 2ber n THR 340 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2ber s SER 341 N -2.55 -0.02 -1.29 3.42 1.04 -1.26 -5.07 113.70 107.97 2ber s SER 341 Ca -0.02 -0.89 -0.18 0.00 0.48 0.00 0.00 55.95 55.35 2ber s SER 341 Cb 0.04 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.68 2ber s SER 341 CO 0.27 -0.97 1.85 0.54 0.98 0.00 0.00 173.24 175.91 2ber n ARG 342 N -0.27 2.85 -4.03 4.02 1.74 -1.26 -4.45 116.66 115.26 2ber n ARG 342 Ca -0.05 -3.01 -0.11 0.00 -0.77 0.00 0.00 57.85 53.91 2ber n ARG 342 Cb 0.63 -3.48 -0.05 0.00 -1.02 0.00 0.00 32.46 28.54 2ber n ARG 342 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2ber s SER 343 N 4.43 0.17 -1.15 0.55 1.04 -1.25 -0.98 113.70 116.51 2ber s SER 343 Ca 0.55 -1.11 -0.00 0.00 0.48 0.00 0.00 55.95 55.87 2ber s SER 343 Cb 0.05 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 2ber s SER 343 CO 0.06 -1.18 0.96 0.00 0.98 0.00 0.00 173.24 174.06 2ber n GLN 344 N -0.42 -6.04 -1.65 4.02 6.02 -0.91 -3.01 117.38 115.39 2ber n GLN 344 Ca -0.01 0.82 -0.48 0.00 -0.01 0.00 0.00 57.00 57.32 2ber n GLN 344 Cb 0.62 -5.75 -0.05 0.00 1.02 0.00 0.00 30.24 26.09 2ber n GLN 344 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ber n GLY 345 N -1.14 1.00 2.91 1.08 0.00 0.38 -1.49 105.19 107.94 2ber n GLY 345 Ca -0.26 0.69 -0.15 0.00 0.00 0.00 0.00 46.02 46.30 2ber n GLY 345 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ber s THR 346 N 1.19 0.29 -0.12 2.61 2.01 -0.34 -0.43 115.64 120.85 2ber s THR 346 Ca 0.82 -0.12 -0.13 0.00 0.31 0.00 0.00 61.69 62.57 2ber s THR 346 Cb -0.75 -0.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 2ber s THR 346 CO 0.42 0.10 0.29 -0.63 -0.69 0.00 0.00 174.62 174.11 2ber s ILE 347 N 0.12 5.28 0.22 1.82 -1.09 -0.03 -2.70 121.20 124.82 2ber s ILE 347 Ca -0.01 0.55 0.10 0.00 -2.23 0.00 0.00 60.65 59.06 2ber s ILE 347 Cb -0.04 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.19 2ber s ILE 347 CO -0.00 0.47 -0.18 -0.13 -1.23 0.00 0.00 174.94 173.86 2ber s ARG 348 N -0.10 1.47 -0.03 2.79 0.52 0.65 -0.88 118.95 123.37 2ber s ARG 348 Ca 0.18 -1.61 0.01 0.00 -0.52 0.00 0.00 55.73 53.79 2ber s ARG 348 Cb -0.14 -1.47 0.01 0.00 0.52 0.00 0.00 34.95 33.87 2ber s ARG 348 CO 0.06 0.28 -0.04 1.41 0.02 0.00 0.00 175.30 177.02 2ber s MET 349 N -3.33 0.64 -0.09 3.54 -2.45 -0.20 -0.89 119.30 116.53 2ber s MET 349 Ca 0.24 -0.12 -0.02 0.00 -1.25 0.00 0.00 55.69 54.54 2ber s MET 349 Cb -0.04 -0.66 -0.03 0.00 1.25 0.00 0.00 34.83 35.34 2ber s MET 349 CO 0.10 -0.01 -0.01 0.45 1.05 0.00 0.00 175.02 176.60 2ber s SER 350 N 0.55 5.12 0.00 1.11 0.15 -0.58 -2.87 113.70 117.18 2ber s SER 350 Ca -0.07 0.09 0.12 0.00 0.70 0.00 0.00 55.95 56.79 2ber s SER 350 Cb -0.10 -1.46 0.34 0.00 -1.71 0.00 0.00 66.02 63.08 2ber s SER 350 CO -0.00 0.35 1.28 0.00 1.20 0.00 0.00 173.24 176.07 2ber n ASP 352 N 0.64 1.74 -1.93 0.00 5.68 -1.19 -4.60 116.55 116.90 2ber n ASP 352 Ca 0.13 -2.17 -0.17 0.00 -0.50 0.00 0.00 54.79 52.08 2ber n ASP 352 Cb 0.44 -0.48 -0.01 0.00 -1.14 0.00 0.00 41.12 39.94 2ber n ASP 352 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2ber n ASP 353 N -0.56 -5.03 0.00 -1.12 8.00 -0.18 -2.76 116.55 114.90 2ber n ASP 353 Ca 0.09 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2ber n ASP 353 Cb 0.81 -4.12 0.00 0.00 -0.02 0.00 0.00 41.12 37.79 2ber n ASP 353 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ber n GLY 354 N -1.01 0.59 0.14 0.44 0.00 -1.26 -4.96 105.19 99.13 2ber n GLY 354 Ca -0.20 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 2ber n GLY 354 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2ber h GLN 355 N 1.37 0.38 -5.14 1.61 1.08 -1.92 -3.46 115.11 109.03 2ber h GLN 355 Ca 0.00 -0.10 -0.36 0.00 -1.45 0.00 0.00 58.65 56.74 2ber h GLN 355 Cb 0.00 -0.05 -0.14 0.00 -0.05 0.00 0.00 27.48 27.24 2ber h GLN 355 CO 0.00 0.52 -0.70 0.95 -0.95 0.00 0.00 178.83 178.65 2ber s THR 356 N -5.19 1.21 -0.51 -0.54 -4.23 -1.26 -5.10 115.64 100.02 2ber s THR 356 Ca -0.14 -2.07 0.07 0.00 -1.18 0.00 0.00 61.69 58.37 2ber s THR 356 Cb 0.07 -2.02 0.24 0.00 1.34 0.00 0.00 72.50 72.13 2ber s THR 356 CO 0.73 -0.60 0.60 0.79 -0.54 0.00 0.00 174.62 175.60 2ber n TRP 357 N -0.29 1.42 0.23 3.99 7.02 -1.26 -4.26 117.44 124.29 2ber n TRP 357 Ca -0.08 -3.83 0.05 0.00 -1.02 0.00 0.00 57.50 52.62 2ber n TRP 357 Cb 0.62 -0.41 0.51 0.00 -2.42 0.00 0.00 31.31 29.60 2ber n TRP 357 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 2ber h PRO 358 N 4.23 0.00 -5.65 -0.99 0.13 -1.85 -3.44 132.00 124.43 2ber h PRO 358 Ca 0.14 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.60 2ber h PRO 358 Cb 0.79 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.68 2ber h PRO 358 CO 0.62 0.17 -0.73 0.08 -0.23 0.00 0.00 178.00 177.91 2ber s VAL 359 N -4.66 3.35 -0.07 1.56 1.01 -1.14 -1.26 120.40 119.19 2ber s VAL 359 Ca -0.04 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 2ber s VAL 359 Cb 0.16 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 34.17 2ber s VAL 359 CO 0.70 0.54 0.33 -0.94 0.00 0.00 0.00 175.10 175.73 2ber s SER 360 N -0.06 -0.27 -0.10 3.32 1.04 -1.26 -1.03 113.70 115.33 2ber s SER 360 Ca -0.01 0.37 -0.09 0.00 0.48 0.00 0.00 55.95 56.69 2ber s SER 360 Cb -0.14 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.50 2ber s SER 360 CO 0.03 -0.31 0.27 -0.75 0.98 0.00 0.00 173.24 173.46 2ber s LYS 361 N -0.67 0.30 -0.00 4.02 2.20 -0.05 -5.00 119.74 120.53 2ber s LYS 361 Ca -0.08 0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 55.63 2ber s LYS 361 Cb -0.04 0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.36 2ber s LYS 361 CO 0.03 -0.05 1.16 0.08 -0.36 0.00 0.00 175.35 176.20 2ber s VAL 362 N 0.28 4.28 -0.11 4.02 1.01 -1.26 -0.85 120.40 127.76 2ber s VAL 362 Ca -0.01 1.62 0.20 0.00 0.00 0.00 0.00 61.98 63.79 2ber s VAL 362 Cb -0.03 -4.04 -0.29 0.00 0.00 0.00 0.00 36.38 32.02 2ber s VAL 362 CO -0.01 0.07 0.28 2.22 0.00 0.00 0.00 175.10 177.66 2ber n PHE 363 N 4.50 0.00 -3.47 5.22 1.16 0.42 -4.87 117.46 120.42 2ber n PHE 363 Ca 0.09 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.44 2ber n PHE 363 Cb 0.47 -0.74 -0.12 0.00 -1.61 0.00 0.00 39.48 37.48 2ber n PHE 363 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 2ber s GLN 364 N -3.00 0.29 0.49 3.97 2.00 -0.94 -5.00 119.66 117.47 2ber s GLN 364 Ca -0.09 -0.45 0.23 0.00 -2.00 0.00 0.00 55.36 53.05 2ber s GLN 364 Cb 0.10 -0.94 1.27 0.00 0.80 0.00 0.00 33.01 34.24 2ber s GLN 364 CO 0.86 -1.05 2.03 -1.00 -0.50 0.00 0.00 175.29 175.63 2ber h PRO 365 N 8.18 0.00 0.00 1.67 0.13 -1.90 0.11 132.00 140.19 2ber h PRO 365 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2ber h PRO 365 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2ber h PRO 365 CO 0.37 0.16 0.00 0.41 -0.23 0.00 0.00 178.00 178.71 2ber n GLY 366 N -0.75 1.30 3.75 1.56 0.00 -1.26 -3.38 105.19 106.41 2ber n GLY 366 Ca -0.02 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 2ber n GLY 366 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ber n SER 367 N 0.00 3.74 -3.16 1.61 2.88 -1.26 -2.13 113.62 115.30 2ber n SER 367 Ca 0.00 1.18 0.02 0.00 -1.33 0.00 0.00 58.87 58.74 2ber n SER 367 Cb 0.00 -1.59 -0.01 0.00 -0.75 0.00 0.00 64.21 61.86 2ber n SER 367 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 2ber s MET 368 N -1.19 0.69 -0.12 -1.46 0.00 -0.16 -4.49 119.30 112.57 2ber s MET 368 Ca 0.60 -0.04 0.15 0.00 0.00 0.00 0.00 55.69 56.39 2ber s MET 368 Cb -0.50 0.13 0.47 0.00 0.00 0.00 0.00 34.83 34.93 2ber s MET 368 CO 0.55 -1.05 1.38 -1.13 0.00 0.00 0.00 175.02 174.77 2ber n SER 369 N 4.61 3.65 0.00 1.11 3.41 -0.54 -3.88 113.62 121.98 2ber n SER 369 Ca 0.09 -2.65 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 2ber n SER 369 Cb 0.57 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 2ber n SER 369 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ber n GLY 370 N -0.06 1.44 3.56 5.00 0.00 -1.26 -4.85 105.19 109.01 2ber n GLY 370 Ca 0.18 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 2ber n GLY 370 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ber s SER 371 N 0.00 -0.50 -0.05 1.61 1.04 -1.26 -1.20 113.70 113.34 2ber s SER 371 Ca 0.00 0.59 -0.06 0.00 0.48 0.00 0.00 55.95 56.96 2ber s SER 371 Cb 0.00 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.60 2ber s SER 371 CO 0.00 -0.43 0.15 0.28 0.98 0.00 0.00 173.24 174.22 2ber s THR 372 N -1.01 0.01 -0.03 2.02 -1.32 -0.43 -3.98 115.64 110.90 2ber s THR 372 Ca -0.05 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 2ber s THR 372 Cb -0.01 -0.25 -0.04 0.00 -1.51 0.00 0.00 72.50 70.70 2ber s THR 372 CO 0.04 -0.05 0.02 -0.76 -2.21 0.00 0.00 174.62 171.67 2ber s LEU 373 N -0.09 3.60 0.02 9.08 1.43 -1.26 -1.41 118.68 130.05 2ber s LEU 373 Ca -0.02 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 2ber s LEU 373 Cb -0.02 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 2ber s LEU 373 CO 0.00 0.31 0.02 0.28 0.23 0.00 0.00 176.35 177.19 2ber s THR 374 N -1.05 0.11 -0.15 5.49 -1.32 -0.60 -4.91 115.64 113.21 2ber s THR 374 Ca 0.18 -0.89 -0.25 0.00 -1.21 0.00 0.00 61.69 59.52 2ber s THR 374 Cb -0.12 -0.37 -0.02 0.00 -1.51 0.00 0.00 72.50 70.48 2ber s THR 374 CO 0.09 -0.49 0.81 0.00 -2.21 0.00 0.00 174.62 172.81 2ber s ALA 375 N -1.57 3.47 0.28 11.08 0.00 -1.26 -1.06 121.76 132.70 2ber s ALA 375 Ca -0.14 0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.80 2ber s ALA 375 Cb -0.08 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 19.80 2ber s ALA 375 CO -0.01 -0.54 0.57 -0.51 0.00 0.00 0.00 175.76 175.27 2ber s LEU 376 N 1.88 4.07 0.64 0.00 1.43 -0.16 -4.85 118.68 121.69 2ber s LEU 376 Ca 0.38 0.82 0.36 0.00 -1.03 0.00 0.00 54.13 54.66 2ber s LEU 376 Cb -0.17 -3.63 1.98 0.00 0.03 0.00 0.00 46.19 44.41 2ber s LEU 376 CO 0.14 -0.18 2.18 -0.65 0.23 0.00 0.00 176.35 178.07 2ber h PRO 377 N 1.91 0.00 -0.20 1.29 0.11 -1.95 -2.74 132.00 130.42 2ber h PRO 377 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2ber h PRO 377 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2ber h PRO 377 CO 0.67 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.06 2ber n ASP 378 N -3.27 1.16 0.00 -2.05 5.75 -1.26 -4.90 116.55 111.99 2ber n ASP 378 Ca -0.02 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 2ber n ASP 378 Cb 0.22 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 2ber n ASP 378 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ber n GLY 379 N 0.88 1.60 2.89 6.12 0.00 -1.03 -5.04 105.19 110.61 2ber n GLY 379 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 2ber n GLY 379 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ber n THR 380 N -2.00 0.00 -4.60 2.61 -2.24 -1.26 -4.80 114.28 101.99 2ber n THR 380 Ca 0.00 -1.26 -0.24 0.00 -2.27 0.00 0.00 64.05 60.28 2ber n THR 380 Cb 0.00 -0.89 -0.16 0.00 -2.10 0.00 0.00 70.33 67.18 2ber n THR 380 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2ber s TYR 381 N -2.04 1.36 0.25 4.78 2.02 -0.42 -0.99 117.35 122.31 2ber s TYR 381 Ca 0.48 -0.41 -0.10 0.00 -0.37 0.00 0.00 57.07 56.67 2ber s TYR 381 Cb -0.03 -0.96 -0.07 0.00 -0.40 0.00 0.00 41.96 40.50 2ber s TYR 381 CO 0.31 -0.17 0.57 0.20 -1.57 0.00 0.00 175.55 174.89 2ber s GLY 382 N 0.28 2.24 -0.25 0.71 0.00 -0.22 -1.57 107.32 108.52 2ber s GLY 382 Ca -0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 44.72 44.35 2ber s GLY 382 CO 0.02 -0.13 0.27 -2.27 0.00 0.00 0.00 173.10 170.99 2ber s LEU 383 N -2.92 -0.23 -0.26 0.66 2.96 0.22 -1.56 118.68 117.56 2ber s LEU 383 Ca 0.48 -0.38 -0.09 0.00 -0.22 0.00 0.00 54.13 53.92 2ber s LEU 383 Cb -0.11 0.53 -0.04 0.00 0.50 0.00 0.00 46.19 47.07 2ber s LEU 383 CO 0.22 -0.35 0.12 -0.22 -1.32 0.00 0.00 176.35 174.80 2ber s LEU 384 N 2.37 3.67 0.15 -0.68 2.96 -0.50 -0.49 118.68 126.16 2ber s LEU 384 Ca 0.09 -0.13 -0.08 0.00 -0.22 0.00 0.00 54.13 53.79 2ber s LEU 384 Cb -0.15 -2.00 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 2ber s LEU 384 CO -0.21 -0.04 0.26 -0.72 -1.32 0.00 0.00 176.35 174.32 2ber s TYR 385 N 1.66 0.40 -0.49 5.38 -0.85 0.06 -1.32 117.35 122.20 2ber s TYR 385 Ca 0.07 -0.77 -0.17 0.00 -0.52 0.00 0.00 57.07 55.68 2ber s TYR 385 Cb -0.15 -0.09 0.07 0.00 0.38 0.00 0.00 41.96 42.17 2ber s TYR 385 CO 0.06 -0.69 0.48 -1.21 -1.52 0.00 0.00 175.55 172.68 2ber s GLU 386 N -3.96 3.03 0.00 -3.49 2.02 -0.34 -0.48 118.70 115.48 2ber s GLU 386 Ca 0.16 -1.21 0.28 0.00 0.02 0.00 0.00 54.97 54.22 2ber s GLU 386 Cb 0.04 -4.13 1.14 0.00 0.10 0.00 0.00 34.13 31.28 2ber s GLU 386 CO -0.01 -1.11 1.80 -2.30 0.02 0.00 0.00 175.26 173.66 2ber n PRO 387 N 5.54 1.24 0.00 0.39 -0.02 -1.26 -1.47 135.00 139.42 2ber n PRO 387 Ca -0.11 -0.61 0.00 0.00 -2.02 0.00 0.00 63.50 60.76 2ber n PRO 387 Cb 0.44 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 2ber n PRO 387 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ber n GLY 388 N 1.20 1.98 0.45 -1.23 0.00 -1.26 -4.51 105.19 101.82 2ber n GLY 388 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 2ber n GLY 388 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ber n THR 389 N -1.47 0.00 0.00 2.61 -2.24 -1.26 -4.98 114.28 106.94 2ber n THR 389 Ca 0.00 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2ber n THR 389 Cb 0.00 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 2ber n THR 389 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ber n GLY 390 N 1.27 0.67 2.97 3.38 0.00 -1.26 -0.96 105.19 111.27 2ber n GLY 390 Ca 0.08 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 2ber n GLY 390 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ber s ILE 391 N 0.00 1.05 -0.04 -0.61 -1.09 -0.55 -4.04 121.20 115.92 2ber s ILE 391 Ca 0.00 -0.39 0.05 0.00 -2.23 0.00 0.00 60.65 58.08 2ber s ILE 391 Cb 0.00 -1.00 -0.01 0.00 -1.58 0.00 0.00 42.46 39.87 2ber s ILE 391 CO 0.00 0.35 -0.18 -0.60 -1.23 0.00 0.00 174.94 173.28 2ber s ARG 392 N 1.03 1.84 -0.24 2.79 3.52 0.37 -0.56 118.95 127.70 2ber s ARG 392 Ca -0.08 -0.65 -0.10 0.00 -0.13 0.00 0.00 55.73 54.77 2ber s ARG 392 Cb -0.15 -1.62 -0.05 0.00 -1.56 0.00 0.00 34.95 31.58 2ber s ARG 392 CO -0.01 0.28 0.14 -0.47 -0.81 0.00 0.00 175.30 174.44 2ber s TYR 393 N -0.05 3.26 0.17 5.12 5.04 0.47 -0.76 117.35 130.60 2ber s TYR 393 Ca -0.02 0.10 0.11 0.00 -2.44 0.00 0.00 57.07 54.82 2ber s TYR 393 Cb -0.11 -2.26 -0.04 0.00 0.35 0.00 0.00 41.96 39.90 2ber s TYR 393 CO 0.02 -0.01 -0.24 0.00 -1.34 0.00 0.00 175.55 173.98 2ber s ALA 394 N 1.15 2.42 -0.04 3.97 0.00 0.36 -0.60 121.76 129.00 2ber s ALA 394 Ca 0.07 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.45 2ber s ALA 394 Cb -0.14 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.69 2ber s ALA 394 CO 0.05 0.43 -0.01 1.21 0.00 0.00 0.00 175.76 177.43 2ber s ASN 395 N -2.52 0.89 0.10 0.00 2.47 -0.60 -0.61 114.94 114.67 2ber s ASN 395 Ca 0.18 -0.07 -0.01 0.00 0.42 0.00 0.00 52.86 53.39 2ber s ASN 395 Cb -0.08 -0.34 -0.04 0.00 -1.45 0.00 0.00 41.25 39.34 2ber s ASN 395 CO 0.09 -0.11 0.01 0.72 -3.72 0.00 0.00 177.10 174.08 2ber s PHE 396 N 1.26 0.74 0.43 0.43 -0.12 -0.60 -1.71 117.98 118.41 2ber s PHE 396 Ca -0.06 -1.13 0.04 0.00 -0.05 0.00 0.00 56.93 55.73 2ber s PHE 396 Cb -0.13 -0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 41.75 2ber s PHE 396 CO -0.02 -0.42 0.02 0.54 -0.05 0.00 0.00 175.22 175.30 2ber s ASN 397 N -3.00 3.66 0.35 1.98 2.20 -1.02 -1.30 114.94 117.81 2ber s ASN 397 Ca 0.16 -1.49 0.14 0.00 -0.94 0.00 0.00 52.86 50.73 2ber s ASN 397 Cb 0.07 0.03 0.63 0.00 -2.00 0.00 0.00 41.25 39.98 2ber s ASN 397 CO -0.03 -0.65 1.75 -0.07 -2.94 0.00 0.00 177.10 175.16 2ber h LEU 398 N 1.68 0.00 -1.05 3.54 3.38 -1.92 -2.55 115.31 118.40 2ber h LEU 398 Ca -0.43 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.57 2ber h LEU 398 Cb 1.27 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 2ber h LEU 398 CO 0.75 0.44 0.64 0.00 0.09 0.00 0.00 178.44 180.36 2ber h ALA 399 N 1.56 1.34 -0.20 1.53 0.00 -1.89 -1.02 119.26 120.58 2ber h ALA 399 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ber h ALA 399 Cb 0.84 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2ber h ALA 399 CO 0.06 0.58 0.12 2.35 0.00 0.00 0.00 179.25 182.36 2ber h TRP 400 N 1.26 0.25 -0.56 0.00 7.01 -1.71 -3.15 115.95 119.05 2ber h TRP 400 Ca 0.38 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.40 2ber h TRP 400 Cb -0.06 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 26.89 2ber h TRP 400 CO -0.00 0.19 0.35 1.25 -2.79 0.00 0.00 178.44 177.44 2ber h LEU 401 N 0.25 0.58 0.00 0.65 5.85 -1.10 -3.47 115.31 118.07 2ber h LEU 401 Ca 0.07 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2ber h LEU 401 Cb 0.01 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.91 2ber h LEU 401 CO -0.01 0.41 0.00 0.61 -0.34 0.00 0.00 178.44 179.11 2ber n GLY 402 N -1.25 0.50 3.95 3.75 0.00 -0.43 -4.69 105.19 107.02 2ber n GLY 402 Ca 0.04 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 2ber n GLY 402 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ber s GLY 403 N -2.92 1.34 0.01 -0.02 0.00 -1.26 -1.26 107.32 103.20 2ber s GLY 403 Ca 0.00 -1.03 0.08 0.00 0.00 0.00 0.00 44.72 43.77 2ber s GLY 403 CO 0.00 -0.98 -0.23 -1.50 0.00 0.00 0.00 173.10 170.39 2ber s ILE 404 N -2.24 2.33 -1.28 0.90 2.07 -0.72 -4.41 121.20 117.85 2ber s ILE 404 Ca 0.39 -1.17 -0.19 0.00 -1.41 0.00 0.00 60.65 58.28 2ber s ILE 404 Cb -0.09 -1.88 0.03 0.00 0.13 0.00 0.00 42.46 40.64 2ber s ILE 404 CO 0.34 0.47 1.83 0.00 -1.91 0.00 0.00 174.94 175.67 2ber n ALA 406 N 9.45 1.38 -1.78 0.00 0.00 -1.26 -1.03 120.51 127.27 2ber n ALA 406 Ca 0.48 -2.83 -0.41 0.00 0.00 0.00 0.00 53.44 50.68 2ber n ALA 406 Cb 0.45 -0.96 -0.00 0.00 0.00 0.00 0.00 19.45 18.95 2ber n ALA 406 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ber n PRO 407 N 1.55 2.70 -4.05 0.00 -0.04 -1.18 -4.62 135.00 129.37 2ber n PRO 407 Ca 0.18 0.95 -0.08 0.00 -0.04 0.00 0.00 63.50 64.52 2ber n PRO 407 Cb 0.55 -2.69 -0.09 0.00 -0.04 0.00 0.00 33.50 31.23 2ber n PRO 407 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ber s PHE 408 N -1.01 0.48 0.02 0.54 -0.12 -1.26 -0.27 117.98 116.36 2ber s PHE 408 Ca 0.54 -0.99 0.08 0.00 -0.05 0.00 0.00 56.93 56.51 2ber s PHE 408 Cb -0.47 -0.33 -0.02 0.00 -0.63 0.00 0.00 43.02 41.56 2ber s PHE 408 CO 0.62 -0.43 -0.24 0.95 -0.05 0.00 0.00 175.22 176.08 2ber s THR 409 N -3.92 1.89 -0.05 -4.49 -4.23 -0.32 -4.78 115.64 99.74 2ber s THR 409 Ca 0.08 -1.19 0.01 0.00 -1.18 0.00 0.00 61.69 59.41 2ber s THR 409 Cb 0.07 -1.61 0.02 0.00 1.34 0.00 0.00 72.50 72.33 2ber s THR 409 CO -0.09 0.38 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.69 2ber s ILE 410 N -0.71 0.56 0.61 2.99 1.01 -1.26 -2.11 121.20 122.29 2ber s ILE 410 Ca 0.10 -0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.48 2ber s ILE 410 Cb -0.09 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 2ber s ILE 410 CO 0.01 0.23 1.03 -2.16 0.00 0.00 0.00 174.94 174.05 2ber s PRO 411 N 0.91 3.50 0.57 2.79 0.04 -1.26 -4.71 135.00 136.84 2ber s PRO 411 Ca -0.11 0.92 -0.20 0.00 0.04 0.00 0.00 61.00 61.64 2ber s PRO 411 Cb -0.14 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2ber s PRO 411 CO 0.00 -0.65 1.25 -0.51 0.04 0.00 0.00 177.00 177.13 2ber s ASP 412 N -3.60 5.28 -0.00 6.66 1.01 -1.26 -4.72 116.67 120.03 2ber s ASP 412 Ca 0.58 2.50 -0.06 0.00 0.71 0.00 0.00 52.55 56.28 2ber s ASP 412 Cb -0.12 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.20 2ber s ASP 412 CO 0.46 -1.54 0.11 0.54 0.21 0.00 0.00 175.17 174.95 2ber s VAL 413 N -1.49 0.07 0.01 -1.27 0.11 -0.57 -4.98 120.40 112.28 2ber s VAL 413 Ca 0.75 -0.62 0.09 0.00 -2.93 0.00 0.00 61.98 59.26 2ber s VAL 413 Cb -0.34 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.12 2ber s VAL 413 CO 0.38 -0.34 -0.26 0.00 -3.33 0.00 0.00 175.10 171.55 2ber s ALA 414 N -1.17 2.20 0.32 1.54 0.00 -1.26 -0.21 121.76 123.18 2ber s ALA 414 Ca -0.13 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.53 2ber s ALA 414 Cb -0.07 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.55 2ber s ALA 414 CO 0.01 0.53 0.59 -0.48 0.00 0.00 0.00 175.76 176.41 2ber s LEU 415 N -0.91 0.39 0.18 0.00 0.05 -0.08 -4.95 118.68 113.36 2ber s LEU 415 Ca 0.11 -1.13 -0.02 0.00 0.05 0.00 0.00 54.13 53.13 2ber s LEU 415 Cb -0.10 2.08 -0.05 0.00 -2.05 0.00 0.00 46.19 46.07 2ber s LEU 415 CO 0.00 -1.37 0.39 -1.61 -0.55 0.00 0.00 176.35 173.22 2ber s GLU 416 N -3.22 3.56 0.46 1.48 0.41 -1.26 -1.46 118.70 118.68 2ber s GLU 416 Ca 0.22 -0.22 -0.24 0.00 -0.41 0.00 0.00 54.97 54.32 2ber s GLU 416 Cb -0.02 -2.83 -0.09 0.00 -1.78 0.00 0.00 34.13 29.40 2ber s GLU 416 CO 0.13 0.42 1.15 -0.35 -0.49 0.00 0.00 175.26 176.12 2ber n PRO 417 N -0.37 1.56 -1.22 0.39 -0.04 -1.26 -2.41 135.00 131.65 2ber n PRO 417 Ca -0.04 0.56 -0.02 0.00 -0.04 0.00 0.00 63.50 63.96 2ber n PRO 417 Cb 0.53 -2.26 -0.01 0.00 -0.04 0.00 0.00 33.50 31.72 2ber n PRO 417 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ber n GLY 418 N 1.00 0.52 3.43 0.55 0.00 0.25 -4.67 105.19 106.27 2ber n GLY 418 Ca 0.09 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 2ber n GLY 418 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ber s GLN 419 N -2.50 1.61 0.10 1.61 -0.21 -1.01 -4.82 119.66 114.43 2ber s GLN 419 Ca 0.00 -1.88 0.07 0.00 0.02 0.00 0.00 55.36 53.57 2ber s GLN 419 Cb 0.00 -0.84 -0.03 0.00 1.00 0.00 0.00 33.01 33.13 2ber s GLN 419 CO 0.00 -0.17 -0.18 -1.14 -2.12 0.00 0.00 175.29 171.68 2ber s GLN 420 N -3.88 1.03 0.01 2.91 0.74 -1.26 -1.61 119.66 117.61 2ber s GLN 420 Ca 0.36 -1.13 -0.08 0.00 0.05 0.00 0.00 55.36 54.56 2ber s GLN 420 Cb 0.08 -1.17 0.00 0.00 1.10 0.00 0.00 33.01 33.02 2ber s GLN 420 CO 0.15 0.26 0.16 0.54 -0.55 0.00 0.00 175.29 175.85 2ber s VAL 421 N -1.36 0.09 -0.09 1.34 0.11 -0.44 -4.99 120.40 115.05 2ber s VAL 421 Ca 0.05 -0.75 0.03 0.00 -2.93 0.00 0.00 61.98 58.37 2ber s VAL 421 Cb -0.09 -0.59 -0.01 0.00 -1.53 0.00 0.00 36.38 34.16 2ber s VAL 421 CO 0.04 -0.41 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.33 2ber s THR 422 N -1.73 2.69 0.10 5.04 2.01 -1.26 -0.72 115.64 121.77 2ber s THR 422 Ca -0.12 -0.82 0.10 0.00 0.31 0.00 0.00 61.69 61.16 2ber s THR 422 Cb -0.06 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 2ber s THR 422 CO 0.00 0.55 -0.24 0.68 -0.69 0.00 0.00 174.62 174.93 2ber s VAL 423 N 0.03 2.44 0.41 3.82 -7.23 -0.39 -4.97 120.40 114.52 2ber s VAL 423 Ca -0.06 -1.54 -0.19 0.00 -1.81 0.00 0.00 61.98 58.37 2ber s VAL 423 Cb -0.15 -2.05 -0.10 0.00 0.56 0.00 0.00 36.38 34.63 2ber s VAL 423 CO 0.05 0.19 0.90 -2.16 -0.31 0.00 0.00 175.10 173.77 2ber s PRO 424 N -1.81 4.17 -0.09 4.82 0.04 -1.26 -1.50 135.00 139.37 2ber s PRO 424 Ca 0.14 1.01 0.02 0.00 0.04 0.00 0.00 61.00 62.22 2ber s PRO 424 Cb -0.10 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 2ber s PRO 424 CO 0.06 0.00 -0.15 0.08 0.04 0.00 0.00 177.00 177.03 2ber s VAL 425 N -2.16 2.92 -0.23 -0.36 1.01 -0.40 -4.23 120.40 116.96 2ber s VAL 425 Ca 0.60 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2ber s VAL 425 Cb -0.09 -2.18 0.06 0.00 0.00 0.00 0.00 36.38 34.17 2ber s VAL 425 CO 0.15 0.56 -0.06 0.00 0.00 0.00 0.00 175.10 175.75 2ber s ALA 426 N -0.15 1.96 -0.26 5.51 0.00 -0.90 -1.00 121.76 126.92 2ber s ALA 426 Ca -0.01 -1.34 -0.11 0.00 0.00 0.00 0.00 51.96 50.50 2ber s ALA 426 Cb -0.14 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.52 2ber s ALA 426 CO 0.03 -1.16 0.18 0.08 0.00 0.00 0.00 175.76 174.89 2ber s VAL 427 N 1.40 5.33 -0.43 0.00 1.01 -0.05 -1.18 120.40 126.47 2ber s VAL 427 Ca -0.05 0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 2ber s VAL 427 Cb -0.19 -3.51 0.04 0.00 0.00 0.00 0.00 36.38 32.72 2ber s VAL 427 CO -0.06 0.29 0.37 -0.89 0.00 0.00 0.00 175.10 174.81 2ber s THR 428 N 1.44 5.20 -0.50 3.92 2.01 0.62 -0.04 115.64 128.30 2ber s THR 428 Ca 0.07 -0.71 -0.26 0.00 0.31 0.00 0.00 61.69 61.10 2ber s THR 428 Cb -0.15 -4.02 0.03 0.00 0.01 0.00 0.00 72.50 68.37 2ber s THR 428 CO 0.08 -0.43 0.98 0.21 -0.69 0.00 0.00 174.62 174.77 2ber s ASN 429 N 2.02 6.46 0.00 3.53 2.47 -1.00 -3.11 114.94 125.31 2ber s ASN 429 Ca 0.06 0.03 0.20 0.00 0.42 0.00 0.00 52.86 53.58 2ber s ASN 429 Cb -0.20 -2.47 0.40 0.00 -1.45 0.00 0.00 41.25 37.53 2ber s ASN 429 CO 0.10 -1.16 1.34 0.00 -3.72 0.00 0.00 177.10 173.65 2ber n GLN 430 N 7.45 2.39 0.16 0.43 6.02 -0.20 -3.98 117.38 129.65 2ber n GLN 430 Ca 0.06 -2.19 0.04 0.00 -0.01 0.00 0.00 57.00 54.90 2ber n GLN 430 Cb 0.48 -1.46 0.08 0.00 1.02 0.00 0.00 30.24 30.37 2ber n GLN 430 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2ber h SER 431 N 3.91 0.00 0.00 1.08 4.64 -1.79 -3.47 113.55 117.91 2ber h SER 431 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ber h SER 431 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2ber h SER 431 CO 0.00 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 177.00 2ber n GLY 432 N 1.09 0.68 3.43 -0.77 0.00 -1.26 -5.03 105.19 103.33 2ber n GLY 432 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 2ber n GLY 432 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ber s ILE 433 N -2.87 2.09 0.07 -0.61 -4.36 -1.26 -4.71 121.20 109.56 2ber s ILE 433 Ca 0.00 -2.29 -0.25 0.00 -0.26 0.00 0.00 60.65 57.85 2ber s ILE 433 Cb 0.00 -2.25 -0.06 0.00 1.25 0.00 0.00 42.46 41.40 2ber s ILE 433 CO 0.00 -0.44 0.78 0.00 0.24 0.00 0.00 174.94 175.51 2ber s ALA 434 N -2.74 3.38 -0.34 2.27 0.00 -1.26 -3.79 121.76 119.27 2ber s ALA 434 Ca 0.27 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.56 2ber s ALA 434 Cb -0.02 -3.00 0.10 0.00 0.00 0.00 0.00 23.12 20.20 2ber s ALA 434 CO 0.12 0.10 0.08 0.08 0.00 0.00 0.00 175.76 176.14 2ber s VAL 435 N -0.23 1.72 0.38 0.00 1.01 -0.49 -4.99 120.40 117.80 2ber s VAL 435 Ca 0.38 -2.02 0.14 0.00 0.00 0.00 0.00 61.98 60.49 2ber s VAL 435 Cb -0.21 -2.27 0.13 0.00 0.00 0.00 0.00 36.38 34.02 2ber s VAL 435 CO 0.24 -0.65 1.87 1.55 0.00 0.00 0.00 175.10 178.11 2ber h PRO 436 N 7.73 0.00 -2.04 2.72 0.13 -1.95 -1.55 132.00 137.03 2ber h PRO 436 Ca -0.08 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.51 2ber h PRO 436 Cb 1.01 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.74 2ber h PRO 436 CO 0.51 0.32 -1.03 1.63 -0.23 0.00 0.00 178.00 179.19 2ber n LYS 437 N -4.08 1.18 -1.62 0.86 5.02 -1.26 -4.48 118.16 113.78 2ber n LYS 437 Ca -0.02 -3.56 -0.32 0.00 -2.02 0.00 0.00 58.31 52.39 2ber n LYS 437 Cb 0.37 -1.54 0.05 0.00 -0.02 0.00 0.00 35.03 33.88 2ber n LYS 437 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2ber s PRO 438 N -1.82 2.85 0.18 1.97 0.04 -1.26 -4.88 135.00 132.07 2ber s PRO 438 Ca 0.38 1.11 0.07 0.00 0.04 0.00 0.00 61.00 62.59 2ber s PRO 438 Cb 0.22 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.74 2ber s PRO 438 CO -0.09 -1.18 -0.13 -1.54 0.04 0.00 0.00 177.00 174.10 2ber s SER 439 N -3.34 2.29 -0.10 6.66 1.04 -0.60 -4.63 113.70 115.02 2ber s SER 439 Ca 0.61 -1.01 0.02 0.00 0.48 0.00 0.00 55.95 56.05 2ber s SER 439 Cb -0.16 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 65.88 2ber s SER 439 CO 0.50 -0.23 -0.16 -0.22 0.98 0.00 0.00 173.24 174.11 2ber s LEU 440 N -3.25 1.76 -0.17 2.42 2.96 -1.26 -1.15 118.68 119.99 2ber s LEU 440 Ca 0.20 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 2ber s LEU 440 Cb 0.00 -1.10 0.01 0.00 0.50 0.00 0.00 46.19 45.60 2ber s LEU 440 CO 0.05 0.03 -0.19 -1.58 -1.32 0.00 0.00 176.35 173.34 2ber s GLN 441 N 0.89 3.07 -0.03 1.98 0.74 0.05 -4.41 119.66 121.95 2ber s GLN 441 Ca -0.09 -0.81 0.01 0.00 0.05 0.00 0.00 55.36 54.53 2ber s GLN 441 Cb -0.15 -2.57 -0.03 0.00 1.10 0.00 0.00 33.01 31.35 2ber s GLN 441 CO -0.00 -0.11 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.10 2ber s LEU 442 N 1.07 3.40 -0.39 3.68 1.02 -1.26 -0.68 118.68 125.53 2ber s LEU 442 Ca -0.01 0.00 -0.00 0.00 0.02 0.00 0.00 54.13 54.14 2ber s LEU 442 Cb -0.14 -1.87 0.11 0.00 0.02 0.00 0.00 46.19 44.30 2ber s LEU 442 CO -0.06 0.32 0.15 -0.62 0.02 0.00 0.00 176.35 176.16 2ber s ASP 443 N -1.22 5.08 0.35 2.29 2.15 0.16 -4.98 116.67 120.49 2ber s ASP 443 Ca 0.16 -2.09 0.05 0.00 0.43 0.00 0.00 52.55 51.11 2ber s ASP 443 Cb -0.11 -1.76 -0.03 0.00 -0.30 0.00 0.00 42.92 40.72 2ber s ASP 443 CO 0.06 -0.48 0.20 0.00 -0.17 0.00 0.00 175.17 174.78 2ber s ALA 444 N 1.04 2.23 0.23 3.66 0.00 -1.26 -1.30 121.76 126.36 2ber s ALA 444 Ca 0.09 -1.71 -0.31 0.00 0.00 0.00 0.00 51.96 50.04 2ber s ALA 444 Cb -0.21 1.17 -0.14 0.00 0.00 0.00 0.00 23.12 23.94 2ber s ALA 444 CO -0.06 -0.52 1.21 0.43 0.00 0.00 0.00 175.76 176.82 2ber n SER 445 N -1.32 1.86 0.28 0.00 7.64 -1.26 -4.86 113.62 115.95 2ber n SER 445 Ca 0.02 1.16 0.18 0.00 1.01 0.00 0.00 58.87 61.24 2ber n SER 445 Cb 0.64 -1.32 0.90 0.00 -1.01 0.00 0.00 64.21 63.42 2ber n SER 445 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2ber h PRO 446 N 3.21 0.00 -0.13 1.43 0.13 -2.02 -1.05 132.00 133.58 2ber h PRO 446 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2ber h PRO 446 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2ber h PRO 446 CO 0.69 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.06 2ber n ASP 447 N -2.88 2.07 -4.92 1.44 5.75 -1.26 -4.88 116.55 111.87 2ber n ASP 447 Ca -0.01 -1.73 -0.27 0.00 -0.01 0.00 0.00 54.79 52.78 2ber n ASP 447 Cb 0.15 -0.08 -0.01 0.00 -1.03 0.00 0.00 41.12 40.15 2ber n ASP 447 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 2ber s TRP 448 N -1.85 3.52 -0.26 2.11 0.52 -0.40 -4.61 118.94 117.98 2ber s TRP 448 Ca 0.34 0.63 -0.07 0.00 0.02 0.00 0.00 56.10 57.02 2ber s TRP 448 Cb 0.20 -2.12 -0.02 0.00 -1.15 0.00 0.00 33.47 30.37 2ber s TRP 448 CO 0.30 -0.03 0.07 -0.65 0.02 0.00 0.00 176.95 176.67 2ber s GLN 449 N -4.28 3.54 -0.03 4.98 1.11 -0.61 -4.92 119.66 119.46 2ber s GLN 449 Ca 0.44 -0.55 0.01 0.00 0.01 0.00 0.00 55.36 55.27 2ber s GLN 449 Cb -0.10 -3.34 0.03 0.00 -1.01 0.00 0.00 33.01 28.58 2ber s GLN 449 CO 0.38 -0.24 -0.01 0.08 0.01 0.00 0.00 175.29 175.50 2ber s VAL 450 N 1.60 0.26 0.07 1.09 1.01 -1.26 0.04 120.40 123.20 2ber s VAL 450 Ca 0.06 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 2ber s VAL 450 Cb -0.15 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 35.88 2ber s VAL 450 CO 0.03 0.17 0.19 0.00 0.00 0.00 0.00 175.10 175.49 2ber s GLN 451 N 1.01 0.78 0.26 2.72 -2.07 -0.69 -4.87 119.66 116.80 2ber s GLN 451 Ca -0.10 -0.81 -0.14 0.00 -1.82 0.00 0.00 55.36 52.49 2ber s GLN 451 Cb -0.14 0.32 0.00 0.00 -1.09 0.00 0.00 33.01 32.10 2ber s GLN 451 CO -0.01 -0.24 0.52 0.20 -1.32 0.00 0.00 175.29 174.44 2ber s GLY 452 N -2.51 0.44 0.07 2.60 0.00 -1.26 -0.51 107.32 106.15 2ber s GLY 452 Ca 0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 44.72 43.81 2ber s GLY 452 CO -0.08 -0.53 0.29 -1.35 0.00 0.00 0.00 173.10 171.43 2ber s SER 453 N -3.00 -0.07 -0.03 1.64 1.04 -0.17 -4.35 113.70 108.75 2ber s SER 453 Ca 0.20 -0.36 -0.06 0.00 0.48 0.00 0.00 55.95 56.22 2ber s SER 453 Cb -0.02 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.49 2ber s SER 453 CO 0.09 -0.70 0.13 0.54 0.98 0.00 0.00 173.24 174.28 2ber s VAL 454 N -3.21 0.03 0.73 5.02 0.11 -1.26 -1.31 120.40 120.51 2ber s VAL 454 Ca -0.00 -0.26 -0.11 0.00 -2.93 0.00 0.00 61.98 58.67 2ber s VAL 454 Cb 0.01 -0.28 0.03 0.00 -1.53 0.00 0.00 36.38 34.61 2ber s VAL 454 CO -0.08 -0.14 1.07 -1.61 -3.33 0.00 0.00 175.10 171.01 2ber s GLU 455 N -0.46 2.62 0.48 1.54 2.02 -0.00 -4.67 118.70 120.23 2ber s GLU 455 Ca -0.05 0.91 -0.23 0.00 0.02 0.00 0.00 54.97 55.62 2ber s GLU 455 Cb -0.04 -1.96 -0.08 0.00 0.10 0.00 0.00 34.13 32.15 2ber s GLU 455 CO 0.01 -1.31 1.08 -2.30 0.02 0.00 0.00 175.26 172.75 2ber n PRO 456 N -3.26 1.37 -3.05 0.39 -0.02 -1.26 -4.79 135.00 124.38 2ber n PRO 456 Ca 0.08 0.50 -0.39 0.00 -2.02 0.00 0.00 63.50 61.66 2ber n PRO 456 Cb 0.54 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.77 2ber n PRO 456 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ber s LEU 457 N -1.43 4.48 0.04 2.45 1.43 -0.58 -4.84 118.68 120.23 2ber s LEU 457 Ca 0.67 1.42 0.07 0.00 -1.03 0.00 0.00 54.13 55.26 2ber s LEU 457 Cb -0.49 -3.16 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 2ber s LEU 457 CO 0.54 0.10 -0.21 -0.04 0.23 0.00 0.00 176.35 176.97 2ber s MET 458 N -0.42 1.38 0.31 1.70 -1.94 -1.26 -1.40 119.30 117.67 2ber s MET 458 Ca 0.36 -0.94 -0.29 0.00 -1.71 0.00 0.00 55.69 53.11 2ber s MET 458 Cb -0.21 -1.49 -0.13 0.00 2.01 0.00 0.00 34.83 35.01 2ber s MET 458 CO 0.22 0.38 1.25 -2.30 -0.01 0.00 0.00 175.02 174.56 2ber n PRO 459 N 1.85 1.91 -1.31 2.03 -0.02 -1.25 -2.28 135.00 135.94 2ber n PRO 459 Ca -0.17 0.67 -0.11 0.00 -2.02 0.00 0.00 63.50 61.88 2ber n PRO 459 Cb 0.53 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 2ber n PRO 459 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ber n GLY 460 N 1.18 1.03 3.35 -1.23 0.00 -1.26 -4.98 105.19 103.29 2ber n GLY 460 Ca 0.07 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 2ber n GLY 460 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ber s ARG 461 N -2.83 1.35 0.19 1.61 0.52 -0.97 -4.98 118.95 113.84 2ber s ARG 461 Ca 0.00 -1.59 -0.21 0.00 -0.52 0.00 0.00 55.73 53.41 2ber s ARG 461 Cb 0.00 -1.19 -0.08 0.00 0.52 0.00 0.00 34.95 34.20 2ber s ARG 461 CO 0.00 0.21 0.72 -0.65 0.02 0.00 0.00 175.30 175.59 2ber s GLN 462 N -3.55 4.33 0.09 3.54 -1.52 -1.26 -2.39 119.66 118.91 2ber s GLN 462 Ca 0.22 0.93 0.09 0.00 -1.95 0.00 0.00 55.36 54.65 2ber s GLN 462 Cb -0.02 -3.03 -0.04 0.00 -0.22 0.00 0.00 33.01 29.71 2ber s GLN 462 CO 0.07 0.47 -0.21 0.00 -0.25 0.00 0.00 175.29 175.38 2ber s ALA 463 N -1.37 2.54 0.13 6.09 0.00 0.94 -4.94 121.76 125.16 2ber s ALA 463 Ca 0.39 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 51.05 2ber s ALA 463 Cb -0.19 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 2ber s ALA 463 CO 0.22 0.57 0.22 -1.59 0.00 0.00 0.00 175.76 175.18 2ber s LYS 464 N -1.82 3.27 0.10 0.00 -2.85 -1.26 -0.87 119.74 116.30 2ber s LYS 464 Ca 0.15 -0.64 -0.02 0.00 -1.00 0.00 0.00 55.97 54.47 2ber s LYS 464 Cb -0.10 -2.89 0.01 0.00 -2.06 0.00 0.00 37.83 32.79 2ber s LYS 464 CO 0.07 0.53 0.16 0.41 0.10 0.00 0.00 175.35 176.62 2ber n GLY 465 N -0.27 2.41 3.29 0.59 0.00 -0.17 -0.82 105.19 110.21 2ber n GLY 465 Ca -0.07 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 2ber n GLY 465 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ber s GLN 466 N -2.13 0.84 -0.07 1.61 -2.07 -0.43 -1.27 119.66 116.14 2ber s GLN 466 Ca 0.06 -0.36 0.02 0.00 -1.82 0.00 0.00 55.36 53.26 2ber s GLN 466 Cb -0.01 0.37 0.02 0.00 -1.09 0.00 0.00 33.01 32.30 2ber s GLN 466 CO 0.04 -0.27 -0.10 0.08 -1.32 0.00 0.00 175.29 173.72 2ber s VAL 467 N -2.25 1.01 -0.12 3.63 1.01 -0.56 -1.00 120.40 122.13 2ber s VAL 467 Ca -0.07 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 2ber s VAL 467 Cb -0.02 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2ber s VAL 467 CO -0.01 0.33 0.05 -0.89 0.00 0.00 0.00 175.10 174.58 2ber s THR 468 N 0.80 4.73 -0.13 3.92 2.01 0.33 -1.26 115.64 126.05 2ber s THR 468 Ca -0.12 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 61.81 2ber s THR 468 Cb -0.15 -3.04 0.01 0.00 0.01 0.00 0.00 72.50 69.33 2ber s THR 468 CO 0.02 0.57 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.72 2ber s ILE 469 N -0.61 1.68 -0.11 1.82 1.09 0.11 -1.71 121.20 123.47 2ber s ILE 469 Ca 0.11 -0.74 0.01 0.00 -1.10 0.00 0.00 60.65 58.93 2ber s ILE 469 Cb -0.12 -1.52 -0.01 0.00 -1.06 0.00 0.00 42.46 39.74 2ber s ILE 469 CO 0.02 0.48 -0.15 -0.89 -0.10 0.00 0.00 174.94 174.30 2ber s THR 470 N 1.02 2.88 -0.14 2.92 2.01 0.11 -1.33 115.64 123.11 2ber s THR 470 Ca -0.05 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.23 2ber s THR 470 Cb -0.15 -2.18 0.00 0.00 0.01 0.00 0.00 72.50 70.19 2ber s THR 470 CO -0.03 0.54 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.57 2ber s VAL 471 N 0.12 2.43 0.60 3.82 1.01 -0.63 -1.57 120.40 126.19 2ber s VAL 471 Ca -0.07 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 60.85 2ber s VAL 471 Cb -0.15 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 2ber s VAL 471 CO 0.05 0.53 1.28 -2.84 0.00 0.00 0.00 175.10 174.12 2ber s PRO 472 N 0.69 2.88 0.51 2.72 0.02 -1.26 -0.58 135.00 139.98 2ber s PRO 472 Ca -0.09 2.02 -0.21 0.00 0.02 0.00 0.00 61.00 62.74 2ber s PRO 472 Cb -0.16 -1.99 -0.08 0.00 0.02 0.00 0.00 34.50 32.29 2ber s PRO 472 CO 0.01 -1.33 0.92 0.00 -0.33 0.00 0.00 177.00 176.27 2ber n ALA 473 N -1.53 -0.00 0.00 -1.55 0.00 -1.26 -2.55 120.51 113.62 2ber n ALA 473 Ca 0.13 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2ber n ALA 473 Cb 0.48 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.87 2ber n ALA 473 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ber n GLY 474 N 1.31 3.15 3.58 0.00 0.00 -1.26 -4.81 105.19 107.16 2ber n GLY 474 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 2ber n GLY 474 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ber n THR 475 N -1.46 1.92 -2.25 2.61 -1.04 -1.10 -4.84 114.28 108.12 2ber n THR 475 Ca 0.00 -0.48 -0.41 0.00 -2.04 0.00 0.00 64.05 61.12 2ber n THR 475 Cb 0.00 -0.94 -0.03 0.00 -1.82 0.00 0.00 70.33 67.54 2ber n THR 475 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2ber s THR 476 N -0.99 3.24 0.43 12.58 2.01 -1.26 -4.85 115.64 126.79 2ber s THR 476 Ca 0.60 1.06 -0.26 0.00 0.31 0.00 0.00 61.69 63.39 2ber s THR 476 Cb -0.72 -3.67 -0.09 0.00 0.01 0.00 0.00 72.50 68.02 2ber s THR 476 CO 0.59 0.18 1.46 -2.65 -0.69 0.00 0.00 174.62 173.50 2ber n PRO 477 N 2.33 2.40 0.00 4.92 -0.02 -1.26 -4.91 135.00 138.46 2ber n PRO 477 Ca 0.05 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2ber n PRO 477 Cb 0.43 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2ber n PRO 477 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ber n GLY 478 N 0.53 -0.48 3.45 -1.23 0.00 -0.10 -4.99 105.19 102.37 2ber n GLY 478 Ca 0.04 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 2ber n GLY 478 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ber s ARG 479 N -2.00 3.63 -0.18 1.61 0.52 -1.26 -0.72 118.95 120.54 2ber s ARG 479 Ca 0.00 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.71 2ber s ARG 479 Cb 0.00 -3.14 0.02 0.00 0.52 0.00 0.00 34.95 32.35 2ber s ARG 479 CO 0.00 -0.04 -0.20 0.71 0.02 0.00 0.00 175.30 175.80 2ber s TYR 480 N 1.14 2.79 0.18 -0.53 2.02 -0.15 -4.98 117.35 117.82 2ber s TYR 480 Ca 0.03 -1.67 -0.30 0.00 -0.37 0.00 0.00 57.07 54.76 2ber s TYR 480 Cb -0.14 -1.92 -0.07 0.00 -0.40 0.00 0.00 41.96 39.42 2ber s TYR 480 CO 0.02 -0.81 1.03 0.50 -1.57 0.00 0.00 175.55 174.72 2ber s ARG 481 N 1.28 4.68 -0.08 -0.62 6.06 -1.26 -0.44 118.95 128.56 2ber s ARG 481 Ca 0.04 1.61 0.02 0.00 -2.50 0.00 0.00 55.73 54.90 2ber s ARG 481 Cb -0.13 -3.30 0.01 0.00 0.06 0.00 0.00 34.95 31.59 2ber s ARG 481 CO -0.13 0.21 -0.14 0.08 -2.50 0.00 0.00 175.30 172.82 2ber s VAL 482 N -0.42 1.29 0.20 7.11 1.01 -0.21 -4.86 120.40 124.53 2ber s VAL 482 Ca 0.47 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 2ber s VAL 482 Cb -0.27 -1.18 -0.08 0.00 0.00 0.00 0.00 36.38 34.85 2ber s VAL 482 CO 0.33 0.39 0.65 -0.83 0.00 0.00 0.00 175.10 175.65 2ber s GLY 483 N 0.76 2.51 -0.03 4.51 0.00 -0.42 -1.30 107.32 113.35 2ber s GLY 483 Ca -0.12 0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.61 2ber s GLY 483 CO 0.02 0.32 0.01 0.00 0.00 0.00 0.00 173.10 173.45 2ber s ALA 484 N -1.56 0.32 -0.18 3.20 0.00 -0.25 -0.66 121.76 122.63 2ber s ALA 484 Ca 0.42 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.55 2ber s ALA 484 Cb -0.15 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.62 2ber s ALA 484 CO 0.20 -0.14 -0.18 0.99 0.00 0.00 0.00 175.76 176.63 2ber s THR 485 N 1.20 1.94 -0.30 0.00 2.01 0.14 -0.84 115.64 119.78 2ber s THR 485 Ca -0.07 -0.91 -0.29 0.00 0.31 0.00 0.00 61.69 60.72 2ber s THR 485 Cb -0.13 -1.79 0.01 0.00 0.01 0.00 0.00 72.50 70.59 2ber s THR 485 CO -0.02 0.47 1.18 -0.22 -0.69 0.00 0.00 174.62 175.34 2ber s LEU 486 N 1.33 3.92 -0.17 4.42 2.96 -0.14 -0.77 118.68 130.22 2ber s LEU 486 Ca 0.04 1.15 -0.03 0.00 -0.22 0.00 0.00 54.13 55.07 2ber s LEU 486 Cb -0.13 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 2ber s LEU 486 CO -0.12 -0.96 -0.06 -0.13 -1.32 0.00 0.00 176.35 173.77 2ber s ARG 487 N 3.86 3.50 0.12 1.98 0.52 -0.30 -1.53 118.95 127.09 2ber s ARG 487 Ca 0.50 -0.60 -0.02 0.00 -0.52 0.00 0.00 55.73 55.10 2ber s ARG 487 Cb -0.14 -2.88 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 2ber s ARG 487 CO 0.19 0.08 0.06 0.95 0.02 0.00 0.00 175.30 176.60 2ber s THR 488 N 0.76 0.12 0.63 0.02 -4.23 -0.54 -1.56 115.64 110.84 2ber s THR 488 Ca -0.03 -1.83 0.37 0.00 -1.18 0.00 0.00 61.69 59.02 2ber s THR 488 Cb -0.15 -1.92 0.40 0.00 1.34 0.00 0.00 72.50 72.17 2ber s THR 488 CO 0.02 -0.55 2.31 0.77 -0.54 0.00 0.00 174.62 176.63 2ber h SER 489 N 2.89 0.00 -0.42 3.99 4.64 -1.99 -2.39 113.55 120.26 2ber h SER 489 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2ber h SER 489 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2ber h SER 489 CO 0.59 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.55 2ber n ALA 490 N -2.20 2.43 0.00 5.18 0.00 -1.26 -5.06 120.51 119.59 2ber n ALA 490 Ca -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.45 2ber n ALA 490 Cb 0.09 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2ber n ALA 490 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ber n GLY 491 N 1.46 1.61 3.37 0.00 0.00 -0.90 -4.23 105.19 106.49 2ber n GLY 491 Ca 0.19 -2.17 -0.22 0.00 0.00 0.00 0.00 46.02 43.82 2ber n GLY 491 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ber s ASN 492 N 0.00 2.93 0.14 1.61 0.01 -0.39 -1.47 114.94 117.77 2ber s ASN 492 Ca 0.00 -0.92 -0.02 0.00 -0.71 0.00 0.00 52.86 51.21 2ber s ASN 492 Cb 0.00 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 2ber s ASN 492 CO 0.00 -0.02 0.09 0.00 -1.51 0.00 0.00 177.10 175.66 2ber s ALA 493 N -2.22 0.74 0.20 0.60 0.00 -0.58 -1.76 121.76 118.75 2ber s ALA 493 Ca 0.20 -1.39 -0.14 0.00 0.00 0.00 0.00 51.96 50.63 2ber s ALA 493 Cb -0.05 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.95 2ber s ALA 493 CO 0.09 -0.51 0.45 -1.54 0.00 0.00 0.00 175.76 174.25 2ber s SER 494 N -3.04 -0.13 0.34 0.00 1.04 -0.39 -0.97 113.70 110.56 2ber s SER 494 Ca 0.23 -0.72 -0.07 0.00 0.48 0.00 0.00 55.95 55.87 2ber s SER 494 Cb 0.07 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.75 2ber s SER 494 CO 0.02 -1.04 0.56 0.28 0.98 0.00 0.00 173.24 174.03 2ber s THR 495 N -3.94 0.00 0.08 2.02 -1.32 -0.02 -4.79 115.64 107.67 2ber s THR 495 Ca 0.15 -1.42 0.02 0.00 -1.21 0.00 0.00 61.69 59.23 2ber s THR 495 Cb 0.00 -2.66 -0.04 0.00 -1.51 0.00 0.00 72.50 68.30 2ber s THR 495 CO 0.02 0.00 -0.07 0.42 -2.21 0.00 0.00 174.62 172.78 2ber s THR 496 N -2.96 0.67 0.16 5.08 -4.23 -1.26 -1.09 115.64 112.01 2ber s THR 496 Ca 0.26 -1.71 -0.09 0.00 -1.18 0.00 0.00 61.69 58.97 2ber s THR 496 Cb -0.02 -1.41 -0.01 0.00 1.34 0.00 0.00 72.50 72.41 2ber s THR 496 CO 0.17 -0.74 0.27 0.72 -0.54 0.00 0.00 174.62 174.49 2ber s PHE 497 N -3.02 0.39 -0.17 3.99 -0.12 -0.42 -4.81 117.98 113.82 2ber s PHE 497 Ca 0.06 -0.76 -0.04 0.00 -0.05 0.00 0.00 56.93 56.14 2ber s PHE 497 Cb 0.01 -0.07 -0.03 0.00 -0.63 0.00 0.00 43.02 42.30 2ber s PHE 497 CO -0.03 -0.69 -0.04 0.99 -0.05 0.00 0.00 175.22 175.40 2ber s THR 498 N -3.96 3.83 -0.32 -4.49 2.01 -1.26 -1.04 115.64 110.40 2ber s THR 498 Ca 0.16 -0.38 -0.14 0.00 0.31 0.00 0.00 61.69 61.65 2ber s THR 498 Cb 0.04 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 2ber s THR 498 CO -0.01 0.48 0.31 -0.69 -0.69 0.00 0.00 174.62 174.02 2ber s VAL 499 N 0.53 5.22 -0.19 3.82 1.01 0.41 -1.51 120.40 129.69 2ber s VAL 499 Ca -0.03 0.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 2ber s VAL 499 Cb -0.14 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 2ber s VAL 499 CO 0.03 0.01 0.26 -0.89 0.00 0.00 0.00 175.10 174.50 2ber s THR 500 N 1.92 5.32 -0.16 3.92 2.01 0.70 -0.98 115.64 128.37 2ber s THR 500 Ca 0.10 0.45 0.01 0.00 0.31 0.00 0.00 61.69 62.56 2ber s THR 500 Cb -0.17 -3.60 0.01 0.00 0.01 0.00 0.00 72.50 68.75 2ber s THR 500 CO 0.11 0.37 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.53 2ber s VAL 501 N 0.70 2.30 -1.57 3.82 1.01 0.10 -0.90 120.40 125.86 2ber s VAL 501 Ca 0.14 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2ber s VAL 501 Cb -0.13 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.30 2ber s VAL 501 CO 0.04 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2ber n GLY 502 N 4.23 1.52 3.36 4.51 0.00 -0.53 -0.92 105.19 117.34 2ber n GLY 502 Ca -0.20 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 2ber n GLY 502 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ber s LEU 503 N -3.37 2.46 0.89 0.99 1.43 -1.26 -2.12 118.68 117.71 2ber s LEU 503 Ca 0.00 -0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 2ber s LEU 503 Cb 0.00 -1.50 0.13 0.00 0.03 0.00 0.00 46.19 44.85 2ber s LEU 503 CO 0.00 0.24 1.13 -0.76 0.23 0.00 0.00 176.35 177.19 2ber s LEU 504 N -0.13 2.79 -0.40 1.79 1.43 0.32 -4.84 118.68 119.65 2ber s LEU 504 Ca -0.03 2.06 -0.29 0.00 -1.03 0.00 0.00 54.13 54.84 2ber s LEU 504 Cb -0.14 -4.49 0.01 0.00 0.03 0.00 0.00 46.19 41.60 2ber s LEU 504 CO 0.04 -2.89 1.32 -0.62 0.23 0.00 0.00 176.35 174.43 2ber s ASP 505 N -2.86 6.49 0.58 2.29 -1.08 -1.26 -4.76 116.67 116.07 2ber s ASP 505 Ca 0.65 0.83 0.27 0.00 -0.52 0.00 0.00 52.55 53.78 2ber s ASP 505 Cb -0.21 -2.54 1.69 0.00 -1.46 0.00 0.00 42.92 40.40 2ber s ASP 505 CO 0.58 -1.30 2.22 1.56 0.52 0.00 0.00 175.17 178.75 2ber h GLN 506 N 9.99 0.00 0.00 4.34 4.20 -1.91 -2.53 115.11 129.20 2ber h GLN 506 Ca -0.26 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 2ber h GLN 506 Cb 1.09 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.87 2ber h GLN 506 CO 1.08 0.00 -0.06 0.00 -0.67 0.00 0.00 178.83 179.18 2ber h ALA 507 N 1.98 1.13 -0.08 3.87 0.00 -1.90 -1.49 119.26 122.76 2ber h ALA 507 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ber h ALA 507 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ber h ALA 507 CO -0.00 0.08 0.00 0.54 0.00 0.00 0.00 179.25 179.87 2ber n ARG 508 N -3.34 2.02 -3.71 0.00 1.74 -0.95 -4.96 116.66 107.46 2ber n ARG 508 Ca -0.01 -1.50 -0.26 0.00 -0.77 0.00 0.00 57.85 55.31 2ber n ARG 508 Cb 0.22 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 2ber n ARG 508 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2ber s MET 509 N -1.91 3.50 0.17 5.56 -1.94 -0.56 -3.10 119.30 121.01 2ber s MET 509 Ca 0.34 -0.40 -0.12 0.00 -1.71 0.00 0.00 55.69 53.79 2ber s MET 509 Cb 0.20 -2.84 0.01 0.00 2.01 0.00 0.00 34.83 34.21 2ber s MET 509 CO 0.31 0.39 0.37 -1.54 -0.01 0.00 0.00 175.02 174.54 2ber s SER 510 N -3.32 -0.08 -0.50 3.03 1.04 -0.56 -4.99 113.70 108.32 2ber s SER 510 Ca 0.38 -0.68 -0.29 0.00 0.48 0.00 0.00 55.95 55.84 2ber s SER 510 Cb -0.11 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.52 2ber s SER 510 CO 0.30 -0.93 1.15 -0.63 0.98 0.00 0.00 173.24 174.10 2ber s ILE 511 N -3.92 4.17 0.02 -1.02 -1.09 -1.26 -0.96 121.20 117.14 2ber s ILE 511 Ca 0.12 1.17 -0.20 0.00 -2.23 0.00 0.00 60.65 59.51 2ber s ILE 511 Cb 0.02 -4.63 -0.19 0.00 -1.58 0.00 0.00 42.46 36.08 2ber s ILE 511 CO -0.03 -1.07 1.20 0.00 -1.23 0.00 0.00 174.94 173.81 2ber h ALA 512 N 9.30 0.15 -2.85 9.38 0.00 -1.33 -3.47 119.26 130.43 2ber h ALA 512 Ca -0.23 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 2ber h ALA 512 Cb 1.06 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.71 2ber h ALA 512 CO 1.14 0.23 0.04 0.16 0.00 0.00 0.00 179.25 180.81 2ber s ASP 513 N -6.44 -0.36 -0.10 0.00 1.47 -1.18 -5.00 116.67 105.05 2ber s ASP 513 Ca -0.14 -0.19 -0.16 0.00 1.18 0.00 0.00 52.55 53.24 2ber s ASP 513 Cb 0.04 0.52 0.04 0.00 -0.34 0.00 0.00 42.92 43.18 2ber s ASP 513 CO 0.78 -0.90 0.40 0.54 0.68 0.00 0.00 175.17 176.68 2ber s VAL 514 N -3.78 0.02 0.22 2.11 0.11 -1.26 -0.69 120.40 117.13 2ber s VAL 514 Ca 0.02 -0.15 0.13 0.00 -2.93 0.00 0.00 61.98 59.06 2ber s VAL 514 Cb 0.01 -0.62 0.03 0.00 -1.53 0.00 0.00 36.38 34.26 2ber s VAL 514 CO -0.12 -0.08 1.64 -2.24 -3.33 0.00 0.00 175.10 170.97 2ber h ASP 515 N 4.79 0.00 -3.19 3.54 2.03 -1.58 -3.47 116.42 118.54 2ber h ASP 515 Ca -0.28 0.00 0.07 0.00 -0.73 0.00 0.00 57.03 56.10 2ber h ASP 515 Cb 1.18 0.00 -0.27 0.00 -0.83 0.00 0.00 39.33 39.41 2ber h ASP 515 CO 0.30 0.54 0.50 -0.55 -1.03 0.00 0.00 179.24 179.00 2ber s SER 516 N -6.69 -0.41 -0.03 4.15 0.15 -1.26 -5.01 113.70 104.61 2ber s SER 516 Ca -0.01 0.76 -0.08 0.00 0.70 0.00 0.00 55.95 57.32 2ber s SER 516 Cb 0.12 0.76 0.01 0.00 -1.71 0.00 0.00 66.02 65.20 2ber s SER 516 CO 0.74 -0.16 0.18 -1.83 1.20 0.00 0.00 173.24 173.37 2ber s GLU 517 N 0.08 0.41 -0.19 5.44 -1.05 -1.26 -4.32 118.70 117.81 2ber s GLU 517 Ca 0.03 -0.10 -0.19 0.00 -0.15 0.00 0.00 54.97 54.56 2ber s GLU 517 Cb -0.05 0.18 -0.03 0.00 -0.44 0.00 0.00 34.13 33.79 2ber s GLU 517 CO -0.06 -0.09 0.54 -2.00 0.95 0.00 0.00 175.26 174.60 2ber s GLU 518 N -0.78 4.21 0.00 -4.83 2.56 0.20 -4.01 118.70 116.05 2ber s GLU 518 Ca -0.09 0.47 0.00 0.00 0.00 0.00 0.00 54.97 55.35 2ber s GLU 518 Cb -0.05 -3.55 0.00 0.00 2.00 0.00 0.00 34.13 32.53 2ber s GLU 518 CO 0.01 -0.14 0.09 0.25 -0.56 0.00 0.00 175.26 174.91 2ber n THR 519 N 4.51 0.00 -0.01 -1.70 -2.24 -1.24 -0.50 114.28 113.10 2ber n THR 519 Ca -0.04 -0.23 -0.17 0.00 -2.27 0.00 0.00 64.05 61.34 2ber n THR 519 Cb 0.50 1.22 -0.14 0.00 -2.10 0.00 0.00 70.33 69.81 2ber n THR 519 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ber h ALA 520 N 0.00 -0.04 0.00 6.98 0.00 -2.01 -3.38 119.26 120.80 2ber h ALA 520 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2ber h ALA 520 Cb 0.11 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2ber h ALA 520 CO 0.00 0.18 -1.12 0.54 0.00 0.00 0.00 179.25 178.85 2ber n ARG 521 N -4.38 1.18 -3.64 0.00 5.12 -1.26 -5.01 116.66 108.68 2ber n ARG 521 Ca -0.12 -0.05 -0.07 0.00 -1.93 0.00 0.00 57.85 55.68 2ber n ARG 521 Cb 0.64 -1.32 -0.02 0.00 -1.16 0.00 0.00 32.46 30.60 2ber n ARG 521 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2ber s GLU 522 N -2.77 1.24 -1.19 5.56 -1.05 -1.26 -5.09 118.70 114.14 2ber s GLU 522 Ca 0.02 -0.59 -0.17 0.00 -0.15 0.00 0.00 54.97 54.08 2ber s GLU 522 Cb 0.12 0.48 0.12 0.00 -0.44 0.00 0.00 34.13 34.41 2ber s GLU 522 CO 0.69 -0.56 1.52 0.34 0.95 0.00 0.00 175.26 178.20 2ber s ASP 523 N -2.77 6.87 -0.39 0.83 2.15 -1.26 -3.60 116.67 118.50 2ber s ASP 523 Ca 0.08 -2.52 0.06 0.00 0.43 0.00 0.00 52.55 50.60 2ber s ASP 523 Cb -0.02 -2.49 0.61 0.00 -0.30 0.00 0.00 42.92 40.73 2ber s ASP 523 CO -0.03 -1.02 1.75 0.61 -0.17 0.00 0.00 175.17 176.31 2ber n GLY 524 N 5.05 4.62 3.61 2.66 0.00 0.35 -4.60 105.19 116.88 2ber n GLY 524 Ca 0.40 -1.14 -0.48 0.00 0.00 0.00 0.00 46.02 44.79 2ber n GLY 524 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ber n ARG 525 N -1.11 1.41 -0.32 1.61 1.74 -1.25 -1.71 116.66 117.03 2ber n ARG 525 Ca 0.50 0.50 0.17 0.00 -0.77 0.00 0.00 57.85 58.26 2ber n ARG 525 Cb 1.44 -2.08 0.42 0.00 -1.02 0.00 0.00 32.46 31.22 2ber n ARG 525 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ber h ALA 526 N 3.97 1.95 0.00 7.54 0.00 -1.90 -1.48 119.26 129.34 2ber h ALA 526 Ca -0.45 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2ber h ALA 526 Cb 1.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2ber h ALA 526 CO 0.74 -0.33 0.00 0.66 0.00 0.00 0.00 179.25 180.33 2ber h SER 527 N 0.57 0.00 0.03 0.00 4.64 -1.95 -2.33 113.55 114.51 2ber h SER 527 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 2ber h SER 527 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2ber h SER 527 CO -0.32 0.00 0.00 0.78 -0.87 0.00 0.00 176.83 176.42 2ber h ASN 528 N 0.00 0.00 0.96 4.97 2.35 -1.56 -2.54 115.58 119.77 2ber h ASN 528 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2ber h ASN 528 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2ber h ASN 528 CO 0.00 0.00 0.00 -0.37 -1.65 0.00 0.00 177.43 175.41 2ber h VAL 529 N 0.00 0.00 0.00 2.81 -1.51 -1.58 -3.28 116.25 112.69 2ber h VAL 529 Ca 0.00 -0.42 -0.01 0.00 -1.23 0.00 0.00 66.70 65.04 2ber h VAL 529 Cb 0.02 1.32 -0.02 0.00 -2.13 0.00 0.00 31.29 30.48 2ber h VAL 529 CO 0.00 0.00 -0.34 2.30 -1.23 0.00 0.00 177.57 178.30 2ber n ILE 530 N -2.75 1.93 0.25 7.19 -5.35 -0.95 -0.96 119.36 118.72 2ber n ILE 530 Ca 0.01 -2.70 0.11 0.00 -0.27 0.00 0.00 62.75 59.91 2ber n ILE 530 Cb 0.29 -0.16 0.27 0.00 -1.74 0.00 0.00 39.64 38.29 2ber n ILE 530 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2ber n ASP 531 N -1.13 3.27 -0.38 7.28 5.75 -1.24 -4.82 116.55 125.28 2ber n ASP 531 Ca 0.17 -1.97 -0.05 0.00 -0.01 0.00 0.00 54.79 52.93 2ber n ASP 531 Cb 0.69 -0.32 -0.02 0.00 -1.03 0.00 0.00 41.12 40.45 2ber n ASP 531 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ber n GLY 532 N 1.48 0.54 3.25 6.12 0.00 -1.26 -4.98 105.19 110.34 2ber n GLY 532 Ca 0.20 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2ber n GLY 532 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ber s ASN 533 N -2.22 4.45 0.00 1.61 3.84 -1.26 -4.99 114.94 116.37 2ber s ASN 533 Ca 0.00 -0.73 0.20 0.00 0.21 0.00 0.00 52.86 52.54 2ber s ASN 533 Cb 0.00 -1.72 0.91 0.00 -0.55 0.00 0.00 41.25 39.89 2ber s ASN 533 CO 0.00 -0.12 1.63 -0.81 -2.79 0.00 0.00 177.10 175.02 2ber n PRO 534 N 4.74 0.11 0.00 0.43 -0.04 -1.26 -3.06 135.00 135.92 2ber n PRO 534 Ca -0.17 0.13 0.13 0.00 -0.04 0.00 0.00 63.50 63.56 2ber n PRO 534 Cb 0.48 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.91 2ber n PRO 534 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ber n SER 535 N -1.42 0.56 -4.44 3.54 7.64 -1.26 -4.42 113.62 113.83 2ber n SER 535 Ca 0.07 -0.44 -0.29 0.00 1.01 0.00 0.00 58.87 59.21 2ber n SER 535 Cb 0.20 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.29 2ber n SER 535 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2ber s THR 536 N -2.67 2.52 0.01 0.44 -4.23 -1.17 -5.02 115.64 105.52 2ber s THR 536 Ca 0.22 -1.66 -0.07 0.00 -1.18 0.00 0.00 61.69 59.00 2ber s THR 536 Cb 0.19 -2.14 -0.00 0.00 1.34 0.00 0.00 72.50 71.89 2ber s THR 536 CO 0.55 0.08 0.13 0.72 -0.54 0.00 0.00 174.62 175.56 2ber s PHE 537 N -1.13 0.06 0.11 3.99 -0.12 -1.26 -4.37 117.98 115.26 2ber s PHE 537 Ca 0.16 -0.17 -0.31 0.00 -0.05 0.00 0.00 56.93 56.56 2ber s PHE 537 Cb -0.10 -0.06 -0.07 0.00 -0.63 0.00 0.00 43.02 42.16 2ber s PHE 537 CO 0.08 -0.29 1.31 -0.46 -0.05 0.00 0.00 175.22 175.82 2ber s TRP 538 N -1.44 3.31 -0.04 3.49 -0.00 -0.13 -3.99 118.94 120.14 2ber s TRP 538 Ca -0.15 1.11 0.05 0.00 -0.00 0.00 0.00 56.10 57.11 2ber s TRP 538 Cb -0.08 -3.58 -0.01 0.00 -0.00 0.00 0.00 33.47 29.80 2ber s TRP 538 CO 0.01 -1.94 -0.19 -1.58 -0.00 0.00 0.00 176.95 173.24 2ber s HIS 539 N 0.91 1.85 0.74 5.86 5.65 -0.70 -1.98 115.29 127.63 2ber s HIS 539 Ca 0.61 -0.48 -0.12 0.00 0.25 0.00 0.00 55.06 55.33 2ber s HIS 539 Cb -0.34 -1.22 0.04 0.00 -1.18 0.00 0.00 32.58 29.87 2ber s HIS 539 CO 0.31 -0.13 1.09 0.95 -0.65 0.00 0.00 174.74 176.31 2ber s THR 540 N -0.15 3.34 0.20 0.89 -4.23 -0.37 -0.63 115.64 114.68 2ber s THR 540 Ca -0.00 0.48 -0.32 0.00 -1.18 0.00 0.00 61.69 60.67 2ber s THR 540 Cb -0.11 -2.98 -0.13 0.00 1.34 0.00 0.00 72.50 70.62 2ber s THR 540 CO 0.01 -0.52 1.64 1.21 -0.54 0.00 0.00 174.62 176.42 2ber n GLU 541 N -3.21 2.50 0.00 3.99 2.13 -1.26 -3.97 120.64 120.83 2ber n GLU 541 Ca 0.09 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.81 2ber n GLU 541 Cb 0.53 -2.70 0.00 0.00 0.27 0.00 0.00 31.44 29.54 2ber n GLU 541 CO 0.00 0.00 0.00 -2.67 -0.41 0.00 0.00 177.13 174.05 2ber n TRP 542 N 3.44 0.00 1.81 4.31 4.27 -1.26 -4.72 117.44 125.29 2ber n TRP 542 Ca 0.15 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.91 2ber n TRP 542 Cb 0.33 0.00 0.76 0.00 -1.36 0.00 0.00 31.31 31.04 2ber n TRP 542 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 2ber n SER 543 N -1.32 0.55 -4.34 -0.67 3.41 -1.26 -4.61 113.62 105.39 2ber n SER 543 Ca 0.00 -1.22 -0.30 0.00 -0.26 0.00 0.00 58.87 57.09 2ber n SER 543 Cb 0.01 -0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.81 2ber n SER 543 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2ber s ARG 544 N -1.99 1.88 0.45 4.33 0.52 -1.26 -5.04 118.95 117.84 2ber s ARG 544 Ca 0.43 -1.07 0.22 0.00 -0.52 0.00 0.00 55.73 54.79 2ber s ARG 544 Cb 0.21 -1.99 1.09 0.00 0.52 0.00 0.00 34.95 34.77 2ber s ARG 544 CO 0.34 0.52 1.93 0.00 0.02 0.00 0.00 175.30 178.12 2ber h ALA 545 N 4.96 1.25 -0.23 2.13 0.00 -1.98 -2.40 119.26 122.99 2ber h ALA 545 Ca -0.46 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2ber h ALA 545 Cb 1.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2ber h ALA 545 CO 0.44 0.28 0.00 -0.40 0.00 0.00 0.00 179.25 179.58 2ber n ASP 546 N -3.72 1.38 -4.76 0.00 5.75 -1.26 -4.91 116.55 109.02 2ber n ASP 546 Ca -0.01 -1.90 -0.36 0.00 -0.01 0.00 0.00 54.79 52.51 2ber n ASP 546 Cb 0.34 -0.15 0.03 0.00 -1.03 0.00 0.00 41.12 40.31 2ber n ASP 546 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ber s ALA 547 N -1.70 2.54 0.62 2.12 0.00 -0.91 -4.97 121.76 119.46 2ber s ALA 547 Ca 0.22 0.97 -0.17 0.00 0.00 0.00 0.00 51.96 52.97 2ber s ALA 547 Cb 0.11 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 2ber s ALA 547 CO 0.16 -1.15 1.12 -1.25 0.00 0.00 0.00 175.76 174.64 2ber s PRO 548 N -3.38 2.99 0.00 0.00 0.04 -1.26 -5.08 135.00 128.30 2ber s PRO 548 Ca 0.76 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.30 2ber s PRO 548 Cb -0.29 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2ber s PRO 548 CO 0.33 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.66 2ber n GLY 549 N -0.22 2.47 3.79 0.56 0.00 -1.26 -4.88 105.19 105.65 2ber n GLY 549 Ca 0.11 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.72 2ber n GLY 549 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ber s TYR 550 N 1.54 2.88 0.53 1.61 2.02 -1.25 -4.50 117.35 120.17 2ber s TYR 550 Ca 0.00 1.54 -0.17 0.00 -0.37 0.00 0.00 57.07 58.07 2ber s TYR 550 Cb 0.00 -3.10 -0.07 0.00 -0.40 0.00 0.00 41.96 38.39 2ber s TYR 550 CO 0.00 -1.21 1.02 -1.25 -1.57 0.00 0.00 175.55 172.54 2ber s PRO 551 N -3.71 3.74 0.44 -1.71 0.04 -1.26 -5.07 135.00 127.47 2ber s PRO 551 Ca 0.67 1.13 0.07 0.00 0.04 0.00 0.00 61.00 62.90 2ber s PRO 551 Cb -0.18 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 2ber s PRO 551 CO 0.31 -0.46 0.26 -1.01 0.04 0.00 0.00 177.00 176.15 2ber s HIS 552 N -2.40 2.41 -0.27 0.56 3.76 0.36 -4.98 115.29 114.72 2ber s HIS 552 Ca 0.62 -0.63 -0.21 0.00 -0.15 0.00 0.00 55.06 54.69 2ber s HIS 552 Cb -0.13 -1.99 0.07 0.00 1.11 0.00 0.00 32.58 31.65 2ber s HIS 552 CO 0.29 -0.01 0.70 0.50 -0.85 0.00 0.00 174.74 175.37 2ber s ARG 553 N -4.03 0.77 -0.03 1.40 3.52 -1.26 -0.33 118.95 118.99 2ber s ARG 553 Ca 0.40 1.08 0.00 0.00 -0.13 0.00 0.00 55.73 57.08 2ber s ARG 553 Cb 0.01 0.29 0.03 0.00 -1.56 0.00 0.00 34.95 33.72 2ber s ARG 553 CO 0.23 -0.12 -0.01 -1.50 -0.81 0.00 0.00 175.30 173.09 2ber s ILE 554 N 0.89 0.23 -0.02 4.11 2.07 -0.66 -1.28 121.20 126.54 2ber s ILE 554 Ca -0.04 0.06 0.06 0.00 -1.41 0.00 0.00 60.65 59.31 2ber s ILE 554 Cb -0.05 -0.31 -0.01 0.00 0.13 0.00 0.00 42.46 42.21 2ber s ILE 554 CO -0.08 0.16 -0.19 -0.44 -1.91 0.00 0.00 174.94 172.48 2ber s SER 555 N 1.00 2.28 -0.07 4.50 0.01 0.13 -1.25 113.70 120.30 2ber s SER 555 Ca -0.10 -0.35 0.03 0.00 1.31 0.00 0.00 55.95 56.83 2ber s SER 555 Cb -0.14 -0.28 -0.02 0.00 0.21 0.00 0.00 66.02 65.80 2ber s SER 555 CO -0.01 0.23 -0.14 -0.76 0.41 0.00 0.00 173.24 172.97 2ber s LEU 556 N -0.43 2.70 -0.27 2.44 1.43 0.94 -0.92 118.68 124.58 2ber s LEU 556 Ca 0.07 -0.25 -0.18 0.00 -1.03 0.00 0.00 54.13 52.74 2ber s LEU 556 Cb -0.08 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 2ber s LEU 556 CO -0.01 0.29 0.54 -0.62 0.23 0.00 0.00 176.35 176.79 2ber s ASP 557 N -0.41 6.46 0.00 2.29 -1.08 -0.13 -1.59 116.67 122.20 2ber s ASP 557 Ca 0.05 0.52 0.29 0.00 -0.52 0.00 0.00 52.55 52.89 2ber s ASP 557 Cb -0.12 -2.29 1.32 0.00 -1.46 0.00 0.00 42.92 40.36 2ber s ASP 557 CO 0.02 -0.32 1.95 0.18 0.52 0.00 0.00 175.17 177.52 2ber n LEU 558 N 5.60 0.00 0.00 -1.34 4.77 0.08 -1.50 117.00 124.62 2ber n LEU 558 Ca -0.03 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 2ber n LEU 558 Cb 0.49 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2ber n LEU 558 CO 0.41 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2ber n GLY 559 N 1.35 0.76 0.00 -0.72 0.00 -1.18 -4.35 105.19 101.05 2ber n GLY 559 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2ber n GLY 559 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ber n GLY 560 N -2.00 1.04 3.72 -0.02 0.00 -1.26 -5.07 105.19 101.60 2ber n GLY 560 Ca 0.00 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 2ber n GLY 560 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ber s THR 561 N -2.00 5.02 0.03 2.61 2.01 -1.26 -4.27 115.64 117.78 2ber s THR 561 Ca 0.00 1.39 0.01 0.00 0.31 0.00 0.00 61.69 63.40 2ber s THR 561 Cb 0.00 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 2ber s THR 561 CO 0.00 0.29 -0.05 -1.00 -0.69 0.00 0.00 174.62 173.16 2ber s HIS 562 N 0.61 0.46 -0.15 4.92 3.76 -0.16 -4.91 115.29 119.80 2ber s HIS 562 Ca 0.36 -0.53 -0.29 0.00 -0.15 0.00 0.00 55.06 54.44 2ber s HIS 562 Cb -0.18 -0.29 -0.02 0.00 1.11 0.00 0.00 32.58 33.20 2ber s HIS 562 CO 0.18 -0.14 1.30 0.99 -0.85 0.00 0.00 174.74 176.21 2ber s THR 563 N -1.49 4.21 0.10 1.30 2.01 -1.26 -1.19 115.64 119.33 2ber s THR 563 Ca -0.13 1.47 0.07 0.00 0.31 0.00 0.00 61.69 63.41 2ber s THR 563 Cb -0.10 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 2ber s THR 563 CO -0.01 -0.13 -0.16 0.27 -0.69 0.00 0.00 174.62 173.90 2ber s ILE 564 N 3.53 1.41 0.00 1.82 -4.36 -0.04 -0.82 121.20 122.75 2ber s ILE 564 Ca 0.57 -1.55 0.00 0.00 -0.26 0.00 0.00 60.65 59.41 2ber s ILE 564 Cb -0.23 -1.41 0.00 0.00 1.25 0.00 0.00 42.46 42.07 2ber s ILE 564 CO 0.16 -0.24 0.58 -1.54 0.24 0.00 0.00 174.94 174.14 2ber n SER 565 N 0.92 0.00 -3.60 4.36 3.41 0.32 -0.95 113.62 118.08 2ber n SER 565 Ca -0.18 -1.30 -0.05 0.00 -0.26 0.00 0.00 58.87 57.08 2ber n SER 565 Cb 0.55 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 2ber n SER 565 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ber s GLY 566 N -0.30 -0.25 -0.07 5.00 0.00 -1.14 -1.29 107.32 109.27 2ber s GLY 566 Ca 0.00 1.78 0.02 0.00 0.00 0.00 0.00 44.72 46.52 2ber s GLY 566 CO 0.00 0.64 -0.13 -2.27 0.00 0.00 0.00 173.10 171.34 2ber s LEU 567 N -1.95 1.65 -0.22 0.66 2.96 0.08 -0.78 118.68 121.08 2ber s LEU 567 Ca 0.08 -0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 53.60 2ber s LEU 567 Cb -0.01 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.78 2ber s LEU 567 CO -0.05 0.03 0.09 -1.10 -1.32 0.00 0.00 176.35 174.00 2ber s GLN 568 N 0.71 3.89 -0.12 1.98 -0.21 0.11 -0.92 119.66 125.10 2ber s GLN 568 Ca -0.14 -0.37 -0.02 0.00 0.02 0.00 0.00 55.36 54.85 2ber s GLN 568 Cb -0.16 -3.33 -0.03 0.00 1.00 0.00 0.00 33.01 30.50 2ber s GLN 568 CO 0.03 0.07 -0.03 -0.47 -2.12 0.00 0.00 175.29 172.77 2ber s TYR 569 N 0.94 3.05 -0.12 0.91 5.04 -0.30 -1.57 117.35 125.29 2ber s TYR 569 Ca 0.05 -0.10 0.02 0.00 -2.44 0.00 0.00 57.07 54.59 2ber s TYR 569 Cb -0.14 -1.87 0.01 0.00 0.35 0.00 0.00 41.96 40.32 2ber s TYR 569 CO 0.03 0.17 -0.18 0.99 -1.34 0.00 0.00 175.55 175.22 2ber s THR 570 N -0.17 1.70 0.77 4.34 2.01 -0.33 -0.62 115.64 123.34 2ber s THR 570 Ca 0.04 -0.76 -0.12 0.00 0.31 0.00 0.00 61.69 61.15 2ber s THR 570 Cb -0.13 -1.53 0.06 0.00 0.01 0.00 0.00 72.50 70.91 2ber s THR 570 CO 0.02 0.48 1.13 0.00 -0.69 0.00 0.00 174.62 175.57 2ber s ARG 571 N 0.96 2.06 0.10 4.92 1.70 -1.26 -0.77 118.95 126.65 2ber s ARG 571 Ca -0.06 1.43 -0.36 0.00 -0.47 0.00 0.00 55.73 56.28 2ber s ARG 571 Cb -0.15 -1.86 -0.16 0.00 -0.57 0.00 0.00 34.95 32.22 2ber s ARG 571 CO -0.02 -1.83 1.43 -2.13 -1.08 0.00 0.00 175.30 171.67 2ber n ARG 572 N -3.27 1.50 0.07 3.89 0.63 -1.26 -4.18 116.66 114.03 2ber n ARG 572 Ca 0.11 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.58 2ber n ARG 572 Cb 0.52 -2.23 -0.05 0.00 0.45 0.00 0.00 32.46 31.15 2ber n ARG 572 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2ber h GLN 573 N 5.12 0.00 -0.23 -0.14 1.08 -1.94 -3.38 115.11 115.63 2ber h GLN 573 Ca -0.47 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.70 2ber h GLN 573 Cb 1.31 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.72 2ber h GLN 573 CO 0.82 0.40 -0.01 0.27 -0.95 0.00 0.00 178.83 179.36 2ber n ASN 574 N -3.03 3.40 -3.61 1.46 6.94 -1.26 -4.95 115.26 114.20 2ber n ASN 574 Ca -0.05 -3.15 -0.16 0.00 -0.02 0.00 0.00 54.58 51.20 2ber n ASN 574 Cb 0.81 -0.54 -0.07 0.00 -2.36 0.00 0.00 39.78 37.62 2ber n ASN 574 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 2ber s SER 575 N -2.20 -0.64 0.00 0.53 0.15 -1.26 -5.07 113.70 105.22 2ber s SER 575 Ca 0.41 0.98 0.13 0.00 0.70 0.00 0.00 55.95 58.16 2ber s SER 575 Cb 0.34 0.93 -0.09 0.00 -1.71 0.00 0.00 66.02 65.49 2ber s SER 575 CO 0.06 -0.40 0.62 0.00 1.20 0.00 0.00 173.24 174.72 2ber n ALA 576 N 1.86 3.46 0.06 5.45 0.00 -1.26 -4.69 120.51 125.38 2ber n ALA 576 Ca -0.17 -0.41 0.09 0.00 0.00 0.00 0.00 53.44 52.96 2ber n ALA 576 Cb 0.56 -0.47 0.27 0.00 0.00 0.00 0.00 19.45 19.81 2ber n ALA 576 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ber n ASN 577 N -0.92 3.30 -2.22 0.00 3.02 -1.26 -4.06 115.26 113.12 2ber n ASN 577 Ca 0.03 -2.06 -0.04 0.00 -0.03 0.00 0.00 54.58 52.49 2ber n ASN 577 Cb 0.23 -0.42 0.05 0.00 -0.61 0.00 0.00 39.78 39.03 2ber n ASN 577 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2ber n GLU 578 N 1.18 1.75 -3.03 3.52 4.71 -1.26 -4.64 120.64 122.87 2ber n GLU 578 Ca 0.20 -3.32 -0.41 0.00 -0.01 0.00 0.00 57.16 53.62 2ber n GLU 578 Cb 0.54 -1.42 -0.05 0.00 -1.01 0.00 0.00 31.44 29.50 2ber n GLU 578 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 2ber s GLN 579 N -2.95 4.25 0.32 3.49 -0.21 -1.26 -0.79 119.66 122.52 2ber s GLN 579 Ca 0.34 0.77 -0.29 0.00 0.02 0.00 0.00 55.36 56.20 2ber s GLN 579 Cb 0.36 -3.57 -0.12 0.00 1.00 0.00 0.00 33.01 30.68 2ber s GLN 579 CO -0.05 -0.26 1.54 0.28 -2.12 0.00 0.00 175.29 174.68 2ber n VAL 580 N 4.67 1.41 0.00 1.09 0.31 -1.26 -0.76 118.33 123.78 2ber n VAL 580 Ca 0.01 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 2ber n VAL 580 Cb 0.49 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 2ber n VAL 580 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ber n ALA 581 N 1.45 0.24 -1.89 3.52 0.00 -0.36 -4.50 120.51 118.98 2ber n ALA 581 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.09 2ber n ALA 581 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 2ber n ALA 581 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ber s ASP 582 N 0.73 6.95 0.05 0.00 1.01 -1.25 -0.85 116.67 123.31 2ber s ASP 582 Ca 0.00 2.45 -0.04 0.00 0.71 0.00 0.00 52.55 55.67 2ber s ASP 582 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 2ber s ASP 582 CO 0.00 -0.44 0.06 -0.72 0.21 0.00 0.00 175.17 174.28 2ber s TYR 583 N -0.52 0.31 0.04 4.23 -0.85 -0.24 -0.49 117.35 119.83 2ber s TYR 583 Ca 0.52 -0.71 0.05 0.00 -0.52 0.00 0.00 57.07 56.40 2ber s TYR 583 Cb -0.36 -0.22 -0.02 0.00 0.38 0.00 0.00 41.96 41.74 2ber s TYR 583 CO 0.43 -0.38 -0.13 -1.21 -1.52 0.00 0.00 175.55 172.73 2ber s GLU 584 N -3.16 0.87 -0.11 -3.49 2.02 -0.82 -2.38 118.70 111.62 2ber s GLU 584 Ca -0.00 -0.75 -0.00 0.00 0.02 0.00 0.00 54.97 54.23 2ber s GLU 584 Cb 0.02 -0.86 -0.02 0.00 0.10 0.00 0.00 34.13 33.37 2ber s GLU 584 CO -0.07 0.21 -0.09 0.42 0.02 0.00 0.00 175.26 175.75 2ber s ILE 585 N -0.89 3.44 0.18 -1.63 1.01 -0.28 -1.17 121.20 121.86 2ber s ILE 585 Ca 0.00 -0.54 0.09 0.00 0.00 0.00 0.00 60.65 60.20 2ber s ILE 585 Cb -0.08 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 2ber s ILE 585 CO 0.01 0.54 -0.18 -0.31 0.00 0.00 0.00 174.94 175.00 2ber s TYR 586 N -0.04 1.84 0.17 3.97 2.02 -0.23 -0.45 117.35 124.62 2ber s TYR 586 Ca -0.01 -0.47 0.04 0.00 -0.37 0.00 0.00 57.07 56.25 2ber s TYR 586 Cb -0.14 -0.90 -0.05 0.00 -0.40 0.00 0.00 41.96 40.47 2ber s TYR 586 CO 0.03 0.35 -0.05 0.95 -1.57 0.00 0.00 175.55 175.26 2ber s THR 587 N -2.17 1.03 -0.14 -0.71 -4.23 -0.66 -1.01 115.64 107.75 2ber s THR 587 Ca 0.17 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 58.58 2ber s THR 587 Cb -0.05 -2.03 0.05 0.00 1.34 0.00 0.00 72.50 71.81 2ber s THR 587 CO 0.07 -0.58 0.32 -0.55 -0.54 0.00 0.00 174.62 173.34 2ber s SER 588 N -3.20 -0.36 0.19 3.99 0.15 -0.67 0.32 113.70 114.12 2ber s SER 588 Ca 0.21 0.70 0.04 0.00 0.70 0.00 0.00 55.95 57.60 2ber s SER 588 Cb 0.04 0.59 0.06 0.00 -1.71 0.00 0.00 66.02 65.01 2ber s SER 588 CO 0.03 -0.18 1.43 -0.07 1.20 0.00 0.00 173.24 175.65 2ber h LEU 589 N 7.21 0.21 -0.60 3.45 3.38 -1.84 -1.30 115.31 125.82 2ber h LEU 589 Ca -0.38 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2ber h LEU 589 Cb 1.17 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2ber h LEU 589 CO 0.33 0.93 0.00 -0.46 0.09 0.00 0.00 178.44 179.33 2ber n ASN 590 N -3.69 0.60 0.00 -0.43 0.23 -1.26 -4.49 115.26 106.22 2ber n ASN 590 Ca -0.03 -0.84 0.00 0.00 -0.53 0.00 0.00 54.58 53.18 2ber n ASN 590 Cb 0.76 0.22 0.00 0.00 -2.08 0.00 0.00 39.78 38.69 2ber n ASN 590 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ber n GLY 591 N 0.22 2.66 0.02 4.83 0.00 -1.26 -4.79 105.19 106.88 2ber n GLY 591 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2ber n GLY 591 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ber n THR 592 N -1.83 0.33 -3.54 2.61 -2.24 -1.26 -4.97 114.28 103.37 2ber n THR 592 Ca 0.00 -0.19 -0.38 0.00 -2.27 0.00 0.00 64.05 61.21 2ber n THR 592 Cb 0.00 -0.85 -0.10 0.00 -2.10 0.00 0.00 70.33 67.27 2ber n THR 592 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2ber s THR 593 N -2.12 5.28 -0.16 4.28 -1.32 -1.26 -5.06 115.64 115.28 2ber s THR 593 Ca -0.03 0.29 -0.06 0.00 -1.21 0.00 0.00 61.69 60.68 2ber s THR 593 Cb 0.01 -3.58 -0.04 0.00 -1.51 0.00 0.00 72.50 67.39 2ber s THR 593 CO 0.19 0.23 0.02 0.26 -2.21 0.00 0.00 174.62 173.11 2ber s TRP 594 N 1.78 3.17 -0.15 9.09 0.52 -1.26 -4.44 118.94 127.66 2ber s TRP 594 Ca 0.09 -0.04 -0.07 0.00 0.02 0.00 0.00 56.10 56.10 2ber s TRP 594 Cb -0.16 -2.01 -0.04 0.00 -1.15 0.00 0.00 33.47 30.11 2ber s TRP 594 CO 0.10 0.12 0.10 -0.51 0.02 0.00 0.00 176.95 176.79 2ber s ASP 595 N 0.23 6.02 0.00 2.95 1.01 0.15 -4.94 116.67 122.09 2ber s ASP 595 Ca 0.01 0.28 0.00 0.00 0.71 0.00 0.00 52.55 53.56 2ber s ASP 595 Cb -0.13 -1.97 0.00 0.00 1.01 0.00 0.00 42.92 41.83 2ber s ASP 595 CO 0.01 0.30 0.00 0.61 0.21 0.00 0.00 175.17 176.30 2ber n GLY 596 N 2.71 0.41 3.72 0.21 0.00 -1.26 -1.65 105.19 109.32 2ber n GLY 596 Ca -0.18 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 2ber n GLY 596 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ber n PRO 597 N 0.00 2.51 0.10 1.61 -0.02 -1.26 -5.07 135.00 132.87 2ber n PRO 597 Ca 0.00 0.89 0.12 0.00 -2.02 0.00 0.00 63.50 62.49 2ber n PRO 597 Cb 0.00 -2.65 0.12 0.00 -0.02 0.00 0.00 33.50 30.95 2ber n PRO 597 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2ber h VAL 598 N 3.31 0.00 -2.55 -1.45 -1.51 -0.98 -3.47 116.25 109.60 2ber h VAL 598 Ca -0.46 -0.76 -0.09 0.00 -1.23 0.00 0.00 66.70 64.17 2ber h VAL 598 Cb 1.24 1.38 -0.19 0.00 -2.13 0.00 0.00 31.29 31.59 2ber h VAL 598 CO 0.80 0.00 -0.04 0.00 -1.23 0.00 0.00 177.57 177.10 2ber s ALA 599 N -3.25 -1.27 0.16 5.19 0.00 -1.24 -4.75 121.76 116.60 2ber s ALA 599 Ca 0.04 0.79 -0.14 0.00 0.00 0.00 0.00 51.96 52.64 2ber s ALA 599 Cb 0.11 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.32 2ber s ALA 599 CO 0.74 -0.34 0.41 -1.54 0.00 0.00 0.00 175.76 175.03 2ber s SER 600 N -1.35 -0.15 0.00 0.00 1.04 -1.26 -1.12 113.70 110.86 2ber s SER 600 Ca -0.11 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.76 2ber s SER 600 Cb -0.02 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2ber s SER 600 CO 0.06 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.95 2ber n GLY 601 N -0.26 -0.84 2.79 7.32 0.00 -1.00 -5.02 105.19 108.18 2ber n GLY 601 Ca -0.11 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.61 2ber n GLY 601 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ber s ARG 602 N -1.49 0.88 0.88 1.61 3.52 -1.26 -1.07 118.95 122.01 2ber s ARG 602 Ca 0.00 -0.32 -0.11 0.00 -0.13 0.00 0.00 55.73 55.17 2ber s ARG 602 Cb 0.00 -1.80 0.12 0.00 -1.56 0.00 0.00 34.95 31.71 2ber s ARG 602 CO 0.00 -0.50 1.10 -0.06 -0.81 0.00 0.00 175.30 175.04 2ber s PHE 603 N 1.82 2.12 0.26 5.12 0.08 -0.03 -4.94 117.98 122.40 2ber s PHE 603 Ca 0.01 1.54 0.04 0.00 0.12 0.00 0.00 56.93 58.64 2ber s PHE 603 Cb -0.15 -3.17 0.04 0.00 -0.57 0.00 0.00 43.02 39.16 2ber s PHE 603 CO -0.07 -2.41 0.31 0.25 -0.10 0.00 0.00 175.22 173.20 2ber n THR 604 N -3.94 0.00 0.49 0.64 -2.24 -1.26 -4.69 114.28 103.28 2ber n THR 604 Ca 0.09 -0.91 0.08 0.00 -2.27 0.00 0.00 64.05 61.04 2ber n THR 604 Cb 0.53 -0.64 0.23 0.00 -2.10 0.00 0.00 70.33 68.35 2ber n THR 604 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2ber n THR 605 N -1.43 0.62 -1.69 4.28 -2.24 -1.26 -4.94 114.28 107.62 2ber n THR 605 Ca 0.05 -0.64 -0.44 0.00 -2.27 0.00 0.00 64.05 60.76 2ber n THR 605 Cb 0.27 0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.84 2ber n THR 605 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2ber n SER 606 N 0.91 2.83 0.25 3.42 2.88 -1.26 -4.90 113.62 117.75 2ber n SER 606 Ca 0.16 1.17 0.16 0.00 -1.33 0.00 0.00 58.87 59.03 2ber n SER 606 Cb 0.41 -1.46 0.54 0.00 -0.75 0.00 0.00 64.21 62.95 2ber n SER 606 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2ber h LEU 607 N 3.52 0.00-10.39 2.46 3.38 -1.95 -3.41 115.31 108.92 2ber h LEU 607 Ca -0.46 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.03 2ber h LEU 607 Cb 1.28 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.08 2ber h LEU 607 CO 0.70 0.00 0.24 0.00 0.09 0.00 0.00 178.44 179.47 2ber s ALA 608 N -3.51 3.23 0.23 1.53 0.00 -1.26 -4.61 121.76 117.36 2ber s ALA 608 Ca 0.03 -0.47 -0.31 0.00 0.00 0.00 0.00 51.96 51.21 2ber s ALA 608 Cb 0.08 -2.75 -0.14 0.00 0.00 0.00 0.00 23.12 20.31 2ber s ALA 608 CO 0.56 -0.70 1.25 -2.30 0.00 0.00 0.00 175.76 174.57 2ber n PRO 609 N -2.59 1.62 -4.49 0.00 -0.02 -1.26 -4.73 135.00 123.52 2ber n PRO 609 Ca 0.04 0.57 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 2ber n PRO 609 Cb 0.56 -2.12 -0.15 0.00 -0.02 0.00 0.00 33.50 31.77 2ber n PRO 609 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2ber s GLN 610 N -0.66 3.30 -0.05 -0.52 -0.21 0.21 -4.92 119.66 116.81 2ber s GLN 610 Ca 0.68 -0.71 -0.17 0.00 0.02 0.00 0.00 55.36 55.18 2ber s GLN 610 Cb -0.73 -2.69 -0.05 0.00 1.00 0.00 0.00 33.01 30.54 2ber s GLN 610 CO 0.53 0.04 0.45 1.03 -2.12 0.00 0.00 175.29 175.22 2ber s ARG 611 N 0.78 4.15 -0.30 2.91 0.52 -1.26 -1.15 118.95 124.60 2ber s ARG 611 Ca -0.05 0.45 0.03 0.00 -0.52 0.00 0.00 55.73 55.64 2ber s ARG 611 Cb -0.15 -3.33 0.08 0.00 0.52 0.00 0.00 34.95 32.07 2ber s ARG 611 CO 0.01 0.43 -0.02 0.00 0.02 0.00 0.00 175.30 175.74 2ber s ALA 612 N -0.25 2.76 0.15 2.13 0.00 -0.10 -5.00 121.76 121.45 2ber s ALA 612 Ca 0.25 -2.12 0.04 0.00 0.00 0.00 0.00 51.96 50.13 2ber s ALA 612 Cb -0.16 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 2ber s ALA 612 CO 0.12 -1.44 0.19 0.14 0.00 0.00 0.00 175.76 174.77 2ber s VAL 613 N 1.04 4.82 0.04 0.00 -7.23 -1.26 -0.75 120.40 117.07 2ber s VAL 613 Ca 0.00 -0.89 -0.18 0.00 -1.81 0.00 0.00 61.98 59.10 2ber s VAL 613 Cb -0.20 -3.46 0.04 0.00 0.56 0.00 0.00 36.38 33.32 2ber s VAL 613 CO -0.06 -0.08 0.41 0.72 -0.31 0.00 0.00 175.10 175.79 2ber s PHE 614 N -1.71 -0.27 0.27 2.82 -0.12 -0.41 -4.85 117.98 113.71 2ber s PHE 614 Ca 0.32 0.23 -0.30 0.00 -0.05 0.00 0.00 56.93 57.13 2ber s PHE 614 Cb -0.11 0.22 -0.13 0.00 -0.63 0.00 0.00 43.02 42.37 2ber s PHE 614 CO 0.25 -0.57 1.28 -2.30 -0.05 0.00 0.00 175.22 173.83 2ber n PRO 615 N 0.50 1.87 -1.72 1.99 -0.02 -1.26 -4.50 135.00 131.85 2ber n PRO 615 Ca -0.18 0.66 -0.43 0.00 -2.02 0.00 0.00 63.50 61.53 2ber n PRO 615 Cb 0.60 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 2ber n PRO 615 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ber n ALA 616 N 1.09 2.06 -3.18 3.55 0.00 -1.26 -4.79 120.51 117.97 2ber n ALA 616 Ca 0.09 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.78 2ber n ALA 616 Cb 0.32 -2.39 -0.08 0.00 0.00 0.00 0.00 19.45 17.30 2ber n ALA 616 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2ber s ARG 617 N -0.71 0.77 0.03 0.00 1.70 -0.13 -4.95 118.95 115.67 2ber s ARG 617 Ca 0.64 -0.27 -0.24 0.00 -0.47 0.00 0.00 55.73 55.39 2ber s ARG 617 Cb -0.54 0.34 -0.05 0.00 -0.57 0.00 0.00 34.95 34.13 2ber s ARG 617 CO 0.51 -0.23 0.73 -0.51 -1.08 0.00 0.00 175.30 174.72 2ber s ASP 618 N -1.61 7.16 -0.22 -2.89 1.01 -1.26 -0.86 116.67 117.99 2ber s ASP 618 Ca -0.10 1.39 -0.26 0.00 0.71 0.00 0.00 52.55 54.28 2ber s ASP 618 Cb -0.03 -2.45 0.07 0.00 1.01 0.00 0.00 42.92 41.53 2ber s ASP 618 CO 0.02 0.02 0.73 0.00 0.21 0.00 0.00 175.17 176.15 2ber s ALA 619 N -0.04 -1.79 -0.13 5.23 0.00 -0.33 -4.70 121.76 120.01 2ber s ALA 619 Ca 0.37 1.87 0.19 0.00 0.00 0.00 0.00 51.96 54.39 2ber s ALA 619 Cb -0.20 -0.94 -0.20 0.00 0.00 0.00 0.00 23.12 21.78 2ber s ALA 619 CO 0.22 -0.34 0.57 -2.13 0.00 0.00 0.00 175.76 174.08 2ber n ARG 620 N 2.26 0.65 -4.29 0.00 0.63 -0.71 -0.99 116.66 114.21 2ber n ARG 620 Ca -0.15 0.05 -0.20 0.00 -0.92 0.00 0.00 57.85 56.64 2ber n ARG 620 Cb 0.56 -1.67 -0.13 0.00 0.45 0.00 0.00 32.46 31.67 2ber n ARG 620 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2ber s TYR 621 N -3.00 1.25 -0.02 -0.14 2.02 -0.57 -0.74 117.35 116.13 2ber s TYR 621 Ca -0.06 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.26 2ber s TYR 621 Cb 0.09 -0.73 0.01 0.00 -0.40 0.00 0.00 41.96 40.94 2ber s TYR 621 CO 0.84 0.05 -0.04 -1.50 -1.57 0.00 0.00 175.55 173.33 2ber s ILE 622 N -1.00 0.41 -0.09 2.71 2.07 -0.62 -1.67 121.20 123.00 2ber s ILE 622 Ca 0.01 -0.11 0.04 0.00 -1.41 0.00 0.00 60.65 59.17 2ber s ILE 622 Cb -0.09 -0.41 0.00 0.00 0.13 0.00 0.00 42.46 42.09 2ber s ILE 622 CO 0.02 0.17 -0.23 -0.60 -1.91 0.00 0.00 174.94 172.38 2ber s ARG 623 N 0.53 2.89 -0.39 3.50 3.52 -0.18 -0.04 118.95 128.78 2ber s ARG 623 Ca -0.06 -0.84 -0.15 0.00 -0.13 0.00 0.00 55.73 54.55 2ber s ARG 623 Cb -0.10 -2.21 0.01 0.00 -1.56 0.00 0.00 34.95 31.09 2ber s ARG 623 CO -0.00 0.18 0.31 -1.17 -0.81 0.00 0.00 175.30 173.81 2ber s LEU 624 N 0.33 4.87 -0.29 -0.88 2.96 -0.38 -1.07 118.68 124.22 2ber s LEU 624 Ca -0.17 -0.69 -0.19 0.00 -0.22 0.00 0.00 54.13 52.85 2ber s LEU 624 Cb -0.17 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.30 2ber s LEU 624 CO 0.08 -0.41 0.58 -0.69 -1.32 0.00 0.00 176.35 174.60 2ber s VAL 625 N 1.78 4.99 -0.60 1.68 1.01 -0.32 -1.66 120.40 127.29 2ber s VAL 625 Ca 0.07 0.82 -0.19 0.00 0.00 0.00 0.00 61.98 62.68 2ber s VAL 625 Cb -0.18 -3.94 0.11 0.00 0.00 0.00 0.00 36.38 32.37 2ber s VAL 625 CO 0.11 -0.07 0.70 0.00 0.00 0.00 0.00 175.10 175.84 2ber s ALA 626 N 2.49 3.45 0.20 5.51 0.00 0.54 -1.95 121.76 132.00 2ber s ALA 626 Ca 0.23 -2.30 -0.05 0.00 0.00 0.00 0.00 51.96 49.85 2ber s ALA 626 Cb -0.15 -3.52 0.14 0.00 0.00 0.00 0.00 23.12 19.59 2ber s ALA 626 CO 0.11 -2.34 1.57 -0.07 0.00 0.00 0.00 175.76 175.03 2ber h LEU 627 N 9.84 0.76 -7.83 0.00 3.38 -1.04 0.10 115.31 120.52 2ber h LEU 627 Ca -0.28 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.31 2ber h LEU 627 Cb 1.09 -0.21 -0.12 0.00 0.09 0.00 0.00 40.66 41.51 2ber h LEU 627 CO 1.09 1.03 -0.15 -0.94 0.09 0.00 0.00 178.44 179.56 2ber s SER 628 N -6.82 -0.11 0.10 -0.43 1.04 -1.12 -4.30 113.70 102.07 2ber s SER 628 Ca -0.09 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.72 2ber s SER 628 Cb 0.12 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 2ber s SER 628 CO 0.84 -0.95 0.20 -0.70 0.98 0.00 0.00 173.24 173.61 2ber s GLU 629 N -3.91 3.27 0.30 4.02 -6.30 -1.26 -1.22 118.70 113.60 2ber s GLU 629 Ca 0.12 -0.59 0.04 0.00 -2.50 0.00 0.00 54.97 52.04 2ber s GLU 629 Cb 0.01 -2.91 0.77 0.00 0.00 0.00 0.00 34.13 32.00 2ber s GLU 629 CO -0.03 0.56 1.64 1.96 0.02 0.00 0.00 175.26 179.41 2ber h GLN 630 N 2.74 0.19 -0.15 4.30 1.08 -1.19 -2.41 115.11 119.67 2ber h GLN 630 Ca -0.47 -0.01 -0.17 0.00 -1.45 0.00 0.00 58.65 56.56 2ber h GLN 630 Cb 1.18 -0.04 -0.25 0.00 -0.05 0.00 0.00 27.48 28.32 2ber h GLN 630 CO 0.70 0.13 -0.81 0.25 -0.95 0.00 0.00 178.83 178.15 2ber n THR 631 N -5.23 1.34 -1.20 -0.54 -2.24 -1.26 -5.01 114.28 100.15 2ber n THR 631 Ca 0.23 -2.53 -0.06 0.00 -2.27 0.00 0.00 64.05 59.42 2ber n THR 631 Cb 0.74 0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 69.22 2ber n THR 631 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ber n GLY 632 N -0.42 0.81 3.63 3.38 0.00 -0.91 -5.05 105.19 106.63 2ber n GLY 632 Ca 0.16 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 2ber n GLY 632 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ber s HIS 633 N -2.22 1.12 -0.06 1.61 3.76 -1.26 -4.94 115.29 113.30 2ber s HIS 633 Ca 0.00 0.66 0.13 0.00 -0.15 0.00 0.00 55.06 55.70 2ber s HIS 633 Cb 0.00 -3.40 -0.10 0.00 1.11 0.00 0.00 32.58 30.19 2ber s HIS 633 CO 0.00 -3.49 1.14 -0.22 -0.85 0.00 0.00 174.74 171.32 2ber h LYS 634 N -2.31 0.00 -6.21 1.40 3.64 -1.97 -3.42 116.57 107.70 2ber h LYS 634 Ca -0.49 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.32 2ber h LYS 634 Cb 1.31 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.06 2ber h LYS 634 CO 0.43 0.58 -0.57 0.71 -2.27 0.00 0.00 179.45 178.33 2ber s TYR 635 N -2.84 3.11 -0.06 1.91 2.02 -1.26 -3.89 117.35 116.34 2ber s TYR 635 Ca 0.00 -0.04 0.05 0.00 -0.37 0.00 0.00 57.07 56.72 2ber s TYR 635 Cb 0.09 -1.48 -0.01 0.00 -0.40 0.00 0.00 41.96 40.15 2ber s TYR 635 CO 0.79 0.52 -0.23 0.00 -1.57 0.00 0.00 175.55 175.06 2ber s ALA 636 N -1.79 2.24 0.01 3.71 0.00 -1.26 -4.40 121.76 120.26 2ber s ALA 636 Ca 0.31 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.27 2ber s ALA 636 Cb -0.10 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 2ber s ALA 636 CO 0.23 0.42 -0.11 0.00 0.00 0.00 0.00 175.76 176.30 2ber s ALA 637 N -0.18 0.91 -0.04 0.00 0.00 0.03 -1.24 121.76 121.24 2ber s ALA 637 Ca -0.03 -0.54 -0.00 0.00 0.00 0.00 0.00 51.96 51.38 2ber s ALA 637 Cb -0.14 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.82 2ber s ALA 637 CO 0.04 0.20 0.02 0.08 0.00 0.00 0.00 175.76 176.09 2ber s VAL 638 N -0.44 0.12 -0.05 0.00 1.01 -0.84 -4.15 120.40 116.04 2ber s VAL 638 Ca 0.03 0.17 -0.17 0.00 0.00 0.00 0.00 61.98 62.00 2ber s VAL 638 Cb -0.05 -0.26 -0.31 0.00 0.00 0.00 0.00 36.38 35.76 2ber s VAL 638 CO 0.00 0.16 0.78 0.00 0.00 0.00 0.00 175.10 176.03 2ber h ALA 639 N 7.60 0.01 -2.97 5.51 0.00 -1.12 -0.33 119.26 127.96 2ber h ALA 639 Ca -0.35 -0.91 -0.16 0.00 0.00 0.00 0.00 54.91 53.49 2ber h ALA 639 Cb 1.13 0.28 -0.23 0.00 0.00 0.00 0.00 17.79 18.97 2ber h ALA 639 CO 0.39 0.67 -0.47 -1.21 0.00 0.00 0.00 179.25 178.63 2ber s GLU 640 N -2.50 0.38 -0.08 0.00 2.02 -1.11 -4.18 118.70 113.23 2ber s GLU 640 Ca -0.15 -0.06 0.03 0.00 0.02 0.00 0.00 54.97 54.81 2ber s GLU 640 Cb 0.03 0.17 0.01 0.00 0.10 0.00 0.00 34.13 34.44 2ber s GLU 640 CO 0.84 -0.08 -0.17 -0.51 0.02 0.00 0.00 175.26 175.36 2ber s LEU 641 N -0.67 1.82 0.10 1.80 1.43 -0.13 -1.19 118.68 121.85 2ber s LEU 641 Ca -0.08 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 2ber s LEU 641 Cb -0.04 -1.06 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 2ber s LEU 641 CO 0.01 0.08 -0.21 -1.61 0.23 0.00 0.00 176.35 174.86 2ber s GLU 642 N 0.53 1.12 -0.16 1.70 0.41 -0.61 -4.64 118.70 117.06 2ber s GLU 642 Ca -0.16 -1.17 -0.01 0.00 -0.41 0.00 0.00 54.97 53.22 2ber s GLU 642 Cb -0.17 -1.38 -0.01 0.00 -1.78 0.00 0.00 34.13 30.79 2ber s GLU 642 CO 0.06 0.32 -0.12 0.08 -0.49 0.00 0.00 175.26 175.11 2ber s VAL 643 N -1.18 2.99 -0.30 2.63 1.01 -1.26 0.07 120.40 124.36 2ber s VAL 643 Ca 0.07 -0.66 -0.28 0.00 0.00 0.00 0.00 61.98 61.11 2ber s VAL 643 Cb -0.10 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 34.01 2ber s VAL 643 CO 0.04 0.50 1.02 -1.61 0.00 0.00 0.00 175.10 175.05 2ber s GLU 644 N 0.79 4.09 -0.08 2.72 2.02 0.04 -0.52 118.70 127.77 2ber s GLU 644 Ca -0.04 1.05 -0.30 0.00 0.02 0.00 0.00 54.97 55.69 2ber s GLU 644 Cb -0.15 -3.71 0.10 0.00 0.10 0.00 0.00 34.13 30.47 2ber s GLU 644 CO 0.01 -0.80 1.36 0.20 0.02 0.00 0.00 175.26 176.05 2ber s GLY 645 N 1.55 -0.22 -0.18 -1.39 0.00 -0.90 -0.52 107.32 105.66 2ber s GLY 645 Ca 0.43 0.20 -0.15 0.00 0.00 0.00 0.00 44.72 45.19 2ber s GLY 645 CO 0.13 6.08 0.35 1.20 0.00 0.00 0.00 173.10 180.86 2ber s GLN 646 N -2.01 4.21 0.00 2.90 -0.21 0.00 -3.97 119.66 120.57 2ber s GLN 646 Ca 0.30 0.15 0.16 0.00 0.02 0.00 0.00 55.36 56.00 2ber s GLN 646 Cb 0.01 -3.49 0.95 0.00 1.00 0.00 0.00 33.01 31.47 2ber s GLN 646 CO -0.03 0.07 1.36 0.54 -2.12 0.00 0.00 175.29 175.11