#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k5g s ARG 3 N 0.00 2.87 -0.10 0.00 3.52 -1.26 0.38 118.95 124.36 1k5g s ARG 3 Ca 0.00 -0.79 0.01 0.00 -0.13 0.00 0.00 55.73 54.82 1k5g s ARG 3 Cb 0.00 -2.40 -0.02 0.00 -1.56 0.00 0.00 34.95 30.97 1k5g s ARG 3 CO 0.00 -0.10 -0.13 0.12 -0.81 0.00 0.00 175.30 174.38 1k5g s PHE 4 N 1.04 2.78 -0.19 5.12 5.36 -0.15 -5.01 117.98 126.93 1k5g s PHE 4 Ca -0.02 -0.42 -0.23 0.00 -0.96 0.00 0.00 56.93 55.30 1k5g s PHE 4 Cb -0.14 -1.76 0.06 0.00 -0.34 0.00 0.00 43.02 40.83 1k5g s PHE 4 CO -0.06 -0.03 0.62 0.45 -1.46 0.00 0.00 175.22 174.73 1k5g s SER 5 N -0.10 -0.63 -0.12 6.13 0.15 -1.26 -0.68 113.70 117.19 1k5g s SER 5 Ca -0.01 1.10 0.15 0.00 0.70 0.00 0.00 55.95 57.89 1k5g s SER 5 Cb -0.14 1.09 0.36 0.00 -1.71 0.00 0.00 66.02 65.62 1k5g s SER 5 CO 0.04 -0.30 1.17 2.30 1.20 0.00 0.00 173.24 177.65 1k5g n ILE 6 N 2.33 1.30 -1.63 6.45 -5.35 -0.93 -4.99 119.36 116.54 1k5g n ILE 6 Ca -0.15 -2.11 -0.53 0.00 -0.27 0.00 0.00 62.75 59.68 1k5g n ILE 6 Cb 0.56 0.19 -0.06 0.00 -1.74 0.00 0.00 39.64 38.59 1k5g n ILE 6 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1k5g n GLU 7 N -0.60 1.21 -0.71 6.28 2.13 -1.25 -1.73 120.64 125.97 1k5g n GLU 7 Ca 0.13 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.39 1k5g n GLU 7 Cb 0.81 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.42 1k5g n GLU 7 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k5g n GLY 8 N 3.07 0.34 0.00 8.31 0.00 -0.88 -4.82 105.19 111.21 1k5g n GLY 8 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.28 1k5g n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k5g n LYS 9 N -1.86 0.41 -4.06 1.61 5.02 -0.71 -4.85 118.16 113.72 1k5g n LYS 9 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 1k5g n LYS 9 Cb 0.03 -1.38 -0.04 0.00 -0.02 0.00 0.00 35.03 33.63 1k5g n LYS 9 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1k5g n SER 10 N -0.88 -1.21 -4.80 4.39 7.64 -0.68 -4.90 113.62 113.18 1k5g n SER 10 Ca 0.07 -1.12 -0.38 0.00 1.01 0.00 0.00 58.87 58.46 1k5g n SER 10 Cb 0.03 -1.37 -0.06 0.00 -1.01 0.00 0.00 64.21 61.81 1k5g n SER 10 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1k5g s LEU 11 N -6.97 4.42 -1.22 -3.43 1.43 -1.25 -4.96 118.68 106.70 1k5g s LEU 11 Ca 0.20 0.92 -0.10 0.00 -1.03 0.00 0.00 54.13 54.11 1k5g s LEU 11 Cb -0.11 -2.61 0.19 0.00 0.03 0.00 0.00 46.19 43.69 1k5g s LEU 11 CO 0.85 0.23 1.60 1.17 0.23 0.00 0.00 176.35 180.44 1k5g n LYS 12 N 2.36 3.61 -2.47 1.70 4.81 -1.26 -1.35 118.16 125.56 1k5g n LYS 12 Ca -0.12 -3.84 -0.39 0.00 -0.87 0.00 0.00 58.31 53.10 1k5g n LYS 12 Cb 0.52 -2.90 -0.03 0.00 0.02 0.00 0.00 35.03 32.64 1k5g n LYS 12 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1k5g s LEU 13 N 0.15 3.45 -0.15 3.14 1.43 -0.61 -4.82 118.68 121.26 1k5g s LEU 13 Ca 0.39 -1.34 -0.24 0.00 -1.03 0.00 0.00 54.13 51.91 1k5g s LEU 13 Cb 0.03 -2.57 -0.24 0.00 0.03 0.00 0.00 46.19 43.44 1k5g s LEU 13 CO 0.01 -1.72 0.54 0.44 0.23 0.00 0.00 176.35 175.85 1k5g h ASP 14 N 10.01 0.08 0.00 2.29 3.32 -1.93 -0.31 116.42 129.88 1k5g h ASP 14 Ca 0.19 -0.80 0.00 0.00 0.02 0.00 0.00 57.03 56.44 1k5g h ASP 14 Cb 1.01 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1k5g h ASP 14 CO 1.39 1.29 -0.64 0.00 -1.72 0.00 0.00 179.24 179.56 1k5g n ALA 15 N -2.96 3.00 -2.16 3.45 0.00 -1.26 -1.65 120.51 118.93 1k5g n ALA 15 Ca -0.20 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.21 1k5g n ALA 15 Cb 0.63 0.40 0.00 0.00 0.00 0.00 0.00 19.45 20.49 1k5g n ALA 15 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1k5g n ILE 16 N -3.16 -5.97 0.00 0.00 5.41 -1.26 -3.04 119.36 111.33 1k5g n ILE 16 Ca 0.00 0.26 0.00 0.00 1.00 0.00 0.00 62.75 64.01 1k5g n ILE 16 Cb 0.32 -5.42 0.00 0.00 -0.71 0.00 0.00 39.64 33.83 1k5g n ILE 16 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1k5g n THR 17 N -0.69 0.00 -1.14 1.39 -2.24 -1.26 -4.89 114.28 105.45 1k5g n THR 17 Ca 0.04 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.53 1k5g n THR 17 Cb 0.30 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.71 1k5g n THR 17 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1k5g s THR 18 N -0.85 2.10 0.10 4.28 -1.32 -1.26 -4.94 115.64 113.76 1k5g s THR 18 Ca 0.00 0.03 -0.28 0.00 -1.21 0.00 0.00 61.69 60.24 1k5g s THR 18 Cb 0.00 -2.50 -0.10 0.00 -1.51 0.00 0.00 72.50 68.39 1k5g s THR 18 CO 0.00 -0.04 1.64 -0.08 -2.21 0.00 0.00 174.62 173.93 1k5g h GLU 19 N -1.92 -0.48 0.00 7.08 4.22 -2.00 -3.27 114.58 118.21 1k5g h GLU 19 Ca -0.55 0.03 -0.18 0.00 0.08 0.00 0.00 59.36 58.75 1k5g h GLU 19 Cb 1.33 0.11 0.09 0.00 0.50 0.00 0.00 28.75 30.77 1k5g h GLU 19 CO 0.57 -0.32 0.05 -0.25 -2.18 0.00 0.00 179.01 176.88 1k5g n ASP 20 N -5.37 -1.48 0.00 1.04 9.92 -1.26 -2.73 116.55 116.67 1k5g n ASP 20 Ca -0.07 -0.80 0.00 0.00 -0.53 0.00 0.00 54.79 53.38 1k5g n ASP 20 Cb 0.28 -0.45 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1k5g n ASP 20 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1k5g n GLU 21 N -2.99 0.00 0.08 -1.24 1.02 -1.26 -4.08 120.64 112.17 1k5g n GLU 21 Ca 0.07 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.10 1k5g n GLU 21 Cb 0.26 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.64 1k5g n GLU 21 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1k5g h LYS 22 N 0.00 0.24 -0.57 3.49 1.57 -1.59 -3.04 116.57 116.65 1k5g h LYS 22 Ca 0.00 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1k5g h LYS 22 Cb 0.00 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1k5g h LYS 22 CO 0.00 1.03 0.35 0.66 -0.57 0.00 0.00 179.45 180.91 1k5g h SER 23 N 0.12 0.68 -0.81 0.86 4.64 -1.66 -1.85 113.55 115.53 1k5g h SER 23 Ca -0.06 -0.03 0.08 0.00 -0.47 0.00 0.00 61.79 61.30 1k5g h SER 23 Cb 1.61 -0.17 -0.07 0.00 -0.31 0.00 0.00 62.40 63.46 1k5g h SER 23 CO 0.15 0.52 0.48 0.58 -0.87 0.00 0.00 176.83 177.69 1k5g h VAL 24 N 0.79 0.95 -1.00 0.95 2.07 -1.86 -1.29 116.25 116.87 1k5g h VAL 24 Ca 0.21 -0.28 -0.62 0.00 0.82 0.00 0.00 66.70 66.83 1k5g h VAL 24 Cb -0.03 0.05 -0.30 0.00 -1.52 0.00 0.00 31.29 29.50 1k5g h VAL 24 CO -0.04 0.15 0.78 0.49 0.02 0.00 0.00 177.57 178.97 1k5g n PHE 25 N -4.71 3.17 0.18 1.57 3.01 -0.72 -4.52 117.46 115.43 1k5g n PHE 25 Ca 0.13 -2.58 -0.12 0.00 1.01 0.00 0.00 57.45 55.89 1k5g n PHE 25 Cb 0.24 -1.26 -0.07 0.00 -0.01 0.00 0.00 39.48 38.38 1k5g n PHE 25 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1k5g h ALA 26 N 1.62 -0.50 -0.77 4.37 0.00 -0.99 -2.20 119.26 120.80 1k5g h ALA 26 Ca 0.62 -0.18 0.22 0.00 0.00 0.00 0.00 54.91 55.57 1k5g h ALA 26 Cb 1.60 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 1k5g h ALA 26 CO 1.40 -0.54 0.88 0.28 0.00 0.00 0.00 179.25 181.27 1k5g h VAL 27 N -0.97 0.16 0.01 0.00 2.07 -1.80 0.57 116.25 116.28 1k5g h VAL 27 Ca -0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1k5g h VAL 27 Cb 0.53 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1k5g h VAL 27 CO 0.08 0.00 -0.08 0.25 0.02 0.00 0.00 177.57 177.85 1k5g h LEU 28 N 0.00 0.05 -0.11 2.57 7.12 -1.79 -3.18 115.31 119.98 1k5g h LEU 28 Ca 0.36 -0.93 -0.00 0.00 0.13 0.00 0.00 57.88 57.44 1k5g h LEU 28 Cb 2.12 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 42.23 1k5g h LEU 28 CO -0.00 0.98 0.06 -0.07 -0.13 0.00 0.00 178.44 179.27 1k5g h LEU 29 N -0.87 0.13 0.11 2.25 3.38 0.71 -3.34 115.31 117.68 1k5g h LEU 29 Ca -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1k5g h LEU 29 Cb 1.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1k5g h LEU 29 CO 0.01 0.17 -0.05 1.05 0.09 0.00 0.00 178.44 179.72 1k5g h GLU 30 N 0.08 -0.14 -6.06 1.13 4.11 -1.42 -3.42 114.58 108.86 1k5g h GLU 30 Ca 0.04 0.01 -0.60 0.00 0.07 0.00 0.00 59.36 58.87 1k5g h GLU 30 Cb 0.07 0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.25 1k5g h GLU 30 CO -0.01 0.25 0.54 0.34 0.07 0.00 0.00 179.01 180.20 1k5g s ASP 31 N -5.44 6.54 0.01 3.06 -1.08 -1.20 -4.89 116.67 113.66 1k5g s ASP 31 Ca -0.15 0.23 0.24 0.00 -0.52 0.00 0.00 52.55 52.35 1k5g s ASP 31 Cb 0.02 -2.44 0.32 0.00 -1.46 0.00 0.00 42.92 39.36 1k5g s ASP 31 CO 0.61 -0.96 1.28 0.47 0.52 0.00 0.00 175.17 177.10 1k5g n ASP 32 N 6.95 0.61 -2.55 -0.34 8.00 -1.26 -4.31 116.55 123.65 1k5g n ASP 32 Ca 0.06 -0.35 -0.30 0.00 0.71 0.00 0.00 54.79 54.90 1k5g n ASP 32 Cb 0.48 0.43 -0.01 0.00 -0.02 0.00 0.00 41.12 42.00 1k5g n ASP 32 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1k5g n SER 33 N -1.58 6.83 -4.83 -2.24 2.88 -1.26 -4.31 113.62 109.11 1k5g n SER 33 Ca 0.05 -3.40 -0.38 0.00 -1.33 0.00 0.00 58.87 53.81 1k5g n SER 33 Cb 0.35 -1.16 -0.06 0.00 -0.75 0.00 0.00 64.21 62.59 1k5g n SER 33 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1k5g s VAL 34 N -3.17 4.93 -0.14 2.46 1.01 -1.26 -4.62 120.40 119.62 1k5g s VAL 34 Ca 0.55 0.96 0.11 0.00 0.00 0.00 0.00 61.98 63.60 1k5g s VAL 34 Cb 0.39 -3.77 -0.16 0.00 0.00 0.00 0.00 36.38 32.84 1k5g s VAL 34 CO -0.25 0.57 0.03 0.29 0.00 0.00 0.00 175.10 175.75 1k5g n LYS 35 N 1.78 1.70 -4.20 2.72 5.02 0.16 -2.09 118.16 123.24 1k5g n LYS 35 Ca -0.13 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 55.96 1k5g n LYS 35 Cb 0.52 -1.34 -0.16 0.00 -0.02 0.00 0.00 35.03 34.02 1k5g n LYS 35 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1k5g s GLU 36 N -2.33 0.86 -0.11 1.97 2.12 -1.00 0.11 118.70 120.33 1k5g s GLU 36 Ca -0.08 -0.13 0.04 0.00 0.36 0.00 0.00 54.97 55.16 1k5g s GLU 36 Cb 0.04 -0.85 0.00 0.00 0.26 0.00 0.00 34.13 33.58 1k5g s GLU 36 CO 0.54 -0.06 -0.23 0.42 -0.54 0.00 0.00 175.26 175.38 1k5g s ILE 37 N 0.84 2.08 -0.14 -3.70 1.01 -0.36 -0.98 121.20 119.95 1k5g s ILE 37 Ca -0.12 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.54 1k5g s ILE 37 Cb -0.14 -1.80 0.02 0.00 0.01 0.00 0.00 42.46 40.55 1k5g s ILE 37 CO 0.01 0.56 -0.18 -0.69 0.00 0.00 0.00 174.94 174.64 1k5g s VAL 38 N 0.43 1.78 -0.33 2.92 1.01 0.14 -0.82 120.40 125.53 1k5g s VAL 38 Ca -0.17 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.07 1k5g s VAL 38 Cb -0.17 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1k5g s VAL 38 CO 0.07 0.50 0.33 0.18 0.00 0.00 0.00 175.10 176.18 1k5g n LEU 39 N 4.40 0.59 -4.32 3.92 4.77 -0.57 -2.20 117.00 123.60 1k5g n LEU 39 Ca -0.19 -0.66 -0.42 0.00 -0.03 0.00 0.00 56.01 54.71 1k5g n LEU 39 Cb 0.51 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1k5g n LEU 39 CO 0.24 0.13 -0.36 -1.20 -1.33 0.00 0.00 177.39 174.87 1k5g n SER 40 N -0.65 -2.59 -0.18 -1.43 7.64 -1.24 -3.65 113.62 111.51 1k5g n SER 40 Ca 0.01 0.83 -0.01 0.00 1.01 0.00 0.00 58.87 60.71 1k5g n SER 40 Cb 0.08 -0.91 -0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1k5g n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k5g n GLY 41 N 2.26 0.35 3.32 0.23 0.00 0.21 -2.08 105.19 109.47 1k5g n GLY 41 Ca 0.11 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 1k5g n GLY 41 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k5g s ASN 42 N -2.94 0.02 -0.37 1.61 0.01 -1.24 -1.69 114.94 110.34 1k5g s ASN 42 Ca 0.00 -0.76 -0.06 0.00 -0.71 0.00 0.00 52.86 51.33 1k5g s ASN 42 Cb -0.00 0.43 0.07 0.00 0.41 0.00 0.00 41.25 42.15 1k5g s ASN 42 CO 0.00 -0.86 0.16 0.42 -1.51 0.00 0.00 177.10 175.31 1k5g s THR 43 N -3.93 3.75 -0.26 1.60 -4.23 -0.46 -3.44 115.64 108.68 1k5g s THR 43 Ca 0.13 -1.42 -0.18 0.00 -1.18 0.00 0.00 61.69 59.04 1k5g s THR 43 Cb 0.03 -3.27 -0.03 0.00 1.34 0.00 0.00 72.50 70.58 1k5g s THR 43 CO -0.03 -0.38 0.50 -0.63 -0.54 0.00 0.00 174.62 173.54 1k5g s ILE 44 N 1.35 5.08 0.82 2.99 1.01 0.09 -1.57 121.20 130.97 1k5g s ILE 44 Ca 0.01 0.85 -0.11 0.00 0.00 0.00 0.00 60.65 61.40 1k5g s ILE 44 Cb -0.21 -3.81 0.11 0.00 0.01 0.00 0.00 42.46 38.55 1k5g s ILE 44 CO 0.01 0.10 1.18 -0.83 0.00 0.00 0.00 174.94 175.39 1k5g s GLY 45 N 1.53 1.66 0.13 6.18 0.00 -0.13 -4.82 107.32 111.88 1k5g s GLY 45 Ca 0.21 -0.88 -0.15 0.00 0.00 0.00 0.00 44.72 43.89 1k5g s GLY 45 CO 0.09 -0.34 1.66 -0.91 0.00 0.00 0.00 173.10 173.60 1k5g h THR 46 N -1.09 1.22 -0.14 0.90 1.35 -1.81 0.17 112.91 113.50 1k5g h THR 46 Ca -0.45 -0.71 0.04 0.00 -0.55 0.00 0.00 66.41 64.74 1k5g h THR 46 Cb 1.30 0.89 -0.04 0.00 -1.73 0.00 0.00 68.15 68.56 1k5g h THR 46 CO 0.57 0.25 -0.13 -0.33 -0.25 0.00 0.00 175.52 175.64 1k5g h GLU 47 N 0.54 -0.14 -0.23 4.72 4.39 -1.90 0.34 114.58 122.30 1k5g h GLU 47 Ca 0.14 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.78 1k5g h GLU 47 Cb 0.25 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1k5g h GLU 47 CO -0.01 -0.10 -0.14 0.00 -1.16 0.00 0.00 179.01 177.61 1k5g h ALA 48 N 0.93 1.33 -0.91 3.43 0.00 -1.23 -1.68 119.26 121.15 1k5g h ALA 48 Ca 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1k5g h ALA 48 Cb 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1k5g h ALA 48 CO -0.23 0.45 0.54 0.00 0.00 0.00 0.00 179.25 180.02 1k5g h ALA 49 N 1.50 1.16 0.43 0.00 0.00 0.12 0.33 119.26 122.79 1k5g h ALA 49 Ca 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1k5g h ALA 49 Cb 0.47 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1k5g h ALA 49 CO 0.03 0.62 -0.20 -0.09 0.00 0.00 0.00 179.25 179.60 1k5g h ARG 50 N 1.25 -0.55 -0.44 0.00 2.43 0.46 -0.67 114.38 116.86 1k5g h ARG 50 Ca 0.33 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.58 1k5g h ARG 50 Cb -0.05 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1k5g h ARG 50 CO -0.06 -0.36 0.29 2.35 -1.51 0.00 0.00 179.97 180.68 1k5g h TRP 51 N -0.58 0.40 0.00 2.20 7.01 -0.98 -1.06 115.95 122.93 1k5g h TRP 51 Ca -0.06 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 60.95 1k5g h TRP 51 Cb 0.44 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.37 1k5g h TRP 51 CO -0.04 0.22 -0.11 -0.07 -2.79 0.00 0.00 178.44 175.65 1k5g h LEU 52 N 0.40 0.00 -0.03 0.65 3.38 -0.64 -3.07 115.31 116.01 1k5g h LEU 52 Ca 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1k5g h LEU 52 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1k5g h LEU 52 CO -0.04 0.01 -0.04 0.28 0.09 0.00 0.00 178.44 178.73 1k5g h SER 53 N 0.00 0.10 -0.93 -0.43 0.02 0.20 -2.41 113.55 110.10 1k5g h SER 53 Ca -0.00 -0.52 0.07 0.00 -0.84 0.00 0.00 61.79 60.50 1k5g h SER 53 Cb 1.01 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.46 1k5g h SER 53 CO 0.00 0.59 0.59 -0.33 -1.14 0.00 0.00 176.83 176.54 1k5g h GLU 54 N -0.40 1.02 -0.14 3.45 5.08 -1.54 -1.54 114.58 120.52 1k5g h GLU 54 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1k5g h GLU 54 Cb 0.57 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1k5g h GLU 54 CO 0.01 0.68 0.00 0.09 -1.00 0.00 0.00 179.01 178.79 1k5g n ASN 55 N -4.57 0.92 -0.06 1.42 3.02 -1.16 -3.77 115.26 111.05 1k5g n ASN 55 Ca 0.14 -1.79 -0.07 0.00 -0.03 0.00 0.00 54.58 52.83 1k5g n ASN 55 Cb 0.20 -0.09 -0.07 0.00 -0.61 0.00 0.00 39.78 39.21 1k5g n ASN 55 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1k5g n ILE 56 N -0.09 0.73 -0.24 2.41 5.41 -0.62 -4.51 119.36 122.46 1k5g n ILE 56 Ca 0.10 -0.37 0.07 0.00 1.00 0.00 0.00 62.75 63.56 1k5g n ILE 56 Cb 0.18 -0.84 0.33 0.00 -0.71 0.00 0.00 39.64 38.59 1k5g n ILE 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k5g h ALA 57 N 0.27 1.68 -0.09 -1.39 0.00 -1.55 -0.89 119.26 117.28 1k5g h ALA 57 Ca -0.29 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1k5g h ALA 57 Cb 1.55 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1k5g h ALA 57 CO -0.01 0.16 -0.03 0.66 0.00 0.00 0.00 179.25 180.02 1k5g h SER 58 N 0.82 0.12 -0.79 0.00 4.64 -1.79 -3.36 113.55 113.18 1k5g h SER 58 Ca 0.37 -0.01 -0.55 0.00 -0.47 0.00 0.00 61.79 61.13 1k5g h SER 58 Cb 0.37 -0.03 -0.07 0.00 -0.31 0.00 0.00 62.40 62.36 1k5g h SER 58 CO -0.15 0.18 1.71 -0.54 -0.87 0.00 0.00 176.83 177.16 1k5g s LYS 59 N -4.96 3.45 0.05 4.77 -0.14 -0.34 -4.74 119.74 117.84 1k5g s LYS 59 Ca -0.05 -1.53 0.23 0.00 -1.36 0.00 0.00 55.97 53.25 1k5g s LYS 59 Cb 0.16 -5.40 0.93 0.00 -1.68 0.00 0.00 37.83 31.84 1k5g s LYS 59 CO 0.70 -2.76 1.71 1.63 -0.76 0.00 0.00 175.35 175.87 1k5g n LYS 60 N 8.48 0.05 -0.32 1.68 4.76 -1.26 -2.78 118.16 128.77 1k5g n LYS 60 Ca 0.45 0.16 0.10 0.00 -2.87 0.00 0.00 58.31 56.15 1k5g n LYS 60 Cb 0.47 -1.57 0.28 0.00 -1.84 0.00 0.00 35.03 32.38 1k5g n LYS 60 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1k5g n ASP 61 N -1.65 3.44 -4.71 4.39 8.00 -1.26 -4.31 116.55 120.45 1k5g n ASP 61 Ca 0.05 -2.00 -0.43 0.00 0.71 0.00 0.00 54.79 53.12 1k5g n ASP 61 Cb 0.27 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 40.93 1k5g n ASP 61 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1k5g n LEU 62 N 1.39 3.73 0.00 0.64 7.94 -0.89 -4.27 117.00 125.54 1k5g n LEU 62 Ca 0.21 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.26 1k5g n LEU 62 Cb 0.54 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.98 1k5g n LEU 62 CO 0.15 -0.17 -0.46 -0.62 -1.11 0.00 0.00 177.39 175.18 1k5g n GLU 63 N 2.07 2.79 -4.34 1.96 1.02 0.31 -2.02 120.64 122.44 1k5g n GLU 63 Ca 0.10 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.04 1k5g n GLU 63 Cb 0.34 -0.96 -0.16 0.00 -0.02 0.00 0.00 31.44 30.65 1k5g n GLU 63 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1k5g s ILE 64 N -1.91 0.72 -0.29 -3.67 1.01 0.55 -2.40 121.20 115.22 1k5g s ILE 64 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.37 1k5g s ILE 64 Cb 0.00 -0.66 0.08 0.00 0.01 0.00 0.00 42.46 41.89 1k5g s ILE 64 CO 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 174.94 175.16 1k5g s ALA 65 N 0.36 2.42 -0.82 9.38 0.00 -0.48 -1.22 121.76 131.41 1k5g s ALA 65 Ca -0.05 -1.93 -0.16 0.00 0.00 0.00 0.00 51.96 49.81 1k5g s ALA 65 Cb -0.10 -1.69 0.17 0.00 0.00 0.00 0.00 23.12 21.50 1k5g s ALA 65 CO 0.01 -1.42 0.87 -2.00 0.00 0.00 0.00 175.76 173.22 1k5g s GLU 66 N 1.16 3.50 -0.07 0.00 -6.30 -0.00 -0.14 118.70 116.84 1k5g s GLU 66 Ca 0.01 -2.02 0.15 0.00 -2.50 0.00 0.00 54.97 50.61 1k5g s GLU 66 Cb -0.19 -4.57 0.51 0.00 0.00 0.00 0.00 34.13 29.89 1k5g s GLU 66 CO -0.08 -1.50 1.43 1.19 0.02 0.00 0.00 175.26 176.32 1k5g n PHE 67 N 5.27 0.93 -1.80 5.30 0.99 0.11 -1.51 117.46 126.74 1k5g n PHE 67 Ca 0.13 -0.62 -0.38 0.00 -0.00 0.00 0.00 57.45 56.57 1k5g n PHE 67 Cb 0.47 -0.16 0.04 0.00 -1.00 0.00 0.00 39.48 38.83 1k5g n PHE 67 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1k5g s SER 68 N -1.18 5.31 -0.31 4.37 0.01 -0.77 -4.06 113.70 117.07 1k5g s SER 68 Ca 0.38 2.75 -0.21 0.00 1.31 0.00 0.00 55.95 60.18 1k5g s SER 68 Cb 0.25 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.87 1k5g s SER 68 CO 0.18 -1.54 0.40 -0.67 0.41 0.00 0.00 173.24 172.03 1k5g n ASP 69 N -0.99 -6.43 0.00 2.44 2.03 0.41 -3.80 116.55 110.21 1k5g n ASP 69 Ca 0.10 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1k5g n ASP 69 Cb 0.45 -2.57 0.00 0.00 -0.72 0.00 0.00 41.12 38.28 1k5g n ASP 69 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1k5g n ILE 70 N 0.30 0.00 -0.23 5.18 -5.35 -1.25 -0.62 119.36 117.39 1k5g n ILE 70 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1k5g n ILE 70 Cb 0.53 1.52 0.00 0.00 -1.74 0.00 0.00 39.64 39.96 1k5g n ILE 70 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1k5g n PHE 71 N 0.00 0.00 -1.34 4.28 0.99 -1.22 -0.73 117.46 119.44 1k5g n PHE 71 Ca 0.00 -0.04 -0.54 0.00 -0.00 0.00 0.00 57.45 56.87 1k5g n PHE 71 Cb 0.31 -0.00 -0.13 0.00 -1.00 0.00 0.00 39.48 38.66 1k5g n PHE 71 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1k5g n THR 72 N -0.04 0.00 0.00 4.37 -2.24 -1.26 -0.09 114.28 115.02 1k5g n THR 72 Ca 0.00 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1k5g n THR 72 Cb 0.09 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 1k5g n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k5g n GLY 73 N 7.15 1.73 3.75 3.38 0.00 -1.26 -4.75 105.19 115.19 1k5g n GLY 73 Ca 0.58 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.20 1k5g n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k5g s ARG 74 N -0.21 4.53 0.60 1.61 1.81 0.87 -5.07 118.95 123.10 1k5g s ARG 74 Ca 0.00 1.13 -0.03 0.00 -1.72 0.00 0.00 55.73 55.10 1k5g s ARG 74 Cb 0.00 -3.34 0.03 0.00 -0.45 0.00 0.00 34.95 31.19 1k5g s ARG 74 CO 0.00 0.35 0.88 0.14 -0.68 0.00 0.00 175.30 175.99 1k5g s VAL 75 N -0.32 2.93 0.53 3.52 -7.23 -1.26 -4.82 120.40 113.76 1k5g s VAL 75 Ca 0.39 -0.34 0.30 0.00 -1.81 0.00 0.00 61.98 60.52 1k5g s VAL 75 Cb -0.21 -3.17 0.47 0.00 0.56 0.00 0.00 36.38 34.03 1k5g s VAL 75 CO 0.24 -0.15 1.90 0.07 -0.31 0.00 0.00 175.10 176.85 1k5g h LYS 76 N -0.19 0.01 -0.35 4.82 2.10 -1.97 0.25 116.57 121.25 1k5g h LYS 76 Ca -0.44 -0.00 0.10 0.00 -2.00 0.00 0.00 60.65 58.31 1k5g h LYS 76 Cb 1.29 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.60 1k5g h LYS 76 CO 0.58 0.01 0.26 0.22 -2.00 0.00 0.00 179.45 178.52 1k5g h ASP 77 N 0.01 0.00 0.00 7.07 -0.00 -1.98 -3.37 116.42 118.16 1k5g h ASP 77 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.44 1k5g h ASP 77 Cb 1.62 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.95 1k5g h ASP 77 CO -0.01 0.00 -0.52 -1.84 -0.00 0.00 0.00 179.24 176.87 1k5g n GLU 78 N -4.34 2.85 0.23 0.28 0.28 0.83 -4.86 120.64 115.92 1k5g n GLU 78 Ca 0.05 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.90 1k5g n GLU 78 Cb 0.44 -0.76 -0.08 0.00 1.43 0.00 0.00 31.44 32.46 1k5g n GLU 78 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1k5g h ILE 79 N 0.00 0.59 -0.83 3.84 2.04 -1.61 -2.77 117.51 118.78 1k5g h ILE 79 Ca 0.00 -0.21 0.21 0.00 1.00 0.00 0.00 64.86 65.85 1k5g h ILE 79 Cb 0.01 0.70 -0.13 0.00 -0.74 0.00 0.00 36.82 36.65 1k5g h ILE 79 CO 0.00 0.04 0.19 -0.65 0.00 0.00 0.00 178.15 177.73 1k5g h PRO 80 N -0.68 0.21 0.56 2.37 0.11 -1.85 0.63 132.00 133.35 1k5g h PRO 80 Ca -0.06 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 1k5g h PRO 80 Cb 0.49 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 31.56 1k5g h PRO 80 CO 0.09 0.14 -0.27 1.49 -0.21 0.00 0.00 178.00 179.25 1k5g h GLU 81 N 0.22 -0.72 -0.73 1.05 4.22 -1.88 -0.85 114.58 115.89 1k5g h GLU 81 Ca 0.50 0.05 0.16 0.00 0.08 0.00 0.00 59.36 60.15 1k5g h GLU 81 Cb 0.95 0.16 -0.12 0.00 0.50 0.00 0.00 28.75 30.25 1k5g h GLU 81 CO -0.62 -0.48 0.11 0.00 -2.18 0.00 0.00 179.01 175.84 1k5g h ALA 82 N -1.65 0.87 -0.48 2.92 0.00 -1.02 0.14 119.26 120.04 1k5g h ALA 82 Ca -0.08 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1k5g h ALA 82 Cb 0.57 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1k5g h ALA 82 CO 0.13 -0.38 0.28 1.25 0.00 0.00 0.00 179.25 180.53 1k5g h LEU 83 N 0.20 0.45 0.10 0.00 5.85 0.32 -2.43 115.31 119.80 1k5g h LEU 83 Ca 0.41 0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.15 1k5g h LEU 83 Cb 0.70 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1k5g h LEU 83 CO -0.56 0.32 -0.36 -0.09 -0.34 0.00 0.00 178.44 177.41 1k5g h ARG 84 N 0.56 -0.56 -0.23 1.25 1.12 0.72 -0.32 114.38 116.92 1k5g h ARG 84 Ca 0.20 0.04 0.06 0.00 -1.11 0.00 0.00 59.98 59.16 1k5g h ARG 84 Cb 0.03 0.13 -0.07 0.00 -0.01 0.00 0.00 29.97 30.05 1k5g h ARG 84 CO -0.10 -0.37 -0.26 -0.07 -3.11 0.00 0.00 179.97 176.06 1k5g h LEU 85 N -0.58 -0.84 0.67 3.80 3.38 -0.90 0.16 115.31 121.00 1k5g h LEU 85 Ca 0.03 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1k5g h LEU 85 Cb 0.62 0.39 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1k5g h LEU 85 CO -0.23 -0.30 -0.47 -0.07 0.09 0.00 0.00 178.44 177.46 1k5g h LEU 86 N -0.28 -1.22 -2.01 1.67 3.38 -1.10 -1.05 115.31 114.70 1k5g h LEU 86 Ca 0.13 0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.30 1k5g h LEU 86 Cb 0.48 0.37 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1k5g h LEU 86 CO -0.39 -0.70 0.42 -0.07 0.09 0.00 0.00 178.44 177.79 1k5g h LEU 87 N -1.09 0.00 -0.29 1.67 3.38 -0.84 0.28 115.31 118.41 1k5g h LEU 87 Ca -0.09 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1k5g h LEU 87 Cb 0.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1k5g h LEU 87 CO 0.05 0.00 0.00 -0.61 0.09 0.00 0.00 178.44 177.97 1k5g h GLN 88 N 0.00 0.52 0.36 1.13 4.15 0.57 -2.66 115.11 119.18 1k5g h GLN 88 Ca 0.19 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 1k5g h GLN 88 Cb 1.02 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.67 1k5g h GLN 88 CO -0.00 0.67 -0.17 0.00 -1.93 0.00 0.00 178.83 177.39 1k5g h ALA 89 N 0.83 -0.48 -0.98 3.38 0.00 0.34 -3.17 119.26 119.19 1k5g h ALA 89 Ca 0.08 -0.19 0.33 0.00 0.00 0.00 0.00 54.91 55.14 1k5g h ALA 89 Cb 0.43 0.19 -0.17 0.00 0.00 0.00 0.00 17.79 18.24 1k5g h ALA 89 CO 0.02 -0.58 0.40 -0.07 0.00 0.00 0.00 179.25 179.02 1k5g h LEU 90 N -0.87 0.17 -1.96 0.00 3.38 -1.24 0.72 115.31 115.51 1k5g h LEU 90 Ca -0.05 0.23 0.26 0.00 0.09 0.00 0.00 57.88 58.42 1k5g h LEU 90 Cb 0.53 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 1k5g h LEU 90 CO 0.08 -0.29 0.69 -0.07 0.09 0.00 0.00 178.44 178.95 1k5g h LEU 91 N 0.13 0.00 -3.20 1.67 3.38 -1.44 -0.34 115.31 115.51 1k5g h LEU 91 Ca 0.72 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 58.38 1k5g h LEU 91 Cb 1.70 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 42.27 1k5g h LEU 91 CO -0.73 0.00 0.40 0.29 0.09 0.00 0.00 178.44 178.48 1k5g n LYS 92 N -4.11 1.75 -3.93 1.13 5.02 0.25 -4.78 118.16 113.50 1k5g n LYS 92 Ca 0.19 -1.76 -0.31 0.00 -2.02 0.00 0.00 58.31 54.41 1k5g n LYS 92 Cb 1.01 -1.69 -0.15 0.00 -0.02 0.00 0.00 35.03 34.18 1k5g n LYS 92 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k5g h PRO 94 N 7.73 0.25 -0.32 0.00 0.11 -1.86 -2.74 132.00 135.17 1k5g h PRO 94 Ca -0.07 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1k5g h PRO 94 Cb 1.01 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1k5g h PRO 94 CO 0.51 0.17 0.00 1.63 -0.21 0.00 0.00 178.00 180.10 1k5g n LYS 95 N -4.45 2.26 -2.06 1.05 5.02 -1.26 -4.76 118.16 113.98 1k5g n LYS 95 Ca 0.21 -2.08 -0.39 0.00 -2.02 0.00 0.00 58.31 54.03 1k5g n LYS 95 Cb 0.85 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 34.40 1k5g n LYS 95 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1k5g s LEU 96 N -1.32 3.32 -0.04 -0.35 2.96 -0.86 -4.38 118.68 118.01 1k5g s LEU 96 Ca 0.32 0.46 0.21 0.00 -0.22 0.00 0.00 54.13 54.90 1k5g s LEU 96 Cb 0.19 -2.69 -0.31 0.00 0.50 0.00 0.00 46.19 43.89 1k5g s LEU 96 CO 0.26 -2.25 0.45 0.00 -1.32 0.00 0.00 176.35 173.49 1k5g n HIS 97 N 12.25 0.07 -4.02 5.38 1.44 -1.01 -3.51 115.22 125.82 1k5g n HIS 97 Ca 0.20 0.02 -0.28 0.00 -2.01 0.00 0.00 57.72 55.66 1k5g n HIS 97 Cb 0.51 -0.61 -0.17 0.00 0.12 0.00 0.00 29.99 29.84 1k5g n HIS 97 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1k5g s THR 98 N -3.34 1.20 -0.04 0.61 2.01 -1.01 0.94 115.64 116.01 1k5g s THR 98 Ca -0.08 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.53 1k5g s THR 98 Cb 0.12 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.47 1k5g s THR 98 CO 0.89 0.39 -0.10 0.54 -0.69 0.00 0.00 174.62 175.66 1k5g s VAL 99 N 1.53 0.89 -0.17 3.82 0.11 -0.82 -1.38 120.40 124.37 1k5g s VAL 99 Ca 0.03 -0.37 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 1k5g s VAL 99 Cb -0.13 -0.81 0.02 0.00 -1.53 0.00 0.00 36.38 33.93 1k5g s VAL 99 CO -0.08 0.29 -0.18 -0.13 -3.33 0.00 0.00 175.10 171.67 1k5g s ARG 100 N 0.48 2.77 -0.08 1.54 0.52 0.81 -2.15 118.95 122.84 1k5g s ARG 100 Ca -0.09 -0.75 0.11 0.00 -0.52 0.00 0.00 55.73 54.49 1k5g s ARG 100 Cb -0.12 -2.42 0.20 0.00 0.52 0.00 0.00 34.95 33.12 1k5g s ARG 100 CO 0.02 -0.21 1.12 1.28 0.02 0.00 0.00 175.30 177.52 1k5g n LEU 101 N 4.65 2.37 -4.68 2.53 4.77 0.35 0.04 117.00 127.04 1k5g n LEU 101 Ca -0.20 -2.60 -0.31 0.00 -0.03 0.00 0.00 56.01 52.87 1k5g n LEU 101 Cb 0.50 -0.26 0.16 0.00 -2.33 0.00 0.00 43.42 41.49 1k5g n LEU 101 CO 0.25 0.63 0.68 -0.44 -1.33 0.00 0.00 177.39 177.17 1k5g s SER 102 N -1.97 3.07 -1.23 -1.43 0.01 -1.08 -4.13 113.70 106.93 1k5g s SER 102 Ca 0.20 2.10 -0.07 0.00 1.31 0.00 0.00 55.95 59.49 1k5g s SER 102 Cb 0.17 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.86 1k5g s SER 102 CO 0.03 -3.00 1.07 0.47 0.41 0.00 0.00 173.24 172.22 1k5g n ASP 103 N -4.16 -5.39 -3.86 2.44 8.00 -0.16 -0.44 116.55 112.98 1k5g n ASP 103 Ca 0.11 -0.51 -0.16 0.00 0.71 0.00 0.00 54.79 54.94 1k5g n ASP 103 Cb 0.52 -4.69 -0.15 0.00 -0.02 0.00 0.00 41.12 36.78 1k5g n ASP 103 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1k5g s ASN 104 N -3.45 0.40 -0.39 -2.24 0.01 -1.17 -3.38 114.94 104.72 1k5g s ASN 104 Ca 0.45 -0.04 -0.28 0.00 -0.71 0.00 0.00 52.86 52.28 1k5g s ASN 104 Cb -0.20 -0.16 -0.02 0.00 0.41 0.00 0.00 41.25 41.28 1k5g s ASN 104 CO 0.67 -0.04 1.86 0.00 -1.51 0.00 0.00 177.10 178.07 1k5g s ALA 105 N 0.58 2.66 0.00 0.60 0.00 -1.26 -4.25 121.76 120.09 1k5g s ALA 105 Ca -0.06 0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1k5g s ALA 105 Cb -0.09 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 18.94 1k5g s ALA 105 CO -0.01 -2.98 0.00 1.19 0.00 0.00 0.00 175.76 173.96 1k5g n PHE 106 N 11.10 0.00 -2.71 0.00 3.72 -0.49 -4.96 117.46 124.12 1k5g n PHE 106 Ca 0.23 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.65 1k5g n PHE 106 Cb 0.48 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1k5g n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1k5g n GLY 107 N 3.44 -0.66 0.22 1.37 0.00 -0.90 -2.90 105.19 105.76 1k5g n GLY 107 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1k5g n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1k5g h PRO 108 N 0.00 0.12 0.00 1.61 0.11 -1.79 -2.07 132.00 129.98 1k5g h PRO 108 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1k5g h PRO 108 Cb 0.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1k5g h PRO 108 CO 0.00 0.08 0.03 -2.37 -0.21 0.00 0.00 178.00 175.53 1k5g n THR 109 N -5.26 0.24 -2.13 -1.15 5.66 -1.23 -1.36 114.28 109.05 1k5g n THR 109 Ca 0.08 0.09 -0.00 0.00 -3.05 0.00 0.00 64.05 61.17 1k5g n THR 109 Cb 0.33 -1.09 -0.01 0.00 -1.55 0.00 0.00 70.33 68.01 1k5g n THR 109 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1k5g n ALA 110 N -0.92 2.41 0.28 1.79 0.00 -0.78 -4.72 120.51 118.56 1k5g n ALA 110 Ca 0.00 -1.08 0.15 0.00 0.00 0.00 0.00 53.44 52.52 1k5g n ALA 110 Cb 0.03 -0.42 0.50 0.00 0.00 0.00 0.00 19.45 19.56 1k5g n ALA 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1k5g h GLN 111 N 0.26 0.00 0.31 0.00 3.07 -1.16 -3.36 115.11 114.23 1k5g h GLN 111 Ca -0.16 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.57 1k5g h GLN 111 Cb 1.44 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.98 1k5g h GLN 111 CO -0.02 0.00 -0.40 0.93 0.09 0.00 0.00 178.83 179.42 1k5g h GLU 112 N 0.00 -0.71 -0.66 0.06 4.39 -1.91 0.18 114.58 115.94 1k5g h GLU 112 Ca 0.00 0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.84 1k5g h GLU 112 Cb 0.67 0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 29.40 1k5g h GLU 112 CO 0.00 -0.47 0.29 -1.35 -1.16 0.00 0.00 179.01 176.32 1k5g h PRO 113 N -0.73 0.48 0.31 2.33 0.11 -1.90 -0.06 132.00 132.54 1k5g h PRO 113 Ca -0.04 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 1k5g h PRO 113 Cb 0.66 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 1k5g h PRO 113 CO -0.10 0.32 -0.27 -0.07 -0.21 0.00 0.00 178.00 177.67 1k5g h LEU 114 N 0.50 -0.72 -0.98 2.35 4.07 -1.67 0.01 115.31 118.86 1k5g h LEU 114 Ca 0.33 0.06 0.08 0.00 0.08 0.00 0.00 57.88 58.43 1k5g h LEU 114 Cb 0.39 0.24 -0.07 0.00 1.08 0.00 0.00 40.66 42.30 1k5g h LEU 114 CO -0.29 -0.40 0.63 0.40 -1.08 0.00 0.00 178.44 177.69 1k5g h ILE 115 N -0.60 1.04 0.00 1.22 2.04 -0.20 -0.20 117.51 120.81 1k5g h ILE 115 Ca -0.02 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1k5g h ILE 115 Cb 0.54 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1k5g h ILE 115 CO -0.03 0.20 0.00 -0.67 0.00 0.00 0.00 178.15 177.65 1k5g n ASP 116 N -4.55 0.00 -0.26 1.72 4.64 -0.07 -3.29 116.55 114.74 1k5g n ASP 116 Ca 0.16 0.36 -0.07 0.00 -1.38 0.00 0.00 54.79 53.86 1k5g n ASP 116 Cb 0.23 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.25 1k5g n ASP 116 CO 0.00 0.00 0.00 0.33 -0.82 0.00 0.00 177.20 176.71 1k5g n PHE 117 N -0.45 -0.27 -0.07 -0.67 7.35 -0.05 -0.65 117.46 122.65 1k5g n PHE 117 Ca 0.00 0.77 0.19 0.00 -0.76 0.00 0.00 57.45 57.65 1k5g n PHE 117 Cb 0.00 -0.54 0.62 0.00 0.35 0.00 0.00 39.48 39.91 1k5g n PHE 117 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1k5g h LEU 118 N 0.00 0.15 -0.10 -2.13 3.38 -1.17 -0.47 115.31 114.97 1k5g h LEU 118 Ca 0.10 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 1k5g h LEU 118 Cb 0.25 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1k5g h LEU 118 CO -0.58 0.08 -0.84 0.77 0.09 0.00 0.00 178.44 177.96 1k5g h SER 119 N 0.16 0.00 0.01 -0.43 4.64 -0.87 -3.40 113.55 113.66 1k5g h SER 119 Ca 0.31 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.31 1k5g h SER 119 Cb 0.98 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.03 1k5g h SER 119 CO -0.05 0.84 -1.75 0.29 -0.87 0.00 0.00 176.83 175.30 1k5g n LYS 120 N -3.37 0.59 -1.42 4.77 5.02 -0.33 -2.90 118.16 120.53 1k5g n LYS 120 Ca 0.00 0.45 -0.11 0.00 -2.02 0.00 0.00 58.31 56.63 1k5g n LYS 120 Cb 0.86 -1.66 -0.09 0.00 -0.02 0.00 0.00 35.03 34.12 1k5g n LYS 120 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1k5g n HIS 121 N -4.28 0.63 0.24 2.13 -0.00 -0.36 -4.77 115.22 108.81 1k5g n HIS 121 Ca -0.40 -0.08 0.06 0.00 0.46 0.00 0.00 57.72 57.76 1k5g n HIS 121 Cb 0.78 -1.89 0.56 0.00 -0.12 0.00 0.00 29.99 29.31 1k5g n HIS 121 CO 0.00 0.00 0.00 1.79 0.46 0.00 0.00 176.34 178.59 1k5g h THR 122 N 6.95 1.06 0.00 3.57 1.35 -1.90 -2.68 112.91 121.26 1k5g h THR 122 Ca 0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1k5g h THR 122 Cb 1.01 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1k5g h THR 122 CO 1.05 0.13 0.00 -0.65 -0.25 0.00 0.00 175.52 175.79 1k5g h PRO 123 N 0.00 0.00 -6.39 4.72 0.11 -1.86 -3.43 132.00 125.15 1k5g h PRO 123 Ca -0.00 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.49 1k5g h PRO 123 Cb 0.23 0.00 0.04 0.00 0.11 0.00 0.00 31.00 31.39 1k5g h PRO 123 CO 0.02 0.00 0.83 -0.11 -0.21 0.00 0.00 178.00 178.52 1k5g n LEU 124 N -2.78 2.91 0.00 2.35 7.94 -1.01 -4.11 117.00 122.30 1k5g n LEU 124 Ca -0.02 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.94 1k5g n LEU 124 Cb 0.10 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 42.69 1k5g n LEU 124 CO 0.18 -0.36 -0.39 -0.62 -1.11 0.00 0.00 177.39 175.09 1k5g n GLU 125 N 4.22 1.28 -3.92 1.96 1.02 0.27 -4.38 120.64 121.09 1k5g n GLU 125 Ca 0.19 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.03 1k5g n GLU 125 Cb 0.26 -0.89 -0.16 0.00 -0.02 0.00 0.00 31.44 30.63 1k5g n GLU 125 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1k5g s HIS 126 N -1.78 2.20 -0.24 -0.32 3.76 0.71 0.44 115.29 120.06 1k5g s HIS 126 Ca 0.00 -1.60 -0.06 0.00 -0.15 0.00 0.00 55.06 53.25 1k5g s HIS 126 Cb 0.00 -1.50 -0.02 0.00 1.11 0.00 0.00 32.58 32.17 1k5g s HIS 126 CO 0.00 -0.74 0.03 -1.17 -0.85 0.00 0.00 174.74 172.00 1k5g s LEU 127 N 1.46 3.24 -0.68 0.89 2.96 0.13 -1.95 118.68 124.74 1k5g s LEU 127 Ca -0.05 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 1k5g s LEU 127 Cb -0.18 -1.85 0.17 0.00 0.50 0.00 0.00 46.19 44.83 1k5g s LEU 127 CO -0.07 -0.03 0.51 -0.31 -1.32 0.00 0.00 176.35 175.13 1k5g s TYR 128 N 1.56 3.48 -0.77 5.38 1.51 -0.92 -1.03 117.35 126.57 1k5g s TYR 128 Ca 0.06 -2.69 0.03 0.00 -1.01 0.00 0.00 57.07 53.46 1k5g s TYR 128 Cb -0.15 -3.26 0.19 0.00 -0.11 0.00 0.00 41.96 38.63 1k5g s TYR 128 CO 0.01 -0.84 0.59 -1.17 -1.11 0.00 0.00 175.55 173.03 1k5g s LEU 129 N -0.21 5.07 -0.07 -1.29 2.96 -0.20 -0.50 118.68 124.45 1k5g s LEU 129 Ca 0.18 -3.80 0.05 0.00 -0.22 0.00 0.00 54.13 50.34 1k5g s LEU 129 Cb -0.18 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 1k5g s LEU 129 CO -0.05 -0.12 -0.24 -2.28 -1.32 0.00 0.00 176.35 172.35 1k5g s HIS 130 N -1.41 2.39 -0.66 5.38 2.46 -1.19 -3.55 115.29 118.70 1k5g s HIS 130 Ca 0.26 -0.80 -0.06 0.00 0.47 0.00 0.00 55.06 54.92 1k5g s HIS 130 Cb -0.06 -1.58 0.01 0.00 -0.13 0.00 0.00 32.58 30.82 1k5g s HIS 130 CO -0.15 -0.28 0.66 -1.71 -2.47 0.00 0.00 174.74 170.79 1k5g n ASN 131 N 3.16 -7.25 0.00 9.88 4.05 0.23 -0.98 115.26 124.35 1k5g n ASN 131 Ca -0.18 -0.07 0.00 0.00 0.45 0.00 0.00 54.58 54.78 1k5g n ASN 131 Cb 0.52 -4.55 0.00 0.00 1.23 0.00 0.00 39.78 36.98 1k5g n ASN 131 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1k5g n ASN 132 N -1.46 0.12 -3.46 1.20 4.13 -1.25 -1.80 115.26 112.74 1k5g n ASN 132 Ca -0.03 -0.44 -0.22 0.00 1.68 0.00 0.00 54.58 55.58 1k5g n ASN 132 Cb 0.53 0.29 0.08 0.00 -1.54 0.00 0.00 39.78 39.14 1k5g n ASN 132 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1k5g n GLY 133 N 0.29 -0.47 0.26 7.41 0.00 -1.25 -1.40 105.19 110.04 1k5g n GLY 133 Ca 0.00 0.20 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 1k5g n GLY 133 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1k5g h LEU 134 N -2.48 -0.70 0.00 0.99 3.38 -1.86 -2.92 115.31 111.73 1k5g h LEU 134 Ca -0.55 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1k5g h LEU 134 Cb 1.35 0.32 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1k5g h LEU 134 CO 0.53 -0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.40 1k5g n GLY 135 N -1.36 0.12 0.36 0.83 0.00 0.92 -3.70 105.19 102.35 1k5g n GLY 135 Ca -0.02 -1.67 0.04 0.00 0.00 0.00 0.00 46.02 44.36 1k5g n GLY 135 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1k5g h PRO 136 N 0.00 1.03 0.00 1.61 0.11 -1.66 0.51 132.00 133.60 1k5g h PRO 136 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1k5g h PRO 136 Cb 0.00 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 30.88 1k5g h PRO 136 CO 0.00 0.68 0.00 1.04 -0.21 0.00 0.00 178.00 179.51 1k5g n GLN 137 N -4.57 0.00 -0.19 1.05 3.00 -1.26 -2.17 117.38 113.23 1k5g n GLN 137 Ca 0.16 0.42 0.07 0.00 -0.01 0.00 0.00 57.00 57.64 1k5g n GLN 137 Cb 0.24 -1.34 0.36 0.00 0.00 0.00 0.00 30.24 29.50 1k5g n GLN 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1k5g h ALA 138 N -2.00 1.73 -0.66 -1.58 0.00 -1.69 -0.94 119.26 114.11 1k5g h ALA 138 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.02 1k5g h ALA 138 Cb 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.52 1k5g h ALA 138 CO 0.00 0.14 0.20 0.78 0.00 0.00 0.00 179.25 180.38 1k5g h GLY 139 N 0.74 0.93 0.94 0.00 0.00 -0.01 0.14 103.07 105.80 1k5g h GLY 139 Ca 0.33 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.58 1k5g h GLY 139 CO -0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 176.54 176.31 1k5g h ALA 140 N 1.50 0.00 -0.19 3.60 0.00 -0.66 0.16 119.26 123.68 1k5g h ALA 140 Ca 0.35 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.31 1k5g h ALA 140 Cb 0.52 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1k5g h ALA 140 CO -0.40 -0.51 -0.02 0.87 0.00 0.00 0.00 179.25 179.19 1k5g h LYS 141 N -0.02 0.03 -0.97 0.00 1.57 -0.91 0.21 116.57 116.48 1k5g h LYS 141 Ca 0.01 -0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.94 1k5g h LYS 141 Cb 0.04 -0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.24 1k5g h LYS 141 CO -0.03 0.02 0.58 0.82 -0.57 0.00 0.00 179.45 180.27 1k5g h ILE 142 N 0.03 0.80 -0.52 1.86 1.08 -0.37 0.48 117.51 120.86 1k5g h ILE 142 Ca 0.09 -0.28 -0.04 0.00 -0.39 0.00 0.00 64.86 64.24 1k5g h ILE 142 Cb 0.12 -0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 33.75 1k5g h ILE 142 CO -0.17 0.15 0.19 0.00 -0.69 0.00 0.00 178.15 177.63 1k5g h ALA 143 N 1.58 0.68 -0.05 1.87 0.00 0.14 -0.76 119.26 122.73 1k5g h ALA 143 Ca 0.52 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1k5g h ALA 143 Cb 0.68 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1k5g h ALA 143 CO -0.33 0.32 0.01 0.00 0.00 0.00 0.00 179.25 179.25 1k5g h ARG 144 N 0.71 0.08 -0.90 0.00 3.08 0.12 -1.96 114.38 115.52 1k5g h ARG 144 Ca 0.17 -0.02 0.24 0.00 0.07 0.00 0.00 59.98 60.45 1k5g h ARG 144 Cb 0.23 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 1k5g h ARG 144 CO -0.01 0.28 0.63 0.00 -1.07 0.00 0.00 179.97 179.80 1k5g h ALA 145 N 0.79 2.65 0.00 0.04 0.00 0.08 0.92 119.26 123.74 1k5g h ALA 145 Ca 0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1k5g h ALA 145 Cb 0.24 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1k5g h ALA 145 CO 0.00 -0.92 -0.81 -0.07 0.00 0.00 0.00 179.25 177.45 1k5g h LEU 146 N 0.12 0.00 -0.77 0.00 4.07 -0.44 -2.43 115.31 115.85 1k5g h LEU 146 Ca 0.44 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.34 1k5g h LEU 146 Cb 1.55 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.26 1k5g h LEU 146 CO -0.06 0.81 0.17 1.56 -1.08 0.00 0.00 178.44 179.84 1k5g h GLN 147 N 0.00 1.10 0.71 1.13 4.20 0.15 -1.23 115.11 121.16 1k5g h GLN 147 Ca -0.01 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.41 1k5g h GLN 147 Cb 1.62 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.26 1k5g h GLN 147 CO 0.11 0.96 -0.36 0.93 -0.67 0.00 0.00 178.83 179.80 1k5g h GLU 148 N 1.04 -0.94 -1.27 1.46 4.39 -1.01 -2.07 114.58 116.19 1k5g h GLU 148 Ca 0.22 0.06 0.46 0.00 0.34 0.00 0.00 59.36 60.45 1k5g h GLU 148 Cb 0.36 0.21 -0.15 0.00 -0.10 0.00 0.00 28.75 29.07 1k5g h GLU 148 CO 0.00 -0.63 0.78 1.25 -1.16 0.00 0.00 179.01 179.25 1k5g h LEU 149 N -0.98 0.24 -0.05 1.33 5.85 -1.16 1.32 115.31 121.85 1k5g h LEU 149 Ca -0.10 0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1k5g h LEU 149 Cb 0.76 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 1k5g h LEU 149 CO 0.14 -0.32 -0.23 0.00 -0.34 0.00 0.00 178.44 177.70 1k5g h ALA 150 N 1.73 -0.26 0.84 1.25 0.00 -0.50 -0.11 119.26 122.21 1k5g h ALA 150 Ca 0.88 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.76 1k5g h ALA 150 Cb 2.66 0.42 0.01 0.00 0.00 0.00 0.00 17.79 20.88 1k5g h ALA 150 CO -0.56 -0.71 -0.40 0.28 0.00 0.00 0.00 179.25 177.85 1k5g h VAL 151 N -0.33 0.17 -0.08 0.00 2.07 0.18 -2.07 116.25 116.19 1k5g h VAL 151 Ca 0.08 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.60 1k5g h VAL 151 Cb 0.44 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1k5g h VAL 151 CO -0.24 0.00 0.32 0.78 0.02 0.00 0.00 177.57 178.45 1k5g h ASN 152 N -1.14 0.00 0.10 0.57 2.35 -1.17 -0.16 115.58 116.14 1k5g h ASN 152 Ca -0.12 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.48 1k5g h ASN 152 Cb 0.87 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.25 1k5g h ASN 152 CO 0.19 0.00 -0.66 0.11 -1.65 0.00 0.00 177.43 175.42 1k5g h LYS 153 N 0.00 0.27 0.00 0.81 1.57 -0.53 -3.17 116.57 115.52 1k5g h LYS 153 Ca 0.04 -0.42 -0.03 0.00 -1.87 0.00 0.00 60.65 58.37 1k5g h LYS 153 Cb 0.67 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 1k5g h LYS 153 CO -0.00 1.18 -0.14 -0.22 -0.57 0.00 0.00 179.45 179.70 1k5g h LYS 154 N -0.42 0.00 -0.05 3.15 3.64 -0.38 -2.14 116.57 120.37 1k5g h LYS 154 Ca -0.11 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.12 1k5g h LYS 154 Cb 1.49 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.30 1k5g h LYS 154 CO 0.12 0.14 -0.64 0.00 -2.27 0.00 0.00 179.45 176.80 1k5g h ALA 155 N 1.86 0.82 -0.41 5.00 0.00 -1.38 -3.23 119.26 121.92 1k5g h ALA 155 Ca -0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 1k5g h ALA 155 Cb 0.38 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1k5g h ALA 155 CO 0.02 0.76 0.05 1.63 0.00 0.00 0.00 179.25 181.71 1k5g n LYS 156 N -3.84 3.05 -4.25 0.00 5.02 -0.86 -4.96 118.16 112.31 1k5g n LYS 156 Ca -0.02 -2.99 -0.37 0.00 -2.02 0.00 0.00 58.31 52.91 1k5g n LYS 156 Cb 0.64 -1.96 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 1k5g n LYS 156 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1k5g n ASN 157 N -0.47 -2.49 -4.90 4.39 4.13 -0.87 -4.92 115.26 110.14 1k5g n ASN 157 Ca 0.29 -1.02 -0.28 0.00 1.68 0.00 0.00 54.58 55.24 1k5g n ASN 157 Cb 1.06 -2.10 -0.00 0.00 -1.54 0.00 0.00 39.78 37.19 1k5g n ASN 157 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1k5g s ALA 158 N -3.18 3.35 0.67 5.41 0.00 -0.92 -5.04 121.76 122.05 1k5g s ALA 158 Ca 0.74 -0.40 -0.17 0.00 0.00 0.00 0.00 51.96 52.13 1k5g s ALA 158 Cb -0.42 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 1k5g s ALA 158 CO 0.91 -0.35 0.69 -2.30 0.00 0.00 0.00 175.76 174.70 1k5g n PRO 159 N -2.20 0.48 -2.20 0.00 -0.02 -1.26 -4.84 135.00 124.96 1k5g n PRO 159 Ca 0.02 0.20 -0.33 0.00 -2.02 0.00 0.00 63.50 61.37 1k5g n PRO 159 Cb 0.55 -1.94 -0.01 0.00 -0.02 0.00 0.00 33.50 32.08 1k5g n PRO 159 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1k5g s PRO 160 N -2.75 3.51 0.32 0.52 0.02 -1.26 -4.94 135.00 130.42 1k5g s PRO 160 Ca 0.70 1.19 -0.28 0.00 0.02 0.00 0.00 61.00 62.62 1k5g s PRO 160 Cb -0.38 -2.06 -0.10 0.00 0.02 0.00 0.00 34.50 31.99 1k5g s PRO 160 CO 0.54 -0.65 1.18 -1.17 -0.33 0.00 0.00 177.00 176.57 1k5g s LEU 161 N -4.24 4.44 -0.04 -5.54 2.96 -1.26 -4.70 118.68 110.29 1k5g s LEU 161 Ca 0.63 2.42 0.03 0.00 -0.22 0.00 0.00 54.13 56.99 1k5g s LEU 161 Cb -0.15 -3.72 -0.05 0.00 0.50 0.00 0.00 46.19 42.77 1k5g s LEU 161 CO 0.33 -0.38 0.00 0.54 -1.32 0.00 0.00 176.35 175.52 1k5g n ARG 162 N 0.82 2.82 -3.83 1.98 5.12 0.17 -3.82 116.66 119.93 1k5g n ARG 162 Ca 0.00 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.74 1k5g n ARG 162 Cb 0.44 -1.10 -0.17 0.00 -1.16 0.00 0.00 32.46 30.47 1k5g n ARG 162 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1k5g s SER 163 N -3.65 0.75 -0.24 0.55 0.01 -0.47 0.35 113.70 110.99 1k5g s SER 163 Ca -0.03 -0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.24 1k5g s SER 163 Cb 0.01 -0.23 0.06 0.00 0.21 0.00 0.00 66.02 66.07 1k5g s SER 163 CO 0.16 -0.15 -0.10 -0.63 0.41 0.00 0.00 173.24 172.93 1k5g s ILE 164 N 1.43 1.94 -0.65 1.44 1.01 -0.05 0.21 121.20 126.53 1k5g s ILE 164 Ca -0.04 -1.43 -0.06 0.00 0.00 0.00 0.00 60.65 59.12 1k5g s ILE 164 Cb -0.13 -2.08 0.17 0.00 0.01 0.00 0.00 42.46 40.43 1k5g s ILE 164 CO -0.03 -0.00 0.49 -0.63 0.00 0.00 0.00 174.94 174.77 1k5g s ILE 165 N 1.22 4.13 -0.44 2.92 -1.09 -0.20 -1.14 121.20 126.60 1k5g s ILE 165 Ca -0.07 -2.75 0.02 0.00 -2.23 0.00 0.00 60.65 55.63 1k5g s ILE 165 Cb -0.19 -3.66 0.13 0.00 -1.58 0.00 0.00 42.46 37.16 1k5g s ILE 165 CO -0.06 -0.90 0.23 0.00 -1.23 0.00 0.00 174.94 172.98 1k5g s GLY 167 N 0.38 1.19 -0.99 0.00 0.00 -1.23 -4.16 107.32 102.50 1k5g s GLY 167 Ca 0.17 -1.58 -0.06 0.00 0.00 0.00 0.00 44.72 43.25 1k5g s GLY 167 CO -0.01 -1.46 0.87 0.54 0.00 0.00 0.00 173.10 173.04 1k5g n ARG 168 N -0.20 -5.83 0.00 2.90 1.74 0.18 0.77 116.66 116.22 1k5g n ARG 168 Ca -0.05 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 1k5g n ARG 168 Cb 0.64 -5.00 0.00 0.00 -1.02 0.00 0.00 32.46 27.08 1k5g n ARG 168 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1k5g n ASN 169 N -1.91 1.04 -3.91 0.55 3.02 -1.25 -3.77 115.26 109.04 1k5g n ASN 169 Ca -0.01 -1.30 -0.28 0.00 -0.03 0.00 0.00 54.58 52.96 1k5g n ASN 169 Cb 0.55 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.74 1k5g n ASN 169 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1k5g n ARG 170 N -0.15 -4.79 0.33 3.52 1.74 -1.26 -0.06 116.66 115.99 1k5g n ARG 170 Ca 0.00 0.55 0.19 0.00 -0.77 0.00 0.00 57.85 57.82 1k5g n ARG 170 Cb 0.16 -5.24 0.99 0.00 -1.02 0.00 0.00 32.46 27.36 1k5g n ARG 170 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1k5g h LEU 171 N -1.93 0.00 0.00 0.55 3.38 -1.81 -2.85 115.31 112.64 1k5g h LEU 171 Ca -0.60 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.40 1k5g h LEU 171 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1k5g h LEU 171 CO 0.65 0.00 -0.03 -0.62 0.09 0.00 0.00 178.44 178.53 1k5g n GLU 172 N -3.04 -0.16 0.17 1.13 1.02 0.29 -2.84 120.64 117.20 1k5g n GLU 172 Ca -0.02 0.11 0.04 0.00 -0.02 0.00 0.00 57.16 57.27 1k5g n GLU 172 Cb 0.25 -0.20 0.18 0.00 -0.02 0.00 0.00 31.44 31.65 1k5g n GLU 172 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1k5g h ASN 173 N -0.07 0.00 -0.92 1.62 -0.26 -1.84 -3.27 115.58 110.84 1k5g h ASN 173 Ca 0.00 0.00 0.26 0.00 -0.56 0.00 0.00 56.30 56.00 1k5g h ASN 173 Cb 0.07 0.00 -0.16 0.00 -1.06 0.00 0.00 38.32 37.17 1k5g h ASN 173 CO 0.00 0.43 0.14 1.23 -1.06 0.00 0.00 177.43 178.17 1k5g h GLY 174 N 2.88 1.33 -1.81 2.83 0.00 -1.91 0.32 103.07 106.71 1k5g h GLY 174 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1k5g h GLY 174 CO 0.06 -0.46 0.00 -1.14 0.00 0.00 0.00 176.54 174.99 1k5g n SER 175 N -5.36 2.87 -0.14 0.19 3.41 -1.13 -4.40 113.62 109.06 1k5g n SER 175 Ca 0.23 -1.91 -0.07 0.00 -0.26 0.00 0.00 58.87 56.86 1k5g n SER 175 Cb 0.74 -0.16 0.08 0.00 -0.26 0.00 0.00 64.21 64.62 1k5g n SER 175 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1k5g h MET 176 N 3.90 0.89 -0.40 4.33 2.07 -1.02 -0.28 114.93 124.43 1k5g h MET 176 Ca 0.00 -0.30 0.08 0.00 -2.07 0.00 0.00 59.70 57.41 1k5g h MET 176 Cb 0.85 -0.07 -0.08 0.00 -1.87 0.00 0.00 31.60 30.43 1k5g h MET 176 CO 0.00 0.94 -0.16 0.87 1.07 0.00 0.00 176.91 179.63 1k5g h LYS 177 N 0.80 -0.08 0.07 1.72 1.57 -1.77 0.44 116.57 119.33 1k5g h LYS 177 Ca 0.13 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1k5g h LYS 177 Cb 0.61 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1k5g h LYS 177 CO 0.04 -0.05 -0.04 1.49 -0.57 0.00 0.00 179.45 180.32 1k5g h GLU 178 N -0.08 -0.09 -0.97 3.15 4.57 -1.79 -3.17 114.58 116.19 1k5g h GLU 178 Ca 0.20 0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.54 1k5g h GLU 178 Cb 0.38 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.91 1k5g h GLU 178 CO -0.46 0.35 0.61 -1.49 -1.18 0.00 0.00 179.01 176.85 1k5g h TRP 179 N -0.58 1.02 -0.49 0.92 4.06 -0.75 0.68 115.95 120.81 1k5g h TRP 179 Ca -0.01 0.03 0.08 0.00 2.06 0.00 0.00 58.89 61.05 1k5g h TRP 179 Cb 0.49 -0.32 -0.03 0.00 -1.00 0.00 0.00 29.16 28.31 1k5g h TRP 179 CO 0.08 0.34 0.33 0.00 -3.56 0.00 0.00 178.44 175.63 1k5g h ALA 180 N 1.59 2.04 -0.07 1.49 0.00 -0.92 0.13 119.26 123.53 1k5g h ALA 180 Ca 0.51 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.18 1k5g h ALA 180 Cb 0.71 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1k5g h ALA 180 CO -0.28 -0.15 -0.84 0.87 0.00 0.00 0.00 179.25 178.85 1k5g h LYS 181 N 0.32 0.69 -0.92 0.00 1.57 0.35 -2.66 116.57 115.91 1k5g h LYS 181 Ca 0.22 -0.65 0.16 0.00 -1.87 0.00 0.00 60.65 58.52 1k5g h LYS 181 Cb 0.47 0.16 -0.08 0.00 0.08 0.00 0.00 32.23 32.86 1k5g h LYS 181 CO -0.05 1.25 0.59 1.15 -0.57 0.00 0.00 179.45 181.82 1k5g h THR 182 N 0.36 0.78 -0.15 -0.16 2.02 0.50 -0.37 112.91 115.90 1k5g h THR 182 Ca -0.09 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 66.76 1k5g h THR 182 Cb 1.49 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1k5g h THR 182 CO 0.17 0.12 -0.31 -0.26 0.37 0.00 0.00 175.52 175.61 1k5g h PHE 183 N 0.66 0.59 -0.75 3.16 0.05 -1.00 -2.20 116.94 117.46 1k5g h PHE 183 Ca 0.48 -0.22 0.22 0.00 3.82 0.00 0.00 57.97 62.27 1k5g h PHE 183 Cb 0.84 -0.11 -0.03 0.00 2.00 0.00 0.00 35.95 38.65 1k5g h PHE 183 CO -0.00 0.93 0.56 1.96 -0.18 0.00 0.00 178.31 181.58 1k5g h GLN 184 N 0.08 0.00 0.29 1.51 4.20 -0.77 -1.73 115.11 118.69 1k5g h GLN 184 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1k5g h GLN 184 Cb 0.91 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1k5g h GLN 184 CO 0.07 0.00 -0.14 0.77 -0.67 0.00 0.00 178.83 178.86 1k5g h SER 185 N 0.00 -0.33 -1.46 1.46 0.02 -0.74 -3.37 113.55 109.13 1k5g h SER 185 Ca 0.35 0.01 -0.75 0.00 -0.84 0.00 0.00 61.79 60.57 1k5g h SER 185 Cb 1.46 0.09 -0.15 0.00 0.14 0.00 0.00 62.40 63.94 1k5g h SER 185 CO -0.00 -0.10 1.95 1.41 -1.14 0.00 0.00 176.83 178.95 1k5g n HIS 186 N -3.82 3.54 1.07 3.45 8.25 -0.66 -4.81 115.22 122.24 1k5g n HIS 186 Ca -0.05 -2.94 0.00 0.00 -0.26 0.00 0.00 57.72 54.47 1k5g n HIS 186 Cb 0.15 -2.07 0.00 0.00 1.12 0.00 0.00 29.99 29.19 1k5g n HIS 186 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1k5g n ARG 187 N 4.61 0.74 -0.08 -0.41 1.74 -1.20 -3.08 116.66 118.98 1k5g n ARG 187 Ca 0.40 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.58 1k5g n ARG 187 Cb 0.38 -1.20 0.14 0.00 -1.02 0.00 0.00 32.46 30.76 1k5g n ARG 187 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1k5g n LEU 188 N -0.15 2.39 -4.75 0.55 4.77 -1.26 -4.25 117.00 114.29 1k5g n LEU 188 Ca 0.00 -3.10 -0.34 0.00 -0.03 0.00 0.00 56.01 52.55 1k5g n LEU 188 Cb 0.10 -0.43 0.05 0.00 -2.33 0.00 0.00 43.42 40.81 1k5g n LEU 188 CO 0.00 0.72 0.77 -0.76 -1.33 0.00 0.00 177.39 176.79 1k5g s LEU 189 N -2.88 3.44 -0.05 2.23 1.43 -1.18 -4.70 118.68 116.97 1k5g s LEU 189 Ca 0.32 2.17 0.01 0.00 -1.03 0.00 0.00 54.13 55.60 1k5g s LEU 189 Cb 0.28 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.89 1k5g s LEU 189 CO 0.03 -1.76 -0.04 1.41 0.23 0.00 0.00 176.35 176.22 1k5g n HIS 190 N -2.28 0.00 -3.88 0.29 8.25 0.16 -2.73 115.22 115.04 1k5g n HIS 190 Ca 0.12 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.29 1k5g n HIS 190 Cb 0.51 -0.21 -0.16 0.00 1.12 0.00 0.00 29.99 31.25 1k5g n HIS 190 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1k5g s THR 191 N -2.11 1.12 -0.15 1.59 2.01 -0.72 -0.14 115.64 117.24 1k5g s THR 191 Ca -0.07 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.18 1k5g s THR 191 Cb 0.02 -1.37 0.02 0.00 0.01 0.00 0.00 72.50 71.18 1k5g s THR 191 CO 0.13 0.02 -0.14 0.54 -0.69 0.00 0.00 174.62 174.48 1k5g s VAL 192 N 1.61 1.57 -0.29 3.82 0.11 -0.31 -0.87 120.40 126.04 1k5g s VAL 192 Ca -0.01 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 1k5g s VAL 192 Cb -0.16 -1.47 0.09 0.00 -1.53 0.00 0.00 36.38 33.30 1k5g s VAL 192 CO -0.07 0.46 0.05 -0.54 -3.33 0.00 0.00 175.10 171.67 1k5g s LYS 193 N 1.48 1.06 -0.76 1.54 1.02 -0.29 -2.22 119.74 121.56 1k5g s LYS 193 Ca 0.05 -1.20 0.03 0.00 0.02 0.00 0.00 55.97 54.87 1k5g s LYS 193 Cb -0.13 -2.39 0.27 0.00 -0.52 0.00 0.00 37.83 35.06 1k5g s LYS 193 CO -0.11 -0.88 0.98 -1.33 -0.92 0.00 0.00 175.35 173.10 1k5g n MET 194 N 4.69 3.17 -2.93 1.68 2.81 -0.65 -0.81 117.12 125.09 1k5g n MET 194 Ca -0.03 -4.67 -0.36 0.00 -1.81 0.00 0.00 57.70 50.83 1k5g n MET 194 Cb 0.43 -2.33 -0.06 0.00 -0.71 0.00 0.00 33.22 30.55 1k5g n MET 194 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1k5g s VAL 195 N -2.79 4.38 -1.17 2.03 1.01 -1.26 -4.45 120.40 118.16 1k5g s VAL 195 Ca 0.38 1.56 -0.10 0.00 0.00 0.00 0.00 61.98 63.83 1k5g s VAL 195 Cb 0.14 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1k5g s VAL 195 CO 0.01 0.15 0.80 1.67 0.00 0.00 0.00 175.10 177.72 1k5g n GLN 196 N 0.57 -2.66 -0.58 2.72 0.00 0.46 0.52 117.38 118.41 1k5g n GLN 196 Ca 0.00 0.62 0.04 0.00 -0.00 0.00 0.00 57.00 57.67 1k5g n GLN 196 Cb 0.51 -4.93 0.20 0.00 0.00 0.00 0.00 30.24 26.02 1k5g n GLN 196 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1k5g n ASN 197 N -2.95 2.03 0.00 1.69 3.02 -1.26 -2.62 115.26 115.17 1k5g n ASN 197 Ca -0.15 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 50.65 1k5g n ASN 197 Cb 0.63 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 1k5g n ASN 197 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k5g n GLY 198 N -1.14 0.00 3.68 7.41 0.00 -1.26 -0.55 105.19 113.33 1k5g n GLY 198 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1k5g n GLY 198 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k5g s ILE 199 N -0.53 2.62 0.61 -0.61 1.01 -1.26 -4.60 121.20 118.43 1k5g s ILE 199 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.69 1k5g s ILE 199 Cb 0.00 -3.00 0.08 0.00 0.01 0.00 0.00 42.46 39.55 1k5g s ILE 199 CO 0.00 -0.00 0.84 -0.13 0.00 0.00 0.00 174.94 175.65 1k5g s ARG 200 N 3.19 2.18 0.00 2.79 0.52 -1.26 -2.09 118.95 124.28 1k5g s ARG 200 Ca 0.83 -1.21 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 1k5g s ARG 200 Cb -0.46 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.51 1k5g s ARG 200 CO 0.38 -0.98 0.64 -2.30 0.02 0.00 0.00 175.30 173.06 1k5g n PRO 201 N -2.44 0.00 -0.32 3.54 -0.02 -0.61 -0.15 135.00 135.00 1k5g n PRO 201 Ca 0.13 0.64 0.18 0.00 -2.02 0.00 0.00 63.50 62.43 1k5g n PRO 201 Cb 0.60 -0.99 0.37 0.00 -0.02 0.00 0.00 33.50 33.47 1k5g n PRO 201 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1k5g h GLU 202 N 0.00 0.24 0.24 -0.52 3.07 -1.89 0.22 114.58 115.95 1k5g h GLU 202 Ca 0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1k5g h GLU 202 Cb 0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1k5g h GLU 202 CO 0.00 0.16 -0.19 0.78 -1.40 0.00 0.00 179.01 178.36 1k5g h GLY 203 N 0.25 -0.44 1.01 -3.84 0.00 -0.91 -2.47 103.07 96.67 1k5g h GLY 203 Ca 0.64 0.21 -0.04 0.00 0.00 0.00 0.00 47.33 48.14 1k5g h GLY 203 CO -0.65 -0.18 0.26 -2.22 0.00 0.00 0.00 176.54 173.75 1k5g h ILE 204 N -0.44 1.24 -0.60 2.60 5.03 0.11 0.21 117.51 125.66 1k5g h ILE 204 Ca -0.01 -0.73 0.12 0.00 -0.12 0.00 0.00 64.86 64.12 1k5g h ILE 204 Cb 0.38 0.51 -0.10 0.00 -3.03 0.00 0.00 36.82 34.58 1k5g h ILE 204 CO -0.01 0.29 0.02 -0.08 -0.68 0.00 0.00 178.15 177.69 1k5g h GLU 205 N 0.91 0.13 0.19 2.37 4.81 -0.57 0.25 114.58 122.66 1k5g h GLU 205 Ca 0.22 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1k5g h GLU 205 Cb 0.20 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1k5g h GLU 205 CO -0.02 0.08 -0.09 1.25 -0.73 0.00 0.00 179.01 179.51 1k5g h HIS 206 N 0.13 -0.23 -1.17 0.92 2.76 -1.13 -1.15 115.15 115.28 1k5g h HIS 206 Ca 0.31 -0.01 0.41 0.00 -2.20 0.00 0.00 60.37 58.88 1k5g h HIS 206 Cb 0.49 0.08 -0.12 0.00 1.55 0.00 0.00 27.41 29.41 1k5g h HIS 206 CO -0.34 -0.14 0.74 -0.11 -1.30 0.00 0.00 177.93 176.78 1k5g n LEU 207 N -2.99 0.19 0.00 0.26 7.94 0.03 -0.68 117.00 121.75 1k5g n LEU 207 Ca -0.03 1.22 0.00 0.00 -1.11 0.00 0.00 56.01 56.09 1k5g n LEU 207 Cb 0.10 -0.60 0.00 0.00 0.53 0.00 0.00 43.42 43.45 1k5g n LEU 207 CO 0.07 -1.33 0.01 0.18 -1.11 0.00 0.00 177.39 175.22 1k5g n LEU 208 N -4.47 2.22 -0.10 -1.96 7.99 0.86 -1.77 117.00 119.77 1k5g n LEU 208 Ca 0.35 0.13 0.26 0.00 -0.01 0.00 0.00 56.01 56.74 1k5g n LEU 208 Cb 1.34 -0.12 0.72 0.00 -0.11 0.00 0.00 43.42 45.25 1k5g n LEU 208 CO 0.15 -0.12 1.24 -0.07 -1.51 0.00 0.00 177.39 177.07 1k5g h LEU 209 N 0.00 0.00 -0.43 2.23 3.38 -0.77 -2.12 115.31 117.60 1k5g h LEU 209 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1k5g h LEU 209 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1k5g h LEU 209 CO 0.00 0.00 -0.28 1.21 0.09 0.00 0.00 178.44 179.46 1k5g n GLU 210 N -4.13 2.97 0.00 1.13 4.07 0.14 -4.75 120.64 120.07 1k5g n GLU 210 Ca 0.15 -0.34 0.00 0.00 -0.06 0.00 0.00 57.16 56.91 1k5g n GLU 210 Cb 0.86 -0.99 0.00 0.00 -0.06 0.00 0.00 31.44 31.25 1k5g n GLU 210 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1k5g n GLY 211 N 1.00 0.91 0.27 8.31 0.00 -0.88 -4.66 105.19 110.14 1k5g n GLY 211 Ca 0.03 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.21 1k5g n GLY 211 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k5g n LEU 212 N 0.00 0.02 0.29 0.99 7.99 -0.73 -0.54 117.00 125.04 1k5g n LEU 212 Ca 0.00 1.35 0.06 0.00 -0.01 0.00 0.00 56.01 57.41 1k5g n LEU 212 Cb 0.00 -0.55 0.30 0.00 -0.11 0.00 0.00 43.42 43.06 1k5g n LEU 212 CO 0.00 -1.42 0.99 0.00 -1.51 0.00 0.00 177.39 175.45 1k5g h ALA 213 N 1.61 1.64 -0.00 -1.18 0.00 -1.65 1.15 119.26 120.83 1k5g h ALA 213 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1k5g h ALA 213 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1k5g h ALA 213 CO -0.71 -0.64 -0.37 0.66 0.00 0.00 0.00 179.25 178.19 1k5g n TYR 214 N -2.48 0.00 -1.75 0.00 4.02 0.30 -4.48 117.16 112.77 1k5g n TYR 214 Ca -0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.52 1k5g n TYR 214 Cb 0.70 -0.17 -0.02 0.00 -0.02 0.00 0.00 39.34 39.83 1k5g n TYR 214 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1k5g h GLN 216 N 4.34 0.00 0.00 0.00 4.20 -1.75 0.41 115.11 122.30 1k5g h GLN 216 Ca 0.66 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.37 1k5g h GLN 216 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1k5g h GLN 216 CO 1.37 0.00 0.00 0.93 -0.67 0.00 0.00 178.83 180.46 1k5g h GLU 217 N 0.00 0.00 -5.36 1.46 4.39 -1.80 -3.39 114.58 109.88 1k5g h GLU 217 Ca 0.66 0.00 -0.73 0.00 0.34 0.00 0.00 59.36 59.62 1k5g h GLU 217 Cb 3.20 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 31.88 1k5g h GLU 217 CO -0.01 0.00 0.23 -0.11 -1.16 0.00 0.00 179.01 177.96 1k5g n LEU 218 N -2.52 0.33 -0.07 1.33 7.94 0.14 -4.74 117.00 119.41 1k5g n LEU 218 Ca 0.05 1.04 -0.14 0.00 -1.11 0.00 0.00 56.01 55.85 1k5g n LEU 218 Cb 0.43 -0.81 -0.06 0.00 0.53 0.00 0.00 43.42 43.51 1k5g n LEU 218 CO 0.30 -1.41 -1.00 0.29 -1.11 0.00 0.00 177.39 174.47 1k5g n LYS 219 N 2.04 0.34 -4.09 1.96 5.02 -0.06 -3.50 118.16 119.87 1k5g n LYS 219 Ca 0.21 0.12 -0.26 0.00 -2.02 0.00 0.00 58.31 56.36 1k5g n LYS 219 Cb 0.03 -1.15 -0.17 0.00 -0.02 0.00 0.00 35.03 33.73 1k5g n LYS 219 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1k5g s VAL 220 N -2.28 1.04 -0.08 -0.18 1.01 0.80 -0.01 120.40 120.70 1k5g s VAL 220 Ca -0.20 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1k5g s VAL 220 Cb 0.07 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.44 1k5g s VAL 220 CO 0.29 0.36 -0.06 -0.22 0.00 0.00 0.00 175.10 175.48 1k5g s LEU 221 N 1.40 1.15 -0.13 3.92 2.96 -0.76 -1.17 118.68 126.07 1k5g s LEU 221 Ca -0.01 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 1k5g s LEU 221 Cb -0.13 -0.64 0.02 0.00 0.50 0.00 0.00 46.19 45.93 1k5g s LEU 221 CO -0.05 -0.10 -0.11 -0.62 -1.32 0.00 0.00 176.35 174.16 1k5g s ASP 222 N 1.40 2.39 -0.15 3.68 -1.08 -0.94 -1.75 116.67 120.22 1k5g s ASP 222 Ca -0.02 -0.39 0.14 0.00 -0.52 0.00 0.00 52.55 51.76 1k5g s ASP 222 Cb -0.13 -1.00 0.36 0.00 -1.46 0.00 0.00 42.92 40.69 1k5g s ASP 222 CO -0.03 -0.08 1.18 0.18 0.52 0.00 0.00 175.17 176.94 1k5g n LEU 223 N 4.78 2.29 -4.51 -1.34 4.77 -0.58 -1.63 117.00 120.77 1k5g n LEU 223 Ca -0.15 -3.33 -0.45 0.00 -0.03 0.00 0.00 56.01 52.05 1k5g n LEU 223 Cb 0.50 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1k5g n LEU 223 CO 0.19 1.05 0.31 1.67 -1.33 0.00 0.00 177.39 179.29 1k5g n GLN 224 N -0.99 0.83 -3.51 3.23 7.27 -1.16 -3.53 117.38 119.52 1k5g n GLN 224 Ca 0.16 0.29 -0.21 0.00 0.07 0.00 0.00 57.00 57.32 1k5g n GLN 224 Cb 0.72 -1.56 0.08 0.00 2.41 0.00 0.00 30.24 31.90 1k5g n GLN 224 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1k5g n ASP 225 N 1.42 -4.26 -4.12 1.69 2.03 -0.31 -0.40 116.55 112.59 1k5g n ASP 225 Ca 0.12 -0.58 -0.22 0.00 0.52 0.00 0.00 54.79 54.64 1k5g n ASP 225 Cb 0.32 -5.08 -0.15 0.00 -0.72 0.00 0.00 41.12 35.50 1k5g n ASP 225 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1k5g s ASN 226 N -3.83 1.67 -0.27 1.67 0.01 -1.23 -4.03 114.94 108.93 1k5g s ASN 226 Ca 0.30 -0.32 -0.29 0.00 -0.71 0.00 0.00 52.86 51.84 1k5g s ASN 226 Cb -0.13 -0.16 -0.01 0.00 0.41 0.00 0.00 41.25 41.36 1k5g s ASN 226 CO 0.73 0.13 1.39 -0.89 -1.51 0.00 0.00 177.10 176.95 1k5g s THR 227 N -0.49 4.01 -0.08 1.60 2.01 -0.89 -4.21 115.64 117.60 1k5g s THR 227 Ca 0.04 1.15 -0.06 0.00 0.31 0.00 0.00 61.69 63.13 1k5g s THR 227 Cb -0.06 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 1k5g s THR 227 CO 0.00 -0.41 -0.13 0.49 -0.69 0.00 0.00 174.62 173.89 1k5g n PHE 228 N 7.81 0.28 -3.96 4.92 3.01 0.89 -1.58 117.46 128.83 1k5g n PHE 228 Ca 0.16 0.12 0.02 0.00 1.01 0.00 0.00 57.45 58.76 1k5g n PHE 228 Cb 0.46 -0.41 -0.01 0.00 -0.01 0.00 0.00 39.48 39.52 1k5g n PHE 228 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1k5g n THR 229 N -3.47 0.00 -0.31 4.37 -2.24 -0.68 -1.57 114.28 110.38 1k5g n THR 229 Ca -0.05 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.76 1k5g n THR 229 Cb 0.19 -0.06 0.23 0.00 -2.10 0.00 0.00 70.33 68.58 1k5g n THR 229 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1k5g h HIS 230 N -0.17 1.07 0.35 4.78 2.76 -1.83 -0.82 115.15 121.30 1k5g h HIS 230 Ca 0.00 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1k5g h HIS 230 Cb 0.17 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 28.78 1k5g h HIS 230 CO 0.00 0.57 -0.17 1.25 -1.30 0.00 0.00 177.93 178.28 1k5g h LEU 231 N 1.06 -0.40 -0.35 0.26 5.85 -1.91 -1.64 115.31 118.18 1k5g h LEU 231 Ca 0.39 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.09 1k5g h LEU 231 Cb 0.17 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1k5g h LEU 231 CO -0.14 -0.22 0.17 1.23 -0.34 0.00 0.00 178.44 179.14 1k5g h GLY 232 N -0.57 0.47 0.44 3.75 0.00 -0.94 -2.73 103.07 103.49 1k5g h GLY 232 Ca -0.05 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.18 1k5g h GLY 232 CO 0.08 0.09 -0.30 1.76 0.00 0.00 0.00 176.54 178.17 1k5g h SER 233 N 0.35 -0.88 -1.01 0.19 0.02 -1.09 -0.03 113.55 111.11 1k5g h SER 233 Ca 0.15 0.10 0.23 0.00 -0.84 0.00 0.00 61.79 61.43 1k5g h SER 233 Cb 0.07 0.34 -0.11 0.00 0.14 0.00 0.00 62.40 62.83 1k5g h SER 233 CO -0.11 -0.39 0.61 0.28 -1.14 0.00 0.00 176.83 176.09 1k5g h SER 234 N -0.51 0.67 0.92 3.07 0.02 -1.16 0.56 113.55 117.14 1k5g h SER 234 Ca 0.04 0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1k5g h SER 234 Cb 0.55 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.09 1k5g h SER 234 CO -0.19 0.17 -0.44 0.00 -1.14 0.00 0.00 176.83 175.22 1k5g h ALA 235 N 1.68 -1.26 -0.86 3.77 0.00 -0.97 -1.87 119.26 119.75 1k5g h ALA 235 Ca 0.61 -0.27 0.22 0.00 0.00 0.00 0.00 54.91 55.46 1k5g h ALA 235 Cb 1.14 0.48 -0.13 0.00 0.00 0.00 0.00 17.79 19.28 1k5g h ALA 235 CO -0.40 -1.17 0.28 1.25 0.00 0.00 0.00 179.25 179.21 1k5g h LEU 236 N -1.32 0.11 0.39 0.00 5.85 0.98 0.08 115.31 121.40 1k5g h LEU 236 Ca -0.13 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1k5g h LEU 236 Cb 0.95 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 1k5g h LEU 236 CO 0.21 -0.08 -0.33 0.00 -0.34 0.00 0.00 178.44 177.90 1k5g h ALA 237 N 1.72 -0.73 -0.45 1.25 0.00 0.21 -0.70 119.26 120.56 1k5g h ALA 237 Ca 0.53 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.38 1k5g h ALA 237 Cb 1.02 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 1k5g h ALA 237 CO -0.59 -0.94 0.14 0.82 0.00 0.00 0.00 179.25 178.68 1k5g h ILE 238 N -0.72 0.82 0.00 0.00 2.04 -0.38 -2.72 117.51 116.55 1k5g h ILE 238 Ca -0.03 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1k5g h ILE 238 Cb 0.63 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1k5g h ILE 238 CO -0.02 0.05 -0.14 0.00 0.00 0.00 0.00 178.15 178.04 1k5g h ALA 239 N 1.31 1.20 -0.94 1.87 0.00 -0.76 -3.28 119.26 118.66 1k5g h ALA 239 Ca 0.22 -0.13 0.20 0.00 0.00 0.00 0.00 54.91 55.20 1k5g h ALA 239 Cb 0.23 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 1k5g h ALA 239 CO -0.24 0.18 0.61 -0.07 0.00 0.00 0.00 179.25 179.72 1k5g h LEU 240 N 0.00 0.52 -0.80 0.00 3.38 -0.80 0.37 115.31 117.98 1k5g h LEU 240 Ca -0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1k5g h LEU 240 Cb 0.44 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1k5g h LEU 240 CO 0.02 0.20 0.00 2.29 0.09 0.00 0.00 178.44 181.04 1k5g n LYS 241 N -4.58 0.10 0.18 1.13 2.85 -1.24 -2.24 118.16 114.37 1k5g n LYS 241 Ca 0.20 0.52 0.11 0.00 -1.05 0.00 0.00 58.31 58.10 1k5g n LYS 241 Cb 0.66 -1.79 0.11 0.00 -0.65 0.00 0.00 35.03 33.37 1k5g n LYS 241 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1k5g h SER 242 N 0.00 0.00 -3.93 -5.58 0.02 -1.17 -3.41 113.55 99.48 1k5g h SER 242 Ca 0.00 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.27 1k5g h SER 242 Cb 0.10 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.28 1k5g h SER 242 CO 0.00 0.03 -0.36 0.26 -1.14 0.00 0.00 176.83 175.63 1k5g s TRP 243 N -3.24 3.49 0.08 3.45 0.51 -0.95 -4.31 118.94 117.98 1k5g s TRP 243 Ca 0.05 -2.90 -0.20 0.00 -2.12 0.00 0.00 56.10 50.92 1k5g s TRP 243 Cb 0.06 -3.12 -0.10 0.00 -0.81 0.00 0.00 33.47 29.51 1k5g s TRP 243 CO 0.71 -0.78 1.59 -1.35 -0.51 0.00 0.00 176.95 176.61 1k5g h PRO 244 N 6.58 0.28 -1.09 4.98 0.11 -1.81 -2.74 132.00 138.30 1k5g h PRO 244 Ca 0.03 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 65.90 1k5g h PRO 244 Cb 0.90 -0.04 -0.10 0.00 0.11 0.00 0.00 31.00 31.86 1k5g h PRO 244 CO 0.74 0.40 0.23 0.09 -0.21 0.00 0.00 178.00 179.24 1k5g n ASN 245 N -4.81 3.66 -4.76 -2.05 3.02 -1.26 -4.49 115.26 104.56 1k5g n ASN 245 Ca -0.04 -2.58 -0.41 0.00 -0.03 0.00 0.00 54.58 51.52 1k5g n ASN 245 Cb 0.15 -0.68 -0.03 0.00 -0.61 0.00 0.00 39.78 38.61 1k5g n ASN 245 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1k5g s LEU 246 N -1.13 4.49 0.00 3.41 2.96 -1.04 -4.11 118.68 123.27 1k5g s LEU 246 Ca 0.19 2.46 0.00 0.00 -0.22 0.00 0.00 54.13 56.57 1k5g s LEU 246 Cb 0.16 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 43.22 1k5g s LEU 246 CO 0.03 -0.34 0.00 0.54 -1.32 0.00 0.00 176.35 175.26 1k5g n ARG 247 N 1.10 2.43 -3.90 1.98 1.74 0.99 -3.53 116.66 117.48 1k5g n ARG 247 Ca -0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.86 1k5g n ARG 247 Cb 0.43 -0.72 -0.17 0.00 -1.02 0.00 0.00 32.46 30.99 1k5g n ARG 247 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1k5g s GLU 248 N -1.20 0.62 -0.29 5.56 2.12 -1.09 -0.62 118.70 123.80 1k5g s GLU 248 Ca 0.00 0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.39 1k5g s GLU 248 Cb 0.00 -0.86 0.08 0.00 0.26 0.00 0.00 34.13 33.61 1k5g s GLU 248 CO 0.00 -0.22 0.03 -1.17 -0.54 0.00 0.00 175.26 173.36 1k5g s LEU 249 N 1.56 3.09 -0.46 2.70 2.96 -0.67 -1.82 118.68 126.04 1k5g s LEU 249 Ca -0.01 -1.61 -0.15 0.00 -0.22 0.00 0.00 54.13 52.14 1k5g s LEU 249 Cb -0.13 -1.20 0.07 0.00 0.50 0.00 0.00 46.19 45.43 1k5g s LEU 249 CO -0.03 -0.34 0.38 -0.83 -1.32 0.00 0.00 176.35 174.20 1k5g s GLY 250 N 1.33 2.04 -0.15 7.98 0.00 -0.72 -0.93 107.32 116.86 1k5g s GLY 250 Ca 0.04 -2.11 0.18 0.00 0.00 0.00 0.00 44.72 42.83 1k5g s GLY 250 CO -0.13 1.04 1.24 1.04 0.00 0.00 0.00 173.10 176.29 1k5g n LEU 251 N 5.16 2.85 -4.73 0.66 4.77 0.52 -1.53 117.00 124.70 1k5g n LEU 251 Ca -0.12 -3.12 -0.42 0.00 -0.03 0.00 0.00 56.01 52.32 1k5g n LEU 251 Cb 0.44 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1k5g n LEU 251 CO 0.46 0.74 1.27 0.59 -1.33 0.00 0.00 177.39 179.12 1k5g n ASN 252 N -1.15 3.81 -0.93 -1.43 5.03 -1.09 -2.61 115.26 116.89 1k5g n ASN 252 Ca 0.18 1.12 -0.09 0.00 0.87 0.00 0.00 54.58 56.66 1k5g n ASN 252 Cb 0.73 -1.57 -0.02 0.00 -1.02 0.00 0.00 39.78 37.90 1k5g n ASN 252 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1k5g n ASP 253 N 2.74 -3.48 -1.21 6.41 10.43 -1.18 -1.17 116.55 129.09 1k5g n ASP 253 Ca 0.11 0.07 0.11 0.00 2.57 0.00 0.00 54.79 57.66 1k5g n ASP 253 Cb 0.36 -2.43 0.26 0.00 1.84 0.00 0.00 41.12 41.15 1k5g n ASP 253 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1k5g n LEU 255 N 1.49 -1.80 -0.36 0.00 4.77 -1.23 -0.08 117.00 119.80 1k5g n LEU 255 Ca 0.21 -1.04 0.26 0.00 -0.03 0.00 0.00 56.01 55.41 1k5g n LEU 255 Cb 0.60 -2.08 0.52 0.00 -2.33 0.00 0.00 43.42 40.14 1k5g n LEU 255 CO 0.16 0.35 1.20 -0.07 -1.33 0.00 0.00 177.39 177.70 1k5g h LEU 256 N -1.63 0.43 0.00 2.23 3.38 -1.84 -1.82 115.31 116.06 1k5g h LEU 256 Ca -0.61 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1k5g h LEU 256 Cb 1.38 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1k5g h LEU 256 CO 0.72 -0.01 0.00 -1.54 0.09 0.00 0.00 178.44 177.70 1k5g n SER 257 N -4.74 -0.26 -0.27 -0.43 3.41 -0.44 -3.47 113.62 107.41 1k5g n SER 257 Ca 0.29 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.99 1k5g n SER 257 Cb 1.01 0.46 0.22 0.00 -0.26 0.00 0.00 64.21 65.64 1k5g n SER 257 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k5g h ALA 258 N 0.00 1.03 -0.26 7.33 0.00 -1.69 0.36 119.26 126.03 1k5g h ALA 258 Ca 0.00 0.22 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1k5g h ALA 258 Cb 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1k5g h ALA 258 CO 0.00 -0.42 -0.33 0.00 0.00 0.00 0.00 179.25 178.50 1k5g h ARG 259 N 0.19 0.55 0.40 0.00 3.08 -1.90 -2.24 114.38 114.46 1k5g h ARG 259 Ca 0.47 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 1k5g h ARG 259 Cb 0.88 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1k5g h ARG 259 CO -0.62 0.81 -0.19 0.78 -1.07 0.00 0.00 179.97 179.67 1k5g h GLY 260 N 1.04 -0.56 0.22 0.04 0.00 -0.42 -2.78 103.07 100.60 1k5g h GLY 260 Ca 0.05 0.21 0.11 0.00 0.00 0.00 0.00 47.33 47.71 1k5g h GLY 260 CO 0.07 -0.21 0.17 0.00 0.00 0.00 0.00 176.54 176.57 1k5g h ALA 261 N -0.50 0.77 -0.91 3.60 0.00 -1.06 0.10 119.26 121.26 1k5g h ALA 261 Ca -0.06 0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.14 1k5g h ALA 261 Cb 0.55 0.14 -0.16 0.00 0.00 0.00 0.00 17.79 18.32 1k5g h ALA 261 CO 0.09 -0.27 -0.29 0.00 0.00 0.00 0.00 179.25 178.78 1k5g h ALA 262 N 1.48 0.41 -0.07 0.00 0.00 -1.31 0.38 119.26 120.14 1k5g h ALA 262 Ca 0.33 0.31 -0.07 0.00 0.00 0.00 0.00 54.91 55.48 1k5g h ALA 262 Cb 0.47 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1k5g h ALA 262 CO -0.38 -0.49 -0.23 0.00 0.00 0.00 0.00 179.25 178.15 1k5g h ALA 263 N 1.67 0.12 -0.60 0.00 0.00 -0.63 -1.90 119.26 117.91 1k5g h ALA 263 Ca 0.39 -0.40 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1k5g h ALA 263 Cb 0.64 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1k5g h ALA 263 CO -0.93 0.10 0.22 0.28 0.00 0.00 0.00 179.25 178.91 1k5g h VAL 264 N -0.23 0.76 0.65 0.00 2.07 0.36 1.20 116.25 121.06 1k5g h VAL 264 Ca -0.01 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1k5g h VAL 264 Cb 0.86 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1k5g h VAL 264 CO 0.05 0.07 -0.40 0.58 0.02 0.00 0.00 177.57 177.89 1k5g h VAL 265 N 0.39 0.19 -0.88 2.57 2.07 -0.34 -1.19 116.25 119.06 1k5g h VAL 265 Ca 0.31 0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.06 1k5g h VAL 265 Cb 0.38 0.19 -0.13 0.00 -1.52 0.00 0.00 31.29 30.21 1k5g h VAL 265 CO -0.31 0.00 0.31 -0.78 0.02 0.00 0.00 177.57 176.80 1k5g h ASP 266 N -0.99 0.14 -0.27 0.57 1.82 -0.30 0.21 116.42 117.60 1k5g h ASP 266 Ca -0.08 0.18 0.06 0.00 -0.39 0.00 0.00 57.03 56.80 1k5g h ASP 266 Cb 0.80 0.21 -0.08 0.00 0.68 0.00 0.00 39.33 40.94 1k5g h ASP 266 CO 0.08 -0.10 -0.30 0.00 -1.61 0.00 0.00 179.24 177.31 1k5g h ALA 267 N 1.75 -0.23 -0.46 -0.78 0.00 0.25 -0.81 119.26 118.98 1k5g h ALA 267 Ca 0.56 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.57 1k5g h ALA 267 Cb 1.11 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 1k5g h ALA 267 CO -0.60 -0.74 0.25 0.74 0.00 0.00 0.00 179.25 178.90 1k5g h PHE 268 N -0.30 0.46 -1.04 0.00 -1.00 0.44 -2.16 116.94 113.33 1k5g h PHE 268 Ca 0.14 0.02 0.40 0.00 2.81 0.00 0.00 57.97 61.34 1k5g h PHE 268 Cb 0.52 -0.14 -0.17 0.00 3.61 0.00 0.00 35.95 39.78 1k5g h PHE 268 CO -0.46 0.24 0.58 1.03 -1.61 0.00 0.00 178.31 178.09 1k5g h SER 269 N 0.49 0.35 1.49 2.17 0.87 0.38 0.54 113.55 119.84 1k5g h SER 269 Ca 0.20 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1k5g h SER 269 Cb 0.08 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1k5g h SER 269 CO -0.12 -0.35 -0.43 0.11 -0.53 0.00 0.00 176.83 175.50 1k5g h LYS 270 N 0.07 0.00 -7.27 2.24 1.57 -1.04 -3.47 116.57 108.67 1k5g h LYS 270 Ca 0.83 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 59.09 1k5g h LYS 270 Cb 2.18 0.00 0.19 0.00 0.08 0.00 0.00 32.23 34.68 1k5g h LYS 270 CO -0.70 0.00 0.23 -0.51 -0.57 0.00 0.00 179.45 177.90 1k5g s LEU 271 N -5.62 2.83 0.23 2.94 1.43 0.19 -5.04 118.68 115.64 1k5g s LEU 271 Ca 0.04 2.14 0.08 0.00 -1.03 0.00 0.00 54.13 55.36 1k5g s LEU 271 Cb 0.08 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.71 1k5g s LEU 271 CO 0.72 -3.01 -0.14 -0.70 0.23 0.00 0.00 176.35 173.44 1k5g s GLU 272 N -4.68 1.44 -1.43 1.70 2.12 -1.26 -4.81 118.70 111.79 1k5g s GLU 272 Ca 0.66 -1.66 -0.13 0.00 0.36 0.00 0.00 54.97 54.20 1k5g s GLU 272 Cb -0.22 -1.27 0.02 0.00 0.26 0.00 0.00 34.13 32.92 1k5g s GLU 272 CO 0.58 0.19 0.26 0.09 -0.54 0.00 0.00 175.26 175.84 1k5g n ASN 273 N -0.47 -0.92 -4.61 -1.70 3.02 -1.26 -4.79 115.26 104.53 1k5g n ASN 273 Ca -0.07 -1.29 -0.43 0.00 -0.03 0.00 0.00 54.58 52.77 1k5g n ASN 273 Cb 0.61 -1.63 -0.02 0.00 -0.61 0.00 0.00 39.78 38.12 1k5g n ASN 273 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1k5g s ILE 274 N -4.07 3.67 -1.04 2.41 1.01 -1.25 -4.85 121.20 117.08 1k5g s ILE 274 Ca 0.18 0.70 0.15 0.00 0.00 0.00 0.00 60.65 61.68 1k5g s ILE 274 Cb -0.10 -3.82 0.64 0.00 0.01 0.00 0.00 42.46 39.19 1k5g s ILE 274 CO 0.99 -0.47 1.52 0.61 0.00 0.00 0.00 174.94 177.59 1k5g n GLY 275 N 5.10 2.43 3.60 6.18 0.00 -1.26 -4.41 105.19 116.82 1k5g n GLY 275 Ca 0.20 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 1k5g n GLY 275 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1k5g n LEU 276 N 0.87 2.04 0.00 0.99 7.94 -1.23 -4.67 117.00 122.94 1k5g n LEU 276 Ca 0.23 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.26 1k5g n LEU 276 Cb 0.84 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.48 1k5g n LEU 276 CO 0.22 -1.41 -0.13 0.00 -1.11 0.00 0.00 177.39 174.96 1k5g n GLN 277 N 0.57 4.18 -3.16 1.96 6.02 0.21 -3.06 117.38 124.10 1k5g n GLN 277 Ca 0.09 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.12 1k5g n GLN 277 Cb 0.34 -0.56 -0.01 0.00 1.02 0.00 0.00 30.24 31.03 1k5g n GLN 277 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1k5g s THR 278 N -1.06 -0.76 -0.28 5.09 -1.32 -0.52 -1.22 115.64 115.58 1k5g s THR 278 Ca 0.00 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.44 1k5g s THR 278 Cb 0.00 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.01 1k5g s THR 278 CO 0.00 0.00 0.02 -0.22 -2.21 0.00 0.00 174.62 172.21 1k5g s LEU 279 N 2.89 3.62 -0.47 9.08 2.96 -0.64 -1.67 118.68 134.44 1k5g s LEU 279 Ca 0.12 -0.85 -0.15 0.00 -0.22 0.00 0.00 54.13 53.04 1k5g s LEU 279 Cb -0.13 -1.78 0.08 0.00 0.50 0.00 0.00 46.19 44.86 1k5g s LEU 279 CO -0.17 -0.18 0.39 -0.13 -1.32 0.00 0.00 176.35 174.93 1k5g s ARG 280 N 1.40 2.94 -0.19 1.98 0.52 -0.11 -2.65 118.95 122.84 1k5g s ARG 280 Ca 0.01 -1.38 0.14 0.00 -0.52 0.00 0.00 55.73 53.98 1k5g s ARG 280 Cb -0.17 -4.11 0.42 0.00 0.52 0.00 0.00 34.95 31.61 1k5g s ARG 280 CO -0.01 -1.04 1.29 1.28 0.02 0.00 0.00 175.30 176.84 1k5g n LEU 281 N 5.18 3.12 -4.22 2.53 4.77 0.43 -0.36 117.00 128.45 1k5g n LEU 281 Ca -0.12 -3.43 -0.29 0.00 -0.03 0.00 0.00 56.01 52.14 1k5g n LEU 281 Cb 0.43 -0.52 0.18 0.00 -2.33 0.00 0.00 43.42 41.18 1k5g n LEU 281 CO 0.47 0.99 -0.36 0.00 -1.33 0.00 0.00 177.39 177.17 1k5g n GLN 282 N -1.11 -2.01 -3.34 3.23 6.02 -0.72 -4.08 117.38 115.37 1k5g n GLN 282 Ca 0.21 -0.58 0.00 0.00 -0.01 0.00 0.00 57.00 56.63 1k5g n GLN 282 Cb 0.79 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 30.38 1k5g n GLN 282 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1k5g n TYR 283 N -4.55 0.00 -1.11 1.08 4.02 -0.98 -3.12 117.16 112.51 1k5g n TYR 283 Ca 0.02 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.99 1k5g n TYR 283 Cb 0.56 0.00 0.10 0.00 -0.02 0.00 0.00 39.34 39.98 1k5g n TYR 283 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1k5g n ASN 284 N 0.83 1.88 -1.18 7.72 3.02 -1.26 -3.47 115.26 122.79 1k5g n ASN 284 Ca 0.00 -2.75 -0.15 0.00 -0.03 0.00 0.00 54.58 51.65 1k5g n ASN 284 Cb 0.00 -0.34 -0.06 0.00 -0.61 0.00 0.00 39.78 38.77 1k5g n ASN 284 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1k5g n GLU 285 N -1.07 -1.58 -1.68 3.52 1.02 -1.26 -1.33 120.64 118.25 1k5g n GLU 285 Ca 0.11 1.01 -0.45 0.00 -0.02 0.00 0.00 57.16 57.81 1k5g n GLU 285 Cb 0.61 -5.39 -0.04 0.00 -0.02 0.00 0.00 31.44 26.60 1k5g n GLU 285 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1k5g n ILE 286 N -2.22 0.08 -3.49 -3.67 5.41 -1.26 -3.35 119.36 110.85 1k5g n ILE 286 Ca -0.15 -0.01 -0.25 0.00 1.00 0.00 0.00 62.75 63.34 1k5g n ILE 286 Cb 0.61 -1.67 -0.02 0.00 -0.71 0.00 0.00 39.64 37.86 1k5g n ILE 286 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1k5g s GLU 287 N 1.35 3.50 0.23 0.38 2.02 -1.26 -1.35 118.70 123.57 1k5g s GLU 287 Ca 0.80 -0.35 -0.16 0.00 0.02 0.00 0.00 54.97 55.28 1k5g s GLU 287 Cb -0.64 -2.71 0.27 0.00 0.10 0.00 0.00 34.13 31.14 1k5g s GLU 287 CO 0.38 0.22 1.56 1.25 0.02 0.00 0.00 175.26 178.69 1k5g h LEU 288 N 1.09 -1.30 -1.49 1.80 7.12 -1.93 -0.17 115.31 120.42 1k5g h LEU 288 Ca -0.49 0.30 0.26 0.00 0.13 0.00 0.00 57.88 58.07 1k5g h LEU 288 Cb 1.21 0.71 -0.08 0.00 -0.53 0.00 0.00 40.66 41.97 1k5g h LEU 288 CO 0.63 -0.30 0.67 0.44 -0.13 0.00 0.00 178.44 179.75 1k5g h ASP 289 N -0.02 0.37 0.03 1.25 5.19 -1.94 0.48 116.42 121.77 1k5g h ASP 289 Ca 0.36 0.06 -0.13 0.00 -0.62 0.00 0.00 57.03 56.69 1k5g h ASP 289 Cb 0.61 -0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.13 1k5g h ASP 289 CO -0.96 0.09 -0.54 0.00 -3.12 0.00 0.00 179.24 174.72 1k5g h ALA 290 N 1.59 0.03 -0.15 3.45 0.00 -1.42 -3.03 119.26 119.72 1k5g h ALA 290 Ca 0.56 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1k5g h ALA 290 Cb 1.52 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1k5g h ALA 290 CO -0.23 0.28 0.04 0.28 0.00 0.00 0.00 179.25 179.63 1k5g h VAL 291 N -0.29 1.08 0.62 0.00 2.07 -0.53 0.49 116.25 119.68 1k5g h VAL 291 Ca -0.08 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1k5g h VAL 291 Cb 1.29 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1k5g h VAL 291 CO 0.10 0.09 -0.35 0.03 0.02 0.00 0.00 177.57 177.46 1k5g h ARG 292 N 0.21 -0.87 -0.48 1.57 2.47 -0.14 -1.85 114.38 115.29 1k5g h ARG 292 Ca 0.05 0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.79 1k5g h ARG 292 Cb 0.08 0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 1k5g h ARG 292 CO -0.00 -0.58 0.12 1.15 0.56 0.00 0.00 179.97 181.21 1k5g h THR 293 N -0.90 1.24 -0.96 2.04 2.02 -1.23 -2.42 112.91 112.70 1k5g h THR 293 Ca -0.08 -0.84 0.19 0.00 0.77 0.00 0.00 66.41 66.46 1k5g h THR 293 Cb 0.72 0.87 -0.09 0.00 -1.74 0.00 0.00 68.15 67.91 1k5g h THR 293 CO 0.10 0.30 0.61 0.25 0.37 0.00 0.00 175.52 177.15 1k5g h LEU 294 N 0.65 0.61 0.31 2.58 5.85 0.03 -0.65 115.31 124.70 1k5g h LEU 294 Ca 0.15 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1k5g h LEU 294 Cb 0.33 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1k5g h LEU 294 CO 0.00 0.24 -0.16 0.50 -0.34 0.00 0.00 178.44 178.68 1k5g h LYS 295 N 0.61 -0.41 -1.00 1.25 3.64 -0.82 0.06 116.57 119.91 1k5g h LYS 295 Ca 0.52 0.03 0.26 0.00 -1.27 0.00 0.00 60.65 60.19 1k5g h LYS 295 Cb 1.01 0.09 -0.13 0.00 -0.41 0.00 0.00 32.23 32.79 1k5g h LYS 295 CO -0.27 -0.27 0.57 1.79 -2.27 0.00 0.00 179.45 179.00 1k5g h THR 296 N -0.43 0.48 -0.13 1.00 1.35 -1.39 0.23 112.91 114.02 1k5g h THR 296 Ca -0.04 -0.18 -0.01 0.00 -0.55 0.00 0.00 66.41 65.63 1k5g h THR 296 Cb 0.33 -0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 66.67 1k5g h THR 296 CO 0.06 0.09 0.05 0.58 -0.25 0.00 0.00 175.52 176.06 1k5g h VAL 297 N 0.51 1.16 -0.94 6.82 2.07 -0.96 0.18 116.25 125.09 1k5g h VAL 297 Ca 0.66 -0.48 0.09 0.00 0.82 0.00 0.00 66.70 67.79 1k5g h VAL 297 Cb 1.31 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 32.24 1k5g h VAL 297 CO -0.51 0.15 0.59 0.40 0.02 0.00 0.00 177.57 178.21 1k5g h ILE 298 N 0.05 0.98 0.54 4.57 2.04 0.14 0.19 117.51 126.02 1k5g h ILE 298 Ca 0.04 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 1k5g h ILE 298 Cb 0.18 -0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.17 1k5g h ILE 298 CO -0.00 0.18 -0.26 -0.78 0.00 0.00 0.00 178.15 177.29 1k5g h ASP 299 N 1.00 -0.61 0.12 1.72 3.58 -0.51 -2.47 116.42 119.25 1k5g h ASP 299 Ca 0.44 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.90 1k5g h ASP 299 Cb 0.32 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1k5g h ASP 299 CO -0.22 -0.30 -0.06 -0.33 -2.88 0.00 0.00 179.24 175.45 1k5g h GLU 300 N -1.00 -0.16 -0.02 0.28 5.08 -0.53 -3.39 114.58 114.84 1k5g h GLU 300 Ca -0.07 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1k5g h GLU 300 Cb 0.55 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1k5g h GLU 300 CO 0.12 0.15 -0.17 1.63 -1.00 0.00 0.00 179.01 179.73 1k5g n LYS 301 N -5.02 1.52 -2.64 2.33 5.02 0.65 -4.71 118.16 115.30 1k5g n LYS 301 Ca -0.09 -1.10 -0.30 0.00 -2.02 0.00 0.00 58.31 54.80 1k5g n LYS 301 Cb 0.20 -1.28 -0.01 0.00 -0.02 0.00 0.00 35.03 33.92 1k5g n LYS 301 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1k5g n MET 302 N 0.35 3.50 0.26 1.97 2.81 -0.93 -3.88 117.12 121.20 1k5g n MET 302 Ca 0.08 -4.59 0.08 0.00 -1.81 0.00 0.00 57.70 51.46 1k5g n MET 302 Cb 0.36 -2.27 0.45 0.00 -0.71 0.00 0.00 33.22 31.05 1k5g n MET 302 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1k5g h PRO 303 N 2.96 0.00 -0.11 0.03 0.13 -1.77 -2.08 132.00 131.15 1k5g h PRO 303 Ca 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.41 1k5g h PRO 303 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1k5g h PRO 303 CO 0.93 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.45 1k5g n ASP 304 N -2.43 2.60 -4.68 1.44 8.00 -1.26 -4.99 116.55 115.24 1k5g n ASP 304 Ca -0.01 -1.76 -0.47 0.00 0.71 0.00 0.00 54.79 53.25 1k5g n ASP 304 Cb 0.50 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.49 1k5g n ASP 304 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1k5g n LEU 305 N 0.98 3.33 -0.01 0.64 7.94 -0.78 -4.52 117.00 124.57 1k5g n LEU 305 Ca 0.11 1.01 0.01 0.00 -1.11 0.00 0.00 56.01 56.03 1k5g n LEU 305 Cb 0.44 -1.40 -0.05 0.00 0.53 0.00 0.00 43.42 42.95 1k5g n LEU 305 CO 0.11 -0.14 -0.63 0.18 -1.11 0.00 0.00 177.39 175.80 1k5g n LEU 306 N 5.43 0.00 -3.92 -1.96 4.77 -0.35 -4.37 117.00 116.59 1k5g n LEU 306 Ca 0.20 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.03 1k5g n LEU 306 Cb 0.29 0.06 -0.15 0.00 -2.33 0.00 0.00 43.42 41.30 1k5g n LEU 306 CO 0.69 0.06 -0.39 -0.36 -1.33 0.00 0.00 177.39 176.07 1k5g s PHE 307 N -2.33 0.35 0.10 -1.77 0.40 -1.15 -2.91 117.98 110.65 1k5g s PHE 307 Ca -0.03 -0.06 0.03 0.00 -0.60 0.00 0.00 56.93 56.27 1k5g s PHE 307 Cb 0.03 -0.26 -0.04 0.00 0.51 0.00 0.00 43.02 43.27 1k5g s PHE 307 CO 0.26 -0.03 -0.08 -1.17 0.70 0.00 0.00 175.22 174.90 1k5g s LEU 308 N 0.10 2.44 -0.27 -0.37 2.96 -0.76 -1.62 118.68 121.17 1k5g s LEU 308 Ca -0.01 -0.88 -0.01 0.00 -0.22 0.00 0.00 54.13 53.01 1k5g s LEU 308 Cb -0.04 -0.20 0.15 0.00 0.50 0.00 0.00 46.19 46.60 1k5g s LEU 308 CO -0.00 -0.34 0.44 -1.61 -1.32 0.00 0.00 176.35 173.52 1k5g s GLU 309 N -3.16 0.42 0.00 1.98 2.02 -1.09 -2.92 118.70 115.95 1k5g s GLU 309 Ca 0.07 0.57 0.00 0.00 0.02 0.00 0.00 54.97 55.63 1k5g s GLU 309 Cb 0.00 -0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.05 1k5g s GLU 309 CO -0.02 -0.73 0.43 1.28 0.02 0.00 0.00 175.26 176.24 1k5g n LEU 310 N 5.38 0.85 -4.62 1.80 4.77 -1.26 -0.42 117.00 123.50 1k5g n LEU 310 Ca -0.02 -0.89 -0.49 0.00 -0.03 0.00 0.00 56.01 54.58 1k5g n LEU 310 Cb 0.50 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1k5g n LEU 310 CO 0.03 0.21 0.97 -3.20 -1.33 0.00 0.00 177.39 174.08 1k5g n ASN 311 N -0.08 2.13 0.00 -1.43 5.15 -1.26 -2.68 115.26 117.08 1k5g n ASN 311 Ca 0.00 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 55.09 1k5g n ASN 311 Cb 0.02 -1.28 0.00 0.00 -0.53 0.00 0.00 39.78 37.98 1k5g n ASN 311 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1k5g n GLY 312 N 2.69 1.15 0.00 8.20 0.00 -1.26 -2.32 105.19 113.64 1k5g n GLY 312 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1k5g n GLY 312 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k5g n ASN 313 N 0.00 -0.03 -3.67 1.61 3.02 -1.09 -3.28 115.26 111.81 1k5g n ASN 313 Ca 0.00 -0.22 -0.39 0.00 -0.03 0.00 0.00 54.58 53.95 1k5g n ASN 313 Cb 0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1k5g n ASN 313 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1k5g n ARG 314 N -0.25 4.50 -3.64 3.52 1.74 -0.46 0.05 116.66 122.11 1k5g n ARG 314 Ca 0.00 -4.65 -0.06 0.00 -0.77 0.00 0.00 57.85 52.36 1k5g n ARG 314 Cb 0.00 -2.43 -0.07 0.00 -1.02 0.00 0.00 32.46 28.94 1k5g n ARG 314 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1k5g s PHE 315 N -3.44 -0.89 0.32 -1.55 -0.12 -1.26 -3.57 117.98 107.47 1k5g s PHE 315 Ca 0.37 1.81 -0.28 0.00 -0.05 0.00 0.00 56.93 58.79 1k5g s PHE 315 Cb 0.14 0.52 -0.13 0.00 -0.63 0.00 0.00 43.02 42.92 1k5g s PHE 315 CO -0.02 -0.44 1.11 0.45 -0.05 0.00 0.00 175.22 176.27 1k5g n SER 316 N 3.94 1.82 0.25 1.98 2.88 -1.26 -4.85 113.62 118.37 1k5g n SER 316 Ca -0.19 1.18 0.17 0.00 -1.33 0.00 0.00 58.87 58.70 1k5g n SER 316 Cb 0.58 -1.36 0.86 0.00 -0.75 0.00 0.00 64.21 63.54 1k5g n SER 316 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1k5g h GLU 317 N 2.15 0.00 0.00 -1.46 4.22 -2.00 -2.90 114.58 114.60 1k5g h GLU 317 Ca -0.42 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.01 1k5g h GLU 317 Cb 1.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.57 1k5g h GLU 317 CO 0.61 0.00 -0.03 0.93 -2.18 0.00 0.00 179.01 178.34 1k5g h GLU 318 N 0.00 0.00 0.00 1.92 4.39 -1.96 -3.47 114.58 115.46 1k5g h GLU 318 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1k5g h GLU 318 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1k5g h GLU 318 CO 0.00 0.42 0.00 -0.25 -1.16 0.00 0.00 179.01 178.02 1k5g n ASP 319 N -4.70 0.00 -0.28 1.42 10.43 -1.10 -4.70 116.55 117.62 1k5g n ASP 319 Ca -0.05 0.00 -0.07 0.00 2.57 0.00 0.00 54.79 57.24 1k5g n ASP 319 Cb 0.21 0.00 -0.07 0.00 1.84 0.00 0.00 41.12 43.10 1k5g n ASP 319 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1k5g n ASP 320 N 0.00 -0.70 -0.26 -2.24 8.00 -1.26 -1.64 116.55 118.45 1k5g n ASP 320 Ca 0.00 1.23 0.19 0.00 0.71 0.00 0.00 54.79 56.92 1k5g n ASP 320 Cb 0.00 -0.18 0.36 0.00 -0.02 0.00 0.00 41.12 41.28 1k5g n ASP 320 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1k5g n VAL 321 N -4.72 -0.33 0.05 2.53 0.24 -1.26 -1.24 118.33 113.60 1k5g n VAL 321 Ca 0.01 1.65 -0.08 0.00 -2.04 0.00 0.00 64.34 63.89 1k5g n VAL 321 Cb 0.17 -2.56 -0.05 0.00 -1.47 0.00 0.00 33.84 29.93 1k5g n VAL 321 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1k5g h VAL 322 N 0.00 0.00 -0.98 3.34 2.07 -1.59 0.13 116.25 119.22 1k5g h VAL 322 Ca 0.58 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.26 1k5g h VAL 322 Cb 1.42 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.10 1k5g h VAL 322 CO -0.66 0.00 0.61 0.44 0.02 0.00 0.00 177.57 177.98 1k5g h ASP 323 N -0.35 0.79 -0.60 0.57 3.32 -1.35 0.11 116.42 118.92 1k5g h ASP 323 Ca -0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1k5g h ASP 323 Cb 0.35 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1k5g h ASP 323 CO -0.13 0.36 0.38 -0.33 -1.72 0.00 0.00 179.24 177.79 1k5g h GLU 324 N 0.81 0.81 0.18 3.56 5.08 -0.92 0.39 114.58 124.49 1k5g h GLU 324 Ca 0.52 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.81 1k5g h GLU 324 Cb 0.74 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1k5g h GLU 324 CO -0.29 0.56 -0.08 0.82 -1.00 0.00 0.00 179.01 179.01 1k5g h ILE 325 N 0.83 0.82 -0.93 3.13 2.04 0.16 -1.92 117.51 121.64 1k5g h ILE 325 Ca 0.22 -1.08 0.17 0.00 1.00 0.00 0.00 64.86 65.18 1k5g h ILE 325 Cb -0.06 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 37.31 1k5g h ILE 325 CO -0.04 0.21 0.60 0.03 0.00 0.00 0.00 178.15 178.94 1k5g h ARG 326 N -0.85 0.62 -0.43 2.37 2.47 -0.82 0.47 114.38 118.20 1k5g h ARG 326 Ca -0.02 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.63 1k5g h ARG 326 Cb 0.52 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 1k5g h ARG 326 CO 0.04 0.41 0.17 1.49 0.56 0.00 0.00 179.97 182.64 1k5g h GLU 327 N 0.64 0.64 -0.80 0.04 4.22 -0.18 -2.43 114.58 116.71 1k5g h GLU 327 Ca 0.49 -0.12 0.10 0.00 0.08 0.00 0.00 59.36 59.92 1k5g h GLU 327 Cb 0.90 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.97 1k5g h GLU 327 CO -0.24 0.59 0.44 0.28 -2.18 0.00 0.00 179.01 177.90 1k5g h VAL 328 N 0.54 0.86 -0.08 0.32 2.07 -0.07 -0.58 116.25 119.31 1k5g h VAL 328 Ca 0.14 -0.25 -0.13 0.00 0.82 0.00 0.00 66.70 67.29 1k5g h VAL 328 Cb 0.20 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1k5g h VAL 328 CO -0.01 0.13 -0.52 -0.26 0.02 0.00 0.00 177.57 176.93 1k5g h PHE 329 N 0.72 0.28 0.41 1.57 0.05 -1.35 -2.80 116.94 115.80 1k5g h PHE 329 Ca 0.40 -0.09 -0.02 0.00 3.82 0.00 0.00 57.97 62.07 1k5g h PHE 329 Cb 0.41 -0.05 0.00 0.00 2.00 0.00 0.00 35.95 38.31 1k5g h PHE 329 CO -0.08 0.70 -0.20 0.77 -0.18 0.00 0.00 178.31 179.33 1k5g h SER 330 N 0.18 -0.46 -0.70 2.17 0.02 -0.66 0.26 113.55 114.36 1k5g h SER 330 Ca 0.00 -0.07 0.11 0.00 -0.84 0.00 0.00 61.79 60.99 1k5g h SER 330 Cb 0.98 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.59 1k5g h SER 330 CO 0.08 -0.20 0.47 0.74 -1.14 0.00 0.00 176.83 176.78 1k5g h THR 331 N -0.72 0.89 0.06 -2.27 2.02 -1.25 -1.78 112.91 109.86 1k5g h THR 331 Ca -0.06 -0.18 -0.24 0.00 0.77 0.00 0.00 66.41 66.70 1k5g h THR 331 Cb 0.51 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1k5g h THR 331 CO 0.09 0.10 -1.06 0.03 0.37 0.00 0.00 175.52 175.05 1k5g h ARG 332 N 0.53 0.29 0.00 6.66 3.08 -1.28 -3.47 114.38 120.19 1k5g h ARG 332 Ca 0.33 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1k5g h ARG 332 Cb 0.57 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1k5g h ARG 332 CO -0.11 1.12 0.00 0.41 -1.07 0.00 0.00 179.97 180.32 1k5g n GLY 333 N 1.20 1.18 2.69 0.04 0.00 0.90 -4.99 105.19 106.21 1k5g n GLY 333 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 1k5g n GLY 333 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k5g s ARG 334 N -0.54 0.23 0.00 1.61 3.52 -1.08 -4.99 118.95 117.70 1k5g s ARG 334 Ca 0.00 0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.71 1k5g s ARG 334 Cb 0.00 -1.12 0.00 0.00 -1.56 0.00 0.00 34.95 32.27 1k5g s ARG 334 CO 0.00 -0.44 0.00 0.41 -0.81 0.00 0.00 175.30 174.46 1k5g n GLY 335 N 5.22 -0.35 0.00 8.12 0.00 -1.26 -4.71 105.19 112.21 1k5g n GLY 335 Ca -0.06 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1k5g n GLY 335 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1k5g n GLU 336 N -0.78 0.00 -3.29 1.61 2.13 -1.15 -4.92 120.64 114.24 1k5g n GLU 336 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 1k5g n GLU 336 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 1k5g n GLU 336 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1k5g s LEU 337 N 0.00 4.08 0.87 4.31 2.96 -1.26 -1.83 118.68 127.81 1k5g s LEU 337 Ca 0.00 0.94 -0.11 0.00 -0.22 0.00 0.00 54.13 54.73 1k5g s LEU 337 Cb 0.00 -3.74 0.16 0.00 0.50 0.00 0.00 46.19 43.11 1k5g s LEU 337 CO 0.00 -0.16 1.21 1.51 -1.32 0.00 0.00 176.35 177.58 1k5g s ASP 338 N -2.66 3.67 -0.28 3.68 -4.77 -1.15 -4.93 116.67 110.23 1k5g s ASP 338 Ca 0.48 0.19 -0.25 0.00 -3.30 0.00 0.00 52.55 49.66 1k5g s ASP 338 Cb -0.11 -0.40 0.00 0.00 -1.09 0.00 0.00 42.92 41.32 1k5g s ASP 338 CO 0.24 -2.36 0.87 -1.61 0.70 0.00 0.00 175.17 173.01 1k5g s GLU 339 N -5.64 4.08 -0.89 2.11 0.41 -1.26 -4.90 118.70 112.61 1k5g s GLU 339 Ca 0.70 0.85 -0.06 0.00 -0.41 0.00 0.00 54.97 56.05 1k5g s GLU 339 Cb -0.05 -3.69 -0.00 0.00 -1.78 0.00 0.00 34.13 28.60 1k5g s GLU 339 CO 0.50 -0.66 2.82 1.28 -0.49 0.00 0.00 175.26 178.71 1k5g n LEU 340 N 6.26 7.24 -1.43 1.80 4.77 -1.26 -4.72 117.00 129.65 1k5g n LEU 340 Ca 0.06 -4.26 -0.08 0.00 -0.03 0.00 0.00 56.01 51.70 1k5g n LEU 340 Cb 0.48 -1.37 0.05 0.00 -2.33 0.00 0.00 43.42 40.25 1k5g n LEU 340 CO 0.51 1.91 0.80 -0.90 -1.33 0.00 0.00 177.39 178.37 1k5g n ASP 341 N 1.94 3.60 -0.80 -1.43 5.68 -1.26 -4.22 116.55 120.06 1k5g n ASP 341 Ca 0.58 -2.55 -0.04 0.00 -0.50 0.00 0.00 54.79 52.28 1k5g n ASP 341 Cb 0.45 -0.67 -0.04 0.00 -1.14 0.00 0.00 41.12 39.72 1k5g n ASP 341 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1k5g n ASP 342 N 0.08 -0.63 -4.50 -1.12 2.03 -1.26 -5.06 116.55 106.09 1k5g n ASP 342 Ca 0.19 -1.52 -0.43 0.00 0.52 0.00 0.00 54.79 53.55 1k5g n ASP 342 Cb 0.83 0.19 -0.00 0.00 -0.72 0.00 0.00 41.12 41.42 1k5g n ASP 342 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1k5g n MET 343 N 0.00 0.78 -1.67 -0.67 2.81 -1.26 -4.33 117.12 112.78 1k5g n MET 343 Ca -0.18 0.28 -0.31 0.00 -1.81 0.00 0.00 57.70 55.68 1k5g n MET 343 Cb 0.59 -1.59 0.04 0.00 -0.71 0.00 0.00 33.22 31.55 1k5g n MET 343 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1k5g s GLU 344 N -1.56 2.99 0.00 0.03 2.12 0.11 -4.95 118.70 117.43 1k5g s GLU 344 Ca 0.62 1.03 0.00 0.00 0.36 0.00 0.00 54.97 56.98 1k5g s GLU 344 Cb -0.66 -1.99 0.00 0.00 0.26 0.00 0.00 34.13 31.74 1k5g s GLU 344 CO 0.58 -1.06 0.00 0.39 -0.54 0.00 0.00 175.26 174.63