#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ksj s GLU 16 N 0.00 3.42 -0.06 -0.14 2.02 -1.26 -4.62 118.70 118.06 1ksj s GLU 16 Ca 0.00 1.85 0.01 0.00 0.02 0.00 0.00 54.97 56.84 1ksj s GLU 16 Cb 0.00 -2.22 -0.03 0.00 0.10 0.00 0.00 34.13 31.98 1ksj s GLU 16 CO 0.00 -0.85 -0.06 -0.51 0.02 0.00 0.00 175.26 173.86 1ksj s LEU 17 N -3.45 3.22 -0.29 1.80 1.43 0.42 -5.00 118.68 116.80 1ksj s LEU 17 Ca 0.69 -0.01 -0.09 0.00 -1.03 0.00 0.00 54.13 53.69 1ksj s LEU 17 Cb -0.30 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 1ksj s LEU 17 CO 0.36 0.36 0.12 -0.60 0.23 0.00 0.00 176.35 176.81 1ksj s ARG 18 N -0.88 3.39 -0.07 1.70 3.52 -1.26 -0.57 118.95 124.78 1ksj s ARG 18 Ca 0.13 -0.67 -0.00 0.00 -0.13 0.00 0.00 55.73 55.05 1ksj s ARG 18 Cb -0.11 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.77 1ksj s ARG 18 CO 0.02 -0.36 -0.03 -0.51 -0.81 0.00 0.00 175.30 173.61 1ksj s LEU 19 N 1.60 3.39 0.00 -0.88 1.43 -0.34 -0.68 118.68 123.19 1ksj s LEU 19 Ca 0.05 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1ksj s LEU 19 Cb -0.17 -1.78 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 1ksj s LEU 19 CO 0.05 0.36 0.02 -0.11 0.23 0.00 0.00 176.35 176.91 1ksj n LEU 20 N 2.11 0.00 0.00 1.79 7.94 -0.01 -1.56 117.00 127.26 1ksj n LEU 20 Ca -0.18 -3.02 0.00 0.00 -1.11 0.00 0.00 56.01 51.70 1ksj n LEU 20 Cb 0.53 0.45 0.00 0.00 0.53 0.00 0.00 43.42 44.94 1ksj n LEU 20 CO 0.28 -0.43 0.00 0.18 -1.11 0.00 0.00 177.39 176.31 1ksj n LEU 22 N 0.00 0.00 0.00 -1.96 4.77 -0.43 -0.53 117.00 118.85 1ksj n LEU 22 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1ksj n LEU 22 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1ksj n LEU 22 CO 0.32 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1ksj n GLY 23 N -1.37 -2.33 3.81 -0.72 0.00 -1.26 -0.80 105.19 102.52 1ksj n GLY 23 Ca 0.00 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 1ksj n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ksj s LEU 24 N 0.00 3.65 0.49 0.99 1.43 -1.26 -4.42 118.68 119.57 1ksj s LEU 24 Ca 0.00 1.79 -0.21 0.00 -1.03 0.00 0.00 54.13 54.68 1ksj s LEU 24 Cb 0.00 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.59 1ksj s LEU 24 CO 0.00 -0.88 0.74 -0.90 0.23 0.00 0.00 176.35 175.54 1ksj n ASP 25 N -1.54 -0.06 0.00 2.29 5.68 -0.75 -2.04 116.55 120.13 1ksj n ASP 25 Ca 0.08 0.88 0.00 0.00 -0.50 0.00 0.00 54.79 55.25 1ksj n ASP 25 Cb 0.53 -1.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.27 1ksj n ASP 25 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1ksj n ASN 26 N 0.50 -2.32 -0.20 -1.12 5.15 -1.26 -4.92 115.26 111.10 1ksj n ASN 26 Ca 0.11 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 54.00 1ksj n ASN 26 Cb 0.43 -1.00 0.02 0.00 -0.53 0.00 0.00 39.78 38.70 1ksj n ASN 26 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ksj h ALA 27 N 0.00 0.76 0.00 5.20 0.00 -1.75 -3.46 119.26 120.01 1ksj h ALA 27 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1ksj h ALA 27 Cb 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ksj h ALA 27 CO 0.00 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1ksj n GLY 28 N -0.37 0.09 0.45 0.00 0.00 -1.26 -4.18 105.19 99.92 1ksj n GLY 28 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1ksj n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ksj h LYS 29 N 0.00 -0.32 -0.46 1.61 1.57 -1.92 0.07 116.57 117.12 1ksj h LYS 29 Ca 0.00 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1ksj h LYS 29 Cb 0.00 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1ksj h LYS 29 CO 0.00 -0.21 0.10 1.15 -0.57 0.00 0.00 179.45 179.92 1ksj h THR 30 N -0.33 1.21 -0.20 -0.16 2.02 -1.98 -1.27 112.91 112.20 1ksj h THR 30 Ca 0.09 -0.74 -0.09 0.00 0.77 0.00 0.00 66.41 66.43 1ksj h THR 30 Cb 0.56 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1ksj h THR 30 CO -0.66 0.27 -0.29 0.74 0.37 0.00 0.00 175.52 175.96 1ksj h THR 31 N 0.67 1.27 -0.15 3.16 2.02 -1.76 -2.14 112.91 115.98 1ksj h THR 31 Ca 0.15 -1.29 -0.07 0.00 0.77 0.00 0.00 66.41 65.97 1ksj h THR 31 Cb 0.27 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1ksj h THR 31 CO -0.00 0.40 -0.19 0.40 0.37 0.00 0.00 175.52 176.50 1ksj h ILE 32 N 0.34 1.35 -0.46 3.11 2.04 -0.56 -1.00 117.51 122.34 1ksj h ILE 32 Ca 0.05 -1.38 -0.04 0.00 1.00 0.00 0.00 64.86 64.49 1ksj h ILE 32 Cb 0.68 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 1ksj h ILE 32 CO 0.05 0.41 0.12 0.25 0.00 0.00 0.00 178.15 178.98 1ksj h LEU 33 N 0.02 0.62 0.05 1.44 5.85 -1.15 -1.30 115.31 120.84 1ksj h LEU 33 Ca 0.02 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1ksj h LEU 33 Cb 0.74 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1ksj h LEU 33 CO 0.04 0.61 -0.02 0.11 -0.34 0.00 0.00 178.44 178.84 1ksj h LYS 34 N 0.66 -0.06 -0.76 1.25 1.57 -1.38 -3.16 116.57 114.69 1ksj h LYS 34 Ca 0.15 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.06 1ksj h LYS 34 Cb 0.23 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.47 1ksj h LYS 34 CO -0.01 0.50 0.36 -0.22 -0.57 0.00 0.00 179.45 179.52 1ksj h LYS 35 N -0.94 0.55 -0.22 3.15 1.63 -1.21 0.11 116.57 119.64 1ksj h LYS 35 Ca -0.01 -0.03 0.06 0.00 -0.85 0.00 0.00 60.65 59.83 1ksj h LYS 35 Cb 0.59 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 1ksj h LYS 35 CO 0.01 0.36 0.21 0.35 -3.45 0.00 0.00 179.45 176.93 1ksj h PHE 36 N 0.57 0.00 -0.59 1.91 3.57 -1.34 0.18 116.94 121.24 1ksj h PHE 36 Ca 0.40 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.90 1ksj h PHE 36 Cb 0.52 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1ksj h PHE 36 CO -0.12 0.00 0.00 -1.71 -2.23 0.00 0.00 178.31 174.25 1ksj n ASN 37 N -4.03 3.29 -1.76 0.41 5.15 0.31 -4.94 115.26 113.70 1ksj n ASN 37 Ca 0.02 -2.05 -0.14 0.00 -0.60 0.00 0.00 54.58 51.81 1ksj n ASN 37 Cb 0.34 -0.41 0.00 0.00 -0.53 0.00 0.00 39.78 39.18 1ksj n ASN 37 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ksj n GLY 38 N 1.38 -0.18 3.80 8.20 0.00 0.62 -5.03 105.19 113.99 1ksj n GLY 38 Ca 0.20 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 1ksj n GLY 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ksj s GLU 39 N -4.90 2.78 0.67 1.61 2.02 -0.76 -5.01 118.70 115.11 1ksj s GLU 39 Ca 0.07 -1.17 -0.15 0.00 0.02 0.00 0.00 54.97 53.73 1ksj s GLU 39 Cb -0.03 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.73 1ksj s GLU 39 CO 0.08 0.32 1.12 -0.51 0.02 0.00 0.00 175.26 176.29 1ksj s ASP 40 N -3.86 4.99 -0.05 -0.19 1.11 -1.26 -4.03 116.67 113.39 1ksj s ASP 40 Ca 0.35 2.04 0.07 0.00 0.18 0.00 0.00 52.55 55.19 1ksj s ASP 40 Cb -0.07 -2.56 0.10 0.00 1.07 0.00 0.00 42.92 41.47 1ksj s ASP 40 CO 0.25 -1.71 0.98 1.33 1.18 0.00 0.00 175.17 177.19 1ksj n VAL 41 N -2.46 0.86 0.49 -1.27 0.24 -1.26 -4.78 118.33 110.16 1ksj n VAL 41 Ca 0.11 -0.99 0.12 0.00 -2.04 0.00 0.00 64.34 61.54 1ksj n VAL 41 Cb 0.52 0.31 0.27 0.00 -1.47 0.00 0.00 33.84 33.46 1ksj n VAL 41 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 1ksj h ASP 42 N 0.00 0.00 -1.28 -1.34 2.03 -2.02 -3.36 116.42 110.45 1ksj h ASP 42 Ca 0.00 -0.06 -0.49 0.00 -0.73 0.00 0.00 57.03 55.75 1ksj h ASP 42 Cb 1.04 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 39.12 1ksj h ASP 42 CO 0.00 0.03 -0.92 0.35 -1.03 0.00 0.00 179.24 177.66 1ksj n THR 43 N -2.42 1.81 -3.37 1.15 -2.24 -1.26 -5.07 114.28 102.88 1ksj n THR 43 Ca 0.04 -4.15 -0.38 0.00 -2.27 0.00 0.00 64.05 57.30 1ksj n THR 43 Cb 0.46 -0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 1ksj n THR 43 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1ksj s ILE 44 N -4.54 4.86 0.15 2.28 1.01 -1.26 -5.08 121.20 118.61 1ksj s ILE 44 Ca 0.39 1.01 0.05 0.00 0.00 0.00 0.00 60.65 62.10 1ksj s ILE 44 Cb 0.42 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 1ksj s ILE 44 CO -0.09 0.49 -0.12 -0.94 0.00 0.00 0.00 174.94 174.28 1ksj s SER 45 N -1.24 1.94 0.14 3.58 1.04 -1.26 -5.11 113.70 112.79 1ksj s SER 45 Ca 0.29 -0.95 -0.34 0.00 0.48 0.00 0.00 55.95 55.44 1ksj s SER 45 Cb -0.18 -0.04 -0.17 0.00 0.10 0.00 0.00 66.02 65.74 1ksj s SER 45 CO 0.17 -0.25 1.10 -2.65 0.98 0.00 0.00 173.24 172.59 1ksj n PRO 46 N 0.02 0.88 -2.65 4.02 -0.02 -1.26 -4.89 135.00 131.10 1ksj n PRO 46 Ca -0.12 0.31 -0.43 0.00 -2.02 0.00 0.00 63.50 61.25 1ksj n PRO 46 Cb 0.59 -1.78 -0.02 0.00 -0.02 0.00 0.00 33.50 32.28 1ksj n PRO 46 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ksj s THR 47 N -0.18 4.63 -0.63 3.45 2.01 -1.26 -4.92 115.64 118.74 1ksj s THR 47 Ca 0.76 1.95 -0.00 0.00 0.31 0.00 0.00 61.69 64.71 1ksj s THR 47 Cb -0.93 -4.33 0.43 0.00 0.01 0.00 0.00 72.50 67.68 1ksj s THR 47 CO 0.53 -0.25 1.83 0.18 -0.69 0.00 0.00 174.62 176.22 1ksj n LEU 48 N 6.47 7.01 0.00 4.42 4.77 -1.26 -4.40 117.00 134.01 1ksj n LEU 48 Ca 0.12 -4.55 0.00 0.00 -0.03 0.00 0.00 56.01 51.55 1ksj n LEU 48 Cb 0.46 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1ksj n LEU 48 CO 0.54 1.69 0.00 0.61 -1.33 0.00 0.00 177.39 178.90 1ksj n GLY 49 N -0.77 -0.55 3.21 -0.72 0.00 -1.26 -5.06 105.19 100.03 1ksj n GLY 49 Ca 0.56 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 46.50 1ksj n GLY 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ksj s PHE 50 N -0.09 1.44 -0.31 1.61 -0.12 -1.26 -1.65 117.98 117.59 1ksj s PHE 50 Ca 0.00 -0.43 0.03 0.00 -0.05 0.00 0.00 56.93 56.48 1ksj s PHE 50 Cb 0.00 -0.81 0.09 0.00 -0.63 0.00 0.00 43.02 41.67 1ksj s PHE 50 CO 0.00 0.10 0.01 1.21 -0.05 0.00 0.00 175.22 176.49 1ksj s ASN 51 N -1.69 4.58 -0.09 1.98 3.04 0.89 -4.99 114.94 118.67 1ksj s ASN 51 Ca 0.02 -1.88 -0.10 0.00 0.04 0.00 0.00 52.86 50.94 1ksj s ASN 51 Cb -0.10 -1.53 -0.05 0.00 -1.54 0.00 0.00 41.25 38.04 1ksj s ASN 51 CO 0.03 -0.33 0.22 -0.63 -3.04 0.00 0.00 177.10 173.35 1ksj s ILE 52 N 1.03 5.36 -0.15 -5.21 1.01 -1.26 -1.51 121.20 120.47 1ksj s ILE 52 Ca 0.05 0.40 -0.01 0.00 0.00 0.00 0.00 60.65 61.09 1ksj s ILE 52 Cb -0.19 -3.50 0.04 0.00 0.01 0.00 0.00 42.46 38.82 1ksj s ILE 52 CO -0.08 0.59 -0.03 -0.54 0.00 0.00 0.00 174.94 174.88 1ksj s LYS 53 N -0.94 1.20 -0.28 2.79 1.02 -0.11 -4.98 119.74 118.44 1ksj s LYS 53 Ca 0.17 -0.37 -0.10 0.00 0.02 0.00 0.00 55.97 55.69 1ksj s LYS 53 Cb -0.13 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 35.33 1ksj s LYS 53 CO 0.06 -0.42 0.16 0.99 -0.92 0.00 0.00 175.35 175.23 1ksj s THR 54 N 1.73 5.04 0.03 2.17 2.01 -1.26 -0.98 115.64 124.37 1ksj s THR 54 Ca 0.02 0.04 -0.00 0.00 0.31 0.00 0.00 61.69 62.05 1ksj s THR 54 Cb -0.15 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 68.95 1ksj s THR 54 CO -0.07 0.25 0.04 0.00 -0.69 0.00 0.00 174.62 174.15 1ksj n LEU 55 N 5.03 0.00 -4.04 4.42 -0.00 -0.87 -5.03 117.00 116.50 1ksj n LEU 55 Ca -0.14 -0.21 -0.25 0.00 -0.00 0.00 0.00 56.01 55.41 1ksj n LEU 55 Cb 0.52 0.22 -0.16 0.00 -0.00 0.00 0.00 43.42 43.99 1ksj n LEU 55 CO 0.33 -0.05 -0.47 -0.70 -0.00 0.00 0.00 177.39 176.49 1ksj s GLU 56 N -2.04 1.73 -0.04 1.47 2.12 -1.26 -1.37 118.70 119.30 1ksj s GLU 56 Ca 0.02 -0.44 -0.02 0.00 0.36 0.00 0.00 54.97 54.89 1ksj s GLU 56 Cb -0.00 -1.43 0.03 0.00 0.26 0.00 0.00 34.13 32.99 1ksj s GLU 56 CO 0.01 0.05 0.05 -1.58 -0.54 0.00 0.00 175.26 173.26 1ksj s HIS 57 N 0.58 0.09 -1.38 5.30 5.65 -0.64 -4.84 115.29 120.06 1ksj s HIS 57 Ca -0.14 0.22 -0.09 0.00 0.25 0.00 0.00 55.06 55.30 1ksj s HIS 57 Cb -0.15 -0.46 0.06 0.00 -1.18 0.00 0.00 32.58 30.85 1ksj s HIS 57 CO 0.04 -0.18 0.58 0.54 -0.65 0.00 0.00 174.74 175.06 1ksj n ARG 58 N 5.11 -3.99 -0.36 2.88 1.74 -1.26 -0.20 116.66 120.59 1ksj n ARG 58 Ca -0.07 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 1ksj n ARG 58 Cb 0.50 -5.36 0.00 0.00 -1.02 0.00 0.00 32.46 26.58 1ksj n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ksj n GLY 59 N -1.32 1.75 3.77 -0.13 0.00 -1.26 -5.02 105.19 102.98 1ksj n GLY 59 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1ksj n GLY 59 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ksj s PHE 60 N -3.17 3.77 -0.59 1.61 0.08 0.72 -5.04 117.98 115.37 1ksj s PHE 60 Ca 0.00 1.36 -0.19 0.00 0.12 0.00 0.00 56.93 58.22 1ksj s PHE 60 Cb 0.00 -2.65 0.10 0.00 -0.57 0.00 0.00 43.02 39.90 1ksj s PHE 60 CO 0.00 0.43 0.71 0.21 -0.10 0.00 0.00 175.22 176.47 1ksj s LYS 61 N -0.59 3.05 0.11 0.44 2.20 -1.26 -1.62 119.74 122.07 1ksj s LYS 61 Ca 0.33 -1.28 0.02 0.00 -0.36 0.00 0.00 55.97 54.68 1ksj s LYS 61 Cb -0.20 -4.26 -0.04 0.00 -1.51 0.00 0.00 37.83 31.83 1ksj s LYS 61 CO 0.21 -1.54 0.23 -0.51 -0.36 0.00 0.00 175.35 173.37 1ksj s LEU 62 N 2.75 4.27 -0.27 5.43 1.43 -0.47 -0.44 118.68 131.38 1ksj s LEU 62 Ca 0.12 0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1ksj s LEU 62 Cb -0.24 -2.86 0.08 0.00 0.03 0.00 0.00 46.19 43.20 1ksj s LEU 62 CO 0.07 0.11 0.03 0.20 0.23 0.00 0.00 176.35 176.99 1ksj s ASN 63 N -2.85 3.85 -0.34 2.29 0.01 0.27 -2.06 114.94 116.10 1ksj s ASN 63 Ca 0.34 -1.39 -0.12 0.00 -0.71 0.00 0.00 52.86 50.98 1ksj s ASN 63 Cb -0.12 -1.02 -0.01 0.00 0.41 0.00 0.00 41.25 40.51 1ksj s ASN 63 CO 0.27 -0.33 0.22 -0.63 -1.51 0.00 0.00 177.10 175.13 1ksj s ILE 64 N 1.50 5.08 -0.38 0.60 1.01 -0.16 -1.20 121.20 127.66 1ksj s ILE 64 Ca 0.02 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.21 1ksj s ILE 64 Cb -0.18 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1ksj s ILE 64 CO -0.13 -0.01 0.33 0.26 0.00 0.00 0.00 174.94 175.38 1ksj s TRP 65 N 1.69 3.21 -0.31 3.97 0.52 -0.60 -0.93 118.94 126.48 1ksj s TRP 65 Ca 0.05 -0.29 -0.09 0.00 0.02 0.00 0.00 56.10 55.79 1ksj s TRP 65 Cb -0.17 -2.65 -0.00 0.00 -1.15 0.00 0.00 33.47 29.49 1ksj s TRP 65 CO 0.09 -0.51 0.15 0.34 0.02 0.00 0.00 176.95 177.04 1ksj s ASP 66 N 1.73 5.53 -0.12 2.95 2.15 -0.57 -4.46 116.67 123.88 1ksj s ASP 66 Ca 0.09 -0.57 -0.01 0.00 0.43 0.00 0.00 52.55 52.48 1ksj s ASP 66 Cb -0.17 -1.99 -0.03 0.00 -0.30 0.00 0.00 42.92 40.43 1ksj s ASP 66 CO 0.11 -0.21 -0.07 -0.69 -0.17 0.00 0.00 175.17 174.15 1ksj s VAL 67 N 1.60 3.67 0.24 1.11 1.01 -1.26 -0.08 120.40 126.68 1ksj s VAL 67 Ca 0.04 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 1ksj s VAL 67 Cb -0.17 -2.55 -0.15 0.00 0.00 0.00 0.00 36.38 33.50 1ksj s VAL 67 CO 0.06 0.54 0.98 0.61 0.00 0.00 0.00 175.10 177.29 1ksj n GLY 68 N 3.04 -0.39 0.92 4.51 0.00 -0.66 -4.77 105.19 107.85 1ksj n GLY 68 Ca -0.18 0.40 0.08 0.00 0.00 0.00 0.00 46.02 46.32 1ksj n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ksj n GLY 69 N 1.58 3.44 3.80 -0.02 0.00 -1.26 -4.27 105.19 108.45 1ksj n GLY 69 Ca 0.13 -0.80 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 1ksj n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ksj s GLN 70 N -2.12 3.15 0.25 1.61 -0.21 -1.26 -1.81 119.66 119.26 1ksj s GLN 70 Ca 0.37 1.21 -0.08 0.00 0.02 0.00 0.00 55.36 56.89 1ksj s GLN 70 Cb 0.27 -2.01 0.42 0.00 1.00 0.00 0.00 33.01 32.69 1ksj s GLN 70 CO 0.13 -0.95 1.62 0.87 -2.12 0.00 0.00 175.29 174.84 1ksj h LYS 71 N 0.19 0.07 -0.94 2.91 6.56 -2.01 0.42 116.57 123.77 1ksj h LYS 71 Ca -0.46 -0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.16 1ksj h LYS 71 Cb 1.22 -0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 32.81 1ksj h LYS 71 CO 0.57 0.04 0.62 1.03 -2.06 0.00 0.00 179.45 179.64 1ksj h SER 72 N 0.07 1.01 0.74 0.86 0.87 -1.98 -2.99 113.55 112.13 1ksj h SER 72 Ca 0.41 -0.01 -0.25 0.00 -1.23 0.00 0.00 61.79 60.72 1ksj h SER 72 Cb 0.71 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1ksj h SER 72 CO -0.71 0.69 -1.12 -0.07 -0.53 0.00 0.00 176.83 175.09 1ksj h LEU 73 N 1.17 0.27 -0.99 2.23 3.38 -1.24 -3.38 115.31 116.75 1ksj h LEU 73 Ca 0.37 -0.28 0.29 0.00 0.09 0.00 0.00 57.88 58.35 1ksj h LEU 73 Cb 0.02 -0.09 -0.14 0.00 0.09 0.00 0.00 40.66 40.55 1ksj h LEU 73 CO -0.12 1.21 0.54 0.03 0.09 0.00 0.00 178.44 180.19 1ksj h ARG 74 N 0.06 0.39 0.00 1.13 3.08 -1.18 -0.86 114.38 117.00 1ksj h ARG 74 Ca -0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1ksj h ARG 74 Cb 1.86 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.82 1ksj h ARG 74 CO 0.17 0.26 0.00 0.66 -1.07 0.00 0.00 179.97 179.99 1ksj h SER 75 N 0.40 0.00 0.23 7.04 4.64 -1.74 -1.41 113.55 122.70 1ksj h SER 75 Ca 0.68 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.00 1ksj h SER 75 Cb 1.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 1ksj h SER 75 CO -0.56 0.00 -0.48 -1.22 -0.87 0.00 0.00 176.83 173.70 1ksj n TYR 76 N -2.59 0.00 -0.33 4.77 4.01 -0.33 -4.43 117.16 118.27 1ksj n TYR 76 Ca -0.00 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.93 1ksj n TYR 76 Cb 0.14 -0.12 0.38 0.00 -0.31 0.00 0.00 39.34 39.43 1ksj n TYR 76 CO 0.00 0.00 0.00 -1.49 -0.46 0.00 0.00 176.86 174.91 1ksj h TRP 77 N 0.91 0.31 0.00 -0.72 4.06 -1.34 -1.03 115.95 118.14 1ksj h TRP 77 Ca 0.00 0.06 0.00 0.00 2.06 0.00 0.00 58.89 61.01 1ksj h TRP 77 Cb 0.55 0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.73 1ksj h TRP 77 CO 0.00 -0.38 0.00 2.89 -3.56 0.00 0.00 178.44 177.39 1ksj n ARG 78 N -5.35 0.04 0.00 0.49 1.85 -1.26 -2.10 116.66 110.32 1ksj n ARG 78 Ca 0.27 0.20 0.15 0.00 -1.00 0.00 0.00 57.85 57.47 1ksj n ARG 78 Cb 0.89 -1.50 0.84 0.00 -1.05 0.00 0.00 32.46 31.64 1ksj n ARG 78 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1ksj n ASN 79 N -1.46 0.06 -0.06 2.89 3.02 -0.39 -3.03 115.26 116.28 1ksj n ASN 79 Ca 0.05 -0.62 0.01 0.00 -0.03 0.00 0.00 54.58 53.98 1ksj n ASN 79 Cb 0.19 -0.12 0.01 0.00 -0.61 0.00 0.00 39.78 39.24 1ksj n ASN 79 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ksj n TYR 80 N -1.09 0.02 -0.20 3.10 4.01 -0.89 -4.72 117.16 117.38 1ksj n TYR 80 Ca 0.19 -0.23 -0.08 0.00 -0.16 0.00 0.00 57.90 57.63 1ksj n TYR 80 Cb 0.18 -0.02 0.02 0.00 -0.31 0.00 0.00 39.34 39.21 1ksj n TYR 80 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1ksj h PHE 81 N 0.25 0.89 -1.51 -0.72 -1.00 -1.63 -3.45 116.94 109.76 1ksj h PHE 81 Ca 0.00 -0.08 -0.70 0.00 2.81 0.00 0.00 57.97 60.00 1ksj h PHE 81 Cb 0.27 -0.26 0.06 0.00 3.61 0.00 0.00 35.95 39.63 1ksj h PHE 81 CO 0.01 0.73 0.23 0.39 -1.61 0.00 0.00 178.31 178.07 1ksj n GLU 82 N -4.46 0.76 -2.41 1.51 -0.58 -1.26 -2.63 120.64 111.57 1ksj n GLU 82 Ca 0.03 0.27 -0.21 0.00 -0.42 0.00 0.00 57.16 56.83 1ksj n GLU 82 Cb 0.19 -1.80 -0.01 0.00 -0.57 0.00 0.00 31.44 29.25 1ksj n GLU 82 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1ksj n SER 83 N 2.07 -5.93 -4.66 1.62 3.41 -1.26 -4.98 113.62 103.89 1ksj n SER 83 Ca 0.18 -0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.35 1ksj n SER 83 Cb 0.18 -4.94 -0.04 0.00 -0.26 0.00 0.00 64.21 59.15 1ksj n SER 83 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ksj s THR 84 N -3.05 4.85 0.03 6.66 2.01 -1.08 -4.67 115.64 120.39 1ksj s THR 84 Ca 0.00 1.64 -0.13 0.00 0.31 0.00 0.00 61.69 63.51 1ksj s THR 84 Cb -0.00 -4.14 -0.34 0.00 0.01 0.00 0.00 72.50 68.03 1ksj s THR 84 CO 0.01 -0.03 1.00 0.44 -0.69 0.00 0.00 174.62 175.34 1ksj h ASP 85 N 7.49 0.75 -3.84 3.53 3.32 -1.27 -3.43 116.42 122.98 1ksj h ASP 85 Ca -0.26 -0.83 -0.17 0.00 0.02 0.00 0.00 57.03 55.79 1ksj h ASP 85 Cb 1.11 -0.25 -0.26 0.00 0.22 0.00 0.00 39.33 40.16 1ksj h ASP 85 CO 0.86 1.65 -0.45 -0.83 -1.72 0.00 0.00 179.24 178.76 1ksj s GLY 86 N -4.66 -0.17 -0.14 2.75 0.00 -1.07 -2.43 107.32 101.60 1ksj s GLY 86 Ca -0.09 0.64 -0.03 0.00 0.00 0.00 0.00 44.72 45.24 1ksj s GLY 86 CO 0.93 0.55 -0.03 -2.27 0.00 0.00 0.00 173.10 172.28 1ksj s LEU 87 N 0.09 3.33 -0.34 0.66 2.96 -0.54 -0.83 118.68 124.00 1ksj s LEU 87 Ca -0.00 -0.06 -0.09 0.00 -0.22 0.00 0.00 54.13 53.76 1ksj s LEU 87 Cb -0.02 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.91 1ksj s LEU 87 CO 0.00 0.23 0.15 -0.63 -1.32 0.00 0.00 176.35 174.78 1ksj s ILE 88 N 0.02 4.22 -0.28 6.68 1.01 0.31 -1.57 121.20 131.59 1ksj s ILE 88 Ca 0.01 -0.87 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 1ksj s ILE 88 Cb -0.13 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1ksj s ILE 88 CO 0.02 -0.13 0.31 0.86 0.00 0.00 0.00 174.94 176.00 1ksj s TRP 89 N 1.50 3.23 -0.17 3.97 -0.11 0.35 -1.31 118.94 126.40 1ksj s TRP 89 Ca 0.01 0.24 -0.05 0.00 1.22 0.00 0.00 56.10 57.52 1ksj s TRP 89 Cb -0.19 -2.52 -0.03 0.00 -1.50 0.00 0.00 33.47 29.23 1ksj s TRP 89 CO 0.05 -0.24 0.01 0.08 -4.62 0.00 0.00 176.95 172.23 1ksj s VAL 90 N 1.95 4.35 -0.00 5.86 1.01 0.02 -1.22 120.40 132.37 1ksj s VAL 90 Ca 0.12 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.97 1ksj s VAL 90 Cb -0.16 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 1ksj s VAL 90 CO 0.11 0.48 -0.22 -0.69 0.00 0.00 0.00 175.10 174.78 1ksj s VAL 91 N 0.31 2.43 -0.79 2.92 1.01 0.11 -4.29 120.40 122.10 1ksj s VAL 91 Ca -0.00 -1.09 -0.21 0.00 0.00 0.00 0.00 61.98 60.68 1ksj s VAL 91 Cb -0.13 -1.92 0.09 0.00 0.00 0.00 0.00 36.38 34.42 1ksj s VAL 91 CO 0.02 0.50 1.07 -0.62 0.00 0.00 0.00 175.10 176.07 1ksj s ASP 92 N -0.90 6.37 0.62 3.32 -1.08 -1.26 0.31 116.67 124.05 1ksj s ASP 92 Ca 0.11 -1.42 0.28 0.00 -0.52 0.00 0.00 52.55 51.01 1ksj s ASP 92 Cb -0.10 -2.43 1.46 0.00 -1.46 0.00 0.00 42.92 40.39 1ksj s ASP 92 CO 0.01 -1.31 1.86 0.28 0.52 0.00 0.00 175.17 176.52 1ksj h SER 93 N 9.32 0.00 -0.67 -0.34 0.02 -0.97 -0.48 113.55 120.43 1ksj h SER 93 Ca -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1ksj h SER 93 Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 1ksj h SER 93 CO 1.18 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.87 1ksj n ALA 94 N -2.17 3.02 -3.16 3.77 0.00 -1.26 -1.66 120.51 119.05 1ksj n ALA 94 Ca 0.05 -1.58 -0.34 0.00 0.00 0.00 0.00 53.44 51.58 1ksj n ALA 94 Cb 0.61 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 1ksj n ALA 94 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ksj n ASP 95 N 1.20 5.09 0.34 0.00 -0.08 -0.19 -4.85 116.55 118.06 1ksj n ASP 95 Ca 0.26 -3.48 0.21 0.00 -1.51 0.00 0.00 54.79 50.27 1ksj n ASP 95 Cb 0.87 -0.91 1.14 0.00 2.34 0.00 0.00 41.12 44.56 1ksj n ASP 95 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 1ksj h ARG 96 N 4.49 0.00 -0.36 -0.67 0.11 -1.83 -2.94 114.38 113.18 1ksj h ARG 96 Ca 0.22 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.14 1ksj h ARG 96 Cb 0.60 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.67 1ksj h ARG 96 CO 1.04 0.00 -0.40 0.37 0.10 0.00 0.00 179.97 181.09 1ksj h GLN 97 N 0.00 0.87 -3.73 0.08 5.75 -1.97 -3.43 115.11 112.68 1ksj h GLN 97 Ca 0.00 -0.46 -0.74 0.00 -0.15 0.00 0.00 58.65 57.30 1ksj h GLN 97 Cb 0.13 0.02 -0.31 0.00 1.07 0.00 0.00 27.48 28.39 1ksj h GLN 97 CO 0.00 1.10 -0.16 1.03 -2.65 0.00 0.00 178.83 178.15 1ksj s ARG 98 N -4.35 3.03 0.00 1.69 0.52 -1.12 -4.86 118.95 113.86 1ksj s ARG 98 Ca -0.10 -2.46 0.00 0.00 -0.52 0.00 0.00 55.73 52.64 1ksj s ARG 98 Cb 0.11 -4.05 0.00 0.00 0.52 0.00 0.00 34.95 31.53 1ksj s ARG 98 CO 0.87 -1.23 0.00 1.04 0.02 0.00 0.00 175.30 176.00 1ksj n GLN 100 N 3.77 0.00 0.23 3.54 1.13 -1.26 -0.61 117.38 124.18 1ksj n GLN 100 Ca 0.10 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.22 1ksj n GLN 100 Cb 0.42 0.00 0.54 0.00 0.11 0.00 0.00 30.24 31.31 1ksj n GLN 100 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1ksj h ASP 101 N 0.00 0.02 -0.10 1.08 5.19 -1.98 0.14 116.42 120.77 1ksj h ASP 101 Ca 0.00 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 1ksj h ASP 101 Cb 0.00 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.50 1ksj h ASP 101 CO 0.00 0.13 -0.07 0.00 -3.12 0.00 0.00 179.24 176.18 1ksj h GLN 103 N -0.15 -0.03 -0.05 0.00 -0.00 -1.56 -1.89 115.11 111.42 1ksj h GLN 103 Ca 0.02 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.70 1ksj h GLN 103 Cb 0.55 0.01 -0.03 0.00 0.00 0.00 0.00 27.48 28.01 1ksj h GLN 103 CO 0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 178.83 178.74 1ksj h ARG 104 N -0.03 -0.13 -0.90 1.69 3.08 -0.73 -1.09 114.38 116.27 1ksj h ARG 104 Ca 0.12 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.28 1ksj h ARG 104 Cb 0.20 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.21 1ksj h ARG 104 CO -0.25 -0.09 0.54 0.93 -1.07 0.00 0.00 179.97 180.02 1ksj h GLU 105 N -0.14 0.85 -0.07 0.04 4.39 -1.14 -0.83 114.58 117.67 1ksj h GLU 105 Ca 0.05 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1ksj h GLU 105 Cb 0.21 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1ksj h GLU 105 CO -0.13 0.56 -0.09 1.25 -1.16 0.00 0.00 179.01 179.44 1ksj h LEU 106 N 0.87 0.20 -1.04 1.33 5.85 -0.79 -1.16 115.31 120.58 1ksj h LEU 106 Ca 0.44 -0.51 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1ksj h LEU 106 Cb 0.42 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1ksj h LEU 106 CO -0.26 0.67 0.33 1.56 -0.34 0.00 0.00 178.44 180.40 1ksj h GLN 107 N -0.26 1.01 -0.99 1.25 1.08 -1.02 -0.36 115.11 115.82 1ksj h GLN 107 Ca 0.01 -0.14 0.01 0.00 -1.45 0.00 0.00 58.65 57.08 1ksj h GLN 107 Cb 0.62 -0.19 -0.05 0.00 -0.05 0.00 0.00 27.48 27.81 1ksj h GLN 107 CO 0.02 0.79 0.65 1.03 -0.95 0.00 0.00 178.83 180.37 1ksj h SER 108 N 1.00 1.14 -0.15 1.46 0.87 -1.10 0.25 113.55 117.03 1ksj h SER 108 Ca 0.24 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1ksj h SER 108 Cb 0.12 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1ksj h SER 108 CO -0.03 0.83 0.01 -0.07 -0.53 0.00 0.00 176.83 177.04 1ksj h LEU 109 N 1.35 0.34 0.00 2.23 3.38 0.19 -2.90 115.31 119.89 1ksj h LEU 109 Ca 0.36 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1ksj h LEU 109 Cb -0.15 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1ksj h LEU 109 CO -0.08 0.39 0.00 0.18 0.09 0.00 0.00 178.44 179.03 1ksj n LEU 110 N -4.34 0.00 -0.40 1.67 4.77 0.07 -2.59 117.00 116.18 1ksj n LEU 110 Ca 0.01 0.31 0.06 0.00 -0.03 0.00 0.00 56.01 56.35 1ksj n LEU 110 Cb 0.20 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1ksj n LEU 110 CO 0.37 -0.12 0.35 1.33 -1.33 0.00 0.00 177.39 177.99 1ksj n VAL 111 N -1.31 0.00 -1.76 4.08 0.24 -1.09 -4.97 118.33 113.52 1ksj n VAL 111 Ca 0.08 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.34 61.52 1ksj n VAL 111 Cb 0.15 1.21 -0.02 0.00 -1.47 0.00 0.00 33.84 33.71 1ksj n VAL 111 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1ksj s GLU 112 N -1.26 4.13 0.39 7.34 0.41 -1.07 -4.88 118.70 123.76 1ksj s GLU 112 Ca 0.13 2.58 0.21 0.00 -0.41 0.00 0.00 54.97 57.48 1ksj s GLU 112 Cb 0.10 -3.05 0.33 0.00 -1.78 0.00 0.00 34.13 29.73 1ksj s GLU 112 CO 0.22 -0.68 1.58 1.49 -0.49 0.00 0.00 175.26 177.38 1ksj h GLU 113 N 5.76 0.00 -0.01 1.61 4.22 -1.93 -3.09 114.58 121.14 1ksj h GLU 113 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.99 1ksj h GLU 113 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1ksj h GLU 113 CO 0.87 0.18 -0.01 0.54 -2.18 0.00 0.00 179.01 178.41 1ksj n ARG 114 N -3.16 1.46 0.00 1.92 1.74 -1.26 -3.37 116.66 114.00 1ksj n ARG 114 Ca 0.03 -0.72 0.04 0.00 -0.77 0.00 0.00 57.85 56.43 1ksj n ARG 114 Cb 0.58 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.56 1ksj n ARG 114 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ksj n LEU 115 N -0.14 1.52 -4.59 0.55 4.77 -1.17 -4.48 117.00 113.45 1ksj n LEU 115 Ca 0.20 -0.96 -0.39 0.00 -0.03 0.00 0.00 56.01 54.83 1ksj n LEU 115 Cb 0.30 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1ksj n LEU 115 CO 0.17 0.31 0.49 0.00 -1.33 0.00 0.00 177.39 177.03 1ksj n ALA 116 N 0.30 0.01 -1.05 -1.18 0.00 -1.19 -1.45 120.51 115.95 1ksj n ALA 116 Ca 0.04 0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.49 1ksj n ALA 116 Cb 0.18 -2.06 -0.02 0.00 0.00 0.00 0.00 19.45 17.54 1ksj n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ksj n GLY 117 N 1.33 0.45 3.86 0.00 0.00 -1.26 -4.95 105.19 104.61 1ksj n GLY 117 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1ksj n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ksj s ALA 118 N -1.31 3.11 -0.11 4.61 0.00 -0.53 -5.03 121.76 122.51 1ksj s ALA 118 Ca 0.00 0.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.83 1ksj s ALA 118 Cb 0.00 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 1ksj s ALA 118 CO 0.00 -0.38 0.40 0.99 0.00 0.00 0.00 175.76 176.77 1ksj s THR 119 N -2.80 5.20 -0.23 0.00 2.01 -1.02 -4.40 115.64 114.39 1ksj s THR 119 Ca 0.57 0.80 -0.11 0.00 0.31 0.00 0.00 61.69 63.25 1ksj s THR 119 Cb -0.10 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 1ksj s THR 119 CO 0.40 0.39 0.19 -0.22 -0.69 0.00 0.00 174.62 174.69 1ksj s LEU 120 N 0.25 4.13 -0.11 4.42 2.96 0.15 -1.47 118.68 129.02 1ksj s LEU 120 Ca 0.22 0.18 0.03 0.00 -0.22 0.00 0.00 54.13 54.34 1ksj s LEU 120 Cb -0.15 -2.15 -0.01 0.00 0.50 0.00 0.00 46.19 44.38 1ksj s LEU 120 CO 0.09 0.06 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.76 1ksj s LEU 121 N 1.00 2.30 -0.23 -0.68 2.96 -0.61 -1.96 118.68 121.46 1ksj s LEU 121 Ca 0.09 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.48 1ksj s LEU 121 Cb -0.13 -1.48 -0.00 0.00 0.50 0.00 0.00 46.19 45.08 1ksj s LEU 121 CO 0.04 0.17 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.57 1ksj s ILE 122 N 0.32 3.37 -0.40 6.68 1.09 0.31 -0.50 121.20 132.07 1ksj s ILE 122 Ca -0.16 -0.55 -0.16 0.00 -1.10 0.00 0.00 60.65 58.68 1ksj s ILE 122 Cb -0.17 -2.57 0.01 0.00 -1.06 0.00 0.00 42.46 38.68 1ksj s ILE 122 CO 0.08 0.38 0.40 -0.36 -0.10 0.00 0.00 174.94 175.34 1ksj s PHE 123 N 1.47 3.19 -1.09 3.97 0.08 -0.36 0.33 117.98 125.57 1ksj s PHE 123 Ca 0.05 -0.30 -0.20 0.00 0.12 0.00 0.00 56.93 56.60 1ksj s PHE 123 Cb -0.15 -2.80 0.09 0.00 -0.57 0.00 0.00 43.02 39.59 1ksj s PHE 123 CO -0.03 -0.62 1.44 0.00 -0.10 0.00 0.00 175.22 175.91 1ksj s ALA 124 N 2.06 3.18 0.64 5.36 0.00 0.44 -0.71 121.76 132.72 1ksj s ALA 124 Ca 0.11 -2.68 -0.10 0.00 0.00 0.00 0.00 51.96 49.29 1ksj s ALA 124 Cb -0.17 -4.39 -0.01 0.00 0.00 0.00 0.00 23.12 18.55 1ksj s ALA 124 CO 0.13 -3.28 1.02 1.21 0.00 0.00 0.00 175.76 174.84 1ksj s ASN 125 N 4.20 5.83 -0.59 0.00 2.47 0.15 -0.71 114.94 126.29 1ksj s ASN 125 Ca 0.44 1.18 -0.01 0.00 0.42 0.00 0.00 52.86 54.89 1ksj s ASN 125 Cb -0.01 -2.14 0.00 0.00 -1.45 0.00 0.00 41.25 37.66 1ksj s ASN 125 CO -0.04 -1.07 0.08 0.29 -3.72 0.00 0.00 177.10 172.64 1ksj n LYS 126 N -2.80 -1.03 0.30 0.43 5.02 -1.02 -0.33 118.16 118.74 1ksj n LYS 126 Ca 0.06 0.34 0.18 0.00 -2.02 0.00 0.00 58.31 56.86 1ksj n LYS 126 Cb 0.56 -4.14 0.95 0.00 -0.02 0.00 0.00 35.03 32.38 1ksj n LYS 126 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1ksj h GLN 127 N -0.19 0.00 0.00 1.97 1.08 -1.00 -1.53 115.11 115.44 1ksj h GLN 127 Ca -0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1ksj h GLN 127 Cb 1.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 1ksj h GLN 127 CO 0.20 0.03 0.00 -0.40 -0.95 0.00 0.00 178.83 177.72 1ksj n ASP 128 N -3.42 0.00 -4.78 1.46 5.75 -1.26 -4.73 116.55 109.57 1ksj n ASP 128 Ca -0.02 -0.59 -0.38 0.00 -0.01 0.00 0.00 54.79 53.79 1ksj n ASP 128 Cb 0.15 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.18 1ksj n ASP 128 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1ksj s LEU 129 N -1.98 4.36 0.18 -2.12 1.43 -0.58 -5.03 118.68 114.95 1ksj s LEU 129 Ca 0.27 0.80 -0.27 0.00 -1.03 0.00 0.00 54.13 53.91 1ksj s LEU 129 Cb 0.13 -2.55 0.03 0.00 0.03 0.00 0.00 46.19 43.82 1ksj s LEU 129 CO 0.21 0.18 1.55 -0.65 0.23 0.00 0.00 176.35 177.87 1ksj h PRO 130 N 5.75 -0.06 -1.48 1.29 0.11 -1.89 -2.45 132.00 133.27 1ksj h PRO 130 Ca -0.46 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.18 1ksj h PRO 130 Cb 1.20 0.01 -0.19 0.00 0.11 0.00 0.00 31.00 32.13 1ksj h PRO 130 CO 0.69 -0.04 0.57 0.41 -0.21 0.00 0.00 178.00 179.42 1ksj n GLY 131 N -1.34 4.70 3.70 -0.55 0.00 -1.26 -4.96 105.19 105.47 1ksj n GLY 131 Ca 0.04 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 1ksj n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ksj s ALA 132 N -2.47 3.43 0.45 4.61 0.00 -0.92 -4.53 121.76 122.32 1ksj s ALA 132 Ca 0.46 -0.00 -0.24 0.00 0.00 0.00 0.00 51.96 52.17 1ksj s ALA 132 Cb 0.35 -2.98 -0.08 0.00 0.00 0.00 0.00 23.12 20.41 1ksj s ALA 132 CO -0.06 -0.29 1.24 -0.51 0.00 0.00 0.00 175.76 176.14 1ksj s LEU 133 N 1.27 4.08 0.00 0.00 1.43 -0.66 -4.96 118.68 119.84 1ksj s LEU 133 Ca 0.35 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.94 1ksj s LEU 133 Cb -0.17 -4.10 0.00 0.00 0.03 0.00 0.00 46.19 41.95 1ksj s LEU 133 CO 0.15 -0.96 0.00 -1.54 0.23 0.00 0.00 176.35 174.22 1ksj n SER 134 N -0.29 0.00 0.00 2.29 3.41 -1.26 -4.75 113.62 113.02 1ksj n SER 134 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1ksj n SER 134 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1ksj n SER 134 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ksj n ASN 136 N 0.00 0.00 -0.21 4.04 3.02 -1.26 -2.14 115.26 118.72 1ksj n ASN 136 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.51 1ksj n ASN 136 Cb 0.00 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.23 1ksj n ASN 136 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ksj h ALA 137 N 0.00 0.78 -0.18 5.41 0.00 -1.99 0.42 119.26 123.71 1ksj h ALA 137 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1ksj h ALA 137 Cb 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1ksj h ALA 137 CO 0.00 0.10 -0.58 0.82 0.00 0.00 0.00 179.25 179.59 1ksj h ILE 138 N 0.72 1.32 -0.32 0.00 2.04 -1.72 0.30 117.51 119.84 1ksj h ILE 138 Ca 0.24 -1.84 0.04 0.00 1.00 0.00 0.00 64.86 64.30 1ksj h ILE 138 Cb 0.03 1.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1ksj h ILE 138 CO -0.11 0.57 0.09 -0.61 0.00 0.00 0.00 178.15 178.10 1ksj h GLN 139 N 0.44 0.21 -0.15 2.37 4.15 -1.59 -1.86 115.11 118.69 1ksj h GLN 139 Ca 0.00 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1ksj h GLN 139 Cb 1.14 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 1ksj h GLN 139 CO 0.11 0.14 -0.00 1.49 -1.93 0.00 0.00 178.83 178.64 1ksj h GLU 140 N 0.22 0.26 -0.97 1.69 4.81 0.02 -2.99 114.58 117.62 1ksj h GLU 140 Ca 0.15 -0.08 0.15 0.00 -0.13 0.00 0.00 59.36 59.44 1ksj h GLU 140 Cb 0.13 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.40 1ksj h GLU 140 CO -0.17 0.49 0.61 0.00 -0.73 0.00 0.00 179.01 179.22 1ksj h ALA 141 N 0.76 1.67 -0.64 2.92 0.00 -0.10 -2.02 119.26 121.84 1ksj h ALA 141 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ksj h ALA 141 Cb 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ksj h ALA 141 CO 0.01 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.59 1ksj n LEU 142 N -4.63 3.70 -3.90 0.00 4.77 -0.73 -4.80 117.00 111.41 1ksj n LEU 142 Ca 0.20 -1.85 -0.37 0.00 -0.03 0.00 0.00 56.01 53.95 1ksj n LEU 142 Cb 0.45 -0.46 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1ksj n LEU 142 CO 0.27 0.84 -0.15 -0.62 -1.33 0.00 0.00 177.39 176.40 1ksj n GLU 143 N 1.33 -0.77 0.06 3.23 1.02 -0.76 -4.88 120.64 119.86 1ksj n GLU 143 Ca 0.22 0.36 -0.06 0.00 -0.02 0.00 0.00 57.16 57.66 1ksj n GLU 143 Cb 0.61 -2.89 -0.10 0.00 -0.02 0.00 0.00 31.44 29.03 1ksj n GLU 143 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1ksj h LEU 144 N -1.85 0.00 -2.37 -4.62 3.38 -1.81 -3.29 115.31 104.75 1ksj h LEU 144 Ca -0.66 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.30 1ksj h LEU 144 Cb 1.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 1ksj h LEU 144 CO 0.47 0.93 -0.04 0.44 0.09 0.00 0.00 178.44 180.33 1ksj h ASP 145 N 0.00 0.00 -0.04 -0.43 3.32 -1.90 -1.05 116.42 116.32 1ksj h ASP 145 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1ksj h ASP 145 Cb 1.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.30 1ksj h ASP 145 CO 0.11 0.04 0.00 -1.54 -1.72 0.00 0.00 179.24 176.13 1ksj n SER 146 N -3.57 0.79 -4.50 6.45 3.41 -1.24 -4.78 113.62 110.18 1ksj n SER 146 Ca -0.02 -1.38 -0.43 0.00 -0.26 0.00 0.00 58.87 56.78 1ksj n SER 146 Cb 0.14 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.00 1ksj n SER 146 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ksj s ILE 147 N -1.96 4.83 -0.03 -1.33 1.01 -0.40 -4.81 121.20 118.51 1ksj s ILE 147 Ca 0.38 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 61.00 1ksj s ILE 147 Cb 0.19 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 1ksj s ILE 147 CO 0.31 -0.66 0.05 0.54 0.00 0.00 0.00 174.94 175.18 1ksj n ARG 148 N 6.25 2.46 0.17 2.79 5.12 -1.26 -4.65 116.66 127.54 1ksj n ARG 148 Ca -0.03 -0.01 0.05 0.00 -1.93 0.00 0.00 57.85 55.93 1ksj n ARG 148 Cb 0.47 -0.87 0.50 0.00 -1.16 0.00 0.00 32.46 31.41 1ksj n ARG 148 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1ksj h SER 149 N 0.00 0.15 -4.47 0.55 4.64 -1.94 -3.44 113.55 109.03 1ksj h SER 149 Ca 0.00 -0.02 -0.30 0.00 -0.47 0.00 0.00 61.79 61.01 1ksj h SER 149 Cb 0.06 -0.04 -0.15 0.00 -0.31 0.00 0.00 62.40 61.97 1ksj h SER 149 CO 0.00 0.21 -0.66 -1.00 -0.87 0.00 0.00 176.83 174.51 1ksj s HIS 150 N -4.95 1.26 0.18 4.77 3.76 -1.26 -4.53 115.29 114.52 1ksj s HIS 150 Ca -0.05 -1.02 -0.25 0.00 -0.15 0.00 0.00 55.06 53.58 1ksj s HIS 150 Cb 0.16 -0.72 -0.08 0.00 1.11 0.00 0.00 32.58 33.05 1ksj s HIS 150 CO 0.70 -0.21 0.79 -1.01 -0.85 0.00 0.00 174.74 174.16 1ksj s HIS 151 N -3.65 3.88 0.22 1.40 0.09 -1.26 -4.91 115.29 111.06 1ksj s HIS 151 Ca 0.25 1.63 -0.05 0.00 -0.00 0.00 0.00 55.06 56.89 1ksj s HIS 151 Cb 0.06 -2.77 -0.03 0.00 -0.00 0.00 0.00 32.58 29.85 1ksj s HIS 151 CO 0.05 0.48 0.26 1.67 -0.00 0.00 0.00 174.74 177.21 1ksj s TRP 152 N -1.21 0.90 -0.29 1.40 1.48 -1.25 0.35 118.94 120.33 1ksj s TRP 152 Ca 0.37 -1.16 -0.17 0.00 -1.06 0.00 0.00 56.10 54.08 1ksj s TRP 152 Cb -0.22 -0.30 0.13 0.00 -1.16 0.00 0.00 33.47 31.92 1ksj s TRP 152 CO 0.26 -0.78 0.94 0.50 -4.06 0.00 0.00 176.95 173.81 1ksj s ARG 153 N -4.07 0.45 0.10 3.25 3.52 -0.83 -4.98 118.95 116.39 1ksj s ARG 153 Ca 0.33 0.74 -0.04 0.00 -0.13 0.00 0.00 55.73 56.63 1ksj s ARG 153 Cb 0.04 0.11 -0.05 0.00 -1.56 0.00 0.00 34.95 33.49 1ksj s ARG 153 CO 0.12 -0.09 0.32 -1.50 -0.81 0.00 0.00 175.30 173.34 1ksj s ILE 154 N 1.24 5.24 -0.13 4.11 2.07 -1.26 -0.53 121.20 131.93 1ksj s ILE 154 Ca -0.08 -0.01 -0.05 0.00 -1.41 0.00 0.00 60.65 59.10 1ksj s ILE 154 Cb -0.04 -3.62 0.06 0.00 0.13 0.00 0.00 42.46 38.99 1ksj s ILE 154 CO -0.14 0.13 0.28 -1.58 -1.91 0.00 0.00 174.94 171.72 1ksj s GLN 155 N -2.42 0.20 0.45 3.50 2.00 0.15 -4.92 119.66 118.62 1ksj s GLN 155 Ca 0.37 0.68 -0.16 0.00 -2.00 0.00 0.00 55.36 54.25 1ksj s GLN 155 Cb -0.13 -0.05 -0.08 0.00 0.80 0.00 0.00 33.01 33.55 1ksj s GLN 155 CO 0.23 -0.22 0.89 0.20 -0.50 0.00 0.00 175.29 175.90 1ksj s GLY 156 N 1.87 2.14 0.08 2.59 0.00 -1.26 0.17 107.32 112.91 1ksj s GLY 156 Ca -0.04 0.12 -0.08 0.00 0.00 0.00 0.00 44.72 44.72 1ksj s GLY 156 CO -0.09 0.37 0.37 0.00 0.00 0.00 0.00 173.10 173.75 1ksj s SER 158 N -1.89 1.21 0.37 0.00 0.15 -0.72 -0.53 113.70 112.28 1ksj s SER 158 Ca 0.08 -0.29 0.06 0.00 0.70 0.00 0.00 55.95 56.50 1ksj s SER 158 Cb -0.01 0.59 0.71 0.00 -1.71 0.00 0.00 66.02 65.60 1ksj s SER 158 CO 0.02 -0.34 1.95 0.00 1.20 0.00 0.00 173.24 176.07 1ksj h ALA 159 N 8.27 1.50 -0.12 5.45 0.00 -1.91 0.56 119.26 133.01 1ksj h ALA 159 Ca -0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1ksj h ALA 159 Cb 1.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ksj h ALA 159 CO 0.30 0.37 -0.03 -0.39 0.00 0.00 0.00 179.25 179.50 1ksj h VAL 160 N 0.50 1.29 0.00 0.00 -1.51 -1.95 -3.17 116.25 111.41 1ksj h VAL 160 Ca 0.12 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 1ksj h VAL 160 Cb 0.19 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1ksj h VAL 160 CO -0.00 0.27 -0.55 0.71 -1.23 0.00 0.00 177.57 176.77 1ksj h THR 161 N -0.08 0.00 0.00 7.19 1.35 -1.97 -3.47 112.91 115.92 1ksj h THR 161 Ca 0.03 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1ksj h THR 161 Cb 0.44 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1ksj h THR 161 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1ksj n GLY 162 N 1.22 0.67 3.71 5.82 0.00 0.19 -5.02 105.19 111.78 1ksj n GLY 162 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1ksj n GLY 162 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ksj s GLU 163 N -0.33 4.31 -1.50 1.61 2.12 -0.67 -3.86 118.70 120.38 1ksj s GLU 163 Ca 0.00 2.09 -0.13 0.00 0.36 0.00 0.00 54.97 57.29 1ksj s GLU 163 Cb 0.00 -3.29 0.07 0.00 0.26 0.00 0.00 34.13 31.17 1ksj s GLU 163 CO 0.00 -0.47 0.95 -0.25 -0.54 0.00 0.00 175.26 174.95 1ksj n ASP 164 N 4.16 -5.00 -0.07 -1.70 8.00 -1.26 -1.76 116.55 118.92 1ksj n ASP 164 Ca 0.12 -0.69 -0.20 0.00 0.71 0.00 0.00 54.79 54.72 1ksj n ASP 164 Cb 0.42 -3.99 -0.12 0.00 -0.02 0.00 0.00 41.12 37.40 1ksj n ASP 164 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1ksj h LEU 165 N -2.02 0.11 -0.88 0.64 3.38 -1.90 -3.37 115.31 111.26 1ksj h LEU 165 Ca -0.56 -0.69 -0.03 0.00 0.09 0.00 0.00 57.88 56.68 1ksj h LEU 165 Cb 1.37 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.05 1ksj h LEU 165 CO 0.65 1.46 0.38 -0.07 0.09 0.00 0.00 178.44 180.94 1ksj h LEU 166 N -0.79 1.08 -1.75 1.67 3.38 -1.91 -2.23 115.31 114.78 1ksj h LEU 166 Ca -0.28 -0.14 0.17 0.00 0.09 0.00 0.00 57.88 57.71 1ksj h LEU 166 Cb 1.39 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 1ksj h LEU 166 CO -0.10 0.93 0.49 -0.65 0.09 0.00 0.00 178.44 179.20 1ksj h PRO 167 N 1.17 0.23 0.00 1.13 0.11 -1.99 0.45 132.00 133.11 1ksj h PRO 167 Ca 0.28 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.38 1ksj h PRO 167 Cb 0.14 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1ksj h PRO 167 CO -0.03 0.16 -0.00 0.78 -0.21 0.00 0.00 178.00 178.69 1ksj h GLY 168 N 0.24 -0.00 1.17 -0.55 0.00 -1.58 -3.09 103.07 99.26 1ksj h GLY 168 Ca 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.60 1ksj h GLY 168 CO -0.08 -0.00 0.08 -2.22 0.00 0.00 0.00 176.54 174.33 1ksj h ILE 169 N -0.98 1.26 -0.51 2.60 1.08 -1.03 -1.43 117.51 118.49 1ksj h ILE 169 Ca -0.00 -1.02 -0.02 0.00 -0.39 0.00 0.00 64.86 63.43 1ksj h ILE 169 Cb 0.98 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 35.39 1ksj h ILE 169 CO 0.00 0.38 0.23 0.44 -0.69 0.00 0.00 178.15 178.50 1ksj h ASP 170 N 0.95 0.68 0.17 1.72 3.32 -0.27 0.13 116.42 123.12 1ksj h ASP 170 Ca 0.19 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1ksj h ASP 170 Cb 0.43 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1ksj h ASP 170 CO 0.01 0.64 -0.08 -0.25 -1.72 0.00 0.00 179.24 177.84 1ksj h TRP 171 N 0.68 -0.21 -0.45 4.55 7.01 -1.43 -0.77 115.95 125.32 1ksj h TRP 171 Ca 0.17 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.25 1ksj h TRP 171 Cb 0.15 0.07 -0.07 0.00 -2.10 0.00 0.00 29.16 27.21 1ksj h TRP 171 CO -0.00 -0.05 -0.01 1.25 -2.79 0.00 0.00 178.44 176.84 1ksj h LEU 172 N -0.33 -0.20 -0.41 0.65 5.85 -1.21 0.20 115.31 119.86 1ksj h LEU 172 Ca -0.02 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1ksj h LEU 172 Cb 0.26 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1ksj h LEU 172 CO 0.04 -0.06 0.24 -0.07 -0.34 0.00 0.00 178.44 178.25 1ksj h LEU 173 N 0.11 0.39 -0.72 2.25 3.38 -0.50 -2.09 115.31 118.13 1ksj h LEU 173 Ca 0.23 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 1ksj h LEU 173 Cb 0.33 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1ksj h LEU 173 CO -0.38 0.28 0.04 0.44 0.09 0.00 0.00 178.44 178.91 1ksj h ASP 174 N 0.49 0.99 -0.01 -0.43 3.32 -0.35 -2.68 116.42 117.74 1ksj h ASP 174 Ca 0.16 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1ksj h ASP 174 Cb 0.01 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 1ksj h ASP 174 CO -0.08 1.02 0.01 -0.78 -1.72 0.00 0.00 179.24 177.69 1ksj h ASP 175 N 0.95 0.02 -0.72 6.45 1.82 -0.29 -2.03 116.42 122.61 1ksj h ASP 175 Ca 0.18 -0.14 0.03 0.00 -0.39 0.00 0.00 57.03 56.70 1ksj h ASP 175 Cb 0.49 -0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.46 1ksj h ASP 175 CO 0.02 0.15 0.46 0.40 -1.61 0.00 0.00 179.24 178.66 1ksj h ILE 176 N -0.12 1.11 -0.02 2.25 2.04 -1.41 -2.27 117.51 119.08 1ksj h ILE 176 Ca 0.00 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 1ksj h ILE 176 Cb 0.14 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1ksj h ILE 176 CO -0.00 0.16 -0.21 -1.28 0.00 0.00 0.00 178.15 176.82 1ksj h SER 177 N 0.89 0.03 1.20 1.72 0.87 -1.32 -2.66 113.55 114.28 1ksj h SER 177 Ca 0.29 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1ksj h SER 177 Cb 0.00 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1ksj h SER 177 CO -0.10 0.24 0.00 0.77 -0.53 0.00 0.00 176.83 177.21 1ksj h SER 178 N 0.03 0.00 -0.03 6.23 4.64 -0.75 -3.51 113.55 120.15 1ksj h SER 178 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ksj h SER 178 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1ksj h SER 178 CO 0.03 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.88