#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jrs s ASP 31 N 0.00 6.33 0.29 -3.46 1.01 -1.26 -4.66 116.67 114.93 3jrs s ASP 31 Ca 0.00 1.35 -0.30 0.00 0.71 0.00 0.00 52.55 54.32 3jrs s ASP 31 Cb 0.00 -2.43 -0.13 0.00 1.01 0.00 0.00 42.92 41.37 3jrs s ASP 31 CO 0.00 -0.74 1.35 0.18 0.21 0.00 0.00 175.17 176.18 3jrs n LEU 32 N -2.34 3.35 -4.72 1.23 4.77 -1.26 -5.02 117.00 113.01 3jrs n LEU 32 Ca 0.05 1.17 -0.29 0.00 -0.03 0.00 0.00 56.01 56.91 3jrs n LEU 32 Cb 0.54 -1.46 0.15 0.00 -2.33 0.00 0.00 43.42 40.32 3jrs n LEU 32 CO 0.54 -0.48 0.67 0.42 -1.33 0.00 0.00 177.39 177.21 3jrs s THR 33 N -0.57 2.38 0.17 -5.08 -4.23 -1.26 -4.75 115.64 102.30 3jrs s THR 33 Ca 0.62 0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 61.11 3jrs s THR 33 Cb -0.60 -2.67 0.05 0.00 1.34 0.00 0.00 72.50 70.62 3jrs s THR 33 CO 0.56 -0.16 1.79 -0.61 -0.54 0.00 0.00 174.62 175.66 3jrs h GLN 34 N -1.65 0.48 -0.35 3.99 4.15 -1.98 0.46 115.11 120.21 3jrs h GLN 34 Ca -0.51 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 58.92 3jrs h GLN 34 Cb 1.31 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.85 3jrs h GLN 34 CO 0.57 0.32 0.11 -0.44 -1.93 0.00 0.00 178.83 177.46 3jrs h ASP 35 N 0.49 0.11 -0.27 -0.69 3.32 -1.99 0.10 116.42 117.50 3jrs h ASP 35 Ca 0.19 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 3jrs h ASP 35 Cb 0.06 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3jrs h ASP 35 CO -0.11 0.10 0.05 -0.33 -1.72 0.00 0.00 179.24 177.23 3jrs h GLU 36 N 0.26 0.44 -0.69 3.56 5.08 -1.84 -2.31 114.58 119.08 3jrs h GLU 36 Ca 0.16 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3jrs h GLU 36 Cb 0.14 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 3jrs h GLU 36 CO -0.17 0.54 0.43 0.35 -1.00 0.00 0.00 179.01 179.16 3jrs h PHE 37 N 0.26 0.79 -0.16 4.33 3.57 0.22 -1.17 116.94 124.79 3jrs h PHE 37 Ca 0.08 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.64 3jrs h PHE 37 Cb 0.31 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 3jrs h PHE 37 CO 0.02 0.45 -0.08 1.15 -2.23 0.00 0.00 178.31 177.61 3jrs h THR 38 N 0.83 0.74 -0.32 4.41 2.02 -0.71 1.00 112.91 120.88 3jrs h THR 38 Ca 0.28 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.36 3jrs h THR 38 Cb 0.04 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3jrs h THR 38 CO -0.12 0.00 -0.21 -0.61 0.37 0.00 0.00 175.52 174.96 3jrs h GLN 39 N -0.06 0.60 -0.00 6.66 4.15 -1.19 -3.14 115.11 122.12 3jrs h GLN 39 Ca 0.09 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.29 3jrs h GLN 39 Cb 0.20 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.85 3jrs h GLN 39 CO -0.20 0.77 -0.31 1.28 -1.93 0.00 0.00 178.83 178.44 3jrs n LEU 40 N -4.13 0.67 -0.36 -2.39 4.32 -0.46 -4.47 117.00 110.18 3jrs n LEU 40 Ca 0.00 -0.07 0.04 0.00 -0.02 0.00 0.00 56.01 55.96 3jrs n LEU 40 Cb 0.40 -0.21 0.20 0.00 -1.62 0.00 0.00 43.42 42.19 3jrs n LEU 40 CO 0.43 0.14 1.26 0.77 -1.22 0.00 0.00 177.39 178.76 3jrs h SER 41 N 0.57 1.00 -0.49 -1.43 4.64 -0.76 -0.03 113.55 117.04 3jrs h SER 41 Ca 0.00 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 3jrs h SER 41 Cb 0.48 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 3jrs h SER 41 CO 0.00 0.62 0.05 1.56 -0.87 0.00 0.00 176.83 178.19 3jrs h GLN 42 N 1.12 0.84 -0.14 4.77 7.50 -1.82 -0.48 115.11 126.90 3jrs h GLN 42 Ca 0.43 -0.24 -0.13 0.00 0.50 0.00 0.00 58.65 59.21 3jrs h GLN 42 Cb 0.22 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.65 3jrs h GLN 42 CO -0.18 0.85 -0.47 0.77 -1.50 0.00 0.00 178.83 178.30 3jrs h SER 43 N 0.71 0.37 -0.32 1.46 0.02 -1.48 -1.03 113.55 113.28 3jrs h SER 43 Ca 0.15 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 3jrs h SER 43 Cb 0.44 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3jrs h SER 43 CO 0.02 0.79 -0.15 0.40 -1.14 0.00 0.00 176.83 176.75 3jrs h ILE 44 N 0.28 1.29 -0.58 3.27 2.04 -0.68 0.19 117.51 123.32 3jrs h ILE 44 Ca 0.02 -1.25 -0.06 0.00 1.00 0.00 0.00 64.86 64.57 3jrs h ILE 44 Cb 0.94 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 3jrs h ILE 44 CO 0.08 0.40 0.14 0.00 0.00 0.00 0.00 178.15 178.77 3jrs h ALA 45 N 0.77 0.76 -0.50 1.87 0.00 -0.88 0.11 119.26 121.40 3jrs h ALA 45 Ca 0.07 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3jrs h ALA 45 Cb 0.68 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3jrs h ALA 45 CO 0.05 0.47 0.07 1.49 0.00 0.00 0.00 179.25 181.33 3jrs h GLU 46 N 0.83 0.84 0.00 0.00 4.81 -0.95 -3.40 114.58 116.71 3jrs h GLU 46 Ca 0.18 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3jrs h GLU 46 Cb 0.36 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 3jrs h GLU 46 CO 0.00 0.84 -1.10 1.19 -0.73 0.00 0.00 179.01 179.21 3jrs n PHE 47 N -4.39 0.00 -0.74 0.92 3.72 0.66 -4.83 117.46 112.79 3jrs n PHE 47 Ca 0.01 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.48 3jrs n PHE 47 Cb 0.27 -0.05 0.09 0.00 -0.94 0.00 0.00 39.48 38.85 3jrs n PHE 47 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3jrs n HIS 48 N -1.62 0.00 -4.16 1.38 8.25 0.37 -4.86 115.22 114.59 3jrs n HIS 48 Ca -0.01 -0.83 -0.30 0.00 -0.26 0.00 0.00 57.72 56.33 3jrs n HIS 48 Cb 0.10 -0.12 -0.08 0.00 1.12 0.00 0.00 29.99 31.01 3jrs n HIS 48 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3jrs s THR 49 N -2.25 3.80 -0.03 1.59 2.01 -1.13 -4.88 115.64 114.75 3jrs s THR 49 Ca 0.21 -1.11 -0.01 0.00 0.31 0.00 0.00 61.69 61.10 3jrs s THR 49 Cb 0.19 -2.81 0.03 0.00 0.01 0.00 0.00 72.50 69.92 3jrs s THR 49 CO 0.02 0.10 0.05 -0.31 -0.69 0.00 0.00 174.62 173.79 3jrs s TYR 50 N -1.31 -0.01 -0.60 4.92 1.51 -1.26 -5.06 117.35 115.54 3jrs s TYR 50 Ca 0.25 0.21 -0.10 0.00 -1.01 0.00 0.00 57.07 56.41 3jrs s TYR 50 Cb -0.11 -0.21 0.15 0.00 -0.11 0.00 0.00 41.96 41.68 3jrs s TYR 50 CO 0.17 -0.11 0.49 -0.65 -1.11 0.00 0.00 175.55 174.34 3jrs s GLN 51 N 1.12 2.85 -0.07 -0.62 1.11 -1.26 -5.01 119.66 117.77 3jrs s GLN 51 Ca -0.09 -2.08 -0.12 0.00 0.01 0.00 0.00 55.36 53.09 3jrs s GLN 51 Cb -0.13 -4.07 -0.05 0.00 -1.01 0.00 0.00 33.01 27.76 3jrs s GLN 51 CO -0.04 -1.23 0.29 -0.51 0.01 0.00 0.00 175.29 173.81 3jrs s LEU 52 N 0.83 4.40 0.62 2.90 1.43 -1.26 -5.11 118.68 122.49 3jrs s LEU 52 Ca 0.10 0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 53.82 3jrs s LEU 52 Cb -0.22 -2.36 -0.00 0.00 0.03 0.00 0.00 46.19 43.64 3jrs s LEU 52 CO -0.03 0.31 0.97 -0.83 0.23 0.00 0.00 176.35 177.00 3jrs s GLY 53 N -0.75 1.60 1.14 -3.19 0.00 -1.26 -5.06 107.32 99.81 3jrs s GLY 53 Ca 0.19 -0.47 -0.18 0.00 0.00 0.00 0.00 44.72 44.26 3jrs s GLY 53 CO 0.08 -0.18 1.15 0.54 0.00 0.00 0.00 173.10 174.69 3jrs s ASN 54 N -4.28 1.50 0.00 1.64 4.22 -1.26 -3.19 114.94 113.57 3jrs s ASN 54 Ca 0.54 0.60 0.00 0.00 -2.14 0.00 0.00 52.86 51.87 3jrs s ASN 54 Cb -0.11 -0.85 0.00 0.00 1.28 0.00 0.00 41.25 41.58 3jrs s ASN 54 CO 0.48 -3.76 0.00 0.61 -2.04 0.00 0.00 177.10 172.39 3jrs n GLY 55 N -1.52 0.27 3.03 0.45 0.00 -1.26 -5.00 105.19 101.15 3jrs n GLY 55 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 3jrs n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jrs s ARG 56 N -1.00 1.03 0.05 1.61 0.52 -1.19 -0.83 118.95 119.13 3jrs s ARG 56 Ca 0.00 -0.36 0.06 0.00 -0.52 0.00 0.00 55.73 54.91 3jrs s ARG 56 Cb 0.00 -0.96 -0.02 0.00 0.52 0.00 0.00 34.95 34.49 3jrs s ARG 56 CO 0.00 0.16 -0.16 0.00 0.02 0.00 0.00 175.30 175.32 3jrs s SER 58 N -1.33 0.87 0.03 0.00 1.04 -1.26 -1.11 113.70 111.93 3jrs s SER 58 Ca 0.02 -1.24 -0.27 0.00 0.48 0.00 0.00 55.95 54.94 3jrs s SER 58 Cb -0.09 0.20 0.09 0.00 0.10 0.00 0.00 66.02 66.32 3jrs s SER 58 CO 0.02 -0.67 0.77 -0.55 0.98 0.00 0.00 173.24 173.80 3jrs s SER 59 N -3.16 -0.48 -0.02 7.02 0.15 -1.05 -4.99 113.70 111.17 3jrs s SER 59 Ca 0.28 0.14 0.03 0.00 0.70 0.00 0.00 55.95 57.10 3jrs s SER 59 Cb 0.07 0.47 -0.00 0.00 -1.71 0.00 0.00 66.02 64.85 3jrs s SER 59 CO 0.06 -0.71 -0.10 -0.22 1.20 0.00 0.00 173.24 173.47 3jrs s LEU 60 N -2.24 1.86 -0.01 3.45 2.96 -1.26 -2.27 118.68 121.17 3jrs s LEU 60 Ca 0.01 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 3jrs s LEU 60 Cb -0.01 -0.57 -0.01 0.00 0.50 0.00 0.00 46.19 46.10 3jrs s LEU 60 CO -0.07 0.09 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.16 3jrs s LEU 61 N 0.06 2.00 0.05 -0.68 1.02 -0.12 -4.99 118.68 116.02 3jrs s LEU 61 Ca -0.01 -0.25 0.09 0.00 0.02 0.00 0.00 54.13 53.98 3jrs s LEU 61 Cb -0.07 -0.71 -0.03 0.00 0.02 0.00 0.00 46.19 45.39 3jrs s LEU 61 CO 0.00 0.16 -0.26 0.00 0.02 0.00 0.00 176.35 176.27 3jrs s ALA 62 N -0.26 2.26 -0.03 4.21 0.00 -1.26 -0.36 121.76 126.33 3jrs s ALA 62 Ca 0.04 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.72 3jrs s ALA 62 Cb -0.06 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.61 3jrs s ALA 62 CO -0.00 0.53 -0.01 -1.14 0.00 0.00 0.00 175.76 175.14 3jrs s GLN 63 N -1.30 0.36 0.01 0.00 2.00 0.12 -4.94 119.66 115.91 3jrs s GLN 63 Ca 0.12 0.02 -0.18 0.00 -2.00 0.00 0.00 55.36 53.32 3jrs s GLN 63 Cb -0.10 -0.48 -0.06 0.00 0.80 0.00 0.00 33.01 33.17 3jrs s GLN 63 CO 0.02 -0.09 0.50 0.50 -0.50 0.00 0.00 175.29 175.72 3jrs s ARG 64 N 0.81 4.12 -0.06 1.67 3.52 -1.26 -0.82 118.95 126.93 3jrs s ARG 64 Ca -0.08 0.57 0.01 0.00 -0.13 0.00 0.00 55.73 56.11 3jrs s ARG 64 Cb -0.12 -3.27 0.02 0.00 -1.56 0.00 0.00 34.95 30.02 3jrs s ARG 64 CO -0.01 0.57 -0.08 0.42 -0.81 0.00 0.00 175.30 175.38 3jrs s ILE 65 N -0.78 0.87 -1.30 4.11 1.01 0.20 -4.98 121.20 120.33 3jrs s ILE 65 Ca 0.27 -0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.50 3jrs s ILE 65 Cb -0.18 -0.83 0.15 0.00 0.01 0.00 0.00 42.46 41.61 3jrs s ILE 65 CO 0.15 0.30 1.89 1.41 0.00 0.00 0.00 174.94 178.70 3jrs n HIS 66 N 4.01 3.23 -3.59 3.97 8.25 -1.26 -0.77 115.22 129.06 3jrs n HIS 66 Ca -0.23 -2.87 -0.10 0.00 -0.26 0.00 0.00 57.72 54.26 3jrs n HIS 66 Cb 0.51 -2.07 -0.03 0.00 1.12 0.00 0.00 29.99 29.52 3jrs n HIS 66 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3jrs s ALA 67 N 0.97 -1.32 0.42 -1.41 0.00 -1.26 -4.75 121.76 114.42 3jrs s ALA 67 Ca 0.41 0.13 -0.23 0.00 0.00 0.00 0.00 51.96 52.27 3jrs s ALA 67 Cb 0.09 0.86 -0.08 0.00 0.00 0.00 0.00 23.12 23.98 3jrs s ALA 67 CO -0.01 -0.81 1.08 -2.14 0.00 0.00 0.00 175.76 173.88 3jrs s PRO 68 N -3.81 4.03 0.55 0.00 0.02 -1.26 -3.66 135.00 130.87 3jrs s PRO 68 Ca 0.05 1.57 0.29 0.00 0.02 0.00 0.00 61.00 62.93 3jrs s PRO 68 Cb -0.02 -2.47 1.61 0.00 0.02 0.00 0.00 34.50 33.64 3jrs s PRO 68 CO -0.07 -0.27 2.15 -1.00 -0.33 0.00 0.00 177.00 177.47 3jrs h PRO 69 N 2.31 0.00 -0.17 5.54 0.13 -1.89 -1.68 132.00 136.25 3jrs h PRO 69 Ca -0.49 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.50 3jrs h PRO 69 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3jrs h PRO 69 CO 0.61 0.07 -0.50 1.49 -0.23 0.00 0.00 178.00 179.44 3jrs h GLU 70 N 0.00 0.45 -0.57 0.86 4.57 -1.99 0.19 114.58 118.09 3jrs h GLU 70 Ca -0.00 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 3jrs h GLU 70 Cb 0.21 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 3jrs h GLU 70 CO 0.01 0.85 0.30 1.15 -1.18 0.00 0.00 179.01 180.15 3jrs h THR 71 N 0.36 1.19 0.27 0.32 2.02 -1.69 -1.19 112.91 114.18 3jrs h THR 71 Ca 0.01 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 3jrs h THR 71 Cb 1.01 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3jrs h THR 71 CO 0.09 0.21 -0.13 0.58 0.37 0.00 0.00 175.52 176.64 3jrs h VAL 72 N 0.77 0.78 -0.98 3.16 2.07 -1.14 -2.84 116.25 118.06 3jrs h VAL 72 Ca 0.20 -0.47 0.19 0.00 0.82 0.00 0.00 66.70 67.44 3jrs h VAL 72 Cb 0.06 1.03 -0.09 0.00 -1.52 0.00 0.00 31.29 30.77 3jrs h VAL 72 CO -0.03 0.10 0.61 -0.25 0.02 0.00 0.00 177.57 178.02 3jrs h TRP 73 N -0.61 0.93 0.00 1.57 2.91 -0.94 -1.34 115.95 118.47 3jrs h TRP 73 Ca -0.04 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.01 3jrs h TRP 73 Cb 0.44 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.81 3jrs h TRP 73 CO 0.01 0.23 0.00 0.66 -1.03 0.00 0.00 178.44 178.31 3jrs h SER 74 N 0.69 0.00 0.04 2.65 4.64 -0.96 -0.53 113.55 120.08 3jrs h SER 74 Ca 0.54 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.56 3jrs h SER 74 Cb 0.95 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 3jrs h SER 74 CO -0.32 0.00 -1.69 0.52 -0.87 0.00 0.00 176.83 174.48 3jrs n VAL 75 N -3.03 1.61 -0.18 0.95 0.31 -0.59 -4.31 118.33 113.09 3jrs n VAL 75 Ca -0.01 -0.29 0.12 0.00 -0.01 0.00 0.00 64.34 64.15 3jrs n VAL 75 Cb 0.19 -1.90 0.44 0.00 -0.91 0.00 0.00 33.84 31.66 3jrs n VAL 75 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3jrs h VAL 76 N -0.60 0.86 0.00 2.52 2.07 -0.86 -2.75 116.25 117.49 3jrs h VAL 76 Ca -0.42 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3jrs h VAL 76 Cb 1.60 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3jrs h VAL 76 CO -0.13 0.10 -0.44 -2.11 0.02 0.00 0.00 177.57 175.02 3jrs n ARG 77 N -4.50 0.04 -2.76 1.57 1.85 -0.25 -4.61 116.66 108.01 3jrs n ARG 77 Ca 0.14 0.01 -0.43 0.00 -1.00 0.00 0.00 57.85 56.57 3jrs n ARG 77 Cb 0.43 -1.53 -0.02 0.00 -1.05 0.00 0.00 32.46 30.30 3jrs n ARG 77 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3jrs s ARG 78 N -3.02 3.78 0.52 2.89 1.81 -1.04 -4.80 118.95 119.10 3jrs s ARG 78 Ca 0.11 -1.81 0.27 0.00 -1.72 0.00 0.00 55.73 52.58 3jrs s ARG 78 Cb 0.17 -5.20 1.45 0.00 -0.45 0.00 0.00 34.95 30.92 3jrs s ARG 78 CO 0.68 -1.99 2.08 0.35 -0.68 0.00 0.00 175.30 175.73 3jrs h PHE 79 N 8.48 0.00 -0.00 -0.53 3.57 -1.88 -0.56 116.94 126.02 3jrs h PHE 79 Ca 0.26 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3jrs h PHE 79 Cb 0.96 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.70 3jrs h PHE 79 CO 1.24 0.11 -0.02 -0.40 -2.23 0.00 0.00 178.31 177.01 3jrs n ASP 80 N -3.66 0.47 -2.63 0.41 3.85 -1.26 -4.19 116.55 109.53 3jrs n ASP 80 Ca -0.02 -1.01 -0.10 0.00 -0.71 0.00 0.00 54.79 52.95 3jrs n ASP 80 Cb 0.23 -0.03 0.03 0.00 -1.35 0.00 0.00 41.12 40.00 3jrs n ASP 80 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3jrs n ARG 81 N -0.70 1.85 0.27 0.11 1.74 -0.22 -4.84 116.66 114.86 3jrs n ARG 81 Ca 0.20 -3.58 0.14 0.00 -0.77 0.00 0.00 57.85 53.84 3jrs n ARG 81 Cb 0.21 -1.58 0.76 0.00 -1.02 0.00 0.00 32.46 30.83 3jrs n ARG 81 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3jrs h PRO 82 N 2.76 0.00 0.00 5.56 0.13 -1.73 -2.74 132.00 135.98 3jrs h PRO 82 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3jrs h PRO 82 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3jrs h PRO 82 CO 0.48 0.10 0.00 -0.56 -0.23 0.00 0.00 178.00 177.79 3jrs h GLN 83 N 0.00 0.00 -0.69 0.86 -0.00 -1.88 -1.40 115.11 112.00 3jrs h GLN 83 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 3jrs h GLN 83 Cb 0.34 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.79 3jrs h GLN 83 CO 0.01 0.00 0.30 0.82 -0.00 0.00 0.00 178.83 179.97 3jrs h ILE 84 N 0.00 1.23 0.00 1.86 1.08 -1.81 -3.35 117.51 116.51 3jrs h ILE 84 Ca 0.00 -0.68 0.00 0.00 -0.39 0.00 0.00 64.86 63.79 3jrs h ILE 84 Cb 0.04 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.17 3jrs h ILE 84 CO 0.00 0.28 0.00 0.00 -0.69 0.00 0.00 178.15 177.74 3jrs n TYR 85 N -4.32 0.00 -2.84 1.37 4.11 -0.99 -4.97 117.16 109.53 3jrs n TYR 85 Ca 0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.54 3jrs n TYR 85 Cb 0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.46 3jrs n TYR 85 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 3jrs s LYS 86 N -0.71 4.24 0.25 -3.48 1.02 -0.57 -4.17 119.74 116.33 3jrs s LYS 86 Ca 0.00 1.06 -0.04 0.00 0.02 0.00 0.00 55.97 57.01 3jrs s LYS 86 Cb 0.00 -3.62 0.39 0.00 -0.52 0.00 0.00 37.83 34.08 3jrs s LYS 86 CO 0.00 -0.46 1.84 1.25 -0.92 0.00 0.00 175.35 177.06 3jrs h HIS 87 N 7.50 0.99 -0.54 3.18 -0.00 -1.87 -2.24 115.15 122.17 3jrs h HIS 87 Ca -0.25 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.15 3jrs h HIS 87 Cb 1.10 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 28.20 3jrs h HIS 87 CO 0.74 0.46 0.00 1.19 -0.00 0.00 0.00 177.93 180.32 3jrs n PHE 88 N -4.64 0.83 -3.61 5.26 3.72 -1.26 -4.94 117.46 112.81 3jrs n PHE 88 Ca 0.14 -0.54 -0.37 0.00 -0.05 0.00 0.00 57.45 56.64 3jrs n PHE 88 Cb 0.23 -0.06 -0.09 0.00 -0.94 0.00 0.00 39.48 38.62 3jrs n PHE 88 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3jrs s ILE 89 N -1.21 5.33 -0.09 4.37 -1.09 -0.84 -0.62 121.20 127.04 3jrs s ILE 89 Ca 0.38 0.29 -0.08 0.00 -2.23 0.00 0.00 60.65 59.01 3jrs s ILE 89 Cb 0.21 -3.54 -0.28 0.00 -1.58 0.00 0.00 42.46 37.27 3jrs s ILE 89 CO 0.24 0.34 0.47 0.50 -1.23 0.00 0.00 174.94 175.26 3jrs h LYS 90 N 7.39 0.31 -3.11 2.79 3.64 -0.63 -3.44 116.57 123.53 3jrs h LYS 90 Ca -0.38 -0.53 0.01 0.00 -1.27 0.00 0.00 60.65 58.48 3jrs h LYS 90 Cb 1.17 0.20 -0.09 0.00 -0.41 0.00 0.00 32.23 33.10 3jrs h LYS 90 CO 0.68 1.25 0.16 -1.54 -2.27 0.00 0.00 179.45 177.73 3jrs s SER 91 N -7.13 -0.34 -0.03 4.20 1.04 -1.18 -4.95 113.70 105.31 3jrs s SER 91 Ca -0.20 -0.41 -0.02 0.00 0.48 0.00 0.00 55.95 55.80 3jrs s SER 91 Cb 0.06 0.65 0.01 0.00 0.10 0.00 0.00 66.02 66.84 3jrs s SER 91 CO 0.80 -1.15 0.07 0.00 0.98 0.00 0.00 173.24 173.94 3jrs s ASN 93 N 0.28 3.22 0.29 0.00 -0.87 -0.14 -5.00 114.94 112.72 3jrs s ASN 93 Ca -0.02 -0.50 0.08 0.00 -1.57 0.00 0.00 52.86 50.85 3jrs s ASN 93 Cb -0.03 -1.20 -0.06 0.00 -0.02 0.00 0.00 41.25 39.94 3jrs s ASN 93 CO -0.01 0.20 -0.09 0.68 -2.57 0.00 0.00 177.10 175.31 3jrs s VAL 94 N 0.12 1.91 0.75 1.60 -7.23 -1.26 -1.36 120.40 114.93 3jrs s VAL 94 Ca -0.11 -2.19 -0.11 0.00 -1.81 0.00 0.00 61.98 57.76 3jrs s VAL 94 Cb -0.16 -2.45 0.04 0.00 0.56 0.00 0.00 36.38 34.37 3jrs s VAL 94 CO 0.06 -0.31 1.08 -0.94 -0.31 0.00 0.00 175.10 174.68 3jrs s SER 95 N -3.48 4.81 0.15 4.85 1.04 -1.26 -4.94 113.70 114.87 3jrs s SER 95 Ca 0.30 1.64 -0.26 0.00 0.48 0.00 0.00 55.95 58.11 3jrs s SER 95 Cb 0.02 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.72 3jrs s SER 95 CO 0.13 -1.81 1.59 -0.08 0.98 0.00 0.00 173.24 174.05 3jrs h GLU 96 N -0.97 -0.34 -2.23 4.02 4.81 -2.03 -2.13 114.58 115.71 3jrs h GLU 96 Ca -0.44 0.02 -0.48 0.00 -0.13 0.00 0.00 59.36 58.32 3jrs h GLU 96 Cb 1.23 0.08 -0.12 0.00 0.63 0.00 0.00 28.75 30.57 3jrs h GLU 96 CO 0.55 -0.23 0.95 -0.40 -0.73 0.00 0.00 179.01 179.16 3jrs n ASP 97 N -5.42 6.71 -4.70 1.04 5.68 -1.26 -4.94 116.55 113.66 3jrs n ASP 97 Ca -0.01 -2.94 -0.42 0.00 -0.50 0.00 0.00 54.79 50.92 3jrs n ASP 97 Cb 0.35 -1.34 -0.03 0.00 -1.14 0.00 0.00 41.12 38.96 3jrs n ASP 97 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3jrs s PHE 98 N -0.49 3.17 -0.05 2.11 5.36 -0.80 -5.02 117.98 122.27 3jrs s PHE 98 Ca 0.61 1.11 0.04 0.00 -0.96 0.00 0.00 56.93 57.73 3jrs s PHE 98 Cb 0.31 -3.51 0.00 0.00 -0.34 0.00 0.00 43.02 39.48 3jrs s PHE 98 CO -0.12 -1.69 -0.15 -1.21 -1.46 0.00 0.00 175.22 170.58 3jrs s GLU 99 N 1.85 1.68 -0.75 10.12 2.02 -1.26 -5.06 118.70 127.29 3jrs s GLU 99 Ca 0.60 -0.54 -0.26 0.00 0.02 0.00 0.00 54.97 54.78 3jrs s GLU 99 Cb -0.29 -1.45 0.03 0.00 0.10 0.00 0.00 34.13 32.53 3jrs s GLU 99 CO 0.26 0.19 1.27 1.41 0.02 0.00 0.00 175.26 178.41 3jrs s MET 100 N 0.16 3.21 -0.05 1.61 -2.45 -1.26 -4.71 119.30 115.82 3jrs s MET 100 Ca -0.06 -0.33 -0.11 0.00 -1.25 0.00 0.00 55.69 53.94 3jrs s MET 100 Cb -0.12 -4.26 0.02 0.00 1.25 0.00 0.00 34.83 31.72 3jrs s MET 100 CO 0.02 -2.14 0.26 1.03 1.05 0.00 0.00 175.02 175.25 3jrs s ARG 101 N 5.59 0.49 0.01 4.11 0.52 -1.26 -5.05 118.95 123.36 3jrs s ARG 101 Ca 0.35 -0.01 -0.39 0.00 -0.52 0.00 0.00 55.73 55.16 3jrs s ARG 101 Cb -0.08 0.22 -0.19 0.00 0.52 0.00 0.00 34.95 35.42 3jrs s ARG 101 CO 0.13 -0.11 1.17 0.28 0.02 0.00 0.00 175.30 176.79 3jrs n VAL 102 N 1.97 0.00 0.00 3.52 0.31 -1.26 -0.30 118.33 122.57 3jrs n VAL 102 Ca -0.18 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3jrs n VAL 102 Cb 0.57 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 3jrs n VAL 102 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3jrs n GLY 103 N 1.91 2.47 3.74 2.92 0.00 0.21 -5.01 105.19 111.43 3jrs n GLY 103 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3jrs n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jrs s THR 105 N -3.01 0.94 0.08 0.00 -4.23 -1.26 -1.18 115.64 106.97 3jrs s THR 105 Ca 0.63 -2.02 -0.12 0.00 -1.18 0.00 0.00 61.69 59.00 3jrs s THR 105 Cb -0.17 -2.33 0.01 0.00 1.34 0.00 0.00 72.50 71.36 3jrs s THR 105 CO 0.56 -0.33 0.27 0.00 -0.54 0.00 0.00 174.62 174.59 3jrs s ARG 106 N -3.88 0.87 -0.14 3.99 1.70 -0.48 -4.72 118.95 116.28 3jrs s ARG 106 Ca 0.28 -0.73 0.02 0.00 -0.47 0.00 0.00 55.73 54.83 3jrs s ARG 106 Cb 0.06 0.37 0.01 0.00 -0.57 0.00 0.00 34.95 34.81 3jrs s ARG 106 CO 0.08 -0.29 -0.20 -0.51 -1.08 0.00 0.00 175.30 173.30 3jrs s ASP 107 N -2.53 3.27 0.02 -2.89 1.01 -0.46 -1.78 116.67 113.31 3jrs s ASP 107 Ca 0.01 -0.56 0.04 0.00 0.71 0.00 0.00 52.55 52.74 3jrs s ASP 107 Cb 0.02 -1.48 -0.03 0.00 1.01 0.00 0.00 42.92 42.43 3jrs s ASP 107 CO -0.08 0.08 -0.06 0.68 0.21 0.00 0.00 175.17 176.00 3jrs s VAL 108 N 0.81 3.70 -0.11 -1.27 -7.23 -0.66 -0.97 120.40 114.67 3jrs s VAL 108 Ca -0.07 -0.82 -0.03 0.00 -1.81 0.00 0.00 61.98 59.25 3jrs s VAL 108 Cb -0.15 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.12 3jrs s VAL 108 CO -0.01 0.35 0.01 0.20 -0.31 0.00 0.00 175.10 175.33 3jrs s ASN 109 N -1.57 5.25 0.44 4.85 0.01 -0.07 -1.99 114.94 121.86 3jrs s ASN 109 Ca 0.18 0.10 -0.09 0.00 -0.71 0.00 0.00 52.86 52.34 3jrs s ASN 109 Cb -0.11 -1.61 -0.06 0.00 0.41 0.00 0.00 41.25 39.88 3jrs s ASN 109 CO 0.09 0.32 0.79 -0.69 -1.51 0.00 0.00 177.10 176.10 3jrs s VAL 110 N -0.51 4.81 0.98 1.60 1.01 -1.18 0.04 120.40 127.15 3jrs s VAL 110 Ca 0.09 0.53 -0.12 0.00 0.00 0.00 0.00 61.98 62.49 3jrs s VAL 110 Cb -0.12 -3.78 0.13 0.00 0.00 0.00 0.00 36.38 32.62 3jrs s VAL 110 CO 0.02 -0.65 0.83 2.30 0.00 0.00 0.00 175.10 177.60 3jrs n ILE 111 N -1.64 0.00 -1.96 2.22 -5.35 0.21 -4.54 119.36 108.30 3jrs n ILE 111 Ca 0.02 -0.14 -0.33 0.00 -0.27 0.00 0.00 62.75 62.03 3jrs n ILE 111 Cb 0.54 -0.86 0.02 0.00 -1.74 0.00 0.00 39.64 37.61 3jrs n ILE 111 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3jrs s SER 112 N -2.36 5.51 0.00 7.28 1.04 -1.26 -3.59 113.70 120.31 3jrs s SER 112 Ca 0.63 1.93 0.00 0.00 0.48 0.00 0.00 55.95 59.00 3jrs s SER 112 Cb -0.22 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.35 3jrs s SER 112 CO 0.62 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 174.10 3jrs n GLY 113 N -0.64 2.95 3.72 7.32 0.00 -1.26 -5.01 105.19 112.26 3jrs n GLY 113 Ca 0.10 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 3jrs n GLY 113 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3jrs n LEU 114 N 0.00 3.87 0.09 0.99 4.77 -1.24 -4.89 117.00 120.60 3jrs n LEU 114 Ca 0.00 1.18 0.01 0.00 -0.03 0.00 0.00 56.01 57.18 3jrs n LEU 114 Cb 0.00 -1.52 0.35 0.00 -2.33 0.00 0.00 43.42 39.92 3jrs n LEU 114 CO 0.00 -0.21 0.86 1.55 -1.33 0.00 0.00 177.39 178.26 3jrs h PRO 115 N 3.53 0.29 -6.74 3.23 0.13 -1.95 -3.44 132.00 127.05 3jrs h PRO 115 Ca -0.47 -0.07 -0.56 0.00 -0.87 0.00 0.00 66.00 64.03 3jrs h PRO 115 Cb 1.26 -0.04 0.10 0.00 0.13 0.00 0.00 31.00 32.45 3jrs h PRO 115 CO 0.70 0.44 0.65 0.00 -0.23 0.00 0.00 178.00 179.56 3jrs n ALA 116 N -2.49 1.64 -0.03 -0.56 0.00 -1.26 -4.95 120.51 112.87 3jrs n ALA 116 Ca -0.00 0.38 -0.02 0.00 0.00 0.00 0.00 53.44 53.79 3jrs n ALA 116 Cb 0.29 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 17.41 3jrs n ALA 116 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3jrs h ASN 117 N 3.53 0.00 -5.25 0.00 -0.00 -1.69 -3.43 115.58 108.73 3jrs h ASN 117 Ca -0.47 0.00 -0.11 0.00 -0.00 0.00 0.00 56.30 55.73 3jrs h ASN 117 Cb 1.26 0.00 -0.13 0.00 -0.00 0.00 0.00 38.32 39.45 3jrs h ASN 117 CO 0.70 0.28 -0.36 0.28 -0.00 0.00 0.00 177.43 178.32 3jrs s THR 118 N -1.46 0.09 -0.03 -3.57 -1.32 -1.26 -3.09 115.64 105.00 3jrs s THR 118 Ca -0.05 -1.39 -0.01 0.00 -1.21 0.00 0.00 61.69 59.03 3jrs s THR 118 Cb 0.01 -1.74 0.02 0.00 -1.51 0.00 0.00 72.50 69.28 3jrs s THR 118 CO 0.08 -0.40 0.06 -0.55 -2.21 0.00 0.00 174.62 171.61 3jrs s SER 119 N -2.95 -0.02 -0.21 8.08 0.15 -0.84 -3.65 113.70 114.26 3jrs s SER 119 Ca 0.15 0.12 -0.06 0.00 0.70 0.00 0.00 55.95 56.87 3jrs s SER 119 Cb 0.04 0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.38 3jrs s SER 119 CO -0.02 -0.09 0.02 -0.60 1.20 0.00 0.00 173.24 173.74 3jrs s ARG 120 N 0.69 3.65 0.04 5.44 6.06 -0.44 -1.65 118.95 132.74 3jrs s ARG 120 Ca -0.05 -0.50 0.03 0.00 -2.50 0.00 0.00 55.73 52.70 3jrs s ARG 120 Cb -0.08 -3.13 -0.02 0.00 0.06 0.00 0.00 34.95 31.78 3jrs s ARG 120 CO -0.02 -0.01 -0.08 -1.21 -2.50 0.00 0.00 175.30 171.47 3jrs s GLU 121 N 1.07 0.56 -0.02 5.12 2.02 -0.73 -0.59 118.70 126.13 3jrs s GLU 121 Ca 0.03 -0.73 0.05 0.00 0.02 0.00 0.00 54.97 54.33 3jrs s GLU 121 Cb -0.14 -0.38 -0.01 0.00 0.10 0.00 0.00 34.13 33.70 3jrs s GLU 121 CO 0.02 0.08 -0.17 0.50 0.02 0.00 0.00 175.26 175.70 3jrs s ARG 122 N -1.46 1.52 -0.18 1.61 3.52 0.56 -1.38 118.95 123.13 3jrs s ARG 122 Ca -0.08 -0.60 -0.29 0.00 -0.13 0.00 0.00 55.73 54.63 3jrs s ARG 122 Cb -0.09 -1.41 -0.00 0.00 -1.56 0.00 0.00 34.95 31.89 3jrs s ARG 122 CO 0.01 0.32 1.11 -1.17 -0.81 0.00 0.00 175.30 174.76 3jrs s LEU 123 N -0.23 4.16 -0.22 -0.88 2.96 -0.33 -1.14 118.68 122.99 3jrs s LEU 123 Ca 0.03 1.52 0.06 0.00 -0.22 0.00 0.00 54.13 55.52 3jrs s LEU 123 Cb -0.08 -3.54 -0.20 0.00 0.50 0.00 0.00 46.19 42.86 3jrs s LEU 123 CO 0.00 -0.66 -0.05 0.47 -1.32 0.00 0.00 176.35 174.79 3jrs n ASP 124 N 6.15 1.43 -4.02 3.68 8.00 0.15 -0.62 116.55 131.33 3jrs n ASP 124 Ca 0.12 -0.04 -0.17 0.00 0.71 0.00 0.00 54.79 55.41 3jrs n ASP 124 Cb 0.46 -0.08 -0.14 0.00 -0.02 0.00 0.00 41.12 41.35 3jrs n ASP 124 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3jrs s LEU 125 N -6.29 2.07 -0.29 0.64 1.43 -1.07 -4.78 118.68 110.39 3jrs s LEU 125 Ca -0.26 -0.24 0.04 0.00 -1.03 0.00 0.00 54.13 52.65 3jrs s LEU 125 Cb 0.08 -0.35 0.19 0.00 0.03 0.00 0.00 46.19 46.14 3jrs s LEU 125 CO 0.69 0.03 0.54 -0.22 0.23 0.00 0.00 176.35 177.62 3jrs s LEU 126 N -0.53 -1.40 -0.30 1.79 0.20 -1.25 -2.69 118.68 114.51 3jrs s LEU 126 Ca 0.00 0.11 0.00 0.00 0.69 0.00 0.00 54.13 54.94 3jrs s LEU 126 Cb -0.05 1.81 0.09 0.00 -0.43 0.00 0.00 46.19 47.62 3jrs s LEU 126 CO 0.00 -0.31 0.07 -0.62 -0.29 0.00 0.00 176.35 175.20 3jrs s ASP 127 N 2.76 4.11 0.42 3.68 -1.08 0.53 -4.98 116.67 122.11 3jrs s ASP 127 Ca 0.11 -1.66 0.29 0.00 -0.52 0.00 0.00 52.55 50.77 3jrs s ASP 127 Cb -0.11 -1.05 1.13 0.00 -1.46 0.00 0.00 42.92 41.43 3jrs s ASP 127 CO -0.26 -0.38 1.85 0.44 0.52 0.00 0.00 175.17 177.33 3jrs h ASP 128 N 7.98 0.00 0.51 -0.34 3.32 -1.97 0.24 116.42 126.16 3jrs h ASP 128 Ca -0.12 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.64 3jrs h ASP 128 Cb 1.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 3jrs h ASP 128 CO 0.47 0.00 -1.59 0.44 -1.72 0.00 0.00 179.24 176.84 3jrs h ASP 129 N 0.00 0.16 0.25 6.45 3.32 -1.96 -3.36 116.42 121.28 3jrs h ASP 129 Ca 0.00 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3jrs h ASP 129 Cb 0.50 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3jrs h ASP 129 CO 0.00 1.24 -1.10 0.54 -1.72 0.00 0.00 179.24 178.20 3jrs n ARG 130 N -3.26 0.22 -3.26 3.56 1.74 -1.13 -4.99 116.66 109.54 3jrs n ARG 130 Ca -0.16 -0.03 -0.14 0.00 -0.77 0.00 0.00 57.85 56.75 3jrs n ARG 130 Cb 1.03 -1.55 0.05 0.00 -1.02 0.00 0.00 32.46 30.98 3jrs n ARG 130 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3jrs n ARG 131 N -1.82 -1.97 -4.53 5.56 1.74 0.80 -4.70 116.66 111.75 3jrs n ARG 131 Ca 0.02 0.96 -0.24 0.00 -0.77 0.00 0.00 57.85 57.82 3jrs n ARG 131 Cb 0.41 -5.64 -0.16 0.00 -1.02 0.00 0.00 32.46 26.05 3jrs n ARG 131 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jrs s VAL 132 N -3.32 1.04 0.24 1.55 1.01 -0.95 -1.79 120.40 118.19 3jrs s VAL 132 Ca 0.37 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 3jrs s VAL 132 Cb -0.06 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 3jrs s VAL 132 CO 0.75 0.33 0.23 0.28 0.00 0.00 0.00 175.10 176.70 3jrs s THR 133 N 0.62 0.00 -0.26 3.92 -1.32 -0.45 -0.35 115.64 117.80 3jrs s THR 133 Ca -0.13 -1.89 -0.34 0.00 -1.21 0.00 0.00 61.69 58.13 3jrs s THR 133 Cb -0.15 -2.47 0.16 0.00 -1.51 0.00 0.00 72.50 68.54 3jrs s THR 133 CO 0.03 0.00 1.31 -0.83 -2.21 0.00 0.00 174.62 172.92 3jrs s GLY 134 N -3.18 -0.12 0.11 6.08 0.00 -1.10 -0.22 107.32 108.90 3jrs s GLY 134 Ca 0.36 2.17 -0.05 0.00 0.00 0.00 0.00 44.72 47.20 3jrs s GLY 134 CO 0.15 0.80 0.14 -0.11 0.00 0.00 0.00 173.10 174.08 3jrs s PHE 135 N -1.73 0.47 0.02 1.90 -0.12 -0.58 -0.67 117.98 117.27 3jrs s PHE 135 Ca 0.10 -0.89 0.08 0.00 -0.05 0.00 0.00 56.93 56.17 3jrs s PHE 135 Cb -0.01 -0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.13 3jrs s PHE 135 CO -0.05 -0.56 -0.24 -1.12 -0.05 0.00 0.00 175.22 173.21 3jrs s SER 136 N -2.95 3.33 -0.37 1.98 0.01 -0.30 -1.10 113.70 114.31 3jrs s SER 136 Ca 0.14 -0.50 -0.20 0.00 1.31 0.00 0.00 55.95 56.69 3jrs s SER 136 Cb 0.06 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.89 3jrs s SER 136 CO -0.05 0.28 0.62 -0.63 0.41 0.00 0.00 173.24 173.87 3jrs s ILE 137 N -0.78 4.90 -0.41 1.44 1.01 0.10 -0.32 121.20 127.13 3jrs s ILE 137 Ca 0.12 0.49 0.23 0.00 0.00 0.00 0.00 60.65 61.48 3jrs s ILE 137 Cb -0.10 -4.08 -0.11 0.00 0.01 0.00 0.00 42.46 38.18 3jrs s ILE 137 CO 0.02 -0.34 0.95 0.35 0.00 0.00 0.00 174.94 175.92 3jrs n THR 138 N 5.60 0.28 -3.66 2.92 -2.24 0.24 -4.11 114.28 113.32 3jrs n THR 138 Ca -0.02 -0.38 -0.01 0.00 -2.27 0.00 0.00 64.05 61.38 3jrs n THR 138 Cb 0.48 -0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.72 3jrs n THR 138 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jrs n GLY 139 N 1.29 0.94 0.00 3.38 0.00 -1.05 -5.00 105.19 104.75 3jrs n GLY 139 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3jrs n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jrs n GLY 140 N -0.29 3.31 3.42 -0.02 0.00 -1.26 -1.32 105.19 109.03 3jrs n GLY 140 Ca -0.00 -1.78 -0.44 0.00 0.00 0.00 0.00 46.02 43.79 3jrs n GLY 140 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jrs s GLU 141 N -3.86 3.54 0.37 1.61 2.02 -1.24 -4.86 118.70 116.28 3jrs s GLU 141 Ca 0.00 -1.82 -0.16 0.00 0.02 0.00 0.00 54.97 53.01 3jrs s GLU 141 Cb 0.00 -4.75 0.06 0.00 0.10 0.00 0.00 34.13 29.53 3jrs s GLU 141 CO 0.00 -1.67 0.80 -3.38 0.02 0.00 0.00 175.26 171.03 3jrs s HIS 142 N 2.29 0.10 -2.38 1.61 -3.43 -1.26 -1.96 115.29 110.26 3jrs s HIS 142 Ca 0.28 -0.75 0.22 0.00 -0.80 0.00 0.00 55.06 54.01 3jrs s HIS 142 Cb -0.08 0.83 0.57 0.00 -1.43 0.00 0.00 32.58 32.47 3jrs s HIS 142 CO -0.07 -1.51 1.46 2.89 -2.00 0.00 0.00 174.74 175.50 3jrs n ARG 143 N -0.54 2.12 -3.02 -0.38 1.85 -1.26 -4.79 116.66 110.63 3jrs n ARG 143 Ca -0.08 -1.69 -0.42 0.00 -1.00 0.00 0.00 57.85 54.65 3jrs n ARG 143 Cb 0.60 -1.45 -0.06 0.00 -1.05 0.00 0.00 32.46 30.50 3jrs n ARG 143 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3jrs s LEU 144 N -1.51 4.26 -0.15 2.89 1.43 -1.26 -4.77 118.68 119.57 3jrs s LEU 144 Ca 0.35 0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.45 3jrs s LEU 144 Cb 0.20 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 3jrs s LEU 144 CO 0.29 -0.76 0.01 -0.60 0.23 0.00 0.00 176.35 175.51 3jrs s ARG 145 N 3.01 3.64 -1.44 1.70 6.06 -1.26 -4.54 118.95 126.12 3jrs s ARG 145 Ca 0.28 -0.43 -0.08 0.00 -2.50 0.00 0.00 55.73 52.99 3jrs s ARG 145 Cb -0.13 -2.99 0.05 0.00 0.06 0.00 0.00 34.95 31.93 3jrs s ARG 145 CO 0.18 0.35 0.86 0.09 -2.50 0.00 0.00 175.30 174.29 3jrs n ASN 146 N 3.23 -3.28 -4.73 -2.12 5.03 -1.26 -1.47 115.26 110.66 3jrs n ASN 146 Ca -0.17 -0.80 -0.41 0.00 0.87 0.00 0.00 54.58 54.06 3jrs n ASN 146 Cb 0.53 -3.93 -0.04 0.00 -1.02 0.00 0.00 39.78 35.32 3jrs n ASN 146 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3jrs s TYR 147 N -3.47 3.79 -0.05 3.10 6.14 -1.26 -4.29 117.35 121.32 3jrs s TYR 147 Ca 0.39 1.78 -0.03 0.00 0.64 0.00 0.00 57.07 59.85 3jrs s TYR 147 Cb -0.20 -3.06 0.02 0.00 0.42 0.00 0.00 41.96 39.15 3jrs s TYR 147 CO 0.83 0.19 0.12 0.21 0.64 0.00 0.00 175.55 177.54 3jrs s LYS 148 N 0.10 0.11 0.19 4.97 2.20 0.01 -0.73 119.74 126.59 3jrs s LYS 148 Ca 0.47 0.25 0.03 0.00 -0.36 0.00 0.00 55.97 56.36 3jrs s LYS 148 Cb -0.23 -0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 35.99 3jrs s LYS 148 CO 0.29 -0.09 -0.02 -1.54 -0.36 0.00 0.00 175.35 173.64 3jrs s SER 149 N 0.59 1.52 -0.02 1.43 1.04 -0.26 -0.66 113.70 117.34 3jrs s SER 149 Ca -0.04 -1.16 0.01 0.00 0.48 0.00 0.00 55.95 55.24 3jrs s SER 149 Cb -0.06 0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.13 3jrs s SER 149 CO -0.03 -0.51 -0.02 -0.69 0.98 0.00 0.00 173.24 172.98 3jrs s VAL 150 N -3.52 0.24 -0.09 5.02 1.01 -0.72 -1.53 120.40 120.81 3jrs s VAL 150 Ca 0.24 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.20 3jrs s VAL 150 Cb 0.05 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.18 3jrs s VAL 150 CO 0.05 0.11 -0.18 -0.89 0.00 0.00 0.00 175.10 174.19 3jrs s THR 151 N 0.41 1.63 0.05 3.92 2.01 0.70 -1.71 115.64 122.64 3jrs s THR 151 Ca -0.04 -0.76 0.07 0.00 0.31 0.00 0.00 61.69 61.27 3jrs s THR 151 Cb -0.07 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 3jrs s THR 151 CO -0.01 0.46 -0.18 0.42 -0.69 0.00 0.00 174.62 174.63 3jrs s THR 152 N 0.57 1.46 -0.13 -0.82 -4.23 -0.26 -1.34 115.64 110.89 3jrs s THR 152 Ca -0.15 -1.20 0.02 0.00 -1.18 0.00 0.00 61.69 59.17 3jrs s THR 152 Cb -0.17 -1.30 0.01 0.00 1.34 0.00 0.00 72.50 72.39 3jrs s THR 152 CO 0.05 0.06 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.33 3jrs s VAL 153 N -0.91 1.69 0.04 2.29 1.01 -0.74 -0.71 120.40 123.07 3jrs s VAL 153 Ca 0.05 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.33 3jrs s VAL 153 Cb -0.09 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 3jrs s VAL 153 CO 0.02 0.48 -0.17 -1.00 0.00 0.00 0.00 175.10 174.43 3jrs s HIS 154 N 1.01 1.46 -0.14 5.22 3.76 0.34 -4.77 115.29 122.17 3jrs s HIS 154 Ca -0.05 -0.35 -0.09 0.00 -0.15 0.00 0.00 55.06 54.42 3jrs s HIS 154 Cb -0.15 -0.87 -0.04 0.00 1.11 0.00 0.00 32.58 32.63 3jrs s HIS 154 CO -0.03 0.05 0.16 0.50 -0.85 0.00 0.00 174.74 174.57 3jrs s ARG 155 N -1.10 3.72 0.10 1.40 3.52 -1.26 -1.37 118.95 123.96 3jrs s ARG 155 Ca 0.04 -0.11 0.06 0.00 -0.13 0.00 0.00 55.73 55.60 3jrs s ARG 155 Cb -0.08 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 30.01 3jrs s ARG 155 CO 0.01 0.61 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.90 3jrs s PHE 156 N -0.57 1.43 -0.02 5.12 0.40 0.12 -4.95 117.98 119.50 3jrs s PHE 156 Ca 0.14 -0.48 0.01 0.00 -0.60 0.00 0.00 56.93 55.99 3jrs s PHE 156 Cb -0.12 -0.78 0.02 0.00 0.51 0.00 0.00 43.02 42.65 3jrs s PHE 156 CO 0.03 0.13 -0.01 -2.00 0.70 0.00 0.00 175.22 174.07 3jrs s GLU 157 N -2.10 0.24 -0.21 0.44 2.12 -1.26 -0.90 118.70 117.04 3jrs s GLU 157 Ca 0.04 0.03 -0.03 0.00 0.36 0.00 0.00 54.97 55.37 3jrs s GLU 157 Cb -0.08 -0.37 -0.00 0.00 0.26 0.00 0.00 34.13 33.94 3jrs s GLU 157 CO 0.03 -0.07 -0.08 0.42 -0.54 0.00 0.00 175.26 175.02 3jrs s ILE 165 N 0.66 3.06 0.26 -3.70 1.01 -1.26 -5.24 121.20 115.99 3jrs s ILE 165 Ca -0.06 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3jrs s ILE 165 Cb -0.09 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 3jrs s ILE 165 CO -0.01 0.45 0.10 -1.66 0.00 0.00 0.00 174.94 173.82 3jrs s TRP 166 N 1.42 1.55 0.05 3.97 -2.14 -0.08 -4.45 118.94 119.26 3jrs s TRP 166 Ca 0.05 -1.20 0.08 0.00 2.66 0.00 0.00 56.10 57.70 3jrs s TRP 166 Cb -0.14 -0.90 -0.03 0.00 -3.10 0.00 0.00 33.47 29.31 3jrs s TRP 166 CO -0.06 -0.35 -0.23 0.99 -2.66 0.00 0.00 176.95 174.64 3jrs s THR 167 N -3.74 1.89 -0.09 0.66 2.01 0.05 0.10 115.64 116.53 3jrs s THR 167 Ca 0.37 -1.31 0.04 0.00 0.31 0.00 0.00 61.69 61.11 3jrs s THR 167 Cb 0.08 -1.63 -0.00 0.00 0.01 0.00 0.00 72.50 70.95 3jrs s THR 167 CO 0.14 0.26 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.41 3jrs s VAL 168 N -0.82 1.92 -0.16 3.82 1.01 -0.47 0.62 120.40 126.32 3jrs s VAL 168 Ca 0.09 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 3jrs s VAL 168 Cb -0.09 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3jrs s VAL 168 CO 0.02 0.53 -0.00 -0.69 0.00 0.00 0.00 175.10 174.96 3jrs s VAL 169 N 0.28 4.20 -0.05 2.92 1.01 -0.00 -0.51 120.40 128.25 3jrs s VAL 169 Ca -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3jrs s VAL 169 Cb -0.17 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3jrs s VAL 169 CO 0.07 0.49 -0.02 -0.76 0.00 0.00 0.00 175.10 174.88 3jrs s LEU 170 N 0.30 3.43 -0.05 3.92 1.43 0.11 -0.71 118.68 127.12 3jrs s LEU 170 Ca -0.01 0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 3jrs s LEU 170 Cb -0.13 -1.84 0.04 0.00 0.03 0.00 0.00 46.19 44.28 3jrs s LEU 170 CO 0.02 0.34 0.11 -0.70 0.23 0.00 0.00 176.35 176.35 3jrs s GLU 171 N -1.09 0.05 0.25 1.70 2.12 0.51 -1.10 118.70 121.13 3jrs s GLU 171 Ca 0.15 0.33 0.04 0.00 0.36 0.00 0.00 54.97 55.86 3jrs s GLU 171 Cb -0.11 -0.22 -0.05 0.00 0.26 0.00 0.00 34.13 34.01 3jrs s GLU 171 CO 0.05 -0.18 -0.02 -1.54 -0.54 0.00 0.00 175.26 173.03 3jrs s SER 172 N 1.25 2.11 0.15 -1.70 1.04 -0.70 -0.95 113.70 114.90 3jrs s SER 172 Ca -0.08 -1.22 -0.10 0.00 0.48 0.00 0.00 55.95 55.03 3jrs s SER 172 Cb -0.12 -0.04 -0.00 0.00 0.10 0.00 0.00 66.02 65.96 3jrs s SER 172 CO -0.05 -0.47 0.30 -0.72 0.98 0.00 0.00 173.24 173.28 3jrs s TYR 173 N -3.30 0.25 0.05 5.02 1.13 -0.96 -1.76 117.35 117.78 3jrs s TYR 173 Ca 0.29 -0.62 0.05 0.00 -1.41 0.00 0.00 57.07 55.38 3jrs s TYR 173 Cb 0.05 0.01 -0.02 0.00 -1.10 0.00 0.00 41.96 40.90 3jrs s TYR 173 CO 0.10 -0.71 -0.14 0.54 -2.51 0.00 0.00 175.55 172.83 3jrs s VAL 174 N -3.93 1.14 0.14 -3.49 0.11 0.17 -2.53 120.40 112.01 3jrs s VAL 174 Ca 0.13 -1.10 -0.18 0.00 -2.93 0.00 0.00 61.98 57.89 3jrs s VAL 174 Cb 0.03 -1.05 0.05 0.00 -1.53 0.00 0.00 36.38 33.87 3jrs s VAL 174 CO -0.03 -0.06 0.48 0.54 -3.33 0.00 0.00 175.10 172.70 3jrs s VAL 175 N -0.97 0.04 0.51 2.04 0.11 -0.27 -0.81 120.40 121.06 3jrs s VAL 175 Ca 0.01 -0.40 -0.19 0.00 -2.93 0.00 0.00 61.98 58.48 3jrs s VAL 175 Cb -0.09 -1.14 -0.07 0.00 -1.53 0.00 0.00 36.38 33.55 3jrs s VAL 175 CO 0.02 -0.20 1.03 -1.81 -3.33 0.00 0.00 175.10 170.81 3jrs s ASP 176 N -2.79 6.28 -0.09 3.54 1.01 -0.54 -0.44 116.67 123.63 3jrs s ASP 176 Ca 0.03 1.82 -0.19 0.00 0.71 0.00 0.00 52.55 54.92 3jrs s ASP 176 Cb 0.01 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 3jrs s ASP 176 CO -0.12 -0.82 0.53 0.68 0.21 0.00 0.00 175.17 175.65 3jrs s VAL 177 N -2.22 5.13 -0.65 -1.27 -7.23 -0.01 -4.60 120.40 109.54 3jrs s VAL 177 Ca 0.65 1.08 -0.26 0.00 -1.81 0.00 0.00 61.98 61.64 3jrs s VAL 177 Cb -0.15 -3.87 -0.06 0.00 0.56 0.00 0.00 36.38 32.86 3jrs s VAL 177 CO 0.26 0.33 2.17 -2.84 -0.31 0.00 0.00 175.10 174.70 3jrs s PRO 178 N 0.54 2.23 -0.20 4.82 0.02 -1.26 -4.92 135.00 136.23 3jrs s PRO 178 Ca 0.29 0.72 -0.22 0.00 0.02 0.00 0.00 61.00 61.81 3jrs s PRO 178 Cb -0.16 -4.64 -0.09 0.00 0.02 0.00 0.00 34.50 29.63 3jrs s PRO 178 CO 0.13 -3.35 0.71 0.39 -0.33 0.00 0.00 177.00 174.55 3jrs n GLU 179 N 9.01 0.00 0.00 5.54 -0.58 -1.26 0.27 120.64 133.61 3jrs n GLU 179 Ca 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 3jrs n GLU 179 Cb 0.51 -0.70 0.00 0.00 -0.57 0.00 0.00 31.44 30.67 3jrs n GLU 179 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3jrs n GLY 180 N 1.70 2.65 3.73 0.62 0.00 -1.26 -5.08 105.19 107.55 3jrs n GLY 180 Ca 0.14 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 3jrs n GLY 180 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jrs s ASN 181 N 0.10 5.16 0.68 1.61 -0.87 0.75 -5.11 114.94 117.26 3jrs s ASN 181 Ca 0.00 -0.24 -0.11 0.00 -1.57 0.00 0.00 52.86 50.94 3jrs s ASN 181 Cb 0.00 -1.24 -0.00 0.00 -0.02 0.00 0.00 41.25 39.98 3jrs s ASN 181 CO 0.00 0.09 1.05 -0.94 -2.57 0.00 0.00 177.10 174.74 3jrs s SER 182 N -2.91 5.55 0.17 -1.22 1.04 -1.26 -4.59 113.70 110.47 3jrs s SER 182 Ca 0.29 1.59 -0.12 0.00 0.48 0.00 0.00 55.95 58.19 3jrs s SER 182 Cb -0.10 -2.49 0.07 0.00 0.10 0.00 0.00 66.02 63.60 3jrs s SER 182 CO 0.21 -1.33 1.72 1.05 0.98 0.00 0.00 173.24 175.88 3jrs h GLU 183 N -0.58 0.87 -0.88 4.02 -0.00 -1.98 -2.93 114.58 113.09 3jrs h GLU 183 Ca -0.44 -0.16 0.07 0.00 -0.00 0.00 0.00 59.36 58.83 3jrs h GLU 183 Cb 1.21 -0.14 -0.06 0.00 -0.00 0.00 0.00 28.75 29.75 3jrs h GLU 183 CO 0.58 0.75 0.55 0.93 -0.00 0.00 0.00 179.01 181.81 3jrs h GLU 184 N 0.80 0.96 -0.00 1.06 3.07 -1.99 0.22 114.58 118.70 3jrs h GLU 184 Ca 0.19 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 58.84 3jrs h GLU 184 Cb 0.20 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 3jrs h GLU 184 CO -0.02 0.63 -0.75 -0.44 -1.40 0.00 0.00 179.01 177.04 3jrs h ASP 185 N 0.99 0.04 0.05 1.42 3.32 -1.94 -0.44 116.42 119.87 3jrs h ASP 185 Ca 0.39 -0.03 -0.24 0.00 0.02 0.00 0.00 57.03 57.17 3jrs h ASP 185 Cb 0.20 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.74 3jrs h ASP 185 CO -0.18 0.77 -0.91 0.74 -1.72 0.00 0.00 179.24 177.94 3jrs h THR 186 N 0.02 1.31 -0.43 0.35 2.02 -0.93 -1.86 112.91 113.40 3jrs h THR 186 Ca -0.01 -2.19 -0.13 0.00 0.77 0.00 0.00 66.41 64.84 3jrs h THR 186 Cb 1.32 2.23 -0.01 0.00 -1.74 0.00 0.00 68.15 69.95 3jrs h THR 186 CO 0.10 0.68 -0.26 -0.09 0.37 0.00 0.00 175.52 176.32 3jrs h ARG 187 N 0.40 0.93 -0.05 6.66 2.43 -0.48 -1.84 114.38 122.41 3jrs h ARG 187 Ca -0.09 -0.43 0.04 0.00 -0.81 0.00 0.00 59.98 58.69 3jrs h ARG 187 Cb 1.54 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 31.03 3jrs h ARG 187 CO 0.17 1.09 -0.25 1.25 -1.51 0.00 0.00 179.97 180.72 3jrs h LEU 188 N 0.76 -0.76 -0.12 3.80 5.85 -1.04 -0.02 115.31 123.78 3jrs h LEU 188 Ca 0.09 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.95 3jrs h LEU 188 Cb 0.84 0.32 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 3jrs h LEU 188 CO 0.07 -0.31 -0.08 0.15 -0.34 0.00 0.00 178.44 177.93 3jrs h PHE 189 N -0.36 -0.20 -0.20 1.25 3.57 -1.14 0.36 116.94 120.21 3jrs h PHE 189 Ca 0.08 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.44 3jrs h PHE 189 Cb 0.47 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.32 3jrs h PHE 189 CO -0.31 -0.13 -0.49 0.00 -2.23 0.00 0.00 178.31 175.15 3jrs h ALA 190 N 1.01 0.33 -0.78 2.41 0.00 -1.25 -2.09 119.26 118.89 3jrs h ALA 190 Ca 0.08 -0.49 0.09 0.00 0.00 0.00 0.00 54.91 54.59 3jrs h ALA 190 Cb 0.20 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 3jrs h ALA 190 CO -0.18 0.50 0.42 -0.44 0.00 0.00 0.00 179.25 179.55 3jrs h ASP 191 N 0.38 0.59 -0.24 0.00 5.19 -0.91 -0.07 116.42 121.36 3jrs h ASP 191 Ca -0.00 0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.42 3jrs h ASP 191 Cb 1.10 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.54 3jrs h ASP 191 CO 0.11 0.34 0.00 0.74 -3.12 0.00 0.00 179.24 177.31 3jrs h THR 192 N 0.71 1.25 -0.38 0.35 2.02 -0.68 0.16 112.91 116.34 3jrs h THR 192 Ca 0.38 -0.89 0.03 0.00 0.77 0.00 0.00 66.41 66.70 3jrs h THR 192 Cb 0.36 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 3jrs h THR 192 CO -0.25 0.28 0.18 0.58 0.37 0.00 0.00 175.52 176.67 3jrs h VAL 193 N 0.19 0.96 -0.50 3.16 2.07 -1.12 -0.55 116.25 120.46 3jrs h VAL 193 Ca 0.07 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 3jrs h VAL 193 Cb 0.40 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3jrs h VAL 193 CO 0.01 0.07 0.07 0.40 0.02 0.00 0.00 177.57 178.14 3jrs h ILE 194 N 0.37 1.25 -0.22 4.57 2.04 -0.83 0.03 117.51 124.72 3jrs h ILE 194 Ca 0.16 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 3jrs h ILE 194 Cb 0.09 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3jrs h ILE 194 CO -0.12 0.34 0.11 -0.09 0.00 0.00 0.00 178.15 178.38 3jrs h ARG 195 N 0.72 0.32 -0.71 2.37 9.65 -0.67 0.71 114.38 126.77 3jrs h ARG 195 Ca 0.15 -0.05 0.10 0.00 -1.10 0.00 0.00 59.98 59.08 3jrs h ARG 195 Cb 0.42 -0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 28.87 3jrs h ARG 195 CO 0.01 0.33 0.35 -0.07 2.80 0.00 0.00 179.97 183.39 3jrs h LEU 196 N 0.23 0.44 -0.67 3.80 3.38 -0.94 -0.30 115.31 121.25 3jrs h LEU 196 Ca 0.08 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3jrs h LEU 196 Cb 0.12 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3jrs h LEU 196 CO -0.01 0.25 0.41 0.78 0.09 0.00 0.00 178.44 179.96 3jrs h ASN 197 N 0.59 0.79 0.38 -0.43 2.35 0.14 -1.01 115.58 118.38 3jrs h ASN 197 Ca 0.36 -0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.91 3jrs h ASN 197 Cb 0.39 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3jrs h ASN 197 CO -0.28 0.61 -0.60 -0.07 -1.65 0.00 0.00 177.43 175.44 3jrs h LEU 198 N 0.91 0.25 -0.71 1.61 3.38 -0.58 -0.28 115.31 119.89 3jrs h LEU 198 Ca 0.24 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3jrs h LEU 198 Cb -0.05 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3jrs h LEU 198 CO -0.05 0.79 0.15 1.56 0.09 0.00 0.00 178.44 180.98 3jrs h GLN 199 N 0.17 1.13 -0.50 1.13 4.20 -0.81 -0.11 115.11 120.32 3jrs h GLN 199 Ca -0.01 -0.28 -0.08 0.00 0.06 0.00 0.00 58.65 58.34 3jrs h GLN 199 Cb 1.09 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.71 3jrs h GLN 199 CO 0.09 1.01 -0.02 -0.22 -0.67 0.00 0.00 178.83 179.02 3jrs h LYS 200 N 1.06 0.89 -0.42 1.46 3.64 -0.90 -0.91 116.57 121.39 3jrs h LYS 200 Ca 0.22 -0.29 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3jrs h LYS 200 Cb 0.40 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 3jrs h LYS 200 CO 0.01 0.93 0.23 1.25 -2.27 0.00 0.00 179.45 179.60 3jrs h LEU 201 N 0.75 0.36 -0.29 5.20 5.85 -0.93 0.21 115.31 126.46 3jrs h LEU 201 Ca 0.14 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.92 3jrs h LEU 201 Cb 0.54 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 3jrs h LEU 201 CO 0.03 0.26 -0.04 0.00 -0.34 0.00 0.00 178.44 178.35 3jrs h ALA 202 N 1.20 0.22 -0.50 1.25 0.00 -0.78 -1.22 119.26 119.44 3jrs h ALA 202 Ca 0.17 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 3jrs h ALA 202 Cb 0.04 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3jrs h ALA 202 CO -0.10 -0.44 -0.18 0.66 0.00 0.00 0.00 179.25 179.19 3jrs h SER 203 N 0.04 1.02 0.27 0.00 4.64 -0.88 0.13 113.55 118.77 3jrs h SER 203 Ca 0.14 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3jrs h SER 203 Cb 0.20 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 3jrs h SER 203 CO -0.27 1.18 -0.25 0.40 -0.87 0.00 0.00 176.83 177.02 3jrs h ILE 204 N 0.87 0.46 -0.14 0.95 1.08 -0.93 -1.66 117.51 118.13 3jrs h ILE 204 Ca 0.12 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 64.43 3jrs h ILE 204 Cb 0.76 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 3jrs h ILE 204 CO 0.06 0.00 -0.57 0.71 -0.69 0.00 0.00 178.15 177.66 3jrs h THR 205 N -0.55 1.34 -0.11 -0.27 1.35 -1.13 -2.39 112.91 111.16 3jrs h THR 205 Ca -0.01 -1.86 -0.07 0.00 -0.55 0.00 0.00 66.41 63.92 3jrs h THR 205 Cb 0.50 1.86 -0.01 0.00 -1.73 0.00 0.00 68.15 68.77 3jrs h THR 205 CO -0.05 0.57 -0.25 -0.33 -0.25 0.00 0.00 175.52 175.20 3jrs h GLU 206 N 0.33 0.19 0.00 4.72 5.08 -0.70 -2.23 114.58 121.97 3jrs h GLU 206 Ca 0.00 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3jrs h GLU 206 Cb 1.10 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 3jrs h GLU 206 CO 0.10 0.44 -0.26 0.00 -1.00 0.00 0.00 179.01 178.28 3jrs h ALA 207 N 1.57 1.12 0.00 3.43 0.00 -0.83 -3.26 119.26 121.29 3jrs h ALA 207 Ca 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3jrs h ALA 207 Cb 0.55 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3jrs h ALA 207 CO 0.04 0.33 -0.09 0.52 0.00 0.00 0.00 179.25 180.05 3jrs h MET 208 N 0.00 0.00 0.00 0.00 2.86 -0.92 -3.51 114.93 113.36 3jrs h MET 208 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3jrs h MET 208 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 3jrs h MET 208 CO 0.03 0.09 0.00 0.09 1.06 0.00 0.00 176.91 178.18