#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kk7 n SER 37 N 0.00 0.69 -4.74 8.00 3.41 -1.26 -4.98 113.62 114.74 3kk7 n SER 37 Ca 0.00 -0.84 -0.41 0.00 -0.26 0.00 0.00 58.87 57.35 3kk7 n SER 37 Cb 0.00 0.92 -0.03 0.00 -0.26 0.00 0.00 64.21 64.84 3kk7 n SER 37 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3kk7 s GLU 38 N -2.05 4.39 -0.05 4.33 2.12 -1.26 -4.40 118.70 121.77 3kk7 s GLU 38 Ca 0.05 2.06 0.03 0.00 0.36 0.00 0.00 54.97 57.47 3kk7 s GLU 38 Cb 0.09 -3.19 0.01 0.00 0.26 0.00 0.00 34.13 31.30 3kk7 s GLU 38 CO 0.47 -0.25 -0.13 -1.50 -0.54 0.00 0.00 175.26 173.30 3kk7 s ILE 39 N 0.08 1.17 -0.30 -3.70 2.07 0.13 -4.98 121.20 115.67 3kk7 s ILE 39 Ca 0.56 -0.53 -0.24 0.00 -1.41 0.00 0.00 60.65 59.04 3kk7 s ILE 39 Cb -0.37 -1.05 0.00 0.00 0.13 0.00 0.00 42.46 41.18 3kk7 s ILE 39 CO 0.39 0.36 0.80 -0.63 -1.91 0.00 0.00 174.94 173.95 3kk7 s ILE 40 N 0.44 4.79 -0.12 2.00 -1.09 -1.26 0.04 121.20 125.99 3kk7 s ILE 40 Ca -0.10 1.26 0.19 0.00 -2.23 0.00 0.00 60.65 59.76 3kk7 s ILE 40 Cb -0.14 -4.15 -0.22 0.00 -1.58 0.00 0.00 42.46 36.37 3kk7 s ILE 40 CO 0.03 -0.23 0.51 0.18 -1.23 0.00 0.00 174.94 174.20 3kk7 n LEU 41 N 6.20 0.36 -3.61 2.97 4.77 0.15 -4.83 117.00 123.01 3kk7 n LEU 41 Ca 0.04 0.16 -0.15 0.00 -0.03 0.00 0.00 56.01 56.03 3kk7 n LEU 41 Cb 0.48 0.17 -0.13 0.00 -2.33 0.00 0.00 43.42 41.61 3kk7 n LEU 41 CO 0.50 0.19 -0.17 -1.58 -1.33 0.00 0.00 177.39 175.01 3kk7 s GLN 42 N -2.98 0.14 0.67 3.23 0.74 -0.13 -4.96 119.66 116.38 3kk7 s GLN 42 Ca -0.06 0.57 -0.16 0.00 0.05 0.00 0.00 55.36 55.76 3kk7 s GLN 42 Cb 0.09 -0.39 0.01 0.00 1.10 0.00 0.00 33.01 33.83 3kk7 s GLN 42 CO 0.84 -0.39 1.17 -1.21 -0.55 0.00 0.00 175.29 175.15 3kk7 s GLU 43 N 2.38 2.58 0.24 1.67 0.41 -1.26 -1.04 118.70 123.68 3kk7 s GLU 43 Ca 0.03 1.64 -0.31 0.00 -0.41 0.00 0.00 54.97 55.92 3kk7 s GLU 43 Cb -0.13 -1.90 -0.12 0.00 -1.78 0.00 0.00 34.13 30.20 3kk7 s GLU 43 CO -0.09 -1.47 1.67 -2.13 -0.49 0.00 0.00 175.26 172.74 3kk7 n ARG 44 N -2.33 2.72 -1.68 1.61 0.63 -1.26 -4.54 116.66 111.81 3kk7 n ARG 44 Ca 0.12 0.98 -0.47 0.00 -0.92 0.00 0.00 57.85 57.56 3kk7 n ARG 44 Cb 0.51 -2.80 -0.04 0.00 0.45 0.00 0.00 32.46 30.58 3kk7 n ARG 44 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3kk7 n ASN 45 N 3.20 3.36 0.15 6.15 2.85 -0.31 -4.82 115.26 125.84 3kk7 n ASN 45 Ca 0.13 1.01 0.13 0.00 -0.11 0.00 0.00 54.58 55.74 3kk7 n ASN 45 Cb 0.35 -1.40 0.50 0.00 1.24 0.00 0.00 39.78 40.47 3kk7 n ASN 45 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 3kk7 h SER 46 N 8.08 0.00 0.93 1.20 4.64 -1.91 -2.36 113.55 124.13 3kk7 h SER 46 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3kk7 h SER 46 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3kk7 h SER 46 CO 0.93 0.00 -0.12 -1.54 -0.87 0.00 0.00 176.83 175.23 3kk7 n SER 47 N -2.35 0.18 -4.81 4.97 3.41 -1.26 -4.86 113.62 108.89 3kk7 n SER 47 Ca 0.02 0.34 -0.33 0.00 -0.26 0.00 0.00 58.87 58.65 3kk7 n SER 47 Cb 0.27 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 3kk7 n SER 47 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kk7 s LEU 48 N -3.14 3.67 0.85 1.04 1.43 -0.89 -5.04 118.68 116.60 3kk7 s LEU 48 Ca 0.13 1.77 -0.11 0.00 -1.03 0.00 0.00 54.13 54.89 3kk7 s LEU 48 Cb 0.18 -4.54 0.10 0.00 0.03 0.00 0.00 46.19 41.97 3kk7 s LEU 48 CO 0.57 -0.83 1.09 -2.16 0.23 0.00 0.00 176.35 175.26 3kk7 s PRO 49 N -3.75 1.66 -0.54 1.29 0.04 -1.26 -4.98 135.00 127.47 3kk7 s PRO 49 Ca 0.63 0.91 0.04 0.00 0.04 0.00 0.00 61.00 62.62 3kk7 s PRO 49 Cb -0.14 -1.85 0.38 0.00 0.04 0.00 0.00 34.50 32.94 3kk7 s PRO 49 CO 0.28 -1.98 1.12 0.54 0.04 0.00 0.00 177.00 177.00 3kk7 n ARG 50 N -3.72 3.40 -4.03 4.56 1.74 -1.26 -4.81 116.66 112.54 3kk7 n ARG 50 Ca 0.08 -4.60 -0.34 0.00 -0.77 0.00 0.00 57.85 52.21 3kk7 n ARG 50 Cb 0.55 -2.26 -0.15 0.00 -1.02 0.00 0.00 32.46 29.58 3kk7 n ARG 50 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kk7 s VAL 51 N -5.06 2.58 -0.53 1.55 1.01 -1.26 -5.00 120.40 113.69 3kk7 s VAL 51 Ca 0.48 -0.84 0.16 0.00 0.00 0.00 0.00 61.98 61.78 3kk7 s VAL 51 Cb 0.35 -2.17 -0.20 0.00 0.00 0.00 0.00 36.38 34.37 3kk7 s VAL 51 CO -0.18 0.43 0.58 0.79 0.00 0.00 0.00 175.10 176.72 3kk7 n TRP 52 N 4.67 0.00 -3.62 5.22 5.03 -1.26 -4.63 117.44 122.85 3kk7 n TRP 52 Ca -0.19 0.00 -0.14 0.00 3.03 0.00 0.00 57.50 60.20 3kk7 n TRP 52 Cb 0.50 -0.11 -0.06 0.00 -1.03 0.00 0.00 31.31 30.60 3kk7 n TRP 52 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 3kk7 s SER 53 N -2.91 -0.38 -0.14 -0.99 1.04 -1.26 -4.71 113.70 104.35 3kk7 s SER 53 Ca 0.02 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.58 3kk7 s SER 53 Cb 0.11 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.72 3kk7 s SER 53 CO 0.66 -0.68 -0.11 -1.59 0.98 0.00 0.00 173.24 172.50 3kk7 s LYS 54 N -2.33 1.94 -1.30 4.02 -2.85 -1.23 -5.04 119.74 112.94 3kk7 s LYS 54 Ca -0.06 -0.47 -0.13 0.00 -1.00 0.00 0.00 55.97 54.31 3kk7 s LYS 54 Cb -0.01 -1.94 -0.04 0.00 -2.06 0.00 0.00 37.83 33.78 3kk7 s LYS 54 CO -0.01 -0.28 2.35 0.36 0.10 0.00 0.00 175.35 177.88 3kk7 n LYS 55 N 4.83 2.72 0.00 1.78 -0.00 -1.26 -4.74 118.16 121.49 3kk7 n LYS 55 Ca -0.15 -2.20 0.00 0.00 -0.00 0.00 0.00 58.31 55.97 3kk7 n LYS 55 Cb 0.50 -2.97 0.00 0.00 -0.00 0.00 0.00 35.03 32.55 3kk7 n LYS 55 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3kk7 n THR 56 N 4.74 0.00 0.00 0.58 -2.24 -1.26 -5.18 114.28 110.91 3kk7 n THR 56 Ca 0.58 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.36 3kk7 n THR 56 Cb 0.31 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 3kk7 n THR 56 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3kk7 n PHE 66 N 0.00 0.00 -0.12 4.78 3.72 -1.26 -5.17 117.46 119.41 3kk7 n PHE 66 Ca 0.00 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.47 3kk7 n PHE 66 Cb 0.00 0.00 0.18 0.00 -0.94 0.00 0.00 39.48 38.72 3kk7 n PHE 66 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3kk7 n THR 67 N 0.00 0.88 -3.78 4.37 -2.24 -1.26 -4.99 114.28 107.26 3kk7 n THR 67 Ca 0.00 -0.94 -0.13 0.00 -2.27 0.00 0.00 64.05 60.71 3kk7 n THR 67 Cb 0.00 0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 68.72 3kk7 n THR 67 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kk7 s ASP 68 N -1.02 -0.24 0.48 3.42 2.15 -1.26 -5.04 116.67 115.16 3kk7 s ASP 68 Ca 0.28 0.36 0.26 0.00 0.43 0.00 0.00 52.55 53.88 3kk7 s ASP 68 Cb 0.15 0.47 1.18 0.00 -0.30 0.00 0.00 42.92 44.42 3kk7 s ASP 68 CO 0.20 -0.23 1.94 0.00 -0.17 0.00 0.00 175.17 176.91 3kk7 h ALA 69 N 5.02 1.11 -0.00 3.66 0.00 -1.95 -2.39 119.26 124.72 3kk7 h ALA 69 Ca -0.28 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3kk7 h ALA 69 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3kk7 h ALA 69 CO 0.35 0.21 -0.01 0.25 0.00 0.00 0.00 179.25 180.06 3kk7 n THR 70 N -3.46 0.00 1.12 0.00 -2.24 -1.26 -4.04 114.28 104.41 3kk7 n THR 70 Ca -0.01 -0.01 0.10 0.00 -2.27 0.00 0.00 64.05 61.86 3kk7 n THR 70 Cb 0.34 -0.43 0.34 0.00 -2.10 0.00 0.00 70.33 68.49 3kk7 n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kk7 n ASP 71 N -1.07 1.83 0.05 3.42 8.00 -0.90 -3.68 116.55 124.20 3kk7 n ASP 71 Ca 0.19 -1.76 0.11 0.00 0.71 0.00 0.00 54.79 54.05 3kk7 n ASP 71 Cb 0.19 -0.13 0.02 0.00 -0.02 0.00 0.00 41.12 41.18 3kk7 n ASP 71 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3kk7 n PHE 72 N 0.44 0.44 -2.01 1.24 3.72 -1.26 -4.82 117.46 115.21 3kk7 n PHE 72 Ca 0.16 0.13 -0.42 0.00 -0.05 0.00 0.00 57.45 57.27 3kk7 n PHE 72 Cb 0.35 -0.59 -0.03 0.00 -0.94 0.00 0.00 39.48 38.27 3kk7 n PHE 72 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3kk7 s LEU 73 N -4.36 4.37 0.00 4.37 2.96 -1.24 -1.77 118.68 123.01 3kk7 s LEU 73 Ca 0.02 2.55 0.00 0.00 -0.22 0.00 0.00 54.13 56.48 3kk7 s LEU 73 Cb 0.13 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.22 3kk7 s LEU 73 CO 0.80 -0.75 0.00 0.61 -1.32 0.00 0.00 176.35 175.69 3kk7 n GLY 74 N 3.31 0.85 3.91 7.98 0.00 -0.56 -4.93 105.19 115.76 3kk7 n GLY 74 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 3kk7 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kk7 s SER 76 N -4.13 6.02 -0.07 0.00 1.04 0.06 -0.52 113.70 116.11 3kk7 s SER 76 Ca 0.48 1.89 0.04 0.00 0.48 0.00 0.00 55.95 58.84 3kk7 s SER 76 Cb -0.10 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.47 3kk7 s SER 76 CO 0.44 -1.00 -0.19 -0.47 0.98 0.00 0.00 173.24 173.00 3kk7 s TYR 77 N -2.19 2.00 -0.35 5.02 6.14 0.14 -1.04 117.35 127.07 3kk7 s TYR 77 Ca 0.66 -0.74 -0.12 0.00 0.64 0.00 0.00 57.07 57.51 3kk7 s TYR 77 Cb -0.17 -1.37 -0.01 0.00 0.42 0.00 0.00 41.96 40.84 3kk7 s TYR 77 CO 0.29 -0.31 0.23 0.00 0.64 0.00 0.00 175.55 176.40 3kk7 s ALA 78 N 0.36 3.45 -0.11 3.97 0.00 -0.40 -1.72 121.76 127.31 3kk7 s ALA 78 Ca -0.13 -1.45 -0.06 0.00 0.00 0.00 0.00 51.96 50.32 3kk7 s ALA 78 Cb -0.16 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 3kk7 s ALA 78 CO 0.05 -1.04 -0.12 0.28 0.00 0.00 0.00 175.76 174.93 3kk7 h VAL 79 N 5.56 0.00 -0.16 0.00 2.07 -1.93 -3.30 116.25 118.50 3kk7 h VAL 79 Ca -0.31 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 3kk7 h VAL 79 Cb 1.15 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3kk7 h VAL 79 CO 0.64 0.00 -0.03 -0.08 0.02 0.00 0.00 177.57 178.12 3kk7 h GLU 80 N -0.86 0.30 -0.62 1.57 4.81 -1.93 -2.77 114.58 115.07 3kk7 h GLU 80 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3kk7 h GLU 80 Cb 0.34 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3kk7 h GLU 80 CO 0.00 0.56 0.00 0.09 -0.73 0.00 0.00 179.01 178.93 3kk7 n ASN 81 N -4.70 3.83 -2.66 1.04 5.03 -1.26 -4.36 115.26 112.17 3kk7 n ASN 81 Ca -0.05 -2.29 0.00 0.00 0.87 0.00 0.00 54.58 53.11 3kk7 n ASN 81 Cb 0.25 -0.50 0.00 0.00 -1.02 0.00 0.00 39.78 38.51 3kk7 n ASN 81 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kk7 n GLY 82 N 1.08 -0.98 0.13 7.41 0.00 -1.05 -4.97 105.19 106.82 3kk7 n GLY 82 Ca 0.21 -1.63 0.01 0.00 0.00 0.00 0.00 46.02 44.61 3kk7 n GLY 82 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kk7 h THR 83 N -0.40 0.95 0.00 2.61 1.35 -1.84 -3.48 112.91 112.10 3kk7 h THR 83 Ca 0.00 -2.37 0.00 0.00 -0.55 0.00 0.00 66.41 63.49 3kk7 h THR 83 Cb 0.00 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 3kk7 h THR 83 CO 0.00 0.54 0.00 -1.54 -0.25 0.00 0.00 175.52 174.27 3kk7 n SER 84 N -3.22 -1.16 -4.63 5.36 3.41 -1.26 -4.87 113.62 107.26 3kk7 n SER 84 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 3kk7 n SER 84 Cb 0.77 -0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 64.48 3kk7 n SER 84 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3kk7 s ILE 85 N -2.69 4.81 -0.05 -1.33 -1.09 -1.26 -4.86 121.20 114.73 3kk7 s ILE 85 Ca 0.00 1.39 -0.30 0.00 -2.23 0.00 0.00 60.65 59.52 3kk7 s ILE 85 Cb 0.00 -4.13 -0.07 0.00 -1.58 0.00 0.00 42.46 36.68 3kk7 s ILE 85 CO 0.00 -0.16 1.81 -0.63 -1.23 0.00 0.00 174.94 174.73 3kk7 s ILE 86 N 2.91 3.33 0.00 2.92 1.01 -1.26 -1.91 121.20 128.21 3kk7 s ILE 86 Ca 0.34 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.38 3kk7 s ILE 86 Cb -0.15 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.05 3kk7 s ILE 86 CO 0.10 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.59 3kk7 n GLY 87 N 4.46 0.73 3.67 6.18 0.00 -1.26 -4.52 105.19 114.46 3kk7 n GLY 87 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3kk7 n GLY 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kk7 s ASP 88 N -2.90 6.50 0.53 1.61 -1.08 -0.80 -3.06 116.67 117.47 3kk7 s ASP 88 Ca 0.00 2.61 0.24 0.00 -0.52 0.00 0.00 52.55 54.88 3kk7 s ASP 88 Cb 0.00 -2.55 1.38 0.00 -1.46 0.00 0.00 42.92 40.30 3kk7 s ASP 88 CO 0.00 -1.00 2.01 2.19 0.52 0.00 0.00 175.17 178.89 3kk7 h PHE 89 N 9.54 0.00 -0.05 -5.34 -5.15 -1.91 0.17 116.94 114.21 3kk7 h PHE 89 Ca -0.46 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.32 3kk7 h PHE 89 Cb 1.22 -0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.38 3kk7 h PHE 89 CO 0.87 0.00 0.16 0.00 -2.00 0.00 0.00 178.31 177.35 3kk7 h ALA 90 N 1.76 1.32 -0.00 12.09 0.00 -1.97 -0.94 119.26 131.52 3kk7 h ALA 90 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3kk7 h ALA 90 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3kk7 h ALA 90 CO -0.00 -0.19 -0.23 0.09 0.00 0.00 0.00 179.25 178.92 3kk7 n ASN 91 N -3.21 0.64 -4.69 0.00 3.02 0.59 -4.79 115.26 106.83 3kk7 n ASN 91 Ca -0.02 -0.54 -0.42 0.00 -0.03 0.00 0.00 54.58 53.57 3kk7 n ASN 91 Cb 0.24 0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.41 3kk7 n ASN 91 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kk7 s ALA 92 N -2.63 3.53 0.00 5.41 0.00 -0.36 -1.27 121.76 126.44 3kk7 s ALA 92 Ca 0.23 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3kk7 s ALA 92 Cb 0.19 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3kk7 s ALA 92 CO 0.54 -0.82 0.00 1.63 0.00 0.00 0.00 175.76 177.11 3kk7 n LYS 93 N 5.24 0.00 -4.24 0.00 4.76 -0.21 -4.99 118.16 118.72 3kk7 n LYS 93 Ca 0.12 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.40 3kk7 n LYS 93 Cb 0.45 -0.04 -0.11 0.00 -1.84 0.00 0.00 35.03 33.49 3kk7 n LYS 93 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3kk7 s TYR 94 N -0.12 1.32 0.21 2.13 2.02 -1.26 -4.89 117.35 116.77 3kk7 s TYR 94 Ca 0.00 -0.64 -0.31 0.00 -0.37 0.00 0.00 57.07 55.75 3kk7 s TYR 94 Cb 0.00 -0.68 -0.10 0.00 -0.40 0.00 0.00 41.96 40.78 3kk7 s TYR 94 CO 0.00 0.12 1.56 -2.14 -1.57 0.00 0.00 175.55 173.52 3kk7 s PRO 95 N -3.16 4.20 -0.22 -1.71 0.02 -1.26 -0.76 135.00 132.12 3kk7 s PRO 95 Ca 0.12 2.41 -0.16 0.00 0.02 0.00 0.00 61.00 63.39 3kk7 s PRO 95 Cb -0.02 -3.11 -0.09 0.00 0.02 0.00 0.00 34.50 31.30 3kk7 s PRO 95 CO 0.02 -0.59 -0.31 0.28 -0.33 0.00 0.00 177.00 176.07 3kk7 n VAL 96 N 3.34 1.51 -2.97 3.83 0.31 -0.01 -4.58 118.33 119.76 3kk7 n VAL 96 Ca 0.12 -0.07 -0.37 0.00 -0.01 0.00 0.00 64.34 64.00 3kk7 n VAL 96 Cb 0.38 -2.15 -0.06 0.00 -0.91 0.00 0.00 33.84 31.10 3kk7 n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3kk7 s VAL 97 N -2.68 4.40 0.38 2.52 1.01 -0.77 -0.51 120.40 124.76 3kk7 s VAL 97 Ca -0.32 1.57 -0.00 0.00 0.00 0.00 0.00 61.98 63.23 3kk7 s VAL 97 Cb 0.08 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3kk7 s VAL 97 CO 0.45 0.29 0.60 0.21 0.00 0.00 0.00 175.10 176.65 3kk7 s ASN 98 N -1.49 6.20 0.00 3.32 3.84 0.16 -4.50 114.94 122.47 3kk7 s ASN 98 Ca 0.43 0.48 0.00 0.00 0.21 0.00 0.00 52.86 53.98 3kk7 s ASN 98 Cb -0.19 -1.96 0.00 0.00 -0.55 0.00 0.00 41.25 38.55 3kk7 s ASN 98 CO 0.24 -0.41 0.00 1.17 -2.79 0.00 0.00 177.10 175.30 3kk7 n LYS 100 N -1.90 0.00 0.06 0.43 4.81 -1.26 -1.03 118.16 119.26 3kk7 n LYS 100 Ca -0.03 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.37 3kk7 n LYS 100 Cb 0.56 0.00 0.18 0.00 0.02 0.00 0.00 35.03 35.79 3kk7 n LYS 100 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3kk7 h LYS 101 N 0.00 0.35 0.04 1.64 1.57 -1.98 -2.96 116.57 115.24 3kk7 h LYS 101 Ca 0.00 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3kk7 h LYS 101 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kk7 h LYS 101 CO 0.00 0.71 -0.02 1.25 -0.57 0.00 0.00 179.45 180.82 3kk7 h LEU 102 N 0.29 -0.05 -1.64 2.94 5.85 -1.41 -3.23 115.31 118.06 3kk7 h LEU 102 Ca 0.02 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 3kk7 h LEU 102 Cb 0.87 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 3kk7 h LEU 102 CO 0.07 0.23 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.23 3kk7 h LEU 103 N -0.33 0.00 -0.34 2.25 3.38 -1.77 0.18 115.31 118.68 3kk7 h LEU 103 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kk7 h LEU 103 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3kk7 h LEU 103 CO 0.01 0.10 0.21 -0.33 0.09 0.00 0.00 178.44 178.52 3kk7 h GLU 104 N 0.00 0.45 0.09 1.13 5.08 -1.54 -2.03 114.58 117.76 3kk7 h GLU 104 Ca -0.00 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 3kk7 h GLU 104 Cb 0.48 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.65 3kk7 h GLU 104 CO 0.01 0.32 -0.57 -0.09 -1.00 0.00 0.00 179.01 177.69 3kk7 h ARG 105 N 0.45 0.19 -2.64 2.33 9.65 -1.46 -3.42 114.38 119.48 3kk7 h ARG 105 Ca 0.12 -0.33 -0.61 0.00 -1.10 0.00 0.00 59.98 58.06 3kk7 h ARG 105 Cb -0.02 0.12 -0.42 0.00 -1.39 0.00 0.00 29.97 28.27 3kk7 h ARG 105 CO -0.02 1.16 -0.59 0.66 2.80 0.00 0.00 179.97 183.97 3kk7 n TYR 106 N -4.28 3.34 0.08 2.20 4.01 0.58 -4.95 117.16 118.13 3kk7 n TYR 106 Ca -0.13 -4.22 0.19 0.00 -0.16 0.00 0.00 57.90 53.58 3kk7 n TYR 106 Cb 0.71 -0.58 0.74 0.00 -0.31 0.00 0.00 39.34 39.90 3kk7 n TYR 106 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3kk7 h PRO 107 N 4.80 0.00 -0.04 -0.72 0.11 -1.61 -0.57 132.00 133.97 3kk7 h PRO 107 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3kk7 h PRO 107 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 3kk7 h PRO 107 CO 0.77 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.43 3kk7 n SER 108 N -4.08 0.62 0.01 -2.05 3.41 -1.26 -3.61 113.62 106.66 3kk7 n SER 108 Ca 0.07 -1.39 0.09 0.00 -0.26 0.00 0.00 58.87 57.38 3kk7 n SER 108 Cb 0.53 -0.02 0.41 0.00 -0.26 0.00 0.00 64.21 64.86 3kk7 n SER 108 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3kk7 n TYR 109 N -0.43 0.08 -4.35 7.33 4.02 -0.22 -4.63 117.16 118.95 3kk7 n TYR 109 Ca 0.18 0.03 -0.33 0.00 -0.01 0.00 0.00 57.90 57.76 3kk7 n TYR 109 Cb 0.18 -0.54 -0.09 0.00 -0.02 0.00 0.00 39.34 38.87 3kk7 n TYR 109 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 3kk7 s ILE 110 N -3.02 4.11 -0.33 -0.72 2.07 -1.24 -0.62 121.20 121.46 3kk7 s ILE 110 Ca 0.09 -0.52 -0.01 0.00 -1.41 0.00 0.00 60.65 58.80 3kk7 s ILE 110 Cb 0.12 -2.79 0.13 0.00 0.13 0.00 0.00 42.46 40.05 3kk7 s ILE 110 CO 0.35 0.45 0.23 0.21 -1.91 0.00 0.00 174.94 174.27 3kk7 s ASN 111 N -1.32 2.64 0.18 4.50 3.84 -0.21 -4.98 114.94 119.59 3kk7 s ASN 111 Ca 0.17 -1.65 -0.16 0.00 0.21 0.00 0.00 52.86 51.44 3kk7 s ASN 111 Cb -0.11 -0.10 -0.07 0.00 -0.55 0.00 0.00 41.25 40.41 3kk7 s ASN 111 CO 0.07 -0.35 0.61 -2.16 -2.79 0.00 0.00 177.10 172.48 3kk7 s PRO 112 N 1.59 4.05 -0.12 0.43 0.04 -1.26 -2.12 135.00 137.60 3kk7 s PRO 112 Ca 0.14 0.60 -0.04 0.00 0.04 0.00 0.00 61.00 61.74 3kk7 s PRO 112 Cb -0.19 -2.88 0.05 0.00 0.04 0.00 0.00 34.50 31.52 3kk7 s PRO 112 CO -0.15 0.43 0.08 0.21 0.04 0.00 0.00 177.00 177.62 3kk7 s LYS 113 N -2.04 0.01 0.20 4.56 2.20 -1.26 -5.02 119.74 118.39 3kk7 s LYS 113 Ca 0.40 0.12 -0.32 0.00 -0.36 0.00 0.00 55.97 55.81 3kk7 s LYS 113 Cb -0.15 -1.28 -0.12 0.00 -1.51 0.00 0.00 37.83 34.77 3kk7 s LYS 113 CO 0.20 -0.53 1.70 0.39 -0.36 0.00 0.00 175.35 176.75 3kk7 n GLU 114 N 5.29 2.68 -4.31 4.03 1.02 -1.26 -4.65 120.64 123.43 3kk7 n GLU 114 Ca -0.05 0.97 -0.25 0.00 -0.02 0.00 0.00 57.16 57.80 3kk7 n GLU 114 Cb 0.49 -2.80 -0.09 0.00 -0.02 0.00 0.00 31.44 29.03 3kk7 n GLU 114 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kk7 s LEU 115 N 1.18 3.01 -0.40 -4.62 1.43 -0.50 -4.95 118.68 113.84 3kk7 s LEU 115 Ca 0.76 -1.09 0.07 0.00 -1.03 0.00 0.00 54.13 52.83 3kk7 s LEU 115 Cb -0.53 -1.30 0.17 0.00 0.03 0.00 0.00 46.19 44.56 3kk7 s LEU 115 CO 0.33 -0.39 0.57 -0.13 0.23 0.00 0.00 176.35 176.96 3kk7 s ARG 116 N -3.79 0.78 0.32 1.70 1.81 -1.21 -4.14 118.95 114.43 3kk7 s ARG 116 Ca 0.37 -0.43 -0.11 0.00 -1.72 0.00 0.00 55.73 53.84 3kk7 s ARG 116 Cb 0.03 -0.11 0.02 0.00 -0.45 0.00 0.00 34.95 34.44 3kk7 s ARG 116 CO 0.20 -1.19 0.58 -0.08 -0.68 0.00 0.00 175.30 174.13 3kk7 s THR 117 N 1.72 0.00 0.07 0.02 -1.32 0.44 -5.01 115.64 111.57 3kk7 s THR 117 Ca 0.16 -1.33 0.06 0.00 -1.21 0.00 0.00 61.69 59.37 3kk7 s THR 117 Cb -0.07 -2.50 -0.03 0.00 -1.51 0.00 0.00 72.50 68.39 3kk7 s THR 117 CO -0.06 0.00 -0.17 0.42 -2.21 0.00 0.00 174.62 172.61 3kk7 s THR 118 N -3.26 1.33 -0.04 5.08 -4.23 -1.26 0.14 115.64 113.41 3kk7 s THR 118 Ca 0.22 -1.28 -0.01 0.00 -1.18 0.00 0.00 61.69 59.44 3kk7 s THR 118 Cb -0.02 -1.23 0.03 0.00 1.34 0.00 0.00 72.50 72.62 3kk7 s THR 118 CO 0.13 -0.08 0.07 -0.70 -0.54 0.00 0.00 174.62 173.51 3kk7 s GLU 119 N -1.57 -0.01 -0.23 3.99 2.56 -0.49 -4.96 118.70 117.98 3kk7 s GLU 119 Ca 0.02 0.29 0.02 0.00 0.00 0.00 0.00 54.97 55.30 3kk7 s GLU 119 Cb -0.09 -0.27 0.05 0.00 2.00 0.00 0.00 34.13 35.82 3kk7 s GLU 119 CO 0.02 -0.20 -0.14 -0.08 -0.56 0.00 0.00 175.26 174.31 3kk7 s THR 120 N 1.32 2.11 -0.05 -1.70 -1.32 -1.26 -0.81 115.64 113.92 3kk7 s THR 120 Ca -0.07 -1.41 0.04 0.00 -1.21 0.00 0.00 61.69 59.04 3kk7 s THR 120 Cb -0.12 -2.13 0.00 0.00 -1.51 0.00 0.00 72.50 68.74 3kk7 s THR 120 CO -0.04 0.14 -0.16 -0.54 -2.21 0.00 0.00 174.62 171.81 3kk7 s LYS 121 N 1.17 1.83 0.02 7.08 1.02 -0.33 -4.99 119.74 125.54 3kk7 s LYS 121 Ca -0.05 -0.56 0.04 0.00 0.02 0.00 0.00 55.97 55.43 3kk7 s LYS 121 Cb -0.18 -1.54 -0.02 0.00 -0.52 0.00 0.00 37.83 35.58 3kk7 s LYS 121 CO -0.07 0.16 -0.13 0.00 -0.92 0.00 0.00 175.35 174.39 3kk7 s ALA 122 N 0.26 1.12 -0.03 5.17 0.00 -1.26 0.04 121.76 127.07 3kk7 s ALA 122 Ca -0.08 -0.73 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 3kk7 s ALA 122 Cb -0.13 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.81 3kk7 s ALA 122 CO 0.03 0.23 0.03 -1.17 0.00 0.00 0.00 175.76 174.88 3kk7 s LEU 123 N -0.85 0.93 -0.07 0.00 2.96 0.99 -5.00 118.68 117.64 3kk7 s LEU 123 Ca 0.03 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 3kk7 s LEU 123 Cb -0.07 -0.14 -0.03 0.00 0.50 0.00 0.00 46.19 46.46 3kk7 s LEU 123 CO 0.01 -0.14 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.35 3kk7 s SER 124 N 1.27 4.33 -0.17 3.68 0.01 -1.26 0.05 113.70 121.61 3kk7 s SER 124 Ca -0.07 -0.13 -0.09 0.00 1.31 0.00 0.00 55.95 56.98 3kk7 s SER 124 Cb -0.13 -1.10 0.07 0.00 0.21 0.00 0.00 66.02 65.07 3kk7 s SER 124 CO -0.03 0.33 0.41 -0.72 0.41 0.00 0.00 173.24 173.64 3kk7 s TYR 125 N -0.62 -0.64 -0.64 2.43 1.13 0.50 -4.88 117.35 114.64 3kk7 s TYR 125 Ca 0.09 1.32 0.26 0.00 -1.41 0.00 0.00 57.07 57.33 3kk7 s TYR 125 Cb -0.11 0.26 0.79 0.00 -1.10 0.00 0.00 41.96 41.80 3kk7 s TYR 125 CO 0.01 -0.37 1.75 0.77 -2.51 0.00 0.00 175.55 175.21 3kk7 h SER 126 N 7.38 0.00 -2.23 -0.18 0.02 -1.87 -0.26 113.55 116.40 3kk7 h SER 126 Ca -0.32 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 60.71 3kk7 h SER 126 Cb 1.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 3kk7 h SER 126 CO 0.26 0.00 0.39 -0.90 -1.14 0.00 0.00 176.83 175.43 3kk7 n ASP 127 N -2.40 -1.48 -0.25 3.07 5.68 -1.26 -4.68 116.55 115.23 3kk7 n ASP 127 Ca 0.05 -1.86 0.12 0.00 -0.50 0.00 0.00 54.79 52.59 3kk7 n ASP 127 Cb 0.41 2.42 0.57 0.00 -1.14 0.00 0.00 41.12 43.39 3kk7 n ASP 127 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3kk7 n PHE 128 N -0.52 0.06 -0.07 2.11 3.72 -1.26 -2.04 117.46 119.47 3kk7 n PHE 128 Ca -0.03 -0.03 -0.17 0.00 -0.05 0.00 0.00 57.45 57.17 3kk7 n PHE 128 Cb 0.45 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.86 3kk7 n PHE 128 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3kk7 n ASP 129 N -0.33 1.62 0.26 4.37 8.00 -1.26 -4.20 116.55 125.02 3kk7 n ASP 129 Ca 0.17 0.06 0.10 0.00 0.71 0.00 0.00 54.79 55.83 3kk7 n ASP 129 Cb 0.20 -0.32 0.68 0.00 -0.02 0.00 0.00 41.12 41.67 3kk7 n ASP 129 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3kk7 h ARG 130 N 0.02 0.00 -1.29 -1.24 2.47 -1.86 -2.31 114.38 110.17 3kk7 h ARG 130 Ca -0.49 0.00 0.39 0.00 -1.26 0.00 0.00 59.98 58.62 3kk7 h ARG 130 Cb 2.01 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 30.22 3kk7 h ARG 130 CO 0.00 0.10 0.86 1.25 0.56 0.00 0.00 179.97 182.74 3kk7 h LEU 131 N 0.00 0.24 -3.68 3.04 5.85 -1.58 0.13 115.31 119.32 3kk7 h LEU 131 Ca -0.00 0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.65 3kk7 h LEU 131 Cb 0.22 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.22 3kk7 h LEU 131 CO 0.01 -0.08 0.21 -0.62 -0.34 0.00 0.00 178.44 177.62 3kk7 n GLU 132 N -4.55 4.04 0.25 1.25 -0.58 -0.87 -4.59 120.64 115.60 3kk7 n GLU 132 Ca 0.33 -3.08 0.08 0.00 -0.42 0.00 0.00 57.16 54.08 3kk7 n GLU 132 Cb 1.32 -2.23 0.63 0.00 -0.57 0.00 0.00 31.44 30.59 3kk7 n GLU 132 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 3kk7 h LYS 133 N 3.02 0.00 -0.48 3.49 2.10 -0.89 0.13 116.57 123.93 3kk7 h LYS 133 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 3kk7 h LYS 133 Cb 2.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.59 3kk7 h LYS 133 CO 0.68 0.04 0.00 0.09 -2.00 0.00 0.00 179.45 178.27 3kk7 n ASN 134 N -4.42 5.17 -4.17 7.07 3.02 -1.26 -4.95 115.26 115.71 3kk7 n ASN 134 Ca -0.03 -2.95 -0.35 0.00 -0.03 0.00 0.00 54.58 51.22 3kk7 n ASN 134 Cb 0.13 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 38.64 3kk7 n ASN 134 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kk7 n LYS 135 N 0.29 -3.46 -0.10 3.52 5.02 0.46 -4.87 118.16 119.03 3kk7 n LYS 135 Ca 0.26 0.40 -0.10 0.00 -2.02 0.00 0.00 58.31 56.85 3kk7 n LYS 135 Cb 1.10 -5.16 -0.03 0.00 -0.02 0.00 0.00 35.03 30.93 3kk7 n LYS 135 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3kk7 h THR 136 N -1.55 1.19 0.06 -0.18 2.02 -1.85 -1.75 112.91 110.84 3kk7 h THR 136 Ca -0.58 -0.58 -0.11 0.00 0.77 0.00 0.00 66.41 65.90 3kk7 h THR 136 Cb 1.38 1.01 0.01 0.00 -1.74 0.00 0.00 68.15 68.81 3kk7 h THR 136 CO 0.76 0.20 -0.48 0.15 0.37 0.00 0.00 175.52 176.52 3kk7 h PHE 137 N 0.33 0.37 -0.89 3.16 3.57 -1.91 -3.36 116.94 118.22 3kk7 h PHE 137 Ca 0.10 -0.24 0.25 0.00 3.53 0.00 0.00 57.97 61.60 3kk7 h PHE 137 Cb 0.20 -0.03 -0.15 0.00 2.79 0.00 0.00 35.95 38.77 3kk7 h PHE 137 CO -0.00 1.13 0.23 1.15 -2.23 0.00 0.00 178.31 178.59 3kk7 h THR 138 N -0.49 0.28 0.00 4.41 2.02 -1.93 0.43 112.91 117.63 3kk7 h THR 138 Ca -0.08 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3kk7 h THR 138 Cb 1.31 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3kk7 h THR 138 CO 0.09 0.03 0.00 2.29 0.37 0.00 0.00 175.52 178.30 3kk7 n LYS 139 N -5.25 0.05 0.11 6.66 2.85 -0.67 -2.72 118.16 119.20 3kk7 n LYS 139 Ca 0.22 0.04 0.13 0.00 -1.05 0.00 0.00 58.31 57.64 3kk7 n LYS 139 Cb 0.72 -1.50 0.45 0.00 -0.65 0.00 0.00 35.03 34.04 3kk7 n LYS 139 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3kk7 n THR 140 N -1.47 0.69 -3.84 0.58 -2.24 0.14 -0.72 114.28 107.42 3kk7 n THR 140 Ca 0.07 -0.05 -0.36 0.00 -2.27 0.00 0.00 64.05 61.44 3kk7 n THR 140 Cb 0.30 -0.84 -0.07 0.00 -2.10 0.00 0.00 70.33 67.63 3kk7 n THR 140 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kk7 s VAL 141 N -3.19 5.48 0.06 2.28 1.01 -1.10 -0.55 120.40 124.38 3kk7 s VAL 141 Ca 0.08 0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.98 3kk7 s VAL 141 Cb 0.11 -3.42 -0.15 0.00 0.00 0.00 0.00 36.38 32.92 3kk7 s VAL 141 CO 0.50 0.57 0.70 1.17 0.00 0.00 0.00 175.10 178.04 3kk7 n LYS 142 N 2.40 0.00 -2.06 2.72 4.81 -0.04 -4.41 118.16 121.59 3kk7 n LYS 142 Ca -0.19 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.84 3kk7 n LYS 142 Cb 0.54 -1.05 -0.02 0.00 0.02 0.00 0.00 35.03 34.52 3kk7 n LYS 142 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3kk7 s SER 143 N -0.28 6.70 0.00 3.14 0.15 -1.26 -2.57 113.70 119.59 3kk7 s SER 143 Ca 0.65 2.64 0.00 0.00 0.70 0.00 0.00 55.95 59.94 3kk7 s SER 143 Cb -0.91 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 60.77 3kk7 s SER 143 CO 0.45 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.85 3kk7 n GLY 144 N 1.94 2.06 3.74 9.45 0.00 -1.26 -5.04 105.19 116.09 3kk7 n GLY 144 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3kk7 n GLY 144 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kk7 s PHE 145 N -2.34 3.87 -0.29 1.61 5.36 -1.06 -4.99 117.98 120.15 3kk7 s PHE 145 Ca 0.00 1.82 -0.29 0.00 -0.96 0.00 0.00 56.93 57.50 3kk7 s PHE 145 Cb 0.00 -3.01 0.01 0.00 -0.34 0.00 0.00 43.02 39.67 3kk7 s PHE 145 CO 0.00 0.30 1.19 -1.12 -1.46 0.00 0.00 175.22 174.13 3kk7 s SER 146 N -0.42 6.84 -0.16 6.13 0.01 -1.26 -4.97 113.70 119.87 3kk7 s SER 146 Ca 0.44 1.22 -0.04 0.00 1.31 0.00 0.00 55.95 58.88 3kk7 s SER 146 Cb -0.24 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.42 3kk7 s SER 146 CO 0.30 -0.93 -0.02 -0.22 0.41 0.00 0.00 173.24 172.78 3kk7 s LEU 147 N 3.89 3.33 -0.24 2.44 2.96 -1.26 -5.06 118.68 124.74 3kk7 s LEU 147 Ca 0.51 -0.10 -0.17 0.00 -0.22 0.00 0.00 54.13 54.14 3kk7 s LEU 147 Cb -0.15 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 3kk7 s LEU 147 CO 0.18 0.17 0.49 0.21 -1.32 0.00 0.00 176.35 176.07 3kk7 s ASN 148 N 0.37 6.45 0.00 3.68 3.84 -1.26 -4.94 114.94 123.09 3kk7 s ASN 148 Ca -0.03 0.54 0.28 0.00 0.21 0.00 0.00 52.86 53.86 3kk7 s ASN 148 Cb -0.14 -2.27 1.11 0.00 -0.55 0.00 0.00 41.25 39.40 3kk7 s ASN 148 CO 0.03 -0.22 1.80 0.18 -2.79 0.00 0.00 177.10 176.09 3kk7 n LEU 149 N 5.20 0.48 0.07 3.21 4.77 -1.26 -4.31 117.00 125.17 3kk7 n LEU 149 Ca -0.05 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 3kk7 n LEU 149 Cb 0.50 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 3kk7 n LEU 149 CO 0.40 0.09 0.63 1.23 -1.33 0.00 0.00 177.39 178.41 3kk7 h GLY 150 N 4.97 -0.63 0.15 -0.72 0.00 -1.96 -2.29 103.07 102.59 3kk7 h GLY 150 Ca 0.00 0.43 0.10 0.00 0.00 0.00 0.00 47.33 47.86 3kk7 h GLY 150 CO 0.00 -0.24 0.02 -2.55 0.00 0.00 0.00 176.54 173.76 3kk7 h PRO 151 N -0.52 0.13 -0.40 4.80 0.11 -1.97 0.07 132.00 134.22 3kk7 h PRO 151 Ca 0.05 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.08 3kk7 h PRO 151 Cb 0.60 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 3kk7 h PRO 151 CO -0.27 0.09 -0.06 0.35 -0.21 0.00 0.00 178.00 177.90 3kk7 h PHE 152 N 0.13 0.82 -0.11 0.65 3.57 -1.79 -1.55 116.94 118.66 3kk7 h PHE 152 Ca 0.27 -0.16 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3kk7 h PHE 152 Cb 0.40 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 3kk7 h PHE 152 CO -0.31 0.85 -0.13 0.87 -2.23 0.00 0.00 178.31 177.36 3kk7 h LYS 153 N 0.55 0.28 -0.53 1.11 1.57 -1.09 -2.41 116.57 116.06 3kk7 h LYS 153 Ca 0.11 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3kk7 h LYS 153 Cb 0.56 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 3kk7 h LYS 153 CO 0.03 0.70 0.27 0.74 -0.57 0.00 0.00 179.45 180.62 3kk7 h PHE 154 N -0.12 0.72 -0.34 -1.35 0.04 -1.04 -1.56 116.94 113.29 3kk7 h PHE 154 Ca 0.02 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 3kk7 h PHE 154 Cb 0.66 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 3kk7 h PHE 154 CO 0.09 0.52 0.09 0.78 -0.60 0.00 0.00 178.31 179.19 3kk7 h GLY 155 N 0.83 0.57 0.97 -1.45 0.00 -1.09 -0.78 103.07 102.13 3kk7 h GLY 155 Ca 0.19 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.09 3kk7 h GLY 155 CO -0.03 0.33 -0.03 -0.09 0.00 0.00 0.00 176.54 176.72 3kk7 h ARG 156 N 0.39 0.76 -0.79 4.80 9.65 -1.28 -1.14 114.38 126.77 3kk7 h ARG 156 Ca 0.11 -0.26 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 3kk7 h ARG 156 Cb 0.29 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.77 3kk7 h ARG 156 CO 0.00 0.86 0.49 0.37 2.80 0.00 0.00 179.97 184.49 3kk7 h GLN 157 N 0.59 1.05 -0.54 0.20 4.15 -1.14 -0.03 115.11 119.39 3kk7 h GLN 157 Ca 0.11 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 3kk7 h GLN 157 Cb 0.53 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 3kk7 h GLN 157 CO 0.03 0.72 0.18 -0.22 -1.93 0.00 0.00 178.83 177.62 3kk7 h LYS 158 N 1.07 0.83 -0.23 1.69 3.64 -0.91 -1.94 116.57 120.72 3kk7 h LYS 158 Ca 0.28 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3kk7 h LYS 158 Cb -0.07 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 3kk7 h LYS 158 CO -0.06 0.75 0.10 1.15 -2.27 0.00 0.00 179.45 179.12 3kk7 h THR 159 N 0.74 0.97 -0.76 1.00 2.02 -0.64 -1.43 112.91 114.82 3kk7 h THR 159 Ca 0.18 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 3kk7 h THR 159 Cb 0.25 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3kk7 h THR 159 CO -0.01 0.04 0.32 0.40 0.37 0.00 0.00 175.52 176.64 3kk7 h ILE 160 N 0.22 1.25 0.08 3.11 1.08 -0.80 0.28 117.51 122.73 3kk7 h ILE 160 Ca 0.10 -0.77 -0.00 0.00 -0.39 0.00 0.00 64.86 63.80 3kk7 h ILE 160 Cb 0.04 0.35 -0.00 0.00 -3.07 0.00 0.00 36.82 34.14 3kk7 h ILE 160 CO -0.08 0.31 -0.05 0.50 -0.69 0.00 0.00 178.15 178.14 3kk7 h LYS 161 N 1.08 -0.12 0.00 2.37 3.64 -1.23 -1.75 116.57 120.56 3kk7 h LYS 161 Ca 0.25 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 3kk7 h LYS 161 Cb 0.19 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3kk7 h LYS 161 CO -0.02 -0.08 -0.18 0.93 -2.27 0.00 0.00 179.45 177.83 3kk7 h GLU 162 N -0.13 0.00 0.00 1.90 5.08 -0.75 -3.28 114.58 117.40 3kk7 h GLU 162 Ca -0.01 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 3kk7 h GLU 162 Cb 0.11 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 3kk7 h GLU 162 CO 0.01 0.18 -1.41 1.15 -1.00 0.00 0.00 179.01 177.94 3kk7 h THR 163 N 0.00 0.75 -3.69 1.13 2.02 -0.12 -3.47 112.91 109.53 3kk7 h THR 163 Ca -0.00 -2.38 -0.64 0.00 0.77 0.00 0.00 66.41 64.16 3kk7 h THR 163 Cb 0.57 2.27 -0.32 0.00 -1.74 0.00 0.00 68.15 68.92 3kk7 h THR 163 CO 0.02 0.43 -0.87 -0.36 0.37 0.00 0.00 175.52 175.11 3kk7 s PHE 164 N -2.79 2.21 -0.12 3.16 0.08 -0.69 -4.22 117.98 115.61 3kk7 s PHE 164 Ca -0.03 -0.76 -0.39 0.00 0.12 0.00 0.00 56.93 55.86 3kk7 s PHE 164 Cb 0.08 -1.48 -0.19 0.00 -0.57 0.00 0.00 43.02 40.86 3kk7 s PHE 164 CO 0.81 -0.28 1.14 1.55 -0.10 0.00 0.00 175.22 178.33 3kk7 n VAL 165 N 3.28 0.00 -1.38 -0.44 3.14 -1.26 -4.75 118.33 116.92 3kk7 n VAL 165 Ca -0.19 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.77 3kk7 n VAL 165 Cb 0.52 -0.12 -0.00 0.00 -1.06 0.00 0.00 33.84 33.18 3kk7 n VAL 165 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 3kk7 n HIS 166 N 2.01 -1.16 -3.69 1.45 -0.00 -1.26 -4.99 115.22 107.59 3kk7 n HIS 166 Ca 0.21 0.65 -0.14 0.00 0.46 0.00 0.00 57.72 58.90 3kk7 n HIS 166 Cb 0.04 -1.90 -0.08 0.00 -0.12 0.00 0.00 29.99 27.93 3kk7 n HIS 166 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3kk7 s ASN 167 N -0.97 -0.42 0.06 0.26 6.03 -1.26 -4.99 114.94 113.65 3kk7 s ASN 167 Ca 0.62 0.57 0.22 0.00 -1.03 0.00 0.00 52.86 53.24 3kk7 s ASN 167 Cb -0.65 0.63 0.91 0.00 -3.03 0.00 0.00 41.25 39.11 3kk7 s ASN 167 CO 0.60 -0.37 1.70 1.07 -2.03 0.00 0.00 177.10 178.07 3kk7 n THR 168 N 1.80 0.57 -0.44 0.54 5.66 -1.26 -4.99 114.28 116.16 3kk7 n THR 168 Ca -0.18 0.09 -0.17 0.00 -3.05 0.00 0.00 64.05 60.74 3kk7 n THR 168 Cb 0.56 -0.79 -0.02 0.00 -1.55 0.00 0.00 70.33 68.53 3kk7 n THR 168 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3kk7 n ASP 169 N -1.70 -0.08 -4.62 1.09 9.92 -1.26 -4.86 116.55 115.04 3kk7 n ASP 169 Ca 0.05 0.35 -0.43 0.00 -0.53 0.00 0.00 54.79 54.23 3kk7 n ASP 169 Cb 0.27 -0.28 -0.02 0.00 -0.64 0.00 0.00 41.12 40.45 3kk7 n ASP 169 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3kk7 s ASP 170 N -0.06 6.31 0.60 -2.24 -1.08 -1.26 -4.88 116.67 114.06 3kk7 s ASP 170 Ca 0.26 1.46 0.30 0.00 -0.52 0.00 0.00 52.55 54.05 3kk7 s ASP 170 Cb -0.36 -2.53 1.84 0.00 -1.46 0.00 0.00 42.92 40.41 3kk7 s ASP 170 CO 0.17 -1.34 2.25 0.28 0.52 0.00 0.00 175.17 177.05 3kk7 h SER 171 N 11.00 0.00 -0.66 -0.34 0.02 -1.95 -2.26 113.55 119.36 3kk7 h SER 171 Ca -0.33 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3kk7 h SER 171 Cb 1.15 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 3kk7 h SER 171 CO 1.02 0.00 0.41 -0.33 -1.14 0.00 0.00 176.83 176.79 3kk7 h GLU 172 N 0.00 0.89 0.00 3.45 4.39 -1.93 -2.51 114.58 118.87 3kk7 h GLU 172 Ca 0.01 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3kk7 h GLU 172 Cb 0.05 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 3kk7 h GLU 172 CO -0.00 0.61 -0.64 0.87 -1.16 0.00 0.00 179.01 178.69 3kk7 h LYS 173 N 0.91 0.00 -6.76 2.33 1.57 -1.68 -3.40 116.57 109.54 3kk7 h LYS 173 Ca 0.24 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.52 3kk7 h LYS 173 Cb -0.06 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.26 3kk7 h LYS 173 CO -0.05 0.00 0.47 0.08 -0.57 0.00 0.00 179.45 179.38 3kk7 s VAL 174 N -3.25 3.62 -0.03 0.50 1.01 -0.95 -0.98 120.40 120.33 3kk7 s VAL 174 Ca 0.04 1.56 -0.04 0.00 0.00 0.00 0.00 61.98 63.55 3kk7 s VAL 174 Cb 0.10 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.49 3kk7 s VAL 174 CO 0.73 0.34 0.09 0.54 0.00 0.00 0.00 175.10 176.81 3kk7 s VAL 175 N -0.90 0.02 0.22 2.92 0.11 -0.02 -4.82 120.40 117.93 3kk7 s VAL 175 Ca 0.46 -0.19 0.07 0.00 -2.93 0.00 0.00 61.98 59.39 3kk7 s VAL 175 Cb -0.31 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 3kk7 s VAL 175 CO 0.39 -0.10 0.11 -1.00 -3.33 0.00 0.00 175.10 171.17 3kk7 s HIS 176 N -0.30 3.01 0.03 1.54 3.76 -0.11 -0.66 115.29 122.56 3kk7 s HIS 176 Ca -0.04 -0.11 -0.07 0.00 -0.15 0.00 0.00 55.06 54.69 3kk7 s HIS 176 Cb -0.03 -1.39 -0.00 0.00 1.11 0.00 0.00 32.58 32.27 3kk7 s HIS 176 CO 0.00 0.54 0.14 0.20 -0.85 0.00 0.00 174.74 174.77 3kk7 s GLY 177 N -3.45 0.10 -0.07 -2.22 0.00 -0.50 -0.37 107.32 100.81 3kk7 s GLY 177 Ca 0.31 -0.40 -0.08 0.00 0.00 0.00 0.00 44.72 44.55 3kk7 s GLY 177 CO 0.23 -0.55 0.23 1.85 0.00 0.00 0.00 173.10 174.85 3kk7 s GLU 178 N -2.45 0.31 -0.02 2.90 2.12 0.11 -0.59 118.70 121.08 3kk7 s GLU 178 Ca -0.06 0.22 0.05 0.00 0.36 0.00 0.00 54.97 55.53 3kk7 s GLU 178 Cb -0.02 0.15 -0.01 0.00 0.26 0.00 0.00 34.13 34.51 3kk7 s GLU 178 CO -0.04 -0.05 -0.17 -1.17 -0.54 0.00 0.00 175.26 173.30 3kk7 s LEU 179 N -0.12 1.99 -0.10 2.70 2.96 -0.23 -0.01 118.68 125.89 3kk7 s LEU 179 Ca -0.02 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 3kk7 s LEU 179 Cb -0.02 -0.89 0.02 0.00 0.50 0.00 0.00 46.19 45.79 3kk7 s LEU 179 CO 0.01 0.19 -0.14 -0.55 -1.32 0.00 0.00 176.35 174.54 3kk7 s SER 180 N -0.27 2.25 -0.22 3.68 0.15 0.11 -2.12 113.70 117.28 3kk7 s SER 180 Ca 0.04 -0.38 0.01 0.00 0.70 0.00 0.00 55.95 56.31 3kk7 s SER 180 Cb -0.08 -1.00 0.03 0.00 -1.71 0.00 0.00 66.02 63.27 3kk7 s SER 180 CO 0.00 0.01 -0.14 -0.63 1.20 0.00 0.00 173.24 173.68 3kk7 s ILE 181 N 0.98 2.31 -0.09 6.45 1.01 -0.34 -1.18 121.20 130.33 3kk7 s ILE 181 Ca -0.08 -1.14 0.02 0.00 0.00 0.00 0.00 60.65 59.45 3kk7 s ILE 181 Cb -0.15 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.21 3kk7 s ILE 181 CO -0.01 0.30 -0.14 -1.61 0.00 0.00 0.00 174.94 173.49 3kk7 s GLU 182 N 1.25 2.00 -0.49 2.79 2.02 0.01 -0.69 118.70 125.58 3kk7 s GLU 182 Ca 0.00 -0.50 -0.17 0.00 0.02 0.00 0.00 54.97 54.32 3kk7 s GLU 182 Cb -0.16 -1.69 0.07 0.00 0.10 0.00 0.00 34.13 32.45 3kk7 s GLU 182 CO -0.09 -0.02 0.51 0.08 0.02 0.00 0.00 175.26 175.76 3kk7 s VAL 183 N 0.86 5.06 -0.29 2.63 1.01 -0.36 -1.40 120.40 127.90 3kk7 s VAL 183 Ca -0.10 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 3kk7 s VAL 183 Cb -0.15 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 3kk7 s VAL 183 CO 0.01 -0.71 0.33 -0.69 0.00 0.00 0.00 175.10 174.05 3kk7 s VAL 184 N 2.11 5.20 -0.02 2.92 1.01 0.12 -1.61 120.40 130.13 3kk7 s VAL 184 Ca 0.09 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.44 3kk7 s VAL 184 Cb -0.22 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 3kk7 s VAL 184 CO 0.09 0.10 0.06 -3.20 0.00 0.00 0.00 175.10 172.14 3kk7 n ASN 185 N 5.30 3.99 0.00 3.32 5.15 0.10 -0.42 115.26 132.70 3kk7 n ASN 185 Ca -0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 3kk7 n ASN 185 Cb 0.51 0.93 0.00 0.00 -0.53 0.00 0.00 39.78 40.68 3kk7 n ASN 185 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kk7 n GLY 186 N 2.48 4.78 0.00 8.20 0.00 -0.75 -1.40 105.19 118.49 3kk7 n GLY 186 Ca -0.04 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3kk7 n GLY 186 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3kk7 n LEU 188 N 0.00 0.00 -3.91 0.99 7.94 0.24 -0.86 117.00 121.40 3kk7 n LEU 188 Ca 0.00 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.75 3kk7 n LEU 188 Cb 0.00 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 43.80 3kk7 n LEU 188 CO 0.00 0.00 -0.38 0.20 -1.11 0.00 0.00 177.39 176.10 3kk7 s ASN 189 N 0.00 0.37 0.12 1.96 -0.87 -0.90 -1.14 114.94 114.47 3kk7 s ASN 189 Ca 0.00 -0.05 -0.15 0.00 -1.57 0.00 0.00 52.86 51.09 3kk7 s ASN 189 Cb 0.00 -0.07 -0.07 0.00 -0.02 0.00 0.00 41.25 41.09 3kk7 s ASN 189 CO 0.00 0.02 0.54 -0.22 -2.57 0.00 0.00 177.10 174.87 3kk7 s LEU 190 N 0.09 4.39 0.00 0.60 2.96 0.68 -1.04 118.68 126.36 3kk7 s LEU 190 Ca -0.01 1.11 -0.30 0.00 -0.22 0.00 0.00 54.13 54.71 3kk7 s LEU 190 Cb -0.03 -3.14 -0.07 0.00 0.50 0.00 0.00 46.19 43.45 3kk7 s LEU 190 CO -0.00 0.15 1.68 -1.58 -1.32 0.00 0.00 176.35 175.28 3kk7 s GLN 191 N -1.72 4.19 -0.03 1.98 2.00 0.21 -4.89 119.66 121.40 3kk7 s GLN 191 Ca 0.35 2.28 0.07 0.00 -2.00 0.00 0.00 55.36 56.05 3kk7 s GLN 191 Cb -0.16 -3.85 0.17 0.00 0.80 0.00 0.00 33.01 29.97 3kk7 s GLN 191 CO 0.19 -0.80 1.13 0.25 -0.50 0.00 0.00 175.29 175.55 3kk7 n THR 192 N 5.18 1.18 -1.67 -0.34 -2.24 -1.26 -4.67 114.28 110.47 3kk7 n THR 192 Ca 0.17 -1.19 -0.44 0.00 -2.27 0.00 0.00 64.05 60.32 3kk7 n THR 192 Cb 0.42 0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.00 3kk7 n THR 192 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kk7 n ALA 193 N -0.26 0.91 -0.32 6.98 0.00 -1.26 -4.67 120.51 121.89 3kk7 n ALA 193 Ca 0.07 0.39 0.17 0.00 0.00 0.00 0.00 53.44 54.08 3kk7 n ALA 193 Cb 0.39 -2.22 0.35 0.00 0.00 0.00 0.00 19.45 17.97 3kk7 n ALA 193 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kk7 h PRO 194 N 3.27 0.10 0.00 0.00 0.11 -1.99 0.44 132.00 133.93 3kk7 h PRO 194 Ca -0.45 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 3kk7 h PRO 194 Cb 1.29 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3kk7 h PRO 194 CO 0.69 0.06 -0.35 0.66 -0.21 0.00 0.00 178.00 178.85 3kk7 h SER 195 N 0.10 0.00 -0.34 -2.05 4.64 -1.99 -1.51 113.55 112.40 3kk7 h SER 195 Ca 0.63 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.88 3kk7 h SER 195 Cb 1.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.46 3kk7 h SER 195 CO -0.77 0.35 -0.08 0.00 -0.87 0.00 0.00 176.83 175.46 3kk7 h ALA 196 N 1.65 0.46 -0.88 5.18 0.00 -1.33 -2.17 119.26 122.18 3kk7 h ALA 196 Ca -0.00 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.63 3kk7 h ALA 196 Cb 1.14 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 3kk7 h ALA 196 CO 0.05 0.30 0.58 -0.07 0.00 0.00 0.00 179.25 180.10 3kk7 h LEU 197 N 0.43 0.98 -0.36 0.00 3.38 -0.80 0.12 115.31 119.06 3kk7 h LEU 197 Ca 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3kk7 h LEU 197 Cb 0.57 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3kk7 h LEU 197 CO 0.03 0.70 0.18 0.03 0.09 0.00 0.00 178.44 179.47 3kk7 h ARG 198 N 1.16 0.52 -0.77 1.13 3.08 -1.24 0.53 114.38 118.79 3kk7 h ARG 198 Ca 0.34 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 3kk7 h ARG 198 Cb -0.07 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 3kk7 h ARG 198 CO -0.09 0.45 0.45 0.87 -1.07 0.00 0.00 179.97 180.58 3kk7 h LYS 199 N 0.45 1.05 0.13 0.04 1.57 -0.81 -0.69 116.57 118.32 3kk7 h LYS 199 Ca 0.13 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3kk7 h LYS 199 Cb 0.10 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3kk7 h LYS 199 CO -0.02 0.75 -0.06 0.82 -0.57 0.00 0.00 179.45 180.37 3kk7 h ILE 200 N 1.05 0.96 -0.90 1.86 2.04 -0.52 -2.88 117.51 119.11 3kk7 h ILE 200 Ca 0.27 -0.32 0.18 0.00 1.00 0.00 0.00 64.86 66.00 3kk7 h ILE 200 Cb -0.02 1.16 -0.11 0.00 -0.74 0.00 0.00 36.82 37.11 3kk7 h ILE 200 CO -0.05 0.08 0.46 0.00 0.00 0.00 0.00 178.15 178.64 3kk7 h ALA 201 N 0.54 1.43 -0.10 1.87 0.00 -0.60 -1.39 119.26 121.00 3kk7 h ALA 201 Ca -0.02 0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 3kk7 h ALA 201 Cb 0.26 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kk7 h ALA 201 CO 0.03 -0.18 -0.69 0.00 0.00 0.00 0.00 179.25 178.41 3kk7 h ALA 202 N 1.63 0.63 0.00 0.00 0.00 -0.96 -3.42 119.26 117.14 3kk7 h ALA 202 Ca 0.53 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kk7 h ALA 202 Cb 0.86 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3kk7 h ALA 202 CO -0.43 0.75 0.00 -0.25 0.00 0.00 0.00 179.25 179.32 3kk7 n ASP 203 N -3.86 0.00 -0.16 0.00 8.00 -1.08 -4.89 116.55 114.56 3kk7 n ASP 203 Ca -0.04 -0.10 0.06 0.00 0.71 0.00 0.00 54.79 55.42 3kk7 n ASP 203 Cb 0.68 0.14 0.09 0.00 -0.02 0.00 0.00 41.12 42.01 3kk7 n ASP 203 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3kk7 n TYR 204 N -0.14 0.00 -2.74 1.24 4.01 -0.55 -4.80 117.16 114.18 3kk7 n TYR 204 Ca 0.00 -0.69 -0.38 0.00 -0.16 0.00 0.00 57.90 56.67 3kk7 n TYR 204 Cb 0.01 -0.11 -0.06 0.00 -0.31 0.00 0.00 39.34 38.86 3kk7 n TYR 204 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kk7 s LEU 205 N -1.95 4.45 0.29 7.72 1.43 -1.24 0.36 118.68 129.74 3kk7 s LEU 205 Ca 0.21 1.91 -0.30 0.00 -1.03 0.00 0.00 54.13 54.92 3kk7 s LEU 205 Cb 0.18 -3.86 -0.12 0.00 0.03 0.00 0.00 46.19 42.42 3kk7 s LEU 205 CO 0.02 -0.01 1.43 -0.67 0.23 0.00 0.00 176.35 177.35 3kk7 n ASP 206 N 0.89 3.11 -0.27 2.29 2.03 0.33 -4.61 116.55 120.33 3kk7 n ASP 206 Ca 0.01 1.17 0.07 0.00 0.52 0.00 0.00 54.79 56.55 3kk7 n ASP 206 Cb 0.49 -1.50 0.21 0.00 -0.72 0.00 0.00 41.12 39.60 3kk7 n ASP 206 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3kk7 h GLU 207 N 3.84 0.40 0.00 -0.67 4.81 -1.93 -1.81 114.58 119.22 3kk7 h GLU 207 Ca -0.46 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.64 3kk7 h GLU 207 Cb 1.26 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3kk7 h GLU 207 CO 0.72 0.26 -0.48 -0.07 -0.73 0.00 0.00 179.01 178.72 3kk7 h LEU 208 N 0.41 0.00 -0.31 1.64 3.38 -1.91 -1.94 115.31 116.57 3kk7 h LEU 208 Ca 0.45 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.37 3kk7 h LEU 208 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3kk7 h LEU 208 CO -0.45 0.48 0.02 0.15 0.09 0.00 0.00 178.44 178.72 3kk7 h PHE 209 N 0.00 0.59 -0.16 1.13 3.57 -1.62 -1.05 116.94 119.39 3kk7 h PHE 209 Ca -0.00 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3kk7 h PHE 209 Cb 1.28 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 3kk7 h PHE 209 CO 0.00 0.66 0.10 0.28 -2.23 0.00 0.00 178.31 177.11 3kk7 h VAL 210 N 0.35 1.03 -0.43 1.41 2.07 -1.14 0.89 116.25 120.42 3kk7 h VAL 210 Ca 0.09 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.63 3kk7 h VAL 210 Cb 0.41 0.81 -0.09 0.00 -1.52 0.00 0.00 31.29 30.89 3kk7 h VAL 210 CO 0.01 0.04 -0.21 -0.78 0.02 0.00 0.00 177.57 176.65 3kk7 h ASP 211 N 0.20 -0.71 -0.86 0.57 3.58 -1.39 -0.10 116.42 117.72 3kk7 h ASP 211 Ca 0.06 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.67 3kk7 h ASP 211 Cb -0.01 0.38 -0.04 0.00 1.72 0.00 0.00 39.33 41.38 3kk7 h ASP 211 CO -0.02 -0.24 0.54 0.00 -2.88 0.00 0.00 179.24 176.64 3kk7 h ALA 212 N 1.17 1.33 -0.58 -0.78 0.00 -0.47 0.27 119.26 120.19 3kk7 h ALA 212 Ca 0.21 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3kk7 h ALA 212 Cb 0.44 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3kk7 h ALA 212 CO -0.51 0.60 0.13 1.25 0.00 0.00 0.00 179.25 180.72 3kk7 h LEU 213 N 1.18 0.85 0.00 0.00 5.85 0.40 -2.64 115.31 120.96 3kk7 h LEU 213 Ca 0.31 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3kk7 h LEU 213 Cb -0.08 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.72 3kk7 h LEU 213 CO -0.06 0.84 -0.89 -1.22 -0.34 0.00 0.00 178.44 176.76 3kk7 n TYR 214 N -4.26 0.00 0.02 1.25 4.01 -0.17 -4.56 117.16 113.46 3kk7 n TYR 214 Ca 0.04 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.79 3kk7 n TYR 214 Cb 0.24 -0.03 0.02 0.00 -0.31 0.00 0.00 39.34 39.26 3kk7 n TYR 214 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3kk7 n ASN 215 N -1.46 1.73 -3.74 7.72 3.02 0.91 -4.94 115.26 118.51 3kk7 n ASN 215 Ca 0.03 -1.59 -0.14 0.00 -0.03 0.00 0.00 54.58 52.84 3kk7 n ASN 215 Cb 0.29 -0.03 -0.08 0.00 -0.61 0.00 0.00 39.78 39.35 3kk7 n ASN 215 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kk7 s SER 216 N -0.63 0.71 0.00 6.41 1.04 -1.00 -3.53 113.70 116.70 3kk7 s SER 216 Ca 0.04 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 55.01 3kk7 s SER 216 Cb 0.02 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.65 3kk7 s SER 216 CO 0.03 -1.03 0.00 -1.54 0.98 0.00 0.00 173.24 171.68 3kk7 n SER 217 N -0.88 0.00 0.00 7.02 3.41 -1.26 -4.77 113.62 117.14 3kk7 n SER 217 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3kk7 n SER 217 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 3kk7 n SER 217 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3kk7 n VAL 219 N 0.00 0.00 -0.13 -3.33 0.31 -1.26 -0.56 118.33 113.36 3kk7 n VAL 219 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 3kk7 n VAL 219 Cb 0.00 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 32.96 3kk7 n VAL 219 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3kk7 h GLU 220 N 0.00 0.33 0.00 5.55 5.08 -1.86 -0.80 114.58 122.87 3kk7 h GLU 220 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kk7 h GLU 220 Cb 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3kk7 h GLU 220 CO 0.00 0.22 0.00 -0.11 -1.00 0.00 0.00 179.01 178.12 3kk7 n LEU 221 N -4.98 0.00 0.00 1.33 0.00 0.28 -0.95 117.00 112.67 3kk7 n LEU 221 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.03 3kk7 n LEU 221 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.56 3kk7 n LEU 221 CO 0.27 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.66 3kk7 n GLN 223 N 0.35 0.00 -0.06 1.96 6.02 -0.31 0.34 117.38 125.68 3kk7 n GLN 223 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.81 3kk7 n GLN 223 Cb 0.00 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.13 3kk7 n GLN 223 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3kk7 h SER 224 N 0.00 0.07 0.64 1.08 0.87 -1.30 -3.40 113.55 111.50 3kk7 h SER 224 Ca 0.00 -0.83 -0.20 0.00 -1.23 0.00 0.00 61.79 59.54 3kk7 h SER 224 Cb 0.00 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 3kk7 h SER 224 CO 0.00 1.25 -1.50 -1.22 -0.53 0.00 0.00 176.83 174.83 3kk7 n TYR 225 N -4.45 0.97 -0.43 2.24 4.02 0.15 -4.92 117.16 114.74 3kk7 n TYR 225 Ca -0.19 0.33 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 3kk7 n TYR 225 Cb 0.61 -1.11 0.00 0.00 -0.02 0.00 0.00 39.34 38.82 3kk7 n TYR 225 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kk7 n GLY 226 N 1.44 -1.74 0.02 2.72 0.00 -1.26 -4.03 105.19 102.34 3kk7 n GLY 226 Ca -0.12 -1.99 0.04 0.00 0.00 0.00 0.00 46.02 43.95 3kk7 n GLY 226 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kk7 n GLU 227 N 0.00 0.76 -4.38 1.61 4.71 -0.70 -4.74 120.64 117.90 3kk7 n GLU 227 Ca 0.00 -0.09 -0.19 0.00 -0.01 0.00 0.00 57.16 56.87 3kk7 n GLU 227 Cb 0.00 -1.30 -0.10 0.00 -1.01 0.00 0.00 31.44 29.03 3kk7 n GLU 227 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 3kk7 s PHE 228 N -2.74 1.75 -0.04 -0.32 0.08 -1.17 -4.06 117.98 111.48 3kk7 s PHE 228 Ca -0.05 -1.03 0.05 0.00 0.12 0.00 0.00 56.93 56.01 3kk7 s PHE 228 Cb 0.07 -1.09 -0.02 0.00 -0.57 0.00 0.00 43.02 41.41 3kk7 s PHE 228 CO 0.51 -0.13 -0.17 0.08 -0.10 0.00 0.00 175.22 175.41 3kk7 s VAL 229 N -3.48 2.80 -0.29 -0.44 1.01 0.40 0.27 120.40 120.67 3kk7 s VAL 229 Ca 0.36 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 61.24 3kk7 s VAL 229 Cb 0.08 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.40 3kk7 s VAL 229 CO 0.14 0.59 1.00 -0.76 0.00 0.00 0.00 175.10 176.07 3kk7 s LEU 230 N -0.68 4.01 -0.01 3.92 1.43 0.33 -0.92 118.68 126.76 3kk7 s LEU 230 Ca 0.11 1.09 0.03 0.00 -1.03 0.00 0.00 54.13 54.33 3kk7 s LEU 230 Cb -0.11 -3.45 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 3kk7 s LEU 230 CO 0.00 -0.75 0.07 0.35 0.23 0.00 0.00 176.35 176.25 3kk7 n THR 231 N 5.62 0.01 -3.63 5.49 -2.24 0.13 -1.50 114.28 118.16 3kk7 n THR 231 Ca 0.10 -0.08 -0.14 0.00 -2.27 0.00 0.00 64.05 61.66 3kk7 n THR 231 Cb 0.47 0.36 -0.13 0.00 -2.10 0.00 0.00 70.33 68.93 3kk7 n THR 231 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3kk7 s GLY 232 N -2.44 -0.10 0.25 3.38 0.00 -0.78 -0.23 107.32 107.40 3kk7 s GLY 232 Ca -0.01 0.83 -0.13 0.00 0.00 0.00 0.00 44.72 45.40 3kk7 s GLY 232 CO 0.14 2.01 0.48 -2.52 0.00 0.00 0.00 173.10 173.22 3kk7 s TYR 233 N 2.41 0.35 0.14 1.90 -0.85 -0.29 -1.56 117.35 119.45 3kk7 s TYR 233 Ca 0.03 -0.72 0.07 0.00 -0.52 0.00 0.00 57.07 55.93 3kk7 s TYR 233 Cb -0.13 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.37 3kk7 s TYR 233 CO -0.09 -1.00 -0.07 0.71 -1.52 0.00 0.00 175.55 173.58 3kk7 s TYR 234 N -4.01 2.76 0.09 -3.49 2.02 0.37 -0.59 117.35 114.50 3kk7 s TYR 234 Ca 0.22 -0.16 0.06 0.00 -0.37 0.00 0.00 57.07 56.83 3kk7 s TYR 234 Cb -0.01 -1.39 -0.03 0.00 -0.40 0.00 0.00 41.96 40.13 3kk7 s TYR 234 CO 0.09 0.47 -0.16 0.95 -1.57 0.00 0.00 175.55 175.34 3kk7 s THR 235 N -1.45 1.31 0.00 -0.71 -4.23 -0.04 -1.45 115.64 109.06 3kk7 s THR 235 Ca 0.24 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 3kk7 s THR 235 Cb -0.10 -1.32 0.00 0.00 1.34 0.00 0.00 72.50 72.41 3kk7 s THR 235 CO 0.16 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 3kk7 n GLY 236 N 0.99 -0.26 3.09 3.99 0.00 -0.28 0.01 105.19 112.72 3kk7 n GLY 236 Ca -0.19 -0.57 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 3kk7 n GLY 236 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kk7 s GLY 237 N 0.00 0.61 -0.01 -0.02 0.00 -0.63 -1.69 107.32 105.58 3kk7 s GLY 237 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.03 3kk7 s GLY 237 CO 0.00 -0.69 -0.02 -1.60 0.00 0.00 0.00 173.10 170.79 3kk7 s ARG 238 N -1.08 0.20 -0.20 2.90 3.52 -0.56 -1.23 118.95 122.51 3kk7 s ARG 238 Ca -0.02 -0.06 -0.05 0.00 -0.13 0.00 0.00 55.73 55.47 3kk7 s ARG 238 Cb -0.07 -0.23 -0.03 0.00 -1.56 0.00 0.00 34.95 33.06 3kk7 s ARG 238 CO 0.01 0.03 0.01 0.00 -0.81 0.00 0.00 175.30 174.53 3kk7 s ALA 239 N 0.09 3.08 -0.07 6.12 0.00 0.13 0.69 121.76 131.80 3kk7 s ALA 239 Ca -0.01 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.02 3kk7 s ALA 239 Cb -0.03 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.28 3kk7 s ALA 239 CO -0.00 -0.11 -0.15 0.45 0.00 0.00 0.00 175.76 175.94 3kk7 s SER 240 N 0.93 3.91 -0.03 0.00 0.15 0.83 -1.20 113.70 118.29 3kk7 s SER 240 Ca 0.02 -0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.42 3kk7 s SER 240 Cb -0.14 -1.00 0.01 0.00 -1.71 0.00 0.00 66.02 63.19 3kk7 s SER 240 CO 0.02 0.30 -0.05 0.00 1.20 0.00 0.00 173.24 174.70 3kk7 s ALA 241 N -0.44 0.65 0.02 5.45 0.00 -0.90 -0.59 121.76 125.94 3kk7 s ALA 241 Ca 0.05 -0.11 0.04 0.00 0.00 0.00 0.00 51.96 51.94 3kk7 s ALA 241 Cb -0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 3kk7 s ALA 241 CO 0.02 0.04 -0.09 -0.51 0.00 0.00 0.00 175.76 175.22 3kk7 s LEU 242 N 0.61 3.05 0.04 0.00 1.43 -0.23 -1.06 118.68 122.51 3kk7 s LEU 242 Ca -0.08 -0.21 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 3kk7 s LEU 242 Cb -0.11 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 3kk7 s LEU 242 CO 0.00 0.27 -0.18 -0.36 0.23 0.00 0.00 176.35 176.32 3kk7 s PHE 243 N -0.99 1.54 -0.14 0.29 0.40 0.24 -1.40 117.98 117.91 3kk7 s PHE 243 Ca 0.17 -0.36 -0.02 0.00 -0.60 0.00 0.00 56.93 56.12 3kk7 s PHE 243 Cb -0.11 -0.92 0.04 0.00 0.51 0.00 0.00 43.02 42.54 3kk7 s PHE 243 CO 0.07 0.06 -0.01 -0.47 0.70 0.00 0.00 175.22 175.58 3kk7 s TYR 244 N -0.80 1.13 -0.02 0.36 6.14 0.31 -1.41 117.35 123.07 3kk7 s TYR 244 Ca 0.05 -0.69 0.07 0.00 0.64 0.00 0.00 57.07 57.13 3kk7 s TYR 244 Cb -0.08 -1.05 -0.02 0.00 0.42 0.00 0.00 41.96 41.23 3kk7 s TYR 244 CO 0.01 -0.52 -0.22 0.20 0.64 0.00 0.00 175.55 175.67 3kk7 s GLY 245 N 1.82 1.08 -0.39 8.97 0.00 0.16 -0.82 107.32 118.15 3kk7 s GLY 245 Ca 0.02 -0.95 -0.09 0.00 0.00 0.00 0.00 44.72 43.70 3kk7 s GLY 245 CO -0.07 -0.79 0.20 0.14 0.00 0.00 0.00 173.10 172.58 3kk7 s VAL 246 N -0.52 4.14 -0.00 1.40 1.01 0.77 -0.84 120.40 126.37 3kk7 s VAL 246 Ca 0.08 -1.23 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 3kk7 s VAL 246 Cb -0.08 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 3kk7 s VAL 246 CO -0.01 -0.36 1.11 -0.62 0.00 0.00 0.00 175.10 175.22 3kk7 s ASP 247 N 1.78 7.18 0.04 3.32 -1.08 -0.15 -1.61 116.67 126.14 3kk7 s ASP 247 Ca 0.02 1.81 -0.18 0.00 -0.52 0.00 0.00 52.55 53.67 3kk7 s ASP 247 Cb -0.21 -2.57 -0.18 0.00 -1.46 0.00 0.00 42.92 38.50 3kk7 s ASP 247 CO 0.03 -0.42 1.23 0.74 0.52 0.00 0.00 175.17 177.27 3kk7 h THR 248 N 4.77 1.38 0.00 1.71 2.02 -0.17 -3.41 112.91 119.20 3kk7 h THR 248 Ca -0.39 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.02 3kk7 h THR 248 Cb 1.20 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 3kk7 h THR 248 CO 0.81 0.53 -0.94 0.59 0.37 0.00 0.00 175.52 176.88 3kk7 n ASN 249 N -4.29 2.29 -4.57 4.18 3.02 -1.26 -5.01 115.26 109.62 3kk7 n ASN 249 Ca -0.08 -0.24 -0.31 0.00 -0.03 0.00 0.00 54.58 53.92 3kk7 n ASN 249 Cb 0.57 1.19 -0.10 0.00 -0.61 0.00 0.00 39.78 40.82 3kk7 n ASN 249 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3kk7 s SER 250 N -2.34 4.45 -0.00 6.41 0.01 -1.26 -5.01 113.70 115.95 3kk7 s SER 250 Ca -0.01 -0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.01 3kk7 s SER 250 Cb 0.05 -0.94 -0.02 0.00 0.21 0.00 0.00 66.02 65.31 3kk7 s SER 250 CO 0.28 0.24 0.06 2.30 0.41 0.00 0.00 173.24 176.53 3kk7 n ILE 251 N 1.26 0.00 -2.46 1.44 -5.35 -1.26 -4.68 119.36 108.30 3kk7 n ILE 251 Ca -0.15 -0.34 -0.41 0.00 -0.27 0.00 0.00 62.75 61.58 3kk7 n ILE 251 Cb 0.52 0.85 -0.04 0.00 -1.74 0.00 0.00 39.64 39.23 3kk7 n ILE 251 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 3kk7 s GLN 252 N -1.44 4.54 0.20 6.28 2.00 -1.26 -4.84 119.66 125.15 3kk7 s GLN 252 Ca 0.00 1.77 -0.11 0.00 -2.00 0.00 0.00 55.36 55.02 3kk7 s GLN 252 Cb 0.01 -3.27 0.13 0.00 0.80 0.00 0.00 33.01 30.68 3kk7 s GLN 252 CO 0.07 -0.01 1.85 0.27 -0.50 0.00 0.00 175.29 176.98 3kk7 h PHE 253 N 5.33 0.90 -0.09 1.67 -5.15 -1.96 -1.76 116.94 115.88 3kk7 h PHE 253 Ca -0.44 0.01 0.04 0.00 -0.20 0.00 0.00 57.97 57.38 3kk7 h PHE 253 Cb 1.21 -0.30 -0.06 0.00 0.22 0.00 0.00 35.95 37.02 3kk7 h PHE 253 CO 0.63 0.59 -0.34 0.38 -2.00 0.00 0.00 178.31 177.56 3kk7 h ASP 254 N 0.95 -1.05 -0.46 -0.68 2.03 -1.99 0.68 116.42 115.89 3kk7 h ASP 254 Ca 0.25 0.15 -0.02 0.00 -0.73 0.00 0.00 57.03 56.68 3kk7 h ASP 254 Cb -0.07 0.44 -0.02 0.00 -0.83 0.00 0.00 39.33 38.85 3kk7 h ASP 254 CO -0.05 -0.38 0.22 0.28 -1.03 0.00 0.00 179.24 178.27 3kk7 h SER 255 N -0.44 0.61 -0.88 4.15 0.02 -1.88 -1.14 113.55 113.99 3kk7 h SER 255 Ca 0.08 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3kk7 h SER 255 Cb 0.57 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 3kk7 h SER 255 CO -0.34 0.58 0.46 0.11 -1.14 0.00 0.00 176.83 176.50 3kk7 h LYS 256 N 0.61 1.24 -0.13 3.45 1.57 -1.05 -2.06 116.57 120.19 3kk7 h LYS 256 Ca 0.16 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 3kk7 h LYS 256 Cb 0.13 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3kk7 h LYS 256 CO -0.02 0.92 -0.47 0.93 -0.57 0.00 0.00 179.45 180.24 3kk7 h GLU 257 N 1.24 0.34 -0.79 3.15 5.08 -0.50 -2.51 114.58 120.58 3kk7 h GLU 257 Ca 0.31 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3kk7 h GLU 257 Cb 0.06 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3kk7 h GLU 257 CO -0.05 0.74 0.38 0.87 -1.00 0.00 0.00 179.01 179.95 3kk7 h LYS 258 N 0.27 1.13 -0.77 2.33 1.57 -0.93 0.18 116.57 120.35 3kk7 h LYS 258 Ca 0.02 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3kk7 h LYS 258 Cb 0.93 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3kk7 h LYS 258 CO 0.08 0.87 0.00 -0.25 -0.57 0.00 0.00 179.45 179.58 3kk7 n ASP 259 N -4.31 0.55 0.00 0.86 8.00 -0.80 -1.31 116.55 119.54 3kk7 n ASP 259 Ca 0.08 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.92 3kk7 n ASP 259 Cb 0.14 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 3kk7 n ASP 259 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3kk7 n ASP 261 N 0.50 0.00 -0.24 -2.24 8.00 0.63 -0.98 116.55 122.21 3kk7 n ASP 261 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.51 3kk7 n ASP 261 Cb 0.11 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.35 3kk7 n ASP 261 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3kk7 h VAL 262 N 0.00 0.84 -0.22 2.53 2.07 -1.45 -2.41 116.25 117.62 3kk7 h VAL 262 Ca 0.00 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3kk7 h VAL 262 Cb 0.00 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 3kk7 h VAL 262 CO 0.00 0.11 0.08 0.00 0.02 0.00 0.00 177.57 177.78 3kk7 h ALA 263 N 1.43 0.28 -0.54 1.67 0.00 -1.31 -2.37 119.26 118.42 3kk7 h ALA 263 Ca 0.35 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.20 3kk7 h ALA 263 Cb 0.37 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3kk7 h ALA 263 CO -0.27 -0.11 0.24 0.82 0.00 0.00 0.00 179.25 179.93 3kk7 h ILE 264 N 0.19 0.89 0.00 0.00 2.04 -1.71 -1.04 117.51 117.88 3kk7 h ILE 264 Ca 0.07 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 3kk7 h ILE 264 Cb 0.20 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3kk7 h ILE 264 CO -0.00 0.08 -0.13 0.78 0.00 0.00 0.00 178.15 178.88 3kk7 h ASN 265 N 0.46 0.00 -0.29 1.72 2.35 -1.34 -2.53 115.58 115.95 3kk7 h ASN 265 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3kk7 h ASN 265 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3kk7 h ASN 265 CO -0.21 0.13 0.00 0.00 -1.65 0.00 0.00 177.43 175.70 3kk7 n ALA 266 N -2.19 2.47 -1.25 -0.83 0.00 -0.43 -4.35 120.51 113.93 3kk7 n ALA 266 Ca -0.00 -0.62 0.04 0.00 0.00 0.00 0.00 53.44 52.85 3kk7 n ALA 266 Cb 0.33 -1.02 0.06 0.00 0.00 0.00 0.00 19.45 18.82 3kk7 n ALA 266 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kk7 n SER 267 N 0.53 1.23 -3.76 0.00 7.64 -0.95 -4.35 113.62 113.96 3kk7 n SER 267 Ca 0.15 -2.34 -0.10 0.00 1.01 0.00 0.00 58.87 57.59 3kk7 n SER 267 Cb 0.34 -0.25 -0.07 0.00 -1.01 0.00 0.00 64.21 63.23 3kk7 n SER 267 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3kk7 s TYR 268 N -1.31 -0.04 -0.04 1.43 1.13 -1.25 0.63 117.35 117.89 3kk7 s TYR 268 Ca 0.13 -0.24 -0.00 0.00 -1.41 0.00 0.00 57.07 55.54 3kk7 s TYR 268 Cb 0.12 0.09 0.03 0.00 -1.10 0.00 0.00 41.96 41.09 3kk7 s TYR 268 CO 0.01 -0.57 0.01 -2.00 -2.51 0.00 0.00 175.55 170.50 3kk7 s GLU 269 N -3.34 0.29 -0.46 -3.49 2.12 0.46 -4.99 118.70 109.28 3kk7 s GLU 269 Ca 0.01 0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.52 3kk7 s GLU 269 Cb 0.02 -0.59 0.12 0.00 0.26 0.00 0.00 34.13 33.94 3kk7 s GLU 269 CO -0.08 -0.21 0.20 -0.46 -0.54 0.00 0.00 175.26 174.16 3kk7 s TRP 270 N 1.47 3.23 -0.41 5.30 -0.11 -1.26 -1.93 118.94 125.23 3kk7 s TRP 270 Ca -0.03 -3.05 0.04 0.00 1.22 0.00 0.00 56.10 54.27 3kk7 s TRP 270 Cb -0.13 -2.76 0.06 0.00 -1.50 0.00 0.00 33.47 29.13 3kk7 s TRP 270 CO -0.03 -0.80 0.79 1.63 -4.62 0.00 0.00 176.95 173.92 3kk7 n LYS 271 N 3.47 0.80 -2.77 5.86 4.01 -1.26 -4.94 118.16 123.33 3kk7 n LYS 271 Ca 0.05 -1.08 -0.12 0.00 -0.51 0.00 0.00 58.31 56.65 3kk7 n LYS 271 Cb 0.35 -1.08 -0.01 0.00 -0.51 0.00 0.00 35.03 33.78 3kk7 n LYS 271 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kk7 n GLY 287 N 0.08 3.49 2.94 0.72 0.00 -1.26 -4.90 105.19 106.25 3kk7 n GLY 287 Ca 0.03 -2.25 -0.14 0.00 0.00 0.00 0.00 46.02 43.66 3kk7 n GLY 287 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kk7 s ASN 288 N -2.18 -0.02 -0.02 1.61 3.84 -1.26 -4.90 114.94 111.99 3kk7 s ASN 288 Ca 0.06 0.35 0.00 0.00 0.21 0.00 0.00 52.86 53.48 3kk7 s ASN 288 Cb -0.00 0.25 0.02 0.00 -0.55 0.00 0.00 41.25 40.96 3kk7 s ASN 288 CO 0.03 -0.17 0.00 -0.22 -2.79 0.00 0.00 177.10 173.96 3kk7 s LEU 289 N 1.35 1.29 -0.08 3.21 2.96 -1.26 -4.04 118.68 122.12 3kk7 s LEU 289 Ca -0.08 -0.02 -0.16 0.00 -0.22 0.00 0.00 54.13 53.66 3kk7 s LEU 289 Cb -0.11 -0.17 0.03 0.00 0.50 0.00 0.00 46.19 46.44 3kk7 s LEU 289 CO -0.06 -0.08 0.38 -0.94 -1.32 0.00 0.00 176.35 174.32 3kk7 s SER 290 N 0.85 -0.33 -0.04 3.68 1.04 -0.81 -0.15 113.70 117.93 3kk7 s SER 290 Ca -0.08 0.47 0.03 0.00 0.48 0.00 0.00 55.95 56.85 3kk7 s SER 290 Cb -0.11 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 3kk7 s SER 290 CO -0.02 -0.31 -0.11 -0.63 0.98 0.00 0.00 173.24 173.15 3kk7 s ILE 291 N -0.59 3.36 0.00 -1.02 1.09 -0.61 -0.40 121.20 123.03 3kk7 s ILE 291 Ca -0.07 -0.67 0.00 0.00 -1.10 0.00 0.00 60.65 58.81 3kk7 s ILE 291 Cb -0.04 -2.36 0.00 0.00 -1.06 0.00 0.00 42.46 39.00 3kk7 s ILE 291 CO 0.03 0.55 0.00 0.61 -0.10 0.00 0.00 174.94 176.03 3kk7 n GLY 292 N 2.13 4.40 3.74 6.18 0.00 0.20 -1.02 105.19 120.83 3kk7 n GLY 292 Ca -0.17 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 3kk7 n GLY 292 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kk7 s THR 293 N -1.09 3.66 0.32 2.61 2.01 -0.10 -4.14 115.64 118.91 3kk7 s THR 293 Ca 0.00 1.45 -0.29 0.00 0.31 0.00 0.00 61.69 63.16 3kk7 s THR 293 Cb 0.00 -3.92 -0.10 0.00 0.01 0.00 0.00 72.50 68.49 3kk7 s THR 293 CO 0.00 0.26 1.21 -0.54 -0.69 0.00 0.00 174.62 174.86 3kk7 s LYS 294 N -0.51 4.42 0.54 4.92 1.02 -1.26 -4.79 119.74 124.09 3kk7 s LYS 294 Ca 0.50 2.01 0.37 0.00 0.02 0.00 0.00 55.97 58.87 3kk7 s LYS 294 Cb -0.31 -3.06 1.55 0.00 -0.52 0.00 0.00 37.83 35.49 3kk7 s LYS 294 CO 0.37 -0.05 1.79 0.07 -0.92 0.00 0.00 175.35 176.60 3kk7 h ARG 295 N 3.45 0.01 0.57 1.68 -0.00 -1.95 -2.37 114.38 115.77 3kk7 h ARG 295 Ca -0.48 -0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.47 3kk7 h ARG 295 Cb 1.22 -0.00 0.01 0.00 -0.00 0.00 0.00 29.97 31.19 3kk7 h ARG 295 CO 0.66 0.01 -0.28 0.93 -0.00 0.00 0.00 179.97 181.29 3kk7 h GLU 296 N 0.01 -0.74 0.00 0.08 5.08 -1.99 -3.24 114.58 113.77 3kk7 h GLU 296 Ca 0.59 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 59.00 3kk7 h GLU 296 Cb 2.35 0.17 0.00 0.00 0.50 0.00 0.00 28.75 31.77 3kk7 h GLU 296 CO -0.02 -0.49 0.00 0.09 -1.00 0.00 0.00 179.01 177.59 3kk7 n ASN 297 N -5.02 0.00 0.21 1.42 3.02 -0.93 -4.07 115.26 109.88 3kk7 n ASN 297 Ca -0.10 -0.24 0.11 0.00 -0.03 0.00 0.00 54.58 54.33 3kk7 n ASN 297 Cb 0.30 -0.16 0.67 0.00 -0.61 0.00 0.00 39.78 39.99 3kk7 n ASN 297 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 3kk7 h SER 298 N 0.00 0.00 -0.77 6.41 0.87 -1.48 0.06 113.55 118.64 3kk7 h SER 298 Ca 0.00 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 3kk7 h SER 298 Cb 0.09 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 3kk7 h SER 298 CO 0.00 0.00 0.51 -0.08 -0.53 0.00 0.00 176.83 176.73 3kk7 h GLU 299 N 0.00 0.86 0.00 2.24 4.81 -1.83 -0.37 114.58 120.30 3kk7 h GLU 299 Ca 0.05 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kk7 h GLU 299 Cb 0.21 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3kk7 h GLU 299 CO -0.00 0.57 0.01 1.15 -0.73 0.00 0.00 179.01 180.01 3kk7 h THR 300 N 0.89 0.00 0.00 0.32 2.02 -1.29 -2.68 112.91 112.17 3kk7 h THR 300 Ca 0.32 0.00 -0.43 0.00 0.77 0.00 0.00 66.41 67.07 3kk7 h THR 300 Cb 0.14 0.97 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 3kk7 h THR 300 CO -0.10 0.00 -2.42 -0.38 0.37 0.00 0.00 175.52 172.99 3kk7 n ILE 301 N -3.04 1.40 0.30 3.11 5.41 -0.25 -4.51 119.36 121.79 3kk7 n ILE 301 Ca -0.03 -0.37 0.18 0.00 1.00 0.00 0.00 62.75 63.54 3kk7 n ILE 301 Cb 0.07 -1.82 0.80 0.00 -0.71 0.00 0.00 39.64 37.98 3kk7 n ILE 301 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3kk7 h THR 302 N -0.86 0.00 -0.42 1.39 1.35 -1.31 -0.73 112.91 112.34 3kk7 h THR 302 Ca -0.64 -0.36 -0.03 0.00 -0.55 0.00 0.00 66.41 64.82 3kk7 h THR 302 Cb 1.58 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 69.31 3kk7 h THR 302 CO -0.37 0.00 0.12 0.78 -0.25 0.00 0.00 175.52 175.79 3kk7 h ASN 303 N 0.00 0.56 0.00 5.36 4.21 -1.71 -3.32 115.58 120.68 3kk7 h ASN 303 Ca 0.00 -0.08 -0.27 0.00 1.21 0.00 0.00 56.30 57.17 3kk7 h ASN 303 Cb 0.37 -0.15 -0.05 0.00 -1.12 0.00 0.00 38.32 37.38 3kk7 h ASN 303 CO 0.00 0.55 -2.03 0.29 -1.29 0.00 0.00 177.43 174.95 3kk7 n LYS 304 N -4.33 1.46 -5.26 0.81 4.76 -0.72 -4.89 118.16 109.99 3kk7 n LYS 304 Ca 0.03 -0.01 -0.32 0.00 -2.87 0.00 0.00 58.31 55.14 3kk7 n LYS 304 Cb 0.18 -1.39 -0.17 0.00 -1.84 0.00 0.00 35.03 31.82 3kk7 n LYS 304 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3kk7 s PHE 305 N -2.40 2.46 0.08 2.13 0.08 -0.36 0.59 117.98 120.56 3kk7 s PHE 305 Ca -0.07 -0.77 0.09 0.00 0.12 0.00 0.00 56.93 56.30 3kk7 s PHE 305 Cb 0.05 -1.62 -0.07 0.00 -0.57 0.00 0.00 43.02 40.81 3kk7 s PHE 305 CO 0.63 -0.25 1.36 0.66 -0.10 0.00 0.00 175.22 177.52 3kk7 h SER 306 N 6.16 0.00 -3.79 1.36 4.64 -1.55 -3.39 113.55 116.98 3kk7 h SER 306 Ca -0.30 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.87 3kk7 h SER 306 Cb 1.19 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.02 3kk7 h SER 306 CO 0.47 0.84 -0.35 0.00 -0.87 0.00 0.00 176.83 176.92 3kk7 s ALA 307 N -2.88 -0.79 -0.22 5.18 0.00 -1.22 -5.00 121.76 116.84 3kk7 s ALA 307 Ca 0.01 0.94 -0.04 0.00 0.00 0.00 0.00 51.96 52.87 3kk7 s ALA 307 Cb 0.10 -0.55 0.10 0.00 0.00 0.00 0.00 23.12 22.76 3kk7 s ALA 307 CO 0.79 -0.16 0.21 -1.17 0.00 0.00 0.00 175.76 175.44 3kk7 s LEU 308 N 0.29 -0.05 0.07 0.00 2.96 -1.26 -0.16 118.68 120.53 3kk7 s LEU 308 Ca -0.01 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 3kk7 s LEU 308 Cb -0.03 0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.92 3kk7 s LEU 308 CO -0.01 -0.34 0.02 -0.44 -1.32 0.00 0.00 176.35 174.26 3kk7 s SER 309 N 2.30 5.18 0.06 3.68 0.01 0.00 -1.25 113.70 123.69 3kk7 s SER 309 Ca 0.07 -0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.24 3kk7 s SER 309 Cb -0.16 -1.30 -0.03 0.00 0.21 0.00 0.00 66.02 64.74 3kk7 s SER 309 CO -0.16 0.19 -0.06 -0.72 0.41 0.00 0.00 173.24 172.90 3kk7 s TYR 310 N -1.29 0.70 -0.01 2.43 1.13 -0.31 -0.53 117.35 119.47 3kk7 s TYR 310 Ca 0.26 -0.72 0.00 0.00 -1.41 0.00 0.00 57.07 55.20 3kk7 s TYR 310 Cb -0.12 -0.42 0.01 0.00 -1.10 0.00 0.00 41.96 40.32 3kk7 s TYR 310 CO 0.18 -0.15 -0.00 0.45 -2.51 0.00 0.00 175.55 173.51 3kk7 s SER 311 N -2.26 0.15 0.23 -0.18 0.15 -0.49 -1.09 113.70 110.21 3kk7 s SER 311 Ca -0.01 -0.01 0.11 0.00 0.70 0.00 0.00 55.95 56.74 3kk7 s SER 311 Cb -0.02 -0.04 -0.05 0.00 -1.71 0.00 0.00 66.02 64.20 3kk7 s SER 311 CO -0.03 -0.01 -0.21 0.27 1.20 0.00 0.00 173.24 174.46 3kk7 s ILE 312 N 0.21 2.27 -0.04 6.45 -4.36 -1.26 -1.07 121.20 123.40 3kk7 s ILE 312 Ca -0.02 -2.19 -0.05 0.00 -0.26 0.00 0.00 60.65 58.13 3kk7 s ILE 312 Cb -0.03 -2.15 0.01 0.00 1.25 0.00 0.00 42.46 41.54 3kk7 s ILE 312 CO -0.01 -0.31 0.14 -0.75 0.24 0.00 0.00 174.94 174.25 3kk7 s LYS 313 N -3.14 0.24 0.03 0.37 2.20 0.24 -1.57 119.74 118.11 3kk7 s LYS 313 Ca 0.24 0.04 0.01 0.00 -0.36 0.00 0.00 55.97 55.90 3kk7 s LYS 313 Cb -0.06 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.33 3kk7 s LYS 313 CO 0.11 -0.04 0.07 0.95 -0.36 0.00 0.00 175.35 176.08 3kk7 s THR 314 N -0.30 4.56 -0.19 3.43 -4.23 0.12 -0.12 115.64 118.92 3kk7 s THR 314 Ca -0.04 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 3kk7 s THR 314 Cb -0.03 -3.12 0.01 0.00 1.34 0.00 0.00 72.50 70.71 3kk7 s THR 314 CO 0.00 0.27 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.43 3kk7 s LEU 315 N -1.95 2.29 0.05 4.79 1.43 0.22 -4.32 118.68 121.20 3kk7 s LEU 315 Ca 0.25 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3kk7 s LEU 315 Cb -0.12 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.57 3kk7 s LEU 315 CO 0.16 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.35 3kk7 n GLY 316 N 4.66 -1.42 7.00 -3.19 0.00 -1.26 -1.49 105.19 109.48 3kk7 n GLY 316 Ca -0.20 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3kk7 n GLY 316 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kk7 n GLY 317 N -1.62 -0.05 3.52 -0.02 0.00 -0.79 -4.86 105.19 101.38 3kk7 n GLY 317 Ca 0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 3kk7 n GLY 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kk7 s ALA 318 N -1.39 0.66 -2.08 4.61 0.00 -1.26 -4.93 121.76 117.38 3kk7 s ALA 318 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.49 3kk7 s ALA 318 Cb 0.00 1.11 0.00 0.00 0.00 0.00 0.00 23.12 24.23 3kk7 s ALA 318 CO 0.00 -0.81 0.00 0.66 0.00 0.00 0.00 175.76 175.61 3kk7 n TYR 319 N -0.58 -0.23 0.00 0.00 4.01 -1.26 -4.01 117.16 115.09 3kk7 n TYR 319 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3kk7 n TYR 319 Cb 0.61 -3.52 0.00 0.00 -0.31 0.00 0.00 39.34 36.12 3kk7 n TYR 319 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kk7 n GLY 320 N -0.50 2.47 2.46 2.72 0.00 -1.26 -4.19 105.19 106.89 3kk7 n GLY 320 Ca -0.21 -1.20 -0.20 0.00 0.00 0.00 0.00 46.02 44.41 3kk7 n GLY 320 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kk7 n TYR 321 N 0.00 -1.65 1.15 1.61 4.01 -1.26 -5.00 117.16 116.03 3kk7 n TYR 321 Ca 0.00 -2.82 0.14 0.00 -0.16 0.00 0.00 57.90 55.07 3kk7 n TYR 321 Cb 0.00 0.52 0.67 0.00 -0.31 0.00 0.00 39.34 40.22 3kk7 n TYR 321 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3kk7 n SER 322 N 2.53 0.00 -4.48 7.72 3.41 -1.26 -0.70 113.62 120.84 3kk7 n SER 322 Ca 0.24 0.26 -0.33 0.00 -0.26 0.00 0.00 58.87 58.78 3kk7 n SER 322 Cb 0.52 -0.42 -0.13 0.00 -0.26 0.00 0.00 64.21 63.92 3kk7 n SER 322 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3kk7 s ILE 323 N -2.84 3.47 0.14 -1.33 1.01 -1.26 -4.83 121.20 115.56 3kk7 s ILE 323 Ca 0.19 -0.53 -0.34 0.00 0.00 0.00 0.00 60.65 59.97 3kk7 s ILE 323 Cb 0.19 -2.45 -0.16 0.00 0.01 0.00 0.00 42.46 40.05 3kk7 s ILE 323 CO 0.50 0.55 1.18 -1.20 0.00 0.00 0.00 174.94 175.97 3kk7 n SER 324 N 2.99 1.25 -4.80 3.58 7.64 -1.26 -4.82 113.62 118.20 3kk7 n SER 324 Ca -0.18 1.14 -0.30 0.00 1.01 0.00 0.00 58.87 60.54 3kk7 n SER 324 Cb 0.53 -1.18 0.09 0.00 -1.01 0.00 0.00 64.21 62.63 3kk7 n SER 324 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3kk7 s THR 325 N -0.03 3.18 0.91 0.44 -4.23 -0.61 -5.00 115.64 110.31 3kk7 s THR 325 Ca 0.77 0.38 -0.11 0.00 -1.18 0.00 0.00 61.69 61.55 3kk7 s THR 325 Cb -0.91 -3.11 0.14 0.00 1.34 0.00 0.00 72.50 69.97 3kk7 s THR 325 CO 0.51 -0.50 1.10 -2.84 -0.54 0.00 0.00 174.62 172.35 3kk7 s PRO 326 N -5.12 1.08 0.13 3.99 0.02 -1.26 -4.68 135.00 129.16 3kk7 s PRO 326 Ca 0.61 1.17 -0.30 0.00 0.02 0.00 0.00 61.00 62.49 3kk7 s PRO 326 Cb -0.15 -1.76 -0.07 0.00 0.02 0.00 0.00 34.50 32.54 3kk7 s PRO 326 CO 0.55 -2.46 1.21 -1.25 -0.33 0.00 0.00 177.00 174.72 3kk7 s PRO 327 N -4.76 4.45 0.34 5.54 0.04 -1.26 -4.64 135.00 134.72 3kk7 s PRO 327 Ca 0.65 1.85 0.09 0.00 0.04 0.00 0.00 61.00 63.63 3kk7 s PRO 327 Cb -0.20 -3.28 -0.06 0.00 0.04 0.00 0.00 34.50 30.99 3kk7 s PRO 327 CO 0.58 -0.18 -0.06 0.71 0.04 0.00 0.00 177.00 178.09 3kk7 s TYR 328 N 0.49 2.45 -0.16 0.56 2.02 -0.25 -4.90 117.35 117.56 3kk7 s TYR 328 Ca 0.56 -0.47 -0.29 0.00 -0.37 0.00 0.00 57.07 56.50 3kk7 s TYR 328 Cb -0.32 -1.40 -0.02 0.00 -0.40 0.00 0.00 41.96 39.83 3kk7 s TYR 328 CO 0.33 0.56 1.28 0.34 -1.57 0.00 0.00 175.55 176.49 3kk7 s ASP 329 N -3.64 6.93 0.57 2.29 2.15 -1.26 -1.16 116.67 122.55 3kk7 s ASP 329 Ca 0.33 1.72 0.26 0.00 0.43 0.00 0.00 52.55 55.29 3kk7 s ASP 329 Cb 0.01 -2.54 1.57 0.00 -0.30 0.00 0.00 42.92 41.67 3kk7 s ASP 329 CO 0.17 -0.77 2.11 -0.29 -0.17 0.00 0.00 175.17 176.23 3kk7 h ILE 330 N 5.49 0.61 0.00 4.11 6.09 -1.44 -1.33 117.51 131.04 3kk7 h ILE 330 Ca -0.27 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.22 3kk7 h ILE 330 Cb 1.11 0.87 0.00 0.00 0.47 0.00 0.00 36.82 39.27 3kk7 h ILE 330 CO 0.97 0.00 -0.94 0.35 -3.07 0.00 0.00 178.15 175.46 3kk7 n THR 331 N -4.03 0.06 -0.01 2.19 -2.24 -1.26 -0.92 114.28 108.07 3kk7 n THR 331 Ca 0.01 -0.11 -0.01 0.00 -2.27 0.00 0.00 64.05 61.68 3kk7 n THR 331 Cb 0.29 0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 69.00 3kk7 n THR 331 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3kk7 n ASN 332 N -1.70 4.61 -4.70 3.42 3.02 -1.04 -4.80 115.26 114.07 3kk7 n ASN 332 Ca 0.03 -0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.23 3kk7 n ASN 332 Cb 0.38 0.54 -0.09 0.00 -0.61 0.00 0.00 39.78 40.00 3kk7 n ASN 332 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3kk7 s TYR 333 N -2.04 3.30 0.03 3.10 6.14 -0.53 -5.05 117.35 122.30 3kk7 s TYR 333 Ca -0.01 0.20 0.04 0.00 0.64 0.00 0.00 57.07 57.95 3kk7 s TYR 333 Cb 0.00 -1.97 -0.02 0.00 0.42 0.00 0.00 41.96 40.40 3kk7 s TYR 333 CO 0.06 0.37 -0.13 0.45 0.64 0.00 0.00 175.55 176.95 3kk7 s SER 334 N -0.28 1.48 -0.11 4.32 0.15 -1.26 -4.62 113.70 113.37 3kk7 s SER 334 Ca 0.08 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.35 3kk7 s SER 334 Cb -0.12 -0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.10 3kk7 s SER 334 CO 0.02 0.03 -0.16 -0.63 1.20 0.00 0.00 173.24 173.70 3kk7 s ILE 335 N -0.75 1.54 -0.31 6.45 1.01 -0.19 -5.02 121.20 123.93 3kk7 s ILE 335 Ca 0.01 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 59.85 3kk7 s ILE 335 Cb -0.07 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 3kk7 s ILE 335 CO 0.01 0.45 0.33 -0.62 0.00 0.00 0.00 174.94 175.10 3kk7 s ASP 336 N 0.92 6.17 -0.40 3.58 2.15 -1.26 -1.57 116.67 126.26 3kk7 s ASP 336 Ca -0.08 -0.05 0.06 0.00 0.43 0.00 0.00 52.55 52.91 3kk7 s ASP 336 Cb -0.15 -2.18 0.62 0.00 -0.30 0.00 0.00 42.92 40.90 3kk7 s ASP 336 CO -0.01 -0.24 1.76 0.18 -0.17 0.00 0.00 175.17 176.70 3kk7 n LEU 337 N 5.30 5.85 -0.06 -1.34 4.77 0.79 -4.67 117.00 127.64 3kk7 n LEU 337 Ca -0.10 -3.67 -0.13 0.00 -0.03 0.00 0.00 56.01 52.08 3kk7 n LEU 337 Cb 0.50 -0.77 -0.06 0.00 -2.33 0.00 0.00 43.42 40.76 3kk7 n LEU 337 CO 0.38 1.12 0.58 0.74 -1.33 0.00 0.00 177.39 178.88 3kk7 h THR 338 N 1.02 1.34 -0.33 -5.08 2.02 -1.91 0.53 112.91 110.50 3kk7 h THR 338 Ca 0.49 -1.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.25 3kk7 h THR 338 Cb 2.46 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 70.67 3kk7 h THR 338 CO 0.86 0.41 -0.03 1.55 0.37 0.00 0.00 175.52 178.68 3kk7 h PRO 339 N 0.11 0.52 0.09 6.66 0.13 -1.89 -1.67 132.00 135.96 3kk7 h PRO 339 Ca 0.03 -0.12 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 3kk7 h PRO 339 Cb 0.75 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3kk7 h PRO 339 CO 0.05 0.57 -0.04 2.35 -0.23 0.00 0.00 178.00 180.69 3kk7 h TRP 340 N 0.49 -0.12 -0.55 1.56 7.01 -1.68 -2.22 115.95 120.46 3kk7 h TRP 340 Ca 0.10 -0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.21 3kk7 h TRP 340 Cb 0.37 0.04 -0.09 0.00 -2.10 0.00 0.00 29.16 27.38 3kk7 h TRP 340 CO 0.01 0.21 -0.01 1.25 -2.79 0.00 0.00 178.44 177.11 3kk7 h LEU 341 N -0.45 -0.26 -0.01 0.65 5.85 -0.60 -0.53 115.31 119.97 3kk7 h LEU 341 Ca -0.01 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3kk7 h LEU 341 Cb 0.37 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3kk7 h LEU 341 CO 0.02 -0.10 0.00 0.00 -0.34 0.00 0.00 178.44 178.03 3kk7 n GLN 342 N -5.26 0.03 0.24 1.25 10.64 -0.65 -2.25 117.38 121.38 3kk7 n GLN 342 Ca 0.07 0.05 0.13 0.00 -1.83 0.00 0.00 57.00 55.42 3kk7 n GLN 342 Cb 0.30 -1.53 0.52 0.00 -0.86 0.00 0.00 30.24 28.67 3kk7 n GLN 342 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3kk7 h SER 343 N 0.00 0.00 0.33 2.61 4.64 -0.44 -3.00 113.55 117.70 3kk7 h SER 343 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kk7 h SER 343 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3kk7 h SER 343 CO 0.00 0.11 0.00 0.18 -0.87 0.00 0.00 176.83 176.25 3kk7 n LEU 344 N -3.23 0.00 0.08 5.97 4.77 -0.95 -2.77 117.00 120.87 3kk7 n LEU 344 Ca 0.01 0.32 0.02 0.00 -0.03 0.00 0.00 56.01 56.33 3kk7 n LEU 344 Cb 0.39 -0.32 0.38 0.00 -2.33 0.00 0.00 43.42 41.55 3kk7 n LEU 344 CO 0.31 -0.15 0.94 0.78 -1.33 0.00 0.00 177.39 177.94 3kk7 h ASN 345 N 0.00 0.31 -2.94 -1.43 2.35 -1.71 -3.38 115.58 108.78 3kk7 h ASN 345 Ca 0.00 -0.05 -0.55 0.00 -0.55 0.00 0.00 56.30 55.15 3kk7 h ASN 345 Cb 0.17 -0.08 -0.07 0.00 0.05 0.00 0.00 38.32 38.39 3kk7 h ASN 345 CO 0.00 0.40 1.03 -0.62 -1.65 0.00 0.00 177.43 176.59 3kk7 s ASP 346 N -6.83 6.30 0.49 5.81 2.15 -1.11 -4.89 116.67 118.58 3kk7 s ASP 346 Ca -0.06 0.08 0.33 0.00 0.43 0.00 0.00 52.55 53.32 3kk7 s ASP 346 Cb 0.16 -2.55 1.76 0.00 -0.30 0.00 0.00 42.92 41.99 3kk7 s ASP 346 CO 0.74 -1.61 2.00 1.55 -0.17 0.00 0.00 175.17 177.68 3kk7 h PRO 347 N 10.12 0.00 0.00 4.34 0.13 -1.89 -1.20 132.00 143.51 3kk7 h PRO 347 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3kk7 h PRO 347 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3kk7 h PRO 347 CO 1.20 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.60 3kk7 n LYS 348 N -2.66 0.15 0.00 0.86 4.01 -1.26 -2.14 118.16 117.13 3kk7 n LYS 348 Ca -0.02 0.29 0.14 0.00 -0.51 0.00 0.00 58.31 58.21 3kk7 n LYS 348 Cb 0.06 -1.75 0.48 0.00 -0.51 0.00 0.00 35.03 33.32 3kk7 n LYS 348 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3kk7 n THR 349 N -2.03 0.00 -1.31 -0.18 -2.24 -0.45 -4.95 114.28 103.13 3kk7 n THR 349 Ca 0.04 -0.11 -0.31 0.00 -2.27 0.00 0.00 64.05 61.39 3kk7 n THR 349 Cb 0.28 0.21 0.09 0.00 -2.10 0.00 0.00 70.33 68.81 3kk7 n THR 349 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kk7 s HIS 350 N -2.45 2.56 0.00 4.78 3.76 -0.91 -1.88 115.29 121.15 3kk7 s HIS 350 Ca 0.27 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.74 3kk7 s HIS 350 Cb 0.20 -3.07 0.00 0.00 1.11 0.00 0.00 32.58 30.82 3kk7 s HIS 350 CO 0.49 -1.81 0.00 -2.37 -0.85 0.00 0.00 174.74 170.19 3kk7 n THR 351 N -3.40 0.00 0.00 1.30 5.66 -0.68 -4.56 114.28 112.60 3kk7 n THR 351 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 3kk7 n THR 351 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 3kk7 n THR 351 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 3kk7 n ILE 353 N -0.33 0.00 -3.54 1.09 -5.35 -0.53 -1.12 119.36 109.58 3kk7 n ILE 353 Ca 0.00 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.40 3kk7 n ILE 353 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 3kk7 n ILE 353 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3kk7 s ASP 354 N 0.00 -0.30 0.14 7.28 -1.08 -1.17 -4.47 116.67 117.06 3kk7 s ASP 354 Ca 0.00 0.08 -0.04 0.00 -0.52 0.00 0.00 52.55 52.07 3kk7 s ASP 354 Cb 0.00 0.30 -0.05 0.00 -1.46 0.00 0.00 42.92 41.71 3kk7 s ASP 354 CO 0.00 -0.45 0.36 -0.76 0.52 0.00 0.00 175.17 174.83 3kk7 s LEU 355 N -2.10 4.27 0.62 -1.34 1.43 -1.26 -0.47 118.68 119.83 3kk7 s LEU 355 Ca 0.05 0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 53.60 3kk7 s LEU 355 Cb -0.01 -3.27 -0.01 0.00 0.03 0.00 0.00 46.19 42.94 3kk7 s LEU 355 CO -0.06 0.06 0.98 -1.10 0.23 0.00 0.00 176.35 176.46 3kk7 s GLN 356 N -2.68 3.19 0.14 1.70 -0.21 -0.60 -4.80 119.66 116.40 3kk7 s GLN 356 Ca 0.40 0.38 -0.31 0.00 0.02 0.00 0.00 55.36 55.85 3kk7 s GLN 356 Cb -0.12 -2.16 -0.10 0.00 1.00 0.00 0.00 33.01 31.63 3kk7 s GLN 356 CO 0.25 -0.69 1.68 -0.51 -2.12 0.00 0.00 175.29 173.90 3kk7 s ASP 357 N -4.25 6.51 -0.66 5.90 1.11 -1.26 -1.58 116.67 122.44 3kk7 s ASP 357 Ca 0.54 2.67 0.00 0.00 0.18 0.00 0.00 52.55 55.94 3kk7 s ASP 357 Cb -0.11 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.30 3kk7 s ASP 357 CO 0.50 -0.91 0.00 0.61 1.18 0.00 0.00 175.17 176.55 3kk7 n GLY 358 N 3.96 0.83 0.01 0.21 0.00 0.10 -4.90 105.19 105.40 3kk7 n GLY 358 Ca 0.16 -0.44 0.15 0.00 0.00 0.00 0.00 46.02 45.88 3kk7 n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kk7 n GLY 359 N -1.71 -1.28 3.37 -0.02 0.00 -0.44 -4.25 105.19 100.86 3kk7 n GLY 359 Ca -0.06 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 3kk7 n GLY 359 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kk7 s LEU 360 N -2.59 3.31 0.09 0.99 1.43 0.29 0.19 118.68 122.39 3kk7 s LEU 360 Ca 0.28 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 3kk7 s LEU 360 Cb 0.20 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 3kk7 s LEU 360 CO 0.47 -0.06 0.13 -0.31 0.23 0.00 0.00 176.35 176.80 3kk7 s TYR 361 N 1.53 3.28 0.50 0.29 1.51 -0.10 -0.86 117.35 123.50 3kk7 s TYR 361 Ca 0.05 0.11 -0.21 0.00 -1.01 0.00 0.00 57.07 56.01 3kk7 s TYR 361 Cb -0.15 -1.64 -0.07 0.00 -0.11 0.00 0.00 41.96 39.99 3kk7 s TYR 361 CO 0.00 0.54 1.16 -1.25 -1.11 0.00 0.00 175.55 174.89 3kk7 s PRO 362 N -2.56 3.56 0.44 -1.71 0.04 -1.26 -0.45 135.00 133.06 3kk7 s PRO 362 Ca 0.31 1.73 0.15 0.00 0.04 0.00 0.00 61.00 63.23 3kk7 s PRO 362 Cb -0.12 -2.24 1.05 0.00 0.04 0.00 0.00 34.50 33.23 3kk7 s PRO 362 CO 0.24 -0.70 1.97 0.82 0.04 0.00 0.00 177.00 179.36 3kk7 h ILE 363 N 1.58 0.87 -0.09 0.56 2.04 -1.91 -1.22 117.51 119.33 3kk7 h ILE 363 Ca -0.50 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.26 3kk7 h ILE 363 Cb 1.26 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3kk7 h ILE 363 CO 0.59 0.07 0.10 0.77 0.00 0.00 0.00 178.15 179.68 3kk7 h SER 364 N 0.39 0.00 0.86 1.72 4.64 -1.91 -1.06 113.55 118.18 3kk7 h SER 364 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3kk7 h SER 364 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3kk7 h SER 364 CO -0.08 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.35 3kk7 n ASP 365 N -3.89 0.52 -0.79 4.97 8.00 -0.46 -3.43 116.55 121.47 3kk7 n ASP 365 Ca -0.01 0.60 0.07 0.00 0.71 0.00 0.00 54.79 56.16 3kk7 n ASP 365 Cb 0.20 -0.72 0.19 0.00 -0.02 0.00 0.00 41.12 40.78 3kk7 n ASP 365 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3kk7 n PHE 366 N -2.04 0.62 -4.19 1.24 3.01 -0.40 -4.71 117.46 110.98 3kk7 n PHE 366 Ca 0.03 -0.54 -0.14 0.00 1.01 0.00 0.00 57.45 57.81 3kk7 n PHE 366 Cb 0.27 -0.06 -0.11 0.00 -0.01 0.00 0.00 39.48 39.57 3kk7 n PHE 366 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 3kk7 s ILE 367 N -1.23 0.99 -0.13 4.37 -4.36 -1.22 -4.15 121.20 115.47 3kk7 s ILE 367 Ca 0.29 -1.72 0.19 0.00 -0.26 0.00 0.00 60.65 59.16 3kk7 s ILE 367 Cb 0.17 -1.46 -0.19 0.00 1.25 0.00 0.00 42.46 42.23 3kk7 s ILE 367 CO 0.18 -0.59 0.61 0.18 0.24 0.00 0.00 174.94 175.55 3kk7 n LEU 368 N 0.42 0.46 -4.64 0.37 4.77 -1.26 -4.92 117.00 112.20 3kk7 n LEU 368 Ca -0.15 0.20 -0.43 0.00 -0.03 0.00 0.00 56.01 55.60 3kk7 n LEU 368 Cb 0.58 0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.77 3kk7 n LEU 368 CO 0.28 0.14 1.28 -1.61 -1.33 0.00 0.00 177.39 176.15 3kk7 s GLU 369 N -3.05 3.99 0.21 3.23 8.01 -1.26 -4.60 118.70 125.24 3kk7 s GLU 369 Ca -0.05 1.75 -0.09 0.00 0.01 0.00 0.00 54.97 56.59 3kk7 s GLU 369 Cb 0.10 -3.95 0.28 0.00 -4.31 0.00 0.00 34.13 26.25 3kk7 s GLU 369 CO 0.84 -1.04 1.77 1.49 0.01 0.00 0.00 175.26 178.33 3kk7 h GLU 370 N 9.75 0.53 -0.21 1.61 4.57 -0.77 -0.90 114.58 129.16 3kk7 h GLU 370 Ca -0.33 -0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 57.66 3kk7 h GLU 370 Cb 1.14 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 3kk7 h GLU 370 CO 0.99 0.35 -0.54 -2.95 -1.18 0.00 0.00 179.01 175.68 3kk7 h ASN 371 N 0.55 0.68 -0.54 1.04 -1.07 -1.91 -1.82 115.58 112.51 3kk7 h ASN 371 Ca 0.32 -0.36 -0.08 0.00 0.07 0.00 0.00 56.30 56.25 3kk7 h ASN 371 Cb 0.32 -0.19 -0.02 0.00 -2.07 0.00 0.00 38.32 36.36 3kk7 h ASN 371 CO -0.25 1.08 0.02 -0.26 0.07 0.00 0.00 177.43 178.09 3kk7 h PHE 372 N 0.47 1.02 -0.02 4.14 0.04 -1.84 0.16 116.94 120.91 3kk7 h PHE 372 Ca 0.01 -0.17 0.01 0.00 2.80 0.00 0.00 57.97 60.63 3kk7 h PHE 372 Cb 1.09 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 3kk7 h PHE 372 CO 0.05 0.92 -0.06 0.87 -0.60 0.00 0.00 178.31 179.49 3kk7 h LYS 373 N 0.82 -0.10 -0.25 1.51 1.57 -1.03 -0.37 116.57 118.71 3kk7 h LYS 373 Ca 0.16 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 3kk7 h LYS 373 Cb 0.50 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 3kk7 h LYS 373 CO 0.02 -0.07 -0.21 1.96 -0.57 0.00 0.00 179.45 180.58 3kk7 h GLN 374 N -0.10 0.46 -0.27 3.15 4.20 -1.20 -1.68 115.11 119.67 3kk7 h GLN 374 Ca 0.03 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.50 3kk7 h GLN 374 Cb 0.15 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3kk7 h GLN 374 CO -0.08 0.65 -0.15 -0.09 -0.67 0.00 0.00 178.83 178.49 3kk7 h ARG 375 N 0.41 0.57 -0.05 1.46 2.43 -0.64 -0.54 114.38 118.02 3kk7 h ARG 375 Ca 0.07 -0.26 0.03 0.00 -0.81 0.00 0.00 59.98 59.01 3kk7 h ARG 375 Cb 0.61 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.08 3kk7 h ARG 375 CO 0.04 0.83 -0.51 -0.92 -1.51 0.00 0.00 179.97 177.90 3kk7 h TYR 376 N 0.30 -1.50 -0.43 2.20 3.20 -0.86 0.14 116.97 120.02 3kk7 h TYR 376 Ca 0.06 0.05 0.09 0.00 3.14 0.00 0.00 58.73 62.07 3kk7 h TYR 376 Cb 0.67 0.66 -0.08 0.00 1.54 0.00 0.00 36.73 39.52 3kk7 h TYR 376 CO 0.06 -0.55 -0.12 -0.91 -1.64 0.00 0.00 178.16 175.00 3kk7 h ASN 377 N -0.62 -0.44 1.86 -2.11 2.35 -1.09 -1.01 115.58 114.53 3kk7 h ASN 377 Ca 0.03 0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 3kk7 h ASN 377 Cb 0.70 0.28 -0.00 0.00 0.05 0.00 0.00 38.32 39.35 3kk7 h ASN 377 CO -0.38 -0.16 -0.14 0.44 -1.65 0.00 0.00 177.43 175.54 3kk7 h ASP 378 N -0.02 0.00 0.10 5.81 3.32 -0.90 -2.36 116.42 122.38 3kk7 h ASP 378 Ca 0.21 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.10 3kk7 h ASP 378 Cb 0.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3kk7 h ASP 378 CO -0.45 0.14 -0.58 0.74 -1.72 0.00 0.00 179.24 177.37 3kk7 h THR 379 N 0.00 1.34 0.00 0.35 2.02 -0.36 0.27 112.91 116.52 3kk7 h THR 379 Ca -0.00 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.32 3kk7 h THR 379 Cb 1.11 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 3kk7 h THR 379 CO 0.02 0.57 0.00 1.57 0.37 0.00 0.00 175.52 178.05 3kk7 n HIS 380 N -3.93 0.00 -2.11 3.16 -0.00 -0.41 -4.56 115.22 107.36 3kk7 n HIS 380 Ca -0.03 -0.13 -0.03 0.00 -0.00 0.00 0.00 57.72 57.53 3kk7 n HIS 380 Cb 0.62 -0.12 -0.03 0.00 -0.00 0.00 0.00 29.99 30.45 3kk7 n HIS 380 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 3kk7 n ASP 382 N 0.71 -0.32 0.04 0.26 8.00 -0.87 -4.58 116.55 119.80 3kk7 n ASP 382 Ca 0.00 -1.82 0.06 0.00 0.71 0.00 0.00 54.79 53.75 3kk7 n ASP 382 Cb 0.15 0.08 -0.07 0.00 -0.02 0.00 0.00 41.12 41.26 3kk7 n ASP 382 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3kk7 n PHE 383 N 0.11 0.71 -4.19 1.24 3.72 0.88 -4.95 117.46 114.98 3kk7 n PHE 383 Ca -0.14 0.22 -0.16 0.00 -0.05 0.00 0.00 57.45 57.32 3kk7 n PHE 383 Cb 0.76 -0.91 -0.13 0.00 -0.94 0.00 0.00 39.48 38.26 3kk7 n PHE 383 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3kk7 s GLN 384 N -3.20 0.61 -0.48 -1.08 -1.52 -0.95 -4.93 119.66 108.10 3kk7 s GLN 384 Ca -0.03 -0.54 0.06 0.00 -1.95 0.00 0.00 55.36 52.90 3kk7 s GLN 384 Cb 0.10 -0.52 0.22 0.00 -0.22 0.00 0.00 33.01 32.60 3kk7 s GLN 384 CO 0.82 0.12 0.77 0.98 -0.25 0.00 0.00 175.29 177.74 3kk7 n TYR 385 N 2.15 -2.99 -2.95 0.91 9.36 -1.26 -4.16 117.16 118.22 3kk7 n TYR 385 Ca -0.18 -1.95 -0.42 0.00 3.32 0.00 0.00 57.90 58.67 3kk7 n TYR 385 Cb 0.56 1.24 -0.05 0.00 -0.63 0.00 0.00 39.34 40.46 3kk7 n TYR 385 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 3kk7 s GLN 386 N 0.48 4.06 0.07 2.98 0.74 -1.26 -4.94 119.66 121.79 3kk7 s GLN 386 Ca 0.32 0.69 -0.23 0.00 0.05 0.00 0.00 55.36 56.19 3kk7 s GLN 386 Cb 0.15 -3.69 -0.15 0.00 1.10 0.00 0.00 33.01 30.42 3kk7 s GLN 386 CO -0.17 -0.58 1.66 0.93 -0.55 0.00 0.00 175.29 176.57 3kk7 h GLU 387 N 7.94 0.05 -4.83 1.67 5.08 -1.99 -3.39 114.58 119.12 3kk7 h GLU 387 Ca -0.24 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 57.83 3kk7 h GLU 387 Cb 1.10 -0.01 -0.17 0.00 0.50 0.00 0.00 28.75 30.17 3kk7 h GLU 387 CO 0.86 0.13 -0.72 -1.12 -1.00 0.00 0.00 179.01 177.16 3kk7 s SER 388 N -5.32 1.33 0.71 1.42 0.01 -1.26 -4.36 113.70 106.22 3kk7 s SER 388 Ca -0.14 -0.87 -0.16 0.00 1.31 0.00 0.00 55.95 56.09 3kk7 s SER 388 Cb 0.06 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.34 3kk7 s SER 388 CO 0.67 -0.33 1.17 0.18 0.41 0.00 0.00 173.24 175.34 3kk7 n LEU 389 N 0.37 4.85 -4.29 2.44 4.77 -1.26 -4.94 117.00 118.94 3kk7 n LEU 389 Ca -0.15 0.72 -0.17 0.00 -0.03 0.00 0.00 56.01 56.38 3kk7 n LEU 389 Cb 0.59 -1.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.09 3kk7 n LEU 389 CO 0.28 -1.50 -0.20 -1.61 -1.33 0.00 0.00 177.39 173.03 3kk7 s GLU 390 N -3.53 1.51 -0.14 3.23 2.02 0.42 -4.83 118.70 117.39 3kk7 s GLU 390 Ca 0.78 -1.85 -0.30 0.00 0.02 0.00 0.00 54.97 53.62 3kk7 s GLU 390 Cb -0.35 0.04 -0.07 0.00 0.10 0.00 0.00 34.13 33.85 3kk7 s GLU 390 CO 0.46 -0.45 2.12 -1.91 0.02 0.00 0.00 175.26 175.49 3kk7 n GLU 391 N -0.51 2.19 -1.23 1.61 2.13 -1.26 -4.16 120.64 119.41 3kk7 n GLU 391 Ca 0.02 0.70 -0.32 0.00 0.66 0.00 0.00 57.16 58.21 3kk7 n GLU 391 Cb 0.65 -3.06 0.11 0.00 0.27 0.00 0.00 31.44 29.40 3kk7 n GLU 391 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3kk7 s PRO 392 N 5.59 1.96 0.02 5.31 0.02 -1.26 -4.84 135.00 141.80 3kk7 s PRO 392 Ca 0.97 1.48 -0.28 0.00 0.02 0.00 0.00 61.00 63.19 3kk7 s PRO 392 Cb -0.44 -1.84 0.10 0.00 0.02 0.00 0.00 34.50 32.34 3kk7 s PRO 392 CO 0.40 -1.92 0.87 1.52 -0.33 0.00 0.00 177.00 177.55 3kk7 s TYR 393 N -2.48 -0.34 -0.16 6.54 -0.85 -0.96 -4.40 117.35 114.70 3kk7 s TYR 393 Ca 0.67 0.18 -0.04 0.00 -0.52 0.00 0.00 57.07 57.37 3kk7 s TYR 393 Cb -0.23 0.55 -0.03 0.00 0.38 0.00 0.00 41.96 42.64 3kk7 s TYR 393 CO 0.51 -0.60 -0.03 0.42 -1.52 0.00 0.00 175.55 174.33 3kk7 s ILE 394 N -3.18 3.92 -0.10 -3.49 1.01 -0.07 0.38 121.20 119.67 3kk7 s ILE 394 Ca 0.05 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.38 3kk7 s ILE 394 Cb -0.01 -2.72 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 3kk7 s ILE 394 CO -0.08 0.49 -0.16 -1.83 0.00 0.00 0.00 174.94 173.35 3kk7 s GLU 395 N 0.38 3.03 -0.41 2.79 -1.05 -0.37 -1.12 118.70 121.94 3kk7 s GLU 395 Ca -0.04 -0.74 -0.15 0.00 -0.15 0.00 0.00 54.97 53.89 3kk7 s GLU 395 Cb -0.14 -2.47 0.02 0.00 -0.44 0.00 0.00 34.13 31.10 3kk7 s GLU 395 CO 0.03 0.33 0.31 0.42 0.95 0.00 0.00 175.26 177.30 3kk7 s ILE 396 N 0.03 5.25 0.02 1.83 1.01 0.48 -0.25 121.20 129.57 3kk7 s ILE 396 Ca -0.06 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 59.96 3kk7 s ILE 396 Cb -0.15 -3.94 -0.00 0.00 0.01 0.00 0.00 42.46 38.38 3kk7 s ILE 396 CO 0.05 -0.32 0.01 2.30 0.00 0.00 0.00 174.94 176.98 3kk7 n ILE 397 N 5.18 0.00 -2.29 2.92 -5.35 -0.20 -1.67 119.36 117.95 3kk7 n ILE 397 Ca -0.11 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 3kk7 n ILE 397 Cb 0.47 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 3kk7 n ILE 397 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kk7 n LYS 398 N -0.05 2.42 -5.20 6.28 5.02 -0.49 -0.93 118.16 125.20 3kk7 n LYS 398 Ca -0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 3kk7 n LYS 398 Cb 0.04 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.88 3kk7 n LYS 398 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3kk7 s TYR 400 N 1.71 2.50 -0.14 2.13 5.04 -1.26 -1.09 117.35 126.23 3kk7 s TYR 400 Ca 0.00 -0.98 -0.12 0.00 -2.44 0.00 0.00 57.07 53.54 3kk7 s TYR 400 Cb 0.00 -1.67 -0.06 0.00 0.35 0.00 0.00 41.96 40.58 3kk7 s TYR 400 CO 0.00 -0.38 -0.26 -0.89 -1.34 0.00 0.00 175.55 172.68 3kk7 n ILE 401 N 3.43 1.30 -3.90 3.14 2.08 -0.40 -4.87 119.36 120.13 3kk7 n ILE 401 Ca -0.19 0.01 -0.01 0.00 0.56 0.00 0.00 62.75 63.12 3kk7 n ILE 401 Cb 0.53 -1.99 0.02 0.00 -0.75 0.00 0.00 39.64 37.45 3kk7 n ILE 401 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 3kk7 n ARG 402 N -4.07 0.50 -3.98 0.38 1.85 -1.23 -5.04 116.66 105.06 3kk7 n ARG 402 Ca -0.22 -1.21 -0.24 0.00 -1.00 0.00 0.00 57.85 55.18 3kk7 n ARG 402 Cb 0.54 1.70 -0.03 0.00 -1.05 0.00 0.00 32.46 33.62 3kk7 n ARG 402 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3kk7 s LYS 403 N -2.04 3.35 0.50 2.89 1.02 -1.26 -1.00 119.74 123.20 3kk7 s LYS 403 Ca 0.23 -0.73 -0.04 0.00 0.02 0.00 0.00 55.97 55.45 3kk7 s LYS 403 Cb -0.02 -2.87 -0.01 0.00 -0.52 0.00 0.00 37.83 34.40 3kk7 s LYS 403 CO 0.04 0.47 0.78 -1.54 -0.92 0.00 0.00 175.35 174.17 3kk7 s SER 404 N -3.60 5.94 0.54 2.83 1.04 -0.21 -4.91 113.70 115.33 3kk7 s SER 404 Ca 0.34 0.67 0.33 0.00 0.48 0.00 0.00 55.95 57.77 3kk7 s SER 404 Cb -0.10 -1.88 1.50 0.00 0.10 0.00 0.00 66.02 65.64 3kk7 s SER 404 CO 0.28 -0.75 1.86 -0.55 0.98 0.00 0.00 173.24 175.07 3kk7 h ASN 405 N 0.17 0.00 -0.19 7.02 7.08 -2.00 0.32 115.58 127.99 3kk7 h ASN 405 Ca -0.46 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.76 3kk7 h ASN 405 Cb 1.23 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.47 3kk7 h ASN 405 CO 0.60 0.00 0.00 -1.54 -2.08 0.00 0.00 177.43 174.41 3kk7 n SER 406 N -4.22 1.10 0.00 6.14 3.41 -1.26 -4.91 113.62 113.87 3kk7 n SER 406 Ca 0.20 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.90 3kk7 n SER 406 Cb 1.03 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 3kk7 n SER 406 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kk7 n GLY 407 N 0.87 0.70 3.64 5.00 0.00 0.11 -5.01 105.19 110.50 3kk7 n GLY 407 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 3kk7 n GLY 407 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kk7 s GLU 408 N -0.19 3.99 0.19 1.61 2.12 -1.25 -4.75 118.70 120.42 3kk7 s GLU 408 Ca 0.00 1.51 -0.32 0.00 0.36 0.00 0.00 54.97 56.52 3kk7 s GLU 408 Cb 0.00 -3.89 -0.11 0.00 0.26 0.00 0.00 34.13 30.39 3kk7 s GLU 408 CO 0.00 -1.03 1.66 0.15 -0.54 0.00 0.00 175.26 175.49 3kk7 s LYS 409 N 4.10 4.16 -0.01 4.30 1.02 -1.26 -1.05 119.74 131.00 3kk7 s LYS 409 Ca 0.60 2.50 0.04 0.00 0.02 0.00 0.00 55.97 59.13 3kk7 s LYS 409 Cb -0.21 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 3kk7 s LYS 409 CO 0.23 -0.69 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.35 3kk7 s LEU 410 N 1.14 2.99 0.09 3.17 1.43 -0.17 -4.93 118.68 122.39 3kk7 s LEU 410 Ca 0.73 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.69 3kk7 s LEU 410 Cb -0.47 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 3kk7 s LEU 410 CO 0.32 0.30 -0.14 -0.31 0.23 0.00 0.00 176.35 176.74 3kk7 s TYR 411 N -0.92 1.28 0.30 0.29 1.51 -1.26 -1.28 117.35 117.28 3kk7 s TYR 411 Ca 0.15 -0.49 0.06 0.00 -1.01 0.00 0.00 57.07 55.78 3kk7 s TYR 411 Cb -0.11 -0.71 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 3kk7 s TYR 411 CO 0.05 0.08 0.41 0.34 -1.11 0.00 0.00 175.55 175.33 3kk7 s ASP 412 N -1.96 6.02 -0.22 2.29 2.15 -1.26 -4.71 116.67 118.99 3kk7 s ASP 412 Ca 0.01 -0.13 -0.05 0.00 0.43 0.00 0.00 52.55 52.82 3kk7 s ASP 412 Cb -0.08 -1.42 -0.02 0.00 -0.30 0.00 0.00 42.92 41.10 3kk7 s ASP 412 CO 0.02 -0.30 -0.01 -0.63 -0.17 0.00 0.00 175.17 174.09 3kk7 s ILE 413 N -2.12 3.72 0.01 4.11 1.01 -1.26 -4.37 121.20 122.30 3kk7 s ILE 413 Ca 0.41 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.71 3kk7 s ILE 413 Cb -0.09 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 3kk7 s ILE 413 CO 0.30 0.41 -0.10 0.68 0.00 0.00 0.00 174.94 176.23 3kk7 s VAL 414 N 1.31 0.75 0.31 2.92 -7.23 -0.10 -4.97 120.40 113.38 3kk7 s VAL 414 Ca 0.04 -0.61 -0.15 0.00 -1.81 0.00 0.00 61.98 59.45 3kk7 s VAL 414 Cb -0.15 -0.67 -0.09 0.00 0.56 0.00 0.00 36.38 36.03 3kk7 s VAL 414 CO -0.00 0.06 0.72 -2.16 -0.31 0.00 0.00 175.10 173.41 3kk7 s PRO 415 N -0.62 4.01 -0.08 4.82 0.04 -1.26 -1.04 135.00 140.87 3kk7 s PRO 415 Ca 0.01 0.65 -0.03 0.00 0.04 0.00 0.00 61.00 61.68 3kk7 s PRO 415 Cb -0.05 -2.48 0.04 0.00 0.04 0.00 0.00 34.50 32.05 3kk7 s PRO 415 CO 0.00 0.19 0.05 0.08 0.04 0.00 0.00 177.00 177.36 3kk7 s VAL 416 N -1.94 0.03 -0.23 -0.36 1.01 0.65 -1.64 120.40 117.93 3kk7 s VAL 416 Ca 0.53 0.18 -0.25 0.00 0.00 0.00 0.00 61.98 62.45 3kk7 s VAL 416 Cb -0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 3kk7 s VAL 416 CO 0.18 0.07 0.82 -0.22 0.00 0.00 0.00 175.10 175.96 3kk7 s LEU 417 N 2.11 4.10 -0.24 3.92 2.96 -0.41 -1.23 118.68 129.88 3kk7 s LEU 417 Ca 0.04 1.05 -0.17 0.00 -0.22 0.00 0.00 54.13 54.83 3kk7 s LEU 417 Cb -0.13 -3.19 -0.03 0.00 0.50 0.00 0.00 46.19 43.34 3kk7 s LEU 417 CO -0.05 -0.49 0.46 0.20 -1.32 0.00 0.00 176.35 175.15 3kk7 s ASN 418 N 1.31 6.43 0.74 3.68 0.02 0.16 -0.18 114.94 127.09 3kk7 s ASN 418 Ca 0.35 0.51 -0.10 0.00 -1.02 0.00 0.00 52.86 52.61 3kk7 s ASN 418 Cb -0.15 -2.26 0.06 0.00 0.02 0.00 0.00 41.25 38.91 3kk7 s ASN 418 CO 0.08 -0.20 1.09 0.42 0.02 0.00 0.00 177.10 178.51 3kk7 s THR 419 N 1.90 2.50 0.52 1.60 -4.23 -0.03 -2.28 115.64 115.63 3kk7 s THR 419 Ca 0.20 -0.01 0.32 0.00 -1.18 0.00 0.00 61.69 61.02 3kk7 s THR 419 Cb -0.15 -3.13 0.50 0.00 1.34 0.00 0.00 72.50 71.06 3kk7 s THR 419 CO 0.09 -0.15 1.85 0.03 -0.54 0.00 0.00 174.62 175.90 3kk7 h ARG 420 N -0.76 0.05 -0.00 3.99 3.08 -1.89 -0.78 114.38 118.08 3kk7 h ARG 420 Ca -0.45 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3kk7 h ARG 420 Cb 1.31 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3kk7 h ARG 420 CO 0.63 0.04 -0.23 1.04 -1.07 0.00 0.00 179.97 180.38 3kk7 n GLN 421 N -4.28 0.10 -0.22 0.04 3.00 -1.26 -0.44 117.38 114.33 3kk7 n GLN 421 Ca 0.22 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 3kk7 n GLN 421 Cb 1.04 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.78 3kk7 n GLN 421 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kk7 n GLY 422 N 1.47 0.82 3.77 1.08 0.00 -0.30 -4.88 105.19 107.15 3kk7 n GLY 422 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3kk7 n GLY 422 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kk7 s ASP 423 N -2.25 7.16 -0.43 1.61 1.01 -1.26 -4.61 116.67 117.91 3kk7 s ASP 423 Ca 0.00 2.02 -0.16 0.00 0.71 0.00 0.00 52.55 55.12 3kk7 s ASP 423 Cb 0.00 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.37 3kk7 s ASP 423 CO 0.00 -0.20 0.36 -0.54 0.21 0.00 0.00 175.17 175.00 3kk7 s LYS 424 N -1.96 3.00 -0.67 8.23 -0.14 -0.16 -0.85 119.74 127.20 3kk7 s LYS 424 Ca 0.50 -1.03 -0.19 0.00 -1.36 0.00 0.00 55.97 53.89 3kk7 s LYS 424 Cb -0.24 -4.01 0.11 0.00 -1.68 0.00 0.00 37.83 32.01 3kk7 s LYS 424 CO 0.30 -0.85 0.82 -0.51 -0.76 0.00 0.00 175.35 174.35 3kk7 s LEU 425 N 1.81 5.21 -0.24 3.17 1.43 0.74 -0.26 118.68 130.54 3kk7 s LEU 425 Ca 0.07 -1.50 -0.29 0.00 -1.03 0.00 0.00 54.13 51.38 3kk7 s LEU 425 Cb -0.20 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.70 3kk7 s LEU 425 CO 0.10 -1.15 1.03 -0.63 0.23 0.00 0.00 176.35 175.93 3kk7 s ILE 426 N 2.83 4.67 -0.90 -0.59 1.01 0.15 -1.29 121.20 127.09 3kk7 s ILE 426 Ca 0.17 1.96 -0.18 0.00 0.00 0.00 0.00 60.65 62.60 3kk7 s ILE 426 Cb -0.19 -4.31 0.14 0.00 0.01 0.00 0.00 42.46 38.11 3kk7 s ILE 426 CO 0.04 -0.21 1.06 -0.36 0.00 0.00 0.00 174.94 175.47 3kk7 s PHE 427 N 3.23 3.21 0.42 3.97 0.08 -0.65 -1.20 117.98 127.03 3kk7 s PHE 427 Ca 0.44 -1.46 -0.02 0.00 0.12 0.00 0.00 56.93 56.00 3kk7 s PHE 427 Cb -0.15 -4.20 -0.03 0.00 -0.57 0.00 0.00 43.02 38.07 3kk7 s PHE 427 CO 0.07 -1.41 0.67 -1.54 -0.10 0.00 0.00 175.22 172.91 3kk7 s SER 428 N 3.40 6.28 -0.57 1.36 1.04 -0.91 -4.32 113.70 119.98 3kk7 s SER 428 Ca 0.30 0.69 0.02 0.00 0.48 0.00 0.00 55.95 57.44 3kk7 s SER 428 Cb -0.06 -2.14 0.14 0.00 0.10 0.00 0.00 66.02 64.06 3kk7 s SER 428 CO -0.09 -0.44 0.33 0.20 0.98 0.00 0.00 173.24 174.22 3kk7 s ASN 429 N -4.07 4.62 0.44 7.02 0.01 -1.26 -2.42 114.94 119.28 3kk7 s ASN 429 Ca 0.44 -3.03 0.19 0.00 -0.71 0.00 0.00 52.86 49.75 3kk7 s ASN 429 Cb -0.10 -1.70 1.15 0.00 0.41 0.00 0.00 41.25 41.00 3kk7 s ASN 429 CO 0.41 -0.26 1.88 1.55 -1.51 0.00 0.00 177.10 179.17 3kk7 h PRO 430 N 6.57 0.32 0.00 -0.60 0.13 -1.96 0.37 132.00 136.82 3kk7 h PRO 430 Ca -0.05 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3kk7 h PRO 430 Cb 0.90 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3kk7 h PRO 430 CO 0.70 0.21 0.00 -0.40 -0.23 0.00 0.00 178.00 178.28 3kk7 n ASP 431 N -4.46 0.00 -0.14 1.44 5.68 -1.26 -3.43 116.55 114.38 3kk7 n ASP 431 Ca 0.17 -0.68 -0.02 0.00 -0.50 0.00 0.00 54.79 53.76 3kk7 n ASP 431 Cb 0.69 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.88 3kk7 n ASP 431 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kk7 h ALA 432 N 3.22 1.30 -0.07 2.12 0.00 -0.69 -2.37 119.26 122.78 3kk7 h ALA 432 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3kk7 h ALA 432 Cb 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3kk7 h ALA 432 CO 0.00 0.51 0.07 0.00 0.00 0.00 0.00 179.25 179.84 3kk7 h ALA 433 N 1.41 1.67 -0.00 0.00 0.00 -1.77 -1.03 119.26 119.54 3kk7 h ALA 433 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kk7 h ALA 433 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kk7 h ALA 433 CO -0.02 -0.11 -0.03 -1.13 0.00 0.00 0.00 179.25 177.97 3kk7 n SER 434 N -3.89 0.04 -4.77 0.00 3.41 -0.89 -4.83 113.62 102.68 3kk7 n SER 434 Ca -0.01 0.25 -0.32 0.00 -0.26 0.00 0.00 58.87 58.52 3kk7 n SER 434 Cb 0.17 -0.39 0.06 0.00 -0.26 0.00 0.00 64.21 63.78 3kk7 n SER 434 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3kk7 s GLN 435 N -2.86 2.69 0.55 4.33 -0.21 -0.39 -5.02 119.66 118.73 3kk7 s GLN 435 Ca 0.18 1.32 -0.18 0.00 0.02 0.00 0.00 55.36 56.71 3kk7 s GLN 435 Cb 0.19 -1.94 -0.06 0.00 1.00 0.00 0.00 33.01 32.21 3kk7 s GLN 435 CO 0.52 -1.33 1.06 -1.54 -2.12 0.00 0.00 175.29 171.87 3kk7 s SER 436 N -2.81 5.98 0.25 5.90 1.04 -1.26 -4.89 113.70 117.92 3kk7 s SER 436 Ca 0.65 1.90 -0.03 0.00 0.48 0.00 0.00 55.95 58.95 3kk7 s SER 436 Cb -0.19 -2.55 0.51 0.00 0.10 0.00 0.00 66.02 63.89 3kk7 s SER 436 CO 0.45 -1.03 1.71 0.44 0.98 0.00 0.00 173.24 175.79 3kk7 h ASP 437 N 0.94 0.21 0.15 7.02 5.19 -1.96 -1.97 116.42 126.00 3kk7 h ASP 437 Ca -0.48 0.13 0.01 0.00 -0.62 0.00 0.00 57.03 56.07 3kk7 h ASP 437 Cb 1.22 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.84 3kk7 h ASP 437 CO 0.58 0.04 -0.21 -0.33 -3.12 0.00 0.00 179.24 176.21 3kk7 h GLU 438 N 0.39 -0.40 -0.10 3.56 3.07 -1.99 0.13 114.58 119.24 3kk7 h GLU 438 Ca 0.44 0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 59.21 3kk7 h GLU 438 Cb 0.74 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.73 3kk7 h GLU 438 CO -0.46 -0.27 -0.48 1.05 -1.40 0.00 0.00 179.01 177.45 3kk7 h GLU 439 N -0.41 0.24 -0.60 2.33 4.11 -1.82 -1.38 114.58 117.06 3kk7 h GLU 439 Ca 0.01 -0.13 -0.05 0.00 0.07 0.00 0.00 59.36 59.26 3kk7 h GLU 439 Cb 0.41 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3kk7 h GLU 439 CO -0.09 0.68 0.18 -0.07 0.07 0.00 0.00 179.01 179.78 3kk7 h LEU 440 N 0.20 0.87 -0.73 3.06 3.38 -1.20 -2.72 115.31 118.17 3kk7 h LEU 440 Ca 0.01 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.84 3kk7 h LEU 440 Cb 0.93 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 3kk7 h LEU 440 CO 0.07 0.86 0.42 0.50 0.09 0.00 0.00 178.44 180.38 3kk7 h LYS 441 N 0.85 0.73 -0.73 1.13 3.64 -0.45 -1.99 116.57 119.76 3kk7 h LYS 441 Ca 0.19 -0.04 0.21 0.00 -1.27 0.00 0.00 60.65 59.74 3kk7 h LYS 441 Cb 0.30 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3kk7 h LYS 441 CO -0.00 0.48 0.55 0.00 -2.27 0.00 0.00 179.45 178.21 3kk7 h ALA 442 N 1.38 2.64 0.00 5.00 0.00 -0.94 0.65 119.26 127.99 3kk7 h ALA 442 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3kk7 h ALA 442 Cb 0.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kk7 h ALA 442 CO -0.20 -0.93 0.11 -0.91 0.00 0.00 0.00 179.25 177.33 3kk7 h ASN 443 N 0.00 0.00 -0.12 0.00 2.35 -1.34 -1.51 115.58 114.96 3kk7 h ASN 443 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 3kk7 h ASN 443 Cb 1.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.82 3kk7 h ASN 443 CO -0.00 0.00 0.00 -1.20 -1.65 0.00 0.00 177.43 174.58 3kk7 n SER 444 N -2.98 3.07 -4.65 5.81 7.64 0.22 -4.08 113.62 118.65 3kk7 n SER 444 Ca -0.03 -1.99 -0.43 0.00 1.01 0.00 0.00 58.87 57.44 3kk7 n SER 444 Cb 0.17 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.29 3kk7 n SER 444 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3kk7 s ILE 445 N -1.88 4.15 0.21 0.44 1.01 -0.57 -4.95 121.20 119.61 3kk7 s ILE 445 Ca 0.31 1.37 -0.12 0.00 0.00 0.00 0.00 60.65 62.21 3kk7 s ILE 445 Cb 0.21 -3.95 0.20 0.00 0.01 0.00 0.00 42.46 38.93 3kk7 s ILE 445 CO 0.31 -0.19 1.65 -0.65 0.00 0.00 0.00 174.94 176.05 3kk7 h PRO 446 N 8.67 0.06 -1.00 2.79 0.11 -1.86 -0.35 132.00 140.41 3kk7 h PRO 446 Ca -0.28 -0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.04 3kk7 h PRO 446 Cb 1.11 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.10 3kk7 h PRO 446 CO 0.98 0.04 0.61 0.00 -0.21 0.00 0.00 178.00 179.41 3kk7 h ALA 447 N 1.57 1.74 0.12 -0.75 0.00 -1.94 -0.02 119.26 119.99 3kk7 h ALA 447 Ca 0.30 0.10 -0.25 0.00 0.00 0.00 0.00 54.91 55.06 3kk7 h ALA 447 Cb 0.48 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.26 3kk7 h ALA 447 CO -0.56 -0.16 -1.06 1.15 0.00 0.00 0.00 179.25 178.61 3kk7 h THR 448 N 0.67 1.36 -0.04 0.00 2.02 -1.40 -2.44 112.91 113.08 3kk7 h THR 448 Ca 0.61 -2.44 0.02 0.00 0.77 0.00 0.00 66.41 65.38 3kk7 h THR 448 Cb 1.06 2.84 -0.03 0.00 -1.74 0.00 0.00 68.15 70.28 3kk7 h THR 448 CO -0.42 0.72 -0.11 0.15 0.37 0.00 0.00 175.52 176.23 3kk7 h PHE 449 N 0.05 -0.29 -0.60 3.16 3.57 0.11 -0.16 116.94 122.77 3kk7 h PHE 449 Ca -0.17 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.31 3kk7 h PHE 449 Cb 1.78 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 40.63 3kk7 h PHE 449 CO 0.14 -0.17 0.23 1.25 -2.23 0.00 0.00 178.31 177.53 3kk7 h LEU 450 N -0.18 0.83 -0.21 0.59 5.85 -1.15 -0.28 115.31 120.77 3kk7 h LEU 450 Ca 0.05 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3kk7 h LEU 450 Cb 0.25 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3kk7 h LEU 450 CO -0.14 0.78 0.09 0.74 -0.34 0.00 0.00 178.44 179.57 3kk7 h THR 451 N 0.83 0.98 -0.37 1.05 2.02 -0.95 0.17 112.91 116.64 3kk7 h THR 451 Ca 0.20 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 67.22 3kk7 h THR 451 Cb 0.22 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3kk7 h THR 451 CO -0.01 0.04 -0.13 0.11 0.37 0.00 0.00 175.52 175.89 3kk7 h LYS 452 N 0.20 0.66 0.33 6.66 1.79 -0.92 -1.28 116.57 124.01 3kk7 h LYS 452 Ca 0.09 -0.21 -0.02 0.00 -2.18 0.00 0.00 60.65 58.32 3kk7 h LYS 452 Cb 0.03 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 3kk7 h LYS 452 CO -0.07 0.77 -0.16 0.77 -1.08 0.00 0.00 179.45 179.68 3kk7 h SER 453 N 0.60 -0.38 -0.91 0.86 0.02 -0.62 -0.93 113.55 112.19 3kk7 h SER 453 Ca 0.10 -0.14 0.26 0.00 -0.84 0.00 0.00 61.79 61.17 3kk7 h SER 453 Cb 0.57 0.10 -0.15 0.00 0.14 0.00 0.00 62.40 63.07 3kk7 h SER 453 CO 0.04 -0.06 0.31 0.78 -1.14 0.00 0.00 176.83 176.76 3kk7 h ASN 454 N -0.72 0.11 -0.45 3.07 2.35 -0.59 0.16 115.58 119.51 3kk7 h ASN 454 Ca -0.05 0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 3kk7 h ASN 454 Cb 0.49 0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 3kk7 h ASN 454 CO 0.08 -0.16 0.24 0.00 -1.65 0.00 0.00 177.43 175.94 3kk7 h ALA 455 N 1.81 0.58 -0.53 -0.83 0.00 -0.84 -1.36 119.26 118.08 3kk7 h ALA 455 Ca 0.60 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.37 3kk7 h ALA 455 Cb 1.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3kk7 h ALA 455 CO -0.65 0.11 0.13 0.82 0.00 0.00 0.00 179.25 179.65 3kk7 h ILE 456 N 0.59 1.24 -0.68 0.00 2.04 0.45 -2.14 117.51 119.01 3kk7 h ILE 456 Ca 0.16 -0.87 0.05 0.00 1.00 0.00 0.00 64.86 65.20 3kk7 h ILE 456 Cb 0.06 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 3kk7 h ILE 456 CO -0.02 0.32 0.39 0.50 0.00 0.00 0.00 178.15 179.33 3kk7 h LYS 457 N 0.75 0.70 -0.48 2.37 3.11 -0.55 -1.08 116.57 121.39 3kk7 h LYS 457 Ca 0.17 -0.04 -0.05 0.00 -2.81 0.00 0.00 60.65 57.92 3kk7 h LYS 457 Cb 0.34 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.39 3kk7 h LYS 457 CO 0.00 0.46 0.10 -0.44 -2.81 0.00 0.00 179.45 176.77 3kk7 h ASP 458 N 0.72 0.67 -0.04 4.20 3.32 -0.95 0.34 116.42 124.68 3kk7 h ASP 458 Ca 0.30 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3kk7 h ASP 458 Cb 0.16 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3kk7 h ASP 458 CO -0.17 0.68 -0.07 -0.08 -1.72 0.00 0.00 179.24 177.87 3kk7 h GLU 459 N 0.70 0.11 0.00 3.56 4.57 -1.00 -3.32 114.58 119.20 3kk7 h GLU 459 Ca 0.16 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.21 3kk7 h GLU 459 Cb 0.28 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3kk7 h GLU 459 CO -0.00 0.65 -0.27 0.87 -1.18 0.00 0.00 179.01 179.08 3kk7 h LYS 460 N -0.41 0.00 0.00 1.92 1.79 -1.02 -2.99 116.57 115.86 3kk7 h LYS 460 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3kk7 h LYS 460 Cb 0.65 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 3kk7 h LYS 460 CO 0.02 0.27 -0.00 0.66 -1.08 0.00 0.00 179.45 179.31 3kk7 h SER 461 N 0.00 0.00 0.58 0.86 4.64 -0.42 0.17 113.55 119.38 3kk7 h SER 461 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3kk7 h SER 461 Cb 0.92 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 3kk7 h SER 461 CO 0.03 0.00 -0.17 0.11 -0.87 0.00 0.00 176.83 175.94 3kk7 h LYS 462 N 0.00 0.00 0.00 4.77 1.57 -1.66 -3.32 116.57 117.93 3kk7 h LYS 462 Ca -0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 3kk7 h LYS 462 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3kk7 h LYS 462 CO 0.00 0.17 -1.44 0.66 -0.57 0.00 0.00 179.45 178.27 3kk7 n TYR 463 N -3.55 0.00 -3.93 -1.35 4.01 -0.78 -4.89 117.16 106.68 3kk7 n TYR 463 Ca -0.01 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.38 3kk7 n TYR 463 Cb 0.32 -0.31 -0.14 0.00 -0.31 0.00 0.00 39.34 38.90 3kk7 n TYR 463 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3kk7 s TYR 464 N -2.16 3.02 -0.92 -0.72 1.51 0.54 -4.27 117.35 114.35 3kk7 s TYR 464 Ca -0.07 -1.28 0.17 0.00 -1.01 0.00 0.00 57.07 54.88 3kk7 s TYR 464 Cb 0.02 -2.09 0.76 0.00 -0.11 0.00 0.00 41.96 40.54 3kk7 s TYR 464 CO 0.22 -0.65 1.67 1.04 -1.11 0.00 0.00 175.55 176.71 3kk7 n GLN 465 N 4.73 4.07 -1.69 -0.62 6.02 -0.45 -4.32 117.38 125.13 3kk7 n GLN 465 Ca -0.17 -2.97 -0.30 0.00 -0.01 0.00 0.00 57.00 53.56 3kk7 n GLN 465 Cb 0.49 -2.00 0.18 0.00 1.02 0.00 0.00 30.24 29.92 3kk7 n GLN 465 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 3kk7 s LEU 466 N -2.08 2.16 0.20 1.08 0.05 -1.24 -1.16 118.68 117.69 3kk7 s LEU 466 Ca 0.53 0.48 -0.31 0.00 0.05 0.00 0.00 54.13 54.88 3kk7 s LEU 466 Cb 0.36 -2.53 -0.10 0.00 -2.05 0.00 0.00 46.19 41.87 3kk7 s LEU 466 CO 0.23 -2.95 1.47 -0.75 -0.55 0.00 0.00 176.35 173.80 3kk7 s LYS 467 N -5.68 4.26 -0.11 1.48 2.20 -1.26 -4.45 119.74 116.18 3kk7 s LYS 467 Ca 0.71 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 58.60 3kk7 s LYS 467 Cb -0.07 -3.15 0.02 0.00 -1.51 0.00 0.00 37.83 33.12 3kk7 s LYS 467 CO 0.53 -0.48 -0.10 0.42 -0.36 0.00 0.00 175.35 175.37 3kk7 s ILE 468 N 0.53 1.18 0.17 5.43 1.01 -0.20 -0.89 121.20 128.43 3kk7 s ILE 468 Ca 0.63 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.91 3kk7 s ILE 468 Cb -0.42 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.86 3kk7 s ILE 468 CO 0.37 0.39 -0.07 -1.59 0.00 0.00 0.00 174.94 174.04 3kk7 s LYS 469 N 1.46 1.12 0.05 2.79 -2.85 -0.27 0.30 119.74 122.34 3kk7 s LYS 469 Ca 0.01 -1.51 0.04 0.00 -1.00 0.00 0.00 55.97 53.51 3kk7 s LYS 469 Cb -0.13 -0.59 -0.03 0.00 -2.06 0.00 0.00 37.83 35.02 3kk7 s LYS 469 CO -0.06 0.02 -0.11 0.00 0.10 0.00 0.00 175.35 175.29 3kk7 s ALA 470 N -3.38 0.89 -0.25 0.59 0.00 0.11 -0.39 121.76 119.33 3kk7 s ALA 470 Ca 0.20 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 3kk7 s ALA 470 Cb 0.04 -0.04 0.14 0.00 0.00 0.00 0.00 23.12 23.25 3kk7 s ALA 470 CO 0.03 0.09 0.41 0.34 0.00 0.00 0.00 175.76 176.63 3kk7 s ASP 471 N -1.55 -0.02 0.02 0.00 -1.08 -0.67 -0.69 116.67 112.67 3kk7 s ASP 471 Ca -0.05 0.32 0.23 0.00 -0.52 0.00 0.00 52.55 52.53 3kk7 s ASP 471 Cb -0.09 1.29 0.96 0.00 -1.46 0.00 0.00 42.92 43.61 3kk7 s ASP 471 CO 0.01 -0.29 1.73 -0.81 0.52 0.00 0.00 175.17 176.32 3kk7 n PRO 472 N 5.37 0.02 -0.39 4.34 -0.04 -1.26 -2.75 135.00 140.30 3kk7 n PRO 472 Ca -0.03 0.13 0.10 0.00 -0.04 0.00 0.00 63.50 63.66 3kk7 n PRO 472 Cb 0.50 -1.53 0.30 0.00 -0.04 0.00 0.00 33.50 32.73 3kk7 n PRO 472 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kk7 n ASN 473 N -1.58 3.69 -4.58 3.54 3.02 -1.26 -4.85 115.26 113.25 3kk7 n ASN 473 Ca 0.05 -2.10 -0.34 0.00 -0.03 0.00 0.00 54.58 52.17 3kk7 n ASN 473 Cb 0.27 -0.46 -0.11 0.00 -0.61 0.00 0.00 39.78 38.87 3kk7 n ASN 473 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3kk7 s LYS 474 N -1.30 3.09 0.26 3.52 1.02 -1.11 -5.08 119.74 120.15 3kk7 s LYS 474 Ca 0.44 -0.51 0.11 0.00 0.02 0.00 0.00 55.97 56.03 3kk7 s LYS 474 Cb 0.24 -2.73 -0.05 0.00 -0.52 0.00 0.00 37.83 34.78 3kk7 s LYS 474 CO 0.28 0.54 -0.10 0.95 -0.92 0.00 0.00 175.35 176.10 3kk7 s THR 475 N -0.46 3.01 0.02 2.17 -4.23 -1.26 -1.40 115.64 113.50 3kk7 s THR 475 Ca 0.07 -2.10 0.24 0.00 -1.18 0.00 0.00 61.69 58.72 3kk7 s THR 475 Cb -0.12 -2.58 0.24 0.00 1.34 0.00 0.00 72.50 71.37 3kk7 s THR 475 CO 0.02 -0.36 1.76 0.16 -0.54 0.00 0.00 174.62 175.67 3kk7 h ILE 476 N 2.14 0.47 -2.87 2.99 3.07 -1.49 -3.26 117.51 118.56 3kk7 h ILE 476 Ca -0.43 -1.20 -0.71 0.00 1.55 0.00 0.00 64.86 64.07 3kk7 h ILE 476 Cb 1.25 1.86 -0.35 0.00 -0.27 0.00 0.00 36.82 39.31 3kk7 h ILE 476 CO 0.59 0.21 0.07 0.59 -1.05 0.00 0.00 178.15 178.56 3kk7 n ASN 477 N -3.30 4.85 -4.79 2.16 4.13 -1.26 -5.05 115.26 112.01 3kk7 n ASN 477 Ca 0.01 -3.31 -0.34 0.00 1.68 0.00 0.00 54.58 52.62 3kk7 n ASN 477 Cb 0.47 -1.02 0.00 0.00 -1.54 0.00 0.00 39.78 37.69 3kk7 n ASN 477 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3kk7 s PRO 478 N -2.16 3.35 0.13 3.52 0.04 -1.23 -4.95 135.00 133.69 3kk7 s PRO 478 Ca 0.32 1.38 -0.31 0.00 0.04 0.00 0.00 61.00 62.43 3kk7 s PRO 478 Cb 0.03 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 3kk7 s PRO 478 CO -0.02 -0.81 1.57 0.82 0.04 0.00 0.00 177.00 178.60 3kk7 h ILE 479 N 0.82 0.07 -3.05 0.56 2.04 -1.99 -3.26 117.51 112.71 3kk7 h ILE 479 Ca -0.48 0.00 -0.73 0.00 1.00 0.00 0.00 64.86 64.65 3kk7 h ILE 479 Cb 1.24 0.07 -0.21 0.00 -0.74 0.00 0.00 36.82 37.17 3kk7 h ILE 479 CO 0.57 0.00 -0.06 -0.63 0.00 0.00 0.00 178.15 178.03 3kk7 s ILE 480 N -5.80 5.01 -0.37 -0.67 1.01 -1.26 -5.05 121.20 114.08 3kk7 s ILE 480 Ca -0.15 -1.14 -0.22 0.00 0.00 0.00 0.00 60.65 59.14 3kk7 s ILE 480 Cb 0.09 -4.38 0.01 0.00 0.01 0.00 0.00 42.46 38.19 3kk7 s ILE 480 CO 0.63 -0.94 0.71 -1.58 0.00 0.00 0.00 174.94 173.76 3kk7 s GLN 481 N 2.16 3.68 0.00 2.79 2.00 -1.23 -4.95 119.66 124.12 3kk7 s GLN 481 Ca 0.08 0.15 0.23 0.00 -2.00 0.00 0.00 55.36 53.81 3kk7 s GLN 481 Cb -0.26 -3.82 0.03 0.00 0.80 0.00 0.00 33.01 29.77 3kk7 s GLN 481 CO 0.06 -0.82 1.12 0.25 -0.50 0.00 0.00 175.29 175.40 3kk7 n THR 482 N 5.71 0.00 -4.07 -0.34 -2.24 -1.26 -5.01 114.28 107.08 3kk7 n THR 482 Ca 0.01 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.43 3kk7 n THR 482 Cb 0.48 1.21 -0.06 0.00 -2.10 0.00 0.00 70.33 69.86 3kk7 n THR 482 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3kk7 s THR 483 N -2.48 0.00 0.10 4.28 -1.32 -1.26 -4.93 115.64 110.03 3kk7 s THR 483 Ca 0.19 -1.59 -0.28 0.00 -1.21 0.00 0.00 61.69 58.79 3kk7 s THR 483 Cb 0.18 -2.35 -0.06 0.00 -1.51 0.00 0.00 72.50 68.76 3kk7 s THR 483 CO 0.57 0.00 0.89 -0.76 -2.21 0.00 0.00 174.62 173.11 3kk7 s LEU 484 N -3.09 4.50 0.08 9.08 1.43 -1.26 -4.98 118.68 124.44 3kk7 s LEU 484 Ca 0.28 1.69 0.06 0.00 -1.03 0.00 0.00 54.13 55.13 3kk7 s LEU 484 Cb 0.01 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 3kk7 s LEU 484 CO 0.12 -0.01 -0.17 -0.94 0.23 0.00 0.00 176.35 175.57 3kk7 s SER 485 N -0.14 2.00 -0.04 2.29 1.04 -1.26 -0.99 113.70 116.61 3kk7 s SER 485 Ca 0.43 -0.63 -0.03 0.00 0.48 0.00 0.00 55.95 56.20 3kk7 s SER 485 Cb -0.23 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 65.82 3kk7 s SER 485 CO 0.28 -0.02 0.10 -0.36 0.98 0.00 0.00 173.24 174.22 3kk7 s PHE 486 N -1.21 -0.11 -0.09 5.02 0.40 0.65 -4.94 117.98 117.70 3kk7 s PHE 486 Ca 0.01 0.28 -0.15 0.00 -0.60 0.00 0.00 56.93 56.47 3kk7 s PHE 486 Cb -0.10 0.01 -0.05 0.00 0.51 0.00 0.00 43.02 43.39 3kk7 s PHE 486 CO 0.03 -0.07 0.39 -0.65 0.70 0.00 0.00 175.22 175.62 3kk7 s GLN 487 N 0.23 4.15 -0.25 0.44 -0.21 -1.26 0.34 119.66 123.10 3kk7 s GLN 487 Ca -0.01 0.31 -0.01 0.00 0.02 0.00 0.00 55.36 55.66 3kk7 s GLN 487 Cb -0.03 -3.36 0.07 0.00 1.00 0.00 0.00 33.01 30.70 3kk7 s GLN 487 CO -0.01 0.37 0.03 0.42 -2.12 0.00 0.00 175.29 173.98 3kk7 s ILE 488 N -0.01 0.97 0.46 1.08 1.01 -0.34 -4.94 121.20 119.44 3kk7 s ILE 488 Ca 0.22 -1.08 -0.24 0.00 0.00 0.00 0.00 60.65 59.56 3kk7 s ILE 488 Cb -0.15 -1.50 -0.07 0.00 0.01 0.00 0.00 42.46 40.75 3kk7 s ILE 488 CO 0.09 -0.35 1.24 0.20 0.00 0.00 0.00 174.94 176.13 3kk7 s ASN 489 N 1.62 6.04 -1.52 3.58 0.01 -1.26 -2.14 114.94 121.26 3kk7 s ASN 489 Ca 0.02 2.50 -0.09 0.00 -0.71 0.00 0.00 52.86 54.58 3kk7 s ASN 489 Cb -0.18 -2.62 0.07 0.00 0.41 0.00 0.00 41.25 38.93 3kk7 s ASN 489 CO -0.13 -1.02 0.66 0.59 -1.51 0.00 0.00 177.10 175.68 3kk7 n ASN 490 N -0.40 -2.14 -4.71 -1.22 3.02 -1.01 -4.91 115.26 103.89 3kk7 n ASN 490 Ca 0.07 -0.96 -0.42 0.00 -0.03 0.00 0.00 54.58 53.24 3kk7 n ASN 490 Cb 0.46 -3.16 -0.03 0.00 -0.61 0.00 0.00 39.78 36.44 3kk7 n ASN 490 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kk7 s VAL 491 N -3.60 2.49 -0.23 2.41 1.01 -1.25 -4.80 120.40 116.42 3kk7 s VAL 491 Ca 0.36 0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 3kk7 s VAL 491 Cb -0.19 -3.16 0.12 0.00 0.00 0.00 0.00 36.38 33.15 3kk7 s VAL 491 CO 0.89 0.01 0.37 -0.62 0.00 0.00 0.00 175.10 175.75 3kk7 s ASP 492 N 1.66 0.22 0.54 3.32 2.15 -1.26 -5.04 116.67 118.25 3kk7 s ASP 492 Ca 0.74 0.35 0.32 0.00 0.43 0.00 0.00 52.55 54.39 3kk7 s ASP 492 Cb -0.45 1.10 1.47 0.00 -0.30 0.00 0.00 42.92 44.74 3kk7 s ASP 492 CO 0.33 -0.29 2.04 -0.33 -0.17 0.00 0.00 175.17 176.75 3kk7 h GLU 493 N 8.19 0.00 -0.11 4.34 3.07 -2.00 -2.73 114.58 125.33 3kk7 h GLU 493 Ca -0.19 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.57 3kk7 h GLU 493 Cb 1.15 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 3kk7 h GLU 493 CO 0.24 0.07 -0.39 0.87 -1.40 0.00 0.00 179.01 178.40 3kk7 h LYS 494 N 0.00 0.24 -4.01 2.33 1.57 -2.01 -3.49 116.57 111.20 3kk7 h LYS 494 Ca -0.00 -0.11 -0.75 0.00 -1.87 0.00 0.00 60.65 57.92 3kk7 h LYS 494 Cb 0.43 -0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.57 3kk7 h LYS 494 CO 0.01 0.60 1.71 0.41 -0.57 0.00 0.00 179.45 181.61 3kk7 n GLY 495 N -0.23 4.19 3.76 3.86 0.00 -1.03 -5.11 105.19 110.63 3kk7 n GLY 495 Ca -0.01 -2.08 -0.02 0.00 0.00 0.00 0.00 46.02 43.91 3kk7 n GLY 495 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kk7 s TYR 497 N 0.78 -0.05 0.04 1.61 2.02 -0.45 -4.13 117.35 117.18 3kk7 s TYR 497 Ca 0.41 -0.21 -0.13 0.00 -0.37 0.00 0.00 57.07 56.77 3kk7 s TYR 497 Cb 0.04 0.62 0.02 0.00 -0.40 0.00 0.00 41.96 42.24 3kk7 s TYR 497 CO 0.01 -0.66 0.27 -1.59 -1.57 0.00 0.00 175.55 172.01 3kk7 s LYS 498 N -2.71 0.77 0.06 -0.62 -2.85 -0.47 -1.22 119.74 112.70 3kk7 s LYS 498 Ca 0.16 -0.53 -0.23 0.00 -1.00 0.00 0.00 55.97 54.37 3kk7 s LYS 498 Cb 0.00 0.33 0.06 0.00 -2.06 0.00 0.00 37.83 36.16 3kk7 s LYS 498 CO 0.01 -0.24 0.55 -0.59 0.10 0.00 0.00 175.35 175.18 3kk7 s PHE 499 N -2.52 -0.47 -0.21 1.78 -0.71 -0.69 -0.97 117.98 114.18 3kk7 s PHE 499 Ca -0.05 0.51 -0.07 0.00 -1.04 0.00 0.00 56.93 56.28 3kk7 s PHE 499 Cb -0.01 0.39 -0.03 0.00 -1.21 0.00 0.00 43.02 42.15 3kk7 s PHE 499 CO -0.03 -0.68 0.05 0.21 -1.34 0.00 0.00 175.22 173.43 3kk7 s LYS 500 N -2.56 3.76 -0.28 1.99 2.20 -1.26 -0.32 119.74 123.26 3kk7 s LYS 500 Ca -0.05 -0.44 -0.29 0.00 -0.36 0.00 0.00 55.97 54.83 3kk7 s LYS 500 Cb -0.01 -3.21 -0.01 0.00 -1.51 0.00 0.00 37.83 33.10 3kk7 s LYS 500 CO -0.03 0.04 1.44 1.21 -0.36 0.00 0.00 175.35 177.66 3kk7 s ASN 501 N 0.97 6.52 0.18 1.43 3.84 -0.27 -4.90 114.94 122.71 3kk7 s ASN 501 Ca 0.03 1.34 0.26 0.00 0.21 0.00 0.00 52.86 54.69 3kk7 s ASN 501 Cb -0.14 -2.54 0.90 0.00 -0.55 0.00 0.00 41.25 38.92 3kk7 s ASN 501 CO 0.03 -1.19 1.77 0.00 -2.79 0.00 0.00 177.10 174.92 3kk7 n ALA 502 N 8.09 2.14 -0.05 1.71 0.00 -1.26 -0.28 120.51 130.86 3kk7 n ALA 502 Ca 0.17 -0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.43 3kk7 n ALA 502 Cb 0.46 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 3kk7 n ALA 502 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3kk7 h ASN 503 N 0.00 0.91 0.00 0.00 2.35 -1.92 -3.37 115.58 113.55 3kk7 h ASN 503 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 56.30 55.16 3kk7 h ASN 503 Cb 0.61 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3kk7 h ASN 503 CO 0.00 1.33 -1.53 0.35 -1.65 0.00 0.00 177.43 175.94 3kk7 n THR 504 N -4.03 0.00 -3.37 2.81 -2.24 -1.11 -5.00 114.28 101.35 3kk7 n THR 504 Ca -0.06 -0.32 -0.21 0.00 -2.27 0.00 0.00 64.05 61.19 3kk7 n THR 504 Cb 0.67 0.33 0.06 0.00 -2.10 0.00 0.00 70.33 69.29 3kk7 n THR 504 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3kk7 n ASN 505 N -1.91 -5.92 -4.55 3.42 3.02 0.61 -4.90 115.26 105.03 3kk7 n ASN 505 Ca -0.02 -0.44 -0.34 0.00 -0.03 0.00 0.00 54.58 53.76 3kk7 n ASN 505 Cb 0.39 -4.58 -0.11 0.00 -0.61 0.00 0.00 39.78 34.87 3kk7 n ASN 505 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kk7 s ILE 506 N -3.25 4.18 0.03 2.41 1.01 -1.20 -0.48 121.20 123.89 3kk7 s ILE 506 Ca 0.47 -0.26 -0.25 0.00 0.00 0.00 0.00 60.65 60.62 3kk7 s ILE 506 Cb -0.21 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.37 3kk7 s ILE 506 CO 0.59 0.50 0.75 0.26 0.00 0.00 0.00 174.94 177.03 3kk7 s TRP 507 N 0.24 3.71 -0.26 3.97 0.52 -0.04 -1.11 118.94 125.96 3kk7 s TRP 507 Ca -0.01 1.43 -0.00 0.00 0.02 0.00 0.00 56.10 57.54 3kk7 s TRP 507 Cb -0.13 -2.81 0.04 0.00 -1.15 0.00 0.00 33.47 29.42 3kk7 s TRP 507 CO 0.02 0.25 -0.06 0.71 0.02 0.00 0.00 176.95 177.89 3kk7 s TYR 508 N 0.05 3.15 -0.42 -1.98 2.02 0.56 -1.42 117.35 119.31 3kk7 s TYR 508 Ca 0.38 -1.84 -0.12 0.00 -0.37 0.00 0.00 57.07 55.12 3kk7 s TYR 508 Cb -0.20 -2.03 0.06 0.00 -0.40 0.00 0.00 41.96 39.38 3kk7 s TYR 508 CO 0.22 -0.79 0.29 0.42 -1.57 0.00 0.00 175.55 174.12 3kk7 s ILE 509 N 1.25 4.74 0.17 2.71 1.01 0.27 -1.71 121.20 129.64 3kk7 s ILE 509 Ca -0.03 -1.08 0.11 0.00 0.00 0.00 0.00 60.65 59.64 3kk7 s ILE 509 Cb -0.18 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 3kk7 s ILE 509 CO -0.04 -0.44 -0.24 -0.72 0.00 0.00 0.00 174.94 173.50 3kk7 s TYR 510 N 1.55 2.21 -0.33 3.97 1.13 -0.36 -0.58 117.35 124.94 3kk7 s TYR 510 Ca 0.03 -0.38 -0.04 0.00 -1.41 0.00 0.00 57.07 55.27 3kk7 s TYR 510 Cb -0.22 -1.13 0.05 0.00 -1.10 0.00 0.00 41.96 39.56 3kk7 s TYR 510 CO 0.05 0.42 0.08 1.21 -2.51 0.00 0.00 175.55 174.80 3kk7 s ASN 511 N -2.46 5.16 0.00 -0.18 3.84 -0.65 -1.34 114.94 119.31 3kk7 s ASN 511 Ca 0.17 -1.28 0.13 0.00 0.21 0.00 0.00 52.86 52.09 3kk7 s ASN 511 Cb -0.08 -1.81 0.75 0.00 -0.55 0.00 0.00 41.25 39.56 3kk7 s ASN 511 CO 0.08 -0.33 1.45 -0.81 -2.79 0.00 0.00 177.10 174.70 3kk7 n PRO 512 N 4.73 0.95 -0.13 0.43 -0.04 -1.26 -3.22 135.00 136.45 3kk7 n PRO 512 Ca -0.12 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.07 3kk7 n PRO 512 Cb 0.44 -1.21 -0.11 0.00 -0.04 0.00 0.00 33.50 32.58 3kk7 n PRO 512 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3kk7 n THR 513 N -0.71 1.53 0.00 0.52 -1.04 -1.26 -5.08 114.28 108.24 3kk7 n THR 513 Ca 0.09 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 3kk7 n THR 513 Cb 0.04 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 66.76 3kk7 n THR 513 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3kk7 n SER 514 N -4.06 0.00 0.00 8.00 7.64 -1.20 -5.17 113.62 118.83 3kk7 n SER 514 Ca -0.52 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.37 3kk7 n SER 514 Cb 0.90 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 3kk7 n SER 514 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kk7 n TYR 516 N -1.04 0.00 -3.66 1.43 0.18 -1.23 -4.93 117.16 107.91 3kk7 n TYR 516 Ca 0.00 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.64 3kk7 n TYR 516 Cb 0.00 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 38.88 3kk7 n TYR 516 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3kk7 s PHE 518 N 0.11 2.98 0.09 0.00 0.08 0.26 -0.54 117.98 120.96 3kk7 s PHE 518 Ca -0.02 -0.20 0.10 0.00 0.12 0.00 0.00 56.93 56.93 3kk7 s PHE 518 Cb -0.04 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.52 3kk7 s PHE 518 CO 0.02 0.10 -0.26 0.00 -0.10 0.00 0.00 175.22 174.98 3kk7 s ALA 519 N -0.10 2.23 -0.24 5.36 0.00 0.90 -0.56 121.76 129.34 3kk7 s ALA 519 Ca 0.01 -1.34 -0.26 0.00 0.00 0.00 0.00 51.96 50.38 3kk7 s ALA 519 Cb -0.13 -0.40 0.07 0.00 0.00 0.00 0.00 23.12 22.66 3kk7 s ALA 519 CO 0.03 0.51 0.71 1.52 0.00 0.00 0.00 175.76 178.53 3kk7 s TYR 520 N -0.95 -0.77 0.27 0.00 1.13 -0.50 -1.54 117.35 114.98 3kk7 s TYR 520 Ca 0.12 1.84 -0.30 0.00 -1.41 0.00 0.00 57.07 57.31 3kk7 s TYR 520 Cb -0.10 0.28 -0.13 0.00 -1.10 0.00 0.00 41.96 40.91 3kk7 s TYR 520 CO 0.04 -0.40 1.34 0.98 -2.51 0.00 0.00 175.55 174.99 3kk7 n TYR 521 N 2.50 2.10 -2.07 -3.49 9.36 -1.26 -0.86 117.16 123.42 3kk7 n TYR 521 Ca -0.15 0.49 -0.36 0.00 3.32 0.00 0.00 57.90 61.21 3kk7 n TYR 521 Cb 0.55 -2.43 -0.04 0.00 -0.63 0.00 0.00 39.34 36.80 3kk7 n TYR 521 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3kk7 n ASP 522 N 1.72 3.62 -3.70 2.98 2.03 0.37 -4.80 116.55 118.78 3kk7 n ASP 522 Ca 0.10 -2.77 -0.22 0.00 0.52 0.00 0.00 54.79 52.41 3kk7 n ASP 522 Cb 0.32 -1.65 -0.18 0.00 -0.72 0.00 0.00 41.12 38.89 3kk7 n ASP 522 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3kk7 s ASP 523 N 5.37 1.52 0.63 1.67 -1.08 -1.26 -5.04 116.67 118.48 3kk7 s ASP 523 Ca 0.61 -0.10 0.26 0.00 -0.52 0.00 0.00 52.55 52.80 3kk7 s ASP 523 Cb 0.04 -0.27 1.32 0.00 -1.46 0.00 0.00 42.92 42.55 3kk7 s ASP 523 CO 0.10 -0.25 1.75 0.44 0.52 0.00 0.00 175.17 177.73 3kk7 h ASP 524 N 8.39 0.00 0.10 -0.34 3.32 -2.02 -1.67 116.42 124.20 3kk7 h ASP 524 Ca -0.15 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 3kk7 h ASP 524 Cb 1.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 3kk7 h ASP 524 CO 0.21 0.00 -0.09 0.10 -1.72 0.00 0.00 179.24 177.74 3kk7 h TYR 525 N 0.00 0.00 0.80 4.55 -0.00 -1.96 -2.17 116.97 118.19 3kk7 h TYR 525 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.82 3kk7 h TYR 525 Cb 1.24 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.97 3kk7 h TYR 525 CO 0.00 0.09 -0.38 0.82 -0.00 0.00 0.00 178.16 178.69 3kk7 h ILE 526 N 0.00 0.00 -1.01 -0.90 2.04 -1.63 -0.95 117.51 115.06 3kk7 h ILE 526 Ca -0.00 -0.21 0.15 0.00 1.00 0.00 0.00 64.86 65.79 3kk7 h ILE 526 Cb 0.16 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.15 3kk7 h ILE 526 CO 0.01 0.00 0.63 1.55 0.00 0.00 0.00 178.15 180.34 3kk7 h PRO 527 N -1.28 0.88 -0.69 2.37 0.13 -1.72 0.18 132.00 131.88 3kk7 h PRO 527 Ca -0.11 -0.05 0.07 0.00 -0.87 0.00 0.00 66.00 65.03 3kk7 h PRO 527 Cb 0.82 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 31.71 3kk7 h PRO 527 CO 0.18 0.58 0.45 -0.44 -0.23 0.00 0.00 178.00 178.55 3kk7 h ASP 528 N 0.91 0.60 -0.74 1.44 3.32 -1.27 0.45 116.42 121.12 3kk7 h ASP 528 Ca 0.53 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.58 3kk7 h ASP 528 Cb 0.65 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.04 3kk7 h ASP 528 CO -0.31 0.39 0.46 0.00 -1.72 0.00 0.00 179.24 178.06 3kk7 h ALA 529 N 1.63 1.41 -0.00 3.45 0.00 0.47 -1.76 119.26 124.45 3kk7 h ALA 529 Ca 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kk7 h ALA 529 Cb 0.29 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kk7 h ALA 529 CO -0.10 0.52 -0.26 0.66 0.00 0.00 0.00 179.25 180.08 3kk7 n TYR 530 N -4.40 0.00 -2.99 0.00 4.02 -0.36 -4.45 117.16 108.99 3kk7 n TYR 530 Ca 0.08 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.79 3kk7 n TYR 530 Cb 0.06 -0.19 0.04 0.00 -0.02 0.00 0.00 39.34 39.23 3kk7 n TYR 530 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kk7 n GLY 531 N 1.37 -0.26 0.00 2.72 0.00 -0.01 -3.59 105.19 105.43 3kk7 n GLY 531 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3kk7 n GLY 531 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kk7 n ILE 532 N -4.31 0.48 -0.20 -0.61 -5.35 -0.29 -1.34 119.36 107.75 3kk7 n ILE 532 Ca -0.07 -0.71 -0.06 0.00 -0.27 0.00 0.00 62.75 61.64 3kk7 n ILE 532 Cb 0.58 0.79 0.03 0.00 -1.74 0.00 0.00 39.64 39.30 3kk7 n ILE 532 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3kk7 h LEU 533 N 0.00 0.65 -0.41 7.28 5.85 -1.87 0.93 115.31 127.74 3kk7 h LEU 533 Ca 0.00 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3kk7 h LEU 533 Cb 0.29 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3kk7 h LEU 533 CO 0.00 0.47 0.25 0.44 -0.34 0.00 0.00 178.44 179.27 3kk7 h ASP 534 N 0.77 0.42 0.43 1.25 3.32 -1.91 0.17 116.42 120.88 3kk7 h ASP 534 Ca 0.21 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 3kk7 h ASP 534 Cb -0.09 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.37 3kk7 h ASP 534 CO -0.05 0.30 -0.21 -0.25 -1.72 0.00 0.00 179.24 177.32 3kk7 h TRP 535 N 0.52 -0.53 -0.85 4.55 7.01 -1.55 -3.14 115.95 121.96 3kk7 h TRP 535 Ca 0.16 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.25 3kk7 h TRP 535 Cb -0.02 0.18 -0.08 0.00 -2.10 0.00 0.00 29.16 27.14 3kk7 h TRP 535 CO -0.06 -0.21 0.49 0.28 -2.79 0.00 0.00 178.44 176.15 3kk7 h VAL 536 N -0.92 0.90 -0.73 2.65 2.07 0.98 -1.93 116.25 119.27 3kk7 h VAL 536 Ca -0.06 -0.28 0.13 0.00 0.82 0.00 0.00 66.70 67.32 3kk7 h VAL 536 Cb 0.57 0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 30.27 3kk7 h VAL 536 CO 0.10 0.15 0.30 0.78 0.02 0.00 0.00 177.57 178.92 3kk7 h ASN 537 N 0.80 0.30 0.10 0.57 2.35 -0.67 -0.53 115.58 118.51 3kk7 h ASN 537 Ca 0.41 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 56.26 3kk7 h ASN 537 Cb 0.40 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3kk7 h ASN 537 CO -0.26 0.13 0.00 0.61 -1.65 0.00 0.00 177.43 176.27 3kk7 n GLY 538 N -1.32 -0.97 3.72 2.83 0.00 -0.74 -4.84 105.19 103.87 3kk7 n GLY 538 Ca 0.13 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3kk7 n GLY 538 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kk7 s ILE 539 N -2.10 3.44 0.45 -0.61 1.01 -0.21 -4.96 121.20 118.22 3kk7 s ILE 539 Ca 0.41 1.07 -0.24 0.00 0.00 0.00 0.00 60.65 61.89 3kk7 s ILE 539 Cb 0.20 -3.68 -0.08 0.00 0.01 0.00 0.00 42.46 38.91 3kk7 s ILE 539 CO 0.35 0.10 1.21 -2.16 0.00 0.00 0.00 174.94 174.44 3kk7 s PRO 540 N 0.84 3.79 -0.16 2.79 0.04 -1.26 -4.72 135.00 136.31 3kk7 s PRO 540 Ca 0.62 1.90 -0.26 0.00 0.04 0.00 0.00 61.00 63.29 3kk7 s PRO 540 Cb -0.35 -2.50 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 3kk7 s PRO 540 CO 0.32 -0.56 0.87 0.42 0.04 0.00 0.00 177.00 178.09 3kk7 s ILE 541 N -1.45 4.86 -0.20 0.56 1.01 -1.26 -1.37 121.20 123.36 3kk7 s ILE 541 Ca 0.62 1.73 -0.07 0.00 0.00 0.00 0.00 60.65 62.93 3kk7 s ILE 541 Cb -0.32 -4.18 0.09 0.00 0.01 0.00 0.00 42.46 38.06 3kk7 s ILE 541 CO 0.39 0.02 0.42 -0.75 0.00 0.00 0.00 174.94 175.01 3kk7 s LYS 542 N 2.14 0.33 0.46 2.79 2.20 -0.15 -4.88 119.74 122.63 3kk7 s LYS 542 Ca 0.40 1.02 -0.20 0.00 -0.36 0.00 0.00 55.97 56.83 3kk7 s LYS 542 Cb -0.17 0.30 -0.09 0.00 -1.51 0.00 0.00 37.83 36.36 3kk7 s LYS 542 CO 0.13 -0.24 0.99 0.00 -0.36 0.00 0.00 175.35 175.87 3kk7 s ALA 543 N 2.52 2.96 0.11 3.13 0.00 -1.26 -4.33 121.76 124.89 3kk7 s ALA 543 Ca -0.02 0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.44 3kk7 s ALA 543 Cb -0.12 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3kk7 s ALA 543 CO -0.13 -0.11 -0.10 0.08 0.00 0.00 0.00 175.76 175.50 3kk7 s VAL 544 N -2.14 1.01 0.00 0.00 1.01 -1.26 -5.09 120.40 113.93 3kk7 s VAL 544 Ca 0.64 -1.72 0.00 0.00 0.00 0.00 0.00 61.98 60.90 3kk7 s VAL 544 Cb -0.12 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.79 3kk7 s VAL 544 CO 0.18 -0.58 0.00 0.35 0.00 0.00 0.00 175.10 175.05 3kk7 n THR 545 N 0.42 0.00 0.00 3.92 -2.24 -1.26 -4.91 114.28 110.21 3kk7 n THR 545 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3kk7 n THR 545 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 3kk7 n THR 545 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3kk7 n THR 547 N 0.00 0.00 -0.35 4.28 -1.04 -1.26 -1.92 114.28 113.99 3kk7 n THR 547 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3kk7 n THR 547 Cb 0.00 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 68.64 3kk7 n THR 547 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3kk7 h THR 548 N 0.00 1.16 0.58 12.58 2.02 -1.98 -0.14 112.91 127.13 3kk7 h THR 548 Ca 0.00 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.74 3kk7 h THR 548 Cb 0.00 -0.15 0.01 0.00 -1.74 0.00 0.00 68.15 66.27 3kk7 h THR 548 CO 0.00 0.22 -0.28 0.25 0.37 0.00 0.00 175.52 176.08 3kk7 h LEU 549 N 1.20 -0.66 -0.35 2.58 5.85 -1.73 -1.39 115.31 120.81 3kk7 h LEU 549 Ca 0.38 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.12 3kk7 h LEU 549 Cb 0.01 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3kk7 h LEU 549 CO -0.12 -0.47 0.00 0.10 -0.34 0.00 0.00 178.44 177.61 3kk7 h TYR 550 N -0.78 0.00 0.00 1.25 -0.00 -1.76 -0.72 116.97 114.96 3kk7 h TYR 550 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 58.73 58.46 3kk7 h TYR 550 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.30 3kk7 h TYR 550 CO -0.03 0.00 -1.01 1.96 -0.00 0.00 0.00 178.16 179.07 3kk7 h GLN 551 N 0.00 0.00 0.00 0.10 4.20 -1.01 -3.40 115.11 115.00 3kk7 h GLN 551 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3kk7 h GLN 551 Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 3kk7 h GLN 551 CO 0.00 0.69 0.00 0.54 -0.67 0.00 0.00 178.83 179.39 3kk7 n ARG 552 N -3.21 0.48 -4.29 1.46 1.74 -0.53 -5.04 116.66 107.27 3kk7 n ARG 552 Ca -0.03 -0.38 -0.21 0.00 -0.77 0.00 0.00 57.85 56.46 3kk7 n ARG 552 Cb 0.88 -0.88 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 3kk7 n ARG 552 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3kk7 s TYR 553 N -0.18 1.67 -0.28 -1.55 1.51 -0.29 -4.85 117.35 113.39 3kk7 s TYR 553 Ca 0.00 -0.49 -0.15 0.00 -1.01 0.00 0.00 57.07 55.43 3kk7 s TYR 553 Cb 0.00 -0.86 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 3kk7 s TYR 553 CO 0.00 0.25 0.35 0.15 -1.11 0.00 0.00 175.55 175.19 3kk7 s LYS 554 N -2.61 3.97 -0.17 -0.62 -0.14 -1.26 -4.73 119.74 114.18 3kk7 s LYS 554 Ca 0.12 -0.04 -0.06 0.00 -1.36 0.00 0.00 55.97 54.63 3kk7 s LYS 554 Cb -0.06 -3.67 -0.04 0.00 -1.68 0.00 0.00 37.83 32.38 3kk7 s LYS 554 CO 0.05 -0.29 0.02 0.42 -0.76 0.00 0.00 175.35 174.79 3kk7 s ILE 555 N 2.04 4.43 -0.04 2.17 1.01 -1.26 -1.09 121.20 128.46 3kk7 s ILE 555 Ca 0.14 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.66 3kk7 s ILE 555 Cb -0.16 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.34 3kk7 s ILE 555 CO 0.10 0.48 -0.15 -0.31 0.00 0.00 0.00 174.94 175.06 3kk7 s TYR 556 N 0.28 1.59 -0.05 3.97 2.02 0.30 0.01 117.35 125.46 3kk7 s TYR 556 Ca 0.01 -0.47 -0.21 0.00 -0.37 0.00 0.00 57.07 56.03 3kk7 s TYR 556 Cb -0.13 -1.09 -0.05 0.00 -0.40 0.00 0.00 41.96 40.30 3kk7 s TYR 556 CO 0.01 -0.18 0.60 0.20 -1.57 0.00 0.00 175.55 174.62 3kk7 s GLY 557 N 0.15 2.56 0.00 0.71 0.00 -1.26 -0.07 107.32 109.42 3kk7 s GLY 557 Ca -0.06 0.01 0.28 0.00 0.00 0.00 0.00 44.72 44.96 3kk7 s GLY 557 CO 0.02 0.90 1.78 1.04 0.00 0.00 0.00 173.10 176.84