#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 3.03 -0.11 0.00 3.52 -1.26 0.70 118.95 124.82 1k5g s ARG 3 Ca 0.00 -0.85 0.01 0.00 -0.13 0.00 0.00 55.73 54.76 1k5g s ARG 3 Cb 0.00 -2.45 -0.02 0.00 -1.56 0.00 0.00 34.95 30.92 1k5g s ARG 3 CO 0.00 -0.02 -0.13 0.12 -0.81 0.00 0.00 175.30 174.46 1k5g s PHE 4 N 0.83 2.80 -0.21 5.12 5.36 -0.05 -5.00 117.98 126.84 1k5g s PHE 4 Ca -0.07 -0.48 -0.20 0.00 -0.96 0.00 0.00 56.93 55.23 1k5g s PHE 4 Cb -0.15 -1.79 0.06 0.00 -0.34 0.00 0.00 43.02 40.79 1k5g s PHE 4 CO -0.02 -0.08 0.57 0.45 -1.46 0.00 0.00 175.22 174.68 1k5g s SER 5 N 0.04 -0.59 -0.12 6.13 0.15 -1.26 -0.61 113.70 117.44 1k5g s SER 5 Ca -0.04 1.13 0.15 0.00 0.70 0.00 0.00 55.95 57.88 1k5g s SER 5 Cb -0.14 1.14 0.33 0.00 -1.71 0.00 0.00 66.02 65.64 1k5g s SER 5 CO 0.04 -0.21 1.16 2.30 1.20 0.00 0.00 173.24 177.73 1k5g n ILE 6 N 2.69 1.36 -1.64 6.45 -5.35 -0.99 -5.00 119.36 116.89 1k5g n ILE 6 Ca -0.14 -2.08 -0.56 0.00 -0.27 0.00 0.00 62.75 59.70 1k5g n ILE 6 Cb 0.56 0.12 -0.07 0.00 -1.74 0.00 0.00 39.64 38.52 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 -0.71 1.00 -0.73 6.28 2.13 -1.25 -1.62 120.64 125.74 1k5g n GLU 7 Ca 0.13 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.31 1k5g n GLU 7 Cb 0.78 -2.00 0.00 0.00 0.27 0.00 0.00 31.44 30.48 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 3.17 0.37 0.00 8.31 0.00 -0.86 -4.82 105.19 111.37 1k5g n GLY 8 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.84 0.33 -4.09 1.61 5.02 -0.64 -4.84 118.16 113.69 1k5g n LYS 9 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 1k5g n LYS 9 Cb 0.03 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 33.57 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 -0.95 -2.09 -4.79 4.39 7.64 -0.44 -4.91 113.62 112.48 1k5g n SER 10 Ca 0.07 -1.18 -0.37 0.00 1.01 0.00 0.00 58.87 58.39 1k5g n SER 10 Cb 0.03 -1.43 -0.06 0.00 -1.01 0.00 0.00 64.21 61.73 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 -7.18 4.36 -1.22 -3.43 1.43 -1.24 -4.96 118.68 106.44 1k5g s LEU 11 Ca 0.29 0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 54.04 1k5g s LEU 11 Cb -0.16 -2.49 0.19 0.00 0.03 0.00 0.00 46.19 43.75 1k5g s LEU 11 CO 0.89 0.21 1.59 1.17 0.23 0.00 0.00 176.35 180.45 1k5g n LYS 12 N 2.68 3.56 -2.55 1.70 4.81 -1.26 -1.06 118.16 126.04 1k5g n LYS 12 Ca -0.13 -3.82 -0.41 0.00 -0.87 0.00 0.00 58.31 53.09 1k5g n LYS 12 Cb 0.52 -2.92 -0.03 0.00 0.02 0.00 0.00 35.03 32.62 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 0.36 3.41 -0.17 3.14 1.43 -0.40 -4.83 118.68 121.63 1k5g s LEU 13 Ca 0.40 -1.18 -0.21 0.00 -1.03 0.00 0.00 54.13 52.11 1k5g s LEU 13 Cb 0.02 -2.57 -0.22 0.00 0.03 0.00 0.00 46.19 43.45 1k5g s LEU 13 CO 0.00 -1.61 0.39 0.44 0.23 0.00 0.00 176.35 175.80 1k5g h ASP 14 N 9.90 0.11 0.00 2.29 3.32 -1.93 0.24 116.42 130.36 1k5g h ASP 14 Ca 0.08 -0.69 0.00 0.00 0.02 0.00 0.00 57.03 56.43 1k5g h ASP 14 Cb 1.02 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1k5g h ASP 14 CO 1.39 1.46 -0.65 0.00 -1.72 0.00 0.00 179.24 179.73 1k5g n ALA 15 N -3.16 3.00 -2.18 3.45 0.00 -1.26 -1.81 120.51 118.55 1k5g n ALA 15 Ca -0.27 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.14 1k5g n ALA 15 Cb 0.72 0.39 0.00 0.00 0.00 0.00 0.00 19.45 20.56 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 -3.10 -6.39 0.00 0.00 5.41 -1.26 -3.22 119.36 110.80 1k5g n ILE 16 Ca 0.00 0.37 0.00 0.00 1.00 0.00 0.00 62.75 64.12 1k5g n ILE 16 Cb 0.32 -5.58 0.00 0.00 -0.71 0.00 0.00 39.64 33.67 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 -0.54 0.00 -1.20 1.39 -2.24 -1.26 -4.91 114.28 105.52 1k5g n THR 17 Ca 0.05 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.54 1k5g n THR 17 Cb 0.26 0.00 0.17 0.00 -2.10 0.00 0.00 70.33 68.66 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 -0.80 2.19 0.11 4.28 -1.32 -1.26 -4.94 115.64 113.90 1k5g s THR 18 Ca 0.00 0.06 -0.28 0.00 -1.21 0.00 0.00 61.69 60.26 1k5g s THR 18 Cb 0.00 -2.57 -0.10 0.00 -1.51 0.00 0.00 72.50 68.32 1k5g s THR 18 CO 0.00 -0.08 1.63 -0.08 -2.21 0.00 0.00 174.62 173.88 1k5g h GLU 19 N -1.80 -0.51 0.00 7.08 4.22 -2.00 -3.24 114.58 118.32 1k5g h GLU 19 Ca -0.53 0.03 -0.14 0.00 0.08 0.00 0.00 59.36 58.80 1k5g h GLU 19 Cb 1.32 0.12 0.07 0.00 0.50 0.00 0.00 28.75 30.76 1k5g h GLU 19 CO 0.57 -0.34 0.04 -0.25 -2.18 0.00 0.00 179.01 176.85 1k5g n ASP 20 N -5.40 -1.45 0.00 1.04 9.92 -1.26 -2.76 116.55 116.64 1k5g n ASP 20 Ca -0.07 -0.71 0.00 0.00 -0.53 0.00 0.00 54.79 53.47 1k5g n ASP 20 Cb 0.31 -0.35 0.00 0.00 -0.64 0.00 0.00 41.12 40.43 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 -2.70 0.00 0.08 -1.24 1.02 -1.26 -4.03 120.64 112.51 1k5g n GLU 21 Ca 0.05 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.10 1k5g n GLU 21 Cb 0.21 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.62 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 0.21 -0.59 3.49 1.57 -1.57 -2.99 116.57 116.69 1k5g h LYS 22 Ca 0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1k5g h LYS 22 Cb 0.00 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1k5g h LYS 22 CO 0.00 0.96 0.38 0.66 -0.57 0.00 0.00 179.45 180.87 1k5g h SER 23 N 0.12 0.68 -0.71 0.86 4.64 -1.65 -1.52 113.55 115.96 1k5g h SER 23 Ca -0.04 -0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.32 1k5g h SER 23 Cb 1.50 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 63.36 1k5g h SER 23 CO 0.13 0.51 0.39 0.58 -0.87 0.00 0.00 176.83 177.57 1k5g h VAL 24 N 0.80 0.93 -0.90 0.95 2.07 -1.85 -1.01 116.25 117.25 1k5g h VAL 24 Ca 0.21 -0.24 -0.54 0.00 0.82 0.00 0.00 66.70 66.95 1k5g h VAL 24 Cb -0.07 0.18 -0.27 0.00 -1.52 0.00 0.00 31.29 29.61 1k5g h VAL 24 CO -0.04 0.13 0.69 0.49 0.02 0.00 0.00 177.57 178.86 1k5g n PHE 25 N -4.79 2.86 0.21 1.57 3.01 -0.60 -4.50 117.46 115.21 1k5g n PHE 25 Ca 0.10 -2.28 -0.12 0.00 1.01 0.00 0.00 57.45 56.16 1k5g n PHE 25 Cb 0.21 -1.12 -0.07 0.00 -0.01 0.00 0.00 39.48 38.49 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 1.50 -0.57 -0.55 4.37 0.00 -0.88 -2.12 119.26 121.00 1k5g h ALA 26 Ca 0.57 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.45 1k5g h ALA 26 Cb 1.77 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 1k5g h ALA 26 CO 1.22 -0.60 0.82 0.28 0.00 0.00 0.00 179.25 180.98 1k5g h VAL 27 N -1.01 0.12 0.02 0.00 2.07 -1.80 0.60 116.25 116.25 1k5g h VAL 27 Ca -0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1k5g h VAL 27 Cb 0.55 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1k5g h VAL 27 CO 0.10 0.00 -0.14 0.25 0.02 0.00 0.00 177.57 177.79 1k5g h LEU 28 N 0.00 0.05 -0.05 2.57 7.12 -1.79 -3.21 115.31 120.00 1k5g h LEU 28 Ca 0.26 -0.98 -0.00 0.00 0.13 0.00 0.00 57.88 57.29 1k5g h LEU 28 Cb 1.91 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 42.02 1k5g h LEU 28 CO -0.00 1.06 0.03 -0.07 -0.13 0.00 0.00 178.44 179.33 1k5g h LEU 29 N -0.93 0.06 0.06 2.25 3.38 0.83 -3.34 115.31 117.63 1k5g h LEU 29 Ca -0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1k5g h LEU 29 Cb 1.08 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1k5g h LEU 29 CO 0.01 0.13 -0.03 1.05 0.09 0.00 0.00 178.44 179.69 1k5g h GLU 30 N -0.01 -0.08 -5.91 1.13 4.11 -1.42 -3.42 114.58 108.98 1k5g h GLU 30 Ca 0.02 0.01 -0.61 0.00 0.07 0.00 0.00 59.36 58.84 1k5g h GLU 30 Cb 0.08 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.24 1k5g h GLU 30 CO -0.00 0.32 0.46 0.34 0.07 0.00 0.00 179.01 180.19 1k5g s ASP 31 N -5.51 6.54 0.02 3.06 -1.08 -1.21 -4.89 116.67 113.59 1k5g s ASP 31 Ca -0.15 0.28 0.24 0.00 -0.52 0.00 0.00 52.55 52.39 1k5g s ASP 31 Cb 0.02 -2.42 0.25 0.00 -1.46 0.00 0.00 42.92 39.31 1k5g s ASP 31 CO 0.64 -0.85 1.22 0.47 0.52 0.00 0.00 175.17 177.18 1k5g n ASP 32 N 6.68 0.64 -2.53 -0.34 8.00 -1.26 -4.28 116.55 123.46 1k5g n ASP 32 Ca 0.04 -0.38 -0.30 0.00 0.71 0.00 0.00 54.79 54.87 1k5g n ASP 32 Cb 0.48 0.51 -0.01 0.00 -0.02 0.00 0.00 41.12 42.08 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 -1.63 6.82 -4.83 -2.24 2.88 -1.26 -4.32 113.62 109.05 1k5g n SER 33 Ca 0.04 -3.39 -0.38 0.00 -1.33 0.00 0.00 58.87 53.81 1k5g n SER 33 Cb 0.36 -1.16 -0.06 0.00 -0.75 0.00 0.00 64.21 62.60 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 -3.14 4.92 -0.16 2.46 1.01 -1.26 -4.63 120.40 119.60 1k5g s VAL 34 Ca 0.55 0.98 0.10 0.00 0.00 0.00 0.00 61.98 63.61 1k5g s VAL 34 Cb 0.39 -3.78 -0.17 0.00 0.00 0.00 0.00 36.38 32.82 1k5g s VAL 34 CO -0.24 0.56 -0.01 0.29 0.00 0.00 0.00 175.10 175.71 1k5g n LYS 35 N 1.76 1.30 -4.33 2.72 5.02 0.22 -2.10 118.16 122.74 1k5g n LYS 35 Ca -0.12 0.02 -0.23 0.00 -2.02 0.00 0.00 58.31 55.96 1k5g n LYS 35 Cb 0.52 -1.38 -0.17 0.00 -0.02 0.00 0.00 35.03 33.98 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 -2.36 1.31 -0.11 1.97 2.12 -0.95 0.13 118.70 120.80 1k5g s GLU 36 Ca -0.12 -0.26 0.02 0.00 0.36 0.00 0.00 54.97 54.97 1k5g s GLU 36 Cb 0.05 -1.19 -0.00 0.00 0.26 0.00 0.00 34.13 33.25 1k5g s GLU 36 CO 0.56 -0.05 -0.20 0.42 -0.54 0.00 0.00 175.26 175.44 1k5g s ILE 37 N 0.90 2.40 -0.12 -3.70 1.01 -0.26 -0.87 121.20 120.56 1k5g s ILE 37 Ca -0.11 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1k5g s ILE 37 Cb -0.15 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.38 1k5g s ILE 37 CO 0.01 0.55 -0.17 -0.69 0.00 0.00 0.00 174.94 174.63 1k5g s VAL 38 N 0.39 1.70 -0.29 2.92 1.01 0.22 -0.71 120.40 125.64 1k5g s VAL 38 Ca -0.15 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1k5g s VAL 38 Cb -0.17 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1k5g s VAL 38 CO 0.07 0.48 0.28 0.18 0.00 0.00 0.00 175.10 176.11 1k5g n LEU 39 N 4.23 0.44 -4.21 3.92 4.77 -0.29 -2.35 117.00 123.51 1k5g n LEU 39 Ca -0.19 -0.60 -0.40 0.00 -0.03 0.00 0.00 56.01 54.79 1k5g n LEU 39 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1k5g n LEU 39 CO 0.25 0.10 -0.55 -1.20 -1.33 0.00 0.00 177.39 174.66 1k5g n SER 40 N -0.83 -3.28 -0.19 -1.43 7.64 -1.24 -3.64 113.62 110.65 1k5g n SER 40 Ca 0.01 0.71 -0.02 0.00 1.01 0.00 0.00 58.87 60.59 1k5g n SER 40 Cb 0.08 -0.85 -0.00 0.00 -1.01 0.00 0.00 64.21 62.43 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 2.40 0.32 3.36 0.23 0.00 -0.09 -2.02 105.19 109.39 1k5g n GLY 41 Ca 0.09 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.93 0.01 -0.35 1.61 0.01 -1.24 -1.33 114.94 110.73 1k5g s ASN 42 Ca 0.00 -0.84 -0.05 0.00 -0.71 0.00 0.00 52.86 51.26 1k5g s ASN 42 Cb 0.00 0.45 0.06 0.00 0.41 0.00 0.00 41.25 42.17 1k5g s ASN 42 CO 0.00 -0.92 0.11 0.42 -1.51 0.00 0.00 177.10 175.21 1k5g s THR 43 N -3.96 3.55 -0.26 1.60 -4.23 -0.22 -3.51 115.64 108.61 1k5g s THR 43 Ca 0.17 -1.39 -0.15 0.00 -1.18 0.00 0.00 61.69 59.14 1k5g s THR 43 Cb 0.03 -3.11 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 1k5g s THR 43 CO 0.00 -0.29 0.40 -0.63 -0.54 0.00 0.00 174.62 173.56 1k5g s ILE 44 N 1.32 5.16 0.83 2.99 1.01 -0.10 -1.27 121.20 131.14 1k5g s ILE 44 Ca -0.00 0.63 -0.11 0.00 0.00 0.00 0.00 60.65 61.17 1k5g s ILE 44 Cb -0.21 -3.72 0.12 0.00 0.01 0.00 0.00 42.46 38.66 1k5g s ILE 44 CO 0.01 0.15 1.17 -0.83 0.00 0.00 0.00 174.94 175.44 1k5g s GLY 45 N 1.57 1.70 0.13 6.18 0.00 0.07 -4.83 107.32 112.14 1k5g s GLY 45 Ca 0.16 -1.01 -0.16 0.00 0.00 0.00 0.00 44.72 43.72 1k5g s GLY 45 CO 0.10 -0.44 1.64 -0.91 0.00 0.00 0.00 173.10 173.49 1k5g h THR 46 N -1.10 1.22 -0.17 0.90 1.35 -1.81 0.18 112.91 113.49 1k5g h THR 46 Ca -0.44 -0.73 0.05 0.00 -0.55 0.00 0.00 66.41 64.73 1k5g h THR 46 Cb 1.29 0.94 -0.05 0.00 -1.73 0.00 0.00 68.15 68.60 1k5g h THR 46 CO 0.53 0.26 -0.14 -0.33 -0.25 0.00 0.00 175.52 175.58 1k5g h GLU 47 N 0.50 -0.15 -0.16 4.72 4.39 -1.90 0.44 114.58 122.42 1k5g h GLU 47 Ca 0.13 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.78 1k5g h GLU 47 Cb 0.27 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1k5g h GLU 47 CO -0.00 -0.10 -0.18 0.00 -1.16 0.00 0.00 179.01 177.56 1k5g h ALA 48 N 0.94 1.40 -0.81 3.43 0.00 -1.27 -1.09 119.26 121.87 1k5g h ALA 48 Ca 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1k5g h ALA 48 Cb 0.32 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1k5g h ALA 48 CO -0.26 0.42 0.38 0.00 0.00 0.00 0.00 179.25 179.78 1k5g h ALA 49 N 1.57 1.15 0.35 0.00 0.00 0.14 -0.13 119.26 122.33 1k5g h ALA 49 Ca 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1k5g h ALA 49 Cb 0.47 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1k5g h ALA 49 CO 0.03 0.64 -0.17 -0.09 0.00 0.00 0.00 179.25 179.67 1k5g h ARG 50 N 1.15 -0.45 -0.26 0.00 2.43 0.10 -0.84 114.38 116.52 1k5g h ARG 50 Ca 0.28 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.50 1k5g h ARG 50 Cb 0.13 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1k5g h ARG 50 CO -0.03 -0.28 0.18 2.35 -1.51 0.00 0.00 179.97 180.67 1k5g h TRP 51 N -0.49 0.25 0.00 2.20 7.01 -1.03 -1.43 115.95 122.46 1k5g h TRP 51 Ca -0.05 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 1k5g h TRP 51 Cb 0.37 -0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 27.35 1k5g h TRP 51 CO -0.05 0.15 -0.24 -0.07 -2.79 0.00 0.00 178.44 175.45 1k5g h LEU 52 N 0.26 0.00 -0.02 0.65 3.38 -0.72 -3.10 115.31 115.77 1k5g h LEU 52 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1k5g h LEU 52 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1k5g h LEU 52 CO -0.02 0.08 -0.02 0.28 0.09 0.00 0.00 178.44 178.85 1k5g h SER 53 N 0.00 0.04 -0.69 -0.43 0.02 -0.06 -2.50 113.55 109.94 1k5g h SER 53 Ca -0.00 -0.51 0.06 0.00 -0.84 0.00 0.00 61.79 60.50 1k5g h SER 53 Cb 1.06 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.54 1k5g h SER 53 CO 0.01 0.54 0.39 -0.33 -1.14 0.00 0.00 176.83 176.30 1k5g h GLU 54 N -0.45 0.70 -0.08 3.45 5.08 -1.57 -1.87 114.58 119.84 1k5g h GLU 54 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1k5g h GLU 54 Cb 0.53 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1k5g h GLU 54 CO 0.00 0.46 0.00 0.09 -1.00 0.00 0.00 179.01 178.57 1k5g n ASN 55 N -4.77 0.47 -0.05 1.42 3.02 -1.17 -3.63 115.26 110.55 1k5g n ASN 55 Ca 0.09 -1.84 -0.06 0.00 -0.03 0.00 0.00 54.58 52.73 1k5g n ASN 55 Cb 0.18 -0.05 -0.06 0.00 -0.61 0.00 0.00 39.78 39.23 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 -0.32 0.65 -0.31 2.41 5.41 -0.74 -4.54 119.36 121.92 1k5g n ILE 56 Ca 0.07 -0.33 0.05 0.00 1.00 0.00 0.00 62.75 63.53 1k5g n ILE 56 Cb 0.09 -0.83 0.24 0.00 -0.71 0.00 0.00 39.64 38.44 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 0.25 1.52 -0.19 -1.39 0.00 -1.53 -0.96 119.26 116.96 1k5g h ALA 57 Ca -0.26 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1k5g h ALA 57 Cb 1.50 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1k5g h ALA 57 CO -0.01 0.33 0.13 0.66 0.00 0.00 0.00 179.25 180.36 1k5g h SER 58 N 1.03 0.18 -0.74 0.00 4.64 -1.80 -3.34 113.55 113.51 1k5g h SER 58 Ca 0.41 -0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.16 1k5g h SER 58 Cb 0.25 -0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 62.23 1k5g h SER 58 CO -0.16 0.13 1.80 -0.54 -0.87 0.00 0.00 176.83 177.19 1k5g s LYS 59 N -5.23 3.48 0.10 4.77 -0.14 -0.37 -4.74 119.74 117.61 1k5g s LYS 59 Ca -0.06 -1.69 0.21 0.00 -1.36 0.00 0.00 55.97 53.07 1k5g s LYS 59 Cb 0.17 -5.43 0.86 0.00 -1.68 0.00 0.00 37.83 31.75 1k5g s LYS 59 CO 0.70 -2.84 1.66 1.63 -0.76 0.00 0.00 175.35 175.74 1k5g n LYS 60 N 8.38 0.09 -0.26 1.68 4.76 -1.26 -2.58 118.16 128.97 1k5g n LYS 60 Ca 0.47 0.24 0.11 0.00 -2.87 0.00 0.00 58.31 56.26 1k5g n LYS 60 Cb 0.46 -1.64 0.27 0.00 -1.84 0.00 0.00 35.03 32.28 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 -1.80 3.23 -4.68 4.39 8.00 -1.26 -4.32 116.55 120.12 1k5g n ASP 61 Ca 0.04 -1.97 -0.44 0.00 0.71 0.00 0.00 54.79 53.13 1k5g n ASP 61 Cb 0.25 -0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 40.99 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 1.28 3.22 0.00 0.64 7.94 -0.89 -4.33 117.00 124.86 1k5g n LEU 62 Ca 0.20 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.26 1k5g n LEU 62 Cb 0.53 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 43.04 1k5g n LEU 62 CO 0.15 -0.47 -0.41 -0.62 -1.11 0.00 0.00 177.39 174.93 1k5g n GLU 63 N 1.76 2.77 -4.42 1.96 1.02 0.35 -2.10 120.64 121.97 1k5g n GLU 63 Ca 0.10 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.03 1k5g n GLU 63 Cb 0.33 -0.91 -0.16 0.00 -0.02 0.00 0.00 31.44 30.68 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 -1.81 0.84 -0.30 -3.67 1.01 0.63 -2.29 121.20 115.61 1k5g s ILE 64 Ca 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.30 1k5g s ILE 64 Cb 0.00 -0.75 0.09 0.00 0.01 0.00 0.00 42.46 41.80 1k5g s ILE 64 CO 0.00 0.27 0.01 0.00 0.00 0.00 0.00 174.94 175.22 1k5g s ALA 65 N 0.29 2.39 -0.81 9.38 0.00 -0.58 -1.10 121.76 131.33 1k5g s ALA 65 Ca -0.05 -2.00 -0.17 0.00 0.00 0.00 0.00 51.96 49.74 1k5g s ALA 65 Cb -0.10 -1.73 0.16 0.00 0.00 0.00 0.00 23.12 21.45 1k5g s ALA 65 CO 0.01 -1.50 0.89 -2.00 0.00 0.00 0.00 175.76 173.16 1k5g s GLU 66 N 1.17 3.47 -0.07 0.00 -6.30 0.11 -0.21 118.70 116.87 1k5g s GLU 66 Ca 0.04 -1.91 0.14 0.00 -2.50 0.00 0.00 54.97 50.74 1k5g s GLU 66 Cb -0.19 -4.58 0.47 0.00 0.00 0.00 0.00 34.13 29.83 1k5g s GLU 66 CO -0.10 -1.54 1.39 1.19 0.02 0.00 0.00 175.26 176.21 1k5g n PHE 67 N 5.55 0.82 -1.92 5.30 0.99 0.75 -1.14 117.46 127.81 1k5g n PHE 67 Ca 0.12 -0.62 -0.38 0.00 -0.00 0.00 0.00 57.45 56.56 1k5g n PHE 67 Cb 0.47 -0.14 0.02 0.00 -1.00 0.00 0.00 39.48 38.82 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 -1.23 5.70 -0.31 4.37 0.01 -0.80 -4.05 113.70 117.39 1k5g s SER 68 Ca 0.35 2.68 -0.19 0.00 1.31 0.00 0.00 55.95 60.11 1k5g s SER 68 Cb 0.23 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.85 1k5g s SER 68 CO 0.17 -1.27 0.39 -0.67 0.41 0.00 0.00 173.24 172.26 1k5g n ASP 69 N -0.61 -6.65 0.00 2.44 2.03 0.34 -3.80 116.55 110.29 1k5g n ASP 69 Ca 0.08 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.75 1k5g n ASP 69 Cb 0.45 -2.94 0.00 0.00 -0.72 0.00 0.00 41.12 37.91 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 -0.19 5.18 -5.35 -1.25 -0.91 119.36 117.14 1k5g n ILE 70 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1k5g n ILE 70 Cb 0.49 1.42 0.00 0.00 -1.74 0.00 0.00 39.64 39.81 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 -1.15 4.28 0.99 -1.23 -0.92 117.46 119.43 1k5g n PHE 71 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 57.45 57.00 1k5g n PHE 71 Cb 0.34 0.00 -0.11 0.00 -1.00 0.00 0.00 39.48 38.71 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 -0.14 0.00 0.00 4.37 -2.24 -1.26 -0.23 114.28 114.78 1k5g n THR 72 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1k5g n THR 72 Cb 0.05 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 6.07 1.83 3.75 3.38 0.00 -1.26 -4.76 105.19 114.20 1k5g n GLY 73 Ca 0.51 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.18 4.56 0.66 1.61 1.81 0.68 -5.07 118.95 123.03 1k5g s ARG 74 Ca 0.00 1.17 -0.03 0.00 -1.72 0.00 0.00 55.73 55.14 1k5g s ARG 74 Cb 0.00 -3.33 0.07 0.00 -0.45 0.00 0.00 34.95 31.23 1k5g s ARG 74 CO 0.00 0.36 0.94 0.14 -0.68 0.00 0.00 175.30 176.06 1k5g s VAL 75 N -0.40 2.38 0.55 3.52 -7.23 -1.26 -4.82 120.40 113.14 1k5g s VAL 75 Ca 0.39 -0.45 0.26 0.00 -1.81 0.00 0.00 61.98 60.37 1k5g s VAL 75 Cb -0.22 -2.93 0.39 0.00 0.56 0.00 0.00 36.38 34.18 1k5g s VAL 75 CO 0.25 0.00 2.00 0.07 -0.31 0.00 0.00 175.10 177.11 1k5g h LYS 76 N -0.40 0.00 -0.18 4.82 2.10 -1.97 0.77 116.57 121.71 1k5g h LYS 76 Ca -0.42 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.28 1k5g h LYS 76 Cb 1.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.62 1k5g h LYS 76 CO 0.53 0.00 0.15 0.22 -2.00 0.00 0.00 179.45 178.35 1k5g h ASP 77 N 0.00 0.00 0.00 7.07 -0.00 -1.98 -3.37 116.42 118.14 1k5g h ASP 77 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.26 1k5g h ASP 77 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.30 1k5g h ASP 77 CO -0.00 0.00 -0.46 -1.84 -0.00 0.00 0.00 179.24 176.94 1k5g n GLU 78 N -4.24 3.04 0.19 0.28 0.28 0.22 -4.87 120.64 115.53 1k5g n GLU 78 Ca 0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.87 1k5g n GLU 78 Cb 0.28 -0.71 -0.08 0.00 1.43 0.00 0.00 31.44 32.36 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 0.67 -0.85 3.84 2.04 -1.60 -2.85 117.51 118.76 1k5g h ILE 79 Ca 0.00 -0.39 0.21 0.00 1.00 0.00 0.00 64.86 65.68 1k5g h ILE 79 Cb 0.00 0.87 -0.13 0.00 -0.74 0.00 0.00 36.82 36.82 1k5g h ILE 79 CO 0.00 0.08 0.28 -0.65 0.00 0.00 0.00 178.15 177.86 1k5g h PRO 80 N -0.68 0.28 0.73 2.37 0.11 -1.84 0.55 132.00 133.52 1k5g h PRO 80 Ca -0.05 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1k5g h PRO 80 Cb 0.48 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.53 1k5g h PRO 80 CO 0.08 0.19 -0.35 1.49 -0.21 0.00 0.00 178.00 179.19 1k5g h GLU 81 N 0.29 -0.94 -0.54 1.05 4.22 -1.89 -0.90 114.58 115.87 1k5g h GLU 81 Ca 0.52 0.06 0.11 0.00 0.08 0.00 0.00 59.36 60.14 1k5g h GLU 81 Cb 1.00 0.21 -0.10 0.00 0.50 0.00 0.00 28.75 30.36 1k5g h GLU 81 CO -0.58 -0.63 -0.15 0.00 -2.18 0.00 0.00 179.01 175.48 1k5g h ALA 82 N -1.52 0.34 -0.59 2.92 0.00 -1.08 0.70 119.26 120.02 1k5g h ALA 82 Ca -0.10 0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1k5g h ALA 82 Cb 0.75 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 1k5g h ALA 82 CO 0.16 -0.45 0.30 1.25 0.00 0.00 0.00 179.25 180.52 1k5g h LEU 83 N -0.01 0.43 0.00 0.00 5.85 0.11 -2.11 115.31 119.59 1k5g h LEU 83 Ca 0.26 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.05 1k5g h LEU 83 Cb 0.41 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1k5g h LEU 83 CO -0.56 0.28 -0.29 -0.09 -0.34 0.00 0.00 178.44 177.44 1k5g h ARG 84 N 0.57 -0.42 -0.08 1.25 1.12 0.56 -0.60 114.38 116.78 1k5g h ARG 84 Ca 0.27 0.03 0.04 0.00 -1.11 0.00 0.00 59.98 59.21 1k5g h ARG 84 Cb 0.19 0.10 -0.05 0.00 -0.01 0.00 0.00 29.97 30.19 1k5g h ARG 84 CO -0.19 -0.28 -0.23 -0.07 -3.11 0.00 0.00 179.97 176.09 1k5g h LEU 85 N -0.44 -0.70 0.72 3.80 3.38 -0.73 0.14 115.31 121.48 1k5g h LEU 85 Ca 0.06 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1k5g h LEU 85 Cb 0.52 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1k5g h LEU 85 CO -0.24 -0.29 -0.50 -0.07 0.09 0.00 0.00 178.44 177.43 1k5g h LEU 86 N -0.32 -1.30 -1.97 1.67 3.38 -1.09 -0.84 115.31 114.84 1k5g h LEU 86 Ca 0.09 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.25 1k5g h LEU 86 Cb 0.44 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1k5g h LEU 86 CO -0.26 -0.74 0.44 -0.07 0.09 0.00 0.00 178.44 177.89 1k5g h LEU 87 N -1.16 0.00 -0.30 1.67 3.38 -0.97 0.33 115.31 118.26 1k5g h LEU 87 Ca -0.10 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1k5g h LEU 87 Cb 0.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1k5g h LEU 87 CO 0.06 0.00 -0.06 -0.61 0.09 0.00 0.00 178.44 177.92 1k5g h GLN 88 N 0.00 0.57 0.56 1.13 4.15 0.66 -2.64 115.11 119.55 1k5g h GLN 88 Ca 0.18 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 1k5g h GLN 88 Cb 1.05 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 28.71 1k5g h GLN 88 CO -0.00 0.75 -0.27 0.00 -1.93 0.00 0.00 178.83 177.38 1k5g h ALA 89 N 0.80 -0.76 -0.99 3.38 0.00 0.41 -3.13 119.26 118.97 1k5g h ALA 89 Ca 0.08 -0.19 0.34 0.00 0.00 0.00 0.00 54.91 55.13 1k5g h ALA 89 Cb 0.53 0.29 -0.18 0.00 0.00 0.00 0.00 17.79 18.44 1k5g h ALA 89 CO 0.03 -0.75 0.25 1.28 0.00 0.00 0.00 179.25 180.05 1k5g n LEU 90 N -5.30 0.09 -0.18 0.00 4.77 -0.45 0.15 117.00 116.08 1k5g n LEU 90 Ca -0.11 1.67 0.30 0.00 -0.03 0.00 0.00 56.01 57.84 1k5g n LEU 90 Cb 0.33 -0.70 0.71 0.00 -2.33 0.00 0.00 43.42 41.43 1k5g n LEU 90 CO 0.28 -1.77 1.27 -0.07 -1.33 0.00 0.00 177.39 175.77 1k5g h LEU 91 N 0.00 0.00 -3.27 2.23 3.38 -1.41 -0.34 115.31 115.90 1k5g h LEU 91 Ca 0.71 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.35 1k5g h LEU 91 Cb 1.68 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 42.23 1k5g h LEU 91 CO -0.86 0.00 0.42 0.29 0.09 0.00 0.00 178.44 178.38 1k5g n LYS 92 N -3.97 1.79 -3.95 1.13 5.02 0.40 -4.77 118.16 113.81 1k5g n LYS 92 Ca 0.20 -1.89 -0.31 0.00 -2.02 0.00 0.00 58.31 54.30 1k5g n LYS 92 Cb 1.07 -1.74 -0.15 0.00 -0.02 0.00 0.00 35.03 34.20 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 7.34 0.21 -0.24 0.00 0.11 -1.86 -2.50 132.00 135.06 1k5g h PRO 94 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1k5g h PRO 94 Cb 0.98 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1k5g h PRO 94 CO 0.55 0.14 0.00 1.63 -0.21 0.00 0.00 178.00 180.11 1k5g n LYS 95 N -4.49 2.10 -1.97 1.05 5.02 -1.26 -4.76 118.16 113.85 1k5g n LYS 95 Ca 0.28 -1.96 -0.38 0.00 -2.02 0.00 0.00 58.31 54.23 1k5g n LYS 95 Cb 1.12 -1.41 -0.03 0.00 -0.02 0.00 0.00 35.03 34.69 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 -1.38 3.32 -0.07 -0.35 2.96 -0.89 -4.42 118.68 117.85 1k5g s LEU 96 Ca 0.29 0.51 0.21 0.00 -0.22 0.00 0.00 54.13 54.92 1k5g s LEU 96 Cb 0.18 -2.60 -0.31 0.00 0.50 0.00 0.00 46.19 43.95 1k5g s LEU 96 CO 0.25 -2.40 0.38 0.00 -1.32 0.00 0.00 176.35 173.27 1k5g n HIS 97 N 12.99 0.01 -4.03 5.38 1.44 -1.00 -3.37 115.22 126.64 1k5g n HIS 97 Ca 0.23 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.65 1k5g n HIS 97 Cb 0.52 -0.63 -0.17 0.00 0.12 0.00 0.00 29.99 29.83 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 -3.25 1.44 -0.05 0.61 2.01 -0.97 0.12 115.64 115.55 1k5g s THR 98 Ca -0.08 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.38 1k5g s THR 98 Cb 0.12 -1.37 0.01 0.00 0.01 0.00 0.00 72.50 71.27 1k5g s THR 98 CO 0.89 0.44 -0.10 0.54 -0.69 0.00 0.00 174.62 175.70 1k5g s VAL 99 N 1.49 0.91 -0.17 3.82 0.11 -0.88 -1.53 120.40 124.15 1k5g s VAL 99 Ca 0.04 -0.37 0.01 0.00 -2.93 0.00 0.00 61.98 58.73 1k5g s VAL 99 Cb -0.13 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 33.89 1k5g s VAL 99 CO -0.09 0.30 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.65 1k5g s ARG 100 N 0.60 2.95 -0.08 1.54 0.52 0.70 -2.12 118.95 123.07 1k5g s ARG 100 Ca -0.11 -0.82 0.11 0.00 -0.52 0.00 0.00 55.73 54.40 1k5g s ARG 100 Cb -0.14 -2.53 0.18 0.00 0.52 0.00 0.00 34.95 32.98 1k5g s ARG 100 CO 0.02 -0.19 1.10 1.28 0.02 0.00 0.00 175.30 177.52 1k5g n LEU 101 N 4.57 2.24 -4.66 2.53 4.77 0.29 -0.18 117.00 126.56 1k5g n LEU 101 Ca -0.21 -2.65 -0.30 0.00 -0.03 0.00 0.00 56.01 52.82 1k5g n LEU 101 Cb 0.50 -0.26 0.17 0.00 -2.33 0.00 0.00 43.42 41.50 1k5g n LEU 101 CO 0.26 0.63 0.66 -0.44 -1.33 0.00 0.00 177.39 177.16 1k5g s SER 102 N -2.11 2.83 -1.28 -1.43 0.01 -1.03 -4.12 113.70 106.57 1k5g s SER 102 Ca 0.19 2.00 -0.08 0.00 1.31 0.00 0.00 55.95 59.37 1k5g s SER 102 Cb 0.17 -2.50 0.01 0.00 0.21 0.00 0.00 66.02 63.91 1k5g s SER 102 CO 0.02 -3.13 1.08 0.47 0.41 0.00 0.00 173.24 172.09 1k5g n ASP 103 N -4.24 -6.11 -3.90 2.44 8.00 -0.20 -0.51 116.55 112.04 1k5g n ASP 103 Ca 0.10 -0.49 -0.17 0.00 0.71 0.00 0.00 54.79 54.93 1k5g n ASP 103 Cb 0.53 -4.74 -0.16 0.00 -0.02 0.00 0.00 41.12 36.73 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 -3.26 0.65 -0.42 -2.24 0.01 -1.19 -3.50 114.94 104.99 1k5g s ASN 104 Ca 0.53 -0.09 -0.28 0.00 -0.71 0.00 0.00 52.86 52.32 1k5g s ASN 104 Cb -0.24 -0.23 -0.02 0.00 0.41 0.00 0.00 41.25 41.17 1k5g s ASN 104 CO 0.66 -0.02 1.89 0.00 -1.51 0.00 0.00 177.10 178.12 1k5g s ALA 105 N 0.52 2.55 0.00 0.60 0.00 -1.26 -4.26 121.76 119.91 1k5g s ALA 105 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1k5g s ALA 105 Cb -0.09 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 18.90 1k5g s ALA 105 CO -0.00 -3.17 0.00 1.19 0.00 0.00 0.00 175.76 173.78 1k5g n PHE 106 N 11.57 0.00 -2.35 0.00 3.72 -0.53 -4.96 117.46 124.91 1k5g n PHE 106 Ca 0.24 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.67 1k5g n PHE 106 Cb 0.49 0.00 -0.01 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 3.38 -0.68 0.25 1.37 0.00 -0.93 -3.03 105.19 105.55 1k5g n GLY 107 Ca 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 46.02 45.44 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 0.06 0.00 1.61 0.11 -1.79 -1.97 132.00 130.03 1k5g h PRO 108 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1k5g h PRO 108 Cb 0.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.30 1k5g h PRO 108 CO 0.00 0.04 0.01 -2.37 -0.21 0.00 0.00 178.00 175.47 1k5g n THR 109 N -5.35 0.05 -2.14 -1.15 5.66 -1.24 -1.28 114.28 108.84 1k5g n THR 109 Ca 0.09 0.02 -0.01 0.00 -3.05 0.00 0.00 64.05 61.10 1k5g n THR 109 Cb 0.37 -1.02 -0.02 0.00 -1.55 0.00 0.00 70.33 68.11 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 -0.86 2.69 0.25 1.79 0.00 -0.75 -4.72 120.51 118.92 1k5g n ALA 110 Ca 0.00 -1.06 0.14 0.00 0.00 0.00 0.00 53.44 52.53 1k5g n ALA 110 Cb 0.01 -0.40 0.41 0.00 0.00 0.00 0.00 19.45 19.46 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 0.28 0.00 0.29 0.00 3.07 -1.12 -3.37 115.11 114.25 1k5g h GLN 111 Ca -0.25 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.48 1k5g h GLN 111 Cb 1.46 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.99 1k5g h GLN 111 CO -0.07 0.00 -0.42 0.93 0.09 0.00 0.00 178.83 179.36 1k5g h GLU 112 N 0.00 -0.72 -0.70 0.06 4.39 -1.91 0.26 114.58 115.96 1k5g h GLU 112 Ca 0.00 0.05 0.08 0.00 0.34 0.00 0.00 59.36 59.83 1k5g h GLU 112 Cb 0.78 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.53 1k5g h GLU 112 CO 0.00 -0.48 0.38 -1.35 -1.16 0.00 0.00 179.01 176.40 1k5g h PRO 113 N -0.74 0.65 0.43 2.33 0.11 -1.90 -0.10 132.00 132.78 1k5g h PRO 113 Ca -0.03 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 1k5g h PRO 113 Cb 0.68 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 1k5g h PRO 113 CO -0.13 0.43 -0.35 -0.07 -0.21 0.00 0.00 178.00 177.67 1k5g h LEU 114 N 0.67 -0.92 -0.94 2.35 4.07 -1.67 -0.57 115.31 118.29 1k5g h LEU 114 Ca 0.33 0.07 0.11 0.00 0.08 0.00 0.00 57.88 58.48 1k5g h LEU 114 Cb 0.28 0.30 -0.08 0.00 1.08 0.00 0.00 40.66 42.23 1k5g h LEU 114 CO -0.22 -0.51 0.57 0.40 -1.08 0.00 0.00 178.44 177.60 1k5g h ILE 115 N -0.78 0.91 0.00 1.22 2.04 -0.12 -0.10 117.51 120.67 1k5g h ILE 115 Ca -0.04 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1k5g h ILE 115 Cb 0.67 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1k5g h ILE 115 CO -0.01 0.17 0.00 -0.67 0.00 0.00 0.00 178.15 177.63 1k5g n ASP 116 N -4.67 0.00 -0.22 1.72 4.64 -0.08 -3.29 116.55 114.65 1k5g n ASP 116 Ca 0.17 0.32 -0.06 0.00 -1.38 0.00 0.00 54.79 53.85 1k5g n ASP 116 Cb 0.34 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.36 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 -0.39 -0.23 -0.19 -0.67 7.35 -0.25 -0.74 117.46 122.33 1k5g n PHE 117 Ca 0.00 0.66 0.18 0.00 -0.76 0.00 0.00 57.45 57.54 1k5g n PHE 117 Cb 0.00 -0.52 0.53 0.00 0.35 0.00 0.00 39.48 39.85 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 0.35 -0.37 -2.13 3.38 -1.16 -0.15 115.31 115.23 1k5g h LEU 118 Ca 0.09 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 1k5g h LEU 118 Cb 0.22 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1k5g h LEU 118 CO -0.50 0.16 -0.80 0.77 0.09 0.00 0.00 178.44 178.16 1k5g h SER 119 N 0.36 0.00 0.00 -0.43 4.64 -0.92 -3.39 113.55 113.80 1k5g h SER 119 Ca 0.41 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.50 1k5g h SER 119 Cb 1.06 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 1k5g h SER 119 CO -0.13 0.80 -1.36 0.29 -0.87 0.00 0.00 176.83 175.56 1k5g n LYS 120 N -3.56 0.55 -1.32 4.77 5.02 -0.23 -2.91 118.16 120.49 1k5g n LYS 120 Ca -0.00 0.51 -0.08 0.00 -2.02 0.00 0.00 58.31 56.72 1k5g n LYS 120 Cb 0.78 -1.69 -0.07 0.00 -0.02 0.00 0.00 35.03 34.03 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 -4.43 0.49 0.26 2.13 -0.00 -0.29 -4.76 115.22 108.62 1k5g n HIS 121 Ca -0.32 -0.08 0.09 0.00 0.46 0.00 0.00 57.72 57.87 1k5g n HIS 121 Cb 0.65 -1.64 0.68 0.00 -0.12 0.00 0.00 29.99 29.56 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 6.86 0.89 0.00 3.57 1.35 -1.90 -2.67 112.91 121.02 1k5g h THR 122 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1k5g h THR 122 Cb 1.00 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1k5g h THR 122 CO 1.01 0.05 0.00 -0.65 -0.25 0.00 0.00 175.52 175.68 1k5g h PRO 123 N 0.00 0.00 -6.43 4.72 0.11 -1.86 -3.43 132.00 125.11 1k5g h PRO 123 Ca -0.00 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.51 1k5g h PRO 123 Cb 0.10 0.00 0.05 0.00 0.11 0.00 0.00 31.00 31.25 1k5g h PRO 123 CO 0.01 0.00 0.88 -0.11 -0.21 0.00 0.00 178.00 178.57 1k5g n LEU 124 N -2.59 3.17 0.00 2.35 7.94 -1.01 -4.01 117.00 122.86 1k5g n LEU 124 Ca -0.00 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.95 1k5g n LEU 124 Cb 0.15 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 42.69 1k5g n LEU 124 CO 0.18 -0.24 -0.41 -0.62 -1.11 0.00 0.00 177.39 175.20 1k5g n GLU 125 N 4.40 1.58 -3.89 1.96 1.02 0.33 -4.38 120.64 121.65 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 0.29 -0.91 -0.16 0.00 -0.02 0.00 0.00 31.44 30.64 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 -1.81 2.13 -0.26 -0.32 3.76 0.69 0.48 115.29 119.94 1k5g s HIS 126 Ca 0.00 -1.60 -0.08 0.00 -0.15 0.00 0.00 55.06 53.23 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 -0.75 0.09 -1.17 -0.85 0.00 0.00 174.74 172.06 1k5g s LEU 127 N 1.49 3.61 -0.72 0.89 2.96 0.12 -2.08 118.68 124.94 1k5g s LEU 127 Ca -0.04 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 1k5g s LEU 127 Cb -0.18 -1.94 0.18 0.00 0.50 0.00 0.00 46.19 44.75 1k5g s LEU 127 CO -0.07 -0.07 0.57 -0.31 -1.32 0.00 0.00 176.35 175.15 1k5g s TYR 128 N 1.62 3.57 -0.79 5.38 1.51 -0.90 -0.89 117.35 126.85 1k5g s TYR 128 Ca 0.06 -2.73 0.02 0.00 -1.01 0.00 0.00 57.07 53.40 1k5g s TYR 128 Cb -0.16 -3.27 0.19 0.00 -0.11 0.00 0.00 41.96 38.61 1k5g s TYR 128 CO 0.04 -0.83 0.62 -1.17 -1.11 0.00 0.00 175.55 173.11 1k5g s LEU 129 N -0.42 5.16 -0.08 -1.29 2.96 -0.27 -0.55 118.68 124.19 1k5g s LEU 129 Ca 0.20 -3.77 0.05 0.00 -0.22 0.00 0.00 54.13 50.39 1k5g s LEU 129 Cb -0.16 -1.77 -0.00 0.00 0.50 0.00 0.00 46.19 44.76 1k5g s LEU 129 CO -0.06 -0.14 -0.24 -2.28 -1.32 0.00 0.00 176.35 172.31 1k5g s HIS 130 N -1.37 2.45 -0.67 5.38 2.46 -1.19 -3.52 115.29 118.83 1k5g s HIS 130 Ca 0.26 -0.87 -0.05 0.00 0.47 0.00 0.00 55.06 54.86 1k5g s HIS 130 Cb -0.06 -1.63 0.01 0.00 -0.13 0.00 0.00 32.58 30.77 1k5g s HIS 130 CO -0.14 -0.32 0.67 -1.71 -2.47 0.00 0.00 174.74 170.77 1k5g n ASN 131 N 3.25 -7.45 0.00 9.88 4.05 0.20 -1.04 115.26 124.16 1k5g n ASN 131 Ca -0.18 -0.03 0.00 0.00 0.45 0.00 0.00 54.58 54.82 1k5g n ASN 131 Cb 0.52 -4.82 0.00 0.00 1.23 0.00 0.00 39.78 36.71 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 -1.47 0.05 -3.09 1.20 4.13 -1.24 -1.87 115.26 112.97 1k5g n ASN 132 Ca -0.01 -0.32 -0.19 0.00 1.68 0.00 0.00 54.58 55.74 1k5g n ASN 132 Cb 0.52 0.40 0.07 0.00 -1.54 0.00 0.00 39.78 39.23 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 0.40 -0.29 0.30 7.41 0.00 -1.24 -1.45 105.19 110.32 1k5g n GLY 133 Ca 0.00 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.16 -0.78 0.00 0.99 3.38 -1.86 -2.78 115.31 112.11 1k5g h LEU 134 Ca -0.48 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1k5g h LEU 134 Cb 1.31 0.31 0.00 0.00 0.09 0.00 0.00 40.66 42.36 1k5g h LEU 134 CO 0.46 -0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1k5g n GLY 135 N -1.38 0.08 0.36 0.83 0.00 0.10 -3.62 105.19 101.56 1k5g n GLY 135 Ca -0.06 -1.63 0.08 0.00 0.00 0.00 0.00 46.02 44.41 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 0.93 0.00 1.61 0.11 -1.63 0.74 132.00 133.76 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 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 30.90 1k5g h PRO 136 CO 0.00 0.61 0.00 1.04 -0.21 0.00 0.00 178.00 179.44 1k5g n GLN 137 N -4.65 0.00 -0.31 1.05 3.00 -1.26 -2.24 117.38 112.97 1k5g n GLN 137 Ca 0.20 0.40 0.06 0.00 -0.01 0.00 0.00 57.00 57.65 1k5g n GLN 137 Cb 0.39 -1.31 0.27 0.00 0.00 0.00 0.00 30.24 29.59 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 1.58 -0.76 -1.58 0.00 -1.68 -0.88 119.26 113.94 1k5g h ALA 138 Ca 0.00 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.07 1k5g h ALA 138 Cb 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 17.79 17.46 1k5g h ALA 138 CO 0.00 0.24 0.25 0.78 0.00 0.00 0.00 179.25 180.52 1k5g h GLY 139 N 0.96 1.13 0.99 0.00 0.00 0.46 0.16 103.07 106.77 1k5g h GLY 139 Ca 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1k5g h GLY 139 CO -0.19 -0.17 0.01 0.00 0.00 0.00 0.00 176.54 176.19 1k5g h ALA 140 N 1.60 0.02 -0.26 3.60 0.00 -0.70 0.71 119.26 124.23 1k5g h ALA 140 Ca 0.43 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.37 1k5g h ALA 140 Cb 0.72 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1k5g h ALA 140 CO -0.47 -0.48 0.06 0.87 0.00 0.00 0.00 179.25 179.22 1k5g h LYS 141 N 0.01 0.15 -0.91 0.00 1.57 -0.81 0.20 116.57 116.78 1k5g h LYS 141 Ca 0.00 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.90 1k5g h LYS 141 Cb 0.01 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.20 1k5g h LYS 141 CO -0.00 0.10 0.53 0.82 -0.57 0.00 0.00 179.45 180.33 1k5g h ILE 142 N 0.16 0.84 -0.56 1.86 1.08 -0.48 0.51 117.51 120.91 1k5g h ILE 142 Ca 0.12 -0.28 -0.03 0.00 -0.39 0.00 0.00 64.86 64.28 1k5g h ILE 142 Cb 0.12 -0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 33.80 1k5g h ILE 142 CO -0.15 0.15 0.25 0.00 -0.69 0.00 0.00 178.15 177.71 1k5g h ALA 143 N 1.53 0.73 -0.02 1.87 0.00 0.14 -0.61 119.26 122.89 1k5g h ALA 143 Ca 0.47 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1k5g h ALA 143 Cb 0.54 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1k5g h ALA 143 CO -0.30 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1k5g h ARG 144 N 0.76 0.04 -1.04 0.00 3.08 0.59 -2.08 114.38 115.74 1k5g h ARG 144 Ca 0.19 -0.01 0.27 0.00 0.07 0.00 0.00 59.98 60.50 1k5g h ARG 144 Cb 0.16 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.13 1k5g h ARG 144 CO -0.02 0.32 0.70 0.00 -1.07 0.00 0.00 179.97 179.90 1k5g h ALA 145 N 0.72 2.50 0.00 0.04 0.00 0.22 0.82 119.26 123.56 1k5g h ALA 145 Ca 0.01 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1k5g h ALA 145 Cb 0.30 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1k5g h ALA 145 CO 0.00 -0.86 -0.78 -0.07 0.00 0.00 0.00 179.25 177.54 1k5g h LEU 146 N 0.26 0.00 -0.75 0.00 4.07 -0.55 -2.33 115.31 116.01 1k5g h LEU 146 Ca 0.55 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.46 1k5g h LEU 146 Cb 1.65 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.36 1k5g h LEU 146 CO -0.18 0.78 0.26 1.56 -1.08 0.00 0.00 178.44 179.77 1k5g h GLN 147 N 0.00 1.16 0.68 1.13 4.20 0.13 -1.30 115.11 121.10 1k5g h GLN 147 Ca -0.01 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 1k5g h GLN 147 Cb 1.46 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1k5g h GLN 147 CO 0.10 0.97 -0.37 0.93 -0.67 0.00 0.00 178.83 179.80 1k5g h GLU 148 N 1.11 -0.93 -1.33 1.46 4.39 -1.04 -1.75 114.58 116.49 1k5g h GLU 148 Ca 0.25 0.06 0.47 0.00 0.34 0.00 0.00 59.36 60.48 1k5g h GLU 148 Cb 0.28 0.21 -0.14 0.00 -0.10 0.00 0.00 28.75 29.00 1k5g h GLU 148 CO -0.01 -0.62 0.84 1.25 -1.16 0.00 0.00 179.01 179.31 1k5g h LEU 149 N -0.96 0.22 0.05 1.33 5.85 -1.12 1.29 115.31 121.97 1k5g h LEU 149 Ca -0.09 0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1k5g h LEU 149 Cb 0.75 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1k5g h LEU 149 CO 0.13 -0.28 -0.27 0.00 -0.34 0.00 0.00 178.44 177.67 1k5g h ALA 150 N 1.66 -0.42 0.94 1.25 0.00 -0.32 -0.30 119.26 122.07 1k5g h ALA 150 Ca 0.88 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.72 1k5g h ALA 150 Cb 2.75 0.47 0.01 0.00 0.00 0.00 0.00 17.79 21.02 1k5g h ALA 150 CO -0.50 -0.79 -0.48 0.28 0.00 0.00 0.00 179.25 177.75 1k5g h VAL 151 N -0.45 0.03 -0.17 0.00 2.07 0.18 -2.30 116.25 115.61 1k5g h VAL 151 Ca 0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.62 1k5g h VAL 151 Cb 0.51 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1k5g h VAL 151 CO -0.20 0.00 0.42 0.78 0.02 0.00 0.00 177.57 178.59 1k5g h ASN 152 N -1.29 0.00 0.09 0.57 2.35 -1.25 -0.06 115.58 115.99 1k5g h ASN 152 Ca -0.13 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.46 1k5g h ASN 152 Cb 1.00 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.39 1k5g h ASN 152 CO 0.19 0.00 -0.70 0.11 -1.65 0.00 0.00 177.43 175.39 1k5g h LYS 153 N 0.00 0.31 0.00 0.81 1.57 -0.59 -3.18 116.57 115.50 1k5g h LYS 153 Ca 0.08 -0.46 -0.04 0.00 -1.87 0.00 0.00 60.65 58.37 1k5g h LYS 153 Cb 0.92 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1k5g h LYS 153 CO -0.00 1.18 -0.17 -0.22 -0.57 0.00 0.00 179.45 179.67 1k5g h LYS 154 N -0.33 0.00 -0.05 3.15 3.64 -0.50 -2.19 116.57 120.29 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 1.50 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.30 1k5g h LYS 154 CO 0.13 0.17 -0.62 0.00 -2.27 0.00 0.00 179.45 176.87 1k5g h ALA 155 N 1.83 0.86 -0.38 5.00 0.00 -1.39 -3.22 119.26 121.95 1k5g h ALA 155 Ca -0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 1k5g h ALA 155 Cb 0.43 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1k5g h ALA 155 CO 0.02 0.75 0.04 1.63 0.00 0.00 0.00 179.25 181.68 1k5g n LYS 156 N -3.85 3.04 -4.23 0.00 5.02 -0.95 -4.97 118.16 112.22 1k5g n LYS 156 Ca -0.02 -2.97 -0.37 0.00 -2.02 0.00 0.00 58.31 52.93 1k5g n LYS 156 Cb 0.63 -1.94 -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 -2.51 -4.89 4.39 4.13 -0.88 -4.93 115.26 110.10 1k5g n ASN 157 Ca 0.27 -1.00 -0.29 0.00 1.68 0.00 0.00 54.58 55.25 1k5g n ASN 157 Cb 1.03 -2.12 -0.01 0.00 -1.54 0.00 0.00 39.78 37.14 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 -3.16 3.35 0.69 5.41 0.00 -0.88 -5.04 121.76 122.12 1k5g s ALA 158 Ca 0.73 -0.35 -0.17 0.00 0.00 0.00 0.00 51.96 52.17 1k5g s ALA 158 Cb -0.41 -2.69 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 1k5g s ALA 158 CO 0.89 -0.27 0.56 -2.30 0.00 0.00 0.00 175.76 174.65 1k5g n PRO 159 N -1.97 0.38 -2.39 0.00 -0.02 -1.26 -4.83 135.00 124.91 1k5g n PRO 159 Ca 0.02 0.17 -0.33 0.00 -2.02 0.00 0.00 63.50 61.34 1k5g n PRO 159 Cb 0.55 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.17 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 -2.64 3.75 0.29 0.52 0.02 -1.26 -4.95 135.00 130.74 1k5g s PRO 160 Ca 0.67 1.17 -0.29 0.00 0.02 0.00 0.00 61.00 62.56 1k5g s PRO 160 Cb -0.37 -2.10 -0.10 0.00 0.02 0.00 0.00 34.50 31.95 1k5g s PRO 160 CO 0.56 -0.45 1.24 -1.17 -0.33 0.00 0.00 177.00 176.86 1k5g s LEU 161 N -3.92 4.47 -0.06 -5.54 2.96 -1.26 -4.72 118.68 110.61 1k5g s LEU 161 Ca 0.63 2.51 0.04 0.00 -0.22 0.00 0.00 54.13 57.09 1k5g s LEU 161 Cb -0.13 -3.64 -0.06 0.00 0.50 0.00 0.00 46.19 42.86 1k5g s LEU 161 CO 0.27 -0.41 0.00 0.54 -1.32 0.00 0.00 176.35 175.44 1k5g n ARG 162 N 1.20 2.53 -3.84 1.98 5.12 0.18 -3.85 116.66 119.98 1k5g n ARG 162 Ca 0.01 0.01 -0.18 0.00 -1.93 0.00 0.00 57.85 55.75 1k5g n ARG 162 Cb 0.43 -1.14 -0.17 0.00 -1.16 0.00 0.00 32.46 30.42 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 -3.87 0.67 -0.24 0.55 0.01 -0.50 0.35 113.70 110.67 1k5g s SER 163 Ca -0.04 -0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.23 1k5g s SER 163 Cb 0.02 -0.22 0.05 0.00 0.21 0.00 0.00 66.02 66.09 1k5g s SER 163 CO 0.21 -0.14 -0.10 -0.63 0.41 0.00 0.00 173.24 172.98 1k5g s ILE 164 N 1.37 1.93 -0.66 1.44 1.01 0.11 0.13 121.20 126.52 1k5g s ILE 164 Ca -0.05 -1.38 -0.05 0.00 0.00 0.00 0.00 60.65 59.17 1k5g s ILE 164 Cb -0.13 -2.04 0.17 0.00 0.01 0.00 0.00 42.46 40.47 1k5g s ILE 164 CO -0.03 0.03 0.50 -0.63 0.00 0.00 0.00 174.94 174.82 1k5g s ILE 165 N 1.23 4.07 -0.47 2.92 -1.09 -0.07 -0.86 121.20 126.93 1k5g s ILE 165 Ca -0.06 -2.86 0.03 0.00 -2.23 0.00 0.00 60.65 55.53 1k5g s ILE 165 Cb -0.19 -3.62 0.14 0.00 -1.58 0.00 0.00 42.46 37.21 1k5g s ILE 165 CO -0.06 -0.90 0.26 0.00 -1.23 0.00 0.00 174.94 173.00 1k5g s GLY 167 N 0.10 1.54 -1.07 0.00 0.00 -1.23 -4.20 107.32 102.46 1k5g s GLY 167 Ca 0.18 -1.76 -0.07 0.00 0.00 0.00 0.00 44.72 43.07 1k5g s GLY 167 CO -0.02 -1.58 0.94 0.54 0.00 0.00 0.00 173.10 172.99 1k5g n ARG 168 N -0.38 -6.31 0.00 2.90 1.74 0.17 0.60 116.66 115.38 1k5g n ARG 168 Ca -0.03 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 1k5g n ARG 168 Cb 0.65 -5.19 0.00 0.00 -1.02 0.00 0.00 32.46 26.90 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 -2.12 1.10 -3.89 0.55 3.02 -1.25 -3.70 115.26 108.98 1k5g n ASN 169 Ca -0.00 -1.39 -0.26 0.00 -0.03 0.00 0.00 54.58 52.89 1k5g n ASN 169 Cb 0.55 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.73 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 -0.20 -4.30 0.28 3.52 1.74 -1.26 0.03 116.66 116.48 1k5g n ARG 170 Ca 0.00 0.51 0.18 0.00 -0.77 0.00 0.00 57.85 57.78 1k5g n ARG 170 Cb 0.21 -5.01 0.96 0.00 -1.02 0.00 0.00 32.46 27.60 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 -1.86 0.00 0.00 0.55 3.38 -1.83 -2.71 115.31 112.84 1k5g h LEU 171 Ca -0.61 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.38 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 0.63 0.00 -0.03 -0.62 0.09 0.00 0.00 178.44 178.52 1k5g n GLU 172 N -3.40 -0.15 0.18 1.13 1.02 0.38 -2.88 120.64 116.91 1k5g n GLU 172 Ca -0.01 0.10 0.07 0.00 -0.02 0.00 0.00 57.16 57.29 1k5g n GLU 172 Cb 0.23 -0.18 0.12 0.00 -0.02 0.00 0.00 31.44 31.58 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 -0.83 1.62 -0.26 -1.84 -3.29 115.58 110.90 1k5g h ASN 173 Ca 0.00 0.00 0.20 0.00 -0.56 0.00 0.00 56.30 55.94 1k5g h ASN 173 Cb 0.07 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 37.18 1k5g h ASN 173 CO 0.00 0.30 0.01 1.23 -1.06 0.00 0.00 177.43 177.91 1k5g h GLY 174 N 3.55 0.96 -1.49 2.83 0.00 -1.91 -0.91 103.07 106.09 1k5g h GLY 174 Ca -0.00 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1k5g h GLY 174 CO 0.04 -0.35 0.00 -1.14 0.00 0.00 0.00 176.54 175.09 1k5g n SER 175 N -5.39 2.50 -0.06 0.19 3.41 -1.14 -4.40 113.62 108.72 1k5g n SER 175 Ca 0.16 -1.84 -0.06 0.00 -0.26 0.00 0.00 58.87 56.87 1k5g n SER 175 Cb 0.55 -0.14 0.12 0.00 -0.26 0.00 0.00 64.21 64.48 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 3.40 0.71 -0.35 4.33 2.07 -1.26 -0.25 114.93 123.58 1k5g h MET 176 Ca 0.00 -0.27 0.07 0.00 -2.07 0.00 0.00 59.70 57.43 1k5g h MET 176 Cb 0.74 -0.04 -0.07 0.00 -1.87 0.00 0.00 31.60 30.37 1k5g h MET 176 CO 0.00 0.86 -0.10 0.87 1.07 0.00 0.00 176.91 179.61 1k5g h LYS 177 N 0.62 -0.02 0.05 1.72 1.57 -1.77 -0.39 116.57 118.35 1k5g h LYS 177 Ca 0.09 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1k5g h LYS 177 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1k5g h LYS 177 CO 0.05 -0.01 -0.02 1.49 -0.57 0.00 0.00 179.45 180.39 1k5g h GLU 178 N -0.02 -0.07 -0.82 3.15 4.57 -1.79 -3.20 114.58 116.40 1k5g h GLU 178 Ca 0.17 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.49 1k5g h GLU 178 Cb 0.28 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.79 1k5g h GLU 178 CO -0.37 0.40 0.42 -1.49 -1.18 0.00 0.00 179.01 176.79 1k5g h TRP 179 N -0.57 0.73 -0.75 0.92 4.06 -0.85 0.60 115.95 120.10 1k5g h TRP 179 Ca -0.01 0.03 0.17 0.00 2.06 0.00 0.00 58.89 61.15 1k5g h TRP 179 Cb 0.50 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 28.41 1k5g h TRP 179 CO 0.09 0.19 0.51 0.00 -3.56 0.00 0.00 178.44 175.67 1k5g h ALA 180 N 1.53 2.31 -0.01 1.49 0.00 -1.10 0.35 119.26 123.83 1k5g h ALA 180 Ca 0.44 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 55.08 1k5g h ALA 180 Cb 0.59 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.38 1k5g h ALA 180 CO -0.34 -0.53 -1.03 0.87 0.00 0.00 0.00 179.25 178.22 1k5g h LYS 181 N 0.26 0.72 -0.83 0.00 1.57 0.15 -2.49 116.57 115.95 1k5g h LYS 181 Ca 0.37 -0.76 0.13 0.00 -1.87 0.00 0.00 60.65 58.52 1k5g h LYS 181 Cb 1.05 0.21 -0.06 0.00 0.08 0.00 0.00 32.23 33.51 1k5g h LYS 181 CO -0.09 1.33 0.54 1.15 -0.57 0.00 0.00 179.45 181.81 1k5g h THR 182 N 0.41 0.85 -0.14 -0.16 2.02 0.87 -0.51 112.91 116.26 1k5g h THR 182 Ca -0.13 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 66.76 1k5g h THR 182 Cb 1.68 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 1k5g h THR 182 CO 0.20 0.12 -0.21 -0.26 0.37 0.00 0.00 175.52 175.74 1k5g h PHE 183 N 0.64 0.47 -0.69 3.16 0.05 -0.95 -2.02 116.94 117.60 1k5g h PHE 183 Ca 0.41 -0.16 0.20 0.00 3.82 0.00 0.00 57.97 62.24 1k5g h PHE 183 Cb 0.68 -0.09 -0.03 0.00 2.00 0.00 0.00 35.95 38.51 1k5g h PHE 183 CO -0.00 0.83 0.56 1.96 -0.18 0.00 0.00 178.31 181.48 1k5g h GLN 184 N -0.01 0.00 0.24 1.51 4.20 -0.69 -1.71 115.11 118.65 1k5g h GLN 184 Ca 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1k5g h GLN 184 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1k5g h GLN 184 CO 0.05 0.00 -0.11 0.77 -0.67 0.00 0.00 178.83 178.87 1k5g h SER 185 N 0.00 -0.27 -1.56 1.46 0.02 -0.76 -3.38 113.55 109.06 1k5g h SER 185 Ca 0.33 0.01 -0.74 0.00 -0.84 0.00 0.00 61.79 60.54 1k5g h SER 185 Cb 1.44 0.07 -0.15 0.00 0.14 0.00 0.00 62.40 63.90 1k5g h SER 185 CO -0.00 -0.07 1.85 1.41 -1.14 0.00 0.00 176.83 178.88 1k5g n HIS 186 N -3.55 3.80 1.25 3.45 8.25 -0.65 -4.81 115.22 122.96 1k5g n HIS 186 Ca -0.04 -3.01 0.00 0.00 -0.26 0.00 0.00 57.72 54.41 1k5g n HIS 186 Cb 0.13 -2.10 0.00 0.00 1.12 0.00 0.00 29.99 29.13 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 4.86 0.84 -0.11 -0.41 1.74 -1.19 -3.27 116.66 119.12 1k5g n ARG 187 Ca 0.40 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.57 1k5g n ARG 187 Cb 0.39 -1.22 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 -0.20 2.50 -4.75 0.55 4.77 -1.26 -4.19 117.00 114.42 1k5g n LEU 188 Ca 0.00 -3.01 -0.33 0.00 -0.03 0.00 0.00 56.01 52.64 1k5g n LEU 188 Cb 0.11 -0.42 0.07 0.00 -2.33 0.00 0.00 43.42 40.86 1k5g n LEU 188 CO 0.00 0.69 0.76 -0.76 -1.33 0.00 0.00 177.39 176.75 1k5g s LEU 189 N -2.75 3.32 -0.04 2.23 1.43 -1.20 -4.71 118.68 116.95 1k5g s LEU 189 Ca 0.31 2.14 0.01 0.00 -1.03 0.00 0.00 54.13 55.56 1k5g s LEU 189 Cb 0.27 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.89 1k5g s LEU 189 CO 0.04 -1.96 -0.03 1.41 0.23 0.00 0.00 176.35 176.03 1k5g n HIS 190 N -2.66 0.00 -3.84 0.29 8.25 0.15 -2.74 115.22 114.68 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 -0.17 -0.16 0.00 1.12 0.00 0.00 29.99 31.30 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 -2.09 1.02 -0.16 1.59 2.01 -0.74 0.32 115.64 117.59 1k5g s THR 191 Ca -0.05 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.06 1k5g s THR 191 Cb 0.01 -1.42 0.02 0.00 0.01 0.00 0.00 72.50 71.13 1k5g s THR 191 CO 0.11 -0.16 -0.19 0.54 -0.69 0.00 0.00 174.62 174.23 1k5g s VAL 192 N 1.63 1.90 -0.31 3.82 0.11 -0.32 -0.71 120.40 126.53 1k5g s VAL 192 Ca -0.03 -0.85 -0.00 0.00 -2.93 0.00 0.00 61.98 58.17 1k5g s VAL 192 Cb -0.18 -1.73 0.10 0.00 -1.53 0.00 0.00 36.38 33.04 1k5g s VAL 192 CO -0.07 0.52 0.08 -0.54 -3.33 0.00 0.00 175.10 171.75 1k5g s LYS 193 N 1.25 0.86 -0.77 1.54 1.02 -0.04 -2.26 119.74 121.34 1k5g s LYS 193 Ca 0.02 -1.16 0.03 0.00 0.02 0.00 0.00 55.97 54.88 1k5g s LYS 193 Cb -0.13 -2.20 0.27 0.00 -0.52 0.00 0.00 37.83 35.24 1k5g s LYS 193 CO -0.10 -0.95 0.96 -1.33 -0.92 0.00 0.00 175.35 173.02 1k5g n MET 194 N 4.76 3.11 -2.94 1.68 2.81 -0.60 -0.97 117.12 124.97 1k5g n MET 194 Ca -0.02 -4.64 -0.37 0.00 -1.81 0.00 0.00 57.70 50.86 1k5g n MET 194 Cb 0.42 -2.33 -0.06 0.00 -0.71 0.00 0.00 33.22 30.54 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 -2.58 4.37 -1.16 2.03 1.01 -1.25 -4.45 120.40 118.36 1k5g s VAL 195 Ca 0.37 1.60 -0.10 0.00 0.00 0.00 0.00 61.98 63.86 1k5g s VAL 195 Cb 0.12 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1k5g s VAL 195 CO 0.02 0.24 0.81 1.67 0.00 0.00 0.00 175.10 177.85 1k5g n GLN 196 N 0.83 -2.69 -0.61 2.72 0.00 0.72 0.41 117.38 118.76 1k5g n GLN 196 Ca -0.01 0.64 0.04 0.00 -0.00 0.00 0.00 57.00 57.66 1k5g n GLN 196 Cb 0.50 -4.98 0.20 0.00 0.00 0.00 0.00 30.24 25.97 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 -2.96 1.99 -0.02 1.69 3.02 -1.26 -2.63 115.26 115.09 1k5g n ASN 197 Ca -0.15 -3.80 -0.00 0.00 -0.03 0.00 0.00 54.58 50.60 1k5g n ASN 197 Cb 0.63 -0.55 -0.00 0.00 -0.61 0.00 0.00 39.78 39.24 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 -1.13 0.02 3.69 7.41 0.00 -1.26 -0.47 105.19 113.44 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 -0.50 2.73 0.60 -0.61 1.01 -1.26 -4.61 121.20 118.57 1k5g s ILE 199 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.85 1k5g s ILE 199 Cb 0.00 -3.11 0.08 0.00 0.01 0.00 0.00 42.46 39.44 1k5g s ILE 199 CO 0.00 -0.00 0.84 -0.13 0.00 0.00 0.00 174.94 175.64 1k5g s ARG 200 N 2.92 2.20 0.00 2.79 0.52 -1.26 -2.12 118.95 123.99 1k5g s ARG 200 Ca 0.80 -1.15 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 1k5g s ARG 200 Cb -0.44 -2.50 0.00 0.00 0.52 0.00 0.00 34.95 32.53 1k5g s ARG 200 CO 0.36 -0.97 0.74 -2.30 0.02 0.00 0.00 175.30 173.15 1k5g n PRO 201 N -2.45 0.00 -0.33 3.54 -0.02 -0.71 -0.05 135.00 134.98 1k5g n PRO 201 Ca 0.12 0.74 0.20 0.00 -2.02 0.00 0.00 63.50 62.55 1k5g n PRO 201 Cb 0.60 -1.12 0.42 0.00 -0.02 0.00 0.00 33.50 33.38 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 0.37 0.52 -0.52 3.07 -1.90 0.22 114.58 116.35 1k5g h GLU 202 Ca 0.00 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1k5g h GLU 202 Cb 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 1k5g h GLU 202 CO 0.00 0.24 -0.28 0.78 -1.40 0.00 0.00 179.01 178.35 1k5g h GLY 203 N 0.38 -0.78 1.03 -3.84 0.00 -0.83 -2.59 103.07 96.43 1k5g h GLY 203 Ca 0.68 0.30 -0.02 0.00 0.00 0.00 0.00 47.33 48.29 1k5g h GLY 203 CO -0.58 -0.29 0.45 -2.22 0.00 0.00 0.00 176.54 173.91 1k5g h ILE 204 N -0.74 1.25 -0.62 2.60 5.03 0.75 0.24 117.51 126.02 1k5g h ILE 204 Ca -0.07 -0.65 0.12 0.00 -0.12 0.00 0.00 64.86 64.14 1k5g h ILE 204 Cb 0.58 0.12 -0.09 0.00 -3.03 0.00 0.00 36.82 34.40 1k5g h ILE 204 CO 0.10 0.29 0.14 -0.08 -0.68 0.00 0.00 178.15 177.92 1k5g h GLU 205 N 1.20 0.26 0.18 2.37 4.81 -0.57 0.20 114.58 123.03 1k5g h GLU 205 Ca 0.30 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1k5g h GLU 205 Cb 0.05 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1k5g h GLU 205 CO -0.05 0.17 -0.09 1.25 -0.73 0.00 0.00 179.01 179.57 1k5g h HIS 206 N 0.27 -0.22 -1.13 0.92 2.76 -1.05 -1.40 115.15 115.30 1k5g h HIS 206 Ca 0.33 -0.01 0.40 0.00 -2.20 0.00 0.00 60.37 58.89 1k5g h HIS 206 Cb 0.49 0.07 -0.13 0.00 1.55 0.00 0.00 27.41 29.40 1k5g h HIS 206 CO -0.24 -0.14 0.71 -0.11 -1.30 0.00 0.00 177.93 176.85 1k5g n LEU 207 N -3.09 0.20 0.00 0.26 7.94 0.03 -0.66 117.00 121.68 1k5g n LEU 207 Ca -0.03 1.23 0.00 0.00 -1.11 0.00 0.00 56.01 56.10 1k5g n LEU 207 Cb 0.10 -0.60 0.00 0.00 0.53 0.00 0.00 43.42 43.44 1k5g n LEU 207 CO 0.07 -1.34 0.02 0.18 -1.11 0.00 0.00 177.39 175.21 1k5g n LEU 208 N -4.50 1.84 0.05 -1.96 7.99 0.68 -1.66 117.00 119.44 1k5g n LEU 208 Ca 0.34 0.20 0.21 0.00 -0.01 0.00 0.00 56.01 56.76 1k5g n LEU 208 Cb 1.31 -0.17 0.73 0.00 -0.11 0.00 0.00 43.42 45.18 1k5g n LEU 208 CO 0.13 -0.17 1.19 -0.07 -1.51 0.00 0.00 177.39 176.96 1k5g h LEU 209 N 0.00 0.00 -0.40 2.23 3.38 -0.85 -1.99 115.31 117.68 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 -0.18 1.21 0.09 0.00 0.00 178.44 179.56 1k5g n GLU 210 N -3.83 3.48 0.00 1.13 4.07 0.16 -4.78 120.64 120.86 1k5g n GLU 210 Ca 0.09 -0.28 0.00 0.00 -0.06 0.00 0.00 57.16 56.91 1k5g n GLU 210 Cb 0.66 -0.88 0.00 0.00 -0.06 0.00 0.00 31.44 31.17 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 0.88 1.02 0.24 8.31 0.00 -0.91 -4.65 105.19 110.08 1k5g n GLY 211 Ca 0.02 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.22 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 0.12 0.30 0.99 7.99 -0.67 -0.87 117.00 124.87 1k5g n LEU 212 Ca 0.00 1.21 0.09 0.00 -0.01 0.00 0.00 56.01 57.30 1k5g n LEU 212 Cb 0.00 -0.53 0.41 0.00 -0.11 0.00 0.00 43.42 43.19 1k5g n LEU 212 CO 0.00 -1.31 1.07 0.00 -1.51 0.00 0.00 177.39 175.65 1k5g h ALA 213 N 1.45 1.75 -0.00 -1.18 0.00 -1.62 0.93 119.26 120.59 1k5g h ALA 213 Ca 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1k5g h ALA 213 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1k5g h ALA 213 CO -0.61 -0.73 -0.44 0.66 0.00 0.00 0.00 179.25 178.14 1k5g n TYR 214 N -2.75 0.00 -1.66 0.00 4.02 -0.05 -4.46 117.16 112.26 1k5g n TYR 214 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.54 1k5g n TYR 214 Cb 0.74 -0.24 -0.03 0.00 -0.02 0.00 0.00 39.34 39.78 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 4.37 0.00 0.00 0.00 4.20 -1.76 0.47 115.11 122.40 1k5g h GLN 216 Ca 0.67 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.38 1k5g h GLN 216 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1k5g h GLN 216 CO 1.39 0.00 0.00 0.93 -0.67 0.00 0.00 178.83 180.48 1k5g h GLU 217 N 0.00 0.00 -5.22 1.46 4.39 -1.80 -3.39 114.58 110.02 1k5g h GLU 217 Ca 0.74 0.00 -0.71 0.00 0.34 0.00 0.00 59.36 59.73 1k5g h GLU 217 Cb 3.39 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 32.08 1k5g h GLU 217 CO -0.01 0.00 0.19 -0.11 -1.16 0.00 0.00 179.01 177.92 1k5g n LEU 218 N -2.69 0.25 -0.07 1.33 7.94 0.17 -4.74 117.00 119.18 1k5g n LEU 218 Ca 0.04 1.02 -0.13 0.00 -1.11 0.00 0.00 56.01 55.82 1k5g n LEU 218 Cb 0.42 -0.79 -0.05 0.00 0.53 0.00 0.00 43.42 43.53 1k5g n LEU 218 CO 0.30 -1.43 -0.96 0.29 -1.11 0.00 0.00 177.39 174.47 1k5g n LYS 219 N 1.83 0.30 -4.12 1.96 5.02 0.05 -3.56 118.16 119.64 1k5g n LYS 219 Ca 0.20 0.11 -0.27 0.00 -2.02 0.00 0.00 58.31 56.33 1k5g n LYS 219 Cb 0.04 -1.06 -0.17 0.00 -0.02 0.00 0.00 35.03 33.82 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 -2.25 1.23 -0.09 -0.18 1.01 0.15 -0.57 120.40 119.71 1k5g s VAL 220 Ca -0.19 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1k5g s VAL 220 Cb 0.07 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.28 1k5g s VAL 220 CO 0.26 0.40 -0.07 -0.22 0.00 0.00 0.00 175.10 175.46 1k5g s LEU 221 N 1.38 1.23 -0.12 3.92 2.96 -0.75 -1.17 118.68 126.13 1k5g s LEU 221 Ca 0.00 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 1k5g s LEU 221 Cb -0.13 -0.72 0.03 0.00 0.50 0.00 0.00 46.19 45.86 1k5g s LEU 221 CO -0.06 -0.08 -0.09 -0.62 -1.32 0.00 0.00 176.35 174.18 1k5g s ASP 222 N 1.38 2.34 -0.15 3.68 -1.08 -0.96 -1.67 116.67 120.22 1k5g s ASP 222 Ca -0.02 -0.37 0.15 0.00 -0.52 0.00 0.00 52.55 51.79 1k5g s ASP 222 Cb -0.14 -0.93 0.34 0.00 -1.46 0.00 0.00 42.92 40.74 1k5g s ASP 222 CO -0.04 -0.11 1.17 0.18 0.52 0.00 0.00 175.17 176.90 1k5g n LEU 223 N 4.90 2.29 -4.50 -1.34 4.77 -0.53 -1.56 117.00 121.03 1k5g n LEU 223 Ca -0.13 -3.28 -0.45 0.00 -0.03 0.00 0.00 56.01 52.12 1k5g n LEU 223 Cb 0.50 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1k5g n LEU 223 CO 0.18 0.99 0.26 1.67 -1.33 0.00 0.00 177.39 179.16 1k5g n GLN 224 N -1.08 0.75 -3.56 3.23 7.27 -1.17 -3.50 117.38 119.30 1k5g n GLN 224 Ca 0.16 0.26 -0.21 0.00 0.07 0.00 0.00 57.00 57.28 1k5g n GLN 224 Cb 0.70 -1.51 0.08 0.00 2.41 0.00 0.00 30.24 31.92 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 1.45 -4.08 -4.15 1.69 2.03 -0.27 -0.20 116.55 113.02 1k5g n ASP 225 Ca 0.12 -0.61 -0.22 0.00 0.52 0.00 0.00 54.79 54.60 1k5g n ASP 225 Cb 0.32 -4.92 -0.14 0.00 -0.72 0.00 0.00 41.12 35.67 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 1.82 -0.25 1.67 0.01 -1.23 -4.06 114.94 109.07 1k5g s ASN 226 Ca 0.31 -0.37 -0.29 0.00 -0.71 0.00 0.00 52.86 51.79 1k5g s ASN 226 Cb -0.14 -0.16 -0.01 0.00 0.41 0.00 0.00 41.25 41.35 1k5g s ASN 226 CO 0.74 0.13 1.40 -0.89 -1.51 0.00 0.00 177.10 176.98 1k5g s THR 227 N -0.59 4.00 -0.08 1.60 2.01 -0.90 -4.20 115.64 117.48 1k5g s THR 227 Ca 0.04 1.14 -0.06 0.00 0.31 0.00 0.00 61.69 63.13 1k5g s THR 227 Cb -0.07 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 1k5g s THR 227 CO 0.00 -0.37 -0.12 0.49 -0.69 0.00 0.00 174.62 173.94 1k5g n PHE 228 N 7.75 0.28 -4.42 4.92 3.01 0.12 -1.73 117.46 127.39 1k5g n PHE 228 Ca 0.16 0.12 0.01 0.00 1.01 0.00 0.00 57.45 58.75 1k5g n PHE 228 Cb 0.46 -0.40 -0.00 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 -3.42 0.00 -0.35 4.37 -2.24 -0.61 -1.54 114.28 110.49 1k5g n THR 229 Ca -0.05 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.75 1k5g n THR 229 Cb 0.17 -0.02 0.17 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.06 1.18 0.32 4.78 -0.00 -1.83 -0.53 115.15 119.01 1k5g h HIS 230 Ca 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.39 1k5g h HIS 230 Cb 0.06 -0.39 0.00 0.00 -0.00 0.00 0.00 27.41 27.08 1k5g h HIS 230 CO 0.00 0.67 -0.15 1.25 -0.00 0.00 0.00 177.93 179.69 1k5g h LEU 231 N 1.20 -0.36 -0.35 0.26 5.85 -1.91 -1.40 115.31 118.60 1k5g h LEU 231 Ca 0.40 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.12 1k5g h LEU 231 Cb 0.05 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1k5g h LEU 231 CO -0.13 -0.22 0.19 1.23 -0.34 0.00 0.00 178.44 179.16 1k5g h GLY 232 N -0.47 0.48 0.49 3.75 0.00 -0.98 -2.67 103.07 103.67 1k5g h GLY 232 Ca -0.04 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.17 1k5g h GLY 232 CO 0.07 0.11 -0.29 1.76 0.00 0.00 0.00 176.54 178.20 1k5g h SER 233 N 0.39 -0.82 -0.98 0.19 0.02 -0.98 0.02 113.55 111.38 1k5g h SER 233 Ca 0.14 0.10 0.20 0.00 -0.84 0.00 0.00 61.79 61.39 1k5g h SER 233 Cb 0.03 0.31 -0.11 0.00 0.14 0.00 0.00 62.40 62.77 1k5g h SER 233 CO -0.08 -0.38 0.57 0.28 -1.14 0.00 0.00 176.83 176.08 1k5g h SER 234 N -0.51 0.69 0.92 3.07 0.02 -1.14 0.51 113.55 117.11 1k5g h SER 234 Ca 0.03 0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 1k5g h SER 234 Cb 0.53 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.08 1k5g h SER 234 CO -0.17 0.20 -0.44 0.00 -1.14 0.00 0.00 176.83 175.28 1k5g h ALA 235 N 1.67 -1.33 -0.90 3.77 0.00 -0.96 -1.98 119.26 119.52 1k5g h ALA 235 Ca 0.58 -0.27 0.24 0.00 0.00 0.00 0.00 54.91 55.47 1k5g h ALA 235 Cb 0.98 0.48 -0.14 0.00 0.00 0.00 0.00 17.79 19.12 1k5g h ALA 235 CO -0.42 -1.24 0.35 1.25 0.00 0.00 0.00 179.25 179.18 1k5g h LEU 236 N -1.24 0.21 0.49 0.00 5.85 0.10 -0.46 115.31 120.26 1k5g h LEU 236 Ca -0.13 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1k5g h LEU 236 Cb 0.95 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1k5g h LEU 236 CO 0.21 -0.09 -0.31 0.00 -0.34 0.00 0.00 178.44 177.90 1k5g h ALA 237 N 1.76 -0.77 -0.31 1.25 0.00 0.11 -1.12 119.26 120.17 1k5g h ALA 237 Ca 0.58 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.40 1k5g h ALA 237 Cb 1.18 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 1k5g h ALA 237 CO -0.60 -0.95 -0.04 0.82 0.00 0.00 0.00 179.25 178.48 1k5g h ILE 238 N -0.77 0.73 0.00 0.00 2.04 -0.45 -2.76 117.51 116.30 1k5g h ILE 238 Ca -0.05 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1k5g h ILE 238 Cb 0.63 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1k5g h ILE 238 CO 0.05 0.01 -0.11 0.00 0.00 0.00 0.00 178.15 178.09 1k5g h ALA 239 N 1.29 1.31 -1.00 1.87 0.00 -0.97 -3.27 119.26 118.48 1k5g h ALA 239 Ca 0.15 -0.10 0.20 0.00 0.00 0.00 0.00 54.91 55.16 1k5g h ALA 239 Cb 0.22 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.88 1k5g h ALA 239 CO -0.29 0.14 0.61 -0.07 0.00 0.00 0.00 179.25 179.65 1k5g h LEU 240 N 0.00 0.75 -0.38 0.00 3.38 -0.90 0.14 115.31 118.30 1k5g h LEU 240 Ca -0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1k5g h LEU 240 Cb 0.32 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1k5g h LEU 240 CO 0.01 0.24 0.00 2.29 0.09 0.00 0.00 178.44 181.07 1k5g n LYS 241 N -4.78 0.04 0.16 1.13 2.85 -1.24 -2.01 118.16 114.32 1k5g n LYS 241 Ca 0.24 0.50 0.09 0.00 -1.05 0.00 0.00 58.31 58.10 1k5g n LYS 241 Cb 0.62 -1.63 0.08 0.00 -0.65 0.00 0.00 35.03 33.45 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 -3.77 -5.58 0.02 -0.96 -3.41 113.55 99.85 1k5g h SER 242 Ca 0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 1k5g h SER 242 Cb 0.04 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 62.22 1k5g h SER 242 CO 0.00 0.13 -0.28 0.26 -1.14 0.00 0.00 176.83 175.81 1k5g s TRP 243 N -3.18 3.60 0.10 3.45 0.51 -0.85 -4.35 118.94 118.22 1k5g s TRP 243 Ca 0.04 -2.90 -0.19 0.00 -2.12 0.00 0.00 56.10 50.93 1k5g s TRP 243 Cb 0.07 -3.17 -0.07 0.00 -0.81 0.00 0.00 33.47 29.49 1k5g s TRP 243 CO 0.73 -0.77 1.62 -1.35 -0.51 0.00 0.00 176.95 176.66 1k5g h PRO 244 N 6.48 0.39 -1.12 4.98 0.11 -1.81 -2.65 132.00 138.38 1k5g h PRO 244 Ca 0.07 -0.08 -0.16 0.00 0.11 0.00 0.00 66.00 65.93 1k5g h PRO 244 Cb 0.88 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 31.84 1k5g h PRO 244 CO 0.77 0.46 0.21 0.09 -0.21 0.00 0.00 178.00 179.31 1k5g n ASN 245 N -4.75 3.71 -4.77 -2.05 3.02 -1.26 -4.51 115.26 104.65 1k5g n ASN 245 Ca -0.03 -2.53 -0.40 0.00 -0.03 0.00 0.00 54.58 51.59 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 -1.00 4.40 0.00 3.41 2.96 -1.00 -4.11 118.68 123.33 1k5g s LEU 246 Ca 0.17 2.39 0.00 0.00 -0.22 0.00 0.00 54.13 56.47 1k5g s LEU 246 Cb 0.14 -3.77 0.00 0.00 0.50 0.00 0.00 46.19 43.06 1k5g s LEU 246 CO 0.03 -0.41 0.00 0.54 -1.32 0.00 0.00 176.35 175.18 1k5g n ARG 247 N 0.71 2.07 -3.92 1.98 1.74 0.27 -3.54 116.66 115.97 1k5g n ARG 247 Ca 0.01 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.88 1k5g n ARG 247 Cb 0.45 -0.64 -0.17 0.00 -1.02 0.00 0.00 32.46 31.08 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 -1.06 0.62 -0.31 5.56 2.12 -1.11 -0.64 118.70 123.88 1k5g s GLU 248 Ca 0.00 0.04 0.01 0.00 0.36 0.00 0.00 54.97 55.38 1k5g s GLU 248 Cb 0.00 -0.85 0.09 0.00 0.26 0.00 0.00 34.13 33.64 1k5g s GLU 248 CO 0.00 -0.20 0.06 -1.17 -0.54 0.00 0.00 175.26 173.41 1k5g s LEU 249 N 1.48 3.20 -0.48 2.70 2.96 -0.66 -1.81 118.68 126.07 1k5g s LEU 249 Ca -0.03 -1.76 -0.16 0.00 -0.22 0.00 0.00 54.13 51.96 1k5g s LEU 249 Cb -0.13 -1.18 0.07 0.00 0.50 0.00 0.00 46.19 45.44 1k5g s LEU 249 CO -0.03 -0.38 0.42 -0.83 -1.32 0.00 0.00 176.35 174.22 1k5g s GLY 250 N 1.33 2.01 -0.14 7.98 0.00 -0.67 -0.99 107.32 116.84 1k5g s GLY 250 Ca 0.08 -2.06 0.18 0.00 0.00 0.00 0.00 44.72 42.92 1k5g s GLY 250 CO -0.16 1.10 1.24 1.04 0.00 0.00 0.00 173.10 176.32 1k5g n LEU 251 N 5.32 2.85 -4.72 0.66 4.77 0.34 -1.46 117.00 124.77 1k5g n LEU 251 Ca -0.12 -3.05 -0.43 0.00 -0.03 0.00 0.00 56.01 52.38 1k5g n LEU 251 Cb 0.44 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1k5g n LEU 251 CO 0.48 0.70 1.21 0.59 -1.33 0.00 0.00 177.39 179.04 1k5g n ASN 252 N -1.12 3.62 -0.93 -1.43 5.03 -1.13 -2.50 115.26 116.80 1k5g n ASN 252 Ca 0.18 1.13 -0.09 0.00 0.87 0.00 0.00 54.58 56.66 1k5g n ASN 252 Cb 0.72 -1.55 -0.02 0.00 -1.02 0.00 0.00 39.78 37.91 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 2.49 -3.48 -1.13 6.41 10.43 -1.19 -1.12 116.55 128.97 1k5g n ASP 253 Ca 0.11 0.07 0.11 0.00 2.57 0.00 0.00 54.79 57.65 1k5g n ASP 253 Cb 0.35 -2.43 0.24 0.00 1.84 0.00 0.00 41.12 41.12 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 1.39 -1.96 -0.34 0.00 4.77 -1.22 0.15 117.00 119.79 1k5g n LEU 255 Ca 0.20 -1.00 0.27 0.00 -0.03 0.00 0.00 56.01 55.44 1k5g n LEU 255 Cb 0.57 -2.16 0.57 0.00 -2.33 0.00 0.00 43.42 40.07 1k5g n LEU 255 CO 0.15 0.37 1.24 -0.07 -1.33 0.00 0.00 177.39 177.74 1k5g h LEU 256 N -1.69 0.34 0.00 2.23 3.38 -1.84 -1.63 115.31 116.11 1k5g h LEU 256 Ca -0.61 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1k5g h LEU 256 Cb 1.38 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1k5g h LEU 256 CO 0.71 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 177.74 1k5g n SER 257 N -4.56 -0.25 -0.27 -0.43 3.41 -0.44 -3.42 113.62 107.66 1k5g n SER 257 Ca 0.27 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.96 1k5g n SER 257 Cb 1.01 0.55 0.22 0.00 -0.26 0.00 0.00 64.21 65.73 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 1.07 -0.28 7.33 0.00 -1.69 0.20 119.26 125.89 1k5g h ALA 258 Ca 0.00 0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1k5g h ALA 258 Cb 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1k5g h ALA 258 CO 0.00 -0.39 -0.37 0.00 0.00 0.00 0.00 179.25 178.49 1k5g h ARG 259 N 0.23 0.63 0.43 0.00 3.08 -1.90 -2.28 114.38 114.57 1k5g h ARG 259 Ca 0.47 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1k5g h ARG 259 Cb 0.87 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1k5g h ARG 259 CO -0.59 0.90 -0.21 0.78 -1.07 0.00 0.00 179.97 179.79 1k5g h GLY 260 N 1.01 -0.60 0.32 0.04 0.00 -0.74 -2.74 103.07 100.36 1k5g h GLY 260 Ca 0.05 0.22 0.12 0.00 0.00 0.00 0.00 47.33 47.73 1k5g h GLY 260 CO 0.08 -0.22 0.37 0.00 0.00 0.00 0.00 176.54 176.77 1k5g h ALA 261 N -0.55 1.11 -0.78 3.60 0.00 -1.05 0.11 119.26 121.70 1k5g h ALA 261 Ca -0.06 0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.08 1k5g h ALA 261 Cb 0.56 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.20 1k5g h ALA 261 CO 0.10 -0.09 -0.24 0.00 0.00 0.00 0.00 179.25 179.01 1k5g h ALA 262 N 1.50 0.39 -0.03 0.00 0.00 -1.30 0.28 119.26 120.10 1k5g h ALA 262 Ca 0.40 0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.56 1k5g h ALA 262 Cb 0.52 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1k5g h ALA 262 CO -0.33 -0.47 -0.11 0.00 0.00 0.00 0.00 179.25 178.34 1k5g h ALA 263 N 1.62 0.06 -0.62 0.00 0.00 -0.59 -2.00 119.26 117.73 1k5g h ALA 263 Ca 0.35 -0.35 0.12 0.00 0.00 0.00 0.00 54.91 55.03 1k5g h ALA 263 Cb 0.58 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 1k5g h ALA 263 CO -0.81 -0.05 0.10 0.28 0.00 0.00 0.00 179.25 178.77 1k5g h VAL 264 N -0.43 0.58 0.50 0.00 2.07 0.09 1.18 116.25 120.24 1k5g h VAL 264 Ca -0.00 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1k5g h VAL 264 Cb 0.73 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1k5g h VAL 264 CO 0.02 0.04 -0.28 0.58 0.02 0.00 0.00 177.57 177.95 1k5g h VAL 265 N 0.22 0.42 -0.83 2.57 2.07 -0.52 -1.07 116.25 119.10 1k5g h VAL 265 Ca 0.33 0.00 0.20 0.00 0.82 0.00 0.00 66.70 68.05 1k5g h VAL 265 Cb 0.52 0.42 -0.13 0.00 -1.52 0.00 0.00 31.29 30.58 1k5g h VAL 265 CO -0.45 0.00 0.24 -0.78 0.02 0.00 0.00 177.57 176.60 1k5g h ASP 266 N -0.73 0.06 -0.27 0.57 1.82 -0.13 0.89 116.42 118.64 1k5g h ASP 266 Ca -0.06 0.17 0.06 0.00 -0.39 0.00 0.00 57.03 56.81 1k5g h ASP 266 Cb 0.59 0.22 -0.08 0.00 0.68 0.00 0.00 39.33 40.74 1k5g h ASP 266 CO 0.08 -0.08 -0.33 0.00 -1.61 0.00 0.00 179.24 177.29 1k5g h ALA 267 N 1.71 -0.29 -0.41 -0.78 0.00 0.25 -0.54 119.26 119.19 1k5g h ALA 267 Ca 0.50 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.51 1k5g h ALA 267 Cb 0.95 0.68 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 1k5g h ALA 267 CO -0.58 -0.77 0.19 0.74 0.00 0.00 0.00 179.25 178.83 1k5g h PHE 268 N -0.33 0.35 -1.05 0.00 -1.00 0.22 -2.18 116.94 112.95 1k5g h PHE 268 Ca 0.13 0.02 0.42 0.00 2.81 0.00 0.00 57.97 61.35 1k5g h PHE 268 Cb 0.55 -0.10 -0.17 0.00 3.61 0.00 0.00 35.95 39.84 1k5g h PHE 268 CO -0.48 0.17 0.60 0.45 -1.61 0.00 0.00 178.31 177.43 1k5g n SER 269 N -4.94 0.32 0.12 2.17 2.88 -0.24 0.88 113.62 114.80 1k5g n SER 269 Ca 0.02 1.57 0.06 0.00 -1.33 0.00 0.00 58.87 59.19 1k5g n SER 269 Cb 0.12 -0.77 0.02 0.00 -0.75 0.00 0.00 64.21 62.83 1k5g n SER 269 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1k5g h LYS 270 N 0.00 0.00 -7.18 -1.46 1.57 -1.09 -3.47 116.57 104.95 1k5g h LYS 270 Ca 0.84 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 59.11 1k5g h LYS 270 Cb 2.32 0.00 0.21 0.00 0.08 0.00 0.00 32.23 34.83 1k5g h LYS 270 CO -0.69 0.23 0.06 1.28 -0.57 0.00 0.00 179.45 179.76 1k5g n LEU 271 N -2.99 2.07 -4.38 2.94 4.77 0.25 -5.03 117.00 114.63 1k5g n LEU 271 Ca -0.01 0.31 -0.19 0.00 -0.03 0.00 0.00 56.01 56.08 1k5g n LEU 271 Cb 0.68 -1.40 -0.10 0.00 -2.33 0.00 0.00 43.42 40.26 1k5g n LEU 271 CO 0.40 -2.53 -0.41 -0.70 -1.33 0.00 0.00 177.39 172.82 1k5g s GLU 272 N -4.46 1.41 -1.41 3.23 2.12 -1.26 -4.81 118.70 113.52 1k5g s GLU 272 Ca 0.66 -1.67 -0.15 0.00 0.36 0.00 0.00 54.97 54.17 1k5g s GLU 272 Cb -0.23 -1.11 0.02 0.00 0.26 0.00 0.00 34.13 33.07 1k5g s GLU 272 CO 0.60 0.12 0.28 0.09 -0.54 0.00 0.00 175.26 175.82 1k5g n ASN 273 N -0.46 -1.16 -4.61 -1.70 3.02 -1.26 -4.79 115.26 104.30 1k5g n ASN 273 Ca -0.07 -1.29 -0.43 0.00 -0.03 0.00 0.00 54.58 52.76 1k5g n ASN 273 Cb 0.62 -1.58 -0.02 0.00 -0.61 0.00 0.00 39.78 38.18 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 -4.03 3.77 -0.86 2.41 1.01 -1.25 -4.84 121.20 117.41 1k5g s ILE 274 Ca 0.21 0.82 0.15 0.00 0.00 0.00 0.00 60.65 61.82 1k5g s ILE 274 Cb -0.12 -3.94 0.68 0.00 0.01 0.00 0.00 42.46 39.09 1k5g s ILE 274 CO 0.99 -0.53 1.56 0.61 0.00 0.00 0.00 174.94 177.57 1k5g n GLY 275 N 4.99 2.57 3.58 6.18 0.00 -1.26 -4.40 105.19 116.86 1k5g n GLY 275 Ca 0.18 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 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 0.83 2.04 0.00 0.99 7.94 -1.23 -4.66 117.00 122.90 1k5g n LEU 276 Ca 0.24 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 56.20 1k5g n LEU 276 Cb 0.92 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 43.56 1k5g n LEU 276 CO 0.24 -1.63 -0.09 0.00 -1.11 0.00 0.00 177.39 174.80 1k5g n GLN 277 N 0.38 4.26 -3.26 1.96 6.02 0.18 -3.09 117.38 123.83 1k5g n GLN 277 Ca 0.10 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.12 1k5g n GLN 277 Cb 0.37 -0.49 -0.02 0.00 1.02 0.00 0.00 30.24 31.12 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 -0.92 -0.77 -0.25 5.09 -1.32 -0.51 -1.30 115.64 115.66 1k5g s THR 278 Ca 0.00 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.45 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 -0.04 -0.22 -2.21 0.00 0.00 174.62 172.15 1k5g s LEU 279 N 2.83 3.25 -0.45 9.08 2.96 -0.48 -1.66 118.68 134.22 1k5g s LEU 279 Ca 0.08 -0.80 -0.14 0.00 -0.22 0.00 0.00 54.13 53.05 1k5g s LEU 279 Cb -0.12 -1.70 0.06 0.00 0.50 0.00 0.00 46.19 44.93 1k5g s LEU 279 CO -0.18 -0.13 0.34 -0.13 -1.32 0.00 0.00 176.35 174.94 1k5g s ARG 280 N 1.37 2.90 -0.18 1.98 0.52 -0.16 -2.62 118.95 122.75 1k5g s ARG 280 Ca 0.01 -1.30 0.15 0.00 -0.52 0.00 0.00 55.73 54.07 1k5g s ARG 280 Cb -0.16 -4.01 0.39 0.00 0.52 0.00 0.00 34.95 31.69 1k5g s ARG 280 CO -0.03 -0.95 1.26 1.28 0.02 0.00 0.00 175.30 176.88 1k5g n LEU 281 N 5.13 2.94 -4.23 2.53 4.77 0.89 -0.50 117.00 128.52 1k5g n LEU 281 Ca -0.12 -3.39 -0.29 0.00 -0.03 0.00 0.00 56.01 52.18 1k5g n LEU 281 Cb 0.44 -0.50 0.18 0.00 -2.33 0.00 0.00 43.42 41.21 1k5g n LEU 281 CO 0.44 0.97 -0.35 0.00 -1.33 0.00 0.00 177.39 177.12 1k5g n GLN 282 N -1.16 -2.01 -3.33 3.23 6.02 -0.56 -4.08 117.38 115.49 1k5g n GLN 282 Ca 0.20 -0.58 0.00 0.00 -0.01 0.00 0.00 57.00 56.61 1k5g n GLN 282 Cb 0.75 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 30.32 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 -4.57 0.00 -0.92 1.08 4.02 -0.96 -3.19 117.16 112.63 1k5g n TYR 283 Ca 0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.97 1k5g n TYR 283 Cb 0.57 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.97 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 0.82 1.86 -0.81 7.72 3.02 -1.26 -3.42 115.26 123.19 1k5g n ASN 284 Ca 0.00 -2.59 -0.11 0.00 -0.03 0.00 0.00 54.58 51.85 1k5g n ASN 284 Cb 0.00 -0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 38.85 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 -0.97 -1.59 -1.67 3.52 1.02 -1.26 -1.32 120.64 118.36 1k5g n GLU 285 Ca 0.09 0.86 -0.47 0.00 -0.02 0.00 0.00 57.16 57.63 1k5g n GLU 285 Cb 0.55 -5.22 -0.04 0.00 -0.02 0.00 0.00 31.44 26.71 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 -2.27 0.15 -3.49 -3.67 5.41 -1.26 -3.44 119.36 110.79 1k5g n ILE 286 Ca -0.11 -0.03 -0.27 0.00 1.00 0.00 0.00 62.75 63.35 1k5g n ILE 286 Cb 0.56 -1.62 -0.03 0.00 -0.71 0.00 0.00 39.64 37.85 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 1.69 3.55 0.24 0.38 2.02 -1.26 -1.59 118.70 123.73 1k5g s GLU 287 Ca 0.82 -0.23 -0.12 0.00 0.02 0.00 0.00 54.97 55.46 1k5g s GLU 287 Cb -0.68 -2.73 0.33 0.00 0.10 0.00 0.00 34.13 31.15 1k5g s GLU 287 CO 0.41 0.27 1.48 -0.11 0.02 0.00 0.00 175.26 177.33 1k5g n LEU 288 N -1.08 -0.49 -0.25 1.80 -0.00 -1.24 -0.56 117.00 115.19 1k5g n LEU 288 Ca -0.04 1.65 0.22 0.00 -0.00 0.00 0.00 56.01 57.84 1k5g n LEU 288 Cb 0.55 -0.44 0.55 0.00 -0.00 0.00 0.00 43.42 44.08 1k5g n LEU 288 CO 0.48 -1.53 1.23 0.44 -0.00 0.00 0.00 177.39 178.01 1k5g h ASP 289 N 0.00 0.34 0.03 1.96 5.19 -1.94 0.45 116.42 122.44 1k5g h ASP 289 Ca 0.39 0.04 -0.11 0.00 -0.62 0.00 0.00 57.03 56.73 1k5g h ASP 289 Cb 0.63 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 40.13 1k5g h ASP 289 CO -0.96 0.12 -0.44 0.00 -3.12 0.00 0.00 179.24 174.83 1k5g h ALA 290 N 1.60 0.02 -0.35 3.45 0.00 -1.21 -3.00 119.26 119.76 1k5g h ALA 290 Ca 0.49 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1k5g h ALA 290 Cb 1.35 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1k5g h ALA 290 CO -0.17 0.22 0.23 0.28 0.00 0.00 0.00 179.25 179.81 1k5g h VAL 291 N -0.40 1.03 0.46 0.00 2.07 -0.71 0.56 116.25 119.26 1k5g h VAL 291 Ca -0.06 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1k5g h VAL 291 Cb 1.22 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1k5g h VAL 291 CO 0.09 0.07 -0.29 0.03 0.02 0.00 0.00 177.57 177.49 1k5g h ARG 292 N 0.37 -0.69 -0.44 1.57 2.47 -0.18 -1.74 114.38 115.75 1k5g h ARG 292 Ca 0.14 0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.84 1k5g h ARG 292 Cb 0.10 0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 1k5g h ARG 292 CO -0.03 -0.46 0.03 1.15 0.56 0.00 0.00 179.97 181.22 1k5g h THR 293 N -0.72 1.26 -0.94 2.04 2.02 -1.10 -2.67 112.91 112.79 1k5g h THR 293 Ca -0.05 -0.98 0.18 0.00 0.77 0.00 0.00 66.41 66.33 1k5g h THR 293 Cb 0.59 1.04 -0.08 0.00 -1.74 0.00 0.00 68.15 67.95 1k5g h THR 293 CO 0.05 0.34 0.60 0.25 0.37 0.00 0.00 175.52 177.13 1k5g h LEU 294 N 0.60 0.62 0.11 2.58 5.85 0.19 -1.09 115.31 124.16 1k5g h LEU 294 Ca 0.13 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1k5g h LEU 294 Cb 0.45 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1k5g h LEU 294 CO 0.02 0.26 -0.06 0.50 -0.34 0.00 0.00 178.44 178.81 1k5g h LYS 295 N 0.62 -0.15 -1.01 1.25 3.64 -0.96 0.33 116.57 120.29 1k5g h LYS 295 Ca 0.50 0.01 0.31 0.00 -1.27 0.00 0.00 60.65 60.20 1k5g h LYS 295 Cb 0.94 0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.66 1k5g h LYS 295 CO -0.25 -0.10 0.59 1.79 -2.27 0.00 0.00 179.45 179.20 1k5g h THR 296 N -0.16 0.35 -0.09 1.00 1.35 -1.44 0.27 112.91 114.19 1k5g h THR 296 Ca -0.02 -0.13 -0.01 0.00 -0.55 0.00 0.00 66.41 65.71 1k5g h THR 296 Cb 0.13 -0.05 -0.00 0.00 -1.73 0.00 0.00 68.15 66.49 1k5g h THR 296 CO 0.02 0.07 0.02 0.58 -0.25 0.00 0.00 175.52 175.96 1k5g h VAL 297 N 0.37 1.19 -0.98 6.82 2.07 -1.00 0.25 116.25 124.96 1k5g h VAL 297 Ca 0.71 -0.57 0.10 0.00 0.82 0.00 0.00 66.70 67.76 1k5g h VAL 297 Cb 1.61 1.40 -0.08 0.00 -1.52 0.00 0.00 31.29 32.71 1k5g h VAL 297 CO -0.56 0.16 0.63 0.40 0.02 0.00 0.00 177.57 178.22 1k5g h ILE 298 N -0.06 0.98 0.55 4.57 2.04 0.16 0.31 117.51 126.07 1k5g h ILE 298 Ca 0.03 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 1k5g h ILE 298 Cb 0.24 -0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.18 1k5g h ILE 298 CO -0.00 0.19 -0.27 -0.78 0.00 0.00 0.00 178.15 177.29 1k5g h ASP 299 N 1.04 -0.63 0.03 1.72 3.58 -0.52 -2.67 116.42 118.97 1k5g h ASP 299 Ca 0.46 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.93 1k5g h ASP 299 Cb 0.37 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1k5g h ASP 299 CO -0.22 -0.25 -0.01 -0.33 -2.88 0.00 0.00 179.24 175.55 1k5g h GLU 300 N -1.15 -0.03 -0.06 0.28 5.08 -0.37 -3.39 114.58 114.94 1k5g h GLU 300 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1k5g h GLU 300 Cb 0.57 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1k5g h GLU 300 CO 0.12 0.35 0.00 1.63 -1.00 0.00 0.00 179.01 180.12 1k5g n LYS 301 N -4.92 1.21 -2.78 2.33 5.02 0.11 -4.72 118.16 114.41 1k5g n LYS 301 Ca -0.08 -1.46 -0.27 0.00 -2.02 0.00 0.00 58.31 54.48 1k5g n LYS 301 Cb 0.21 -1.29 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 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 0.83 3.33 0.27 1.97 2.81 -1.01 -3.85 117.12 121.46 1k5g n MET 302 Ca 0.09 -4.74 0.10 0.00 -1.81 0.00 0.00 57.70 51.34 1k5g n MET 302 Cb 0.38 -2.25 0.55 0.00 -0.71 0.00 0.00 33.22 31.19 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 2.86 0.00 -0.19 0.03 0.13 -1.77 -2.21 132.00 130.86 1k5g h PRO 303 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1k5g h PRO 303 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1k5g h PRO 303 CO 0.84 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.36 1k5g n ASP 304 N -2.51 2.76 -4.68 1.44 8.00 -1.26 -4.99 116.55 115.31 1k5g n ASP 304 Ca -0.01 -1.81 -0.46 0.00 0.71 0.00 0.00 54.79 53.22 1k5g n ASP 304 Cb 0.42 -0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.37 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 1.00 3.49 -0.01 0.64 7.94 -0.83 -4.50 117.00 124.73 1k5g n LEU 305 Ca 0.13 1.02 0.01 0.00 -1.11 0.00 0.00 56.01 56.06 1k5g n LEU 305 Cb 0.46 -1.44 -0.04 0.00 0.53 0.00 0.00 43.42 42.93 1k5g n LEU 305 CO 0.11 -0.07 -0.59 0.18 -1.11 0.00 0.00 177.39 175.91 1k5g n LEU 306 N 5.14 0.00 -3.88 -1.96 4.77 -0.42 -4.38 117.00 116.27 1k5g n LEU 306 Ca 0.19 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.02 1k5g n LEU 306 Cb 0.32 0.03 -0.15 0.00 -2.33 0.00 0.00 43.42 41.29 1k5g n LEU 306 CO 0.67 0.03 -0.38 -0.36 -1.33 0.00 0.00 177.39 176.03 1k5g s PHE 307 N -2.30 0.24 0.09 -1.77 0.40 -1.16 -2.93 117.98 110.54 1k5g s PHE 307 Ca -0.02 -0.03 0.03 0.00 -0.60 0.00 0.00 56.93 56.31 1k5g s PHE 307 Cb 0.03 -0.22 -0.04 0.00 0.51 0.00 0.00 43.02 43.30 1k5g s PHE 307 CO 0.22 -0.04 -0.08 -1.17 0.70 0.00 0.00 175.22 174.84 1k5g s LEU 308 N 0.27 2.43 -0.27 -0.37 2.96 -0.82 -1.38 118.68 121.50 1k5g s LEU 308 Ca -0.02 -0.85 -0.01 0.00 -0.22 0.00 0.00 54.13 53.02 1k5g s LEU 308 Cb -0.05 -0.19 0.15 0.00 0.50 0.00 0.00 46.19 46.60 1k5g s LEU 308 CO -0.01 -0.33 0.44 -1.61 -1.32 0.00 0.00 176.35 173.52 1k5g s GLU 309 N -3.03 0.42 0.00 1.98 2.02 -1.08 -2.87 118.70 116.13 1k5g s GLU 309 Ca 0.06 0.55 0.00 0.00 0.02 0.00 0.00 54.97 55.60 1k5g s GLU 309 Cb -0.01 -0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.02 1k5g s GLU 309 CO -0.02 -0.73 0.36 1.28 0.02 0.00 0.00 175.26 176.17 1k5g n LEU 310 N 5.38 0.72 -4.61 1.80 4.77 -1.26 -0.08 117.00 123.72 1k5g n LEU 310 Ca -0.02 -0.83 -0.49 0.00 -0.03 0.00 0.00 56.01 54.64 1k5g n LEU 310 Cb 0.50 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 1k5g n LEU 310 CO 0.03 0.18 0.91 -3.20 -1.33 0.00 0.00 177.39 173.98 1k5g n ASN 311 N -0.22 1.89 0.00 -1.43 5.15 -1.26 -2.65 115.26 116.73 1k5g n ASN 311 Ca 0.00 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.10 1k5g n ASN 311 Cb 0.01 -1.26 0.00 0.00 -0.53 0.00 0.00 39.78 38.00 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 2.48 0.69 0.00 8.20 0.00 -1.26 -2.25 105.19 113.05 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 -0.02 -3.71 1.61 3.02 -1.09 -3.27 115.26 111.81 1k5g n ASN 313 Ca 0.00 -0.36 -0.40 0.00 -0.03 0.00 0.00 54.58 53.79 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 -0.38 4.68 -3.64 3.52 1.74 -0.62 0.18 116.66 122.14 1k5g n ARG 314 Ca 0.00 -4.64 -0.07 0.00 -0.77 0.00 0.00 57.85 52.37 1k5g n ARG 314 Cb 0.00 -2.45 -0.07 0.00 -1.02 0.00 0.00 32.46 28.92 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 -3.53 -0.93 0.31 -1.55 -0.12 -1.26 -3.60 117.98 107.30 1k5g s PHE 315 Ca 0.37 1.90 -0.28 0.00 -0.05 0.00 0.00 56.93 58.86 1k5g s PHE 315 Cb 0.14 0.54 -0.13 0.00 -0.63 0.00 0.00 43.02 42.93 1k5g s PHE 315 CO -0.03 -0.46 1.13 0.45 -0.05 0.00 0.00 175.22 176.26 1k5g n SER 316 N 3.97 1.88 0.26 1.98 2.88 -1.26 -4.86 113.62 118.47 1k5g n SER 316 Ca -0.19 1.19 0.18 0.00 -1.33 0.00 0.00 58.87 58.72 1k5g n SER 316 Cb 0.58 -1.36 0.90 0.00 -0.75 0.00 0.00 64.21 63.58 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 2.28 0.00 0.02 -1.46 4.22 -1.99 -2.93 114.58 114.72 1k5g h GLU 317 Ca -0.42 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.02 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 0.62 0.00 -0.01 0.93 -2.18 0.00 0.00 179.01 178.37 1k5g h GLU 318 N 0.00 -0.02 0.00 1.92 4.39 -1.96 -3.47 114.58 115.43 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 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1k5g h GLU 318 CO 0.00 0.33 0.00 -0.25 -1.16 0.00 0.00 179.01 177.93 1k5g n ASP 319 N -4.74 0.00 -0.30 1.42 10.43 -1.11 -4.71 116.55 117.54 1k5g n ASP 319 Ca -0.04 0.00 -0.08 0.00 2.57 0.00 0.00 54.79 57.24 1k5g n ASP 319 Cb 0.17 0.00 -0.07 0.00 1.84 0.00 0.00 41.12 43.06 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 -0.76 -0.26 -2.24 8.00 -1.26 -1.90 116.55 118.13 1k5g n ASP 320 Ca 0.00 1.30 0.15 0.00 0.71 0.00 0.00 54.79 56.95 1k5g n ASP 320 Cb 0.00 -0.18 0.29 0.00 -0.02 0.00 0.00 41.12 41.21 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 -4.86 -0.33 0.01 2.53 0.24 -1.26 -1.42 118.33 113.25 1k5g n VAL 321 Ca 0.01 1.67 -0.05 0.00 -2.04 0.00 0.00 64.34 63.93 1k5g n VAL 321 Cb 0.19 -2.51 -0.03 0.00 -1.47 0.00 0.00 33.84 30.01 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 -0.97 3.34 2.07 -1.66 0.14 116.25 119.18 1k5g h VAL 322 Ca 0.52 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.22 1k5g h VAL 322 Cb 1.18 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.84 1k5g h VAL 322 CO -0.70 0.00 0.57 0.44 0.02 0.00 0.00 177.57 177.90 1k5g h ASP 323 N -0.22 0.73 -0.68 0.57 3.32 -1.42 0.16 116.42 118.88 1k5g h ASP 323 Ca 0.01 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.18 1k5g h ASP 323 Cb 0.24 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1k5g h ASP 323 CO -0.13 0.27 0.45 -0.33 -1.72 0.00 0.00 179.24 177.78 1k5g h GLU 324 N 0.74 0.81 0.17 3.56 5.08 -0.85 0.56 114.58 124.66 1k5g h GLU 324 Ca 0.55 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.85 1k5g h GLU 324 Cb 0.81 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1k5g h GLU 324 CO -0.37 0.54 -0.08 0.82 -1.00 0.00 0.00 179.01 178.91 1k5g h ILE 325 N 0.84 0.82 -0.93 3.13 2.04 0.20 -1.86 117.51 121.74 1k5g h ILE 325 Ca 0.27 -1.10 0.17 0.00 1.00 0.00 0.00 64.86 65.20 1k5g h ILE 325 Cb 0.03 1.37 -0.08 0.00 -0.74 0.00 0.00 36.82 37.40 1k5g h ILE 325 CO -0.07 0.21 0.59 0.03 0.00 0.00 0.00 178.15 178.91 1k5g h ARG 326 N -0.86 0.63 -0.46 2.37 2.47 -0.75 0.13 114.38 117.91 1k5g h ARG 326 Ca -0.02 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.62 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 0.42 0.14 1.49 0.56 0.00 0.00 179.97 182.62 1k5g h GLU 327 N 0.65 0.71 -0.71 0.04 4.22 0.18 -2.48 114.58 117.19 1k5g h GLU 327 Ca 0.49 -0.16 0.09 0.00 0.08 0.00 0.00 59.36 59.87 1k5g h GLU 327 Cb 0.87 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.95 1k5g h GLU 327 CO -0.24 0.69 0.35 0.28 -2.18 0.00 0.00 179.01 177.90 1k5g h VAL 328 N 0.61 0.84 -0.09 0.32 2.07 0.13 -0.72 116.25 119.40 1k5g h VAL 328 Ca 0.15 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.34 1k5g h VAL 328 Cb 0.27 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1k5g h VAL 328 CO -0.00 0.11 -0.49 -0.26 0.02 0.00 0.00 177.57 176.94 1k5g h PHE 329 N 0.59 0.28 0.36 1.57 0.05 -1.40 -2.79 116.94 115.60 1k5g h PHE 329 Ca 0.35 -0.09 -0.02 0.00 3.82 0.00 0.00 57.97 62.03 1k5g h PHE 329 Cb 0.38 -0.06 0.00 0.00 2.00 0.00 0.00 35.95 38.27 1k5g h PHE 329 CO -0.11 0.68 -0.17 0.77 -0.18 0.00 0.00 178.31 179.30 1k5g h SER 330 N 0.19 -0.41 -0.91 2.17 0.02 -0.72 0.39 113.55 114.28 1k5g h SER 330 Ca 0.01 -0.08 0.13 0.00 -0.84 0.00 0.00 61.79 61.01 1k5g h SER 330 Cb 0.94 0.11 -0.07 0.00 0.14 0.00 0.00 62.40 63.51 1k5g h SER 330 CO 0.08 -0.16 0.58 0.74 -1.14 0.00 0.00 176.83 176.93 1k5g h THR 331 N -0.65 0.86 -0.01 -2.27 2.02 -1.21 -1.41 112.91 110.24 1k5g h THR 331 Ca -0.05 -0.26 -0.21 0.00 0.77 0.00 0.00 66.41 66.66 1k5g h THR 331 Cb 0.47 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1k5g h THR 331 CO 0.08 0.14 -0.88 0.03 0.37 0.00 0.00 175.52 175.26 1k5g h ARG 332 N 0.77 0.34 0.00 6.66 3.08 -1.23 -3.47 114.38 120.52 1k5g h ARG 332 Ca 0.45 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1k5g h ARG 332 Cb 0.64 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1k5g h ARG 332 CO -0.22 1.03 0.00 0.41 -1.07 0.00 0.00 179.97 180.13 1k5g n GLY 333 N 0.85 1.24 2.68 0.04 0.00 0.13 -4.99 105.19 105.15 1k5g n GLY 333 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.49 0.19 0.00 1.61 3.52 -1.08 -4.99 118.95 117.71 1k5g s ARG 334 Ca 0.00 0.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.72 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 5.23 -0.04 0.00 8.12 0.00 -1.26 -4.70 105.19 112.54 1k5g n GLY 335 Ca -0.06 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.76 0.00 -3.14 1.61 2.13 -1.15 -4.92 120.64 114.41 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 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 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 4.00 0.89 4.31 2.96 -1.26 -1.94 118.68 127.64 1k5g s LEU 337 Ca 0.00 1.03 -0.11 0.00 -0.22 0.00 0.00 54.13 54.82 1k5g s LEU 337 Cb 0.00 -3.85 0.18 0.00 0.50 0.00 0.00 46.19 43.02 1k5g s LEU 337 CO 0.00 -0.24 1.23 1.51 -1.32 0.00 0.00 176.35 177.53 1k5g s ASP 338 N -2.80 3.45 -0.24 3.68 -4.77 -1.14 -4.94 116.67 109.91 1k5g s ASP 338 Ca 0.49 0.06 -0.24 0.00 -3.30 0.00 0.00 52.55 49.57 1k5g s ASP 338 Cb -0.11 -0.19 -0.01 0.00 -1.09 0.00 0.00 42.92 41.53 1k5g s ASP 338 CO 0.26 -2.50 0.79 -1.61 0.70 0.00 0.00 175.17 172.81 1k5g s GLU 339 N -5.68 4.17 -0.78 2.11 0.41 -1.26 -4.91 118.70 112.76 1k5g s GLU 339 Ca 0.72 0.86 -0.05 0.00 -0.41 0.00 0.00 54.97 56.09 1k5g s GLU 339 Cb -0.04 -3.65 0.01 0.00 -1.78 0.00 0.00 34.13 28.68 1k5g s GLU 339 CO 0.51 -0.50 2.80 1.28 -0.49 0.00 0.00 175.26 178.86 1k5g n LEU 340 N 5.94 7.02 -1.33 1.80 4.77 -1.26 -4.72 117.00 129.22 1k5g n LEU 340 Ca 0.04 -4.23 -0.06 0.00 -0.03 0.00 0.00 56.01 51.73 1k5g n LEU 340 Cb 0.48 -1.34 0.04 0.00 -2.33 0.00 0.00 43.42 40.28 1k5g n LEU 340 CO 0.46 1.87 0.73 -0.90 -1.33 0.00 0.00 177.39 178.22 1k5g n ASP 341 N 1.67 3.37 -0.79 -1.43 5.68 -1.26 -4.19 116.55 119.60 1k5g n ASP 341 Ca 0.55 -2.43 -0.04 0.00 -0.50 0.00 0.00 54.79 52.38 1k5g n ASP 341 Cb 0.48 -0.62 -0.04 0.00 -1.14 0.00 0.00 41.12 39.80 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 0.14 -0.61 -4.44 -1.12 2.03 -1.26 -5.05 116.55 106.23 1k5g n ASP 342 Ca 0.15 -1.51 -0.42 0.00 0.52 0.00 0.00 54.79 53.53 1k5g n ASP 342 Cb 0.78 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 41.36 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 0.53 -1.68 -0.67 2.81 -1.26 -4.35 117.12 112.51 1k5g n MET 343 Ca -0.17 0.19 -0.31 0.00 -1.81 0.00 0.00 57.70 55.60 1k5g n MET 343 Cb 0.59 -1.45 0.04 0.00 -0.71 0.00 0.00 33.22 31.69 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 -1.49 3.07 0.00 0.03 2.12 0.13 -4.94 118.70 117.61 1k5g s GLU 344 Ca 0.63 0.97 0.00 0.00 0.36 0.00 0.00 54.97 56.93 1k5g s GLU 344 Cb -0.63 -2.01 0.00 0.00 0.26 0.00 0.00 34.13 31.75 1k5g s GLU 344 CO 0.58 -1.00 0.00 0.39 -0.54 0.00 0.00 175.26 174.70