#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jya n LEU 34 N 0.00 -0.01 -2.32 2.45 7.94 -1.26 -4.75 117.00 119.05 3jya n LEU 34 Ca 0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 3jya n LEU 34 Cb 0.00 0.12 -0.06 0.00 0.53 0.00 0.00 43.42 44.01 3jya n LEU 34 CO 0.00 0.00 0.90 -0.62 -1.11 0.00 0.00 177.39 176.56 3jya n GLU 35 N 1.57 0.71 0.01 1.96 4.71 -1.26 -1.90 120.64 126.44 3jya n GLU 35 Ca 0.00 -0.36 0.11 0.00 -0.01 0.00 0.00 57.16 56.90 3jya n GLU 35 Cb 0.00 -1.68 0.02 0.00 -1.01 0.00 0.00 31.44 28.77 3jya n GLU 35 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3jya n SER 36 N 2.83 0.69 0.19 1.62 7.64 -1.26 -4.47 113.62 120.85 3jya n SER 36 Ca 0.15 -0.49 0.08 0.00 1.01 0.00 0.00 58.87 59.61 3jya n SER 36 Cb 0.33 0.79 0.21 0.00 -1.01 0.00 0.00 64.21 64.53 3jya n SER 36 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3jya h GLN 37 N 0.00 0.00 -5.23 1.43 4.20 -1.73 -3.46 115.11 110.32 3jya h GLN 37 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 3jya h GLN 37 Cb 0.60 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 28.09 3jya h GLN 37 CO 0.00 0.28 -0.81 0.71 -0.67 0.00 0.00 178.83 178.33 3jya s TYR 38 N -3.24 1.32 -0.10 2.96 2.02 -1.26 -0.62 117.35 118.43 3jya s TYR 38 Ca 0.04 -0.29 -0.17 0.00 -0.37 0.00 0.00 57.07 56.28 3jya s TYR 38 Cb 0.08 -0.87 -0.05 0.00 -0.40 0.00 0.00 41.96 40.72 3jya s TYR 38 CO 0.69 -0.06 0.43 -1.14 -1.57 0.00 0.00 175.55 173.89 3jya s GLN 39 N -0.20 4.23 -0.17 -0.62 0.74 -0.39 -4.92 119.66 118.33 3jya s GLN 39 Ca 0.03 0.37 -0.09 0.00 0.05 0.00 0.00 55.36 55.71 3jya s GLN 39 Cb -0.07 -3.38 -0.05 0.00 1.10 0.00 0.00 33.01 30.61 3jya s GLN 39 CO 0.00 0.30 0.15 0.08 -0.55 0.00 0.00 175.29 175.26 3jya s VAL 40 N 0.20 5.43 0.00 1.34 1.01 -1.26 -1.45 120.40 125.67 3jya s VAL 40 Ca 0.24 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.44 3jya s VAL 40 Cb -0.15 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3jya s VAL 40 CO 0.10 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3jya n GLY 41 N 3.01 3.08 3.75 4.51 0.00 0.24 -4.97 105.19 114.81 3jya n GLY 41 Ca -0.17 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 3jya n GLY 41 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3jya s PRO 42 N 3.23 2.67 0.07 1.61 0.02 -1.26 -4.48 135.00 136.87 3jya s PRO 42 Ca 0.00 1.72 -0.31 0.00 0.02 0.00 0.00 61.00 62.43 3jya s PRO 42 Cb 0.00 -1.90 -0.09 0.00 0.02 0.00 0.00 34.50 32.53 3jya s PRO 42 CO 0.00 -1.41 1.70 -1.17 -0.33 0.00 0.00 177.00 175.79 3jya s LEU 43 N -4.57 4.37 -0.10 -5.54 2.96 -1.26 -0.64 118.68 113.89 3jya s LEU 43 Ca 0.74 2.54 0.05 0.00 -0.22 0.00 0.00 54.13 57.24 3jya s LEU 43 Cb -0.28 -3.56 -0.24 0.00 0.50 0.00 0.00 46.19 42.61 3jya s LEU 43 CO 0.38 -0.92 0.43 0.18 -1.32 0.00 0.00 176.35 175.10 3jya n LEU 44 N 5.76 1.66 -3.60 -0.68 4.77 0.25 -4.88 117.00 120.28 3jya n LEU 44 Ca 0.16 0.26 -0.05 0.00 -0.03 0.00 0.00 56.01 56.35 3jya n LEU 44 Cb 0.40 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 3jya n LEU 44 CO 0.63 0.63 0.79 -0.83 -1.33 0.00 0.00 177.39 177.28 3jya s GLY 45 N -5.44 -0.37 0.03 -0.72 0.00 -0.91 -5.00 107.32 94.91 3jya s GLY 45 Ca -0.14 0.84 -0.17 0.00 0.00 0.00 0.00 44.72 45.25 3jya s GLY 45 CO 0.79 0.26 0.37 -1.35 0.00 0.00 0.00 173.10 173.17 3jya s SER 46 N -2.61 -0.23 0.00 1.64 1.04 -1.26 -0.41 113.70 111.87 3jya s SER 46 Ca 0.09 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.49 3jya s SER 46 Cb -0.00 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.51 3jya s SER 46 CO -0.05 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.16 3jya n GLY 47 N 0.64 -0.64 0.36 7.32 0.00 -0.26 -4.95 105.19 107.66 3jya n GLY 47 Ca -0.19 -0.56 0.19 0.00 0.00 0.00 0.00 46.02 45.46 3jya n GLY 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jya h GLY 48 N 0.00 0.00 1.97 -0.02 0.00 -2.03 -1.51 103.07 101.48 3jya h GLY 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3jya h GLY 48 CO 0.00 0.00 -0.01 1.97 0.00 0.00 0.00 176.54 178.50 3jya n PHE 49 N -4.01 0.00 0.00 5.60 1.16 -1.26 -5.05 117.46 113.90 3jya n PHE 49 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.64 3jya n PHE 49 Cb 0.50 -0.49 0.00 0.00 -1.61 0.00 0.00 39.48 37.88 3jya n PHE 49 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3jya n GLY 50 N 1.50 0.21 3.03 4.97 0.00 -0.57 -4.75 105.19 109.57 3jya n GLY 50 Ca 0.07 -1.93 -0.26 0.00 0.00 0.00 0.00 46.02 43.91 3jya n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jya s SER 51 N -4.00 1.96 -0.15 1.61 0.01 -0.69 -1.11 113.70 111.34 3jya s SER 51 Ca 0.00 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.93 3jya s SER 51 Cb 0.00 -0.89 -0.01 0.00 0.21 0.00 0.00 66.02 65.33 3jya s SER 51 CO 0.00 0.02 -0.15 -0.69 0.41 0.00 0.00 173.24 172.84 3jya s VAL 52 N 0.79 2.77 0.11 3.43 1.01 0.46 -0.50 120.40 128.47 3jya s VAL 52 Ca -0.12 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.20 3jya s VAL 52 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3jya s VAL 52 CO 0.02 0.52 -0.13 -0.31 0.00 0.00 0.00 175.10 175.20 3jya s TYR 53 N 0.67 2.67 0.37 5.22 1.51 0.52 0.87 117.35 129.18 3jya s TYR 53 Ca -0.07 -0.19 -0.26 0.00 -1.01 0.00 0.00 57.07 55.53 3jya s TYR 53 Cb -0.16 -1.40 -0.09 0.00 -0.11 0.00 0.00 41.96 40.21 3jya s TYR 53 CO 0.02 0.42 1.12 0.45 -1.11 0.00 0.00 175.55 176.45 3jya s SER 54 N -2.21 6.75 0.14 2.29 0.15 0.19 0.18 113.70 121.18 3jya s SER 54 Ca 0.20 2.25 -0.12 0.00 0.70 0.00 0.00 55.95 58.99 3jya s SER 54 Cb -0.11 -2.61 0.01 0.00 -1.71 0.00 0.00 66.02 61.60 3jya s SER 54 CO 0.13 -0.51 0.32 -0.83 1.20 0.00 0.00 173.24 173.55 3jya s GLY 55 N -1.19 0.10 -0.05 9.45 0.00 0.45 0.81 107.32 116.89 3jya s GLY 55 Ca 0.54 -0.51 -0.01 0.00 0.00 0.00 0.00 44.72 44.75 3jya s GLY 55 CO 0.36 -0.61 0.01 -0.42 0.00 0.00 0.00 173.10 172.44 3jya s ILE 56 N -3.88 0.23 -0.23 0.90 1.01 -0.53 -0.88 121.20 117.82 3jya s ILE 56 Ca 0.09 0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.61 3jya s ILE 56 Cb 0.03 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 42.09 3jya s ILE 56 CO -0.07 0.21 1.60 -0.60 0.00 0.00 0.00 174.94 176.08 3jya s ARG 57 N 1.69 3.79 0.18 2.79 3.52 0.65 -1.26 118.95 130.31 3jya s ARG 57 Ca -0.00 1.62 -0.13 0.00 -0.13 0.00 0.00 55.73 57.09 3jya s ARG 57 Cb -0.13 -4.03 0.11 0.00 -1.56 0.00 0.00 34.95 29.34 3jya s ARG 57 CO -0.03 -1.30 1.84 0.28 -0.81 0.00 0.00 175.30 175.27 3jya h VAL 58 N 6.15 1.11 -0.88 7.11 2.07 -1.20 0.87 116.25 131.48 3jya h VAL 58 Ca -0.33 -0.26 0.17 0.00 0.82 0.00 0.00 66.70 67.11 3jya h VAL 58 Cb 1.15 0.30 -0.17 0.00 -1.52 0.00 0.00 31.29 31.05 3jya h VAL 58 CO 1.01 0.14 -0.23 -0.24 0.02 0.00 0.00 177.57 178.26 3jya n SER 59 N -4.71 -0.33 -0.11 0.57 2.88 -1.26 -3.72 113.62 106.94 3jya n SER 59 Ca 0.04 1.52 0.00 0.00 -1.33 0.00 0.00 58.87 59.10 3jya n SER 59 Cb 0.05 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 3jya n SER 59 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3jya n ASP 60 N -5.43 0.00 -2.12 -3.46 5.68 -1.02 -5.01 116.55 105.18 3jya n ASP 60 Ca 0.14 -1.20 -0.19 0.00 -0.50 0.00 0.00 54.79 53.04 3jya n ASP 60 Cb 0.44 -0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.34 3jya n ASP 60 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3jya n ASN 61 N 0.00 -5.42 -4.71 -1.12 3.02 0.30 -4.96 115.26 102.37 3jya n ASN 61 Ca 0.00 0.17 -0.42 0.00 -0.03 0.00 0.00 54.58 54.30 3jya n ASN 61 Cb 0.54 -4.62 -0.03 0.00 -0.61 0.00 0.00 39.78 35.06 3jya n ASN 61 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3jya s LEU 62 N -5.50 4.36 0.21 3.41 2.96 -1.21 -4.71 118.68 118.21 3jya s LEU 62 Ca 0.00 2.41 -0.30 0.00 -0.22 0.00 0.00 54.13 56.02 3jya s LEU 62 Cb 0.00 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.02 3jya s LEU 62 CO 0.00 -0.75 1.24 -2.84 -1.32 0.00 0.00 176.35 172.69 3jya s PRO 63 N 1.48 4.45 0.06 0.98 0.02 -1.26 -0.26 135.00 140.48 3jya s PRO 63 Ca 0.67 1.97 -0.01 0.00 0.02 0.00 0.00 61.00 63.65 3jya s PRO 63 Cb -0.39 -3.20 -0.04 0.00 0.02 0.00 0.00 34.50 30.89 3jya s PRO 63 CO 0.30 -0.13 -0.01 0.14 -0.33 0.00 0.00 177.00 176.97 3jya s VAL 64 N -0.17 0.20 -0.08 3.83 -7.23 -0.06 -3.08 120.40 113.81 3jya s VAL 64 Ca 0.53 -1.82 -0.01 0.00 -1.81 0.00 0.00 61.98 58.88 3jya s VAL 64 Cb -0.35 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 3jya s VAL 64 CO 0.39 -0.90 -0.03 0.00 -0.31 0.00 0.00 175.10 174.25 3jya s ALA 65 N -3.94 3.14 -0.26 1.32 0.00 0.44 -0.41 121.76 122.04 3jya s ALA 65 Ca 0.10 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.22 3jya s ALA 65 Cb 0.08 -1.37 0.05 0.00 0.00 0.00 0.00 23.12 21.88 3jya s ALA 65 CO -0.08 0.57 -0.08 0.42 0.00 0.00 0.00 175.76 176.59 3jya s ILE 66 N -0.81 2.46 -0.18 0.00 1.01 0.13 -0.93 121.20 122.88 3jya s ILE 66 Ca 0.12 -1.44 -0.03 0.00 0.00 0.00 0.00 60.65 59.30 3jya s ILE 66 Cb -0.11 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 3jya s ILE 66 CO 0.02 0.02 -0.05 -0.75 0.00 0.00 0.00 174.94 174.18 3jya s LYS 67 N 1.18 3.52 -0.17 2.79 2.20 -0.11 -0.35 119.74 128.80 3jya s LYS 67 Ca -0.06 -0.58 -0.04 0.00 -0.36 0.00 0.00 55.97 54.93 3jya s LYS 67 Cb -0.19 -2.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.18 3jya s LYS 67 CO -0.05 0.06 -0.02 -1.01 -0.36 0.00 0.00 175.35 173.97 3jya s HIS 68 N 0.81 3.04 -0.10 4.03 3.76 0.35 -0.59 115.29 126.58 3jya s HIS 68 Ca -0.02 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 54.58 3jya s HIS 68 Cb -0.15 -1.99 0.02 0.00 1.11 0.00 0.00 32.58 31.57 3jya s HIS 68 CO 0.02 -0.08 -0.12 0.08 -0.85 0.00 0.00 174.74 173.79 3jya s VAL 69 N 0.52 1.23 0.23 -0.90 1.01 -0.26 -1.71 120.40 120.51 3jya s VAL 69 Ca -0.02 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 3jya s VAL 69 Cb -0.14 -1.16 -0.09 0.00 0.00 0.00 0.00 36.38 34.99 3jya s VAL 69 CO 0.02 0.39 1.18 -1.61 0.00 0.00 0.00 175.10 175.08 3jya s GLU 70 N 1.16 4.52 0.27 2.72 2.02 -1.26 -0.75 118.70 127.39 3jya s GLU 70 Ca -0.04 1.88 -0.01 0.00 0.02 0.00 0.00 54.97 56.82 3jya s GLU 70 Cb -0.14 -3.21 0.48 0.00 0.10 0.00 0.00 34.13 31.36 3jya s GLU 70 CO -0.03 -0.01 1.86 0.87 0.02 0.00 0.00 175.26 177.97 3jya h LYS 71 N 4.65 1.04 0.00 1.61 1.57 -1.39 -2.14 116.57 121.91 3jya h LYS 71 Ca -0.46 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3jya h LYS 71 Cb 1.21 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.29 3jya h LYS 71 CO 0.71 0.69 0.00 -0.44 -0.57 0.00 0.00 179.45 179.84 3jya h ASP 72 N 1.07 0.00 -0.14 0.86 3.32 -1.93 -1.89 116.42 117.72 3jya h ASP 72 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3jya h ASP 72 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3jya h ASP 72 CO -0.22 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.84 3jya n ARG 73 N -2.92 1.84 -3.69 3.56 3.00 -0.81 -4.82 116.66 112.81 3jya n ARG 73 Ca 0.01 -1.25 -0.36 0.00 -0.01 0.00 0.00 57.85 56.24 3jya n ARG 73 Cb 0.32 -1.44 -0.10 0.00 0.00 0.00 0.00 32.46 31.24 3jya n ARG 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3jya s ILE 74 N -1.83 5.23 -0.18 0.55 1.01 -0.71 -4.96 121.20 120.31 3jya s ILE 74 Ca 0.34 0.14 0.06 0.00 0.00 0.00 0.00 60.65 61.18 3jya s ILE 74 Cb 0.19 -3.44 -0.15 0.00 0.01 0.00 0.00 42.46 39.08 3jya s ILE 74 CO 0.29 0.35 -0.09 -1.54 0.00 0.00 0.00 174.94 173.95 3jya n SER 75 N 4.31 2.10 -4.58 3.58 3.41 -1.26 -4.96 113.62 116.23 3jya n SER 75 Ca -0.15 -0.07 -0.38 0.00 -0.26 0.00 0.00 58.87 58.01 3jya n SER 75 Cb 0.52 0.10 -0.11 0.00 -0.26 0.00 0.00 64.21 64.46 3jya n SER 75 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3jya s ASP 76 N -5.50 6.00 0.04 4.04 3.68 -1.26 -5.07 116.67 118.59 3jya s ASP 76 Ca -0.19 -0.06 0.09 0.00 2.13 0.00 0.00 52.55 54.51 3jya s ASP 76 Cb 0.06 -2.12 -0.03 0.00 -1.45 0.00 0.00 42.92 39.38 3jya s ASP 76 CO 0.50 -0.07 -0.26 0.26 0.13 0.00 0.00 175.17 175.73 3jya s TRP 77 N 1.75 2.28 0.03 -5.34 0.52 -1.26 -1.61 118.94 115.31 3jya s TRP 77 Ca 0.07 -0.41 0.00 0.00 0.02 0.00 0.00 56.10 55.78 3jya s TRP 77 Cb -0.16 -1.37 -0.00 0.00 -1.15 0.00 0.00 33.47 30.78 3jya s TRP 77 CO 0.11 0.11 0.01 0.41 0.02 0.00 0.00 176.95 177.60 3jya n GLY 78 N 1.85 4.05 3.04 0.98 0.00 0.35 -4.68 105.19 110.79 3jya n GLY 78 Ca -0.17 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 43.77 3jya n GLY 78 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3jya s GLU 79 N -2.13 0.48 0.83 1.61 -1.05 -1.26 -1.69 118.70 115.50 3jya s GLU 79 Ca 0.01 -0.84 -0.12 0.00 -0.15 0.00 0.00 54.97 53.87 3jya s GLU 79 Cb 0.00 -0.02 0.09 0.00 -0.44 0.00 0.00 34.13 33.76 3jya s GLU 79 CO 0.01 -0.03 1.17 -0.51 0.95 0.00 0.00 175.26 176.85 3jya s LEU 80 N -1.93 2.41 0.51 1.83 1.43 -1.20 -4.77 118.68 116.97 3jya s LEU 80 Ca -0.07 0.84 0.30 0.00 -1.03 0.00 0.00 54.13 54.17 3jya s LEU 80 Cb -0.05 -3.31 1.42 0.00 0.03 0.00 0.00 46.19 44.28 3jya s LEU 80 CO -0.03 -2.03 1.86 -0.65 0.23 0.00 0.00 176.35 175.73 3jya h PRO 81 N -1.14 0.07 0.06 1.29 0.11 -1.99 0.19 132.00 130.60 3jya h PRO 81 Ca -0.47 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 3jya h PRO 81 Cb 1.33 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3jya h PRO 81 CO 0.65 0.05 -0.03 -0.97 -0.21 0.00 0.00 178.00 177.49 3jya h ASN 82 N 0.08 -0.07 0.00 -2.05 -0.73 -2.06 -3.49 115.58 107.25 3jya h ASN 82 Ca 0.47 -0.33 0.00 0.00 1.87 0.00 0.00 56.30 58.31 3jya h ASN 82 Cb 1.75 0.02 0.00 0.00 0.27 0.00 0.00 38.32 40.36 3jya h ASN 82 CO -0.05 0.30 0.00 0.61 -0.37 0.00 0.00 177.43 177.92 3jya n GLY 83 N -0.12 0.71 3.25 1.57 0.00 0.06 -5.15 105.19 105.51 3jya n GLY 83 Ca -0.08 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 3jya n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jya s THR 84 N -0.67 1.64 -0.54 2.61 2.01 -1.26 -4.79 115.64 114.64 3jya s THR 84 Ca 0.00 -1.27 -0.26 0.00 0.31 0.00 0.00 61.69 60.46 3jya s THR 84 Cb 0.00 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 3jya s THR 84 CO 0.00 0.12 2.14 -0.60 -0.69 0.00 0.00 174.62 175.59 3jya s ARG 85 N -1.36 2.38 0.23 4.92 3.52 -1.26 -3.26 118.95 124.12 3jya s ARG 85 Ca 0.07 1.04 0.10 0.00 -0.13 0.00 0.00 55.73 56.80 3jya s ARG 85 Cb -0.09 -4.48 -0.05 0.00 -1.56 0.00 0.00 34.95 28.77 3jya s ARG 85 CO 0.02 -2.99 -0.18 0.14 -0.81 0.00 0.00 175.30 171.49 3jya s VAL 86 N 10.61 2.09 0.53 7.11 -7.23 -0.68 -5.00 120.40 127.83 3jya s VAL 86 Ca 0.83 -2.26 -0.22 0.00 -1.81 0.00 0.00 61.98 58.52 3jya s VAL 86 Cb -0.15 -2.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.60 3jya s VAL 86 CO 0.24 -0.47 1.33 -2.84 -0.31 0.00 0.00 175.10 173.05 3jya s PRO 87 N -3.47 3.24 0.41 4.82 0.02 -1.26 -0.50 135.00 138.26 3jya s PRO 87 Ca 0.25 2.16 0.17 0.00 0.02 0.00 0.00 61.00 63.61 3jya s PRO 87 Cb -0.03 -2.28 1.08 0.00 0.02 0.00 0.00 34.50 33.28 3jya s PRO 87 CO 0.10 -1.09 1.83 1.98 -0.33 0.00 0.00 177.00 179.49 3jya h MET 88 N 1.55 0.41 -0.86 5.54 1.85 -1.57 -1.49 114.93 120.36 3jya h MET 88 Ca -0.51 -0.02 0.09 0.00 -0.61 0.00 0.00 59.70 58.65 3jya h MET 88 Cb 1.29 -0.09 -0.07 0.00 0.43 0.00 0.00 31.60 33.16 3jya h MET 88 CO 0.58 0.27 0.51 1.49 -0.40 0.00 0.00 176.91 179.36 3jya h GLU 89 N 0.42 0.85 -0.25 0.39 4.81 -1.82 0.14 114.58 119.12 3jya h GLU 89 Ca 0.51 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.67 3jya h GLU 89 Cb 1.27 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 3jya h GLU 89 CO -0.22 0.56 0.05 0.28 -0.73 0.00 0.00 179.01 178.96 3jya h VAL 90 N 0.88 1.22 -0.36 0.32 2.07 -1.64 -0.23 116.25 118.51 3jya h VAL 90 Ca 0.40 -0.73 0.07 0.00 0.82 0.00 0.00 66.70 67.27 3jya h VAL 90 Cb 0.32 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.25 3jya h VAL 90 CO -0.23 0.23 -0.09 0.58 0.02 0.00 0.00 177.57 178.09 3jya h VAL 91 N 0.22 0.64 -0.20 2.57 2.07 -1.07 -1.05 116.25 119.44 3jya h VAL 91 Ca 0.08 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 3jya h VAL 91 Cb 0.30 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3jya h VAL 91 CO 0.00 0.00 0.01 -0.07 0.02 0.00 0.00 177.57 177.54 3jya h LEU 92 N 0.00 0.33 -1.00 2.57 3.38 -0.73 -2.57 115.31 117.31 3jya h LEU 92 Ca 0.17 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3jya h LEU 92 Cb 0.26 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3jya h LEU 92 CO -0.37 0.54 0.34 -0.07 0.09 0.00 0.00 178.44 178.97 3jya h LEU 93 N 0.11 0.96 -0.70 1.67 3.38 -0.89 -2.49 115.31 117.35 3jya h LEU 93 Ca 0.06 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3jya h LEU 93 Cb 0.36 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3jya h LEU 93 CO 0.01 0.82 0.46 0.11 0.09 0.00 0.00 178.44 179.93 3jya h LYS 94 N 1.05 0.93 -0.01 1.13 1.57 -1.11 -0.56 116.57 119.58 3jya h LYS 94 Ca 0.25 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3jya h LYS 94 Cb 0.12 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3jya h LYS 94 CO -0.03 0.62 -0.21 0.87 -0.57 0.00 0.00 179.45 180.13 3jya h LYS 95 N 0.96 0.01 -0.01 3.15 1.57 -1.04 -3.09 116.57 118.11 3jya h LYS 95 Ca 0.26 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3jya h LYS 95 Cb -0.10 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3jya h LYS 95 CO -0.05 0.22 -0.45 1.33 -0.57 0.00 0.00 179.45 179.92 3jya n VAL 96 N -4.29 0.00 -3.12 0.50 0.24 -0.98 -4.87 118.33 105.81 3jya n VAL 96 Ca -0.02 -0.27 -0.39 0.00 -2.04 0.00 0.00 64.34 61.61 3jya n VAL 96 Cb 0.27 1.23 -0.06 0.00 -1.47 0.00 0.00 33.84 33.82 3jya n VAL 96 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3jya s SER 97 N -2.33 7.18 0.00 -1.34 0.01 -0.25 -4.89 113.70 112.07 3jya s SER 97 Ca 0.17 1.40 0.00 0.00 1.31 0.00 0.00 55.95 58.83 3jya s SER 97 Cb 0.17 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.97 3jya s SER 97 CO 0.53 0.19 0.00 -1.54 0.41 0.00 0.00 173.24 172.83 3jya n SER 98 N 1.99 0.00 -0.24 2.44 3.41 -1.26 -4.98 113.62 114.98 3jya n SER 98 Ca -0.07 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.55 3jya n SER 98 Cb 0.50 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.59 3jya n SER 98 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3jya h GLY 99 N 0.00 1.03 -4.17 5.00 0.00 -2.02 -3.43 103.07 99.47 3jya h GLY 99 Ca 0.00 -0.19 -0.52 0.00 0.00 0.00 0.00 47.33 46.61 3jya h GLY 99 CO 0.00 0.03 0.69 -0.12 0.00 0.00 0.00 176.54 177.14 3jya s PHE 100 N -6.06 3.13 -0.28 5.60 5.36 -1.26 -4.94 117.98 119.53 3jya s PHE 100 Ca -0.13 1.19 0.13 0.00 -0.96 0.00 0.00 56.93 57.16 3jya s PHE 100 Cb 0.18 -3.70 0.79 0.00 -0.34 0.00 0.00 43.02 39.96 3jya s PHE 100 CO 0.76 -2.16 1.73 -1.13 -1.46 0.00 0.00 175.22 172.95 3jya n SER 101 N 2.16 5.50 0.07 6.13 3.41 -1.26 -4.31 113.62 125.31 3jya n SER 101 Ca 0.05 -2.95 0.13 0.00 -0.26 0.00 0.00 58.87 55.84 3jya n SER 101 Cb 0.42 -0.69 0.32 0.00 -0.26 0.00 0.00 64.21 63.99 3jya n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jya n GLY 102 N 0.49 -1.54 3.31 5.00 0.00 -1.26 -4.66 105.19 106.53 3jya n GLY 102 Ca 0.29 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3jya n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jya s VAL 103 N -3.11 1.98 -0.22 1.61 1.01 -1.26 -0.41 120.40 119.99 3jya s VAL 103 Ca 0.09 -1.29 -0.29 0.00 0.00 0.00 0.00 61.98 60.50 3jya s VAL 103 Cb 0.14 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 3jya s VAL 103 CO 0.65 0.35 1.43 -0.63 0.00 0.00 0.00 175.10 176.90 3jya s ILE 104 N -0.76 3.97 0.26 2.22 -1.09 -0.50 -4.82 121.20 120.48 3jya s ILE 104 Ca 0.10 1.12 -0.29 0.00 -2.23 0.00 0.00 60.65 59.35 3jya s ILE 104 Cb -0.10 -3.91 -0.09 0.00 -1.58 0.00 0.00 42.46 36.78 3jya s ILE 104 CO 0.02 -0.31 0.94 -0.13 -1.23 0.00 0.00 174.94 174.23 3jya s ARG 105 N 4.20 4.79 -0.27 2.79 0.52 -1.26 -4.85 118.95 124.86 3jya s ARG 105 Ca 0.63 1.45 -0.29 0.00 -0.52 0.00 0.00 55.73 56.99 3jya s ARG 105 Cb -0.22 -3.15 0.01 0.00 0.52 0.00 0.00 34.95 32.11 3jya s ARG 105 CO 0.24 0.46 1.08 -1.17 0.02 0.00 0.00 175.30 175.92 3jya s LEU 106 N -1.41 4.02 -0.07 2.53 2.96 -1.26 -1.82 118.68 123.63 3jya s LEU 106 Ca 0.43 1.25 0.15 0.00 -0.22 0.00 0.00 54.13 55.74 3jya s LEU 106 Cb -0.24 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.68 3jya s LEU 106 CO 0.30 -0.78 0.50 0.18 -1.32 0.00 0.00 176.35 175.22 3jya n LEU 107 N 6.62 0.56 -3.60 -0.68 4.77 0.71 -4.98 117.00 120.39 3jya n LEU 107 Ca 0.12 0.26 -0.03 0.00 -0.03 0.00 0.00 56.01 56.33 3jya n LEU 107 Cb 0.46 0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.79 3jya n LEU 107 CO 0.56 0.36 0.97 -0.62 -1.33 0.00 0.00 177.39 177.33 3jya s ASP 108 N -5.78 -0.14 0.05 -1.43 -1.08 -1.16 -5.01 116.67 102.12 3jya s ASP 108 Ca -0.06 -0.06 -0.06 0.00 -0.52 0.00 0.00 52.55 51.85 3jya s ASP 108 Cb 0.08 0.19 -0.01 0.00 -1.46 0.00 0.00 42.92 41.72 3jya s ASP 108 CO 0.83 -0.33 0.12 -1.66 0.52 0.00 0.00 175.17 174.65 3jya s TRP 109 N -2.54 0.22 0.02 -5.34 1.48 -1.26 -0.81 118.94 110.71 3jya s TRP 109 Ca 0.10 -0.59 0.03 0.00 -1.06 0.00 0.00 56.10 54.58 3jya s TRP 109 Cb 0.01 -0.14 -0.02 0.00 -1.16 0.00 0.00 33.47 32.16 3jya s TRP 109 CO -0.04 -0.43 -0.09 -0.06 -4.06 0.00 0.00 176.95 172.27 3jya s PHE 110 N -3.17 0.76 -0.12 1.66 0.08 0.11 -5.00 117.98 112.30 3jya s PHE 110 Ca -0.00 -0.30 -0.08 0.00 0.12 0.00 0.00 56.93 56.67 3jya s PHE 110 Cb 0.02 -0.46 -0.04 0.00 -0.57 0.00 0.00 43.02 41.97 3jya s PHE 110 CO -0.07 -0.02 0.16 -2.00 -0.10 0.00 0.00 175.22 173.18 3jya s GLU 111 N -0.89 3.53 0.35 0.44 2.12 -1.26 -0.66 118.70 122.33 3jya s GLU 111 Ca -0.02 -0.10 0.07 0.00 0.36 0.00 0.00 54.97 55.28 3jya s GLU 111 Cb -0.06 -3.21 -0.07 0.00 0.26 0.00 0.00 34.13 31.05 3jya s GLU 111 CO 0.00 0.74 -0.01 1.03 -0.54 0.00 0.00 175.26 176.48 3jya s ARG 112 N -0.93 1.78 0.28 4.30 0.52 0.11 -4.96 118.95 120.05 3jya s ARG 112 Ca 0.15 -1.97 0.01 0.00 -0.52 0.00 0.00 55.73 53.40 3jya s ARG 112 Cb -0.12 -1.37 0.58 0.00 0.52 0.00 0.00 34.95 34.56 3jya s ARG 112 CO 0.04 -0.04 1.79 -1.35 0.02 0.00 0.00 175.30 175.76 3jya h PRO 113 N 1.99 0.73 -0.02 3.54 0.11 -2.03 -3.18 132.00 133.14 3jya h PRO 113 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3jya h PRO 113 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3jya h PRO 113 CO 0.74 0.48 0.00 -0.25 -0.21 0.00 0.00 178.00 178.76 3jya n ASP 114 N -4.78 1.53 -3.68 -2.05 10.43 -1.26 -5.00 116.55 111.74 3jya n ASP 114 Ca 0.19 -1.29 -0.10 0.00 2.57 0.00 0.00 54.79 56.17 3jya n ASP 114 Cb 0.44 -0.01 -0.03 0.00 1.84 0.00 0.00 41.12 43.36 3jya n ASP 114 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3jya s SER 115 N -0.50 -0.35 0.05 -2.24 1.04 -1.20 -0.98 113.70 109.52 3jya s SER 115 Ca 0.07 -0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.18 3jya s SER 115 Cb 0.05 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 3jya s SER 115 CO 0.07 -1.10 -0.12 -0.36 0.98 0.00 0.00 173.24 172.71 3jya s PHE 116 N -3.85 2.72 -0.10 5.02 0.40 0.07 0.06 117.98 122.31 3jya s PHE 116 Ca 0.07 -0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.28 3jya s PHE 116 Cb -0.02 -1.50 0.00 0.00 0.51 0.00 0.00 43.02 42.01 3jya s PHE 116 CO -0.03 0.35 -0.22 0.08 0.70 0.00 0.00 175.22 176.10 3jya s VAL 117 N -1.04 1.88 -0.07 -0.44 1.01 0.17 -1.11 120.40 120.79 3jya s VAL 117 Ca 0.18 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.29 3jya s VAL 117 Cb -0.11 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 3jya s VAL 117 CO 0.09 0.52 -0.23 -0.76 0.00 0.00 0.00 175.10 174.72 3jya s LEU 118 N 0.46 2.17 -0.23 3.92 1.02 0.24 0.04 118.68 126.30 3jya s LEU 118 Ca -0.17 -0.49 -0.08 0.00 0.02 0.00 0.00 54.13 53.42 3jya s LEU 118 Cb -0.17 -1.41 -0.03 0.00 0.02 0.00 0.00 46.19 44.59 3jya s LEU 118 CO 0.07 0.22 0.08 -0.63 0.02 0.00 0.00 176.35 176.11 3jya s ILE 119 N -0.03 4.54 0.13 -0.59 -1.09 0.01 -0.94 121.20 123.22 3jya s ILE 119 Ca -0.07 -0.10 0.08 0.00 -2.23 0.00 0.00 60.65 58.33 3jya s ILE 119 Cb -0.15 -3.10 -0.04 0.00 -1.58 0.00 0.00 42.46 37.59 3jya s ILE 119 CO 0.05 0.36 -0.19 -0.76 -1.23 0.00 0.00 174.94 173.17 3jya s LEU 120 N 1.30 2.36 0.58 2.97 1.43 -0.10 -0.21 118.68 127.01 3jya s LEU 120 Ca 0.05 -0.76 -0.20 0.00 -1.03 0.00 0.00 54.13 52.19 3jya s LEU 120 Cb -0.15 -0.84 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 3jya s LEU 120 CO 0.04 0.01 1.30 -1.83 0.23 0.00 0.00 176.35 176.10 3jya s GLU 121 N -2.29 2.94 -0.25 1.70 -1.05 -0.75 -0.42 118.70 118.58 3jya s GLU 121 Ca 0.10 2.08 -0.01 0.00 -0.15 0.00 0.00 54.97 56.99 3jya s GLU 121 Cb -0.08 -2.06 0.08 0.00 -0.44 0.00 0.00 34.13 31.62 3jya s GLU 121 CO 0.05 -1.30 0.04 0.50 0.95 0.00 0.00 175.26 175.50 3jya s ARG 122 N -3.13 0.96 0.61 -4.83 3.52 -1.18 -4.37 118.95 110.53 3jya s ARG 122 Ca 0.76 -0.86 -0.18 0.00 -0.13 0.00 0.00 55.73 55.32 3jya s ARG 122 Cb -0.37 -2.24 -0.03 0.00 -1.56 0.00 0.00 34.95 30.76 3jya s ARG 122 CO 0.42 -0.76 1.23 -2.14 -0.81 0.00 0.00 175.30 173.23 3jya s PRO 123 N 1.62 2.82 -0.11 5.12 0.02 -1.26 -4.63 135.00 138.57 3jya s PRO 123 Ca 0.02 1.89 -0.05 0.00 0.02 0.00 0.00 61.00 62.88 3jya s PRO 123 Cb -0.18 -1.90 0.05 0.00 0.02 0.00 0.00 34.50 32.49 3jya s PRO 123 CO -0.14 -1.34 0.25 -1.21 -0.33 0.00 0.00 177.00 174.23 3jya s GLU 124 N -3.38 0.17 0.64 5.54 0.41 -1.26 -4.14 118.70 116.69 3jya s GLU 124 Ca 0.79 0.61 -0.10 0.00 -0.41 0.00 0.00 54.97 55.85 3jya s GLU 124 Cb -0.32 -0.10 -0.01 0.00 -1.78 0.00 0.00 34.13 31.92 3jya s GLU 124 CO 0.35 -0.21 1.02 -1.25 -0.49 0.00 0.00 175.26 174.68 3jya s PRO 125 N 1.73 3.20 0.01 0.39 0.04 -1.26 -4.84 135.00 134.26 3jya s PRO 125 Ca -0.05 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.49 3jya s PRO 125 Cb -0.11 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 3jya s PRO 125 CO -0.08 -0.75 -0.01 0.54 0.04 0.00 0.00 177.00 176.73 3jya s VAL 126 N -3.20 0.06 -0.00 -0.36 0.11 -1.26 -1.99 120.40 113.76 3jya s VAL 126 Ca 0.56 -0.26 0.01 0.00 -2.93 0.00 0.00 61.98 59.35 3jya s VAL 126 Cb -0.11 -0.10 -0.00 0.00 -1.53 0.00 0.00 36.38 34.64 3jya s VAL 126 CO 0.51 -0.12 -0.02 -1.58 -3.33 0.00 0.00 175.10 170.56 3jya s GLN 127 N -0.40 0.14 0.55 1.54 0.74 -0.75 -4.96 119.66 116.52 3jya s GLN 127 Ca -0.04 -0.06 -0.17 0.00 0.05 0.00 0.00 55.36 55.14 3jya s GLN 127 Cb -0.03 -0.14 -0.06 0.00 1.10 0.00 0.00 33.01 33.89 3jya s GLN 127 CO -0.00 0.03 1.05 0.16 -0.55 0.00 0.00 175.29 175.98 3jya s ASP 128 N -0.02 6.02 0.29 6.67 1.47 -1.26 0.25 116.67 130.09 3jya s ASP 128 Ca 0.00 1.85 0.02 0.00 1.18 0.00 0.00 52.55 55.60 3jya s ASP 128 Cb -0.01 -2.54 0.46 0.00 -0.34 0.00 0.00 42.92 40.49 3jya s ASP 128 CO -0.00 -1.01 1.79 0.25 0.68 0.00 0.00 175.17 176.89 3jya h LEU 129 N 0.86 0.58 -0.35 2.11 5.85 -0.91 -1.36 115.31 122.09 3jya h LEU 129 Ca -0.48 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.16 3jya h LEU 129 Cb 1.22 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 3jya h LEU 129 CO 0.58 0.70 0.04 0.15 -0.34 0.00 0.00 178.44 179.57 3jya h PHE 130 N 0.57 0.05 -0.49 1.25 3.04 -1.77 0.83 116.94 120.41 3jya h PHE 130 Ca 0.11 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.99 3jya h PHE 130 Cb 0.46 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.98 3jya h PHE 130 CO 0.02 -0.02 -0.05 -0.44 -2.02 0.00 0.00 178.31 175.80 3jya h ASP 131 N 0.14 0.84 -0.65 0.41 3.32 -1.82 -0.06 116.42 118.60 3jya h ASP 131 Ca 0.17 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 3jya h ASP 131 Cb 0.21 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3jya h ASP 131 CO -0.25 0.93 0.26 0.15 -1.72 0.00 0.00 179.24 178.60 3jya h PHE 132 N 0.79 1.00 -0.26 4.55 3.57 -0.80 0.20 116.94 125.98 3jya h PHE 132 Ca 0.14 -0.08 -0.16 0.00 3.53 0.00 0.00 57.97 61.40 3jya h PHE 132 Cb 0.54 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3jya h PHE 132 CO 0.03 0.79 -0.49 0.82 -2.23 0.00 0.00 178.31 177.22 3jya h ILE 133 N 0.92 1.30 -0.12 1.41 2.04 -0.72 -1.04 117.51 121.31 3jya h ILE 133 Ca 0.22 -1.70 0.03 0.00 1.00 0.00 0.00 64.86 64.41 3jya h ILE 133 Cb 0.21 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3jya h ILE 133 CO -0.02 0.54 -0.04 0.74 0.00 0.00 0.00 178.15 179.37 3jya h THR 134 N 0.55 0.84 -0.53 -0.27 2.02 -0.66 0.33 112.91 115.21 3jya h THR 134 Ca 0.03 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.11 3jya h THR 134 Cb 1.05 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 3jya h THR 134 CO 0.10 0.00 -0.03 -0.33 0.37 0.00 0.00 175.52 175.63 3jya h GLU 135 N -0.03 0.92 0.00 6.66 5.08 -0.93 -3.34 114.58 122.94 3jya h GLU 135 Ca 0.06 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3jya h GLU 135 Cb 0.12 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3jya h GLU 135 CO -0.14 0.93 -0.57 0.54 -1.00 0.00 0.00 179.01 178.78 3jya n ARG 136 N -4.18 3.18 0.00 2.33 1.74 -0.40 -5.10 116.66 114.23 3jya n ARG 136 Ca 0.02 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3jya n ARG 136 Cb 0.34 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 3jya n ARG 136 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jya n GLY 137 N 1.29 -1.22 3.54 -0.13 0.00 0.12 -4.83 105.19 103.95 3jya n GLY 137 Ca 0.02 -1.24 -0.53 0.00 0.00 0.00 0.00 46.02 44.28 3jya n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jya n ALA 138 N 1.29 -1.85 -2.13 4.61 0.00 -1.26 -4.73 120.51 116.43 3jya n ALA 138 Ca 0.00 0.52 -0.39 0.00 0.00 0.00 0.00 53.44 53.57 3jya n ALA 138 Cb 0.00 -1.93 -0.06 0.00 0.00 0.00 0.00 19.45 17.46 3jya n ALA 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3jya s LEU 139 N 0.61 4.55 0.48 0.00 1.43 0.46 -4.93 118.68 121.28 3jya s LEU 139 Ca 0.81 1.49 -0.22 0.00 -1.03 0.00 0.00 54.13 55.18 3jya s LEU 139 Cb -1.01 -3.15 -0.09 0.00 0.03 0.00 0.00 46.19 41.96 3jya s LEU 139 CO 0.52 0.21 0.86 0.00 0.23 0.00 0.00 176.35 178.17 3jya n GLN 140 N 1.81 1.02 -0.09 1.70 6.02 -1.26 -4.54 117.38 122.03 3jya n GLN 140 Ca -0.07 0.37 -0.02 0.00 -0.01 0.00 0.00 57.00 57.27 3jya n GLN 140 Cb 0.50 -1.94 0.22 0.00 1.02 0.00 0.00 30.24 30.04 3jya n GLN 140 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3jya h GLU 141 N 1.02 0.73 -0.95 -1.09 5.08 -1.96 -0.68 114.58 116.72 3jya h GLU 141 Ca -0.45 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 57.80 3jya h GLU 141 Cb 1.36 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 3jya h GLU 141 CO 0.53 0.69 0.62 1.49 -1.00 0.00 0.00 179.01 181.34 3jya h GLU 142 N 0.71 1.13 -0.04 2.33 4.81 -1.99 0.11 114.58 121.63 3jya h GLU 142 Ca 0.15 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 3jya h GLU 142 Cb 0.32 -0.26 0.01 0.00 0.63 0.00 0.00 28.75 29.45 3jya h GLU 142 CO 0.00 0.75 -0.32 1.25 -0.73 0.00 0.00 179.01 179.97 3jya h LEU 143 N 1.17 0.35 -1.13 1.64 5.85 -1.67 -2.92 115.31 118.60 3jya h LEU 143 Ca 0.39 -0.69 0.10 0.00 0.84 0.00 0.00 57.88 58.52 3jya h LEU 143 Cb 0.06 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 3jya h LEU 143 CO -0.14 0.99 0.60 0.00 -0.34 0.00 0.00 178.44 179.55 3jya h ALA 144 N 0.38 1.58 0.41 1.25 0.00 -1.01 -0.87 119.26 121.00 3jya h ALA 144 Ca -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3jya h ALA 144 Cb 1.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3jya h ALA 144 CO 0.06 0.22 -0.20 -0.09 0.00 0.00 0.00 179.25 179.25 3jya h ARG 145 N 0.95 -0.53 -0.40 0.00 2.43 -0.79 0.50 114.38 116.54 3jya h ARG 145 Ca 0.44 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.69 3jya h ARG 145 Cb 0.40 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 3jya h ARG 145 CO -0.20 -0.34 0.15 1.03 -1.51 0.00 0.00 179.97 179.10 3jya h SER 146 N -0.58 0.18 0.14 -3.80 0.87 -1.40 0.77 113.55 109.73 3jya h SER 146 Ca -0.06 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 3jya h SER 146 Cb 0.44 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 3jya h SER 146 CO 0.09 0.14 -0.07 -0.26 -0.53 0.00 0.00 176.83 176.21 3jya h PHE 147 N 0.32 -0.17 -0.69 2.24 -1.00 -1.04 -2.57 116.94 114.03 3jya h PHE 147 Ca 0.18 -0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.97 3jya h PHE 147 Cb 0.15 0.06 -0.04 0.00 3.61 0.00 0.00 35.95 39.73 3jya h PHE 147 CO -0.14 -0.05 0.45 0.35 -1.61 0.00 0.00 178.31 177.31 3jya h PHE 148 N -0.25 0.85 -0.36 -0.55 3.57 0.13 -1.95 116.94 118.38 3jya h PHE 148 Ca -0.02 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.56 3jya h PHE 148 Cb 0.20 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 3jya h PHE 148 CO -0.05 0.53 0.03 2.35 -2.23 0.00 0.00 178.31 178.94 3jya h TRP 149 N 0.92 0.04 -0.58 0.41 2.91 -0.83 -1.08 115.95 117.74 3jya h TRP 149 Ca 0.25 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.24 3jya h TRP 149 Cb -0.09 0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 28.57 3jya h TRP 149 CO -0.03 -0.04 0.11 1.96 -1.03 0.00 0.00 178.44 179.41 3jya h GLN 150 N 0.14 0.92 -0.14 2.65 4.20 -1.21 -1.12 115.11 120.54 3jya h GLN 150 Ca 0.18 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.68 3jya h GLN 150 Cb 0.23 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3jya h GLN 150 CO -0.27 0.84 0.06 0.28 -0.67 0.00 0.00 178.83 179.07 3jya h VAL 151 N 0.87 0.99 -0.59 -0.54 2.07 -1.04 -1.26 116.25 116.76 3jya h VAL 151 Ca 0.18 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.72 3jya h VAL 151 Cb 0.37 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 3jya h VAL 151 CO 0.01 0.03 0.28 -0.07 0.02 0.00 0.00 177.57 177.83 3jya h LEU 152 N 0.14 0.38 -0.83 2.57 -0.00 -0.78 0.10 115.31 116.89 3jya h LEU 152 Ca 0.06 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 3jya h LEU 152 Cb 0.02 -0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 40.62 3jya h LEU 152 CO -0.05 0.25 0.52 -0.33 -0.00 0.00 0.00 178.44 178.84 3jya h GLU 153 N 0.53 1.11 -0.23 1.13 4.39 -1.12 -0.47 114.58 119.91 3jya h GLU 153 Ca 0.27 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 3jya h GLU 153 Cb 0.23 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3jya h GLU 153 CO -0.21 0.76 0.08 0.00 -1.16 0.00 0.00 179.01 178.48 3jya h ALA 154 N 1.29 0.30 -0.56 3.43 0.00 -0.53 -0.86 119.26 122.33 3jya h ALA 154 Ca 0.30 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3jya h ALA 154 Cb -0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3jya h ALA 154 CO -0.06 -0.09 -0.06 0.28 0.00 0.00 0.00 179.25 179.32 3jya h VAL 155 N 0.21 1.27 -0.27 0.00 2.07 -0.72 -1.59 116.25 117.20 3jya h VAL 155 Ca 0.07 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.40 3jya h VAL 155 Cb 0.22 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3jya h VAL 155 CO -0.00 0.43 0.15 0.03 0.02 0.00 0.00 177.57 178.20 3jya h ARG 156 N 0.92 0.31 -0.45 1.57 3.08 -1.03 -1.23 114.38 117.55 3jya h ARG 156 Ca 0.15 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.27 3jya h ARG 156 Cb 0.61 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.52 3jya h ARG 156 CO 0.04 0.20 0.02 1.25 -1.07 0.00 0.00 179.97 180.41 3jya h HIS 157 N 0.32 0.02 -0.08 3.04 2.76 -0.98 0.10 115.15 120.33 3jya h HIS 157 Ca 0.11 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.33 3jya h HIS 157 Cb 0.01 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 3jya h HIS 157 CO -0.08 -0.07 -0.05 0.00 -1.30 0.00 0.00 177.93 176.42 3jya h HIS 159 N -0.06 0.63 -0.86 0.00 -0.00 -0.91 0.45 115.15 114.39 3jya h HIS 159 Ca 0.05 0.00 0.18 0.00 -0.00 0.00 0.00 60.37 60.60 3jya h HIS 159 Cb 0.13 -0.21 -0.06 0.00 -0.00 0.00 0.00 27.41 27.28 3jya h HIS 159 CO -0.16 0.43 0.56 -0.91 -0.00 0.00 0.00 177.93 177.85 3jya h ASN 160 N 0.64 0.45 0.13 2.45 2.35 -0.88 -0.39 115.58 120.32 3jya h ASN 160 Ca 0.17 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3jya h ASN 160 Cb -0.02 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3jya h ASN 160 CO -0.03 0.21 -0.02 0.00 -1.65 0.00 0.00 177.43 175.93 3jya n GLY 162 N 1.11 0.49 3.23 0.00 0.00 -0.16 -4.85 105.19 105.01 3jya n GLY 162 Ca 0.20 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 3jya n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jya s VAL 163 N -2.00 2.31 -0.25 1.61 1.01 0.06 -0.46 120.40 122.68 3jya s VAL 163 Ca 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 3jya s VAL 163 Cb 0.00 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 3jya s VAL 163 CO 0.00 0.54 0.14 -0.22 0.00 0.00 0.00 175.10 175.56 3jya s LEU 164 N 0.65 3.92 0.00 3.92 2.96 0.13 -2.88 118.68 127.38 3jya s LEU 164 Ca -0.10 0.01 -0.23 0.00 -0.22 0.00 0.00 54.13 53.59 3jya s LEU 164 Cb -0.16 -2.06 -0.18 0.00 0.50 0.00 0.00 46.19 44.28 3jya s LEU 164 CO 0.02 0.02 1.24 -0.74 -1.32 0.00 0.00 176.35 175.57 3jya h HIS 165 N 7.86 0.28 -0.01 5.38 -0.00 -1.95 0.93 115.15 127.65 3jya h HIS 165 Ca -0.37 -0.10 -0.00 0.00 -0.00 0.00 0.00 60.37 59.89 3jya h HIS 165 Cb 1.18 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 28.53 3jya h HIS 165 CO 0.69 0.74 -0.00 0.54 -0.00 0.00 0.00 177.93 179.90 3jya n ARG 166 N -4.61 -1.50 -2.73 5.26 1.74 -1.26 -2.68 116.66 110.88 3jya n ARG 166 Ca -0.08 0.39 -0.03 0.00 -0.77 0.00 0.00 57.85 57.36 3jya n ARG 166 Cb 0.38 -4.52 0.09 0.00 -1.02 0.00 0.00 32.46 27.39 3jya n ARG 166 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3jya n ASP 167 N -0.75 -0.26 -4.67 0.55 2.03 -1.26 -4.30 116.55 107.88 3jya n ASP 167 Ca -0.00 -2.26 -0.42 0.00 0.52 0.00 0.00 54.79 52.63 3jya n ASP 167 Cb 0.38 0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 40.99 3jya n ASP 167 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3jya s ILE 168 N -1.45 3.42 0.08 5.18 1.01 -1.26 -4.78 121.20 123.40 3jya s ILE 168 Ca 0.19 0.61 -0.27 0.00 0.00 0.00 0.00 60.65 61.18 3jya s ILE 168 Cb 0.40 -3.40 0.09 0.00 0.01 0.00 0.00 42.46 39.56 3jya s ILE 168 CO -0.08 -0.04 1.04 -1.59 0.00 0.00 0.00 174.94 174.27 3jya s LYS 169 N 3.71 0.91 0.38 2.79 -2.85 -1.26 -4.85 119.74 118.57 3jya s LYS 169 Ca 0.74 -0.48 0.05 0.00 -1.00 0.00 0.00 55.97 55.28 3jya s LYS 169 Cb -0.35 0.33 0.75 0.00 -2.06 0.00 0.00 37.83 36.50 3jya s LYS 169 CO 0.31 -0.42 2.02 0.38 0.10 0.00 0.00 175.35 177.75 3jya h ASP 170 N 2.00 0.61 0.46 0.03 3.04 -1.94 -1.17 116.42 119.45 3jya h ASP 170 Ca -0.25 -0.01 -0.00 0.00 -3.24 0.00 0.00 57.03 53.53 3jya h ASP 170 Cb 1.22 -0.15 -0.00 0.00 -1.04 0.00 0.00 39.33 39.37 3jya h ASP 170 CO 0.27 0.43 -0.02 -0.33 -2.04 0.00 0.00 179.24 177.54 3jya h GLU 171 N 0.71 0.00 -0.45 4.15 5.08 -1.95 -2.69 114.58 119.43 3jya h GLU 171 Ca 0.21 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3jya h GLU 171 Cb -0.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3jya h GLU 171 CO -0.05 0.02 0.06 0.09 -1.00 0.00 0.00 179.01 178.13 3jya n ASN 172 N -3.20 4.38 -3.97 1.42 3.02 -0.44 -4.88 115.26 111.59 3jya n ASN 172 Ca -0.01 -3.13 -0.26 0.00 -0.03 0.00 0.00 54.58 51.15 3jya n ASN 172 Cb 0.19 -0.63 -0.17 0.00 -0.61 0.00 0.00 39.78 38.56 3jya n ASN 172 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3jya s ILE 173 N -2.90 1.10 -0.05 2.41 1.01 -1.04 -1.50 121.20 120.23 3jya s ILE 173 Ca 0.48 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.70 3jya s ILE 173 Cb 0.39 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 3jya s ILE 173 CO 0.11 0.36 0.14 -0.76 0.00 0.00 0.00 174.94 174.79 3jya s LEU 174 N 1.12 4.23 -0.25 2.97 1.43 0.23 -0.81 118.68 127.61 3jya s LEU 174 Ca -0.06 0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 53.30 3jya s LEU 174 Cb -0.14 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 3jya s LEU 174 CO -0.02 0.32 0.05 -0.63 0.23 0.00 0.00 176.35 176.30 3jya s ILE 175 N -1.18 4.14 -0.71 -0.59 1.01 0.14 -0.47 121.20 123.54 3jya s ILE 175 Ca 0.22 -0.26 -0.27 0.00 0.00 0.00 0.00 60.65 60.34 3jya s ILE 175 Cb -0.12 -2.94 0.02 0.00 0.01 0.00 0.00 42.46 39.43 3jya s ILE 175 CO 0.12 0.34 1.38 -0.62 0.00 0.00 0.00 174.94 176.16 3jya s ASP 176 N 1.59 6.02 0.48 3.58 -1.08 0.96 -1.81 116.67 126.41 3jya s ASP 176 Ca 0.06 -0.27 0.22 0.00 -0.52 0.00 0.00 52.55 52.04 3jya s ASP 176 Cb -0.15 -2.55 1.21 0.00 -1.46 0.00 0.00 42.92 39.97 3jya s ASP 176 CO 0.02 -1.91 2.00 -0.07 0.52 0.00 0.00 175.17 175.74 3jya h LEU 177 N 13.56 0.00 0.12 -1.34 3.38 -1.69 0.17 115.31 129.50 3jya h LEU 177 Ca -0.28 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.37 3jya h LEU 177 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3jya h LEU 177 CO 1.26 0.18 -1.68 0.78 0.09 0.00 0.00 178.44 179.07 3jya h ASN 178 N 0.00 0.38 0.69 -0.43 2.35 -1.89 -3.37 115.58 113.31 3jya h ASN 178 Ca -0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 56.30 55.13 3jya h ASN 178 Cb 0.41 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3jya h ASN 178 CO 0.02 1.53 -0.69 0.54 -1.65 0.00 0.00 177.43 177.18 3jya n ARG 179 N -3.43 0.23 -1.82 0.81 1.74 -1.10 -4.85 116.66 108.24 3jya n ARG 179 Ca -0.21 0.05 -0.09 0.00 -0.77 0.00 0.00 57.85 56.83 3jya n ARG 179 Cb 1.05 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 30.85 3jya n ARG 179 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jya n GLY 180 N 1.38 0.42 3.55 -0.13 0.00 0.59 -3.21 105.19 107.79 3jya n GLY 180 Ca 0.03 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 3jya n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jya s GLU 181 N -3.80 3.19 -0.03 1.61 2.02 -1.12 -4.64 118.70 115.93 3jya s GLU 181 Ca 0.00 -0.52 -0.03 0.00 0.02 0.00 0.00 54.97 54.44 3jya s GLU 181 Cb 0.00 -2.76 -0.04 0.00 0.10 0.00 0.00 34.13 31.44 3jya s GLU 181 CO 0.00 0.48 0.13 -0.51 0.02 0.00 0.00 175.26 175.38 3jya s LEU 182 N -0.29 4.16 -0.05 1.80 1.02 -1.26 -0.02 118.68 124.03 3jya s LEU 182 Ca 0.05 0.28 0.00 0.00 0.02 0.00 0.00 54.13 54.48 3jya s LEU 182 Cb -0.13 -2.35 0.02 0.00 0.02 0.00 0.00 46.19 43.76 3jya s LEU 182 CO 0.02 0.30 -0.02 -0.54 0.02 0.00 0.00 176.35 176.13 3jya s LYS 183 N -1.64 0.68 0.22 1.70 1.02 0.38 -4.45 119.74 117.64 3jya s LYS 183 Ca 0.23 -0.00 -0.30 0.00 0.02 0.00 0.00 55.97 55.91 3jya s LYS 183 Cb -0.12 -0.84 -0.09 0.00 -0.52 0.00 0.00 37.83 36.26 3jya s LYS 183 CO 0.13 -0.17 1.27 -1.17 -0.92 0.00 0.00 175.35 174.50 3jya s LEU 184 N 1.30 4.43 0.32 3.17 2.96 0.45 -0.61 118.68 130.71 3jya s LEU 184 Ca -0.05 2.39 0.03 0.00 -0.22 0.00 0.00 54.13 56.27 3jya s LEU 184 Cb -0.13 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 3jya s LEU 184 CO -0.02 -0.47 0.12 0.27 -1.32 0.00 0.00 176.35 174.93 3jya s ILE 185 N -0.14 0.58 -0.25 6.68 -4.36 -0.56 -1.40 121.20 121.74 3jya s ILE 185 Ca 0.54 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.77 3jya s ILE 185 Cb -0.36 -2.55 0.02 0.00 1.25 0.00 0.00 42.46 40.82 3jya s ILE 185 CO 0.40 0.00 0.31 -0.67 0.24 0.00 0.00 174.94 175.21 3jya n ASP 186 N -0.88 -6.56 -0.93 4.36 2.03 -1.26 -4.81 116.55 108.50 3jya n ASP 186 Ca -0.01 0.37 0.05 0.00 0.52 0.00 0.00 54.79 55.71 3jya n ASP 186 Cb 0.65 -2.58 0.19 0.00 -0.72 0.00 0.00 41.12 38.66 3jya n ASP 186 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3jya n PHE 187 N 0.51 0.76 0.35 -0.67 3.01 -1.26 -4.41 117.46 115.74 3jya n PHE 187 Ca -0.02 -0.31 0.11 0.00 1.01 0.00 0.00 57.45 58.24 3jya n PHE 187 Cb 0.49 -0.14 0.46 0.00 -0.01 0.00 0.00 39.48 40.29 3jya n PHE 187 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3jya n GLY 188 N 0.76 -1.13 0.70 1.37 0.00 -1.26 -1.66 105.19 103.97 3jya n GLY 188 Ca 0.13 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.32 3jya n GLY 188 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3jya n SER 189 N -2.11 2.57 -2.27 1.61 7.64 -1.26 -4.87 113.62 114.93 3jya n SER 189 Ca 0.02 -1.74 -0.03 0.00 1.01 0.00 0.00 58.87 58.12 3jya n SER 189 Cb 0.17 -0.08 0.02 0.00 -1.01 0.00 0.00 64.21 63.31 3jya n SER 189 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jya n GLY 190 N 0.90 -0.48 3.61 0.23 0.00 -0.67 -4.70 105.19 104.08 3jya n GLY 190 Ca 0.11 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.26 3jya n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jya s ALA 191 N -3.57 -1.09 0.28 4.61 0.00 0.32 -4.99 121.76 117.31 3jya s ALA 191 Ca 0.09 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 3jya s ALA 191 Cb -0.00 0.87 -0.11 0.00 0.00 0.00 0.00 23.12 23.88 3jya s ALA 191 CO 0.06 -0.88 1.52 -0.51 0.00 0.00 0.00 175.76 175.95 3jya s LEU 192 N -2.88 4.36 0.34 0.00 1.43 -1.26 0.18 118.68 120.85 3jya s LEU 192 Ca 0.09 2.84 -0.28 0.00 -1.03 0.00 0.00 54.13 55.75 3jya s LEU 192 Cb -0.03 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.46 3jya s LEU 192 CO -0.01 -0.82 1.33 -0.22 0.23 0.00 0.00 176.35 176.87 3jya s LEU 193 N -0.61 4.40 0.18 1.79 2.96 0.39 -4.62 118.68 123.16 3jya s LEU 193 Ca 0.60 2.73 -0.07 0.00 -0.22 0.00 0.00 54.13 57.18 3jya s LEU 193 Cb -0.45 -3.67 -0.02 0.00 0.50 0.00 0.00 46.19 42.55 3jya s LEU 193 CO 0.47 -0.60 0.26 -1.59 -1.32 0.00 0.00 176.35 173.57 3jya s LYS 194 N -1.86 1.19 0.00 1.98 -2.85 -1.26 -4.91 119.74 112.02 3jya s LYS 194 Ca 0.50 -1.28 0.21 0.00 -1.00 0.00 0.00 55.97 54.40 3jya s LYS 194 Cb -0.41 0.36 0.01 0.00 -2.06 0.00 0.00 37.83 35.74 3jya s LYS 194 CO 0.54 -0.43 1.06 -0.25 0.10 0.00 0.00 175.35 176.37 3jya n ASP 195 N -0.23 2.06 -4.93 0.03 8.00 -1.26 -4.65 116.55 115.57 3jya n ASP 195 Ca -0.05 -1.53 -0.20 0.00 0.71 0.00 0.00 54.79 53.71 3jya n ASP 195 Cb 0.63 0.42 0.07 0.00 -0.02 0.00 0.00 41.12 42.22 3jya n ASP 195 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3jya s THR 196 N -2.30 2.24 0.25 -3.53 -4.23 -1.26 -5.01 115.64 101.80 3jya s THR 196 Ca 0.18 -0.88 -0.30 0.00 -1.18 0.00 0.00 61.69 59.51 3jya s THR 196 Cb 0.17 -2.36 -0.09 0.00 1.34 0.00 0.00 72.50 71.56 3jya s THR 196 CO 0.51 0.00 1.05 0.54 -0.54 0.00 0.00 174.62 176.17 3jya s VAL 197 N -2.77 3.74 -0.04 2.29 0.11 -1.26 -4.69 120.40 117.79 3jya s VAL 197 Ca 0.62 1.71 -0.17 0.00 -2.93 0.00 0.00 61.98 61.22 3jya s VAL 197 Cb -0.06 -4.09 -0.05 0.00 -1.53 0.00 0.00 36.38 30.64 3jya s VAL 197 CO 0.40 0.39 0.45 -0.31 -3.33 0.00 0.00 175.10 172.70 3jya s TYR 198 N -1.02 3.65 -0.27 1.54 1.51 0.66 -4.96 117.35 118.46 3jya s TYR 198 Ca 0.44 0.97 0.02 0.00 -1.01 0.00 0.00 57.07 57.50 3jya s TYR 198 Cb -0.30 -2.42 0.03 0.00 -0.11 0.00 0.00 41.96 39.17 3jya s TYR 198 CO 0.37 0.44 0.66 0.25 -1.11 0.00 0.00 175.55 176.17 3jya n THR 199 N 2.58 0.19 -4.34 -0.71 -2.24 -1.26 -2.08 114.28 106.42 3jya n THR 199 Ca -0.11 -0.59 -0.28 0.00 -2.27 0.00 0.00 64.05 60.80 3jya n THR 199 Cb 0.52 0.94 -0.11 0.00 -2.10 0.00 0.00 70.33 69.58 3jya n THR 199 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3jya s ASP 200 N -0.35 3.80 -0.28 3.42 3.84 -1.26 -4.88 116.67 120.97 3jya s ASP 200 Ca 0.03 -0.68 -0.21 0.00 -0.00 0.00 0.00 52.55 51.70 3jya s ASP 200 Cb 0.02 -0.48 0.09 0.00 -1.38 0.00 0.00 42.92 41.17 3jya s ASP 200 CO 0.03 0.14 0.78 0.12 -0.00 0.00 0.00 175.17 176.24 3jya s PHE 201 N -1.47 -0.83 0.00 2.11 5.36 -1.26 -5.03 117.98 116.87 3jya s PHE 201 Ca 0.21 1.81 0.17 0.00 -0.96 0.00 0.00 56.93 58.16 3jya s PHE 201 Cb -0.09 0.43 0.29 0.00 -0.34 0.00 0.00 43.02 43.31 3jya s PHE 201 CO 0.11 -0.40 1.11 -3.47 -1.46 0.00 0.00 175.22 171.11 3jya n ASP 202 N 3.34 0.66 -1.74 6.13 2.03 -1.26 -5.09 116.55 120.62 3jya n ASP 202 Ca -0.17 -1.99 0.00 0.00 0.52 0.00 0.00 54.79 53.15 3jya n ASP 202 Cb 0.57 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 3jya n ASP 202 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3jya n GLY 203 N 0.34 0.74 3.63 0.27 0.00 -1.26 -4.88 105.19 104.03 3jya n GLY 203 Ca 0.04 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 3jya n GLY 203 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jya s THR 204 N 1.00 4.97 0.23 2.61 2.01 -1.26 -4.96 115.64 120.24 3jya s THR 204 Ca 0.00 1.17 -0.06 0.00 0.31 0.00 0.00 61.69 63.11 3jya s THR 204 Cb 0.00 -3.95 0.19 0.00 0.01 0.00 0.00 72.50 68.75 3jya s THR 204 CO 0.00 0.01 1.81 -0.09 -0.69 0.00 0.00 174.62 175.67 3jya h ARG 205 N 7.88 0.76 0.00 4.92 2.43 -1.96 -1.30 114.38 127.10 3jya h ARG 205 Ca -0.26 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3jya h ARG 205 Cb 1.12 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3jya h ARG 205 CO 0.78 0.50 0.00 1.33 -1.51 0.00 0.00 179.97 181.07 3jya n VAL 206 N -4.74 1.03 0.13 0.20 0.24 -1.26 -1.18 118.33 112.74 3jya n VAL 206 Ca 0.12 0.31 0.09 0.00 -2.04 0.00 0.00 64.34 62.81 3jya n VAL 206 Cb 0.23 -1.18 0.18 0.00 -1.47 0.00 0.00 33.84 31.60 3jya n VAL 206 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3jya n TYR 207 N -1.87 0.44 -3.32 6.34 4.02 -0.51 -4.84 117.16 117.43 3jya n TYR 207 Ca 0.02 -0.30 -0.34 0.00 -0.01 0.00 0.00 57.90 57.27 3jya n TYR 207 Cb 0.17 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.42 3jya n TYR 207 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3jya s SER 208 N -1.19 6.81 0.72 7.72 1.04 -0.32 -4.01 113.70 124.46 3jya s SER 208 Ca 0.30 1.10 -0.11 0.00 0.48 0.00 0.00 55.95 57.72 3jya s SER 208 Cb 0.17 -2.30 0.02 0.00 0.10 0.00 0.00 66.02 64.02 3jya s SER 208 CO 0.24 0.04 1.08 -2.16 0.98 0.00 0.00 173.24 173.41 3jya s PRO 209 N -2.20 2.78 0.44 4.02 0.04 -1.26 -4.90 135.00 133.91 3jya s PRO 209 Ca 0.41 0.68 0.10 0.00 0.04 0.00 0.00 61.00 62.23 3jya s PRO 209 Cb -0.14 -1.99 0.97 0.00 0.04 0.00 0.00 34.50 33.37 3jya s PRO 209 CO 0.20 -1.14 2.06 -1.00 0.04 0.00 0.00 177.00 177.15 3jya h PRO 210 N -0.74 0.33 -0.03 0.56 0.13 -1.89 -2.16 132.00 128.20 3jya h PRO 210 Ca -0.45 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 3jya h PRO 210 Cb 1.24 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3jya h PRO 210 CO 0.61 0.26 -0.23 1.05 -0.23 0.00 0.00 178.00 179.45 3jya h GLU 211 N 0.33 0.04 0.07 0.86 9.09 -1.86 -0.13 114.58 122.99 3jya h GLU 211 Ca 0.09 -0.01 -0.00 0.00 0.05 0.00 0.00 59.36 59.48 3jya h GLU 211 Cb 0.03 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 3jya h GLU 211 CO -0.01 0.28 -0.03 2.35 0.05 0.00 0.00 179.01 181.64 3jya h TRP 212 N 0.04 -0.09 -0.41 2.06 2.91 -1.41 -1.83 115.95 117.22 3jya h TRP 212 Ca 0.01 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.10 3jya h TRP 212 Cb 0.44 0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 29.06 3jya h TRP 212 CO 0.00 0.31 0.04 0.82 -1.03 0.00 0.00 178.44 178.59 3jya h ILE 213 N -0.50 0.73 0.24 2.65 1.08 -1.27 0.20 117.51 120.65 3jya h ILE 213 Ca -0.01 -0.06 -0.34 0.00 -0.39 0.00 0.00 64.86 64.07 3jya h ILE 213 Cb 0.43 0.56 0.04 0.00 -3.07 0.00 0.00 36.82 34.78 3jya h ILE 213 CO 0.02 0.03 -1.46 0.03 -0.69 0.00 0.00 178.15 176.07 3jya h ARG 214 N 0.16 0.55 0.00 2.37 3.08 -1.12 -3.41 114.38 116.01 3jya h ARG 214 Ca 0.20 -0.92 0.00 0.00 0.07 0.00 0.00 59.98 59.33 3jya h ARG 214 Cb 0.27 0.34 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3jya h ARG 214 CO -0.30 1.44 0.00 0.66 -1.07 0.00 0.00 179.97 180.70 3jya n TYR 215 N -3.72 0.00 -3.31 3.04 4.01 -0.70 -5.01 117.16 111.46 3jya n TYR 215 Ca -0.17 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.35 3jya n TYR 215 Cb 1.10 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 40.19 3jya n TYR 215 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3jya n HIS 216 N -0.79 -2.40 -3.79 -0.72 8.25 0.71 -4.99 115.22 111.50 3jya n HIS 216 Ca 0.00 0.78 -0.13 0.00 -0.26 0.00 0.00 57.72 58.11 3jya n HIS 216 Cb 0.00 -4.66 -0.14 0.00 1.12 0.00 0.00 29.99 26.32 3jya n HIS 216 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3jya s ARG 217 N -6.00 0.11 0.11 -0.41 0.52 -1.20 -4.42 118.95 107.66 3jya s ARG 217 Ca 0.45 0.26 -0.19 0.00 -0.52 0.00 0.00 55.73 55.73 3jya s ARG 217 Cb -0.20 -0.05 0.05 0.00 0.52 0.00 0.00 34.95 35.27 3jya s ARG 217 CO 0.55 -0.09 0.47 1.52 0.02 0.00 0.00 175.30 177.77 3jya s TYR 218 N 0.59 -0.32 0.07 -0.53 1.13 -0.88 -3.41 117.35 114.00 3jya s TYR 218 Ca -0.04 0.12 0.02 0.00 -1.41 0.00 0.00 57.07 55.76 3jya s TYR 218 Cb -0.06 0.34 -0.04 0.00 -1.10 0.00 0.00 41.96 41.10 3jya s TYR 218 CO -0.03 -0.71 0.13 -1.01 -2.51 0.00 0.00 175.55 171.42 3jya s HIS 219 N -3.44 3.32 0.07 -3.49 3.76 -1.26 -0.24 115.29 114.01 3jya s HIS 219 Ca 0.00 0.14 -0.22 0.00 -0.15 0.00 0.00 55.06 54.84 3jya s HIS 219 Cb 0.01 -1.67 -0.12 0.00 1.11 0.00 0.00 32.58 31.90 3jya s HIS 219 CO -0.10 0.55 1.61 0.78 -0.85 0.00 0.00 174.74 176.74 3jya h GLY 220 N 3.19 0.17 0.62 -2.22 0.00 -1.83 -1.93 103.07 101.07 3jya h GLY 220 Ca -0.46 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 3jya h GLY 220 CO 0.70 0.08 -0.00 3.21 0.00 0.00 0.00 176.54 180.53 3jya h ARG 221 N 0.01 0.01 -0.13 4.80 3.08 -1.97 -1.00 114.38 119.19 3jya h ARG 221 Ca 0.03 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 3jya h ARG 221 Cb 0.16 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3jya h ARG 221 CO -0.00 0.39 -0.27 0.66 -1.07 0.00 0.00 179.97 179.69 3jya h SER 222 N -0.37 0.24 -0.37 7.04 4.64 -1.90 -1.05 113.55 121.77 3jya h SER 222 Ca 0.00 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 3jya h SER 222 Cb 0.39 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3jya h SER 222 CO 0.00 0.51 0.12 0.00 -0.87 0.00 0.00 176.83 176.59 3jya h ALA 223 N 1.51 0.49 -0.77 5.18 0.00 -1.31 -1.88 119.26 122.48 3jya h ALA 223 Ca 0.03 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3jya h ALA 223 Cb 0.59 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3jya h ALA 223 CO 0.04 0.13 0.50 0.00 0.00 0.00 0.00 179.25 179.92 3jya h ALA 224 N 0.96 1.00 -0.48 0.00 0.00 -0.70 -1.76 119.26 118.29 3jya h ALA 224 Ca 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3jya h ALA 224 Cb 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3jya h ALA 224 CO -0.00 0.33 0.14 0.28 0.00 0.00 0.00 179.25 180.00 3jya h VAL 225 N 0.99 1.23 -0.27 0.00 2.07 -1.06 -0.99 116.25 118.21 3jya h VAL 225 Ca 0.30 -0.78 0.07 0.00 0.82 0.00 0.00 66.70 67.11 3jya h VAL 225 Cb -0.03 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 3jya h VAL 225 CO -0.09 0.28 -0.22 -0.25 0.02 0.00 0.00 177.57 177.31 3jya h TRP 226 N 0.64 -0.57 -0.43 1.57 2.91 -1.06 -1.02 115.95 117.99 3jya h TRP 226 Ca 0.15 0.04 0.05 0.00 1.13 0.00 0.00 58.89 60.26 3jya h TRP 226 Cb 0.28 0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 29.21 3jya h TRP 226 CO 0.02 -0.30 0.29 0.66 -1.03 0.00 0.00 178.44 178.08 3jya h SER 227 N -0.21 0.35 -0.31 2.65 4.64 -0.95 -2.05 113.55 117.67 3jya h SER 227 Ca 0.15 -0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.32 3jya h SER 227 Cb 0.43 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3jya h SER 227 CO -0.40 0.24 -0.34 -0.07 -0.87 0.00 0.00 176.83 175.39 3jya h LEU 228 N 0.41 0.89 -0.81 5.97 3.38 -0.47 -1.38 115.31 123.29 3jya h LEU 228 Ca 0.18 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.78 3jya h LEU 228 Cb 0.22 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3jya h LEU 228 CO -0.04 1.14 0.53 1.23 0.09 0.00 0.00 178.44 181.39 3jya h GLY 229 N 0.88 1.15 0.93 0.83 0.00 -0.55 0.13 103.07 106.44 3jya h GLY 229 Ca 0.07 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 3jya h GLY 229 CO 0.08 0.43 0.01 -2.22 0.00 0.00 0.00 176.54 174.84 3jya h ILE 230 N 1.11 1.06 -0.48 2.60 1.08 -1.28 -1.62 117.51 119.98 3jya h ILE 230 Ca 0.30 -0.18 0.04 0.00 -0.39 0.00 0.00 64.86 64.63 3jya h ILE 230 Cb -0.12 1.15 -0.04 0.00 -3.07 0.00 0.00 36.82 34.74 3jya h ILE 230 CO -0.06 0.05 0.25 0.25 -0.69 0.00 0.00 178.15 177.94 3jya h LEU 231 N -0.05 0.36 -0.24 1.44 5.85 -1.10 0.80 115.31 122.37 3jya h LEU 231 Ca 0.01 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3jya h LEU 231 Cb 0.07 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3jya h LEU 231 CO -0.00 0.26 0.14 0.25 -0.34 0.00 0.00 178.44 178.75 3jya h LEU 232 N 0.49 0.24 -0.48 2.25 5.85 -0.65 -0.01 115.31 122.99 3jya h LEU 232 Ca 0.21 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.98 3jya h LEU 232 Cb 0.10 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3jya h LEU 232 CO -0.14 0.17 0.20 0.22 -0.34 0.00 0.00 178.44 178.56 3jya h TYR 233 N 0.30 0.36 -0.48 1.25 5.03 -1.07 -1.94 116.97 120.42 3jya h TYR 233 Ca 0.09 0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.51 3jya h TYR 233 Cb -0.01 -0.09 -0.07 0.00 1.55 0.00 0.00 36.73 38.11 3jya h TYR 233 CO -0.07 0.15 0.09 0.22 -1.32 0.00 0.00 178.16 177.23 3jya h ASP 234 N 0.40 -0.00 -0.02 -2.11 3.58 -0.31 0.13 116.42 118.09 3jya h ASP 234 Ca 0.22 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.76 3jya h ASP 234 Cb 0.20 0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 3jya h ASP 234 CO -0.20 0.03 0.01 0.24 -2.88 0.00 0.00 179.24 176.43 3jya h MET 235 N 0.23 0.01 0.00 0.28 2.86 -0.53 0.75 114.93 118.53 3jya h MET 235 Ca 0.24 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3jya h MET 235 Cb 0.31 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 3jya h MET 235 CO -0.31 0.01 -0.31 -0.39 1.06 0.00 0.00 176.91 176.96 3jya h VAL 236 N 0.01 0.00 0.00 -2.22 -1.51 -1.06 0.13 116.25 111.60 3jya h VAL 236 Ca 0.01 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 3jya h VAL 236 Cb 0.00 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 3jya h VAL 236 CO -0.01 0.00 -0.94 0.00 -1.23 0.00 0.00 177.57 175.39 3jya n GLY 238 N 1.59 0.83 3.63 0.00 0.00 0.25 -4.49 105.19 107.00 3jya n GLY 238 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3jya n GLY 238 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jya s ASP 239 N -2.79 -0.33 0.55 1.61 2.15 -1.20 -4.79 116.67 111.87 3jya s ASP 239 Ca 0.00 -0.43 -0.17 0.00 0.43 0.00 0.00 52.55 52.38 3jya s ASP 239 Cb 0.00 0.64 -0.06 0.00 -0.30 0.00 0.00 42.92 43.20 3jya s ASP 239 CO 0.00 -1.15 1.03 0.27 -0.17 0.00 0.00 175.17 175.16 3jya s ILE 240 N -3.87 3.99 -0.08 4.11 -4.36 -1.26 -3.51 121.20 116.21 3jya s ILE 240 Ca 0.09 1.00 0.13 0.00 -0.26 0.00 0.00 60.65 61.61 3jya s ILE 240 Cb -0.03 -3.48 0.00 0.00 1.25 0.00 0.00 42.46 40.21 3jya s ILE 240 CO -0.01 -0.50 1.42 1.55 0.24 0.00 0.00 174.94 177.64 3jya h PRO 241 N 0.78 0.00 -6.11 0.37 0.13 -1.92 -3.46 132.00 121.78 3jya h PRO 241 Ca -0.47 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.05 3jya h PRO 241 Cb 1.21 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.06 3jya h PRO 241 CO 0.59 0.61 -0.85 -0.06 -0.23 0.00 0.00 178.00 178.05 3jya s PHE 242 N -2.92 1.89 -0.01 1.56 0.08 -1.26 -4.92 117.98 112.40 3jya s PHE 242 Ca 0.03 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 56.72 3jya s PHE 242 Cb 0.08 -1.19 -0.01 0.00 -0.57 0.00 0.00 43.02 41.34 3jya s PHE 242 CO 0.76 0.01 0.00 0.39 -0.10 0.00 0.00 175.22 176.28 3jya n GLU 243 N 2.30 3.03 -4.19 0.44 -0.58 -1.26 -4.93 120.64 115.45 3jya n GLU 243 Ca -0.16 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.31 3jya n GLU 243 Cb 0.53 -1.02 -0.08 0.00 -0.57 0.00 0.00 31.44 30.30 3jya n GLU 243 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3jya s HIS 244 N -2.02 2.86 0.29 -0.32 3.76 -1.26 -4.90 115.29 113.69 3jya s HIS 244 Ca -0.01 -0.12 0.03 0.00 -0.15 0.00 0.00 55.06 54.82 3jya s HIS 244 Cb 0.00 -1.41 0.69 0.00 1.11 0.00 0.00 32.58 32.97 3jya s HIS 244 CO 0.03 0.50 1.73 -0.44 -0.85 0.00 0.00 174.74 175.71 3jya h ASP 245 N 2.93 0.47 0.23 1.40 5.19 -1.98 -1.62 116.42 123.05 3jya h ASP 245 Ca -0.47 0.13 -0.12 0.00 -0.62 0.00 0.00 57.03 55.95 3jya h ASP 245 Cb 1.19 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.76 3jya h ASP 245 CO 0.58 0.10 -0.44 -0.33 -3.12 0.00 0.00 179.24 176.02 3jya h GLU 246 N 0.52 0.27 -0.57 3.56 3.07 -1.99 -1.06 114.58 118.38 3jya h GLU 246 Ca 0.54 -0.14 -0.04 0.00 -0.50 0.00 0.00 59.36 59.23 3jya h GLU 246 Cb 0.95 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.84 3jya h GLU 246 CO -0.46 0.67 0.20 0.93 -1.40 0.00 0.00 179.01 178.95 3jya h GLU 247 N 0.22 0.86 0.01 2.33 5.08 -1.72 -1.58 114.58 119.78 3jya h GLU 247 Ca 0.02 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3jya h GLU 247 Cb 0.87 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3jya h GLU 247 CO 0.07 0.76 -0.01 0.82 -1.00 0.00 0.00 179.01 179.66 3jya h ILE 248 N 0.79 1.06 -0.60 3.13 2.04 -0.94 -0.96 117.51 122.03 3jya h ILE 248 Ca 0.19 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 3jya h ILE 248 Cb 0.24 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 3jya h ILE 248 CO -0.01 0.06 0.26 0.40 0.00 0.00 0.00 178.15 178.85 3jya h ILE 249 N -0.11 1.21 -0.24 -0.67 2.04 -1.22 -2.79 117.51 115.72 3jya h ILE 249 Ca -0.00 -0.62 -0.20 0.00 1.00 0.00 0.00 64.86 65.03 3jya h ILE 249 Cb 0.11 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3jya h ILE 249 CO 0.00 0.25 -0.63 -0.09 0.00 0.00 0.00 178.15 177.68 3jya h ARG 250 N 0.85 0.86 -0.34 2.37 2.43 -1.11 -3.48 114.38 115.96 3jya h ARG 250 Ca 0.21 -0.60 -0.15 0.00 -0.81 0.00 0.00 59.98 58.63 3jya h ARG 250 Cb 0.14 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.72 3jya h ARG 250 CO -0.02 1.22 -0.13 0.41 -1.51 0.00 0.00 179.97 179.94 3jya n GLY 251 N 0.49 0.91 3.61 2.80 0.00 -0.38 -4.99 105.19 107.64 3jya n GLY 251 Ca -0.05 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 3jya n GLY 251 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3jya s GLN 252 N -2.39 3.94 -0.24 1.61 2.00 -1.26 -4.95 119.66 118.38 3jya s GLN 252 Ca 0.00 0.58 -0.13 0.00 -2.00 0.00 0.00 55.36 53.81 3jya s GLN 252 Cb 0.00 -3.74 -0.04 0.00 0.80 0.00 0.00 33.01 30.03 3jya s GLN 252 CO 0.00 -0.71 0.29 0.08 -0.50 0.00 0.00 175.29 174.45 3jya s VAL 253 N 3.02 5.26 -0.20 1.34 1.01 -1.26 -5.05 120.40 124.52 3jya s VAL 253 Ca 0.33 0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.71 3jya s VAL 253 Cb -0.14 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3jya s VAL 253 CO 0.13 0.26 -0.05 0.12 0.00 0.00 0.00 175.10 175.56 3jya s PHE 254 N 1.47 2.95 -0.26 5.22 5.36 -1.26 -5.09 117.98 126.36 3jya s PHE 254 Ca 0.13 -0.79 -0.22 0.00 -0.96 0.00 0.00 56.93 55.09 3jya s PHE 254 Cb -0.15 -2.05 -0.01 0.00 -0.34 0.00 0.00 43.02 40.47 3jya s PHE 254 CO 0.08 -0.42 0.71 -0.06 -1.46 0.00 0.00 175.22 174.06 3jya s PHE 255 N 1.15 3.27 -0.52 10.12 0.08 -1.26 -4.92 117.98 125.91 3jya s PHE 255 Ca 0.02 0.88 0.23 0.00 0.12 0.00 0.00 56.93 58.18 3jya s PHE 255 Cb -0.14 -2.96 0.11 0.00 -0.57 0.00 0.00 43.02 39.45 3jya s PHE 255 CO -0.01 -0.39 1.09 2.89 -0.10 0.00 0.00 175.22 178.70 3jya n ARG 256 N 5.88 0.37 -4.47 0.44 1.85 -1.26 -4.89 116.66 114.58 3jya n ARG 256 Ca 0.02 0.04 -0.24 0.00 -1.00 0.00 0.00 57.85 56.67 3jya n ARG 256 Cb 0.48 -1.66 -0.10 0.00 -1.05 0.00 0.00 32.46 30.13 3jya n ARG 256 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3jya s GLN 257 N -3.24 1.66 -0.13 2.89 -1.52 -1.26 -5.09 119.66 112.97 3jya s GLN 257 Ca 0.03 -1.77 -0.29 0.00 -1.95 0.00 0.00 55.36 51.38 3jya s GLN 257 Cb 0.13 -1.69 -0.04 0.00 -0.22 0.00 0.00 33.01 31.19 3jya s GLN 257 CO 0.78 0.29 1.58 0.50 -0.25 0.00 0.00 175.29 178.19 3jya s ARG 258 N -3.54 4.06 -0.03 2.91 3.00 -1.26 -4.99 118.95 119.10 3jya s ARG 258 Ca 0.30 1.93 0.01 0.00 -1.00 0.00 0.00 55.73 56.97 3jya s ARG 258 Cb -0.04 -3.97 0.01 0.00 0.00 0.00 0.00 34.95 30.96 3jya s ARG 258 CO 0.14 -0.98 -0.05 0.08 0.00 0.00 0.00 175.30 174.50 3jya s VAL 259 N 4.36 0.47 0.68 7.11 1.01 -1.26 -5.04 120.40 127.73 3jya s VAL 259 Ca 0.70 -0.16 -0.17 0.00 0.00 0.00 0.00 61.98 62.35 3jya s VAL 259 Cb -0.29 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 3jya s VAL 259 CO 0.27 0.18 1.07 -1.54 0.00 0.00 0.00 175.10 175.08 3jya n SER 260 N 3.60 1.00 -0.07 3.32 3.41 -1.26 -4.75 113.62 118.87 3jya n SER 260 Ca -0.21 0.74 0.05 0.00 -0.26 0.00 0.00 58.87 59.19 3jya n SER 260 Cb 0.53 -1.45 0.40 0.00 -0.26 0.00 0.00 64.21 63.43 3jya n SER 260 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3jya h SER 261 N 0.09 0.55 -0.48 4.04 0.02 -2.01 -1.07 113.55 114.69 3jya h SER 261 Ca -0.49 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.43 3jya h SER 261 Cb 1.34 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 3jya h SER 261 CO 0.49 0.38 0.21 -0.33 -1.14 0.00 0.00 176.83 176.45 3jya h GLU 262 N 0.64 0.70 -0.15 3.45 5.08 -1.99 -0.89 114.58 121.43 3jya h GLU 262 Ca 0.20 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3jya h GLU 262 Cb 0.03 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3jya h GLU 262 CO -0.05 0.62 -0.03 0.00 -1.00 0.00 0.00 179.01 178.55 3jya h GLN 264 N -0.02 0.28 -0.11 0.00 4.20 -1.16 -0.66 115.11 117.63 3jya h GLN 264 Ca 0.04 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3jya h GLN 264 Cb 0.44 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3jya h GLN 264 CO 0.01 0.18 0.07 1.25 -0.67 0.00 0.00 178.83 179.68 3jya h HIS 265 N 0.29 0.15 -0.27 2.96 2.76 -1.01 0.12 115.15 120.14 3jya h HIS 265 Ca 0.34 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.54 3jya h HIS 265 Cb 0.52 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.40 3jya h HIS 265 CO -0.24 0.13 0.10 1.25 -1.30 0.00 0.00 177.93 177.87 3jya h LEU 266 N 0.13 0.12 -0.04 0.26 5.85 -1.10 0.98 115.31 121.51 3jya h LEU 266 Ca 0.04 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.80 3jya h LEU 266 Cb 0.02 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3jya h LEU 266 CO -0.01 0.11 -0.07 0.40 -0.34 0.00 0.00 178.44 178.53 3jya h ILE 267 N 0.23 0.80 -0.44 4.05 2.04 -0.91 -0.48 117.51 122.80 3jya h ILE 267 Ca 0.12 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 3jya h ILE 267 Cb 0.08 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3jya h ILE 267 CO -0.11 0.00 0.25 0.03 0.00 0.00 0.00 178.15 178.32 3jya h ARG 268 N -0.11 0.60 0.00 2.37 3.08 -0.50 -1.61 114.38 118.21 3jya h ARG 268 Ca 0.04 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3jya h ARG 268 Cb 0.17 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3jya h ARG 268 CO -0.10 0.43 -0.00 2.35 -1.07 0.00 0.00 179.97 181.58 3jya h TRP 269 N 0.61 -0.00 -0.39 3.04 7.01 -0.38 -2.77 115.95 123.07 3jya h TRP 269 Ca 0.16 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.24 3jya h TRP 269 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.05 3jya h TRP 269 CO 0.00 0.30 0.27 0.00 -2.79 0.00 0.00 178.44 176.22 3jya n LEU 271 N -4.46 5.17 -4.66 0.00 4.77 -0.64 -3.62 117.00 113.55 3jya n LEU 271 Ca 0.05 -2.62 -0.45 0.00 -0.03 0.00 0.00 56.01 52.96 3jya n LEU 271 Cb 0.34 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 3jya n LEU 271 CO 0.35 0.61 1.02 0.00 -1.33 0.00 0.00 177.39 178.04 3jya n ALA 272 N 0.62 0.99 -0.25 -1.18 0.00 -0.94 -4.89 120.51 114.85 3jya n ALA 272 Ca 0.25 0.42 -0.06 0.00 0.00 0.00 0.00 53.44 54.05 3jya n ALA 272 Cb 1.07 -2.27 0.05 0.00 0.00 0.00 0.00 19.45 18.30 3jya n ALA 272 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3jya h LEU 273 N 4.41 0.92 -9.17 0.00 3.38 -1.92 -3.41 115.31 109.53 3jya h LEU 273 Ca -0.45 -0.15 -0.57 0.00 0.09 0.00 0.00 57.88 56.80 3jya h LEU 273 Cb 1.28 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 3jya h LEU 273 CO 0.77 0.81 0.52 -0.13 0.09 0.00 0.00 178.44 180.51 3jya s ARG 274 N -5.63 4.32 0.31 1.13 0.52 -1.26 -4.77 118.95 113.56 3jya s ARG 274 Ca -0.13 1.18 0.08 0.00 -0.52 0.00 0.00 55.73 56.35 3jya s ARG 274 Cb 0.14 -3.58 0.84 0.00 0.52 0.00 0.00 34.95 32.87 3jya s ARG 274 CO 0.81 -0.39 1.74 -1.35 0.02 0.00 0.00 175.30 176.13 3jya h PRO 275 N 7.31 0.62 0.00 3.54 0.11 -1.96 -1.19 132.00 140.42 3jya h PRO 275 Ca -0.27 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3jya h PRO 275 Cb 1.12 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3jya h PRO 275 CO 0.87 0.41 0.00 0.66 -0.21 0.00 0.00 178.00 179.73 3jya h SER 276 N 0.64 0.00 0.70 -2.05 4.64 -1.95 -2.76 113.55 112.78 3jya h SER 276 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 3jya h SER 276 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3jya h SER 276 CO -0.45 0.00 -0.02 0.47 -0.87 0.00 0.00 176.83 175.96 3jya n ASP 277 N -2.84 0.04 -4.81 4.97 8.00 -0.45 -4.89 116.55 116.57 3jya n ASP 277 Ca 0.02 0.05 -0.34 0.00 0.71 0.00 0.00 54.79 55.23 3jya n ASP 277 Cb 0.36 -0.33 -0.07 0.00 -0.02 0.00 0.00 41.12 41.06 3jya n ASP 277 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3jya s ARG 278 N -2.72 4.26 0.63 -1.24 0.52 -1.04 -4.86 118.95 114.50 3jya s ARG 278 Ca 0.23 1.19 -0.15 0.00 -0.52 0.00 0.00 55.73 56.48 3jya s ARG 278 Cb 0.20 -2.31 -0.01 0.00 0.52 0.00 0.00 34.95 33.35 3jya s ARG 278 CO 0.49 -0.01 1.09 -1.25 0.02 0.00 0.00 175.30 175.64 3jya s PRO 279 N -2.94 3.01 0.82 3.54 0.04 -1.26 -5.05 135.00 133.16 3jya s PRO 279 Ca 0.60 1.30 -0.12 0.00 0.04 0.00 0.00 61.00 62.82 3jya s PRO 279 Cb -0.12 -1.98 0.09 0.00 0.04 0.00 0.00 34.50 32.52 3jya s PRO 279 CO 0.16 -1.07 1.15 0.95 0.04 0.00 0.00 177.00 178.23 3jya s THR 280 N -2.41 2.26 0.23 1.26 -4.23 -1.26 -4.85 115.64 106.63 3jya s THR 280 Ca 0.65 0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 61.18 3jya s THR 280 Cb -0.18 -2.99 0.19 0.00 1.34 0.00 0.00 72.50 70.86 3jya s THR 280 CO 0.40 -0.11 1.84 -0.26 -0.54 0.00 0.00 174.62 175.96 3jya h PHE 281 N -1.14 0.91 -0.39 3.99 0.04 -1.97 -0.56 116.94 117.83 3jya h PHE 281 Ca -0.47 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.33 3jya h PHE 281 Cb 1.32 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 39.16 3jya h PHE 281 CO 0.34 0.46 0.25 1.49 -0.60 0.00 0.00 178.31 180.25 3jya h GLU 282 N 0.90 0.50 -0.93 1.51 4.81 -1.98 -0.77 114.58 118.62 3jya h GLU 282 Ca 0.35 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 3jya h GLU 282 Cb 0.16 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 3jya h GLU 282 CO -0.17 0.33 0.53 0.93 -0.73 0.00 0.00 179.01 179.91 3jya h GLU 283 N 0.52 1.28 0.41 1.92 5.08 -1.82 -0.30 114.58 121.67 3jya h GLU 283 Ca 0.14 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3jya h GLU 283 Cb -0.05 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 28.94 3jya h GLU 283 CO -0.03 0.91 -0.20 0.82 -1.00 0.00 0.00 179.01 179.51 3jya h ILE 284 N 1.29 0.60 0.00 3.13 2.04 -0.87 -2.32 117.51 121.37 3jya h ILE 284 Ca 0.33 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 3jya h ILE 284 Cb -0.01 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3jya h ILE 284 CO -0.06 0.03 -0.07 1.56 0.00 0.00 0.00 178.15 179.61 3jya h GLN 285 N -0.63 0.00 -0.00 2.37 4.20 -0.93 -1.91 115.11 118.20 3jya h GLN 285 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3jya h GLN 285 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3jya h GLN 285 CO 0.09 0.07 -0.32 0.09 -0.67 0.00 0.00 178.83 178.09 3jya n ASN 286 N -3.32 0.57 -4.75 1.46 3.02 -0.14 -4.74 115.26 107.36 3jya n ASN 286 Ca -0.01 -0.38 -0.39 0.00 -0.03 0.00 0.00 54.58 53.77 3jya n ASN 286 Cb 0.24 0.08 0.03 0.00 -0.61 0.00 0.00 39.78 39.53 3jya n ASN 286 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 3jya n HIS 287 N -1.20 2.49 -0.09 3.10 -0.00 -0.72 -4.90 115.22 113.90 3jya n HIS 287 Ca 0.09 0.43 0.09 0.00 0.46 0.00 0.00 57.72 58.79 3jya n HIS 287 Cb 0.33 -2.41 0.45 0.00 -0.12 0.00 0.00 29.99 28.24 3jya n HIS 287 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3jya h PRO 288 N 1.82 0.51 0.00 1.57 0.11 -1.92 -1.40 132.00 132.70 3jya h PRO 288 Ca -0.51 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 3jya h PRO 288 Cb 1.29 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3jya h PRO 288 CO 0.59 0.34 -0.04 2.35 -0.21 0.00 0.00 178.00 181.03 3jya h TRP 289 N 0.53 0.00 -0.01 0.65 7.01 -1.91 -2.92 115.95 119.31 3jya h TRP 289 Ca 0.26 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.26 3jya h TRP 289 Cb 0.33 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.39 3jya h TRP 289 CO -0.00 0.04 -0.03 -1.33 -2.79 0.00 0.00 178.44 174.33 3jya n MET 290 N -4.31 1.10 -2.29 2.65 2.81 -0.53 -4.94 117.12 111.61 3jya n MET 290 Ca -0.03 -0.37 -0.33 0.00 -1.81 0.00 0.00 57.70 55.17 3jya n MET 290 Cb 0.12 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.12 3jya n MET 290 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3jya s GLN 291 N -2.15 3.68 -1.33 0.03 -1.52 -1.10 -4.12 119.66 113.14 3jya s GLN 291 Ca 0.39 1.12 -0.06 0.00 -1.95 0.00 0.00 55.36 54.86 3jya s GLN 291 Cb 0.21 -2.09 0.02 0.00 -0.22 0.00 0.00 33.01 30.93 3jya s GLN 291 CO 0.39 -0.51 1.07 -0.25 -0.25 0.00 0.00 175.29 175.75 3jya n ASP 292 N -1.64 -4.55 -4.76 5.90 8.00 -1.26 -4.96 116.55 113.28 3jya n ASP 292 Ca 0.08 -0.61 -0.38 0.00 0.71 0.00 0.00 54.79 54.58 3jya n ASP 292 Cb 0.53 -4.85 0.03 0.00 -0.02 0.00 0.00 41.12 36.81 3jya n ASP 292 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3jya s VAL 293 N -3.36 2.22 0.38 2.53 0.11 -1.26 -4.99 120.40 116.04 3jya s VAL 293 Ca 0.38 0.17 -0.26 0.00 -2.93 0.00 0.00 61.98 59.35 3jya s VAL 293 Cb -0.17 -3.09 -0.09 0.00 -1.53 0.00 0.00 36.38 31.50 3jya s VAL 293 CO 0.75 0.00 1.21 -0.76 -3.33 0.00 0.00 175.10 172.98 3jya s LEU 294 N -3.30 4.26 0.70 2.54 1.43 -1.26 -5.04 118.68 118.02 3jya s LEU 294 Ca 0.68 2.46 -0.16 0.00 -1.03 0.00 0.00 54.13 56.08 3jya s LEU 294 Cb -0.39 -3.91 0.02 0.00 0.03 0.00 0.00 46.19 41.94 3jya s LEU 294 CO 0.47 -0.66 1.24 -0.76 0.23 0.00 0.00 176.35 176.88 3jya s LEU 295 N -2.30 3.41 0.21 1.79 1.43 -1.26 -4.83 118.68 117.13 3jya s LEU 295 Ca 0.55 2.47 -0.10 0.00 -1.03 0.00 0.00 54.13 56.02 3jya s LEU 295 Cb -0.34 -4.60 0.29 0.00 0.03 0.00 0.00 46.19 41.57 3jya s LEU 295 CO 0.43 -2.19 1.68 -0.65 0.23 0.00 0.00 176.35 175.85 3jya h PRO 296 N 0.01 0.17 -0.38 1.29 0.11 -1.84 -0.28 132.00 131.09 3jya h PRO 296 Ca -0.49 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 3jya h PRO 296 Cb 1.31 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3jya h PRO 296 CO 0.51 0.12 -0.11 0.37 -0.21 0.00 0.00 178.00 178.67 3jya h GLN 297 N 0.18 0.75 -0.81 1.05 5.75 -1.84 -0.77 115.11 119.42 3jya h GLN 297 Ca 0.31 -0.30 0.16 0.00 -0.15 0.00 0.00 58.65 58.68 3jya h GLN 297 Cb 0.49 -0.04 -0.10 0.00 1.07 0.00 0.00 27.48 28.90 3jya h GLN 297 CO -0.46 0.90 0.35 0.93 -2.65 0.00 0.00 178.83 177.90 3jya h GLU 298 N 0.55 0.45 -0.30 1.69 5.08 -1.85 -0.38 114.58 119.82 3jya h GLU 298 Ca 0.09 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3jya h GLU 298 Cb 0.64 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3jya h GLU 298 CO 0.04 0.30 0.15 1.15 -1.00 0.00 0.00 179.01 179.65 3jya h THR 299 N 0.47 1.15 -0.43 1.13 2.02 -0.41 -1.05 112.91 115.79 3jya h THR 299 Ca 0.46 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 3jya h THR 299 Cb 0.73 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 3jya h THR 299 CO -0.43 0.15 0.09 0.00 0.37 0.00 0.00 175.52 175.71 3jya h ALA 300 N 1.01 0.57 -0.73 6.16 0.00 -0.64 0.03 119.26 125.66 3jya h ALA 300 Ca 0.10 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3jya h ALA 300 Cb 0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3jya h ALA 300 CO -0.01 0.26 0.21 0.93 0.00 0.00 0.00 179.25 180.63 3jya h GLU 301 N 0.56 1.14 0.08 0.00 5.08 -0.98 0.33 114.58 120.80 3jya h GLU 301 Ca 0.13 -0.26 -0.14 0.00 -1.00 0.00 0.00 59.36 58.09 3jya h GLU 301 Cb 0.34 -0.16 0.02 0.00 0.50 0.00 0.00 28.75 29.44 3jya h GLU 301 CO 0.00 0.98 -0.61 0.82 -1.00 0.00 0.00 179.01 179.21 3jya h ILE 302 N 1.09 1.54 0.00 3.13 2.04 -1.16 -3.35 117.51 120.80 3jya h ILE 302 Ca 0.23 -2.36 -0.05 0.00 1.00 0.00 0.00 64.86 63.68 3jya h ILE 302 Cb 0.33 3.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 3jya h ILE 302 CO -0.00 0.66 -1.40 1.41 0.00 0.00 0.00 178.15 178.82 3jya n HIS 303 N -4.24 0.00 0.27 1.37 8.25 -0.01 -4.45 115.22 116.40 3jya n HIS 303 Ca -0.12 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.40 3jya n HIS 303 Cb 0.72 -0.24 0.09 0.00 1.12 0.00 0.00 29.99 31.67 3jya n HIS 303 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3jya n LEU 304 N -1.95 2.31 -2.00 2.41 4.32 -0.20 -5.02 117.00 116.87 3jya n LEU 304 Ca -0.05 -1.33 -0.16 0.00 -0.02 0.00 0.00 56.01 54.44 3jya n LEU 304 Cb 0.40 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.12 3jya n LEU 304 CO 0.16 0.50 -0.14 0.00 -1.22 0.00 0.00 177.39 176.68 3jya n HIS 305 N 0.63 -0.99 0.90 -1.77 1.44 0.10 -4.91 115.22 110.62 3jya n HIS 305 Ca 0.09 0.12 0.07 0.00 -2.01 0.00 0.00 57.72 55.99 3jya n HIS 305 Cb 0.34 -3.42 0.43 0.00 0.12 0.00 0.00 29.99 27.46 3jya n HIS 305 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96