#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 4.48 -0.28 3.17 2.12 -1.26 -4.96 118.70 121.98 1ckj s GLU 2 Ca 0.00 1.86 -0.29 0.00 0.36 0.00 0.00 54.97 56.90 1ckj s GLU 2 Cb 0.00 -3.26 -0.02 0.00 0.26 0.00 0.00 34.13 31.11 1ckj s GLU 2 CO 0.00 -0.11 1.76 -1.17 -0.54 0.00 0.00 175.26 175.19 1ckj s LEU 3 N -0.01 3.64 -0.20 2.70 2.96 -1.26 -4.98 118.68 121.54 1ckj s LEU 3 Ca 0.54 1.45 -0.00 0.00 -0.22 0.00 0.00 54.13 55.90 1ckj s LEU 3 Cb -0.32 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 42.89 1ckj s LEU 3 CO 0.35 -1.56 -0.05 -0.60 -1.32 0.00 0.00 176.35 173.17 1ckj s ARG 4 N 5.34 1.54 -0.21 1.98 3.52 -1.26 -2.39 118.95 127.47 1ckj s ARG 4 Ca 0.78 -0.75 -0.29 0.00 -0.13 0.00 0.00 55.73 55.34 1ckj s ARG 4 Cb -0.24 -2.32 0.01 0.00 -1.56 0.00 0.00 34.95 30.84 1ckj s ARG 4 CO 0.33 -0.51 1.05 0.08 -0.81 0.00 0.00 175.30 175.43 1ckj s VAL 8 N 1.52 4.67 -0.93 7.11 1.01 0.90 -3.70 120.40 130.98 1ckj s VAL 8 Ca -0.02 2.00 0.00 0.00 0.00 0.00 0.00 61.98 63.96 1ckj s VAL 8 Cb -0.17 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1ckj s VAL 8 CO -0.07 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.49 1ckj n GLY 9 N 3.30 0.87 2.59 4.51 0.00 -1.26 -2.01 105.19 113.20 1ckj n GLY 9 Ca 0.12 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.00 -5.27 0.00 1.61 5.03 -1.24 -4.76 115.26 109.62 1ckj n ASN 10 Ca -0.09 0.36 0.00 0.00 0.87 0.00 0.00 54.58 55.73 1ckj n ASN 10 Cb 0.54 -4.06 0.00 0.00 -1.02 0.00 0.00 39.78 35.24 1ckj n ASN 10 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1ckj n ARG 11 N -1.91 0.83 -5.24 3.52 1.74 -0.87 -5.03 116.66 109.71 1ckj n ARG 11 Ca -0.15 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.63 1ckj n ARG 11 Cb 0.57 -0.89 -0.16 0.00 -1.02 0.00 0.00 32.46 30.96 1ckj n ARG 11 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ckj s TYR 12 N -1.77 2.31 0.03 -1.55 1.51 -0.85 -1.34 117.35 115.69 1ckj s TYR 12 Ca 0.00 -0.57 -0.18 0.00 -1.01 0.00 0.00 57.07 55.31 1ckj s TYR 12 Cb 0.00 -1.50 -0.06 0.00 -0.11 0.00 0.00 41.96 40.29 1ckj s TYR 12 CO 0.00 -0.13 0.52 -0.98 -1.11 0.00 0.00 175.55 173.85 1ckj s ARG 13 N -0.36 4.16 0.37 -0.62 1.70 -0.48 -0.07 118.95 123.65 1ckj s ARG 13 Ca 0.03 0.63 -0.17 0.00 -0.47 0.00 0.00 55.73 55.74 1ckj s ARG 13 Cb -0.12 -3.27 -0.10 0.00 -0.57 0.00 0.00 34.95 30.90 1ckj s ARG 13 CO 0.01 0.57 0.83 -1.17 -1.08 0.00 0.00 175.30 174.46 1ckj s LEU 14 N -0.81 4.01 0.00 -1.89 2.96 -1.01 -1.69 118.68 120.25 1ckj s LEU 14 Ca 0.28 1.45 0.00 0.00 -0.22 0.00 0.00 54.13 55.64 1ckj s LEU 14 Cb -0.18 -4.28 0.00 0.00 0.50 0.00 0.00 46.19 42.23 1ckj s LEU 14 CO 0.17 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.53 1ckj n GLY 15 N -0.50 5.31 3.75 7.98 0.00 0.30 -4.90 105.19 117.13 1ckj n GLY 15 Ca 0.05 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 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 2.55 4.29 -0.34 1.61 3.52 -1.26 -4.32 118.95 124.99 1ckj s ARG 16 Ca 0.00 2.28 -0.29 0.00 -0.13 0.00 0.00 55.73 57.60 1ckj s ARG 16 Cb 0.00 -3.09 -0.01 0.00 -1.56 0.00 0.00 34.95 30.29 1ckj s ARG 16 CO 0.00 -0.35 1.61 0.21 -0.81 0.00 0.00 175.30 175.96 1ckj s LYS 17 N -0.87 3.50 -0.66 5.12 2.20 -1.26 -0.61 119.74 127.17 1ckj s LYS 17 Ca 0.56 1.27 -0.02 0.00 -0.36 0.00 0.00 55.97 57.42 1ckj s LYS 17 Cb -0.41 -4.10 0.38 0.00 -1.51 0.00 0.00 37.83 32.19 1ckj s LYS 17 CO 0.47 -1.65 2.07 0.44 -0.36 0.00 0.00 175.35 176.32 1ckj n ILE 18 N 7.13 3.52 0.00 5.43 -5.35 0.72 -4.94 119.36 125.87 1ckj n ILE 18 Ca 0.20 -3.08 0.00 0.00 -0.27 0.00 0.00 62.75 59.60 1ckj n ILE 18 Cb 0.47 -1.22 0.00 0.00 -1.74 0.00 0.00 39.64 37.15 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 -0.61 0.71 2.87 3.28 0.00 -1.21 -4.82 105.19 105.42 1ckj n GLY 19 Ca 0.57 -2.27 -0.21 0.00 0.00 0.00 0.00 46.02 44.10 1ckj n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ckj s SER 20 N -1.27 1.19 0.92 1.61 0.01 -1.26 -1.08 113.70 113.82 1ckj s SER 20 Ca 0.00 -0.14 -0.10 0.00 1.31 0.00 0.00 55.95 57.02 1ckj s SER 20 Cb 0.00 -0.49 0.17 0.00 0.21 0.00 0.00 66.02 65.91 1ckj s SER 20 CO 0.00 -0.08 1.02 0.61 0.41 0.00 0.00 173.24 175.20 1ckj n GLY 21 N 4.31 -0.90 0.53 3.44 0.00 0.14 -4.89 105.19 107.82 1ckj n GLY 21 Ca -0.20 -1.78 0.36 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.19 0.11 -0.02 1.61 0.02 -1.97 -3.04 113.55 109.06 1ckj h SER 22 Ca -0.33 0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.49 1ckj h SER 22 Cb 0.98 0.02 -0.23 0.00 0.14 0.00 0.00 62.40 63.30 1ckj h SER 22 CO 0.26 -0.01 -0.59 2.22 -1.14 0.00 0.00 176.83 177.58 1ckj n PHE 23 N -4.28 -0.09 -3.69 3.45 -1.74 -1.26 -5.05 117.46 104.79 1ckj n PHE 23 Ca 0.30 -0.66 -0.02 0.00 -0.56 0.00 0.00 57.45 56.51 1ckj n PHE 23 Cb 1.33 0.32 0.01 0.00 1.52 0.00 0.00 39.48 42.66 1ckj n PHE 23 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1ckj n GLY 24 N 0.04 0.90 3.40 4.97 0.00 -1.15 -4.85 105.19 108.50 1ckj n GLY 24 Ca -0.14 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.35 3.53 -0.23 1.61 1.01 -1.22 0.25 116.67 119.27 1ckj s ASP 25 Ca 0.13 -0.40 -0.11 0.00 0.71 0.00 0.00 52.55 52.87 1ckj s ASP 25 Cb -0.02 -0.54 -0.05 0.00 1.01 0.00 0.00 42.92 43.33 1ckj s ASP 25 CO 0.03 0.30 0.19 -0.63 0.21 0.00 0.00 175.17 175.27 1ckj s ILE 26 N -0.75 5.34 0.09 0.77 -1.09 -0.24 -2.30 121.20 123.02 1ckj s ILE 26 Ca 0.12 0.25 0.09 0.00 -2.23 0.00 0.00 60.65 58.87 1ckj s ILE 26 Cb -0.10 -3.53 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 1ckj s ILE 26 CO 0.01 0.34 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.56 1ckj s TYR 27 N 1.04 2.51 0.38 3.97 1.51 0.91 -0.20 117.35 127.46 1ckj s TYR 27 Ca 0.09 -0.28 -0.25 0.00 -1.01 0.00 0.00 57.07 55.62 1ckj s TYR 27 Cb -0.13 -1.38 -0.09 0.00 -0.11 0.00 0.00 41.96 40.25 1ckj s TYR 27 CO 0.04 0.32 1.11 -1.17 -1.11 0.00 0.00 175.55 174.74 1ckj s LEU 28 N -1.83 4.22 0.11 -1.29 1.98 0.22 -0.63 118.68 121.46 1ckj s LEU 28 Ca 0.16 2.21 -0.06 0.00 -2.89 0.00 0.00 54.13 53.55 1ckj s LEU 28 Cb -0.10 -4.03 -0.02 0.00 0.66 0.00 0.00 46.19 42.70 1ckj s LEU 28 CO 0.07 -0.53 0.15 -0.83 -1.89 0.00 0.00 176.35 173.32 1ckj s GLY 29 N -1.27 0.40 -0.08 7.98 0.00 -0.88 0.11 107.32 113.58 1ckj s GLY 29 Ca 0.56 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 44.34 1ckj s GLY 29 CO 0.34 -1.00 -0.03 -1.59 0.00 0.00 0.00 173.10 170.83 1ckj s THR 30 N -3.93 0.57 -0.53 0.90 2.01 -0.68 -1.44 115.64 112.53 1ckj s THR 30 Ca 0.11 -0.02 -0.27 0.00 0.31 0.00 0.00 61.69 61.82 1ckj s THR 30 Cb 0.05 -0.67 -0.01 0.00 0.01 0.00 0.00 72.50 71.88 1ckj s THR 30 CO -0.06 0.28 1.73 -0.62 -0.69 0.00 0.00 174.62 175.26 1ckj s ASP 31 N 1.75 5.64 0.22 3.53 -1.08 -0.38 -1.39 116.67 124.96 1ckj s ASP 31 Ca 0.03 0.54 -0.08 0.00 -0.52 0.00 0.00 52.55 52.52 1ckj s ASP 31 Cb -0.13 -2.53 0.34 0.00 -1.46 0.00 0.00 42.92 39.14 1ckj s ASP 31 CO -0.05 -2.05 1.73 0.16 0.52 0.00 0.00 175.17 175.48 1ckj h ILE 32 N 6.73 0.70 0.74 4.11 -0.00 -1.53 0.90 117.51 129.17 1ckj h ILE 32 Ca -0.28 -0.13 -0.04 0.00 -0.00 0.00 0.00 64.86 64.42 1ckj h ILE 32 Cb 1.15 0.29 0.00 0.00 -0.00 0.00 0.00 36.82 38.26 1ckj h ILE 32 CO 1.17 0.07 -0.39 0.00 -0.00 0.00 0.00 178.15 179.00 1ckj h ALA 33 N 1.48 -1.26 -0.00 0.16 0.00 -1.89 -3.11 119.26 114.64 1ckj h ALA 33 Ca 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ckj h ALA 33 Cb 0.48 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1ckj h ALA 33 CO -0.36 -1.20 -0.06 0.00 0.00 0.00 0.00 179.25 177.63 1ckj n ALA 34 N -2.56 2.68 -0.20 0.00 0.00 -1.16 -4.91 120.51 114.36 1ckj n ALA 34 Ca -0.13 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1ckj n ALA 34 Cb 0.42 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 1.21 0.53 3.77 0.00 0.00 0.31 -4.93 105.19 106.08 1ckj n GLY 35 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1ckj n GLY 35 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ckj s GLU 36 N -0.25 3.55 -0.03 1.61 -1.05 -1.23 -4.67 118.70 116.62 1ckj s GLU 36 Ca 0.00 1.82 -0.26 0.00 -0.15 0.00 0.00 54.97 56.38 1ckj s GLU 36 Cb 0.00 -2.29 -0.04 0.00 -0.44 0.00 0.00 34.13 31.36 1ckj s GLU 36 CO 0.00 -0.74 0.82 -1.83 0.95 0.00 0.00 175.26 174.46 1ckj s GLU 37 N -2.86 4.49 0.40 -4.83 1.03 -1.26 -1.25 118.70 114.43 1ckj s GLU 37 Ca 0.67 1.11 0.03 0.00 0.03 0.00 0.00 54.97 56.81 1ckj s GLU 37 Cb -0.30 -3.45 -0.03 0.00 -0.80 0.00 0.00 34.13 29.56 1ckj s GLU 37 CO 0.35 0.04 0.10 0.14 -1.33 0.00 0.00 175.26 174.56 1ckj s VAL 38 N 0.81 0.80 -0.11 1.83 -7.23 -0.52 -3.89 120.40 112.10 1ckj s VAL 38 Ca 0.43 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.63 1ckj s VAL 38 Cb -0.19 -2.43 -0.00 0.00 0.56 0.00 0.00 36.38 34.32 1ckj s VAL 38 CO 0.22 0.00 -0.22 0.00 -0.31 0.00 0.00 175.10 174.80 1ckj s ALA 39 N -3.19 2.27 -0.16 1.32 0.00 0.47 -2.07 121.76 120.40 1ckj s ALA 39 Ca 0.25 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 1ckj s ALA 39 Cb 0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 1ckj s ALA 39 CO 0.13 0.27 -0.09 0.42 0.00 0.00 0.00 175.76 176.49 1ckj s ILE 40 N 0.37 3.33 -0.13 0.00 1.01 0.20 -0.81 121.20 125.15 1ckj s ILE 40 Ca -0.17 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 59.90 1ckj s ILE 40 Cb -0.17 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 1ckj s ILE 40 CO 0.08 0.49 -0.03 -0.75 0.00 0.00 0.00 174.94 174.73 1ckj s LYS 41 N 0.61 3.46 -0.02 2.79 2.20 -0.02 -0.07 119.74 128.70 1ckj s LYS 41 Ca -0.05 -0.50 0.07 0.00 -0.36 0.00 0.00 55.97 55.13 1ckj s LYS 41 Cb -0.15 -2.86 -0.02 0.00 -1.51 0.00 0.00 37.83 33.29 1ckj s LYS 41 CO 0.03 0.37 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.64 1ckj s LEU 42 N 0.02 2.04 -0.05 5.43 1.02 -0.97 -1.47 118.68 124.70 1ckj s LEU 42 Ca 0.01 -0.42 0.02 0.00 0.02 0.00 0.00 54.13 53.76 1ckj s LEU 42 Cb -0.13 -1.19 0.02 0.00 0.02 0.00 0.00 46.19 44.90 1ckj s LEU 42 CO 0.03 0.28 -0.08 -0.70 0.02 0.00 0.00 176.35 175.90 1ckj s GLU 43 N -0.54 1.11 0.10 1.70 2.12 -0.80 -3.37 118.70 119.01 1ckj s GLU 43 Ca 0.09 -0.23 -0.31 0.00 0.36 0.00 0.00 54.97 54.88 1ckj s GLU 43 Cb -0.09 -1.01 -0.07 0.00 0.26 0.00 0.00 34.13 33.22 1ckj s GLU 43 CO -0.01 -0.01 1.25 0.00 -0.54 0.00 0.00 175.26 175.94 1ckj h VAL 45 N 4.28 0.67 -1.18 0.00 3.04 -1.40 -2.68 116.25 118.98 1ckj h VAL 45 Ca -0.42 -0.07 -0.66 0.00 -1.01 0.00 0.00 66.70 64.53 1ckj h VAL 45 Cb 1.21 0.43 -0.15 0.00 -2.01 0.00 0.00 31.29 30.78 1ckj h VAL 45 CO 0.81 0.04 1.62 0.29 -1.01 0.00 0.00 177.57 179.32 1ckj n LYS 46 N -4.41 3.84 -4.13 4.17 5.02 -1.26 -4.90 118.16 116.48 1ckj n LYS 46 Ca 0.17 -3.12 -0.31 0.00 -2.02 0.00 0.00 58.31 53.02 1ckj n LYS 46 Cb 0.74 -2.45 -0.07 0.00 -0.02 0.00 0.00 35.03 33.23 1ckj n LYS 46 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ckj s THR 47 N -1.74 4.39 -0.66 -0.18 2.01 -1.01 -5.00 115.64 113.46 1ckj s THR 47 Ca 0.55 -0.68 0.25 0.00 0.31 0.00 0.00 61.69 62.12 1ckj s THR 47 Cb 0.26 -3.05 0.24 0.00 0.01 0.00 0.00 72.50 69.96 1ckj s THR 47 CO -0.15 0.24 1.64 0.50 -0.69 0.00 0.00 174.62 176.16 1ckj h LYS 48 N 3.77 0.00 -2.23 4.92 3.64 -1.91 -3.39 116.57 121.37 1ckj h LYS 48 Ca -0.48 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.32 1ckj h LYS 48 Cb 1.17 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 32.60 1ckj h LYS 48 CO 0.62 0.00 -0.96 0.72 -2.27 0.00 0.00 179.45 177.56 1ckj n HIS 49 N -2.36 0.23 -1.80 1.91 8.25 -1.26 -5.10 115.22 115.09 1ckj n HIS 49 Ca 0.05 -3.61 -0.43 0.00 -0.26 0.00 0.00 57.72 53.47 1ckj n HIS 49 Cb 0.45 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 1ckj n HIS 49 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 1ckj s PRO 50 N -0.97 3.64 -0.08 -0.41 0.02 -1.26 -4.85 135.00 131.09 1ckj s PRO 50 Ca 0.34 2.05 0.07 0.00 0.02 0.00 0.00 61.00 63.49 1ckj s PRO 50 Cb 0.11 -4.20 -0.10 0.00 0.02 0.00 0.00 34.50 30.33 1ckj s PRO 50 CO -0.13 -1.51 0.04 1.04 -0.33 0.00 0.00 177.00 176.10 1ckj n GLN 51 N 8.05 2.54 -0.26 5.54 6.02 -1.26 -4.74 117.38 133.27 1ckj n GLN 51 Ca 0.23 -0.01 0.05 0.00 -0.01 0.00 0.00 57.00 57.26 1ckj n GLN 51 Cb 0.44 -1.21 0.15 0.00 1.02 0.00 0.00 30.24 30.64 1ckj n GLN 51 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1ckj h LEU 52 N 0.00 -0.39 -2.09 1.08 5.85 -1.94 0.57 115.31 118.39 1ckj h LEU 52 Ca -0.22 0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1ckj h LEU 52 Cb 1.46 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 42.85 1ckj h LEU 52 CO 0.01 -0.19 -0.08 1.12 -0.34 0.00 0.00 178.44 178.97 1ckj h HIS 53 N 0.09 0.00 0.00 1.25 2.07 -2.00 0.79 115.15 117.35 1ckj h HIS 53 Ca 0.41 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.92 1ckj h HIS 53 Cb 0.71 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.69 1ckj h HIS 53 CO -0.44 0.08 -0.04 0.82 -3.07 0.00 0.00 177.93 175.28 1ckj h ILE 54 N 0.00 1.72 -0.65 6.12 1.08 -0.33 -3.26 117.51 122.18 1ckj h ILE 54 Ca -0.00 -2.15 -0.02 0.00 -0.39 0.00 0.00 64.86 62.30 1ckj h ILE 54 Cb 0.18 3.17 -0.03 0.00 -3.07 0.00 0.00 36.82 37.07 1ckj h ILE 54 CO 0.01 0.56 0.34 -0.08 -0.69 0.00 0.00 178.15 178.29 1ckj h GLU 55 N -0.88 0.92 -0.60 2.37 4.81 0.10 -2.17 114.58 119.13 1ckj h GLU 55 Ca -0.01 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1ckj h GLU 55 Cb 0.94 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 1ckj h GLU 55 CO 0.01 0.71 0.39 0.66 -0.73 0.00 0.00 179.01 180.05 1ckj h SER 56 N 0.89 0.68 -0.48 1.04 4.64 -1.02 -1.88 113.55 117.42 1ckj h SER 56 Ca 0.23 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.50 1ckj h SER 56 Cb 0.07 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 1ckj h SER 56 CO -0.03 0.50 0.18 0.50 -0.87 0.00 0.00 176.83 177.10 1ckj h LYS 57 N 0.81 0.73 -0.20 4.77 3.64 -1.45 -2.55 116.57 122.32 1ckj h LYS 57 Ca 0.22 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1ckj h LYS 57 Cb -0.09 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1ckj h LYS 57 CO -0.05 0.67 0.10 0.82 -2.27 0.00 0.00 179.45 178.72 1ckj h ILE 58 N 0.64 1.13 -0.91 2.00 2.04 -0.87 -1.80 117.51 119.75 1ckj h ILE 58 Ca 0.16 -0.38 0.13 0.00 1.00 0.00 0.00 64.86 65.77 1ckj h ILE 58 Cb 0.22 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 1ckj h ILE 58 CO -0.01 0.13 0.59 1.88 0.00 0.00 0.00 178.15 180.73 1ckj h TYR 59 N 0.20 0.93 -0.59 1.37 0.05 -1.32 -1.01 116.97 116.59 1ckj h TYR 59 Ca 0.07 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.77 1ckj h TYR 59 Cb 0.11 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.54 1ckj h TYR 59 CO -0.03 0.37 -0.03 0.87 -1.05 0.00 0.00 178.16 178.29 1ckj h LYS 60 N 0.81 1.07 -0.78 4.88 1.57 -0.98 -2.30 116.57 120.84 1ckj h LYS 60 Ca 0.45 -0.36 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1ckj h LYS 60 Cb 0.58 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1ckj h LYS 60 CO -0.21 1.06 0.30 0.52 -0.57 0.00 0.00 179.45 180.55 1ckj h MET 61 N 0.96 1.17 0.00 3.15 2.86 -0.40 -2.36 114.93 120.31 1ckj h MET 61 Ca 0.16 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1ckj h MET 61 Cb 0.60 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1ckj h MET 61 CO 0.04 0.96 0.00 -1.33 1.06 0.00 0.00 176.91 177.63 1ckj n MET 62 N -4.29 0.15 -1.63 1.72 2.81 -0.56 -4.89 117.12 110.44 1ckj n MET 62 Ca 0.07 0.36 -0.45 0.00 -1.81 0.00 0.00 57.70 55.87 1ckj n MET 62 Cb 0.19 -1.78 -0.02 0.00 -0.71 0.00 0.00 33.22 30.90 1ckj n MET 62 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1ckj n GLN 63 N -2.06 1.62 0.00 0.03 1.13 -0.89 -2.27 117.38 114.94 1ckj n GLN 63 Ca 0.03 0.57 0.00 0.00 -1.94 0.00 0.00 57.00 55.66 1ckj n GLN 63 Cb 0.23 -2.09 0.00 0.00 0.11 0.00 0.00 30.24 28.49 1ckj n GLN 63 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ckj n GLY 64 N 1.64 3.24 3.76 1.08 0.00 -1.26 -5.06 105.19 108.58 1ckj n GLY 64 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.88 2.04 0.11 -0.02 0.00 -0.96 -4.96 107.32 100.64 1ckj s GLY 65 Ca 0.00 0.53 -0.30 0.00 0.00 0.00 0.00 44.72 44.95 1ckj s GLY 65 CO 0.00 0.89 1.16 0.14 0.00 0.00 0.00 173.10 175.30 1ckj s VAL 66 N -2.44 3.94 -0.28 1.40 1.01 -1.26 -3.61 120.40 119.16 1ckj s VAL 66 Ca 0.67 1.50 0.00 0.00 0.00 0.00 0.00 61.98 64.15 1ckj s VAL 66 Cb -0.21 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1ckj s VAL 66 CO 0.46 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1ckj n GLY 67 N 2.71 0.47 3.45 4.51 0.00 -1.26 -4.92 105.19 110.14 1ckj n GLY 67 Ca 0.06 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.12 3.77 0.68 -0.61 -1.09 -1.24 -2.04 121.20 118.55 1ckj s ILE 68 Ca 0.00 -0.39 -0.15 0.00 -2.23 0.00 0.00 60.65 57.88 1ckj s ILE 68 Cb 0.00 -2.67 0.01 0.00 -1.58 0.00 0.00 42.46 38.22 1ckj s ILE 68 CO 0.00 0.47 1.14 -2.16 -1.23 0.00 0.00 174.94 173.16 1ckj s PRO 69 N 0.68 2.60 -0.15 2.79 0.04 -1.26 -4.92 135.00 134.78 1ckj s PRO 69 Ca -0.02 1.52 -0.13 0.00 0.04 0.00 0.00 61.00 62.40 1ckj s PRO 69 Cb -0.14 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1ckj s PRO 69 CO 0.02 -1.43 0.29 0.99 0.04 0.00 0.00 177.00 176.91 1ckj s THR 70 N -2.20 5.30 0.02 1.26 2.01 -1.26 -4.95 115.64 115.82 1ckj s THR 70 Ca 0.70 0.54 -0.24 0.00 0.31 0.00 0.00 61.69 63.00 1ckj s THR 70 Cb -0.23 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1ckj s THR 70 CO 0.42 0.42 0.72 -0.63 -0.69 0.00 0.00 174.62 174.86 1ckj s ILE 71 N 0.25 4.80 -0.25 1.82 -1.09 -1.26 -0.02 121.20 125.44 1ckj s ILE 71 Ca 0.17 1.53 -0.15 0.00 -2.23 0.00 0.00 60.65 59.96 1ckj s ILE 71 Cb -0.13 -4.07 -0.15 0.00 -1.58 0.00 0.00 42.46 36.53 1ckj s ILE 71 CO 0.04 0.37 -0.16 0.54 -1.23 0.00 0.00 174.94 174.50 1ckj n ARG 72 N 2.86 0.59 -3.62 2.79 5.12 0.68 -4.91 116.66 120.16 1ckj n ARG 72 Ca -0.03 0.35 -0.14 0.00 -1.93 0.00 0.00 57.85 56.10 1ckj n ARG 72 Cb 0.50 -1.58 -0.06 0.00 -1.16 0.00 0.00 32.46 30.17 1ckj n ARG 72 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 1ckj s TRP 73 N -2.47 -0.38 -0.05 -1.55 -0.00 -1.16 -5.01 118.94 108.33 1ckj s TRP 73 Ca -0.35 0.49 0.01 0.00 -0.00 0.00 0.00 56.10 56.25 1ckj s TRP 73 Cb 0.12 0.27 0.02 0.00 -0.00 0.00 0.00 33.47 33.88 1ckj s TRP 73 CO 0.53 -0.57 -0.06 0.00 -0.00 0.00 0.00 176.95 176.86 1ckj s GLY 75 N 0.88 -0.03 -0.29 0.00 0.00 -0.84 -5.00 107.32 102.04 1ckj s GLY 75 Ca -0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 44.72 44.23 1ckj s GLY 75 CO 0.01 -0.48 0.01 0.00 0.00 0.00 0.00 173.10 172.65 1ckj s ALA 76 N -3.86 2.86 0.65 3.20 0.00 -1.26 0.18 121.76 123.53 1ckj s ALA 76 Ca 0.07 -1.63 -0.01 0.00 0.00 0.00 0.00 51.96 50.40 1ckj s ALA 76 Cb 0.02 -1.96 0.11 0.00 0.00 0.00 0.00 23.12 21.28 1ckj s ALA 76 CO -0.07 -1.10 0.72 0.39 0.00 0.00 0.00 175.76 175.70 1ckj n GLU 77 N 4.71 0.06 0.02 0.00 -0.58 0.08 -5.01 120.64 119.92 1ckj n GLU 77 Ca -0.14 -1.93 -0.10 0.00 -0.42 0.00 0.00 57.16 54.57 1ckj n GLU 77 Cb 0.45 -0.49 -0.03 0.00 -0.57 0.00 0.00 31.44 30.79 1ckj n GLU 77 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1ckj h GLY 78 N -0.46 -0.25 0.00 0.62 0.00 -2.02 -3.32 103.07 97.64 1ckj h GLY 78 Ca -0.24 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1ckj h GLY 78 CO 0.25 -0.19 -0.65 1.34 0.00 0.00 0.00 176.54 177.29 1ckj n ASP 79 N -5.35 0.82 -4.43 0.19 2.03 -1.26 -4.98 116.55 103.57 1ckj n ASP 79 Ca -0.03 -0.62 -0.21 0.00 0.52 0.00 0.00 54.79 54.44 1ckj n ASP 79 Cb 0.27 1.08 -0.10 0.00 -0.72 0.00 0.00 41.12 41.64 1ckj n ASP 79 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1ckj s TYR 80 N -2.10 1.95 -0.11 -0.67 2.02 -1.25 -1.08 117.35 116.11 1ckj s TYR 80 Ca 0.03 -0.76 -0.00 0.00 -0.37 0.00 0.00 57.07 55.96 1ckj s TYR 80 Cb 0.08 -1.16 -0.02 0.00 -0.40 0.00 0.00 41.96 40.45 1ckj s TYR 80 CO 0.43 0.21 -0.08 -0.80 -1.57 0.00 0.00 175.55 173.74 1ckj s ASN 81 N -3.45 4.47 -0.04 2.29 0.01 0.12 -0.74 114.94 117.60 1ckj s ASN 81 Ca 0.31 -0.15 0.06 0.00 -0.71 0.00 0.00 52.86 52.37 1ckj s ASN 81 Cb 0.05 -1.43 -0.02 0.00 0.41 0.00 0.00 41.25 40.26 1ckj s ASN 81 CO 0.13 0.25 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.08 1ckj s VAL 82 N -0.17 2.52 -0.21 1.60 1.01 0.13 -1.91 120.40 123.37 1ckj s VAL 82 Ca 0.02 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1ckj s VAL 82 Cb -0.13 -1.94 0.06 0.00 0.00 0.00 0.00 36.38 34.37 1ckj s VAL 82 CO 0.03 0.58 0.03 -0.32 0.00 0.00 0.00 175.10 175.42 1ckj s MET 83 N -0.56 0.74 -0.14 2.72 1.75 -0.54 -1.98 119.30 121.29 1ckj s MET 83 Ca 0.08 -0.52 -0.11 0.00 -1.25 0.00 0.00 55.69 53.89 1ckj s MET 83 Cb -0.11 -2.14 -0.05 0.00 2.84 0.00 0.00 34.83 35.37 1ckj s MET 83 CO 0.01 -0.67 0.22 0.08 -0.65 0.00 0.00 175.02 174.01 1ckj s VAL 84 N 1.80 5.36 0.06 10.11 1.01 0.03 -0.84 120.40 137.93 1ckj s VAL 84 Ca -0.01 0.39 -0.00 0.00 0.00 0.00 0.00 61.98 62.36 1ckj s VAL 84 Cb -0.17 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1ckj s VAL 84 CO -0.09 0.50 -0.04 0.00 0.00 0.00 0.00 175.10 175.47 1ckj s MET 85 N -0.23 0.64 0.38 2.72 0.23 0.01 -0.23 119.30 122.81 1ckj s MET 85 Ca 0.15 -1.19 -0.28 0.00 -1.03 0.00 0.00 55.69 53.34 1ckj s MET 85 Cb -0.13 0.09 -0.11 0.00 -1.53 0.00 0.00 34.83 33.15 1ckj s MET 85 CO 0.04 -0.08 1.49 -0.85 -2.03 0.00 0.00 175.02 173.59 1ckj n GLU 86 N 0.23 2.69 -3.06 3.16 0.28 0.97 -0.39 120.64 124.51 1ckj n GLU 86 Ca -0.15 0.94 -0.38 0.00 -0.16 0.00 0.00 57.16 57.42 1ckj n GLU 86 Cb 0.60 -2.68 -0.06 0.00 1.43 0.00 0.00 31.44 30.73 1ckj n GLU 86 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1ckj s LEU 87 N -2.10 4.45 0.00 -1.84 2.96 -1.25 -4.52 118.68 116.38 1ckj s LEU 87 Ca 0.53 1.50 0.00 0.00 -0.22 0.00 0.00 54.13 55.94 1ckj s LEU 87 Cb -0.47 -3.43 0.00 0.00 0.50 0.00 0.00 46.19 42.79 1ckj s LEU 87 CO 0.64 0.12 0.03 0.18 -1.32 0.00 0.00 176.35 175.99 1ckj n LEU 88 N 1.12 0.00 0.00 -0.68 4.77 -1.26 -4.92 117.00 116.03 1ckj n LEU 88 Ca -0.04 -1.43 0.00 0.00 -0.03 0.00 0.00 56.01 54.50 1ckj n LEU 88 Cb 0.50 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1ckj n LEU 88 CO 0.44 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1ckj n GLY 89 N 2.20 -1.19 3.76 -0.72 0.00 0.16 -4.97 105.19 104.43 1ckj n GLY 89 Ca -0.08 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 1ckj n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ckj s PRO 90 N -0.97 2.57 0.76 1.61 0.04 -1.26 -4.36 135.00 133.39 1ckj s PRO 90 Ca 0.00 1.36 -0.09 0.00 0.04 0.00 0.00 61.00 62.31 1ckj s PRO 90 Cb 0.00 -1.92 0.09 0.00 0.04 0.00 0.00 34.50 32.71 1ckj s PRO 90 CO 0.00 -1.43 1.09 -1.54 0.04 0.00 0.00 177.00 175.16 1ckj s SER 91 N -2.77 4.48 0.00 6.66 1.04 -1.26 -1.50 113.70 120.35 1ckj s SER 91 Ca 0.66 0.44 0.19 0.00 0.48 0.00 0.00 55.95 57.71 1ckj s SER 91 Cb -0.20 -0.95 0.93 0.00 0.10 0.00 0.00 66.02 65.90 1ckj s SER 91 CO 0.46 -1.84 1.57 0.18 0.98 0.00 0.00 173.24 174.58 1ckj n LEU 92 N -3.12 0.00 -0.05 2.42 4.77 -0.39 -2.09 117.00 118.54 1ckj n LEU 92 Ca 0.10 0.29 -0.22 0.00 -0.03 0.00 0.00 56.01 56.15 1ckj n LEU 92 Cb 0.60 -0.29 -0.13 0.00 -2.33 0.00 0.00 43.42 41.28 1ckj n LEU 92 CO 0.52 -0.11 -0.58 -0.08 -1.33 0.00 0.00 177.39 175.80 1ckj h GLU 93 N 0.00 0.13 -0.68 3.23 4.57 -1.85 -2.92 114.58 117.06 1ckj h GLU 93 Ca 0.00 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 57.95 1ckj h GLU 93 Cb 0.18 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 1ckj h GLU 93 CO 0.00 1.11 0.40 -0.44 -1.18 0.00 0.00 179.01 178.90 1ckj h ASP 94 N -0.52 0.82 0.62 1.04 3.32 -1.83 0.54 116.42 120.40 1ckj h ASP 94 Ca -0.36 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 56.46 1ckj h ASP 94 Cb 1.62 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.95 1ckj h ASP 94 CO -0.06 0.64 -0.83 -0.07 -1.72 0.00 0.00 179.24 177.20 1ckj h LEU 95 N 0.94 0.19 0.38 1.55 3.38 -1.58 -1.07 115.31 119.10 1ckj h LEU 95 Ca 0.24 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1ckj h LEU 95 Cb -0.02 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1ckj h LEU 95 CO -0.04 0.94 -0.18 0.15 0.09 0.00 0.00 178.44 179.39 1ckj h PHE 96 N 0.09 -0.47 -0.98 1.13 3.57 -1.16 -0.40 116.94 118.72 1ckj h PHE 96 Ca -0.03 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1ckj h PHE 96 Cb 1.44 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 40.29 1ckj h PHE 96 CO 0.02 -0.17 0.65 -0.91 -2.23 0.00 0.00 178.31 175.67 1ckj h ASN 97 N -0.74 1.11 -0.99 0.41 2.35 -0.98 0.10 115.58 116.85 1ckj h ASN 97 Ca -0.05 -0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1ckj h ASN 97 Cb 0.51 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 1ckj h ASN 97 CO 0.08 0.80 0.65 0.15 -1.65 0.00 0.00 177.43 177.47 1ckj h PHE 98 N 1.31 1.22 -0.59 1.19 3.57 -1.07 -2.29 116.94 120.29 1ckj h PHE 98 Ca 0.36 0.03 -0.35 0.00 3.53 0.00 0.00 57.97 61.55 1ckj h PHE 98 Cb -0.13 -0.41 -0.14 0.00 2.79 0.00 0.00 35.95 38.06 1ckj h PHE 98 CO -0.00 0.73 0.34 0.00 -2.23 0.00 0.00 178.31 177.15 1ckj n SER 100 N 0.68 -2.23 -3.53 0.00 7.64 -0.86 -1.20 113.62 114.12 1ckj n SER 100 Ca 0.34 0.32 -0.21 0.00 1.01 0.00 0.00 58.87 60.33 1ckj n SER 100 Cb 0.59 -2.03 0.08 0.00 -1.01 0.00 0.00 64.21 61.84 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 -2.42 -7.12 -3.58 1.43 1.74 0.20 -5.00 116.66 101.91 1ckj n ARG 101 Ca -0.07 0.82 -0.14 0.00 -0.77 0.00 0.00 57.85 57.70 1ckj n ARG 101 Cb 0.49 -5.84 -0.12 0.00 -1.02 0.00 0.00 32.46 25.97 1ckj n ARG 101 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1ckj s LYS 102 N -5.85 0.19 -0.14 5.56 0.00 -0.34 -4.64 119.74 114.52 1ckj s LYS 102 Ca 0.28 0.60 -0.03 0.00 0.00 0.00 0.00 55.97 56.83 1ckj s LYS 102 Cb -0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 37.83 37.31 1ckj s LYS 102 CO 0.74 -0.42 -0.06 -0.06 0.00 0.00 0.00 175.35 175.54 1ckj s PHE 103 N 2.42 2.97 0.48 1.78 0.08 -1.24 -4.90 117.98 119.58 1ckj s PHE 103 Ca 0.04 -0.35 -0.20 0.00 0.12 0.00 0.00 56.93 56.54 1ckj s PHE 103 Cb -0.13 -1.91 -0.09 0.00 -0.57 0.00 0.00 43.02 40.31 1ckj s PHE 103 CO -0.11 -0.04 1.01 -1.54 -0.10 0.00 0.00 175.22 174.44 1ckj s SER 104 N 0.26 6.49 0.28 1.36 1.04 -1.26 -4.72 113.70 117.14 1ckj s SER 104 Ca -0.04 1.85 -0.05 0.00 0.48 0.00 0.00 55.95 58.18 1ckj s SER 104 Cb -0.14 -2.55 0.53 0.00 0.10 0.00 0.00 66.02 63.96 1ckj s SER 104 CO 0.03 -0.68 1.50 -0.11 0.98 0.00 0.00 173.24 174.96 1ckj n LEU 105 N -0.94 -0.27 -0.03 2.42 7.94 -1.26 -0.96 117.00 123.89 1ckj n LEU 105 Ca 0.09 1.64 -0.10 0.00 -1.11 0.00 0.00 56.01 56.52 1ckj n LEU 105 Cb 0.53 -0.53 0.04 0.00 0.53 0.00 0.00 43.42 43.99 1ckj n LEU 105 CO 0.39 -1.60 0.51 0.07 -1.11 0.00 0.00 177.39 175.65 1ckj h LYS 106 N 0.00 0.67 -0.54 1.96 2.10 -1.98 0.18 116.57 118.97 1ckj h LYS 106 Ca 0.50 -0.40 -0.02 0.00 -2.00 0.00 0.00 60.65 58.73 1ckj h LYS 106 Cb 0.86 0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 32.19 1ckj h LYS 106 CO -0.96 1.01 0.27 1.15 -2.00 0.00 0.00 179.45 178.92 1ckj h THR 107 N 0.53 1.20 -0.41 0.07 2.02 -1.42 0.34 112.91 115.24 1ckj h THR 107 Ca 0.02 -0.54 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 1ckj h THR 107 Cb 1.05 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1ckj h THR 107 CO 0.10 0.22 0.01 0.58 0.37 0.00 0.00 175.52 176.80 1ckj h VAL 108 N 0.72 1.22 -0.06 3.16 2.07 -1.09 -1.86 116.25 120.42 1ckj h VAL 108 Ca 0.19 -0.86 -0.23 0.00 0.82 0.00 0.00 66.70 66.62 1ckj h VAL 108 Cb 0.10 0.89 0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1ckj h VAL 108 CO -0.03 0.30 -0.85 -0.07 0.02 0.00 0.00 177.57 176.95 1ckj h LEU 109 N 0.61 0.84 -1.35 2.57 3.38 -0.32 -1.61 115.31 119.44 1ckj h LEU 109 Ca 0.13 -0.70 -0.03 0.00 0.09 0.00 0.00 57.88 57.37 1ckj h LEU 109 Cb 0.36 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1ckj h LEU 109 CO 0.01 1.42 0.10 0.25 0.09 0.00 0.00 178.44 180.32 1ckj h LEU 110 N 0.34 0.50 0.16 1.67 5.85 -0.09 -2.58 115.31 121.15 1ckj h LEU 110 Ca -0.09 -0.06 -0.30 0.00 0.84 0.00 0.00 57.88 58.27 1ckj h LEU 110 Cb 1.50 -0.13 0.03 0.00 0.37 0.00 0.00 40.66 42.44 1ckj h LEU 110 CO 0.17 0.49 -1.26 -0.07 -0.34 0.00 0.00 178.44 177.43 1ckj h LEU 111 N 0.54 0.83 -1.17 2.25 3.38 -1.37 -3.30 115.31 116.47 1ckj h LEU 111 Ca 0.13 -0.86 0.15 0.00 0.09 0.00 0.00 57.88 57.38 1ckj h LEU 111 Cb 0.19 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.59 1ckj h LEU 111 CO -0.01 1.61 0.60 0.00 0.09 0.00 0.00 178.44 180.74 1ckj h ALA 112 N 0.22 1.74 -0.10 1.53 0.00 -0.97 0.92 119.26 122.61 1ckj h ALA 112 Ca -0.20 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ckj h ALA 112 Cb 1.95 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 1ckj h ALA 112 CO 0.24 -0.01 0.01 0.22 0.00 0.00 0.00 179.25 179.71 1ckj h ASP 113 N 0.77 0.17 -0.45 0.00 3.58 -1.56 -1.89 116.42 117.04 1ckj h ASP 113 Ca 0.49 -0.28 -0.11 0.00 0.42 0.00 0.00 57.03 57.55 1ckj h ASP 113 Cb 0.72 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 1ckj h ASP 113 CO -0.25 0.40 -0.16 1.56 -2.88 0.00 0.00 179.24 177.91 1ckj h GLN 114 N -0.08 0.91 -0.70 0.28 4.20 -1.44 -2.49 115.11 115.78 1ckj h GLN 114 Ca 0.03 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.37 1ckj h GLN 114 Cb 0.31 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1ckj h GLN 114 CO 0.00 1.02 0.42 0.52 -0.67 0.00 0.00 178.83 180.13 1ckj h MET 115 N 0.74 0.94 0.00 1.46 2.86 -0.86 -1.03 114.93 119.05 1ckj h MET 115 Ca 0.11 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 1ckj h MET 115 Cb 0.72 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1ckj h MET 115 CO 0.05 0.66 -0.27 0.82 1.06 0.00 0.00 176.91 179.23 1ckj h ILE 116 N 0.96 0.61 -0.09 -1.22 2.04 -1.17 -2.89 117.51 115.75 1ckj h ILE 116 Ca 0.25 -1.33 -0.07 0.00 1.00 0.00 0.00 64.86 64.71 1ckj h ILE 116 Cb -0.04 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1ckj h ILE 116 CO -0.05 0.27 -0.23 0.28 0.00 0.00 0.00 178.15 178.42 1ckj h SER 117 N 0.00 0.36 0.23 1.72 0.02 -0.76 -2.53 113.55 112.60 1ckj h SER 117 Ca -0.00 -0.58 -0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1ckj h SER 117 Cb 0.87 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1ckj h SER 117 CO 0.04 0.88 -0.19 0.03 -1.14 0.00 0.00 176.83 176.45 1ckj h ARG 118 N -0.14 -0.41 -0.80 3.45 2.47 -1.26 0.15 114.38 117.84 1ckj h ARG 118 Ca -0.00 0.03 0.07 0.00 -1.26 0.00 0.00 59.98 58.82 1ckj h ARG 118 Cb 0.83 0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 29.18 1ckj h ARG 118 CO 0.05 -0.28 0.47 0.82 0.56 0.00 0.00 179.97 181.60 1ckj h ILE 119 N -0.43 0.99 -0.55 2.04 2.04 -1.60 0.12 117.51 120.11 1ckj h ILE 119 Ca -0.01 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.61 1ckj h ILE 119 Cb 0.39 0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.49 1ckj h ILE 119 CO -0.02 0.15 0.29 -0.08 0.00 0.00 0.00 178.15 178.50 1ckj h GLU 120 N 0.85 0.55 0.37 2.37 4.81 -0.94 -1.79 114.58 120.79 1ckj h GLU 120 Ca 0.36 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1ckj h GLU 120 Cb 0.23 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1ckj h GLU 120 CO -0.20 0.36 -0.27 -0.92 -0.73 0.00 0.00 179.01 177.26 1ckj h TYR 121 N 0.56 -0.71 -0.81 0.92 3.20 0.11 -2.06 116.97 118.18 1ckj h TYR 121 Ca 0.24 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.25 1ckj h TYR 121 Cb 0.13 0.26 -0.09 0.00 1.54 0.00 0.00 36.73 38.57 1ckj h TYR 121 CO -0.09 -0.40 0.40 0.82 -1.64 0.00 0.00 178.16 177.24 1ckj h ILE 122 N -0.63 0.73 -0.25 1.81 2.04 -0.86 0.80 117.51 121.15 1ckj h ILE 122 Ca -0.03 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 1ckj h ILE 122 Cb 0.54 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1ckj h ILE 122 CO 0.01 0.11 -0.00 0.45 0.00 0.00 0.00 178.15 178.71 1ckj h HIS 123 N 0.59 0.38 0.00 1.37 3.86 -1.03 0.74 115.15 121.06 1ckj h HIS 123 Ca 0.44 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 1ckj h HIS 123 Cb 0.61 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1ckj h HIS 123 CO -0.11 0.39 0.00 -1.13 0.86 0.00 0.00 177.93 177.94 1ckj n SER 124 N -4.33 0.29 -1.11 2.45 3.41 0.26 -1.37 113.62 113.22 1ckj n SER 124 Ca 0.01 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 1ckj n SER 124 Cb 0.21 -0.64 0.21 0.00 -0.26 0.00 0.00 64.21 63.73 1ckj n SER 124 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ckj n LYS 125 N -1.83 2.45 -2.31 4.33 4.76 0.24 -4.98 118.16 120.83 1ckj n LYS 125 Ca 0.02 -2.25 -0.06 0.00 -2.87 0.00 0.00 58.31 53.16 1ckj n LYS 125 Cb 0.17 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 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 1.42 -2.61 -4.14 4.39 3.02 -0.47 -5.04 115.26 111.84 1ckj n ASN 126 Ca 0.19 -0.05 -0.13 0.00 -0.03 0.00 0.00 54.58 54.56 1ckj n ASN 126 Cb 0.59 -1.72 -0.11 0.00 -0.61 0.00 0.00 39.78 37.93 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 -2.52 0.87 -0.05 3.10 0.08 -1.17 -2.13 117.98 116.16 1ckj s PHE 127 Ca 0.05 -0.70 0.05 0.00 0.12 0.00 0.00 56.93 56.45 1ckj s PHE 127 Cb -0.02 -0.50 -0.00 0.00 -0.57 0.00 0.00 43.02 41.93 1ckj s PHE 127 CO 0.06 -0.08 -0.20 0.96 -0.10 0.00 0.00 175.22 175.86 1ckj s ILE 128 N -2.51 1.64 0.10 0.64 -4.36 0.50 -3.61 121.20 113.61 1ckj s ILE 128 Ca 0.03 -0.83 -0.18 0.00 -0.26 0.00 0.00 60.65 59.41 1ckj s ILE 128 Cb -0.02 -1.41 -0.05 0.00 1.25 0.00 0.00 42.46 42.23 1ckj s ILE 128 CO -0.02 0.47 1.60 -0.74 0.24 0.00 0.00 174.94 176.49 1ckj h HIS 129 N 6.27 0.50 -0.40 1.37 -0.00 -1.89 -1.36 115.15 119.65 1ckj h HIS 129 Ca -0.31 -0.06 -0.17 0.00 -0.00 0.00 0.00 60.37 59.83 1ckj h HIS 129 Cb 1.18 -0.14 -0.07 0.00 -0.00 0.00 0.00 27.41 28.38 1ckj h HIS 129 CO 0.44 0.55 -0.15 0.54 -0.00 0.00 0.00 177.93 179.30 1ckj n ARG 130 N -4.66 -1.56 -2.70 5.26 1.74 -1.26 -3.46 116.66 110.02 1ckj n ARG 130 Ca -0.02 0.76 -0.06 0.00 -0.77 0.00 0.00 57.85 57.76 1ckj n ARG 130 Cb 0.19 -5.07 0.11 0.00 -1.02 0.00 0.00 32.46 26.67 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 -0.94 -1.21 -4.64 0.55 2.03 -1.26 -4.34 116.55 106.73 1ckj n ASP 131 Ca -0.08 -2.40 -0.43 0.00 0.52 0.00 0.00 54.79 52.40 1ckj n ASP 131 Cb 0.52 0.67 -0.02 0.00 -0.72 0.00 0.00 41.12 41.56 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 -0.43 3.94 0.19 5.18 1.01 -1.26 -4.85 120.40 124.19 1ckj s VAL 132 Ca 0.19 1.10 -0.18 0.00 0.00 0.00 0.00 61.98 63.09 1ckj s VAL 132 Cb 0.42 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.97 1ckj s VAL 132 CO -0.08 -0.27 0.53 -1.59 0.00 0.00 0.00 175.10 173.70 1ckj s LYS 133 N 4.15 1.37 0.60 2.72 -2.85 -1.26 -4.78 119.74 119.70 1ckj s LYS 133 Ca 0.63 -0.82 0.32 0.00 -1.00 0.00 0.00 55.97 55.10 1ckj s LYS 133 Cb -0.23 0.53 1.88 0.00 -2.06 0.00 0.00 37.83 37.94 1ckj s LYS 133 CO 0.24 -0.59 2.23 -1.00 0.10 0.00 0.00 175.35 176.33 1ckj h PRO 134 N 2.17 0.00 0.00 1.78 0.13 -1.94 -1.80 132.00 132.35 1ckj h PRO 134 Ca -0.29 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.75 1ckj h PRO 134 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1ckj h PRO 134 CO 0.37 0.00 -0.41 -0.44 -0.23 0.00 0.00 178.00 177.29 1ckj h ASP 135 N 0.00 0.00 -0.33 1.44 5.19 -1.95 -2.76 116.42 118.01 1ckj h ASP 135 Ca 0.02 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.37 1ckj h ASP 135 Cb 0.14 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.61 1ckj h ASP 135 CO -0.00 0.41 0.08 0.59 -3.12 0.00 0.00 179.24 177.20 1ckj n ASN 136 N -3.81 3.33 -3.83 6.45 3.02 -0.67 -4.75 115.26 114.99 1ckj n ASN 136 Ca -0.01 -2.53 -0.23 0.00 -0.03 0.00 0.00 54.58 51.77 1ckj n ASN 136 Cb 0.47 -0.61 -0.17 0.00 -0.61 0.00 0.00 39.78 38.86 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 -1.80 0.85 0.01 3.10 0.08 -1.12 -1.64 117.98 117.48 1ckj s PHE 137 Ca 0.27 -0.29 0.05 0.00 0.12 0.00 0.00 56.93 57.08 1ckj s PHE 137 Cb 0.21 -0.86 -0.02 0.00 -0.57 0.00 0.00 43.02 41.79 1ckj s PHE 137 CO 0.07 -0.33 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.19 1ckj s LEU 138 N 1.66 2.09 0.47 -0.37 1.02 -0.65 -1.27 118.68 121.63 1ckj s LEU 138 Ca 0.01 -0.36 -0.17 0.00 0.02 0.00 0.00 54.13 53.62 1ckj s LEU 138 Cb -0.13 -0.75 -0.09 0.00 0.02 0.00 0.00 46.19 45.24 1ckj s LEU 138 CO -0.04 0.14 0.94 -0.04 0.02 0.00 0.00 176.35 177.36 1ckj s MET 139 N -0.71 4.02 0.00 1.70 -1.94 -0.56 -0.34 119.30 121.47 1ckj s MET 139 Ca 0.05 0.93 0.00 0.00 -1.71 0.00 0.00 55.69 54.96 1ckj s MET 139 Cb -0.07 -2.20 0.00 0.00 2.01 0.00 0.00 34.83 34.58 1ckj s MET 139 CO 0.00 -0.15 0.00 0.41 -0.01 0.00 0.00 175.02 175.28 1ckj n GLY 140 N -1.20 -1.76 3.31 -0.03 0.00 -0.88 0.40 105.19 105.03 1ckj n GLY 140 Ca 0.06 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 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 2.07 0.00 0.99 1.43 -1.26 -3.66 118.68 118.25 1ckj s LEU 143 Ca 0.00 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1ckj s LEU 143 Cb 0.00 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.87 1ckj s LEU 143 CO 0.00 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.50 1ckj n GLY 144 N 2.48 3.17 0.16 -3.19 0.00 -1.26 -2.48 105.19 104.08 1ckj n GLY 144 Ca -0.16 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 45.83 1ckj n GLY 144 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ckj h LYS 145 N 0.00 0.00 -0.07 1.61 2.10 -2.06 -2.40 116.57 115.75 1ckj h LYS 145 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ckj h LYS 145 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1ckj h LYS 145 CO 0.00 0.52 0.00 1.63 -2.00 0.00 0.00 179.45 179.60 1ckj n LYS 146 N -3.69 1.32 0.00 0.07 5.02 -1.03 -4.07 118.16 115.78 1ckj n LYS 146 Ca -0.01 -0.48 0.02 0.00 -2.02 0.00 0.00 58.31 55.82 1ckj n LYS 146 Cb 0.57 -1.33 0.12 0.00 -0.02 0.00 0.00 35.03 34.37 1ckj n LYS 146 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ckj n GLY 147 N 0.93 -0.24 0.45 0.72 0.00 -0.90 -0.94 105.19 105.21 1ckj n GLY 147 Ca 0.14 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.76 2.63 -4.42 1.61 3.02 -1.26 -4.48 115.26 111.60 1ckj n ASN 148 Ca 0.03 -1.98 -0.34 0.00 -0.03 0.00 0.00 54.58 52.26 1ckj n ASN 148 Cb 0.01 -0.16 -0.13 0.00 -0.61 0.00 0.00 39.78 38.89 1ckj n ASN 148 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1ckj s LEU 149 N -0.99 3.05 -0.05 3.41 2.96 -0.12 -5.01 118.68 121.94 1ckj s LEU 149 Ca 0.16 -0.25 -0.27 0.00 -0.22 0.00 0.00 54.13 53.55 1ckj s LEU 149 Cb 0.08 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1ckj s LEU 149 CO 0.11 0.10 0.87 -0.69 -1.32 0.00 0.00 176.35 175.42 1ckj s VAL 150 N 0.76 4.93 0.16 1.68 1.01 -1.26 -2.06 120.40 125.61 1ckj s VAL 150 Ca -0.02 1.80 0.07 0.00 0.00 0.00 0.00 61.98 63.83 1ckj s VAL 150 Cb -0.15 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 1ckj s VAL 150 CO 0.02 0.17 -0.01 -0.31 0.00 0.00 0.00 175.10 174.97 1ckj s TYR 151 N 1.13 2.86 -0.03 5.22 1.51 0.54 -4.63 117.35 123.96 1ckj s TYR 151 Ca 0.45 -0.12 0.04 0.00 -1.01 0.00 0.00 57.07 56.43 1ckj s TYR 151 Cb -0.19 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.22 1ckj s TYR 151 CO 0.22 0.50 -0.13 -1.50 -1.11 0.00 0.00 175.55 173.53 1ckj s ILE 152 N -1.62 3.13 0.33 2.71 2.07 -0.87 -1.63 121.20 125.32 1ckj s ILE 152 Ca 0.27 -0.79 0.04 0.00 -1.41 0.00 0.00 60.65 58.76 1ckj s ILE 152 Cb -0.10 -2.26 -0.03 0.00 0.13 0.00 0.00 42.46 40.20 1ckj s ILE 152 CO 0.18 0.53 0.17 0.27 -1.91 0.00 0.00 174.94 174.18 1ckj s ILE 153 N -0.80 0.34 -0.27 2.00 -4.36 -0.65 -4.41 121.20 113.05 1ckj s ILE 153 Ca 0.13 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.52 1ckj s ILE 153 Cb -0.11 -2.48 0.00 0.00 1.25 0.00 0.00 42.46 41.12 1ckj s ILE 153 CO 0.02 0.00 0.01 -0.67 0.24 0.00 0.00 174.94 174.54 1ckj n ASP 154 N -1.08 -7.22 -1.78 4.36 -0.08 -1.26 -4.87 116.55 104.62 1ckj n ASP 154 Ca 0.01 1.24 0.05 0.00 -1.51 0.00 0.00 54.79 54.58 1ckj n ASP 154 Cb 0.65 -4.76 0.37 0.00 2.34 0.00 0.00 41.12 39.72 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 0.60 1.99 -0.08 -0.67 3.72 -1.26 -4.54 117.46 117.22 1ckj n PHE 155 Ca 0.00 -0.83 0.01 0.00 -0.05 0.00 0.00 57.45 56.59 1ckj n PHE 155 Cb 0.00 -0.52 0.32 0.00 -0.94 0.00 0.00 39.48 38.34 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 3.49 0.76 -1.87 1.37 0.00 -1.92 -1.75 103.07 103.15 1ckj h GLY 156 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1ckj h GLY 156 CO 0.50 0.32 0.00 1.04 0.00 0.00 0.00 176.54 178.39 1ckj n LEU 157 N -4.40 2.94 -4.75 3.11 4.77 -1.26 -4.97 117.00 112.44 1ckj n LEU 157 Ca 0.04 -1.19 -0.41 0.00 -0.03 0.00 0.00 56.01 54.42 1ckj n LEU 157 Cb 0.11 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1ckj n LEU 157 CO 0.37 0.60 1.16 0.00 -1.33 0.00 0.00 177.39 178.19 1ckj s ALA 158 N -1.68 3.67 0.01 -1.18 0.00 -0.66 -4.60 121.76 117.31 1ckj s ALA 158 Ca 0.35 1.45 0.05 0.00 0.00 0.00 0.00 51.96 53.82 1ckj s ALA 158 Cb 0.21 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1ckj s ALA 158 CO 0.30 -0.87 -0.17 0.21 0.00 0.00 0.00 175.76 175.24 1ckj s LYS 159 N -0.66 1.24 -0.04 0.00 2.20 -0.51 -4.94 119.74 117.03 1ckj s LYS 159 Ca 0.60 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 55.21 1ckj s LYS 159 Cb -0.45 -1.25 -0.03 0.00 -1.51 0.00 0.00 37.83 34.60 1ckj s LYS 159 CO 0.48 0.33 1.06 0.21 -0.36 0.00 0.00 175.35 177.06 1ckj s LYS 160 N -0.72 4.45 0.00 4.03 2.20 -1.26 -0.37 119.74 128.07 1ckj s LYS 160 Ca 0.05 1.50 0.21 0.00 -0.36 0.00 0.00 55.97 57.37 1ckj s LYS 160 Cb -0.07 -3.50 0.26 0.00 -1.51 0.00 0.00 37.83 33.01 1ckj s LYS 160 CO 0.00 -0.25 1.24 2.48 -0.36 0.00 0.00 175.35 178.46 1ckj n TYR 161 N 4.57 0.19 -3.53 4.03 4.11 -0.90 -4.93 117.16 120.70 1ckj n TYR 161 Ca 0.08 -0.11 -0.15 0.00 -0.00 0.00 0.00 57.90 57.73 1ckj n TYR 161 Cb 0.49 -0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.77 1ckj n TYR 161 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.86 175.88 1ckj s ARG 162 N -1.61 0.93 0.28 -3.48 1.70 -1.26 -1.48 118.95 114.03 1ckj s ARG 162 Ca 0.29 0.14 -0.30 0.00 -0.47 0.00 0.00 55.73 55.38 1ckj s ARG 162 Cb 0.19 0.44 -0.12 0.00 -0.57 0.00 0.00 34.95 34.88 1ckj s ARG 162 CO 0.27 -0.31 1.52 -3.47 -1.08 0.00 0.00 175.30 172.23 1ckj n ASP 163 N 0.69 3.44 0.30 -2.89 2.03 -0.94 -4.86 116.55 114.32 1ckj n ASP 163 Ca -0.16 1.15 0.19 0.00 0.52 0.00 0.00 54.79 56.49 1ckj n ASP 163 Cb 0.58 -1.53 1.02 0.00 -0.72 0.00 0.00 41.12 40.47 1ckj n ASP 163 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ckj h ALA 164 N 4.46 1.34 0.00 -1.67 0.00 -1.96 -1.70 119.26 119.73 1ckj h ALA 164 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ckj h ALA 164 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ckj h ALA 164 CO 0.77 -0.08 -0.33 -2.13 0.00 0.00 0.00 179.25 177.48 1ckj n ARG 165 N -3.44 0.18 0.26 0.00 0.63 -1.26 -4.75 116.66 108.27 1ckj n ARG 165 Ca -0.02 0.07 0.14 0.00 -0.92 0.00 0.00 57.85 57.12 1ckj n ARG 165 Cb 0.15 -0.73 0.67 0.00 0.45 0.00 0.00 32.46 33.00 1ckj n ARG 165 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1ckj h THR 166 N -0.33 0.36 -1.62 5.15 1.35 -1.97 -3.46 112.91 112.38 1ckj h THR 166 Ca 0.00 -0.68 -0.39 0.00 -0.55 0.00 0.00 66.41 64.79 1ckj h THR 166 Cb 0.33 1.50 -0.10 0.00 -1.73 0.00 0.00 68.15 68.15 1ckj h THR 166 CO 0.00 0.11 -0.41 1.41 -0.25 0.00 0.00 175.52 176.38 1ckj n HIS 167 N -3.36 -0.35 -2.41 4.73 8.25 -0.64 -4.93 115.22 116.51 1ckj n HIS 167 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 1ckj n HIS 167 Cb 0.31 -3.44 -0.02 0.00 1.12 0.00 0.00 29.99 27.95 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 -4.14 3.88 0.56 -0.41 0.74 -1.26 -4.66 119.66 114.36 1ckj s GLN 168 Ca 0.00 1.21 -0.21 0.00 0.05 0.00 0.00 55.36 56.41 1ckj s GLN 168 Cb 0.00 -3.90 -0.04 0.00 1.10 0.00 0.00 33.01 30.17 1ckj s GLN 168 CO 0.00 -1.17 1.32 -1.58 -0.55 0.00 0.00 175.29 173.31 1ckj s HIS 169 N 4.49 2.30 0.62 1.67 5.65 -1.26 -2.21 115.29 126.55 1ckj s HIS 169 Ca 0.57 1.42 -0.19 0.00 0.25 0.00 0.00 55.06 57.11 1ckj s HIS 169 Cb -0.16 -3.72 -0.02 0.00 -1.18 0.00 0.00 32.58 27.49 1ckj s HIS 169 CO 0.24 -2.74 1.32 0.96 -0.65 0.00 0.00 174.74 173.87 1ckj s ILE 170 N -1.36 2.03 0.75 0.89 -4.36 -0.55 -4.94 121.20 113.66 1ckj s ILE 170 Ca 0.74 0.02 -0.15 0.00 -0.26 0.00 0.00 60.65 61.00 1ckj s ILE 170 Cb -0.38 -3.01 0.05 0.00 1.25 0.00 0.00 42.46 40.37 1ckj s ILE 170 CO 0.44 -0.00 1.22 -2.84 0.24 0.00 0.00 174.94 174.00 1ckj s PRO 171 N -3.23 2.01 -0.07 0.37 0.02 -1.26 -4.98 135.00 127.86 1ckj s PRO 171 Ca 0.79 1.82 -0.28 0.00 0.02 0.00 0.00 61.00 63.35 1ckj s PRO 171 Cb -0.39 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.30 1ckj s PRO 171 CO 0.42 -1.95 0.91 -0.47 -0.33 0.00 0.00 177.00 175.58 1ckj s TYR 172 N -1.93 3.56 0.06 6.54 6.14 -1.26 -5.02 117.35 125.44 1ckj s TYR 172 Ca 0.75 1.50 0.01 0.00 0.64 0.00 0.00 57.07 59.98 1ckj s TYR 172 Cb -0.31 -3.06 -0.03 0.00 0.42 0.00 0.00 41.96 38.98 1ckj s TYR 172 CO 0.46 -0.10 -0.05 1.03 0.64 0.00 0.00 175.55 177.54 1ckj s ARG 173 N 1.47 0.62 0.29 4.97 1.81 -1.26 -5.05 118.95 121.79 1ckj s ARG 173 Ca 0.46 -1.06 0.04 0.00 -1.72 0.00 0.00 55.73 53.45 1ckj s ARG 173 Cb -0.19 -0.06 -0.01 0.00 -0.45 0.00 0.00 34.95 34.24 1ckj s ARG 173 CO 0.20 -0.03 0.30 -0.85 -0.68 0.00 0.00 175.30 174.24 1ckj n GLU 174 N 0.60 0.44 -1.00 3.54 0.28 -1.26 -0.48 120.64 122.75 1ckj n GLU 174 Ca -0.17 -2.67 -0.00 0.00 -0.16 0.00 0.00 57.16 54.16 1ckj n GLU 174 Cb 0.59 2.31 -0.00 0.00 1.43 0.00 0.00 31.44 35.77 1ckj n GLU 174 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1ckj n ASN 175 N -1.82 -3.24 -4.04 -1.84 4.05 0.19 -4.91 115.26 103.65 1ckj n ASN 175 Ca 0.04 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.78 1ckj n ASN 175 Cb 0.51 -0.75 0.22 0.00 1.23 0.00 0.00 39.78 40.98 1ckj n ASN 175 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1ckj s LYS 176 N -0.31 -0.53 0.15 1.20 -0.14 0.14 -5.03 119.74 115.23 1ckj s LYS 176 Ca 0.00 -0.05 0.05 0.00 -1.36 0.00 0.00 55.97 54.60 1ckj s LYS 176 Cb 0.00 -1.68 -0.04 0.00 -1.68 0.00 0.00 37.83 34.44 1ckj s LYS 176 CO 0.00 -3.25 0.12 -0.80 -0.76 0.00 0.00 175.35 170.66 1ckj s ASN 177 N -4.06 5.47 0.17 2.83 0.02 -1.26 -4.54 114.94 113.57 1ckj s ASN 177 Ca 0.70 -0.13 -0.32 0.00 -1.02 0.00 0.00 52.86 52.10 1ckj s ASN 177 Cb -0.10 -1.42 -0.11 0.00 0.02 0.00 0.00 41.25 39.65 1ckj s ASN 177 CO 0.55 0.08 1.66 -0.22 0.02 0.00 0.00 177.10 179.19 1ckj s LEU 178 N -2.99 4.37 -0.28 0.60 0.20 -1.26 -4.97 118.68 114.35 1ckj s LEU 178 Ca 0.30 2.71 0.02 0.00 0.69 0.00 0.00 54.13 57.85 1ckj s LEU 178 Cb -0.10 -3.59 0.08 0.00 -0.43 0.00 0.00 46.19 42.14 1ckj s LEU 178 CO 0.23 -0.90 -0.01 0.28 -0.29 0.00 0.00 176.35 175.66 1ckj s THR 179 N 1.41 1.69 -0.29 3.68 -1.32 -1.26 -5.06 115.64 114.48 1ckj s THR 179 Ca 0.73 -1.58 0.00 0.00 -1.21 0.00 0.00 61.69 59.63 1ckj s THR 179 Cb -0.46 -2.06 0.00 0.00 -1.51 0.00 0.00 72.50 68.48 1ckj s THR 179 CO 0.32 -0.31 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 1ckj n GLY 180 N 4.57 0.44 3.66 6.08 0.00 -1.26 -4.75 105.19 113.92 1ckj n GLY 180 Ca -0.07 -2.29 -0.42 0.00 0.00 0.00 0.00 46.02 43.24 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 -0.37 3.79 0.41 2.61 2.01 -1.26 -4.89 115.64 117.94 1ckj s THR 181 Ca 0.00 0.97 0.33 0.00 0.31 0.00 0.00 61.69 63.30 1ckj s THR 181 Cb 0.00 -3.63 0.35 0.00 0.01 0.00 0.00 72.50 69.23 1ckj s THR 181 CO 0.00 -0.08 2.13 0.00 -0.69 0.00 0.00 174.62 175.98 1ckj h ALA 182 N 9.05 1.17 0.00 7.40 0.00 -1.94 -1.71 119.26 133.23 1ckj h ALA 182 Ca -0.35 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1ckj h ALA 182 Cb 1.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1ckj h ALA 182 CO 0.96 0.08 -0.25 -0.09 0.00 0.00 0.00 179.25 179.95 1ckj h ARG 183 N 0.00 0.00 -0.00 0.00 2.43 -1.97 -3.07 114.38 111.76 1ckj h ARG 183 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ckj h ARG 183 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1ckj h ARG 183 CO 0.01 0.25 -0.27 0.66 -1.51 0.00 0.00 179.97 179.10 1ckj n TYR 184 N -4.23 0.00 -1.67 2.20 4.01 -1.06 -5.02 117.16 111.40 1ckj n TYR 184 Ca -0.02 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.25 1ckj n TYR 184 Cb 0.30 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.29 1ckj n TYR 184 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ckj n ALA 185 N -0.82 1.27 -0.95 -0.72 0.00 -0.67 -4.24 120.51 114.40 1ckj n ALA 185 Ca 0.02 0.42 -0.32 0.00 0.00 0.00 0.00 53.44 53.56 1ckj n ALA 185 Cb 0.14 -2.37 0.14 0.00 0.00 0.00 0.00 19.45 17.36 1ckj n ALA 185 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ckj s SER 186 N 1.36 3.34 0.39 0.00 1.04 -1.26 -4.79 113.70 113.77 1ckj s SER 186 Ca 0.81 2.29 0.11 0.00 0.48 0.00 0.00 55.95 59.64 1ckj s SER 186 Cb -0.68 -2.58 0.90 0.00 0.10 0.00 0.00 66.02 63.76 1ckj s SER 186 CO 0.40 -2.83 1.91 0.40 0.98 0.00 0.00 173.24 174.09 1ckj h ILE 187 N -1.29 0.85 -0.66 -1.02 2.04 -1.98 -0.13 117.51 115.32 1ckj h ILE 187 Ca -0.45 -0.20 -0.07 0.00 1.00 0.00 0.00 64.86 65.14 1ckj h ILE 187 Cb 1.28 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1ckj h ILE 187 CO 0.44 0.11 0.16 0.78 0.00 0.00 0.00 178.15 179.64 1ckj h ASN 188 N 0.59 1.01 -0.71 1.72 2.35 -1.95 -1.76 115.58 116.84 1ckj h ASN 188 Ca 0.39 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1ckj h ASN 188 Cb 0.68 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 1ckj h ASN 188 CO -0.15 0.98 0.45 0.74 -1.65 0.00 0.00 177.43 177.80 1ckj h THR 189 N 0.99 1.19 0.00 2.81 2.02 -1.27 -0.80 112.91 117.84 1ckj h THR 189 Ca 0.21 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1ckj h THR 189 Cb 0.37 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1ckj h THR 189 CO 0.00 0.20 -0.16 0.45 0.37 0.00 0.00 175.52 176.38 1ckj h HIS 190 N 0.96 0.00 -0.31 3.16 3.86 -0.90 -1.09 115.15 120.84 1ckj h HIS 190 Ca 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 1ckj h HIS 190 Cb -0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.40 1ckj h HIS 190 CO -0.02 0.16 0.00 1.28 0.86 0.00 0.00 177.93 180.21 1ckj n LEU 191 N -3.97 3.24 -1.85 2.43 4.77 -0.39 -4.89 117.00 116.35 1ckj n LEU 191 Ca -0.02 -1.64 -0.19 0.00 -0.03 0.00 0.00 56.01 54.13 1ckj n LEU 191 Cb 0.24 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 40.73 1ckj n LEU 191 CO 0.33 0.45 -0.20 0.61 -1.33 0.00 0.00 177.39 177.25 1ckj n GLY 192 N 0.43 0.96 3.83 -0.72 0.00 -0.41 -4.61 105.19 104.68 1ckj n GLY 192 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.70 4.65 0.30 -0.61 1.01 -0.72 -0.64 121.20 122.50 1ckj s ILE 193 Ca 0.00 1.07 -0.30 0.00 0.00 0.00 0.00 60.65 61.42 1ckj s ILE 193 Cb 0.00 -3.73 -0.12 0.00 0.01 0.00 0.00 42.46 38.62 1ckj s ILE 193 CO 0.00 0.03 1.59 1.21 0.00 0.00 0.00 174.94 177.77 1ckj n GLU 194 N 0.22 2.71 -2.78 2.79 4.07 0.37 -4.50 120.64 123.52 1ckj n GLU 194 Ca 0.00 0.96 -0.34 0.00 -0.06 0.00 0.00 57.16 57.73 1ckj n GLU 194 Cb 0.52 -2.74 -0.06 0.00 -0.06 0.00 0.00 31.44 29.10 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 -0.68 4.22 0.29 5.31 -0.21 -1.26 -4.91 119.66 122.41 1ckj s GLN 195 Ca 0.63 1.18 -0.06 0.00 0.02 0.00 0.00 55.36 57.14 1ckj s GLN 195 Cb -0.49 -2.25 0.02 0.00 1.00 0.00 0.00 33.01 31.29 1ckj s GLN 195 CO 0.50 -0.04 0.48 -1.13 -2.12 0.00 0.00 175.29 172.97 1ckj n SER 196 N -0.52 -1.36 -0.32 5.90 3.41 -1.26 -5.03 113.62 114.44 1ckj n SER 196 Ca 0.07 -2.38 0.20 0.00 -0.26 0.00 0.00 58.87 56.50 1ckj n SER 196 Cb 0.53 2.39 0.40 0.00 -0.26 0.00 0.00 64.21 67.27 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 0.13 -0.75 4.33 3.08 -1.88 -0.82 114.38 118.47 1ckj h ARG 197 Ca -0.23 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 59.91 1ckj h ARG 197 Cb 0.94 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.91 1ckj h ARG 197 CO 0.31 0.09 0.49 0.07 -1.07 0.00 0.00 179.97 179.86 1ckj h ARG 198 N 0.14 0.62 -0.53 0.04 0.11 -1.85 -2.65 114.38 110.26 1ckj h ARG 198 Ca 0.67 -0.04 -0.11 0.00 0.10 0.00 0.00 59.98 60.60 1ckj h ARG 198 Cb 1.52 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 32.44 1ckj h ARG 198 CO -0.73 0.41 -0.09 -0.44 0.10 0.00 0.00 179.97 179.22 1ckj h ASP 199 N 0.64 1.01 -0.65 0.08 3.32 -1.50 -1.07 116.42 118.25 1ckj h ASP 199 Ca 0.35 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1ckj h ASP 199 Cb 0.50 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1ckj h ASP 199 CO -0.13 1.12 0.38 0.44 -1.72 0.00 0.00 179.24 179.33 1ckj h ASP 200 N 0.88 0.80 0.85 6.45 3.32 -1.56 -2.31 116.42 124.85 1ckj h ASP 200 Ca 0.14 -0.05 -0.24 0.00 0.02 0.00 0.00 57.03 56.91 1ckj h ASP 200 Cb 0.66 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1ckj h ASP 200 CO 0.05 0.62 -1.10 -0.07 -1.72 0.00 0.00 179.24 177.02 1ckj h LEU 201 N 0.91 0.17 -0.05 1.55 3.38 -1.47 -2.78 115.31 117.02 1ckj h LEU 201 Ca 0.24 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1ckj h LEU 201 Cb -0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1ckj h LEU 201 CO -0.04 1.14 0.01 -0.08 0.09 0.00 0.00 178.44 179.56 1ckj h GLU 202 N 0.03 0.09 -0.69 1.13 4.81 -0.98 -2.24 114.58 116.73 1ckj h GLU 202 Ca -0.06 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1ckj h GLU 202 Cb 1.85 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 31.18 1ckj h GLU 202 CO 0.16 0.32 0.46 0.77 -0.73 0.00 0.00 179.01 179.98 1ckj h SER 203 N -0.16 0.63 0.23 1.04 0.02 -1.50 0.51 113.55 114.32 1ckj h SER 203 Ca 0.02 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 1ckj h SER 203 Cb 0.27 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1ckj h SER 203 CO 0.00 0.41 -0.21 0.25 -1.14 0.00 0.00 176.83 176.14 1ckj h LEU 204 N 0.71 0.00 -0.40 5.07 5.85 -1.18 -1.56 115.31 123.80 1ckj h LEU 204 Ca 0.30 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 1ckj h LEU 204 Cb 0.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1ckj h LEU 204 CO -0.10 0.21 0.16 1.23 -0.34 0.00 0.00 178.44 179.60 1ckj h GLY 205 N 0.68 0.64 1.88 3.75 0.00 0.60 -1.29 103.07 109.33 1ckj h GLY 205 Ca -0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 1ckj h GLY 205 CO 0.03 0.33 -0.35 -0.97 0.00 0.00 0.00 176.54 175.57 1ckj h TYR 206 N 0.50 0.16 -0.53 5.60 0.05 -0.99 -2.30 116.97 119.45 1ckj h TYR 206 Ca 0.13 -0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.77 1ckj h TYR 206 Cb 0.19 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 1ckj h TYR 206 CO -0.00 0.47 -0.08 0.28 -1.05 0.00 0.00 178.16 177.79 1ckj h VAL 207 N 0.12 1.27 0.04 -2.88 2.07 -0.75 -0.16 116.25 115.95 1ckj h VAL 207 Ca 0.01 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.31 1ckj h VAL 207 Cb 0.68 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1ckj h VAL 207 CO 0.05 0.43 -0.02 -0.07 0.02 0.00 0.00 177.57 177.98 1ckj h LEU 208 N 0.87 -0.04 -1.83 2.57 3.38 -0.93 -1.83 115.31 117.49 1ckj h LEU 208 Ca 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1ckj h LEU 208 Cb 0.64 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1ckj h LEU 208 CO 0.04 0.13 -0.11 0.24 0.09 0.00 0.00 178.44 178.84 1ckj h MET 209 N -0.22 0.00 -0.69 1.13 2.86 -1.33 -0.00 114.93 116.68 1ckj h MET 209 Ca -0.01 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 1ckj h MET 209 Cb 0.20 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 1ckj h MET 209 CO 0.01 0.11 0.21 -0.92 1.06 0.00 0.00 176.91 177.38 1ckj h TYR 210 N 0.00 1.11 -0.30 -0.22 3.20 -0.67 0.52 116.97 120.62 1ckj h TYR 210 Ca -0.00 -0.12 -0.13 0.00 3.14 0.00 0.00 58.73 61.62 1ckj h TYR 210 Cb 0.21 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1ckj h TYR 210 CO 0.00 0.89 -0.34 0.74 -1.64 0.00 0.00 178.16 177.81 1ckj h PHE 211 N 1.01 0.78 0.13 -3.82 0.04 -0.21 0.70 116.94 115.57 1ckj h PHE 211 Ca 0.22 -0.21 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1ckj h PHE 211 Cb 0.31 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1ckj h PHE 211 CO 0.02 0.92 -0.06 -0.91 -0.60 0.00 0.00 178.31 177.68 1ckj h ASN 212 N 0.56 -0.14 -0.14 2.17 2.35 -0.73 -3.28 115.58 116.37 1ckj h ASN 212 Ca 0.06 -0.42 -0.19 0.00 -0.55 0.00 0.00 56.30 55.20 1ckj h ASN 212 Cb 0.86 0.04 0.01 0.00 0.05 0.00 0.00 38.32 39.27 1ckj h ASN 212 CO 0.07 0.43 -0.66 -0.07 -1.65 0.00 0.00 177.43 175.55 1ckj h LEU 213 N -0.81 0.82 0.00 1.61 3.38 -0.04 -3.46 115.31 116.81 1ckj h LEU 213 Ca -0.02 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1ckj h LEU 213 Cb 0.55 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1ckj h LEU 213 CO 0.03 1.31 0.00 0.61 0.09 0.00 0.00 178.44 180.48 1ckj n GLY 214 N 0.69 3.24 3.48 0.83 0.00 0.24 -4.98 105.19 108.69 1ckj n GLY 214 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.75 -0.53 0.03 1.61 1.04 -1.26 -4.98 113.70 108.86 1ckj s SER 215 Ca 0.00 0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.68 1ckj s SER 215 Cb 0.00 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 1ckj s SER 215 CO 0.00 -0.75 -0.04 -0.76 0.98 0.00 0.00 173.24 172.67 1ckj s LEU 216 N -2.16 3.29 0.66 2.42 1.43 -1.26 -4.82 118.68 118.24 1ckj s LEU 216 Ca -0.01 -0.14 0.16 0.00 -1.03 0.00 0.00 54.13 53.11 1ckj s LEU 216 Cb -0.01 -1.93 0.86 0.00 0.03 0.00 0.00 46.19 45.14 1ckj s LEU 216 CO -0.05 0.25 1.47 -0.65 0.23 0.00 0.00 176.35 177.61 1ckj h PRO 217 N 4.20 0.00 -0.11 1.29 0.11 -1.99 0.14 132.00 135.64 1ckj h PRO 217 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ckj h PRO 217 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ckj h PRO 217 CO 0.55 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.67 1ckj n TRP 218 N -2.79 0.13 -3.14 0.65 2.14 -1.26 -4.92 117.44 108.25 1ckj n TRP 218 Ca 0.01 -0.09 -0.41 0.00 2.07 0.00 0.00 57.50 59.08 1ckj n TRP 218 Cb 0.74 -0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 31.17 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 -1.36 3.72 0.00 -2.67 0.74 0.50 -4.02 119.66 116.58 1ckj s GLN 219 Ca 0.23 0.07 0.00 0.00 0.05 0.00 0.00 55.36 55.71 1ckj s GLN 219 Cb 0.15 -3.79 0.00 0.00 1.10 0.00 0.00 33.01 30.47 1ckj s GLN 219 CO 0.22 -0.67 0.00 0.41 -0.55 0.00 0.00 175.29 174.70 1ckj n GLY 220 N 4.64 1.31 3.69 2.59 0.00 -1.26 -4.78 105.19 111.38 1ckj n GLY 220 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1ckj n GLY 220 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ckj s LEU 221 N 0.00 4.30 0.01 0.99 1.43 -1.26 -4.99 118.68 119.16 1ckj s LEU 221 Ca 0.00 1.86 -0.30 0.00 -1.03 0.00 0.00 54.13 54.66 1ckj s LEU 221 Cb 0.00 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 1ckj s LEU 221 CO 0.00 -0.57 1.12 -0.54 0.23 0.00 0.00 176.35 176.60 1ckj s LYS 222 N 2.00 4.45 -0.07 1.70 3.01 -1.26 -5.01 119.74 124.56 1ckj s LYS 222 Ca 0.57 1.63 -0.30 0.00 -1.01 0.00 0.00 55.97 56.86 1ckj s LYS 222 Cb -0.26 -3.43 0.10 0.00 -1.01 0.00 0.00 37.83 33.24 1ckj s LYS 222 CO 0.24 -0.23 0.85 0.00 0.51 0.00 0.00 175.35 176.72 1ckj s ALA 223 N 1.30 -1.84 -0.17 5.17 0.00 -1.26 -5.02 121.76 119.94 1ckj s ALA 223 Ca 0.56 1.32 -0.16 0.00 0.00 0.00 0.00 51.96 53.67 1ckj s ALA 223 Cb -0.26 -0.16 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 1ckj s ALA 223 CO 0.27 -0.44 -0.30 0.00 0.00 0.00 0.00 175.76 175.29 1ckj n ALA 224 N 0.51 0.79 -1.89 0.00 0.00 -1.26 -4.92 120.51 113.73 1ckj n ALA 224 Ca -0.13 -0.73 -0.41 0.00 0.00 0.00 0.00 53.44 52.17 1ckj n ALA 224 Cb 0.59 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 1ckj n ALA 224 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ckj s THR 225 N -2.73 3.05 0.15 0.00 2.01 -1.26 -4.91 115.64 111.95 1ckj s THR 225 Ca -0.26 0.94 -0.14 0.00 0.31 0.00 0.00 61.69 62.54 1ckj s THR 225 Cb 0.04 -3.60 0.03 0.00 0.01 0.00 0.00 72.50 68.97 1ckj s THR 225 CO 0.38 0.18 1.70 0.11 -0.69 0.00 0.00 174.62 176.30 1ckj h LYS 226 N 4.54 0.72 0.00 4.92 1.57 -1.98 0.33 116.57 126.65 1ckj h LYS 226 Ca -0.46 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.12 1ckj h LYS 226 Cb 1.22 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1ckj h LYS 226 CO 0.72 0.65 -0.31 -0.09 -0.57 0.00 0.00 179.45 179.85 1ckj h ARG 227 N 0.63 0.00 -0.32 3.15 2.43 -1.99 0.26 114.38 118.55 1ckj h ARG 227 Ca 0.16 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 1ckj h ARG 227 Cb 0.20 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1ckj h ARG 227 CO -0.01 0.31 -0.14 0.37 -1.51 0.00 0.00 179.97 178.99 1ckj h GLN 228 N 0.00 0.66 0.22 0.20 4.15 -1.75 -0.48 115.11 118.11 1ckj h GLN 228 Ca -0.00 -0.28 0.01 0.00 0.77 0.00 0.00 58.65 59.15 1ckj h GLN 228 Cb 0.56 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.19 1ckj h GLN 228 CO 0.04 0.87 -0.38 0.87 -1.93 0.00 0.00 178.83 178.29 1ckj h LYS 229 N 0.42 -0.65 -0.67 1.69 1.79 0.90 -1.04 116.57 119.01 1ckj h LYS 229 Ca 0.07 0.04 0.10 0.00 -2.18 0.00 0.00 60.65 58.68 1ckj h LYS 229 Cb 0.66 0.15 -0.07 0.00 -1.58 0.00 0.00 32.23 31.39 1ckj h LYS 229 CO 0.04 -0.44 0.29 1.88 -1.08 0.00 0.00 179.45 180.15 1ckj h TYR 230 N -0.68 0.52 -0.50 -1.35 -1.99 -0.91 0.12 116.97 112.18 1ckj h TYR 230 Ca 0.00 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.82 1ckj h TYR 230 Cb 0.67 -0.13 -0.05 0.00 2.00 0.00 0.00 36.73 39.21 1ckj h TYR 230 CO -0.29 0.16 0.20 1.49 -0.00 0.00 0.00 178.16 179.72 1ckj h GLU 231 N 0.51 0.39 -0.03 4.88 4.81 -0.48 0.19 114.58 124.84 1ckj h GLU 231 Ca 0.33 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1ckj h GLU 231 Cb 0.39 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1ckj h GLU 231 CO -0.29 0.26 0.00 0.00 -0.73 0.00 0.00 179.01 178.25 1ckj h ARG 232 N 0.40 0.05 -0.34 1.92 2.47 -0.11 -1.50 114.38 117.27 1ckj h ARG 232 Ca 0.23 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.99 1ckj h ARG 232 Cb 0.21 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.48 1ckj h ARG 232 CO -0.21 0.31 0.08 0.82 0.56 0.00 0.00 179.97 181.52 1ckj h ILE 233 N -0.21 0.84 -0.76 2.04 2.04 -0.66 -0.69 117.51 120.10 1ckj h ILE 233 Ca 0.01 -0.07 0.04 0.00 1.00 0.00 0.00 64.86 65.84 1ckj h ILE 233 Cb 0.28 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 1ckj h ILE 233 CO 0.00 0.04 0.47 -1.28 0.00 0.00 0.00 178.15 177.38 1ckj h SER 234 N 0.20 0.77 0.58 1.72 0.87 -0.58 -0.44 113.55 116.65 1ckj h SER 234 Ca 0.16 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 1ckj h SER 234 Cb 0.18 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1ckj h SER 234 CO -0.21 0.52 -0.30 -0.33 -0.53 0.00 0.00 176.83 175.98 1ckj h GLU 235 N 0.91 -0.78 -0.60 2.24 5.08 -0.15 0.47 114.58 121.75 1ckj h GLU 235 Ca 0.31 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.79 1ckj h GLU 235 Cb 0.06 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 1ckj h GLU 235 CO -0.13 -0.52 0.29 -0.22 -1.00 0.00 0.00 179.01 177.43 1ckj h LYS 236 N -0.81 0.52 0.73 2.33 3.11 -0.97 0.16 116.57 121.65 1ckj h LYS 236 Ca -0.08 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.70 1ckj h LYS 236 Cb 0.63 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.74 1ckj h LYS 236 CO 0.11 0.35 -0.46 -0.22 -2.81 0.00 0.00 179.45 176.42 1ckj h LYS 237 N 0.54 -1.08 -0.31 1.90 3.64 -0.88 -0.15 116.57 120.24 1ckj h LYS 237 Ca 0.28 0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.79 1ckj h LYS 237 Cb 0.23 0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 1ckj h LYS 237 CO -0.21 -0.72 0.21 0.52 -2.27 0.00 0.00 179.45 176.98 1ckj h MET 238 N -1.12 0.15 -0.01 1.90 2.86 -0.62 -1.87 114.93 116.21 1ckj h MET 238 Ca -0.10 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1ckj h MET 238 Cb 0.90 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1ckj h MET 238 CO 0.09 0.10 -0.03 0.43 1.06 0.00 0.00 176.91 178.56 1ckj n SER 239 N -4.47 1.43 -4.29 1.22 7.64 0.53 -4.76 113.62 110.91 1ckj n SER 239 Ca 0.04 -1.42 -0.41 0.00 1.01 0.00 0.00 58.87 58.09 1ckj n SER 239 Cb 0.28 0.01 -0.10 0.00 -1.01 0.00 0.00 64.21 63.40 1ckj n SER 239 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ckj s THR 240 N -2.06 4.37 0.34 0.44 2.01 -0.11 -5.02 115.64 115.62 1ckj s THR 240 Ca 0.37 -1.33 -0.29 0.00 0.31 0.00 0.00 61.69 60.75 1ckj s THR 240 Cb 0.21 -3.65 -0.12 0.00 0.01 0.00 0.00 72.50 68.94 1ckj s THR 240 CO 0.36 -0.50 1.41 -2.65 -0.69 0.00 0.00 174.62 172.55 1ckj n PRO 241 N 4.96 2.41 -0.18 4.92 -0.02 -1.26 -4.79 135.00 141.04 1ckj n PRO 241 Ca -0.10 0.85 -0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1ckj n PRO 241 Cb 0.43 -2.52 0.24 0.00 -0.02 0.00 0.00 33.50 31.63 1ckj n PRO 241 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1ckj h ILE 242 N 2.84 1.20 -0.87 4.25 2.04 -1.97 0.28 117.51 125.28 1ckj h ILE 242 Ca -0.48 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 64.91 1ckj h ILE 242 Cb 1.26 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 1ckj h ILE 242 CO 0.66 0.22 0.57 -0.33 0.00 0.00 0.00 178.15 179.27 1ckj h GLU 243 N 0.92 1.11 -0.01 2.37 3.07 -1.95 -0.11 114.58 119.98 1ckj h GLU 243 Ca 0.24 -0.07 -0.09 0.00 -0.50 0.00 0.00 59.36 58.94 1ckj h GLU 243 Cb 0.02 -0.25 0.01 0.00 -0.84 0.00 0.00 28.75 27.68 1ckj h GLU 243 CO -0.04 0.73 -0.33 0.28 -1.40 0.00 0.00 179.01 178.26 1ckj h VAL 244 N 1.14 1.50 -0.27 3.13 2.07 -1.58 -3.10 116.25 119.14 1ckj h VAL 244 Ca 0.33 -1.92 0.06 0.00 0.82 0.00 0.00 66.70 65.99 1ckj h VAL 244 Cb -0.08 2.64 -0.08 0.00 -1.52 0.00 0.00 31.29 32.25 1ckj h VAL 244 CO -0.08 0.54 -0.31 0.25 0.02 0.00 0.00 177.57 177.99 1ckj h LEU 245 N -0.36 -0.99 -0.65 2.57 6.46 -0.04 -0.22 115.31 122.08 1ckj h LEU 245 Ca -0.04 0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1ckj h LEU 245 Cb 1.05 0.45 0.00 0.00 -0.73 0.00 0.00 40.66 41.43 1ckj h LEU 245 CO 0.06 -0.33 0.00 0.00 -0.62 0.00 0.00 178.44 177.56 1ckj n LYS 247 N -0.15 1.36 -0.16 0.00 4.81 -0.10 -1.08 118.16 122.85 1ckj n LYS 247 Ca 0.03 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 1ckj n LYS 247 Cb 0.17 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.02 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 3.88 1.65 3.80 3.14 0.00 -1.26 -5.04 105.19 111.37 1ckj n GLY 248 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.80 3.22 -0.37 1.61 1.51 -0.24 -5.02 117.35 115.26 1ckj s TYR 249 Ca 0.00 0.07 -0.43 0.00 -1.01 0.00 0.00 57.07 55.70 1ckj s TYR 249 Cb 0.00 -1.61 -0.17 0.00 -0.11 0.00 0.00 41.96 40.07 1ckj s TYR 249 CO 0.00 0.53 1.69 -2.30 -1.11 0.00 0.00 175.55 174.35 1ckj n PRO 250 N 0.20 0.70 -0.52 -1.71 -0.02 -1.26 -4.75 135.00 127.64 1ckj n PRO 250 Ca -0.08 0.26 0.40 0.00 -2.02 0.00 0.00 63.50 62.06 1ckj n PRO 250 Cb 0.52 -1.87 0.63 0.00 -0.02 0.00 0.00 33.50 32.76 1ckj n PRO 250 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1ckj n SER 251 N 4.84 0.06 -0.32 2.55 3.41 -1.26 -1.59 113.62 121.30 1ckj n SER 251 Ca 0.28 0.91 0.21 0.00 -0.26 0.00 0.00 58.87 60.01 1ckj n SER 251 Cb 0.06 -0.45 0.41 0.00 -0.26 0.00 0.00 64.21 63.97 1ckj n SER 251 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ckj h GLU 252 N 0.00 0.21 -0.45 4.33 3.07 -1.97 0.37 114.58 120.13 1ckj h GLU 252 Ca 0.75 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.56 1ckj h GLU 252 Cb 2.82 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 30.67 1ckj h GLU 252 CO -0.13 0.14 0.13 0.74 -1.40 0.00 0.00 179.01 178.49 1ckj h PHE 253 N 0.21 0.74 -0.68 4.33 0.04 -1.64 0.21 116.94 120.16 1ckj h PHE 253 Ca 0.68 -0.08 -0.07 0.00 2.80 0.00 0.00 57.97 61.30 1ckj h PHE 253 Cb 1.53 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 39.44 1ckj h PHE 253 CO -0.14 0.67 0.14 0.00 -0.60 0.00 0.00 178.31 178.39 1ckj h ALA 254 N 0.99 0.97 -0.80 2.45 0.00 -0.65 -1.60 119.26 120.63 1ckj h ALA 254 Ca 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1ckj h ALA 254 Cb 0.29 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1ckj h ALA 254 CO -0.00 0.66 0.39 1.15 0.00 0.00 0.00 179.25 181.44 1ckj h THR 255 N 1.03 1.25 0.74 0.00 2.02 -0.05 -1.37 112.91 116.53 1ckj h THR 255 Ca 0.21 -0.70 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 1ckj h THR 255 Cb 0.39 0.24 0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1ckj h THR 255 CO 0.01 0.30 -0.35 0.22 0.37 0.00 0.00 175.52 176.06 1ckj h TYR 256 N 1.12 -0.92 -0.82 3.16 5.03 0.00 -1.00 116.97 123.55 1ckj h TYR 256 Ca 0.27 -0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.62 1ckj h TYR 256 Cb 0.11 0.30 -0.06 0.00 1.55 0.00 0.00 36.73 38.64 1ckj h TYR 256 CO 0.01 -0.55 0.50 -0.07 -1.32 0.00 0.00 178.16 176.73 1ckj h LEU 257 N -1.09 0.78 -0.11 2.82 3.38 -1.26 -0.93 115.31 118.91 1ckj h LEU 257 Ca -0.10 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1ckj h LEU 257 Cb 0.78 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1ckj h LEU 257 CO 0.17 0.50 -0.01 0.78 0.09 0.00 0.00 178.44 179.97 1ckj h ASN 258 N 0.92 -0.07 -0.40 -0.43 2.35 -1.18 1.00 115.58 117.77 1ckj h ASN 258 Ca 0.36 0.03 0.05 0.00 -0.55 0.00 0.00 56.30 56.19 1ckj h ASN 258 Cb 0.16 0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 1ckj h ASN 258 CO -0.17 -0.02 0.13 0.15 -1.65 0.00 0.00 177.43 175.87 1ckj h PHE 259 N 0.02 0.23 -0.67 1.19 3.57 -0.54 -2.34 116.94 118.41 1ckj h PHE 259 Ca 0.05 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1ckj h PHE 259 Cb 0.07 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1ckj h PHE 259 CO -0.14 0.08 0.35 0.00 -2.23 0.00 0.00 178.31 176.37 1ckj n ARG 261 N -4.50 0.82 0.00 0.00 1.74 0.30 -3.09 116.66 111.93 1ckj n ARG 261 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1ckj n ARG 261 Cb 0.11 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1ckj n ARG 261 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1ckj n SER 262 N -0.37 0.62 -4.76 0.55 3.41 -0.91 -5.04 113.62 107.12 1ckj n SER 262 Ca 0.00 -0.28 -0.41 0.00 -0.26 0.00 0.00 58.87 57.92 1ckj n SER 262 Cb 0.05 0.69 -0.02 0.00 -0.26 0.00 0.00 64.21 64.67 1ckj n SER 262 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ckj s LEU 263 N -1.50 4.38 0.67 1.04 1.43 -1.13 -4.97 118.68 118.60 1ckj s LEU 263 Ca 0.00 2.78 -0.14 0.00 -1.03 0.00 0.00 54.13 55.73 1ckj s LEU 263 Cb 0.00 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.59 1ckj s LEU 263 CO 0.00 -0.72 1.11 -0.13 0.23 0.00 0.00 176.35 176.84 1ckj s ARG 264 N -1.05 2.74 0.22 1.70 0.52 -1.26 -4.89 118.95 116.92 1ckj s ARG 264 Ca 0.56 1.35 -0.15 0.00 -0.52 0.00 0.00 55.73 56.97 1ckj s ARG 264 Cb -0.43 -1.94 0.24 0.00 0.52 0.00 0.00 34.95 33.33 1ckj s ARG 264 CO 0.50 -1.29 1.43 0.34 0.02 0.00 0.00 175.30 176.29 1ckj n PHE 265 N -2.57 0.05 0.41 -0.53 7.35 -1.26 -0.36 117.46 120.56 1ckj n PHE 265 Ca 0.10 1.13 0.07 0.00 -0.76 0.00 0.00 57.45 57.99 1ckj n PHE 265 Cb 0.52 -0.86 0.21 0.00 0.35 0.00 0.00 39.48 39.70 1ckj n PHE 265 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1ckj n ASP 266 N -5.37 2.73 -4.78 -2.13 5.75 -1.26 -4.65 116.55 106.84 1ckj n ASP 266 Ca 0.10 -2.12 -0.41 0.00 -0.01 0.00 0.00 54.79 52.35 1ckj n ASP 266 Cb 0.38 -0.37 -0.01 0.00 -1.03 0.00 0.00 41.12 40.09 1ckj n ASP 266 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1ckj s ASP 267 N -0.89 6.48 -0.44 -1.12 1.11 0.52 -4.97 116.67 117.35 1ckj s ASP 267 Ca 0.31 2.94 -0.19 0.00 0.18 0.00 0.00 52.55 55.78 1ckj s ASP 267 Cb 0.18 -2.66 0.03 0.00 1.07 0.00 0.00 42.92 41.53 1ckj s ASP 267 CO 0.18 -0.77 0.58 -0.75 1.18 0.00 0.00 175.17 175.59 1ckj s LYS 268 N -1.96 3.20 0.60 8.23 2.36 -1.26 -4.74 119.74 126.17 1ckj s LYS 268 Ca 0.52 -0.56 -0.19 0.00 -2.55 0.00 0.00 55.97 53.19 1ckj s LYS 268 Cb -0.44 -3.97 -0.04 0.00 -1.05 0.00 0.00 37.83 32.32 1ckj s LYS 268 CO 0.60 -0.99 1.21 -2.30 1.55 0.00 0.00 175.35 175.42 1ckj n PRO 269 N 6.06 1.24 -3.27 4.03 -0.02 -1.26 -4.93 135.00 136.85 1ckj n PRO 269 Ca -0.04 0.47 -0.46 0.00 -2.02 0.00 0.00 63.50 61.45 1ckj n PRO 269 Cb 0.47 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 1ckj n PRO 269 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1ckj s ASP 270 N -1.17 6.89 0.52 2.55 -1.08 -1.26 -4.88 116.67 118.24 1ckj s ASP 270 Ca 0.77 -2.84 0.25 0.00 -0.52 0.00 0.00 52.55 50.21 1ckj s ASP 270 Cb -0.41 -2.24 1.44 0.00 -1.46 0.00 0.00 42.92 40.26 1ckj s ASP 270 CO 0.45 -0.57 2.10 1.88 0.52 0.00 0.00 175.17 179.56 1ckj h TYR 271 N 7.61 0.00 -0.29 -5.34 0.05 -1.97 -2.62 116.97 114.41 1ckj h TYR 271 Ca 0.14 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.77 1ckj h TYR 271 Cb 0.99 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.73 1ckj h TYR 271 CO 0.99 0.10 -0.41 0.77 -1.05 0.00 0.00 178.16 178.56 1ckj h SER 272 N 0.00 0.86 0.14 3.88 0.02 -1.98 -1.61 113.55 114.86 1ckj h SER 272 Ca -0.00 -0.51 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 1ckj h SER 272 Cb 0.25 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ckj h SER 272 CO 0.01 1.20 -0.07 0.22 -1.14 0.00 0.00 176.83 177.06 1ckj h TYR 273 N 0.55 -0.17 -0.94 3.45 3.20 -1.92 0.31 116.97 121.44 1ckj h TYR 273 Ca 0.03 -0.00 0.17 0.00 3.14 0.00 0.00 58.73 62.07 1ckj h TYR 273 Cb 1.01 0.06 -0.08 0.00 1.54 0.00 0.00 36.73 39.25 1ckj h TYR 273 CO 0.07 0.10 0.60 -0.07 -1.64 0.00 0.00 178.16 177.22 1ckj h LEU 274 N -0.44 0.65 -0.09 2.82 3.38 -1.48 -0.60 115.31 119.56 1ckj h LEU 274 Ca -0.02 0.06 -0.24 0.00 0.09 0.00 0.00 57.88 57.77 1ckj h LEU 274 Cb 0.35 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ckj h LEU 274 CO 0.03 0.28 -1.03 0.03 0.09 0.00 0.00 178.44 177.84 1ckj h ARG 275 N 0.66 0.35 -0.39 1.13 3.08 -0.93 -3.25 114.38 115.03 1ckj h ARG 275 Ca 0.50 -0.43 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1ckj h ARG 275 Cb 0.89 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 1ckj h ARG 275 CO -0.26 1.13 0.22 0.37 -1.07 0.00 0.00 179.97 180.36 1ckj h GLN 276 N 0.17 0.52 0.58 0.04 5.75 0.11 -0.56 115.11 121.72 1ckj h GLN 276 Ca -0.09 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.34 1ckj h GLN 276 Cb 1.70 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 30.12 1ckj h GLN 276 CO 0.17 0.38 -0.50 -0.07 -2.65 0.00 0.00 178.83 176.16 1ckj h LEU 277 N 0.53 -1.34 -0.79 -2.39 3.38 -1.36 -0.14 115.31 113.20 1ckj h LEU 277 Ca 0.14 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 1ckj h LEU 277 Cb -0.00 0.43 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1ckj h LEU 277 CO -0.03 -0.69 0.06 -0.26 0.09 0.00 0.00 178.44 177.61 1ckj h PHE 278 N -1.06 1.04 -0.03 1.13 0.04 -1.62 -0.66 116.94 115.77 1ckj h PHE 278 Ca -0.07 -0.15 -0.05 0.00 2.80 0.00 0.00 57.97 60.50 1ckj h PHE 278 Cb 0.90 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 1ckj h PHE 278 CO -0.21 0.90 -0.24 0.00 -0.60 0.00 0.00 178.31 178.16 1ckj h ARG 279 N 0.91 0.05 -0.08 1.51 3.08 -0.99 0.43 114.38 119.29 1ckj h ARG 279 Ca 0.18 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 60.00 1ckj h ARG 279 Cb 0.45 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1ckj h ARG 279 CO 0.02 0.29 -0.82 -0.91 -1.07 0.00 0.00 179.97 177.48 1ckj h ASN 280 N 0.05 0.68 0.14 7.04 -0.26 -0.39 -2.02 115.58 120.81 1ckj h ASN 280 Ca 0.01 -0.47 -0.15 0.00 -0.56 0.00 0.00 56.30 55.12 1ckj h ASN 280 Cb 0.45 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 1ckj h ASN 280 CO 0.03 1.25 -0.55 0.25 -1.06 0.00 0.00 177.43 177.36 1ckj h LEU 281 N 0.36 0.49 -0.67 1.61 5.85 -0.31 -0.75 115.31 121.89 1ckj h LEU 281 Ca -0.06 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 1ckj h LEU 281 Cb 1.43 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 1ckj h LEU 281 CO 0.15 0.94 0.23 0.15 -0.34 0.00 0.00 178.44 179.56 1ckj h PHE 282 N 0.34 1.06 -0.07 1.25 3.57 -0.11 -2.52 116.94 120.45 1ckj h PHE 282 Ca 0.01 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 1ckj h PHE 282 Cb 1.06 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 1ckj h PHE 282 CO 0.04 0.85 -0.02 1.25 -2.23 0.00 0.00 178.31 178.19 1ckj h HIS 283 N 0.96 0.17 0.00 0.41 2.76 -1.12 -2.44 115.15 115.88 1ckj h HIS 283 Ca 0.22 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 1ckj h HIS 283 Cb 0.27 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.19 1ckj h HIS 283 CO 0.02 0.49 -0.08 0.00 -1.30 0.00 0.00 177.93 177.06 1ckj h ARG 284 N -0.21 0.00 -0.04 5.26 3.08 -1.05 -0.69 114.38 120.73 1ckj h ARG 284 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1ckj h ARG 284 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1ckj h ARG 284 CO 0.01 0.08 0.00 1.04 -1.07 0.00 0.00 179.97 180.03 1ckj n GLN 285 N -3.91 1.23 -1.56 0.04 1.13 -0.96 -4.89 117.38 108.47 1ckj n GLN 285 Ca -0.02 -0.35 -0.16 0.00 -1.94 0.00 0.00 57.00 54.53 1ckj n GLN 285 Cb 0.17 -1.36 -0.06 0.00 0.11 0.00 0.00 30.24 29.10 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 0.93 1.35 3.73 1.08 0.00 -0.27 -4.94 105.19 107.08 1ckj n GLY 286 Ca 0.16 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.61 3.34 0.22 1.61 0.08 -0.93 -5.02 117.98 114.67 1ckj s PHE 287 Ca 0.00 1.26 -0.00 0.00 0.12 0.00 0.00 56.93 58.31 1ckj s PHE 287 Cb 0.00 -3.53 -0.04 0.00 -0.57 0.00 0.00 43.02 38.88 1ckj s PHE 287 CO 0.00 -1.65 0.40 -1.54 -0.10 0.00 0.00 175.22 172.34 1ckj s SER 288 N 0.48 6.37 -1.14 1.36 1.04 -1.26 -4.73 113.70 115.81 1ckj s SER 288 Ca 0.57 0.37 -0.17 0.00 0.48 0.00 0.00 55.95 57.20 1ckj s SER 288 Cb -0.34 -2.00 0.12 0.00 0.10 0.00 0.00 66.02 63.90 1ckj s SER 288 CO 0.35 -0.07 1.44 -0.31 0.98 0.00 0.00 173.24 175.64 1ckj s TYR 289 N -1.93 3.08 0.11 5.02 2.02 -1.26 -4.95 117.35 119.44 1ckj s TYR 289 Ca 0.38 -1.64 0.10 0.00 -0.37 0.00 0.00 57.07 55.54 1ckj s TYR 289 Cb -0.11 -4.48 -0.04 0.00 -0.40 0.00 0.00 41.96 36.94 1ckj s TYR 289 CO 0.30 -1.60 -0.25 0.16 -1.57 0.00 0.00 175.55 172.58 1ckj s ASP 290 N 3.69 3.38 -0.73 2.29 1.47 -1.26 -5.04 116.67 120.47 1ckj s ASP 290 Ca 0.44 -0.68 -0.02 0.00 1.18 0.00 0.00 52.55 53.46 1ckj s ASP 290 Cb -0.01 -0.29 0.29 0.00 -0.34 0.00 0.00 42.92 42.57 1ckj s ASP 290 CO -0.02 0.20 2.20 -1.22 0.68 0.00 0.00 175.17 177.02 1ckj n TYR 291 N 1.10 2.64 -4.18 2.11 4.01 -1.26 -4.88 117.16 116.70 1ckj n TYR 291 Ca -0.17 -2.28 -0.34 0.00 -0.16 0.00 0.00 57.90 54.94 1ckj n TYR 291 Cb 0.53 -1.25 -0.14 0.00 -0.31 0.00 0.00 39.34 38.17 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 -4.33 3.45 0.49 -0.72 1.01 -1.26 -5.02 120.40 114.02 1ckj s VAL 292 Ca 0.54 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 62.10 1ckj s VAL 292 Cb 0.43 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1ckj s VAL 292 CO -0.33 0.45 0.34 -0.36 0.00 0.00 0.00 175.10 175.21 1ckj s PHE 293 N 1.02 2.09 0.16 5.22 0.08 -1.26 -4.97 117.98 120.32 1ckj s PHE 293 Ca 0.00 -0.71 -0.27 0.00 0.12 0.00 0.00 56.93 56.08 1ckj s PHE 293 Cb -0.15 -1.98 0.00 0.00 -0.57 0.00 0.00 43.02 40.33 1ckj s PHE 293 CO 0.00 -0.24 1.57 -0.44 -0.10 0.00 0.00 175.22 176.01 1ckj h ASP 294 N 0.97 -1.44 0.00 1.36 5.19 -1.96 0.22 116.42 120.76 1ckj h ASP 294 Ca -0.39 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 1ckj h ASP 294 Cb 1.28 0.63 0.00 0.00 0.18 0.00 0.00 39.33 41.43 1ckj h ASP 294 CO 0.60 -0.36 0.27 4.11 -3.12 0.00 0.00 179.24 180.74 1ckj h TRP 295 N -0.31 0.00 0.00 4.55 0.09 -1.96 0.11 115.95 118.43 1ckj h TRP 295 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.12 1ckj h TRP 295 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.82 1ckj h TRP 295 CO -0.64 0.00 -0.20 0.09 0.09 0.00 0.00 178.44 177.78 1ckj n ASN 296 N -2.92 0.39 -0.86 0.11 5.03 0.75 -3.40 115.26 114.37 1ckj n ASN 296 Ca -0.02 0.29 0.12 0.00 0.87 0.00 0.00 54.58 55.84 1ckj n ASN 296 Cb 0.32 -0.30 0.25 0.00 -1.02 0.00 0.00 39.78 39.03 1ckj n ASN 296 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 1ckj n MET 297 N -1.75 2.16 0.00 3.52 2.81 0.38 -4.96 117.12 119.28 1ckj n MET 297 Ca 0.06 -1.71 0.13 0.00 -1.81 0.00 0.00 57.70 54.37 1ckj n MET 297 Cb 0.37 -1.47 0.42 0.00 -0.71 0.00 0.00 33.22 31.83 1ckj n MET 297 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76