#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckj s GLU 2 N 0.00 4.03 -0.28 0.03 2.12 -1.26 -5.06 118.70 118.29 1ckj s GLU 2 Ca 0.00 0.82 -0.10 0.00 0.36 0.00 0.00 54.97 56.05 1ckj s GLU 2 Cb 0.00 -2.30 -0.04 0.00 0.26 0.00 0.00 34.13 32.05 1ckj s GLU 2 CO 0.00 0.01 0.17 -1.17 -0.54 0.00 0.00 175.26 173.73 1ckj s LEU 3 N -3.33 3.97 -0.18 2.70 2.96 -1.26 -5.07 118.68 118.46 1ckj s LEU 3 Ca 0.57 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 54.36 1ckj s LEU 3 Cb -0.10 -2.08 0.05 0.00 0.50 0.00 0.00 46.19 44.56 1ckj s LEU 3 CO 0.20 -0.07 -0.00 -0.13 -1.32 0.00 0.00 176.35 175.03 1ckj s ARG 4 N 1.73 0.99 0.31 1.98 0.52 -1.26 -1.60 118.95 121.62 1ckj s ARG 4 Ca 0.07 -0.49 -0.27 0.00 -0.52 0.00 0.00 55.73 54.52 1ckj s ARG 4 Cb -0.16 -2.07 -0.10 0.00 0.52 0.00 0.00 34.95 33.15 1ckj s ARG 4 CO 0.09 -0.56 0.98 0.08 0.02 0.00 0.00 175.30 175.91 1ckj s VAL 8 N 1.74 4.03 0.00 3.52 1.01 -0.05 -4.41 120.40 126.24 1ckj s VAL 8 Ca -0.01 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.73 1ckj s VAL 8 Cb -0.17 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1ckj s VAL 8 CO -0.07 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1ckj n GLY 9 N 0.77 1.81 1.31 4.51 0.00 -1.26 -2.27 105.19 110.05 1ckj n GLY 9 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ckj n GLY 9 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ckj n ASN 10 N 6.26 -0.47 0.19 1.61 5.03 -1.26 -4.94 115.26 121.68 1ckj n ASN 10 Ca 0.00 0.13 0.12 0.00 0.87 0.00 0.00 54.58 55.70 1ckj n ASN 10 Cb 0.00 0.73 0.17 0.00 -1.02 0.00 0.00 39.78 39.66 1ckj n ASN 10 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.26 175.51 1ckj h ARG 11 N 0.00 0.00 -4.47 3.52 -0.00 -1.92 -3.44 114.38 108.07 1ckj h ARG 11 Ca 0.00 0.00 -0.73 0.00 -0.00 0.00 0.00 59.98 59.25 1ckj h ARG 11 Cb 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 29.97 29.76 1ckj h ARG 11 CO 0.00 0.00 0.16 0.71 -0.00 0.00 0.00 179.97 180.84 1ckj s TYR 12 N -3.22 3.21 -0.13 4.08 2.02 -0.96 0.51 117.35 122.85 1ckj s TYR 12 Ca 0.06 -1.28 -0.29 0.00 -0.37 0.00 0.00 57.07 55.19 1ckj s TYR 12 Cb 0.06 -3.98 -0.04 0.00 -0.40 0.00 0.00 41.96 37.61 1ckj s TYR 12 CO 0.68 -1.22 1.56 0.50 -1.57 0.00 0.00 175.55 175.50 1ckj s ARG 13 N 2.01 4.06 0.65 -0.62 3.52 0.19 -0.87 118.95 127.89 1ckj s ARG 13 Ca 0.14 1.90 -0.15 0.00 -0.13 0.00 0.00 55.73 57.50 1ckj s ARG 13 Cb -0.20 -3.96 -0.01 0.00 -1.56 0.00 0.00 34.95 29.23 1ckj s ARG 13 CO 0.01 -0.96 1.10 -1.17 -0.81 0.00 0.00 175.30 173.46 1ckj s LEU 14 N 4.31 3.41 0.00 -0.88 2.96 -0.62 -0.48 118.68 127.37 1ckj s LEU 14 Ca 0.69 1.95 0.00 0.00 -0.22 0.00 0.00 54.13 56.55 1ckj s LEU 14 Cb -0.28 -4.55 0.00 0.00 0.50 0.00 0.00 46.19 41.86 1ckj s LEU 14 CO 0.26 -1.52 0.00 0.61 -1.32 0.00 0.00 176.35 174.38 1ckj n GLY 15 N -0.66 4.85 3.73 7.98 0.00 0.81 -4.86 105.19 117.04 1ckj n GLY 15 Ca 0.10 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 1ckj n GLY 15 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ckj s ARG 16 N 1.81 2.51 -0.64 1.61 3.52 -1.25 -4.52 118.95 122.00 1ckj s ARG 16 Ca 0.00 1.93 -0.24 0.00 -0.13 0.00 0.00 55.73 57.28 1ckj s ARG 16 Cb 0.00 -1.86 0.05 0.00 -1.56 0.00 0.00 34.95 31.58 1ckj s ARG 16 CO 0.00 -1.59 1.04 0.21 -0.81 0.00 0.00 175.30 174.15 1ckj s LYS 17 N -3.52 3.23 0.07 5.12 2.20 -1.26 -0.42 119.74 125.15 1ckj s LYS 17 Ca 0.79 -0.45 0.27 0.00 -0.36 0.00 0.00 55.97 56.22 1ckj s LYS 17 Cb -0.34 -4.15 0.83 0.00 -1.51 0.00 0.00 37.83 32.66 1ckj s LYS 17 CO 0.40 -1.77 1.68 0.44 -0.36 0.00 0.00 175.35 175.73 1ckj n ILE 18 N 6.16 0.20 -2.99 5.43 -5.35 -0.95 -4.96 119.36 116.89 1ckj n ILE 18 Ca 0.00 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 1ckj n ILE 18 Cb 0.47 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.08 1ckj n ILE 18 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ckj n GLY 19 N 1.43 -1.47 2.99 3.28 0.00 -0.88 -5.03 105.19 105.51 1ckj n GLY 19 Ca 0.06 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 1ckj n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ckj s SER 20 N -3.34 0.17 0.00 1.61 0.15 -1.26 -0.02 113.70 111.00 1ckj s SER 20 Ca 0.00 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1ckj s SER 20 Cb 0.00 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1ckj s SER 20 CO 0.00 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1ckj n GLY 21 N 1.80 6.42 0.29 9.45 0.00 0.49 -4.88 105.19 118.77 1ckj n GLY 21 Ca -0.22 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 43.91 1ckj n GLY 21 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ckj h SER 22 N 0.00 -0.57 -0.14 1.61 0.02 -1.99 -3.25 113.55 109.22 1ckj h SER 22 Ca 0.00 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 1ckj h SER 22 Cb 0.00 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1ckj h SER 22 CO 0.00 -0.21 0.06 0.49 -1.14 0.00 0.00 176.83 176.04 1ckj n PHE 23 N -5.27 0.47 0.00 3.45 3.72 -1.26 -4.98 117.46 113.59 1ckj n PHE 23 Ca -0.11 -0.46 0.00 0.00 -0.05 0.00 0.00 57.45 56.84 1ckj n PHE 23 Cb 0.31 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 1ckj n PHE 23 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ckj n GLY 24 N 0.16 0.50 3.94 1.37 0.00 -1.23 -4.31 105.19 105.62 1ckj n GLY 24 Ca 0.08 -1.90 -0.26 0.00 0.00 0.00 0.00 46.02 43.95 1ckj n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ckj s ASP 25 N -4.00 6.35 -0.18 1.61 1.01 -1.26 -0.38 116.67 119.82 1ckj s ASP 25 Ca 0.00 0.29 0.00 0.00 0.71 0.00 0.00 52.55 53.55 1ckj s ASP 25 Cb 0.00 -1.96 0.01 0.00 1.01 0.00 0.00 42.92 41.98 1ckj s ASP 25 CO 0.00 -0.05 -0.17 -0.63 0.21 0.00 0.00 175.17 174.53 1ckj s ILE 26 N -1.90 2.32 0.11 0.77 1.01 0.97 -2.96 121.20 121.52 1ckj s ILE 26 Ca 0.37 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 60.22 1ckj s ILE 26 Cb -0.11 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1ckj s ILE 26 CO 0.30 0.52 -0.03 -0.31 0.00 0.00 0.00 174.94 175.41 1ckj s TYR 27 N 1.28 2.87 0.10 3.97 1.51 0.30 -2.08 117.35 125.30 1ckj s TYR 27 Ca 0.04 -0.09 -0.24 0.00 -1.01 0.00 0.00 57.07 55.76 1ckj s TYR 27 Cb -0.13 -1.47 -0.07 0.00 -0.11 0.00 0.00 41.96 40.18 1ckj s TYR 27 CO -0.10 0.47 0.75 -1.17 -1.11 0.00 0.00 175.55 174.38 1ckj s LEU 28 N -2.42 4.52 0.23 -1.29 0.20 0.44 -1.01 118.68 119.35 1ckj s LEU 28 Ca 0.25 1.50 0.01 0.00 0.69 0.00 0.00 54.13 56.58 1ckj s LEU 28 Cb -0.11 -3.21 -0.04 0.00 -0.43 0.00 0.00 46.19 42.40 1ckj s LEU 28 CO 0.17 0.12 0.16 -0.83 -0.29 0.00 0.00 176.35 175.69 1ckj s GLY 29 N -0.61 1.63 -0.04 7.98 0.00 -0.57 -0.14 107.32 115.57 1ckj s GLY 29 Ca 0.36 -1.78 0.01 0.00 0.00 0.00 0.00 44.72 43.31 1ckj s GLY 29 CO 0.24 -1.41 -0.02 -1.59 0.00 0.00 0.00 173.10 170.32 1ckj s THR 30 N -4.00 0.33 -1.00 0.90 2.01 0.37 -0.61 115.64 113.64 1ckj s THR 30 Ca 0.39 -0.00 -0.21 0.00 0.31 0.00 0.00 61.69 62.18 1ckj s THR 30 Cb 0.06 -0.40 0.08 0.00 0.01 0.00 0.00 72.50 72.25 1ckj s THR 30 CO 0.15 0.18 1.34 -0.62 -0.69 0.00 0.00 174.62 174.98 1ckj s ASP 31 N 1.00 6.57 0.36 3.53 -1.08 0.65 0.55 116.67 128.24 1ckj s ASP 31 Ca -0.10 -1.72 0.08 0.00 -0.52 0.00 0.00 52.55 50.29 1ckj s ASP 31 Cb -0.14 -2.51 0.80 0.00 -1.46 0.00 0.00 42.92 39.61 1ckj s ASP 31 CO -0.01 -1.33 1.90 -0.29 0.52 0.00 0.00 175.17 175.97 1ckj h ILE 32 N 6.38 0.90 0.00 4.11 6.09 -0.24 1.65 117.51 136.40 1ckj h ILE 32 Ca 0.19 -0.24 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 1ckj h ILE 32 Cb 1.01 0.13 0.00 0.00 0.47 0.00 0.00 36.82 38.43 1ckj h ILE 32 CO 1.31 0.13 0.00 0.00 -3.07 0.00 0.00 178.15 176.52 1ckj n ALA 33 N -2.44 2.28 -0.50 0.18 0.00 -1.26 -3.10 120.51 115.68 1ckj n ALA 33 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1ckj n ALA 33 Cb 0.39 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1ckj n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ckj n ALA 34 N -0.61 0.00 -2.98 0.00 0.00 -0.10 -5.03 120.51 111.78 1ckj n ALA 34 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.26 1ckj n ALA 34 Cb 0.02 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.50 1ckj n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ckj n GLY 35 N 0.00 -0.52 3.42 0.00 0.00 0.54 -4.99 105.19 103.64 1ckj n GLY 35 Ca 0.00 0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1ckj n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ckj s GLU 36 N -5.67 3.53 0.02 1.61 2.12 -1.06 -4.92 118.70 114.34 1ckj s GLU 36 Ca 0.29 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.73 1ckj s GLU 36 Cb -0.13 -2.91 -0.05 0.00 0.26 0.00 0.00 34.13 31.31 1ckj s GLU 36 CO 0.35 0.09 1.17 -1.21 -0.54 0.00 0.00 175.26 175.12 1ckj s GLU 37 N 0.75 4.43 0.38 4.30 2.02 -1.26 -0.25 118.70 129.07 1ckj s GLU 37 Ca -0.02 1.69 0.03 0.00 0.02 0.00 0.00 54.97 56.69 1ckj s GLU 37 Cb -0.15 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 30.66 1ckj s GLU 37 CO 0.02 -0.27 0.12 1.33 0.02 0.00 0.00 175.26 176.48 1ckj n VAL 38 N 4.09 0.00 -4.35 2.63 0.24 0.22 -4.26 118.33 116.90 1ckj n VAL 38 Ca 0.09 -2.16 -0.32 0.00 -2.04 0.00 0.00 64.34 59.91 1ckj n VAL 38 Cb 0.47 0.73 -0.16 0.00 -1.47 0.00 0.00 33.84 33.41 1ckj n VAL 38 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ckj s ALA 39 N -2.98 2.13 -0.13 2.33 0.00 -0.25 -1.51 121.76 121.35 1ckj s ALA 39 Ca 0.16 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 1ckj s ALA 39 Cb 0.01 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 1ckj s ALA 39 CO 0.12 -0.20 -0.02 0.42 0.00 0.00 0.00 175.76 176.08 1ckj s ILE 40 N 1.11 4.07 -0.12 0.00 1.01 -0.18 -0.73 121.20 126.35 1ckj s ILE 40 Ca -0.01 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.36 1ckj s ILE 40 Cb -0.14 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.58 1ckj s ILE 40 CO -0.07 0.53 -0.22 -0.75 0.00 0.00 0.00 174.94 174.43 1ckj s LYS 41 N -0.09 2.91 -0.08 2.79 2.20 0.50 -0.54 119.74 127.44 1ckj s LYS 41 Ca 0.03 -0.82 0.01 0.00 -0.36 0.00 0.00 55.97 54.82 1ckj s LYS 41 Cb -0.13 -2.31 0.02 0.00 -1.51 0.00 0.00 37.83 33.90 1ckj s LYS 41 CO 0.02 0.04 -0.07 -0.48 -0.36 0.00 0.00 175.35 174.50 1ckj s LEU 42 N 0.68 1.28 -0.13 5.43 0.05 -1.15 -1.02 118.68 123.81 1ckj s LEU 42 Ca -0.11 -0.23 -0.06 0.00 0.05 0.00 0.00 54.13 53.78 1ckj s LEU 42 Cb -0.16 -0.70 -0.04 0.00 -2.05 0.00 0.00 46.19 43.24 1ckj s LEU 42 CO 0.02 -0.07 0.08 -0.70 -0.55 0.00 0.00 176.35 175.13 1ckj s GLU 43 N 1.25 3.49 -0.42 1.48 2.12 -1.21 -4.17 118.70 121.25 1ckj s GLU 43 Ca -0.05 -0.26 -0.27 0.00 0.36 0.00 0.00 54.97 54.75 1ckj s GLU 43 Cb -0.14 -3.10 -0.07 0.00 0.26 0.00 0.00 34.13 31.09 1ckj s GLU 43 CO -0.02 0.61 2.37 0.00 -0.54 0.00 0.00 175.26 177.67 1ckj n VAL 45 N 7.94 0.00 -3.76 0.00 0.31 0.15 -2.15 118.33 120.82 1ckj n VAL 45 Ca 0.35 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.33 1ckj n VAL 45 Cb 0.52 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.34 1ckj n VAL 45 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1ckj s LYS 46 N -1.64 2.31 0.00 5.55 2.47 -1.26 -4.76 119.74 122.41 1ckj s LYS 46 Ca 0.00 -2.28 0.00 0.00 -1.56 0.00 0.00 55.97 52.13 1ckj s LYS 46 Cb 0.00 -3.64 0.00 0.00 -1.46 0.00 0.00 37.83 32.73 1ckj s LYS 46 CO 0.00 -1.13 0.00 -2.37 0.16 0.00 0.00 175.35 172.01 1ckj n THR 47 N 3.85 0.00 0.00 3.43 5.66 -0.91 -5.04 114.28 121.27 1ckj n THR 47 Ca 0.04 0.23 0.00 0.00 -3.05 0.00 0.00 64.05 61.27 1ckj n THR 47 Cb 0.39 -0.94 0.00 0.00 -1.55 0.00 0.00 70.33 68.23 1ckj n THR 47 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1ckj n LYS 48 N -1.54 0.00 -3.71 1.09 -0.00 -1.26 -5.03 118.16 107.71 1ckj n LYS 48 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.03 1ckj n LYS 48 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 34.91 1ckj n LYS 48 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1ckj s HIS 49 N -1.27 2.46 -0.93 5.58 3.76 -1.26 -5.04 115.29 118.59 1ckj s HIS 49 Ca 0.00 -2.82 -0.25 0.00 -0.15 0.00 0.00 55.06 51.84 1ckj s HIS 49 Cb 0.00 -2.00 -0.18 0.00 1.11 0.00 0.00 32.58 31.51 1ckj s HIS 49 CO 0.00 -0.69 1.94 -0.35 -0.85 0.00 0.00 174.74 174.79 1ckj n PRO 50 N 2.65 0.94 0.05 8.40 -0.04 -1.26 -4.74 135.00 141.00 1ckj n PRO 50 Ca 0.19 -1.95 0.13 0.00 -0.04 0.00 0.00 63.50 61.83 1ckj n PRO 50 Cb 0.38 -3.49 0.51 0.00 -0.04 0.00 0.00 33.50 30.87 1ckj n PRO 50 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ckj n GLN 51 N 7.98 0.11 0.11 0.54 1.13 -1.26 -4.13 117.38 121.86 1ckj n GLN 51 Ca 0.45 0.11 0.03 0.00 -1.94 0.00 0.00 57.00 55.66 1ckj n GLN 51 Cb 0.45 -1.64 0.43 0.00 0.11 0.00 0.00 30.24 29.59 1ckj n GLN 51 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1ckj h LEU 52 N 0.00 0.26 -1.58 1.08 6.46 -1.92 -1.33 115.31 118.28 1ckj h LEU 52 Ca 0.00 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1ckj h LEU 52 Cb 0.58 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1ckj h LEU 52 CO 0.00 0.33 0.00 1.12 -0.62 0.00 0.00 178.44 179.27 1ckj h HIS 53 N 0.27 0.00 0.05 1.25 2.07 -1.98 -2.68 115.15 114.14 1ckj h HIS 53 Ca 0.06 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.50 1ckj h HIS 53 Cb 0.23 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.22 1ckj h HIS 53 CO 0.00 0.00 -0.38 0.82 -3.07 0.00 0.00 177.93 175.30 1ckj h ILE 54 N 0.00 1.64 -0.55 6.12 2.04 -1.52 -3.21 117.51 122.03 1ckj h ILE 54 Ca 0.00 -2.41 0.08 0.00 1.00 0.00 0.00 64.86 63.53 1ckj h ILE 54 Cb 0.44 3.27 -0.06 0.00 -0.74 0.00 0.00 36.82 39.72 1ckj h ILE 54 CO 0.00 0.64 0.19 -0.08 0.00 0.00 0.00 178.15 178.91 1ckj h GLU 55 N -0.75 0.36 -0.86 2.37 4.81 -1.28 -0.99 114.58 118.23 1ckj h GLU 55 Ca -0.07 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.25 1ckj h GLU 55 Cb 1.27 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.48 1ckj h GLU 55 CO 0.05 0.24 0.50 0.77 -0.73 0.00 0.00 179.01 179.83 1ckj h SER 56 N 0.37 0.69 -0.30 1.04 0.02 -1.60 -0.88 113.55 112.89 1ckj h SER 56 Ca 0.27 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.33 1ckj h SER 56 Cb 0.32 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 1ckj h SER 56 CO -0.28 0.37 0.03 0.11 -1.14 0.00 0.00 176.83 175.92 1ckj h LYS 57 N 0.79 0.12 -0.12 3.45 1.79 -1.19 -0.54 116.57 120.88 1ckj h LYS 57 Ca 0.43 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.89 1ckj h LYS 57 Cb 0.45 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1ckj h LYS 57 CO -0.28 0.08 0.06 0.82 -1.08 0.00 0.00 179.45 179.06 1ckj h ILE 58 N 0.13 1.09 -1.01 1.86 2.04 -0.79 -1.11 117.51 119.72 1ckj h ILE 58 Ca 0.14 -0.25 0.12 0.00 1.00 0.00 0.00 64.86 65.88 1ckj h ILE 58 Cb 0.17 1.04 -0.09 0.00 -0.74 0.00 0.00 36.82 37.21 1ckj h ILE 58 CO -0.22 0.08 0.63 1.88 0.00 0.00 0.00 178.15 180.53 1ckj h TYR 59 N 0.10 1.15 0.00 1.37 0.05 -0.84 0.12 116.97 118.91 1ckj h TYR 59 Ca 0.04 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.79 1ckj h TYR 59 Cb 0.07 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.44 1ckj h TYR 59 CO -0.04 0.44 -0.32 0.87 -1.05 0.00 0.00 178.16 178.06 1ckj h LYS 60 N 0.99 0.00 0.01 4.88 1.57 -0.62 0.18 116.57 123.57 1ckj h LYS 60 Ca 0.50 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 59.07 1ckj h LYS 60 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1ckj h LYS 60 CO -0.27 0.32 -0.93 0.52 -0.57 0.00 0.00 179.45 178.52 1ckj h MET 61 N 0.00 0.34 0.00 3.15 2.86 0.42 -3.20 114.93 118.50 1ckj h MET 61 Ca -0.00 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1ckj h MET 61 Cb 0.87 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.64 1ckj h MET 61 CO 0.04 1.06 -0.36 0.52 1.06 0.00 0.00 176.91 179.23 1ckj h MET 62 N 0.19 0.00 -6.27 1.72 2.86 -0.72 -3.48 114.93 109.23 1ckj h MET 62 Ca -0.07 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 56.90 1ckj h MET 62 Cb 1.57 0.00 0.07 0.00 0.06 0.00 0.00 31.60 33.30 1ckj h MET 62 CO 0.15 0.00 0.27 0.00 1.06 0.00 0.00 176.91 178.40 1ckj n GLN 63 N -2.27 1.01 0.00 1.72 10.64 0.60 -1.47 117.38 127.61 1ckj n GLN 63 Ca 0.04 0.36 0.00 0.00 -1.83 0.00 0.00 57.00 55.57 1ckj n GLN 63 Cb 0.45 -1.88 0.00 0.00 -0.86 0.00 0.00 30.24 27.95 1ckj n GLN 63 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ckj n GLY 64 N 2.12 2.22 3.71 2.61 0.00 -1.26 -5.04 105.19 109.54 1ckj n GLY 64 Ca 0.17 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1ckj n GLY 64 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ckj s GLY 65 N -2.07 1.90 0.15 -0.02 0.00 -0.54 -4.96 107.32 101.78 1ckj s GLY 65 Ca 0.00 0.63 -0.30 0.00 0.00 0.00 0.00 44.72 45.05 1ckj s GLY 65 CO 0.00 1.03 1.17 0.14 0.00 0.00 0.00 173.10 175.44 1ckj s VAL 66 N -2.48 3.76 -0.89 1.40 1.01 -1.26 -3.52 120.40 118.42 1ckj s VAL 66 Ca 0.68 1.43 0.00 0.00 0.00 0.00 0.00 61.98 64.09 1ckj s VAL 66 Cb -0.24 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1ckj s VAL 66 CO 0.54 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.45 1ckj n GLY 67 N 2.44 0.95 3.35 4.51 0.00 -1.26 -4.94 105.19 110.24 1ckj n GLY 67 Ca 0.05 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 1ckj n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ckj s ILE 68 N -2.33 3.44 0.35 -0.61 -1.09 -1.23 -1.00 121.20 118.73 1ckj s ILE 68 Ca 0.00 -0.48 -0.28 0.00 -2.23 0.00 0.00 60.65 57.65 1ckj s ILE 68 Cb 0.00 -2.54 -0.11 0.00 -1.58 0.00 0.00 42.46 38.22 1ckj s ILE 68 CO 0.00 0.44 1.47 -0.81 -1.23 0.00 0.00 174.94 174.81 1ckj n PRO 69 N 4.44 2.55 -2.76 2.79 -0.04 -1.26 -4.84 135.00 135.88 1ckj n PRO 69 Ca -0.18 0.90 -0.39 0.00 -0.04 0.00 0.00 63.50 63.78 1ckj n PRO 69 Cb 0.51 -2.61 -0.06 0.00 -0.04 0.00 0.00 33.50 31.31 1ckj n PRO 69 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1ckj s THR 70 N -0.87 4.10 -0.15 0.52 2.01 -1.26 -4.90 115.64 115.08 1ckj s THR 70 Ca 0.56 2.03 -0.15 0.00 0.31 0.00 0.00 61.69 64.44 1ckj s THR 70 Cb -0.50 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 67.70 1ckj s THR 70 CO 0.60 0.42 0.34 -0.63 -0.69 0.00 0.00 174.62 174.67 1ckj s ILE 71 N -1.27 5.28 -0.13 1.82 -1.09 -1.26 -1.00 121.20 123.54 1ckj s ILE 71 Ca 0.43 0.65 -0.18 0.00 -2.23 0.00 0.00 60.65 59.32 1ckj s ILE 71 Cb -0.24 -3.68 -0.25 0.00 -1.58 0.00 0.00 42.46 36.71 1ckj s ILE 71 CO 0.30 0.37 0.49 0.03 -1.23 0.00 0.00 174.94 174.90 1ckj h ARG 72 N 6.71 0.16 -1.95 2.79 2.47 -0.12 -3.48 114.38 120.94 1ckj h ARG 72 Ca -0.41 -0.27 0.04 0.00 -1.26 0.00 0.00 59.98 58.08 1ckj h ARG 72 Cb 1.17 0.10 -0.19 0.00 -1.65 0.00 0.00 29.97 29.39 1ckj h ARG 72 CO 0.76 1.13 0.40 -0.46 0.56 0.00 0.00 179.97 182.36 1ckj s TRP 73 N -2.42 -0.47 0.01 3.04 -0.00 -0.96 -4.97 118.94 113.17 1ckj s TRP 73 Ca -0.22 0.67 0.02 0.00 -0.00 0.00 0.00 56.10 56.57 1ckj s TRP 73 Cb 0.04 0.46 -0.01 0.00 -0.00 0.00 0.00 33.47 33.96 1ckj s TRP 73 CO 0.71 -0.50 -0.06 0.00 -0.00 0.00 0.00 176.95 177.10 1ckj n GLY 75 N 2.40 -0.57 3.08 0.00 0.00 -0.21 -4.99 105.19 104.90 1ckj n GLY 75 Ca -0.16 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 1ckj n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ckj s ALA 76 N -1.00 0.65 -0.33 4.61 0.00 -1.26 -0.30 121.76 124.13 1ckj s ALA 76 Ca 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.16 1ckj s ALA 76 Cb 0.00 0.05 0.17 0.00 0.00 0.00 0.00 23.12 23.33 1ckj s ALA 76 CO 0.00 -0.03 0.47 -2.00 0.00 0.00 0.00 175.76 174.20 1ckj s GLU 77 N -1.80 0.55 7.34 0.00 -6.30 0.13 -4.88 118.70 113.74 1ckj s GLU 77 Ca -0.08 -0.07 0.00 0.00 -2.50 0.00 0.00 54.97 52.32 1ckj s GLU 77 Cb -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 34.13 33.81 1ckj s GLU 77 CO 0.00 -1.10 0.00 0.41 0.02 0.00 0.00 175.26 174.59 1ckj n GLY 78 N 4.98 2.86 0.35 -1.50 0.00 -1.26 -2.10 105.19 108.52 1ckj n GLY 78 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1ckj n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ckj n ASP 79 N 4.98 0.58 -3.97 1.61 8.00 -1.26 -4.77 116.55 121.72 1ckj n ASP 79 Ca 0.00 -1.66 -0.13 0.00 0.71 0.00 0.00 54.79 53.72 1ckj n ASP 79 Cb 0.00 -0.29 -0.13 0.00 -0.02 0.00 0.00 41.12 40.68 1ckj n ASP 79 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ckj s TYR 80 N -1.30 0.37 -0.26 1.24 2.02 -0.89 0.34 117.35 118.86 1ckj s TYR 80 Ca 0.00 -0.28 -0.04 0.00 -0.37 0.00 0.00 57.07 56.38 1ckj s TYR 80 Cb 0.00 -0.23 0.01 0.00 -0.40 0.00 0.00 41.96 41.34 1ckj s TYR 80 CO 0.00 -0.07 0.01 -0.80 -1.57 0.00 0.00 175.55 173.12 1ckj s ASN 81 N -0.78 4.68 -0.10 2.29 0.02 -1.14 0.18 114.94 120.08 1ckj s ASN 81 Ca -0.06 -0.71 -0.04 0.00 -1.02 0.00 0.00 52.86 51.03 1ckj s ASN 81 Cb -0.05 -1.77 -0.04 0.00 0.02 0.00 0.00 41.25 39.41 1ckj s ASN 81 CO -0.00 -0.14 0.04 0.68 0.02 0.00 0.00 177.10 177.70 1ckj s VAL 82 N 1.43 4.60 -0.14 1.60 -7.23 0.59 -3.30 120.40 117.95 1ckj s VAL 82 Ca 0.02 -0.13 -0.01 0.00 -1.81 0.00 0.00 61.98 60.05 1ckj s VAL 82 Cb -0.16 -2.97 -0.01 0.00 0.56 0.00 0.00 36.38 33.80 1ckj s VAL 82 CO -0.01 0.59 -0.12 -0.32 -0.31 0.00 0.00 175.10 174.93 1ckj s MET 83 N -0.77 3.36 -0.17 4.82 1.75 -0.19 -1.04 119.30 127.06 1ckj s MET 83 Ca 0.12 -0.68 -0.03 0.00 -1.25 0.00 0.00 55.69 53.84 1ckj s MET 83 Cb -0.12 -2.68 -0.02 0.00 2.84 0.00 0.00 34.83 34.85 1ckj s MET 83 CO 0.02 0.14 -0.05 0.08 -0.65 0.00 0.00 175.02 174.56 1ckj s VAL 84 N 0.55 3.65 0.16 10.11 1.01 0.20 -0.37 120.40 135.71 1ckj s VAL 84 Ca -0.08 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1ckj s VAL 84 Cb -0.16 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1ckj s VAL 84 CO 0.04 0.47 0.06 0.00 0.00 0.00 0.00 175.10 175.66 1ckj s MET 85 N 0.70 1.03 0.07 2.72 0.23 0.09 0.63 119.30 124.77 1ckj s MET 85 Ca -0.02 -1.51 -0.33 0.00 -1.03 0.00 0.00 55.69 52.79 1ckj s MET 85 Cb -0.15 0.11 -0.13 0.00 -1.53 0.00 0.00 34.83 33.13 1ckj s MET 85 CO 0.02 -0.25 1.73 -1.91 -2.03 0.00 0.00 175.02 172.58 1ckj n GLU 86 N -0.17 2.28 -2.58 3.16 2.13 -0.17 -1.09 120.64 124.20 1ckj n GLU 86 Ca -0.04 0.83 -0.42 0.00 0.66 0.00 0.00 57.16 58.18 1ckj n GLU 86 Cb 0.64 -2.65 -0.03 0.00 0.27 0.00 0.00 31.44 29.67 1ckj n GLU 86 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1ckj s LEU 87 N 2.34 4.37 0.00 4.31 2.96 -1.26 -4.66 118.68 126.74 1ckj s LEU 87 Ca 0.84 1.82 0.00 0.00 -0.22 0.00 0.00 54.13 56.57 1ckj s LEU 87 Cb -0.65 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.47 1ckj s LEU 87 CO 0.43 -0.36 0.02 0.18 -1.32 0.00 0.00 176.35 175.29 1ckj n LEU 88 N 3.95 0.00 0.00 -0.68 4.77 -1.26 -4.88 117.00 118.90 1ckj n LEU 88 Ca 0.07 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1ckj n LEU 88 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1ckj n LEU 88 CO 0.54 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1ckj n GLY 89 N 4.64 -0.78 3.79 -0.72 0.00 0.20 -4.93 105.19 107.38 1ckj n GLY 89 Ca -0.00 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 1ckj n GLY 89 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ckj s PRO 90 N -0.34 2.65 0.80 1.61 0.02 -1.26 -4.49 135.00 133.99 1ckj s PRO 90 Ca 0.00 1.14 -0.11 0.00 0.02 0.00 0.00 61.00 62.05 1ckj s PRO 90 Cb 0.00 -1.95 0.08 0.00 0.02 0.00 0.00 34.50 32.66 1ckj s PRO 90 CO 0.00 -1.34 1.17 -1.54 -0.33 0.00 0.00 177.00 174.96 1ckj s SER 91 N -3.32 4.47 0.51 2.53 1.04 -1.26 -1.67 113.70 116.00 1ckj s SER 91 Ca 0.61 0.71 0.30 0.00 0.48 0.00 0.00 55.95 58.05 1ckj s SER 91 Cb -0.17 -1.20 1.14 0.00 0.10 0.00 0.00 66.02 65.90 1ckj s SER 91 CO 0.51 -1.91 1.90 -0.07 0.98 0.00 0.00 173.24 174.66 1ckj h LEU 92 N -1.03 0.00 -0.05 2.42 3.38 -0.83 -2.13 115.31 117.07 1ckj h LEU 92 Ca -0.46 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 1ckj h LEU 92 Cb 1.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 1ckj h LEU 92 CO 0.64 0.06 -0.09 -0.08 0.09 0.00 0.00 178.44 179.07 1ckj h GLU 93 N 0.00 0.15 0.03 1.13 4.57 -1.83 -0.01 114.58 118.62 1ckj h GLU 93 Ca -0.00 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.11 1ckj h GLU 93 Cb 0.62 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.18 1ckj h GLU 93 CO 0.01 0.66 -0.24 -0.44 -1.18 0.00 0.00 179.01 177.82 1ckj h ASP 94 N -0.34 -0.69 -0.40 1.04 3.32 -1.83 -0.13 116.42 117.38 1ckj h ASP 94 Ca 0.00 0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.16 1ckj h ASP 94 Cb 0.65 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1ckj h ASP 94 CO 0.02 -0.31 0.27 -0.07 -1.72 0.00 0.00 179.24 177.43 1ckj h LEU 95 N -0.39 0.44 0.27 1.55 3.38 -1.40 0.13 115.31 119.28 1ckj h LEU 95 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ckj h LEU 95 Cb 0.46 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ckj h LEU 95 CO -0.19 0.31 -0.13 0.15 0.09 0.00 0.00 178.44 178.67 1ckj h PHE 96 N 0.52 -0.33 -0.66 1.13 3.57 0.24 -0.90 116.94 120.51 1ckj h PHE 96 Ca 0.15 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1ckj h PHE 96 Cb -0.02 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1ckj h PHE 96 CO -0.00 -0.07 0.43 -0.91 -2.23 0.00 0.00 178.31 175.54 1ckj h ASN 97 N -0.57 0.74 -0.90 0.41 2.35 -0.59 0.29 115.58 117.32 1ckj h ASN 97 Ca -0.04 -0.02 0.17 0.00 -0.55 0.00 0.00 56.30 55.87 1ckj h ASN 97 Cb 0.42 -0.18 -0.10 0.00 0.05 0.00 0.00 38.32 38.50 1ckj h ASN 97 CO 0.06 0.53 0.47 0.15 -1.65 0.00 0.00 177.43 177.00 1ckj h PHE 98 N 0.88 0.83 -0.40 1.19 3.57 -0.59 0.81 116.94 123.22 1ckj h PHE 98 Ca 0.24 0.04 -0.20 0.00 3.53 0.00 0.00 57.97 61.58 1ckj h PHE 98 Cb -0.08 -0.23 -0.12 0.00 2.79 0.00 0.00 35.95 38.31 1ckj h PHE 98 CO -0.03 0.16 0.25 0.00 -2.23 0.00 0.00 178.31 176.46 1ckj n SER 100 N -0.15 -4.65 -3.59 0.00 7.64 0.28 -2.05 113.62 111.09 1ckj n SER 100 Ca 0.24 -0.32 -0.21 0.00 1.01 0.00 0.00 58.87 59.59 1ckj n SER 100 Cb 0.96 -3.81 0.05 0.00 -1.01 0.00 0.00 64.21 60.40 1ckj n SER 100 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ckj n ARG 101 N -3.80 -4.31 -3.36 1.43 1.74 0.92 -4.97 116.66 104.31 1ckj n ARG 101 Ca -0.06 0.67 -0.14 0.00 -0.77 0.00 0.00 57.85 57.55 1ckj n ARG 101 Cb 0.58 -5.23 -0.08 0.00 -1.02 0.00 0.00 32.46 26.70 1ckj n ARG 101 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ckj s LYS 102 N -5.66 0.39 -0.15 5.56 1.02 -0.87 -4.60 119.74 115.42 1ckj s LYS 102 Ca 0.13 -0.13 -0.08 0.00 0.02 0.00 0.00 55.97 55.91 1ckj s LYS 102 Cb -0.03 -0.54 -0.04 0.00 -0.52 0.00 0.00 37.83 36.70 1ckj s LYS 102 CO 0.80 -1.05 0.13 -0.06 -0.92 0.00 0.00 175.35 174.25 1ckj s PHE 103 N 2.32 3.50 0.53 3.18 0.08 -1.23 -4.90 117.98 121.47 1ckj s PHE 103 Ca 0.10 0.43 -0.12 0.00 0.12 0.00 0.00 56.93 57.46 1ckj s PHE 103 Cb -0.13 -2.03 -0.06 0.00 -0.57 0.00 0.00 43.02 40.23 1ckj s PHE 103 CO -0.29 0.53 0.94 -1.54 -0.10 0.00 0.00 175.22 174.77 1ckj s SER 104 N -0.42 6.43 0.24 1.36 1.04 -1.26 -4.71 113.70 116.38 1ckj s SER 104 Ca 0.12 1.37 -0.07 0.00 0.48 0.00 0.00 55.95 57.85 1ckj s SER 104 Cb -0.12 -2.44 0.43 0.00 0.10 0.00 0.00 66.02 63.99 1ckj s SER 104 CO 0.01 -0.65 1.65 0.25 0.98 0.00 0.00 173.24 175.49 1ckj h LEU 105 N 0.48 -0.23 -0.66 2.42 5.85 -1.98 -0.66 115.31 120.52 1ckj h LEU 105 Ca -0.46 0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.49 1ckj h LEU 105 Cb 1.19 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 42.46 1ckj h LEU 105 CO 0.62 -0.13 0.37 0.50 -0.34 0.00 0.00 178.44 179.46 1ckj h LYS 106 N 0.15 0.68 -0.39 1.25 3.64 -1.98 0.17 116.57 120.08 1ckj h LYS 106 Ca 0.40 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.65 1ckj h LYS 106 Cb 0.70 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1ckj h LYS 106 CO -0.60 0.45 -0.10 1.15 -2.27 0.00 0.00 179.45 178.08 1ckj h THR 107 N 0.70 1.28 -0.25 1.00 2.02 -1.54 0.32 112.91 116.44 1ckj h THR 107 Ca 0.29 -1.19 0.02 0.00 0.77 0.00 0.00 66.41 66.29 1ckj h THR 107 Cb 0.15 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1ckj h THR 107 CO -0.16 0.40 0.11 0.58 0.37 0.00 0.00 175.52 176.82 1ckj h VAL 108 N 0.58 0.97 -0.59 3.16 2.07 -0.57 0.30 116.25 122.17 1ckj h VAL 108 Ca 0.10 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1ckj h VAL 108 Cb 0.63 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1ckj h VAL 108 CO 0.04 0.04 0.26 -0.07 0.02 0.00 0.00 177.57 177.87 1ckj h LEU 109 N 0.24 0.78 -1.10 2.57 3.38 -0.48 0.30 115.31 121.01 1ckj h LEU 109 Ca 0.11 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1ckj h LEU 109 Cb 0.05 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1ckj h LEU 109 CO -0.09 0.71 0.26 0.25 0.09 0.00 0.00 178.44 179.66 1ckj h LEU 110 N 0.80 0.82 0.01 1.67 5.85 0.02 -2.67 115.31 121.81 1ckj h LEU 110 Ca 0.20 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 1ckj h LEU 110 Cb 0.15 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 40.98 1ckj h LEU 110 CO -0.02 0.72 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.41 1ckj h LEU 111 N 0.88 0.26 -0.89 2.25 3.38 0.23 -3.33 115.31 118.09 1ckj h LEU 111 Ca 0.21 -0.82 0.18 0.00 0.09 0.00 0.00 57.88 57.55 1ckj h LEU 111 Cb 0.16 -0.08 -0.11 0.00 0.09 0.00 0.00 40.66 40.72 1ckj h LEU 111 CO -0.02 1.05 0.46 0.00 0.09 0.00 0.00 178.44 180.01 1ckj h ALA 112 N 0.22 1.41 -0.77 1.53 0.00 -0.35 -0.53 119.26 120.77 1ckj h ALA 112 Ca -0.04 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1ckj h ALA 112 Cb 1.11 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1ckj h ALA 112 CO 0.06 -0.17 0.47 0.22 0.00 0.00 0.00 179.25 179.83 1ckj h ASP 113 N 0.57 0.72 0.22 0.00 3.58 -1.58 -1.47 116.42 118.47 1ckj h ASP 113 Ca 0.52 0.02 -0.31 0.00 0.42 0.00 0.00 57.03 57.68 1ckj h ASP 113 Cb 0.85 -0.13 0.03 0.00 1.72 0.00 0.00 39.33 41.80 1ckj h ASP 113 CO -0.42 0.47 -1.31 1.56 -2.88 0.00 0.00 179.24 176.66 1ckj h GLN 114 N 0.86 0.57 -0.84 0.28 4.20 -1.29 -3.21 115.11 115.67 1ckj h GLN 114 Ca 0.34 -0.82 -0.00 0.00 0.06 0.00 0.00 58.65 58.23 1ckj h GLN 114 Cb 0.16 0.28 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 1ckj h GLN 114 CO -0.17 1.38 0.52 0.52 -0.67 0.00 0.00 178.83 180.41 1ckj h MET 115 N 0.22 1.14 0.00 1.46 2.86 -0.83 -0.24 114.93 119.54 1ckj h MET 115 Ca -0.20 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.28 1ckj h MET 115 Cb 1.99 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 33.39 1ckj h MET 115 CO 0.24 0.79 -0.31 0.82 1.06 0.00 0.00 176.91 179.51 1ckj h ILE 116 N 1.16 0.96 0.08 -1.22 2.04 -1.38 -1.91 117.51 117.24 1ckj h ILE 116 Ca 0.31 -1.16 -0.26 0.00 1.00 0.00 0.00 64.86 64.74 1ckj h ILE 116 Cb -0.07 1.68 0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1ckj h ILE 116 CO -0.06 0.30 -1.13 0.28 0.00 0.00 0.00 178.15 177.55 1ckj h SER 117 N 0.00 0.62 -0.39 1.72 0.02 -1.10 -0.70 113.55 113.72 1ckj h SER 117 Ca -0.00 -0.56 -0.09 0.00 -0.84 0.00 0.00 61.79 60.29 1ckj h SER 117 Cb 0.65 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1ckj h SER 117 CO 0.04 1.39 -0.12 0.03 -1.14 0.00 0.00 176.83 177.02 1ckj h ARG 118 N 0.20 0.78 -0.36 3.45 2.47 -1.06 -1.28 114.38 118.58 1ckj h ARG 118 Ca -0.13 -0.31 -0.03 0.00 -1.26 0.00 0.00 59.98 58.25 1ckj h ARG 118 Cb 1.80 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 30.07 1ckj h ARG 118 CO 0.20 0.92 0.09 0.82 0.56 0.00 0.00 179.97 182.56 1ckj h ILE 119 N 0.58 1.22 -0.96 2.04 2.04 -1.36 -2.15 117.51 118.93 1ckj h ILE 119 Ca 0.10 -0.75 0.09 0.00 1.00 0.00 0.00 64.86 65.29 1ckj h ILE 119 Cb 0.65 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 1ckj h ILE 119 CO 0.04 0.26 0.62 -0.08 0.00 0.00 0.00 178.15 178.99 1ckj h GLU 120 N 0.43 1.00 -0.43 2.37 4.81 -0.94 -2.49 114.58 119.33 1ckj h GLU 120 Ca 0.11 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1ckj h GLU 120 Cb 0.30 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1ckj h GLU 120 CO 0.00 0.66 -0.02 -0.92 -0.73 0.00 0.00 179.01 178.00 1ckj h TYR 121 N 1.03 0.85 -0.82 0.92 3.20 -0.77 -2.24 116.97 119.14 1ckj h TYR 121 Ca 0.44 -0.16 0.01 0.00 3.14 0.00 0.00 58.73 62.16 1ckj h TYR 121 Cb 0.31 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 1ckj h TYR 121 CO -0.00 0.85 0.54 0.82 -1.64 0.00 0.00 178.16 178.73 1ckj h ILE 122 N 0.61 1.21 -0.66 1.81 2.04 -0.96 -2.62 117.51 118.94 1ckj h ILE 122 Ca 0.12 -0.38 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 1ckj h ILE 122 Cb 0.52 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 1ckj h ILE 122 CO 0.03 0.20 0.10 0.45 0.00 0.00 0.00 178.15 178.93 1ckj h HIS 123 N 1.10 1.16 0.00 1.37 3.86 -1.37 -1.91 115.15 119.36 1ckj h HIS 123 Ca 0.30 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1ckj h HIS 123 Cb -0.12 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.03 1ckj h HIS 123 CO -0.02 0.98 -0.00 0.66 0.86 0.00 0.00 177.93 180.41 1ckj h SER 124 N 1.01 0.00 -0.46 2.45 4.64 -1.03 0.12 113.55 120.29 1ckj h SER 124 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1ckj h SER 124 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1ckj h SER 124 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 1ckj n LYS 125 N -3.37 3.88 -1.06 4.77 4.76 -0.74 -4.93 118.16 121.47 1ckj n LYS 125 Ca -0.03 -2.42 -0.02 0.00 -2.87 0.00 0.00 58.31 52.97 1ckj n LYS 125 Cb 0.08 -2.04 -0.01 0.00 -1.84 0.00 0.00 35.03 31.22 1ckj n LYS 125 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1ckj n ASN 126 N 0.56 -3.87 -4.41 4.39 3.02 0.43 -5.03 115.26 110.34 1ckj n ASN 126 Ca 0.21 0.05 -0.25 0.00 -0.03 0.00 0.00 54.58 54.56 1ckj n ASN 126 Cb 0.94 -1.55 -0.11 0.00 -0.61 0.00 0.00 39.78 38.44 1ckj n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1ckj s PHE 127 N -1.87 2.18 -0.02 3.10 0.08 -1.07 0.03 117.98 120.42 1ckj s PHE 127 Ca 0.00 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.71 1ckj s PHE 127 Cb 0.00 -1.06 -0.03 0.00 -0.57 0.00 0.00 43.02 41.36 1ckj s PHE 127 CO 0.00 0.49 -0.14 0.96 -0.10 0.00 0.00 175.22 176.43 1ckj s ILE 128 N -1.88 3.10 0.03 0.64 -4.36 0.67 -2.93 121.20 116.48 1ckj s ILE 128 Ca 0.21 -0.83 -0.18 0.00 -0.26 0.00 0.00 60.65 59.59 1ckj s ILE 128 Cb -0.07 -2.26 -0.20 0.00 1.25 0.00 0.00 42.46 41.18 1ckj s ILE 128 CO 0.10 0.51 1.19 -0.74 0.24 0.00 0.00 174.94 176.23 1ckj h HIS 129 N 5.04 0.69 0.00 1.37 -0.00 -1.92 -1.96 115.15 118.38 1ckj h HIS 129 Ca -0.47 -0.33 0.00 0.00 -0.00 0.00 0.00 60.37 59.57 1ckj h HIS 129 Cb 1.16 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.47 1ckj h HIS 129 CO 0.52 1.12 0.00 0.54 -0.00 0.00 0.00 177.93 180.11 1ckj n ARG 130 N -4.21 0.00 -3.02 5.26 1.74 -1.26 -3.07 116.66 112.09 1ckj n ARG 130 Ca -0.09 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.83 1ckj n ARG 130 Cb 0.64 -2.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.31 1ckj n ARG 130 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ckj n ASP 131 N 0.00 -0.57 -4.61 0.55 2.03 -1.26 -4.31 116.55 108.38 1ckj n ASP 131 Ca 0.00 -3.14 -0.43 0.00 0.52 0.00 0.00 54.79 51.74 1ckj n ASP 131 Cb 0.00 0.31 -0.02 0.00 -0.72 0.00 0.00 41.12 40.69 1ckj n ASP 131 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ckj s VAL 132 N -1.09 4.27 0.11 5.18 1.01 -1.26 -4.84 120.40 123.77 1ckj s VAL 132 Ca 0.34 1.34 -0.12 0.00 0.00 0.00 0.00 61.98 63.54 1ckj s VAL 132 Cb 0.28 -4.53 0.01 0.00 0.00 0.00 0.00 36.38 32.14 1ckj s VAL 132 CO -0.10 -0.86 0.28 -1.59 0.00 0.00 0.00 175.10 172.83 1ckj s LYS 133 N 4.27 0.96 0.61 2.72 -2.85 -1.26 -4.74 119.74 119.45 1ckj s LYS 133 Ca 0.48 -0.87 0.31 0.00 -1.00 0.00 0.00 55.97 54.89 1ckj s LYS 133 Cb -0.09 0.40 1.70 0.00 -2.06 0.00 0.00 37.83 37.78 1ckj s LYS 133 CO 0.28 -0.34 1.95 -1.00 0.10 0.00 0.00 175.35 176.33 1ckj h PRO 134 N 2.58 0.00 0.00 1.78 0.13 -1.94 -0.88 132.00 133.67 1ckj h PRO 134 Ca -0.34 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.64 1ckj h PRO 134 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1ckj h PRO 134 CO 0.52 0.00 -0.73 -0.44 -0.23 0.00 0.00 178.00 177.12 1ckj h ASP 135 N 0.00 0.00 -0.24 1.44 5.19 -1.96 -2.34 116.42 118.51 1ckj h ASP 135 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ckj h ASP 135 Cb 0.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.97 1ckj h ASP 135 CO 0.00 0.73 0.00 0.59 -3.12 0.00 0.00 179.24 177.44 1ckj n ASN 136 N -3.32 2.90 -3.94 6.45 3.02 -0.33 -4.71 115.26 115.32 1ckj n ASN 136 Ca 0.01 -2.37 -0.21 0.00 -0.03 0.00 0.00 54.58 51.98 1ckj n ASN 136 Cb 0.81 -0.56 -0.16 0.00 -0.61 0.00 0.00 39.78 39.26 1ckj n ASN 136 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1ckj s PHE 137 N -1.72 0.97 0.14 3.10 0.08 -1.24 -0.72 117.98 118.59 1ckj s PHE 137 Ca 0.22 -0.31 0.06 0.00 0.12 0.00 0.00 56.93 57.03 1ckj s PHE 137 Cb 0.17 -0.79 -0.04 0.00 -0.57 0.00 0.00 43.02 41.79 1ckj s PHE 137 CO 0.07 -0.21 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.33 1ckj s LEU 138 N 0.80 2.45 0.02 -0.37 1.43 -0.21 -1.99 118.68 120.80 1ckj s LEU 138 Ca -0.13 -0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 51.98 1ckj s LEU 138 Cb -0.15 -0.55 -0.05 0.00 0.03 0.00 0.00 46.19 45.47 1ckj s LEU 138 CO 0.01 -0.18 0.36 -0.04 0.23 0.00 0.00 176.35 176.74 1ckj s MET 139 N -3.03 3.76 1.01 1.70 -1.94 -0.67 0.97 119.30 121.10 1ckj s MET 139 Ca 0.13 0.20 -0.17 0.00 -1.71 0.00 0.00 55.69 54.14 1ckj s MET 139 Cb -0.03 -3.11 0.25 0.00 2.01 0.00 0.00 34.83 33.95 1ckj s MET 139 CO 0.03 0.65 0.82 0.41 -0.01 0.00 0.00 175.02 176.92 1ckj n GLY 140 N 1.40 -2.98 3.44 -0.03 0.00 -0.44 0.62 105.19 107.20 1ckj n GLY 140 Ca -0.12 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 1ckj n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ckj s LEU 143 N 0.00 2.52 0.00 0.99 1.43 -1.26 -4.07 118.68 118.30 1ckj s LEU 143 Ca 0.55 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1ckj s LEU 143 Cb -0.06 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.78 1ckj s LEU 143 CO 0.43 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.79 1ckj n GLY 144 N 0.79 3.54 0.29 -3.19 0.00 -1.26 -1.64 105.19 103.72 1ckj n GLY 144 Ca -0.16 0.23 0.06 0.00 0.00 0.00 0.00 46.02 46.15 1ckj n GLY 144 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ckj h LYS 145 N 0.00 0.34 -0.34 1.61 1.57 -2.06 -0.25 116.57 117.44 1ckj h LYS 145 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1ckj h LYS 145 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1ckj h LYS 145 CO 0.00 0.22 0.00 1.63 -0.57 0.00 0.00 179.45 180.73 1ckj n LYS 146 N -4.50 1.89 0.11 3.15 4.76 -0.65 -4.53 118.16 118.40 1ckj n LYS 146 Ca 0.01 -1.38 0.04 0.00 -2.87 0.00 0.00 58.31 54.12 1ckj n LYS 146 Cb 0.09 -1.34 0.22 0.00 -1.84 0.00 0.00 35.03 32.16 1ckj n LYS 146 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ckj n GLY 147 N 1.15 -0.48 0.64 0.72 0.00 -0.11 -0.87 105.19 106.24 1ckj n GLY 147 Ca 0.14 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.31 1ckj n GLY 147 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ckj n ASN 148 N -1.79 3.21 -4.51 1.61 4.13 -1.26 -4.47 115.26 112.17 1ckj n ASN 148 Ca -0.01 -2.53 -0.34 0.00 1.68 0.00 0.00 54.58 53.38 1ckj n ASN 148 Cb 0.32 -0.36 -0.12 0.00 -1.54 0.00 0.00 39.78 38.08 1ckj n ASN 148 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1ckj s LEU 149 N -1.95 3.26 -0.04 3.41 0.20 -0.05 -4.99 118.68 118.52 1ckj s LEU 149 Ca 0.30 -0.11 -0.23 0.00 0.69 0.00 0.00 54.13 54.78 1ckj s LEU 149 Cb 0.22 -1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 44.16 1ckj s LEU 149 CO 0.10 0.19 0.68 -0.69 -0.29 0.00 0.00 176.35 176.34 1ckj s VAL 150 N 0.24 4.97 0.04 1.68 1.01 -1.26 -1.33 120.40 125.75 1ckj s VAL 150 Ca -0.03 1.41 0.03 0.00 0.00 0.00 0.00 61.98 63.39 1ckj s VAL 150 Cb -0.14 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1ckj s VAL 150 CO 0.03 0.31 0.02 -0.31 0.00 0.00 0.00 175.10 175.15 1ckj s TYR 151 N 0.42 3.09 -0.19 5.22 1.51 0.27 -4.58 117.35 123.10 1ckj s TYR 151 Ca 0.36 0.06 -0.02 0.00 -1.01 0.00 0.00 57.07 56.45 1ckj s TYR 151 Cb -0.18 -1.62 -0.01 0.00 -0.11 0.00 0.00 41.96 40.04 1ckj s TYR 151 CO 0.18 0.49 -0.08 -1.50 -1.11 0.00 0.00 175.55 173.53 1ckj s ILE 152 N -1.23 3.22 0.41 2.71 2.07 -0.17 -1.05 121.20 127.16 1ckj s ILE 152 Ca 0.24 -0.56 0.05 0.00 -1.41 0.00 0.00 60.65 58.96 1ckj s ILE 152 Cb -0.12 -2.42 -0.06 0.00 0.13 0.00 0.00 42.46 39.99 1ckj s ILE 152 CO 0.16 0.47 0.03 0.27 -1.91 0.00 0.00 174.94 173.95 1ckj s ILE 153 N 1.07 1.54 -0.15 2.00 -4.36 0.10 -4.43 121.20 116.97 1ckj s ILE 153 Ca 0.00 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.37 1ckj s ILE 153 Cb -0.15 -2.73 0.00 0.00 1.25 0.00 0.00 42.46 40.83 1ckj s ILE 153 CO -0.01 0.00 0.09 -0.67 0.24 0.00 0.00 174.94 174.58 1ckj n ASP 154 N -0.99 -4.52 -2.30 4.36 -0.08 -1.26 -4.81 116.55 106.95 1ckj n ASP 154 Ca -0.07 0.48 -0.33 0.00 -1.51 0.00 0.00 54.79 53.35 1ckj n ASP 154 Cb 0.67 -2.83 0.09 0.00 2.34 0.00 0.00 41.12 41.39 1ckj n ASP 154 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1ckj n PHE 155 N 0.05 3.19 -0.04 -0.67 3.72 -1.26 -4.59 117.46 117.87 1ckj n PHE 155 Ca 0.02 -2.88 -0.16 0.00 -0.05 0.00 0.00 57.45 54.38 1ckj n PHE 155 Cb 0.07 -1.36 -0.08 0.00 -0.94 0.00 0.00 39.48 37.17 1ckj n PHE 155 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1ckj h GLY 156 N 1.90 0.62 -1.92 1.37 0.00 -1.93 -3.25 103.07 99.85 1ckj h GLY 156 Ca 0.60 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1ckj h GLY 156 CO 1.51 0.74 0.00 1.04 0.00 0.00 0.00 176.54 179.83 1ckj n LEU 157 N -4.22 2.99 -4.74 3.11 4.77 -1.26 -5.00 117.00 112.65 1ckj n LEU 157 Ca -0.07 -1.28 -0.34 0.00 -0.03 0.00 0.00 56.01 54.29 1ckj n LEU 157 Cb 0.59 -0.21 0.07 0.00 -2.33 0.00 0.00 43.42 41.54 1ckj n LEU 157 CO 0.46 0.64 0.80 0.00 -1.33 0.00 0.00 177.39 177.96 1ckj s ALA 158 N -1.58 2.30 0.00 -1.18 0.00 -1.18 -4.65 121.76 115.48 1ckj s ALA 158 Ca 0.37 0.85 -0.09 0.00 0.00 0.00 0.00 51.96 53.09 1ckj s ALA 158 Cb 0.21 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.90 1ckj s ALA 158 CO 0.30 -1.57 0.18 0.15 0.00 0.00 0.00 175.76 174.82 1ckj s LYS 159 N -3.79 0.55 0.02 0.00 1.02 -0.73 -4.97 119.74 111.84 1ckj s LYS 159 Ca 0.74 -0.39 -0.30 0.00 0.02 0.00 0.00 55.97 56.03 1ckj s LYS 159 Cb -0.28 0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 37.22 1ckj s LYS 159 CO 0.41 -0.14 1.18 0.21 -0.92 0.00 0.00 175.35 176.09 1ckj s LYS 160 N -1.55 4.42 0.00 1.68 2.47 -1.26 -0.24 119.74 125.26 1ckj s LYS 160 Ca -0.13 1.70 0.19 0.00 -1.56 0.00 0.00 55.97 56.17 1ckj s LYS 160 Cb -0.06 -3.43 0.23 0.00 -1.46 0.00 0.00 37.83 33.11 1ckj s LYS 160 CO 0.01 -0.30 1.18 2.48 0.16 0.00 0.00 175.35 178.88 1ckj n TYR 161 N 4.37 0.16 -3.55 4.03 0.18 0.10 -4.89 117.16 117.56 1ckj n TYR 161 Ca 0.09 -0.10 -0.11 0.00 1.88 0.00 0.00 57.90 59.66 1ckj n TYR 161 Cb 0.47 -0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.38 1ckj n TYR 161 CO 0.00 0.00 0.00 -0.98 -2.08 0.00 0.00 176.86 173.80 1ckj s ARG 162 N -1.49 0.74 0.16 -3.48 1.70 -1.25 -1.92 118.95 113.41 1ckj s ARG 162 Ca 0.26 0.06 -0.31 0.00 -0.47 0.00 0.00 55.73 55.27 1ckj s ARG 162 Cb 0.17 0.35 -0.11 0.00 -0.57 0.00 0.00 34.95 34.79 1ckj s ARG 162 CO 0.25 -0.26 1.75 0.34 -1.08 0.00 0.00 175.30 176.30 1ckj s ASP 163 N -1.45 6.43 0.17 -2.89 -1.08 -0.75 -4.84 116.67 112.25 1ckj s ASP 163 Ca -0.02 2.77 0.15 0.00 -0.52 0.00 0.00 52.55 54.93 1ckj s ASP 163 Cb -0.00 -2.58 0.72 0.00 -1.46 0.00 0.00 42.92 39.59 1ckj s ASP 163 CO 0.01 -0.97 1.46 0.00 0.52 0.00 0.00 175.17 176.19 1ckj n ALA 164 N 4.78 1.26 -0.03 3.66 0.00 -1.26 0.64 120.51 129.56 1ckj n ALA 164 Ca 0.16 0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.63 1ckj n ALA 164 Cb 0.37 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 1ckj n ALA 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ckj n ARG 165 N -1.93 0.30 0.19 0.00 1.74 -1.26 -4.70 116.66 111.00 1ckj n ARG 165 Ca 0.00 0.12 0.08 0.00 -0.77 0.00 0.00 57.85 57.28 1ckj n ARG 165 Cb 0.09 -1.02 0.19 0.00 -1.02 0.00 0.00 32.46 30.70 1ckj n ARG 165 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1ckj h THR 166 N -0.56 0.48 -0.52 0.55 1.35 -1.97 -3.47 112.91 108.77 1ckj h THR 166 Ca -0.01 -1.52 -0.22 0.00 -0.55 0.00 0.00 66.41 64.10 1ckj h THR 166 Cb 0.58 2.11 -0.09 0.00 -1.73 0.00 0.00 68.15 69.03 1ckj h THR 166 CO -0.01 0.26 -0.20 1.41 -0.25 0.00 0.00 175.52 176.72 1ckj n HIS 167 N -3.21 0.00 -2.32 4.73 8.25 0.21 -4.94 115.22 117.94 1ckj n HIS 167 Ca 0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.05 1ckj n HIS 167 Cb 0.59 -2.13 -0.02 0.00 1.12 0.00 0.00 29.99 29.54 1ckj n HIS 167 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1ckj s GLN 168 N -2.85 4.07 0.47 -0.41 0.74 -1.26 -4.47 119.66 115.95 1ckj s GLN 168 Ca 0.00 1.62 -0.25 0.00 0.05 0.00 0.00 55.36 56.78 1ckj s GLN 168 Cb 0.00 -3.87 -0.08 0.00 1.10 0.00 0.00 33.01 30.16 1ckj s GLN 168 CO 0.00 -0.94 1.43 -1.58 -0.55 0.00 0.00 175.29 173.65 1ckj s HIS 169 N 4.09 2.41 0.56 1.67 5.65 -1.26 -1.81 115.29 126.60 1ckj s HIS 169 Ca 0.60 1.26 -0.21 0.00 0.25 0.00 0.00 55.06 56.96 1ckj s HIS 169 Cb -0.22 -3.93 -0.04 0.00 -1.18 0.00 0.00 32.58 27.21 1ckj s HIS 169 CO 0.21 -3.00 1.36 0.44 -0.65 0.00 0.00 174.74 173.10 1ckj n ILE 170 N -0.32 4.01 -1.47 0.89 -5.35 -0.81 -4.94 119.36 111.38 1ckj n ILE 170 Ca 0.06 -0.50 -0.32 0.00 -0.27 0.00 0.00 62.75 61.72 1ckj n ILE 170 Cb 0.42 -1.66 0.07 0.00 -1.74 0.00 0.00 39.64 36.73 1ckj n ILE 170 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1ckj s PRO 171 N -2.96 2.46 -0.62 6.28 0.04 -1.26 -4.96 135.00 133.98 1ckj s PRO 171 Ca 0.73 1.30 -0.28 0.00 0.04 0.00 0.00 61.00 62.79 1ckj s PRO 171 Cb -0.41 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.25 1ckj s PRO 171 CO 0.48 -1.50 1.20 -0.47 0.04 0.00 0.00 177.00 176.75 1ckj s TYR 172 N -2.61 2.54 0.24 0.56 5.04 -1.26 -4.95 117.35 116.91 1ckj s TYR 172 Ca 0.64 0.29 0.02 0.00 -2.44 0.00 0.00 57.07 55.59 1ckj s TYR 172 Cb -0.19 -4.53 -0.01 0.00 0.35 0.00 0.00 41.96 37.58 1ckj s TYR 172 CO 0.49 -1.69 0.27 0.54 -1.34 0.00 0.00 175.55 173.82 1ckj n ARG 173 N 8.62 0.39 -3.52 4.97 1.74 -1.26 -5.06 116.66 122.54 1ckj n ARG 173 Ca 0.07 -2.21 -0.33 0.00 -0.77 0.00 0.00 57.85 54.62 1ckj n ARG 173 Cb 0.49 1.94 -0.05 0.00 -1.02 0.00 0.00 32.46 33.82 1ckj n ARG 173 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1ckj s GLU 174 N -2.78 3.77 0.21 5.56 -1.05 -1.26 -1.74 118.70 121.41 1ckj s GLU 174 Ca 0.25 0.18 -0.31 0.00 -0.15 0.00 0.00 54.97 54.95 1ckj s GLU 174 Cb 0.00 -2.83 -0.10 0.00 -0.44 0.00 0.00 34.13 30.77 1ckj s GLU 174 CO 0.18 0.44 1.51 1.21 0.95 0.00 0.00 175.26 179.55 1ckj s ASN 175 N -2.14 6.60 -0.39 0.83 3.84 -0.65 -4.70 114.94 118.33 1ckj s ASN 175 Ca 0.41 2.67 0.12 0.00 0.21 0.00 0.00 52.86 56.27 1ckj s ASN 175 Cb -0.13 -2.61 0.37 0.00 -0.55 0.00 0.00 41.25 38.34 1ckj s ASN 175 CO 0.21 -0.78 0.82 0.29 -2.79 0.00 0.00 177.10 174.85 1ckj n LYS 176 N 3.06 1.39 -0.82 0.43 5.02 -1.26 -4.99 118.16 120.99 1ckj n LYS 176 Ca 0.10 -3.59 0.00 0.00 -2.02 0.00 0.00 58.31 52.80 1ckj n LYS 176 Cb 0.39 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1ckj n LYS 176 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ckj n ASN 177 N 0.12 0.00 -4.80 4.39 2.85 -1.26 -5.15 115.26 111.40 1ckj n ASN 177 Ca 0.23 -0.56 -0.38 0.00 -0.11 0.00 0.00 54.58 53.76 1ckj n ASN 177 Cb 0.66 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.62 1ckj n ASN 177 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1ckj s LEU 178 N 0.00 4.42 0.30 1.20 1.02 -1.26 -5.09 118.68 119.27 1ckj s LEU 178 Ca 0.00 0.96 0.05 0.00 0.02 0.00 0.00 54.13 55.16 1ckj s LEU 178 Cb 0.00 -2.66 -0.02 0.00 0.02 0.00 0.00 46.19 43.53 1ckj s LEU 178 CO 0.00 0.22 0.43 -0.89 0.02 0.00 0.00 176.35 176.13 1ckj s THR 179 N -0.55 4.62 0.00 5.49 2.01 -1.26 -5.02 115.64 120.93 1ckj s THR 179 Ca 0.25 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.29 1ckj s THR 179 Cb -0.17 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.72 1ckj s THR 179 CO 0.13 -0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.42 1ckj n GLY 180 N -1.56 2.57 3.65 4.40 0.00 -1.26 -5.02 105.19 107.97 1ckj n GLY 180 Ca -0.04 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1ckj n GLY 180 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ckj s THR 181 N 2.52 3.15 0.59 2.61 2.01 -1.26 -4.86 115.64 120.39 1ckj s THR 181 Ca 0.00 0.18 0.34 0.00 0.31 0.00 0.00 61.69 62.51 1ckj s THR 181 Cb 0.00 -3.13 0.37 0.00 0.01 0.00 0.00 72.50 69.76 1ckj s THR 181 CO 0.00 -0.03 2.27 0.00 -0.69 0.00 0.00 174.62 176.17 1ckj h ALA 182 N 10.93 1.35 -0.44 7.40 0.00 -1.97 -2.58 119.26 133.96 1ckj h ALA 182 Ca -0.46 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1ckj h ALA 182 Cb 1.22 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1ckj h ALA 182 CO 0.95 0.02 -0.12 -0.09 0.00 0.00 0.00 179.25 180.00 1ckj h ARG 183 N 0.00 0.80 -0.35 0.00 2.43 -1.96 -3.19 114.38 112.11 1ckj h ARG 183 Ca -0.00 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1ckj h ARG 183 Cb 0.04 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1ckj h ARG 183 CO 0.00 0.88 0.00 0.66 -1.51 0.00 0.00 179.97 180.00 1ckj n TYR 184 N -4.16 0.46 -2.06 2.20 4.01 -1.06 -5.03 117.16 111.53 1ckj n TYR 184 Ca 0.01 -0.36 -0.37 0.00 -0.16 0.00 0.00 57.90 57.02 1ckj n TYR 184 Cb 0.38 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.41 1ckj n TYR 184 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ckj s ALA 185 N -1.07 2.77 0.64 -0.72 0.00 -1.00 -4.09 121.76 118.29 1ckj s ALA 185 Ca 0.28 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 53.18 1ckj s ALA 185 Cb 0.15 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1ckj s ALA 185 CO 0.21 -1.01 1.04 -1.54 0.00 0.00 0.00 175.76 174.46 1ckj s SER 186 N -1.37 5.94 0.28 0.00 1.04 -1.26 -4.87 113.70 113.46 1ckj s SER 186 Ca 0.71 1.51 -0.00 0.00 0.48 0.00 0.00 55.95 58.64 1ckj s SER 186 Cb -0.32 -2.48 0.49 0.00 0.10 0.00 0.00 66.02 63.81 1ckj s SER 186 CO 0.37 -1.06 1.85 0.40 0.98 0.00 0.00 173.24 175.78 1ckj h ILE 187 N -0.38 0.98 -0.80 -1.02 1.08 -1.97 -1.65 117.51 113.75 1ckj h ILE 187 Ca -0.44 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 63.65 1ckj h ILE 187 Cb 1.20 -0.17 -0.04 0.00 -3.07 0.00 0.00 36.82 34.74 1ckj h ILE 187 CO 0.60 0.19 0.45 0.78 -0.69 0.00 0.00 178.15 179.48 1ckj h ASN 188 N 1.06 1.00 -0.68 1.72 2.35 -1.92 0.55 115.58 119.65 1ckj h ASN 188 Ca 0.47 -0.09 0.08 0.00 -0.55 0.00 0.00 56.30 56.21 1ckj h ASN 188 Cb 0.36 -0.25 -0.07 0.00 0.05 0.00 0.00 38.32 38.41 1ckj h ASN 188 CO -0.23 0.81 0.35 0.74 -1.65 0.00 0.00 177.43 177.44 1ckj h THR 189 N 1.11 0.89 -0.08 2.81 2.02 -1.50 -0.37 112.91 117.79 1ckj h THR 189 Ca 0.28 -0.21 -0.08 0.00 0.77 0.00 0.00 66.41 67.17 1ckj h THR 189 Cb 0.02 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 1ckj h THR 189 CO -0.05 0.11 -0.31 0.45 0.37 0.00 0.00 175.52 176.10 1ckj h HIS 190 N 0.61 0.17 -0.00 3.16 3.86 -0.88 -1.97 115.15 120.10 1ckj h HIS 190 Ca 0.33 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 1ckj h HIS 190 Cb 0.30 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1ckj h HIS 190 CO -0.10 0.45 -0.01 1.28 0.86 0.00 0.00 177.93 180.41 1ckj n LEU 191 N -4.13 0.13 0.00 2.43 4.77 0.04 -4.91 117.00 115.33 1ckj n LEU 191 Ca -0.01 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1ckj n LEU 191 Cb 0.39 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1ckj n LEU 191 CO 0.40 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1ckj n GLY 192 N 1.12 0.47 3.90 -0.72 0.00 -0.58 -5.05 105.19 104.31 1ckj n GLY 192 Ca 0.20 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1ckj n GLY 192 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ckj s ILE 193 N -2.00 5.21 0.39 -0.61 1.01 -0.46 -1.63 121.20 123.11 1ckj s ILE 193 Ca 0.00 0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.40 1ckj s ILE 193 Cb 0.00 -3.62 -0.11 0.00 0.01 0.00 0.00 42.46 38.75 1ckj s ILE 193 CO 0.00 0.12 1.45 1.21 0.00 0.00 0.00 174.94 177.71 1ckj n GLU 194 N 0.32 2.50 -3.19 2.79 4.07 -0.71 -4.34 120.64 122.09 1ckj n GLU 194 Ca -0.04 0.88 -0.33 0.00 -0.06 0.00 0.00 57.16 57.60 1ckj n GLU 194 Cb 0.52 -2.61 -0.06 0.00 -0.06 0.00 0.00 31.44 29.23 1ckj n GLU 194 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1ckj s GLN 195 N -2.16 4.01 0.03 5.31 -0.21 -1.26 -4.94 119.66 120.45 1ckj s GLN 195 Ca 0.55 0.63 -0.00 0.00 0.02 0.00 0.00 55.36 56.57 1ckj s GLN 195 Cb -0.48 -2.57 0.00 0.00 1.00 0.00 0.00 33.01 30.96 1ckj s GLN 195 CO 0.62 0.24 0.04 -1.13 -2.12 0.00 0.00 175.29 172.94 1ckj n SER 196 N -0.07 -0.11 -0.30 5.90 3.41 -1.26 -5.03 113.62 116.15 1ckj n SER 196 Ca 0.02 -1.18 0.03 0.00 -0.26 0.00 0.00 58.87 57.48 1ckj n SER 196 Cb 0.53 0.22 0.11 0.00 -0.26 0.00 0.00 64.21 64.80 1ckj n SER 196 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1ckj h ARG 197 N 0.00 -0.00 -0.66 4.33 3.08 -1.91 -0.57 114.38 118.66 1ckj h ARG 197 Ca -0.02 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.11 1ckj h ARG 197 Cb 0.11 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1ckj h ARG 197 CO 0.03 -0.00 0.44 0.07 -1.07 0.00 0.00 179.97 179.44 1ckj h ARG 198 N -0.00 0.56 -0.09 0.04 0.11 -1.86 -2.45 114.38 110.69 1ckj h ARG 198 Ca 0.41 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 60.36 1ckj h ARG 198 Cb 0.62 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.57 1ckj h ARG 198 CO -0.88 0.37 -0.37 -0.44 0.10 0.00 0.00 179.97 178.75 1ckj h ASP 199 N 0.58 0.20 -0.39 0.08 3.32 -1.44 -1.33 116.42 117.44 1ckj h ASP 199 Ca 0.30 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 1ckj h ASP 199 Cb 0.40 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1ckj h ASP 199 CO -0.09 0.56 -0.12 0.44 -1.72 0.00 0.00 179.24 178.30 1ckj h ASP 200 N 0.16 0.84 1.02 6.45 3.32 -1.46 -2.45 116.42 124.31 1ckj h ASP 200 Ca 0.02 -0.26 -0.10 0.00 0.02 0.00 0.00 57.03 56.70 1ckj h ASP 200 Cb 0.74 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1ckj h ASP 200 CO 0.06 0.98 -0.49 -0.07 -1.72 0.00 0.00 179.24 178.00 1ckj h LEU 201 N 0.76 0.00 -0.07 1.55 3.38 -1.46 -2.98 115.31 116.50 1ckj h LEU 201 Ca 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1ckj h LEU 201 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1ckj h LEU 201 CO 0.04 0.49 -0.18 -0.08 0.09 0.00 0.00 178.44 178.80 1ckj h GLU 202 N 0.00 0.25 -0.86 1.13 4.81 -0.90 -2.74 114.58 116.27 1ckj h GLU 202 Ca -0.00 -0.17 0.11 0.00 -0.13 0.00 0.00 59.36 59.16 1ckj h GLU 202 Cb 1.13 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.47 1ckj h GLU 202 CO 0.06 0.78 0.56 0.77 -0.73 0.00 0.00 179.01 180.45 1ckj h SER 203 N -0.25 0.71 -0.88 1.04 0.02 -1.47 0.28 113.55 113.01 1ckj h SER 203 Ca -0.00 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1ckj h SER 203 Cb 0.79 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.17 1ckj h SER 203 CO 0.04 0.40 0.58 0.25 -1.14 0.00 0.00 176.83 176.97 1ckj h LEU 204 N 0.78 1.00 -1.10 5.07 5.85 -1.46 0.14 115.31 125.60 1ckj h LEU 204 Ca 0.41 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 59.25 1ckj h LEU 204 Cb 0.51 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.21 1ckj h LEU 204 CO -0.17 0.72 0.61 1.23 -0.34 0.00 0.00 178.44 180.49 1ckj h GLY 205 N 1.18 1.53 1.08 3.75 0.00 -0.13 0.25 103.07 110.73 1ckj h GLY 205 Ca 0.33 -0.37 -0.19 0.00 0.00 0.00 0.00 47.33 47.09 1ckj h GLY 205 CO -0.08 0.09 -0.66 -0.97 0.00 0.00 0.00 176.54 174.92 1ckj h TYR 206 N 0.85 0.97 -0.47 5.60 0.05 -0.74 -1.24 116.97 121.98 1ckj h TYR 206 Ca 0.50 -0.42 0.02 0.00 0.05 0.00 0.00 58.73 58.89 1ckj h TYR 206 Cb 0.66 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 38.21 1ckj h TYR 206 CO -0.00 1.23 0.27 0.28 -1.05 0.00 0.00 178.16 178.89 1ckj h VAL 207 N 0.43 1.03 -0.45 -2.88 2.07 0.91 0.17 116.25 117.53 1ckj h VAL 207 Ca -0.04 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1ckj h VAL 207 Cb 1.29 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1ckj h VAL 207 CO 0.14 0.10 0.26 -0.07 0.02 0.00 0.00 177.57 178.01 1ckj h LEU 208 N 0.55 0.56 -1.29 2.57 3.38 -0.52 -1.34 115.31 119.21 1ckj h LEU 208 Ca 0.19 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1ckj h LEU 208 Cb 0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1ckj h LEU 208 CO -0.10 0.48 -0.35 0.24 0.09 0.00 0.00 178.44 178.80 1ckj h MET 209 N 0.60 0.00 -0.58 1.13 2.86 -0.62 -2.48 114.93 115.83 1ckj h MET 209 Ca 0.16 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.70 1ckj h MET 209 Cb 0.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1ckj h MET 209 CO -0.03 0.35 -0.05 -0.92 1.06 0.00 0.00 176.91 177.33 1ckj h TYR 210 N 0.00 1.15 -0.24 -0.22 3.20 0.05 0.12 116.97 121.03 1ckj h TYR 210 Ca -0.00 -0.21 -0.08 0.00 3.14 0.00 0.00 58.73 61.57 1ckj h TYR 210 Cb 0.64 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1ckj h TYR 210 CO 0.00 1.03 -0.19 0.74 -1.64 0.00 0.00 178.16 178.10 1ckj h PHE 211 N 0.94 0.46 0.16 -3.82 0.04 -0.94 0.11 116.94 113.89 1ckj h PHE 211 Ca 0.16 -0.08 -0.30 0.00 2.80 0.00 0.00 57.97 60.55 1ckj h PHE 211 Cb 0.61 -0.12 0.01 0.00 2.20 0.00 0.00 35.95 38.65 1ckj h PHE 211 CO 0.04 0.60 -1.39 -0.91 -0.60 0.00 0.00 178.31 176.05 1ckj h ASN 212 N 0.38 0.53 0.69 2.17 2.35 -1.08 -3.25 115.58 117.38 1ckj h ASN 212 Ca 0.07 -0.61 -0.17 0.00 -0.55 0.00 0.00 56.30 55.04 1ckj h ASN 212 Cb 0.56 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1ckj h ASN 212 CO 0.04 1.48 -1.42 0.18 -1.65 0.00 0.00 177.43 176.06 1ckj n LEU 213 N -3.56 0.85 0.00 1.61 4.32 0.39 -4.94 117.00 115.66 1ckj n LEU 213 Ca -0.13 0.37 0.00 0.00 -0.02 0.00 0.00 56.01 56.23 1ckj n LEU 213 Cb 1.05 0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.93 1ckj n LEU 213 CO 0.55 0.14 0.00 0.61 -1.22 0.00 0.00 177.39 177.47 1ckj n GLY 214 N 1.39 2.90 3.55 -0.72 0.00 0.37 -4.92 105.19 107.76 1ckj n GLY 214 Ca -0.10 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 1ckj n GLY 214 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ckj s SER 215 N 0.61 -0.37 0.34 1.61 1.04 -1.24 -4.95 113.70 110.75 1ckj s SER 215 Ca 0.00 0.25 -0.14 0.00 0.48 0.00 0.00 55.95 56.54 1ckj s SER 215 Cb 0.00 0.33 -0.08 0.00 0.10 0.00 0.00 66.02 66.37 1ckj s SER 215 CO 0.00 -0.45 0.74 -0.76 0.98 0.00 0.00 173.24 173.76 1ckj s LEU 216 N -1.66 4.00 0.48 2.42 1.43 -1.26 -4.86 118.68 119.23 1ckj s LEU 216 Ca 0.01 1.24 0.15 0.00 -1.03 0.00 0.00 54.13 54.50 1ckj s LEU 216 Cb -0.01 -4.07 1.15 0.00 0.03 0.00 0.00 46.19 43.30 1ckj s LEU 216 CO -0.02 -0.26 2.08 1.55 0.23 0.00 0.00 176.35 179.93 1ckj h PRO 217 N 1.99 0.20 -0.55 1.29 0.13 -1.99 -0.47 132.00 132.60 1ckj h PRO 217 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ckj h PRO 217 Cb 1.18 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ckj h PRO 217 CO 0.65 0.13 0.00 -2.67 -0.23 0.00 0.00 178.00 175.88 1ckj n TRP 218 N -4.49 0.81 -3.09 1.56 2.14 -1.26 -4.91 117.44 108.21 1ckj n TRP 218 Ca 0.03 -0.34 -0.39 0.00 2.07 0.00 0.00 57.50 58.86 1ckj n TRP 218 Cb 0.21 -0.12 -0.05 0.00 -0.81 0.00 0.00 31.31 30.54 1ckj n TRP 218 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ckj s GLN 219 N -1.63 4.42 -0.78 -2.67 0.74 -0.19 -4.40 119.66 115.15 1ckj s GLN 219 Ca 0.30 0.81 -0.04 0.00 0.05 0.00 0.00 55.36 56.49 1ckj s GLN 219 Cb 0.18 -3.44 -0.05 0.00 1.10 0.00 0.00 33.01 30.80 1ckj s GLN 219 CO 0.16 0.08 0.68 0.41 -0.55 0.00 0.00 175.29 176.08 1ckj n GLY 220 N 3.12 -0.57 0.16 2.59 0.00 -1.26 -4.94 105.19 104.29 1ckj n GLY 220 Ca -0.02 0.32 0.06 0.00 0.00 0.00 0.00 46.02 46.38 1ckj n GLY 220 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ckj h LEU 221 N -0.85 0.00 -2.84 0.99 3.38 -1.94 -3.49 115.31 110.56 1ckj h LEU 221 Ca -0.45 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.40 1ckj h LEU 221 Cb 1.23 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.99 1ckj h LEU 221 CO 0.33 0.30 -0.90 1.17 0.09 0.00 0.00 178.44 179.42 1ckj n LYS 222 N -3.12 -2.09 -0.19 1.13 0.00 -1.26 -5.03 118.16 107.59 1ckj n LYS 222 Ca 0.02 1.81 0.00 0.00 0.00 0.00 0.00 58.31 60.13 1ckj n LYS 222 Cb 0.66 -3.69 0.00 0.00 0.00 0.00 0.00 35.03 32.00 1ckj n LYS 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ckj n ALA 223 N 0.20 0.00 -1.81 3.14 0.00 -1.26 -5.12 120.51 115.66 1ckj n ALA 223 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 1ckj n ALA 223 Cb 0.45 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.02 1ckj n ALA 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ckj n ALA 224 N -3.00 -0.73 0.29 0.00 0.00 -1.26 -4.98 120.51 110.83 1ckj n ALA 224 Ca 0.00 -1.17 0.17 0.00 0.00 0.00 0.00 53.44 52.44 1ckj n ALA 224 Cb 0.00 0.01 0.65 0.00 0.00 0.00 0.00 19.45 20.11 1ckj n ALA 224 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1ckj h THR 225 N -1.27 0.00 -3.40 0.00 1.35 -1.99 -3.46 112.91 104.14 1ckj h THR 225 Ca -0.26 -0.49 -0.53 0.00 -0.55 0.00 0.00 66.41 64.58 1ckj h THR 225 Cb 0.78 1.46 0.22 0.00 -1.73 0.00 0.00 68.15 68.87 1ckj h THR 225 CO 0.21 0.00 -0.56 1.17 -0.25 0.00 0.00 175.52 176.09 1ckj n LYS 226 N -2.99 -0.37 -0.24 4.72 4.81 -1.26 -4.89 118.16 117.94 1ckj n LYS 226 Ca 0.01 -0.07 0.14 0.00 -0.87 0.00 0.00 58.31 57.52 1ckj n LYS 226 Cb 0.30 -1.87 0.43 0.00 0.02 0.00 0.00 35.03 33.90 1ckj n LYS 226 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ckj h ARG 227 N -1.61 0.57 -4.87 1.64 3.08 -2.05 -3.41 114.38 107.74 1ckj h ARG 227 Ca -0.44 -0.03 -0.68 0.00 0.07 0.00 0.00 59.98 58.90 1ckj h ARG 227 Cb 1.28 -0.13 -0.33 0.00 0.08 0.00 0.00 29.97 30.88 1ckj h ARG 227 CO 0.35 0.38 -0.75 -1.14 -1.07 0.00 0.00 179.97 177.74 1ckj s GLN 228 N -5.58 2.64 -0.04 0.04 0.74 -1.26 -4.85 119.66 111.34 1ckj s GLN 228 Ca -0.09 -1.11 0.19 0.00 0.05 0.00 0.00 55.36 54.39 1ckj s GLN 228 Cb 0.22 -3.01 -0.22 0.00 1.10 0.00 0.00 33.01 31.10 1ckj s GLN 228 CO 0.78 -0.48 0.51 1.17 -0.55 0.00 0.00 175.29 176.72 1ckj n LYS 229 N 4.62 0.65 0.31 1.67 4.81 -1.26 -4.04 118.16 124.91 1ckj n LYS 229 Ca -0.15 0.04 0.21 0.00 -0.87 0.00 0.00 58.31 57.53 1ckj n LYS 229 Cb 0.45 -1.64 1.05 0.00 0.02 0.00 0.00 35.03 34.91 1ckj n LYS 229 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1ckj h TYR 230 N 0.00 0.00 -0.55 5.64 0.05 -1.98 -0.89 116.97 119.24 1ckj h TYR 230 Ca -0.24 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.44 1ckj h TYR 230 Cb 1.62 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.34 1ckj h TYR 230 CO 0.00 0.00 -0.08 1.49 -1.05 0.00 0.00 178.16 178.52 1ckj h GLU 231 N 0.00 1.03 -0.12 4.88 4.57 -1.98 0.97 114.58 123.92 1ckj h GLU 231 Ca 0.00 -0.37 -0.03 0.00 -1.18 0.00 0.00 59.36 57.79 1ckj h GLU 231 Cb 0.10 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1ckj h GLU 231 CO 0.00 1.06 -0.03 0.00 -1.18 0.00 0.00 179.01 178.86 1ckj h ARG 232 N 0.91 0.24 -0.02 1.92 3.08 -1.42 -2.17 114.38 116.91 1ckj h ARG 232 Ca 0.15 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 60.14 1ckj h ARG 232 Cb 0.65 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.64 1ckj h ARG 232 CO 0.04 0.53 -0.23 0.82 -1.07 0.00 0.00 179.97 180.07 1ckj h ILE 233 N -0.07 0.47 -0.65 2.04 2.04 -1.37 0.21 117.51 120.18 1ckj h ILE 233 Ca 0.03 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.02 1ckj h ILE 233 Cb 0.44 0.47 -0.12 0.00 -0.74 0.00 0.00 36.82 36.87 1ckj h ILE 233 CO 0.01 0.00 -0.15 0.28 0.00 0.00 0.00 178.15 178.29 1ckj h SER 234 N -0.35 -0.58 0.68 1.72 0.02 -0.74 0.24 113.55 114.54 1ckj h SER 234 Ca 0.07 0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 1ckj h SER 234 Cb 0.44 0.40 0.01 0.00 0.14 0.00 0.00 62.40 63.38 1ckj h SER 234 CO -0.22 -0.21 -0.33 -0.33 -1.14 0.00 0.00 176.83 174.60 1ckj h GLU 235 N 0.01 -0.88 -0.94 3.45 4.39 -0.70 -0.83 114.58 119.08 1ckj h GLU 235 Ca 0.32 0.06 0.19 0.00 0.34 0.00 0.00 59.36 60.26 1ckj h GLU 235 Cb 0.48 0.20 -0.11 0.00 -0.10 0.00 0.00 28.75 29.23 1ckj h GLU 235 CO -0.66 -0.56 0.52 -0.22 -1.16 0.00 0.00 179.01 176.93 1ckj h LYS 236 N -1.12 0.62 -0.18 2.33 1.63 -0.07 0.35 116.57 120.14 1ckj h LYS 236 Ca -0.09 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.65 1ckj h LYS 236 Cb 0.73 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.22 1ckj h LYS 236 CO 0.15 0.41 0.03 -0.22 -3.45 0.00 0.00 179.45 176.37 1ckj h LYS 237 N 0.64 0.29 0.00 1.90 3.64 -0.42 -1.78 116.57 120.84 1ckj h LYS 237 Ca 0.55 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.83 1ckj h LYS 237 Cb 0.88 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1ckj h LYS 237 CO -0.41 0.46 -0.11 0.52 -2.27 0.00 0.00 179.45 177.63 1ckj h MET 238 N 0.08 0.00 0.00 1.90 2.86 -0.26 -3.10 114.93 116.41 1ckj h MET 238 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1ckj h MET 238 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1ckj h MET 238 CO 0.00 0.11 -0.41 0.77 1.06 0.00 0.00 176.91 178.45 1ckj h SER 239 N 0.00 0.00 -3.34 1.22 0.02 -0.82 -3.43 113.55 107.21 1ckj h SER 239 Ca -0.00 -0.05 -0.68 0.00 -0.84 0.00 0.00 61.79 60.22 1ckj h SER 239 Cb 0.86 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.22 1ckj h SER 239 CO 0.01 0.02 0.01 -0.89 -1.14 0.00 0.00 176.83 174.85 1ckj s THR 240 N -3.22 4.91 0.44 -2.27 2.01 -0.68 -5.05 115.64 111.77 1ckj s THR 240 Ca 0.05 -0.41 -0.24 0.00 0.31 0.00 0.00 61.69 61.40 1ckj s THR 240 Cb 0.09 -4.25 -0.08 0.00 0.01 0.00 0.00 72.50 68.28 1ckj s THR 240 CO 0.70 -0.72 1.16 -2.16 -0.69 0.00 0.00 174.62 172.91 1ckj s PRO 241 N 2.56 3.88 0.35 4.92 0.04 -1.26 -4.84 135.00 140.65 1ckj s PRO 241 Ca 0.15 1.78 0.12 0.00 0.04 0.00 0.00 61.00 63.09 1ckj s PRO 241 Cb -0.18 -2.50 0.93 0.00 0.04 0.00 0.00 34.50 32.78 1ckj s PRO 241 CO 0.13 -0.45 1.76 0.82 0.04 0.00 0.00 177.00 179.30 1ckj h ILE 242 N 2.04 0.58 0.00 0.56 2.04 -1.96 0.31 117.51 121.07 1ckj h ILE 242 Ca -0.49 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 1ckj h ILE 242 Cb 1.24 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1ckj h ILE 242 CO 0.61 0.10 -0.19 -0.33 0.00 0.00 0.00 178.15 178.34 1ckj h GLU 243 N 0.56 0.00 0.18 2.37 3.07 -1.95 -0.09 114.58 118.71 1ckj h GLU 243 Ca 0.61 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 59.14 1ckj h GLU 243 Cb 1.24 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.16 1ckj h GLU 243 CO -0.38 0.19 -1.58 0.28 -1.40 0.00 0.00 179.01 176.12 1ckj h VAL 244 N 0.00 1.03 -0.23 3.13 2.07 -1.36 -3.09 116.25 117.81 1ckj h VAL 244 Ca -0.00 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.01 1ckj h VAL 244 Cb 0.33 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1ckj h VAL 244 CO 0.02 0.81 0.15 0.25 0.02 0.00 0.00 177.57 178.82 1ckj h LEU 245 N -0.02 0.27 -1.12 2.57 5.85 -0.88 -2.67 115.31 119.31 1ckj h LEU 245 Ca -0.31 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1ckj h LEU 245 Cb 2.00 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.96 1ckj h LEU 245 CO 0.16 0.21 0.00 0.00 -0.34 0.00 0.00 178.44 178.47 1ckj n LYS 247 N 0.37 2.29 -0.54 0.00 4.81 -1.01 -1.80 118.16 122.28 1ckj n LYS 247 Ca 0.10 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 1ckj n LYS 247 Cb 0.26 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 32.68 1ckj n LYS 247 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ckj n GLY 248 N 3.69 0.73 3.35 3.14 0.00 -1.26 -5.06 105.19 109.77 1ckj n GLY 248 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 1ckj n GLY 248 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ckj s TYR 249 N -2.08 1.65 0.21 1.61 2.02 -0.74 -5.11 117.35 114.91 1ckj s TYR 249 Ca 0.00 -0.78 -0.32 0.00 -0.37 0.00 0.00 57.07 55.60 1ckj s TYR 249 Cb 0.00 -0.91 -0.13 0.00 -0.40 0.00 0.00 41.96 40.52 1ckj s TYR 249 CO 0.00 0.13 1.56 -2.30 -1.57 0.00 0.00 175.55 173.37 1ckj n PRO 250 N -0.43 2.31 -0.09 -1.71 -0.02 -1.26 -4.85 135.00 128.95 1ckj n PRO 250 Ca -0.06 0.83 0.26 0.00 -2.02 0.00 0.00 63.50 62.50 1ckj n PRO 250 Cb 0.63 -2.58 0.68 0.00 -0.02 0.00 0.00 33.50 32.20 1ckj n PRO 250 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ckj h SER 251 N 5.45 0.00 -0.66 2.55 4.64 -1.99 -2.03 113.55 121.51 1ckj h SER 251 Ca -0.45 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.06 1ckj h SER 251 Cb 1.25 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 1ckj h SER 251 CO 0.85 0.00 0.53 -0.33 -0.87 0.00 0.00 176.83 177.01 1ckj h GLU 252 N 0.00 0.00 -0.10 4.77 3.07 -1.93 -0.21 114.58 120.17 1ckj h GLU 252 Ca 0.36 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 59.09 1ckj h GLU 252 Cb 1.82 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.74 1ckj h GLU 252 CO -0.00 0.00 -0.46 0.74 -1.40 0.00 0.00 179.01 177.88 1ckj h PHE 253 N 0.00 0.66 -0.38 4.33 0.04 -1.73 -1.23 116.94 118.64 1ckj h PHE 253 Ca 0.31 -0.29 -0.14 0.00 2.80 0.00 0.00 57.97 60.65 1ckj h PHE 253 Cb 1.37 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 39.41 1ckj h PHE 253 CO 0.00 1.06 -0.34 0.00 -0.60 0.00 0.00 178.31 178.43 1ckj h ALA 254 N 0.47 0.69 0.00 2.45 0.00 -1.37 -2.00 119.26 119.50 1ckj h ALA 254 Ca -0.03 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1ckj h ALA 254 Cb 1.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1ckj h ALA 254 CO 0.10 0.67 -0.21 1.15 0.00 0.00 0.00 179.25 180.95 1ckj h THR 255 N 0.71 1.09 0.41 0.00 2.02 -1.13 -0.86 112.91 115.14 1ckj h THR 255 Ca 0.07 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 1ckj h THR 255 Cb 0.90 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1ckj h THR 255 CO 0.08 0.21 -0.20 0.22 0.37 0.00 0.00 175.52 176.20 1ckj h TYR 256 N 0.00 -0.51 -0.45 3.16 3.20 -0.52 -2.76 116.97 119.10 1ckj h TYR 256 Ca -0.00 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.88 1ckj h TYR 256 Cb 0.39 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 1ckj h TYR 256 CO 0.00 -0.19 0.25 -0.07 -1.64 0.00 0.00 178.16 176.51 1ckj h LEU 257 N -0.98 0.38 -0.25 2.82 3.38 -1.24 -2.50 115.31 116.92 1ckj h LEU 257 Ca -0.06 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1ckj h LEU 257 Cb 0.55 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1ckj h LEU 257 CO 0.09 0.27 0.03 0.78 0.09 0.00 0.00 178.44 179.70 1ckj h ASN 258 N 0.49 -0.03 -0.71 -0.43 2.35 -1.26 -1.50 115.58 114.50 1ckj h ASN 258 Ca 0.19 0.05 0.08 0.00 -0.55 0.00 0.00 56.30 56.06 1ckj h ASN 258 Cb 0.06 0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.43 1ckj h ASN 258 CO -0.11 0.02 0.37 0.15 -1.65 0.00 0.00 177.43 176.21 1ckj h PHE 259 N 0.12 0.68 -0.38 1.19 3.57 -1.22 -1.50 116.94 119.40 1ckj h PHE 259 Ca 0.12 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 1ckj h PHE 259 Cb 0.13 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1ckj h PHE 259 CO -0.17 0.28 -0.10 0.00 -2.23 0.00 0.00 178.31 176.09 1ckj h ARG 261 N 0.61 0.01 -0.01 0.00 2.47 -0.34 -3.19 114.38 113.94 1ckj h ARG 261 Ca 0.11 -0.01 -0.17 0.00 -1.26 0.00 0.00 59.98 58.65 1ckj h ARG 261 Cb 0.53 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.83 1ckj h ARG 261 CO 0.03 0.46 -0.79 0.66 0.56 0.00 0.00 179.97 180.89 1ckj h SER 262 N 0.01 0.14 -3.05 7.04 4.64 -1.02 -3.46 113.55 117.85 1ckj h SER 262 Ca -0.00 -0.10 -0.58 0.00 -0.47 0.00 0.00 61.79 60.63 1ckj h SER 262 Cb 0.79 -0.04 0.13 0.00 -0.31 0.00 0.00 62.40 62.97 1ckj h SER 262 CO 0.06 0.87 0.15 0.18 -0.87 0.00 0.00 176.83 177.22 1ckj n LEU 263 N -3.68 2.58 -4.88 5.97 4.77 -1.12 -4.98 117.00 115.65 1ckj n LEU 263 Ca -0.02 1.03 -0.29 0.00 -0.03 0.00 0.00 56.01 56.69 1ckj n LEU 263 Cb 0.75 -1.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.47 1ckj n LEU 263 CO 0.45 -1.51 0.42 -0.13 -1.33 0.00 0.00 177.39 175.30 1ckj s ARG 264 N -2.01 3.71 0.35 3.23 0.52 -1.26 -4.96 118.95 118.52 1ckj s ARG 264 Ca 0.63 0.37 0.15 0.00 -0.52 0.00 0.00 55.73 56.36 1ckj s ARG 264 Cb -0.56 -2.41 1.14 0.00 0.52 0.00 0.00 34.95 33.65 1ckj s ARG 264 CO 0.57 -0.06 1.60 0.35 0.02 0.00 0.00 175.30 177.77 1ckj h PHE 265 N 1.03 0.64 -0.13 -0.53 3.57 -1.99 -1.01 116.94 118.53 1ckj h PHE 265 Ca -0.47 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1ckj h PHE 265 Cb 1.19 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1ckj h PHE 265 CO 0.60 -0.40 0.00 -0.40 -2.23 0.00 0.00 178.31 175.88 1ckj n ASP 266 N -5.26 2.73 -4.77 0.41 5.68 -1.26 -4.62 116.55 109.46 1ckj n ASP 266 Ca 0.33 -1.81 -0.41 0.00 -0.50 0.00 0.00 54.79 52.40 1ckj n ASP 266 Cb 1.09 -0.07 -0.02 0.00 -1.14 0.00 0.00 41.12 40.98 1ckj n ASP 266 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1ckj s ASP 267 N -1.44 6.70 -0.08 -1.12 1.01 -0.38 -4.97 116.67 116.39 1ckj s ASP 267 Ca 0.25 2.72 -0.28 0.00 0.71 0.00 0.00 52.55 55.96 1ckj s ASP 267 Cb 0.16 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.42 1ckj s ASP 267 CO 0.24 -0.61 0.90 -0.75 0.21 0.00 0.00 175.17 175.16 1ckj s LYS 268 N -1.52 4.44 0.45 8.23 2.20 -1.26 -4.76 119.74 127.52 1ckj s LYS 268 Ca 0.52 1.22 -0.23 0.00 -0.36 0.00 0.00 55.97 57.11 1ckj s LYS 268 Cb -0.41 -3.51 -0.08 0.00 -1.51 0.00 0.00 37.83 32.33 1ckj s LYS 268 CO 0.52 -0.17 1.14 -2.14 -0.36 0.00 0.00 175.35 174.35 1ckj s PRO 269 N 1.51 3.82 -1.17 4.03 0.02 -1.26 -4.94 135.00 137.01 1ckj s PRO 269 Ca 0.45 1.73 -0.17 0.00 0.02 0.00 0.00 61.00 63.03 1ckj s PRO 269 Cb -0.19 -2.42 0.12 0.00 0.02 0.00 0.00 34.50 32.04 1ckj s PRO 269 CO 0.20 -0.49 1.48 0.34 -0.33 0.00 0.00 177.00 178.19 1ckj s ASP 270 N -1.41 6.87 0.16 2.53 -1.08 -1.26 -4.84 116.67 117.65 1ckj s ASP 270 Ca 0.63 -2.52 -0.16 0.00 -0.52 0.00 0.00 52.55 49.98 1ckj s ASP 270 Cb -0.27 -2.47 0.05 0.00 -1.46 0.00 0.00 42.92 38.77 1ckj s ASP 270 CO 0.33 -1.00 1.79 1.88 0.52 0.00 0.00 175.17 178.69 1ckj h TYR 271 N 7.82 0.39 -0.87 -5.34 0.05 -1.98 -2.62 116.97 114.42 1ckj h TYR 271 Ca 0.32 0.02 0.06 0.00 0.05 0.00 0.00 58.73 59.18 1ckj h TYR 271 Cb 0.91 -0.12 -0.06 0.00 1.01 0.00 0.00 36.73 38.48 1ckj h TYR 271 CO 1.23 0.21 0.57 0.66 -1.05 0.00 0.00 178.16 179.78 1ckj h SER 272 N 0.43 0.86 -0.47 3.88 4.64 -1.99 0.15 113.55 121.06 1ckj h SER 272 Ca 0.16 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.50 1ckj h SER 272 Cb 0.05 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 1ckj h SER 272 CO -0.10 0.56 0.29 0.22 -0.87 0.00 0.00 176.83 176.93 1ckj h TYR 273 N 0.98 0.55 -0.62 4.77 3.20 -1.88 0.52 116.97 124.49 1ckj h TYR 273 Ca 0.37 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.19 1ckj h TYR 273 Cb 0.19 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 1ckj h TYR 273 CO -0.00 0.33 0.14 -0.07 -1.64 0.00 0.00 178.16 176.92 1ckj h LEU 274 N 0.59 0.95 -0.81 2.82 3.38 -0.70 -1.13 115.31 120.42 1ckj h LEU 274 Ca 0.18 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1ckj h LEU 274 Cb -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1ckj h LEU 274 CO -0.06 0.94 -0.29 0.03 0.09 0.00 0.00 178.44 179.14 1ckj h ARG 275 N 0.91 0.56 -0.53 1.13 3.08 -0.27 -3.10 114.38 116.15 1ckj h ARG 275 Ca 0.19 -0.23 0.02 0.00 0.07 0.00 0.00 59.98 60.03 1ckj h ARG 275 Cb 0.37 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1ckj h ARG 275 CO 0.00 0.79 0.32 0.37 -1.07 0.00 0.00 179.97 180.39 1ckj h GLN 276 N 0.48 0.63 -0.26 0.04 5.75 0.60 -0.77 115.11 121.58 1ckj h GLN 276 Ca 0.06 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.56 1ckj h GLN 276 Cb 0.75 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.13 1ckj h GLN 276 CO 0.06 0.41 0.03 -0.07 -2.65 0.00 0.00 178.83 176.61 1ckj h LEU 277 N 0.64 -0.04 -0.19 -2.39 3.38 -1.15 -1.47 115.31 114.10 1ckj h LEU 277 Ca 0.21 0.05 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 1ckj h LEU 277 Cb 0.01 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1ckj h LEU 277 CO -0.09 0.01 -0.44 -0.26 0.09 0.00 0.00 178.44 177.75 1ckj h PHE 278 N 0.11 0.80 -0.66 1.13 0.04 -1.54 -2.96 116.94 113.86 1ckj h PHE 278 Ca 0.12 -0.30 0.00 0.00 2.80 0.00 0.00 57.97 60.59 1ckj h PHE 278 Cb 0.14 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 1ckj h PHE 278 CO -0.18 1.07 0.43 0.00 -0.60 0.00 0.00 178.31 179.03 1ckj h ARG 279 N 0.31 0.88 -0.95 1.51 3.08 -1.05 0.17 114.38 118.33 1ckj h ARG 279 Ca -0.00 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.03 1ckj h ARG 279 Cb 1.05 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.85 1ckj h ARG 279 CO 0.10 0.60 0.62 -0.91 -1.07 0.00 0.00 179.97 179.30 1ckj h ASN 280 N 0.90 1.00 -0.37 7.04 -0.26 -1.29 0.76 115.58 123.36 1ckj h ASN 280 Ca 0.24 -0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.83 1ckj h ASN 280 Cb -0.08 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 36.95 1ckj h ASN 280 CO -0.05 0.67 -0.34 0.25 -1.06 0.00 0.00 177.43 176.90 1ckj h LEU 281 N 1.15 0.94 0.46 1.61 5.85 -1.17 -1.12 115.31 123.03 1ckj h LEU 281 Ca 0.39 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1ckj h LEU 281 Cb 0.08 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1ckj h LEU 281 CO -0.13 1.20 -0.35 0.15 -0.34 0.00 0.00 178.44 178.97 1ckj h PHE 282 N 0.69 -0.94 -0.42 1.25 3.57 0.36 -1.27 116.94 120.18 1ckj h PHE 282 Ca 0.06 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1ckj h PHE 282 Cb 0.93 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 1ckj h PHE 282 CO 0.06 -0.52 0.28 0.45 -2.23 0.00 0.00 178.31 176.36 1ckj h HIS 283 N -0.80 0.51 0.22 0.41 3.86 -0.88 -2.79 115.15 115.69 1ckj h HIS 283 Ca -0.05 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 1ckj h HIS 283 Cb 0.68 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1ckj h HIS 283 CO -0.15 0.32 -0.11 -0.09 0.86 0.00 0.00 177.93 178.75 1ckj h ARG 284 N 0.54 -0.29 0.00 2.45 2.43 -0.75 -2.29 114.38 116.48 1ckj h ARG 284 Ca 0.16 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1ckj h ARG 284 Cb -0.02 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1ckj h ARG 284 CO -0.04 -0.04 0.00 1.04 -1.51 0.00 0.00 179.97 179.42 1ckj n GLN 285 N -5.13 0.31 -2.80 0.20 1.13 -0.52 -4.84 117.38 105.73 1ckj n GLN 285 Ca -0.09 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.88 1ckj n GLN 285 Cb 0.21 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.09 1ckj n GLN 285 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ckj n GLY 286 N -0.38 0.23 3.86 1.08 0.00 -0.86 -5.04 105.19 104.08 1ckj n GLY 286 Ca 0.07 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1ckj n GLY 286 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ckj s PHE 287 N -3.14 3.66 0.23 1.61 0.08 -1.09 -5.05 117.98 114.27 1ckj s PHE 287 Ca 0.14 0.74 -0.25 0.00 0.12 0.00 0.00 56.93 57.67 1ckj s PHE 287 Cb -0.06 -2.10 -0.09 0.00 -0.57 0.00 0.00 43.02 40.20 1ckj s PHE 287 CO 0.31 0.69 0.83 -1.12 -0.10 0.00 0.00 175.22 175.83 1ckj s SER 288 N -1.03 7.35 -1.26 1.36 0.01 -1.26 -4.72 113.70 114.16 1ckj s SER 288 Ca 0.19 1.69 -0.05 0.00 1.31 0.00 0.00 55.95 59.09 1ckj s SER 288 Cb -0.14 -2.52 0.10 0.00 0.21 0.00 0.00 66.02 63.67 1ckj s SER 288 CO 0.08 0.10 2.45 0.00 0.41 0.00 0.00 173.24 176.28 1ckj n TYR 289 N 1.15 2.49 -3.50 2.43 4.19 -1.26 -4.89 117.16 117.78 1ckj n TYR 289 Ca -0.03 -2.75 -0.21 0.00 3.31 0.00 0.00 57.90 58.22 1ckj n TYR 289 Cb 0.49 -1.82 -0.01 0.00 0.49 0.00 0.00 39.34 38.49 1ckj n TYR 289 CO 0.00 0.00 0.00 0.16 0.91 0.00 0.00 176.86 177.93 1ckj s ASP 290 N 0.45 6.11 -0.69 2.98 1.47 -1.26 -5.00 116.67 120.73 1ckj s ASP 290 Ca 0.55 0.11 -0.02 0.00 1.18 0.00 0.00 52.55 54.37 1ckj s ASP 290 Cb 0.20 -1.63 0.37 0.00 -0.34 0.00 0.00 42.92 41.53 1ckj s ASP 290 CO -0.10 -0.36 2.08 -1.22 0.68 0.00 0.00 175.17 176.25 1ckj n TYR 291 N -1.69 2.91 -3.13 2.11 4.01 -1.26 -4.87 117.16 115.23 1ckj n TYR 291 Ca -0.03 -2.63 -0.43 0.00 -0.16 0.00 0.00 57.90 54.65 1ckj n TYR 291 Cb 0.57 -1.32 -0.07 0.00 -0.31 0.00 0.00 39.34 38.22 1ckj n TYR 291 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1ckj s VAL 292 N -4.56 4.85 0.38 -0.72 1.01 -1.26 -4.98 120.40 115.13 1ckj s VAL 292 Ca 0.57 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.53 1ckj s VAL 292 Cb 0.46 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1ckj s VAL 292 CO -0.17 -0.66 0.48 -0.36 0.00 0.00 0.00 175.10 174.40 1ckj s PHE 293 N 2.74 2.92 0.19 5.22 0.08 -1.26 -4.93 117.98 122.94 1ckj s PHE 293 Ca 0.20 -0.33 -0.21 0.00 0.12 0.00 0.00 56.93 56.70 1ckj s PHE 293 Cb -0.16 -2.16 0.13 0.00 -0.57 0.00 0.00 43.02 40.26 1ckj s PHE 293 CO 0.16 -0.18 1.59 -0.44 -0.10 0.00 0.00 175.22 176.25 1ckj h ASP 294 N 0.84 -1.17 0.00 1.36 3.32 -1.96 0.72 116.42 119.52 1ckj h ASP 294 Ca -0.43 0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1ckj h ASP 294 Cb 1.27 0.58 0.00 0.00 0.22 0.00 0.00 39.33 41.40 1ckj h ASP 294 CO 0.50 -0.30 0.06 -2.67 -1.72 0.00 0.00 179.24 175.11 1ckj n TRP 295 N -5.43 0.51 0.03 4.55 2.14 -1.26 -0.88 117.44 117.10 1ckj n TRP 295 Ca 0.04 0.27 -0.14 0.00 2.07 0.00 0.00 57.50 59.74 1ckj n TRP 295 Cb 0.36 -0.88 -0.14 0.00 -0.81 0.00 0.00 31.31 29.83 1ckj n TRP 295 CO 0.00 0.00 0.00 -0.91 2.07 0.00 0.00 177.69 178.85 1ckj h ASN 296 N 0.00 0.23 1.30 -0.67 -0.26 -1.24 -3.34 115.58 111.60 1ckj h ASN 296 Ca 0.00 -0.38 -0.14 0.00 -0.56 0.00 0.00 56.30 55.23 1ckj h ASN 296 Cb 0.12 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.29 1ckj h ASN 296 CO 0.00 1.32 -0.65 0.24 -1.06 0.00 0.00 177.43 177.28 1ckj h MET 297 N 0.04 0.00 -0.50 0.81 2.86 -0.88 -3.32 114.93 113.94 1ckj h MET 297 Ca -0.25 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.53 1ckj h MET 297 Cb 1.99 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.63 1ckj h MET 297 CO 0.12 0.65 0.64 1.25 1.06 0.00 0.00 176.91 180.63 1ckj h LEU 298 N 0.00 0.00 0.00 1.22 5.85 -1.45 0.12 115.31 121.05 1ckj h LEU 298 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1ckj h LEU 298 Cb 1.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.51 1ckj h LEU 298 CO 0.08 0.00 0.00 2.29 -0.34 0.00 0.00 178.44 180.47 1ckj n LYS 299 N -3.47 0.03 -0.08 1.25 2.85 -1.25 -2.40 118.16 115.09 1ckj n LYS 299 Ca 0.10 0.21 0.03 0.00 -1.05 0.00 0.00 58.31 57.60 1ckj n LYS 299 Cb 0.83 -1.50 0.07 0.00 -0.65 0.00 0.00 35.03 33.78 1ckj n LYS 299 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1ckj n PHE 300 N -1.48 0.21 0.00 5.58 3.72 0.41 -5.22 117.46 120.69 1ckj n PHE 300 Ca 0.04 -0.42 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 1ckj n PHE 300 Cb 0.19 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 1ckj n PHE 300 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12