#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ji6 h ALA 65 N 0.00 -0.28 -0.41 -1.67 0.00 -1.93 -1.50 119.26 113.46 1ji6 h ALA 65 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ji6 h ALA 65 Cb 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1ji6 h ALA 65 CO 0.00 -0.66 0.26 0.28 0.00 0.00 0.00 179.25 179.13 1ji6 h VAL 66 N -0.29 1.09 -0.35 0.00 2.07 -1.95 -0.25 116.25 116.58 1ji6 h VAL 66 Ca -0.03 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1ji6 h VAL 66 Cb 0.22 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1ji6 h VAL 66 CO 0.04 0.10 0.21 1.23 0.02 0.00 0.00 177.57 179.17 1ji6 h GLY 67 N 0.54 0.50 0.45 2.17 0.00 -1.91 0.92 103.07 105.73 1ji6 h GLY 67 Ca 0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1ji6 h GLY 67 CO -0.04 0.19 -0.11 -0.84 0.00 0.00 0.00 176.54 175.74 1ji6 h THR 68 N 0.48 1.50 -0.35 4.70 2.02 -0.79 -1.53 112.91 118.94 1ji6 h THR 68 Ca 0.13 -1.63 0.08 0.00 0.77 0.00 0.00 66.41 65.75 1ji6 h THR 68 Cb -0.01 2.52 -0.08 0.00 -1.74 0.00 0.00 68.15 68.84 1ji6 h THR 68 CO -0.02 0.44 -0.20 1.23 0.37 0.00 0.00 175.52 177.34 1ji6 h GLY 69 N -0.50 0.03 1.33 2.16 0.00 -0.44 0.29 103.07 105.95 1ji6 h GLY 69 Ca -0.01 0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 1ji6 h GLY 69 CO 0.02 -0.19 0.42 -2.22 0.00 0.00 0.00 176.54 174.57 1ji6 h ILE 70 N -0.15 1.18 -0.22 2.60 2.04 -0.88 -0.98 117.51 121.10 1ji6 h ILE 70 Ca 0.18 -0.38 -0.19 0.00 1.00 0.00 0.00 64.86 65.47 1ji6 h ILE 70 Cb 0.42 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1ji6 h ILE 70 CO -0.44 0.19 -0.60 -1.28 0.00 0.00 0.00 178.15 176.01 1ji6 h SER 71 N 0.92 0.83 -0.13 1.72 0.87 0.33 -2.64 113.55 115.44 1ji6 h SER 71 Ca 0.24 -0.47 -0.02 0.00 -1.23 0.00 0.00 61.79 60.31 1ji6 h SER 71 Cb -0.06 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.66 1ji6 h SER 71 CO -0.05 1.24 0.00 0.58 -0.53 0.00 0.00 176.83 178.07 1ji6 h VAL 72 N 0.55 1.25 0.00 2.23 2.07 -0.09 -2.05 116.25 120.21 1ji6 h VAL 72 Ca -0.00 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1ji6 h VAL 72 Cb 1.19 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1ji6 h VAL 72 CO 0.12 0.24 -0.03 0.58 0.02 0.00 0.00 177.57 178.50 1ji6 h VAL 73 N -0.02 0.82 -0.01 2.57 2.07 -1.21 0.57 116.25 121.03 1ji6 h VAL 73 Ca 0.04 -0.12 -0.23 0.00 0.82 0.00 0.00 66.70 67.21 1ji6 h VAL 73 Cb 0.36 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1ji6 h VAL 73 CO 0.01 0.03 -0.93 1.23 0.02 0.00 0.00 177.57 177.93 1ji6 h GLY 74 N 0.13 0.52 0.73 2.17 0.00 -1.28 -2.27 103.07 103.08 1ji6 h GLY 74 Ca -0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 47.33 46.37 1ji6 h GLY 74 CO 0.00 0.79 -0.20 1.46 0.00 0.00 0.00 176.54 178.59 1ji6 h GLN 75 N 0.27 0.36 -0.47 4.80 4.20 -0.34 -3.12 115.11 120.82 1ji6 h GLN 75 Ca -0.08 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.39 1ji6 h GLN 75 Cb 1.56 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.34 1ji6 h GLN 75 CO 0.17 0.80 0.22 0.82 -0.67 0.00 0.00 178.83 180.17 1ji6 h ILE 76 N -0.04 1.19 -1.00 2.54 1.08 -1.07 -1.11 117.51 119.10 1ji6 h ILE 76 Ca 0.01 -0.55 0.14 0.00 -0.39 0.00 0.00 64.86 64.07 1ji6 h ILE 76 Cb 0.77 0.68 -0.09 0.00 -3.07 0.00 0.00 36.82 35.11 1ji6 h ILE 76 CO 0.05 0.21 0.63 -0.07 -0.69 0.00 0.00 178.15 178.28 1ji6 h LEU 77 N 0.62 0.89 -0.07 1.44 3.38 -1.46 0.11 115.31 120.22 1ji6 h LEU 77 Ca 0.16 0.06 -0.25 0.00 0.09 0.00 0.00 57.88 57.94 1ji6 h LEU 77 Cb 0.13 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.78 1ji6 h LEU 77 CO -0.02 0.44 -1.01 1.23 0.09 0.00 0.00 178.44 179.17 1ji6 h GLY 78 N 0.94 0.66 1.32 0.83 0.00 -1.43 -3.21 103.07 102.16 1ji6 h GLY 78 Ca 0.52 -1.15 -0.08 0.00 0.00 0.00 0.00 47.33 46.61 1ji6 h GLY 78 CO -0.29 1.02 -0.02 -0.24 0.00 0.00 0.00 176.54 177.00 1ji6 h VAL 79 N 0.33 1.25 0.00 4.60 3.04 -0.18 -2.20 116.25 123.09 1ji6 h VAL 79 Ca -0.11 -1.06 -0.01 0.00 -1.01 0.00 0.00 66.70 64.51 1ji6 h VAL 79 Cb 1.65 0.90 -0.00 0.00 -2.01 0.00 0.00 31.29 31.84 1ji6 h VAL 79 CO 0.19 0.37 -0.03 0.58 -1.01 0.00 0.00 177.57 177.67 1ji6 h VAL 80 N 0.76 0.22 -0.06 1.51 2.07 -0.89 0.04 116.25 119.91 1ji6 h VAL 80 Ca 0.14 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1ji6 h VAL 80 Cb 0.50 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1ji6 h VAL 80 CO 0.02 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.26 1ji6 n GLY 81 N -0.81 -0.24 3.69 2.17 0.00 -0.83 -0.17 105.19 109.01 1ji6 n GLY 81 Ca -0.02 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 1ji6 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ji6 s VAL 82 N -1.93 4.42 0.32 1.61 1.01 -0.01 -4.25 120.40 121.57 1ji6 s VAL 82 Ca 0.36 -0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 1ji6 s VAL 82 Cb 0.18 -2.87 -0.13 0.00 0.00 0.00 0.00 36.38 33.56 1ji6 s VAL 82 CO 0.29 0.60 0.98 -2.65 0.00 0.00 0.00 175.10 174.32 1ji6 n PRO 83 N 2.21 1.31 -2.55 2.72 -0.02 -1.26 -1.24 135.00 136.16 1ji6 n PRO 83 Ca -0.19 0.46 -0.20 0.00 -2.02 0.00 0.00 63.50 61.56 1ji6 n PRO 83 Cb 0.54 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1ji6 n PRO 83 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1ji6 n PHE 84 N 0.01 -1.21 -3.84 6.00 0.99 -1.24 -1.86 117.46 116.32 1ji6 n PHE 84 Ca 0.10 0.15 -0.26 0.00 -0.00 0.00 0.00 57.45 57.43 1ji6 n PHE 84 Cb 0.34 -3.93 0.02 0.00 -1.00 0.00 0.00 39.48 34.91 1ji6 n PHE 84 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ji6 n ALA 85 N -2.41 -1.65 -1.41 4.37 0.00 -0.37 -1.48 120.51 117.57 1ji6 n ALA 85 Ca -0.19 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.10 1ji6 n ALA 85 Cb 0.66 -3.16 -0.06 0.00 0.00 0.00 0.00 19.45 16.88 1ji6 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ji6 n GLY 86 N -1.66 1.41 0.29 0.00 0.00 -0.78 -4.75 105.19 99.71 1ji6 n GLY 86 Ca -0.13 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.07 1ji6 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ji6 h ALA 87 N 0.18 1.11 -0.51 4.61 0.00 -1.39 -1.21 119.26 122.04 1ji6 h ALA 87 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ji6 h ALA 87 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ji6 h ALA 87 CO 0.44 -0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.86 1ji6 n LEU 88 N -2.79 3.87 0.00 0.00 4.77 -1.26 -4.99 117.00 116.60 1ji6 n LEU 88 Ca -0.02 -2.28 0.00 0.00 -0.03 0.00 0.00 56.01 53.67 1ji6 n LEU 88 Cb 0.18 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1ji6 n LEU 88 CO 0.15 0.80 0.00 0.35 -1.33 0.00 0.00 177.39 177.36 1ji6 n THR 89 N 0.81 0.00 -1.02 -5.08 -2.24 -0.46 -5.04 114.28 101.25 1ji6 n THR 89 Ca 0.20 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.00 1ji6 n THR 89 Cb 0.68 -0.54 0.32 0.00 -2.10 0.00 0.00 70.33 68.70 1ji6 n THR 89 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ji6 n SER 90 N -1.95 4.81 -0.28 3.42 3.41 -1.26 -4.65 113.62 117.13 1ji6 n SER 90 Ca 0.00 -3.12 0.08 0.00 -0.26 0.00 0.00 58.87 55.57 1ji6 n SER 90 Cb 0.00 -0.68 0.21 0.00 -0.26 0.00 0.00 64.21 63.48 1ji6 n SER 90 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1ji6 h PHE 91 N 2.83 0.08 -1.04 7.33 3.57 -1.97 -1.49 116.94 126.26 1ji6 h PHE 91 Ca 0.12 0.06 0.30 0.00 3.53 0.00 0.00 57.97 61.98 1ji6 h PHE 91 Cb 2.01 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 40.80 1ji6 h PHE 91 CO 1.05 -0.24 0.83 1.88 -2.23 0.00 0.00 178.31 179.61 1ji6 h TYR 92 N 0.13 0.00 -0.10 0.41 0.99 -1.93 0.23 116.97 116.71 1ji6 h TYR 92 Ca 0.47 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.19 1ji6 h TYR 92 Cb 0.88 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.61 1ji6 h TYR 92 CO -0.38 0.00 0.01 1.96 -0.00 0.00 0.00 178.16 179.75 1ji6 h GLN 93 N 0.00 0.18 -0.18 4.88 1.08 -1.65 0.03 115.11 119.44 1ji6 h GLN 93 Ca 0.49 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.61 1ji6 h GLN 93 Cb 2.15 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 29.56 1ji6 h GLN 93 CO -0.01 0.41 -0.01 0.77 -0.95 0.00 0.00 178.83 179.05 1ji6 h SER 94 N -0.08 0.32 -1.00 1.46 0.02 -1.12 -2.70 113.55 110.45 1ji6 h SER 94 Ca 0.03 -0.32 0.13 0.00 -0.84 0.00 0.00 61.79 60.80 1ji6 h SER 94 Cb 0.32 -0.09 -0.09 0.00 0.14 0.00 0.00 62.40 62.69 1ji6 h SER 94 CO 0.00 0.56 0.63 0.15 -1.14 0.00 0.00 176.83 177.03 1ji6 h PHE 95 N 0.07 1.13 -0.17 3.45 3.57 -1.33 -1.21 116.94 122.45 1ji6 h PHE 95 Ca 0.05 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1ji6 h PHE 95 Cb 0.40 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1ji6 h PHE 95 CO 0.04 0.41 0.05 -0.07 -2.23 0.00 0.00 178.31 176.51 1ji6 h LEU 96 N 0.95 0.25 -1.10 0.59 3.38 -0.81 -0.15 115.31 118.42 1ji6 h LEU 96 Ca 0.51 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.28 1ji6 h LEU 96 Cb 0.57 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1ji6 h LEU 96 CO -0.29 0.39 0.58 0.78 0.09 0.00 0.00 178.44 180.00 1ji6 h ASN 97 N 0.10 1.03 0.03 -0.43 -0.26 -1.03 -0.90 115.58 114.12 1ji6 h ASN 97 Ca 0.06 -0.03 -0.04 0.00 -0.56 0.00 0.00 56.30 55.72 1ji6 h ASN 97 Cb 0.23 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 1ji6 h ASN 97 CO -0.00 0.76 -0.17 0.00 -1.06 0.00 0.00 177.43 176.96 1ji6 h THR 98 N 1.21 1.73 0.00 2.81 1.03 -1.09 -3.39 112.91 115.22 1ji6 h THR 98 Ca 0.33 -2.38 -0.33 0.00 -0.01 0.00 0.00 66.41 64.02 1ji6 h THR 98 Cb -0.12 3.34 -0.06 0.00 -1.07 0.00 0.00 68.15 70.24 1ji6 h THR 98 CO -0.07 0.62 -2.24 -0.38 -0.01 0.00 0.00 175.52 173.45 1ji6 n ILE 99 N -4.52 1.24 -2.30 0.00 2.08 -0.08 -4.71 119.36 111.06 1ji6 n ILE 99 Ca -0.11 -0.65 -0.32 0.00 0.56 0.00 0.00 62.75 62.23 1ji6 n ILE 99 Cb 0.55 -0.82 0.01 0.00 -0.75 0.00 0.00 39.64 38.62 1ji6 n ILE 99 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 1ji6 n TRP 100 N -2.85 3.28 -2.11 1.39 7.02 -0.39 -4.84 117.44 118.94 1ji6 n TRP 100 Ca -0.33 -2.86 -0.33 0.00 -1.02 0.00 0.00 57.50 52.95 1ji6 n TRP 100 Cb 1.02 -0.48 0.01 0.00 -2.42 0.00 0.00 31.31 29.44 1ji6 n TRP 100 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 1ji6 s PRO 101 N -3.73 3.32 0.26 -0.99 0.04 -0.91 -4.78 135.00 128.21 1ji6 s PRO 101 Ca 0.49 1.32 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 1ji6 s PRO 101 Cb 0.41 -2.03 0.46 0.00 0.04 0.00 0.00 34.50 33.39 1ji6 s PRO 101 CO -0.27 -0.83 1.81 0.77 0.04 0.00 0.00 177.00 178.52 1ji6 h SER 102 N 0.66 0.71 0.70 6.66 0.02 -1.94 -2.19 113.55 118.17 1ji6 h SER 102 Ca -0.48 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1ji6 h SER 102 Cb 1.23 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1ji6 h SER 102 CO 0.57 0.38 0.00 -0.90 -1.14 0.00 0.00 176.83 175.74 1ji6 n ASP 103 N -4.73 0.18 -2.52 3.07 5.68 -1.26 -4.90 116.55 112.06 1ji6 n ASP 103 Ca 0.16 0.54 -0.19 0.00 -0.50 0.00 0.00 54.79 54.79 1ji6 n ASP 103 Cb 0.33 -0.58 -0.00 0.00 -1.14 0.00 0.00 41.12 39.73 1ji6 n ASP 103 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ji6 n ALA 104 N -1.57 -0.72 -0.06 2.12 0.00 -0.83 -4.90 120.51 114.56 1ji6 n ALA 104 Ca 0.04 0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.54 1ji6 n ALA 104 Cb 0.23 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 1ji6 n ALA 104 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ji6 h ASP 105 N -0.20 0.26 -0.86 0.00 3.45 -1.91 -3.01 116.42 114.16 1ji6 h ASP 105 Ca -0.45 -0.03 0.22 0.00 0.43 0.00 0.00 57.03 57.20 1ji6 h ASP 105 Cb 1.33 -0.07 -0.13 0.00 -0.56 0.00 0.00 39.33 39.90 1ji6 h ASP 105 CO 0.52 0.21 0.26 -0.65 -1.57 0.00 0.00 179.24 178.02 1ji6 h PRO 106 N 0.29 0.26 -0.37 3.56 0.11 -1.90 -1.76 132.00 132.19 1ji6 h PRO 106 Ca 0.08 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1ji6 h PRO 106 Cb -0.01 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 1ji6 h PRO 106 CO -0.02 0.17 0.18 -1.49 -0.21 0.00 0.00 178.00 176.64 1ji6 h TRP 107 N 0.26 0.54 -0.04 0.65 4.06 -1.85 -1.68 115.95 117.88 1ji6 h TRP 107 Ca 0.53 -0.02 0.01 0.00 2.06 0.00 0.00 58.89 61.47 1ji6 h TRP 107 Cb 1.03 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 29.02 1ji6 h TRP 107 CO -0.23 0.45 0.03 0.87 -3.56 0.00 0.00 178.44 176.00 1ji6 h LYS 108 N 0.47 0.00 -0.23 0.49 1.57 -1.34 0.36 116.57 117.88 1ji6 h LYS 108 Ca 0.13 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 1ji6 h LYS 108 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1ji6 h LYS 108 CO -0.02 0.00 -0.32 0.00 -0.57 0.00 0.00 179.45 178.54 1ji6 h ALA 109 N 1.98 0.35 -0.27 3.86 0.00 -1.07 -1.71 119.26 122.40 1ji6 h ALA 109 Ca 0.02 -0.42 -0.17 0.00 0.00 0.00 0.00 54.91 54.35 1ji6 h ALA 109 Cb 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ji6 h ALA 109 CO -0.00 0.38 -0.50 0.74 0.00 0.00 0.00 179.25 179.87 1ji6 h PHE 110 N 0.32 0.92 0.00 0.00 0.05 -0.33 -0.62 116.94 117.28 1ji6 h PHE 110 Ca 0.02 -0.31 -0.01 0.00 3.82 0.00 0.00 57.97 61.49 1ji6 h PHE 110 Cb 0.90 -0.18 -0.00 0.00 2.00 0.00 0.00 35.95 38.67 1ji6 h PHE 110 CO 0.08 1.09 -0.06 0.52 -0.18 0.00 0.00 178.31 179.76 1ji6 h MET 111 N 0.59 0.00 0.00 1.51 2.86 -0.30 -2.78 114.93 116.80 1ji6 h MET 111 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1ji6 h MET 111 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1ji6 h MET 111 CO 0.11 0.06 -1.52 0.00 1.06 0.00 0.00 176.91 176.62 1ji6 n ALA 112 N -2.20 3.25 -0.21 6.32 0.00 -0.65 -4.59 120.51 122.42 1ji6 n ALA 112 Ca -0.02 -0.47 -0.05 0.00 0.00 0.00 0.00 53.44 52.91 1ji6 n ALA 112 Cb 0.20 -0.65 0.05 0.00 0.00 0.00 0.00 19.45 19.06 1ji6 n ALA 112 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ji6 h GLN 113 N 0.00 0.76 0.00 0.00 4.15 -0.81 -2.99 115.11 116.22 1ji6 h GLN 113 Ca 0.00 -0.05 -0.18 0.00 0.77 0.00 0.00 58.65 59.20 1ji6 h GLN 113 Cb 0.71 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 1ji6 h GLN 113 CO 0.00 0.50 -1.18 0.28 -1.93 0.00 0.00 178.83 176.50 1ji6 h VAL 114 N 0.78 0.81 -0.65 2.39 2.07 -1.81 -3.19 116.25 116.64 1ji6 h VAL 114 Ca 0.24 -2.35 0.09 0.00 0.82 0.00 0.00 66.70 65.50 1ji6 h VAL 114 Cb -0.03 2.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.97 1ji6 h VAL 114 CO -0.08 0.46 0.29 -0.33 0.02 0.00 0.00 177.57 177.92 1ji6 h GLU 115 N 0.00 0.48 0.00 1.57 5.08 -1.71 0.18 114.58 120.18 1ji6 h GLU 115 Ca -0.12 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1ji6 h GLU 115 Cb 1.63 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.77 1ji6 h GLU 115 CO 0.07 0.32 -0.16 0.28 -1.00 0.00 0.00 179.01 178.52 1ji6 h VAL 116 N 0.49 0.78 0.13 3.13 2.07 -1.57 0.43 116.25 121.72 1ji6 h VAL 116 Ca 0.33 -0.63 -0.29 0.00 0.82 0.00 0.00 66.70 66.93 1ji6 h VAL 116 Cb 0.38 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1ji6 h VAL 116 CO -0.29 0.16 -1.48 -0.07 0.02 0.00 0.00 177.57 175.91 1ji6 h LEU 117 N 0.00 0.42 -1.22 2.57 3.38 -0.71 -3.36 115.31 116.40 1ji6 h LEU 117 Ca -0.00 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.10 1ji6 h LEU 117 Cb 0.36 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1ji6 h LEU 117 CO 0.02 1.65 -0.31 2.30 0.09 0.00 0.00 178.44 182.20 1ji6 n ILE 118 N -3.86 0.00 -3.48 1.22 -5.35 -0.19 -4.96 119.36 102.76 1ji6 n ILE 118 Ca -0.25 -0.32 -0.20 0.00 -0.27 0.00 0.00 62.75 61.71 1ji6 n ILE 118 Cb 0.93 1.22 0.08 0.00 -1.74 0.00 0.00 39.64 40.13 1ji6 n ILE 118 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1ji6 n ASP 119 N 0.32 -4.50 -4.22 7.28 8.00 0.15 -5.02 116.55 118.56 1ji6 n ASP 119 Ca 0.11 -0.55 -0.23 0.00 0.71 0.00 0.00 54.79 54.83 1ji6 n ASP 119 Cb 0.49 -4.88 -0.09 0.00 -0.02 0.00 0.00 41.12 36.62 1ji6 n ASP 119 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1ji6 s LYS 120 N -5.87 1.80 0.03 -1.24 2.20 -0.87 -5.03 119.74 110.77 1ji6 s LYS 120 Ca 0.33 -2.06 -0.00 0.00 -0.36 0.00 0.00 55.97 53.88 1ji6 s LYS 120 Cb -0.15 -0.62 -0.03 0.00 -1.51 0.00 0.00 37.83 35.52 1ji6 s LYS 120 CO 0.70 -0.39 -0.03 0.15 -0.36 0.00 0.00 175.35 175.42 1ji6 s LYS 121 N -3.79 0.41 -0.20 4.03 -0.14 -1.26 -4.28 119.74 114.51 1ji6 s LYS 121 Ca 0.29 -0.79 -0.18 0.00 -1.36 0.00 0.00 55.97 53.92 1ji6 s LYS 121 Cb 0.05 0.12 -0.03 0.00 -1.68 0.00 0.00 37.83 36.28 1ji6 s LYS 121 CO 0.15 -0.06 0.50 0.42 -0.76 0.00 0.00 175.35 175.59 1ji6 s ILE 122 N -2.17 5.12 0.72 2.17 1.01 -1.26 -5.05 121.20 121.74 1ji6 s ILE 122 Ca -0.09 0.91 -0.16 0.00 0.00 0.00 0.00 60.65 61.31 1ji6 s ILE 122 Cb -0.05 -3.82 -0.00 0.00 0.01 0.00 0.00 42.46 38.60 1ji6 s ILE 122 CO -0.03 0.18 0.87 -0.62 0.00 0.00 0.00 174.94 175.34 1ji6 n GLU 123 N 4.78 0.46 -0.11 2.79 -0.58 -1.26 -4.71 120.64 122.01 1ji6 n GLU 123 Ca -0.05 0.21 -0.05 0.00 -0.42 0.00 0.00 57.16 56.84 1ji6 n GLU 123 Cb 0.50 -2.14 0.02 0.00 -0.57 0.00 0.00 31.44 29.25 1ji6 n GLU 123 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1ji6 h GLU 124 N -0.28 0.09 0.06 3.49 4.81 -1.98 -1.10 114.58 119.66 1ji6 h GLU 124 Ca -0.47 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.77 1ji6 h GLU 124 Cb 1.34 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.65 1ji6 h GLU 124 CO 0.46 0.06 -0.53 0.10 -0.73 0.00 0.00 179.01 178.37 1ji6 h TYR 125 N 0.09 -1.55 -0.96 0.92 -0.00 -2.00 0.06 116.97 113.54 1ji6 h TYR 125 Ca 0.18 0.05 0.09 0.00 0.00 0.00 0.00 58.73 59.05 1ji6 h TYR 125 Cb 0.25 0.67 -0.08 0.00 0.00 0.00 0.00 36.73 37.57 1ji6 h TYR 125 CO -0.26 -0.58 0.60 0.00 -0.00 0.00 0.00 178.16 177.92 1ji6 h ALA 126 N -0.49 1.38 -0.10 0.10 0.00 -1.88 -1.80 119.26 116.48 1ji6 h ALA 126 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1ji6 h ALA 126 Cb 0.74 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1ji6 h ALA 126 CO -0.32 0.27 -0.57 -0.22 0.00 0.00 0.00 179.25 178.40 1ji6 h LYS 127 N 1.01 0.31 0.04 0.00 3.64 -0.55 -2.58 116.57 118.44 1ji6 h LYS 127 Ca 0.45 -0.20 -0.25 0.00 -1.27 0.00 0.00 60.65 59.38 1ji6 h LYS 127 Cb 0.34 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1ji6 h LYS 127 CO -0.23 0.80 -1.24 0.66 -2.27 0.00 0.00 179.45 177.17 1ji6 h SER 128 N 0.23 0.15 -0.40 4.20 4.64 -0.25 -2.79 113.55 119.34 1ji6 h SER 128 Ca -0.00 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 1ji6 h SER 128 Cb 1.08 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 1ji6 h SER 128 CO 0.09 1.14 0.22 0.50 -0.87 0.00 0.00 176.83 177.92 1ji6 h LYS 129 N 0.03 0.55 0.00 4.77 3.11 -1.35 -1.17 116.57 122.51 1ji6 h LYS 129 Ca -0.11 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.66 1ji6 h LYS 129 Cb 1.89 -0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 33.00 1ji6 h LYS 129 CO 0.14 0.45 -0.01 0.00 -2.81 0.00 0.00 179.45 177.22 1ji6 h ALA 130 N 1.08 -0.01 -0.28 5.00 0.00 -1.49 -0.84 119.26 122.72 1ji6 h ALA 130 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1ji6 h ALA 130 Cb 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ji6 h ALA 130 CO -0.02 -0.51 0.19 -0.07 0.00 0.00 0.00 179.25 178.84 1ji6 h LEU 131 N -0.02 0.15 0.03 0.00 3.38 -1.19 -1.05 115.31 116.61 1ji6 h LEU 131 Ca 0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ji6 h LEU 131 Cb 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1ji6 h LEU 131 CO -0.01 0.10 -0.01 0.00 0.09 0.00 0.00 178.44 178.61 1ji6 h ALA 132 N 1.85 -0.04 -0.80 1.53 0.00 -0.42 -1.12 119.26 120.27 1ji6 h ALA 132 Ca 0.12 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1ji6 h ALA 132 Cb 0.27 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1ji6 h ALA 132 CO -0.02 -0.29 0.47 0.93 0.00 0.00 0.00 179.25 180.34 1ji6 h GLU 133 N -0.49 0.81 -0.11 0.00 4.39 -0.81 -0.35 114.58 118.01 1ji6 h GLU 133 Ca -0.00 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 1ji6 h GLU 133 Cb 0.46 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1ji6 h GLU 133 CO 0.01 0.54 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.27 1ji6 h LEU 134 N 0.83 0.15 -0.21 1.33 3.38 -1.12 -0.96 115.31 118.71 1ji6 h LEU 134 Ca 0.36 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.19 1ji6 h LEU 134 Cb 0.24 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1ji6 h LEU 134 CO -0.20 0.23 -0.36 -0.61 0.09 0.00 0.00 178.44 177.59 1ji6 h GLN 135 N 0.16 0.61 -0.59 1.13 4.15 0.24 -1.84 115.11 118.98 1ji6 h GLN 135 Ca 0.04 -0.38 -0.06 0.00 0.77 0.00 0.00 58.65 59.01 1ji6 h GLN 135 Cb 0.20 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 1ji6 h GLN 135 CO 0.01 0.99 0.11 0.78 -1.93 0.00 0.00 178.83 178.79 1ji6 h GLY 136 N 0.30 1.01 0.91 2.39 0.00 -0.87 -2.71 103.07 104.09 1ji6 h GLY 136 Ca 0.02 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 1ji6 h GLY 136 CO 0.08 0.58 0.03 1.41 0.00 0.00 0.00 176.54 178.65 1ji6 h LEU 137 N 0.89 0.56 -0.74 3.11 3.38 -1.14 -1.95 115.31 119.42 1ji6 h LEU 137 Ca 0.19 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.90 1ji6 h LEU 137 Cb 0.37 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1ji6 h LEU 137 CO 0.01 0.70 0.47 -0.61 0.09 0.00 0.00 178.44 179.09 1ji6 h GLN 138 N 0.39 0.90 0.80 1.13 -0.00 -1.26 -0.87 115.11 116.21 1ji6 h GLN 138 Ca 0.10 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 58.66 1ji6 h GLN 138 Cb 0.39 -0.20 0.01 0.00 0.00 0.00 0.00 27.48 27.68 1ji6 h GLN 138 CO 0.01 0.60 -0.39 -0.97 0.00 0.00 0.00 178.83 178.08 1ji6 h ASN 139 N 0.93 -0.91 -0.42 -0.69 -0.73 -1.29 0.72 115.58 113.18 1ji6 h ASN 139 Ca 0.29 0.03 0.08 0.00 1.87 0.00 0.00 56.30 58.57 1ji6 h ASN 139 Cb -0.02 0.24 -0.08 0.00 0.27 0.00 0.00 38.32 38.73 1ji6 h ASN 139 CO -0.10 -0.64 -0.09 0.78 -0.37 0.00 0.00 177.43 177.01 1ji6 h ASN 140 N -1.11 -0.37 -0.55 1.15 -0.26 -1.22 0.16 115.58 113.39 1ji6 h ASN 140 Ca -0.11 0.12 -0.00 0.00 -0.56 0.00 0.00 56.30 55.75 1ji6 h ASN 140 Cb 0.83 0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 38.32 1ji6 h ASN 140 CO 0.18 -0.13 0.32 0.15 -1.06 0.00 0.00 177.43 176.89 1ji6 h PHE 141 N 0.01 0.73 -0.48 1.19 3.57 -1.06 0.47 116.94 121.36 1ji6 h PHE 141 Ca 0.20 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.57 1ji6 h PHE 141 Cb 0.31 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1ji6 h PHE 141 CO -0.36 0.51 -0.20 1.49 -2.23 0.00 0.00 178.31 177.52 1ji6 h GLU 142 N 0.73 0.97 -0.12 1.11 4.81 -0.34 -1.02 114.58 120.73 1ji6 h GLU 142 Ca 0.19 -0.40 0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1ji6 h GLU 142 Cb 0.00 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1ji6 h GLU 142 CO -0.04 1.08 -0.17 -0.44 -0.73 0.00 0.00 179.01 178.71 1ji6 h ASP 143 N 0.84 -0.51 0.03 1.04 3.32 -0.17 -2.18 116.42 118.79 1ji6 h ASP 143 Ca 0.11 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.28 1ji6 h ASP 143 Cb 0.77 0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 1ji6 h ASP 143 CO 0.06 -0.22 -0.15 0.22 -1.72 0.00 0.00 179.24 177.43 1ji6 h TYR 144 N -0.22 -0.40 -0.89 4.55 3.20 -0.70 -1.99 116.97 120.52 1ji6 h TYR 144 Ca 0.09 0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.14 1ji6 h TYR 144 Cb 0.35 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.72 1ji6 h TYR 144 CO -0.27 -0.23 0.57 0.28 -1.64 0.00 0.00 178.16 176.87 1ji6 h VAL 145 N -0.27 0.77 -0.17 1.81 2.07 -0.70 0.16 116.25 119.92 1ji6 h VAL 145 Ca 0.04 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.24 1ji6 h VAL 145 Cb 0.32 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1ji6 h VAL 145 CO -0.13 0.11 -0.38 0.78 0.02 0.00 0.00 177.57 177.97 1ji6 h ASN 146 N 0.58 0.62 -0.16 0.57 2.35 -0.92 -0.58 115.58 118.05 1ji6 h ASN 146 Ca 0.45 -0.57 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1ji6 h ASN 146 Cb 0.88 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 1ji6 h ASN 146 CO -0.20 1.08 0.07 0.00 -1.65 0.00 0.00 177.43 176.73 1ji6 h ALA 147 N 0.56 1.75 -0.21 -0.83 0.00 -0.62 -2.84 119.26 117.08 1ji6 h ALA 147 Ca -0.00 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1ji6 h ALA 147 Cb 0.99 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.69 1ji6 h ALA 147 CO 0.08 0.20 -0.62 1.25 0.00 0.00 0.00 179.25 180.16 1ji6 h LEU 148 N 0.28 0.91 -1.25 0.00 5.85 -0.21 -2.27 115.31 118.62 1ji6 h LEU 148 Ca 0.07 -0.59 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 1ji6 h LEU 148 Cb 0.08 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1ji6 h LEU 148 CO -0.01 1.33 0.29 0.78 -0.34 0.00 0.00 178.44 180.50 1ji6 h ASN 149 N 0.53 0.72 0.84 1.25 2.35 -0.89 -1.21 115.58 119.17 1ji6 h ASN 149 Ca -0.02 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 1ji6 h ASN 149 Cb 1.25 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.44 1ji6 h ASN 149 CO 0.13 0.60 -0.44 0.28 -1.65 0.00 0.00 177.43 176.36 1ji6 h SER 150 N 0.81 -1.07 -0.80 5.81 0.02 -1.42 -2.00 113.55 114.89 1ji6 h SER 150 Ca 0.20 0.05 0.19 0.00 -0.84 0.00 0.00 61.79 61.39 1ji6 h SER 150 Cb 0.06 0.29 -0.12 0.00 0.14 0.00 0.00 62.40 62.77 1ji6 h SER 150 CO -0.03 -0.72 0.21 -0.25 -1.14 0.00 0.00 176.83 174.90 1ji6 h TRP 151 N -1.18 0.33 -0.35 3.45 2.91 -1.11 0.13 115.95 120.13 1ji6 h TRP 151 Ca -0.11 0.05 -0.06 0.00 1.13 0.00 0.00 58.89 59.90 1ji6 h TRP 151 Cb 0.92 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.53 1ji6 h TRP 151 CO -0.02 -0.12 -0.02 0.87 -1.03 0.00 0.00 178.44 178.12 1ji6 h LYS 152 N 0.26 0.55 0.00 2.65 1.57 -1.06 -3.00 116.57 117.55 1ji6 h LYS 152 Ca 0.47 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 59.11 1ji6 h LYS 152 Cb 0.86 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 1ji6 h LYS 152 CO -0.56 0.59 -0.09 0.87 -0.57 0.00 0.00 179.45 179.69 1ji6 h LYS 153 N 0.52 0.00 -6.26 3.15 1.57 -0.02 -3.46 116.57 112.07 1ji6 h LYS 153 Ca 0.11 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.34 1ji6 h LYS 153 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1ji6 h LYS 153 CO 0.01 0.07 0.99 0.99 -0.57 0.00 0.00 179.45 180.94 1ji6 s THR 154 N -3.18 3.77 0.59 -0.16 2.01 -0.46 -4.98 115.64 113.24 1ji6 s THR 154 Ca 0.06 1.00 -0.20 0.00 0.31 0.00 0.00 61.69 62.87 1ji6 s THR 154 Cb 0.05 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1ji6 s THR 154 CO 0.68 -0.07 1.17 -2.65 -0.69 0.00 0.00 174.62 173.07 1ji6 n PRO 155 N 6.60 1.20 -0.05 4.92 -0.02 -1.26 -4.81 135.00 141.58 1ji6 n PRO 155 Ca 0.15 0.46 -0.10 0.00 -2.02 0.00 0.00 63.50 61.99 1ji6 n PRO 155 Cb 0.43 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 1ji6 n PRO 155 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1ji6 h LEU 156 N 0.81 -1.22 -1.73 2.45 3.38 -1.96 0.18 115.31 117.21 1ji6 h LEU 156 Ca -0.50 0.18 0.19 0.00 0.09 0.00 0.00 57.88 57.84 1ji6 h LEU 156 Cb 1.34 0.52 -0.03 0.00 0.09 0.00 0.00 40.66 42.58 1ji6 h LEU 156 CO 0.53 -0.38 0.70 0.77 0.09 0.00 0.00 178.44 180.15 1ji6 h SER 157 N -0.39 0.00 -0.13 -0.43 4.64 -2.04 0.53 113.55 115.73 1ji6 h SER 157 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1ji6 h SER 157 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1ji6 h SER 157 CO -0.45 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.69 1ji6 n LEU 158 N -3.62 3.13 -4.67 5.97 4.77 0.03 -4.92 117.00 117.68 1ji6 n LEU 158 Ca 0.13 -1.14 -0.43 0.00 -0.03 0.00 0.00 56.01 54.55 1ji6 n LEU 158 Cb 0.93 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.93 1ji6 n LEU 158 CO 0.27 0.57 0.91 -0.13 -1.33 0.00 0.00 177.39 177.69 1ji6 s ARG 159 N -1.85 4.32 0.40 3.23 0.52 0.17 -4.91 118.95 120.83 1ji6 s ARG 159 Ca 0.31 1.48 0.08 0.00 -0.52 0.00 0.00 55.73 57.08 1ji6 s ARG 159 Cb 0.21 -3.62 -0.02 0.00 0.52 0.00 0.00 34.95 32.04 1ji6 s ARG 159 CO 0.30 -0.51 0.38 -1.54 0.02 0.00 0.00 175.30 173.95 1ji6 s SER 160 N 1.36 5.18 0.42 0.23 1.04 -1.26 -5.00 113.70 115.66 1ji6 s SER 160 Ca 0.49 -0.65 0.16 0.00 0.48 0.00 0.00 55.95 56.44 1ji6 s SER 160 Cb -0.19 -0.68 0.91 0.00 0.10 0.00 0.00 66.02 66.17 1ji6 s SER 160 CO 0.14 -0.60 1.90 0.11 0.98 0.00 0.00 173.24 175.77 1ji6 h LYS 161 N 1.03 0.00 -0.34 4.02 1.79 -1.99 -1.57 116.57 119.52 1ji6 h LYS 161 Ca -0.42 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.03 1ji6 h LYS 161 Cb 1.26 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 1ji6 h LYS 161 CO 0.56 0.29 0.13 -0.09 -1.08 0.00 0.00 179.45 179.26 1ji6 h ARG 162 N 0.00 0.51 0.18 3.15 2.43 -1.99 0.12 114.38 118.77 1ji6 h ARG 162 Ca -0.00 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1ji6 h ARG 162 Cb 0.56 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1ji6 h ARG 162 CO 0.04 0.51 -0.10 0.77 -1.51 0.00 0.00 179.97 179.67 1ji6 h SER 163 N 0.40 -0.25 0.27 -3.80 0.02 -1.70 -1.33 113.55 107.16 1ji6 h SER 163 Ca 0.11 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1ji6 h SER 163 Cb 0.19 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1ji6 h SER 163 CO -0.01 -0.17 -0.46 1.56 -1.14 0.00 0.00 176.83 176.62 1ji6 h GLN 164 N -0.26 -0.75 -0.70 3.45 4.20 -1.17 0.86 115.11 120.75 1ji6 h GLN 164 Ca -0.02 0.05 0.15 0.00 0.06 0.00 0.00 58.65 58.89 1ji6 h GLN 164 Cb 0.21 0.17 -0.11 0.00 0.30 0.00 0.00 27.48 28.06 1ji6 h GLN 164 CO 0.02 -0.50 0.12 -0.44 -0.67 0.00 0.00 178.83 177.37 1ji6 h ASP 165 N -0.78 -0.07 0.54 1.46 3.32 -0.96 -1.65 116.42 118.27 1ji6 h ASP 165 Ca -0.03 0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1ji6 h ASP 165 Cb 0.72 0.22 0.01 0.00 0.22 0.00 0.00 39.33 40.49 1ji6 h ASP 165 CO -0.16 -0.06 -0.26 -0.09 -1.72 0.00 0.00 179.24 176.96 1ji6 h ARG 166 N 0.22 -0.70 -0.71 3.56 2.43 -0.82 -1.95 114.38 116.42 1ji6 h ARG 166 Ca 0.38 0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.72 1ji6 h ARG 166 Cb 0.64 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.27 1ji6 h ARG 166 CO -0.51 -0.39 0.30 0.97 -1.51 0.00 0.00 179.97 178.83 1ji6 h ILE 167 N -0.98 0.74 0.09 1.20 6.09 -0.68 -2.15 117.51 121.82 1ji6 h ILE 167 Ca -0.07 -0.17 0.01 0.00 -1.37 0.00 0.00 64.86 63.26 1ji6 h ILE 167 Cb 0.63 0.21 -0.01 0.00 0.47 0.00 0.00 36.82 38.12 1ji6 h ILE 167 CO 0.12 0.09 -0.10 0.03 -3.07 0.00 0.00 178.15 175.22 1ji6 h ARG 168 N 0.48 -0.21 -1.01 2.19 3.08 -1.29 -0.55 114.38 117.08 1ji6 h ARG 168 Ca 0.37 0.01 0.25 0.00 0.07 0.00 0.00 59.98 60.68 1ji6 h ARG 168 Cb 0.49 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.50 1ji6 h ARG 168 CO -0.34 -0.14 0.65 1.49 -1.07 0.00 0.00 179.97 180.56 1ji6 h GLU 169 N -0.22 0.42 -0.02 0.04 4.81 -0.77 0.17 114.58 119.02 1ji6 h GLU 169 Ca 0.01 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 1ji6 h GLU 169 Cb 0.22 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.51 1ji6 h GLU 169 CO -0.04 0.28 -0.63 -0.07 -0.73 0.00 0.00 179.01 177.82 1ji6 h LEU 170 N 0.44 0.60 0.08 1.64 3.38 -0.85 -2.78 115.31 117.82 1ji6 h LEU 170 Ca 0.57 -0.73 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1ji6 h LEU 170 Cb 1.38 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1ji6 h LEU 170 CO -0.28 1.25 -0.04 0.15 0.09 0.00 0.00 178.44 179.60 1ji6 h PHE 171 N 0.00 -0.10 0.00 1.13 3.57 0.72 -1.14 116.94 121.12 1ji6 h PHE 171 Ca -0.07 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1ji6 h PHE 171 Cb 1.32 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 40.10 1ji6 h PHE 171 CO 0.13 -0.03 -0.03 0.77 -2.23 0.00 0.00 178.31 176.92 1ji6 h SER 172 N -0.14 0.00 -0.00 0.41 0.02 -0.86 -1.10 113.55 111.88 1ji6 h SER 172 Ca -0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1ji6 h SER 172 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1ji6 h SER 172 CO 0.02 0.03 -0.05 -0.61 -1.14 0.00 0.00 176.83 175.08 1ji6 h GLN 173 N 0.00 0.04 0.16 3.45 4.15 -1.13 -1.93 115.11 119.86 1ji6 h GLN 173 Ca -0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1ji6 h GLN 173 Cb 0.07 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1ji6 h GLN 173 CO 0.00 0.81 -0.08 0.00 -1.93 0.00 0.00 178.83 177.64 1ji6 h ALA 174 N 0.23 -0.22 -0.48 3.38 0.00 -0.86 0.29 119.26 121.59 1ji6 h ALA 174 Ca -0.01 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1ji6 h ALA 174 Cb 0.83 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1ji6 h ALA 174 CO 0.01 -0.55 0.25 1.49 0.00 0.00 0.00 179.25 180.45 1ji6 h GLU 175 N -0.36 0.48 -0.28 0.00 4.22 -1.34 0.75 114.58 118.04 1ji6 h GLU 175 Ca -0.02 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.31 1ji6 h GLU 175 Cb 0.28 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1ji6 h GLU 175 CO 0.04 0.32 -0.13 1.03 -2.18 0.00 0.00 179.01 178.08 1ji6 h SER 176 N 0.49 0.60 -0.83 1.04 0.87 -1.31 -0.02 113.55 114.39 1ji6 h SER 176 Ca 0.21 -0.41 0.01 0.00 -1.23 0.00 0.00 61.79 60.37 1ji6 h SER 176 Cb 0.10 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.86 1ji6 h SER 176 CO -0.14 0.88 0.55 -0.74 -0.53 0.00 0.00 176.83 176.84 1ji6 h HIS 177 N 0.33 1.04 -0.30 2.24 -0.00 -0.54 -1.02 115.15 116.89 1ji6 h HIS 177 Ca 0.06 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.43 1ji6 h HIS 177 Cb 0.65 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 1ji6 h HIS 177 CO 0.06 0.65 0.09 0.74 -0.00 0.00 0.00 177.93 179.47 1ji6 h PHE 178 N 1.12 0.50 -0.63 5.26 -1.00 -0.74 -0.59 116.94 120.85 1ji6 h PHE 178 Ca 0.30 -0.05 0.09 0.00 2.81 0.00 0.00 57.97 61.12 1ji6 h PHE 178 Cb -0.13 -0.14 -0.07 0.00 3.61 0.00 0.00 35.95 39.22 1ji6 h PHE 178 CO -0.01 0.52 0.27 -0.09 -1.61 0.00 0.00 178.31 177.39 1ji6 h ARG 179 N 0.33 0.46 0.00 1.51 2.43 -0.32 -1.99 114.38 116.81 1ji6 h ARG 179 Ca 0.10 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1ji6 h ARG 179 Cb 0.27 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1ji6 h ARG 179 CO -0.00 0.31 -0.22 -0.91 -1.51 0.00 0.00 179.97 177.63 1ji6 h ASN 180 N 0.48 0.00 0.10 -3.80 2.35 -1.02 -3.35 115.58 110.34 1ji6 h ASN 180 Ca 0.31 -0.03 -0.25 0.00 -0.55 0.00 0.00 56.30 55.78 1ji6 h ASN 180 Cb 0.35 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.74 1ji6 h ASN 180 CO -0.28 0.01 -1.01 0.28 -1.65 0.00 0.00 177.43 174.79 1ji6 h SER 181 N 0.00 0.80 -0.52 5.81 0.02 -0.33 -3.38 113.55 115.95 1ji6 h SER 181 Ca 0.00 -0.64 0.17 0.00 -0.84 0.00 0.00 61.79 60.49 1ji6 h SER 181 Cb 0.90 -0.24 -0.10 0.00 0.14 0.00 0.00 62.40 63.10 1ji6 h SER 181 CO 0.00 1.44 0.11 0.23 -1.14 0.00 0.00 176.83 177.47 1ji6 n MET 182 N -3.82 -0.04 0.16 3.45 2.81 -1.12 0.17 117.12 118.73 1ji6 n MET 182 Ca -0.10 0.76 0.08 0.00 -1.81 0.00 0.00 57.70 56.63 1ji6 n MET 182 Cb 0.86 -1.26 0.59 0.00 -0.71 0.00 0.00 33.22 32.70 1ji6 n MET 182 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1ji6 h PRO 183 N 0.00 0.14 0.00 0.03 0.11 -1.86 -2.02 132.00 128.40 1ji6 h PRO 183 Ca 0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1ji6 h PRO 183 Cb 0.84 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1ji6 h PRO 183 CO -0.46 0.09 0.18 0.77 -0.21 0.00 0.00 178.00 178.37 1ji6 h SER 184 N 0.15 0.00 -0.21 -2.05 0.02 -0.58 0.63 113.55 111.51 1ji6 h SER 184 Ca 0.07 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1ji6 h SER 184 Cb 0.09 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1ji6 h SER 184 CO -0.01 0.00 -0.00 0.49 -1.14 0.00 0.00 176.83 176.17 1ji6 n PHE 185 N -2.82 0.74 -2.54 3.45 0.99 -0.76 -4.40 117.46 112.13 1ji6 n PHE 185 Ca -0.02 -0.93 0.02 0.00 -0.00 0.00 0.00 57.45 56.52 1ji6 n PHE 185 Cb 0.23 -0.29 0.02 0.00 -1.00 0.00 0.00 39.48 38.45 1ji6 n PHE 185 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ji6 n ALA 186 N -0.73 2.59 -1.15 4.37 0.00 0.20 -4.56 120.51 121.22 1ji6 n ALA 186 Ca 0.21 -2.22 -0.35 0.00 0.00 0.00 0.00 53.44 51.08 1ji6 n ALA 186 Cb 0.84 -0.73 0.10 0.00 0.00 0.00 0.00 19.45 19.65 1ji6 n ALA 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ji6 n VAL 187 N 0.09 1.65 -1.91 0.00 0.31 -1.13 -4.89 118.33 112.44 1ji6 n VAL 187 Ca 0.02 -0.31 -0.41 0.00 -0.01 0.00 0.00 64.34 63.62 1ji6 n VAL 187 Cb 1.01 -0.88 -0.02 0.00 -0.91 0.00 0.00 33.84 33.04 1ji6 n VAL 187 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ji6 s SER 188 N -1.75 6.52 -2.02 4.52 0.15 -1.26 -1.95 113.70 117.92 1ji6 s SER 188 Ca 0.67 2.82 0.00 0.00 0.70 0.00 0.00 55.95 60.14 1ji6 s SER 188 Cb -0.31 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.37 1ji6 s SER 188 CO 0.57 -0.78 0.00 1.17 1.20 0.00 0.00 173.24 175.40 1ji6 n LYS 189 N 1.90 -1.39 -2.71 5.44 4.81 -1.26 -4.81 118.16 120.15 1ji6 n LYS 189 Ca 0.06 1.15 -0.06 0.00 -0.87 0.00 0.00 58.31 58.60 1ji6 n LYS 189 Cb 0.39 -5.52 0.07 0.00 0.02 0.00 0.00 35.03 30.00 1ji6 n LYS 189 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1ji6 n PHE 190 N -2.66 -0.25 -0.06 5.64 0.99 -0.82 -4.92 117.46 115.37 1ji6 n PHE 190 Ca -0.20 -2.27 -0.22 0.00 -0.00 0.00 0.00 57.45 54.76 1ji6 n PHE 190 Cb 0.65 0.46 -0.13 0.00 -1.00 0.00 0.00 39.48 39.46 1ji6 n PHE 190 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1ji6 n GLU 191 N -0.53 0.67 0.07 -1.08 4.71 -1.25 -2.44 120.64 120.78 1ji6 n GLU 191 Ca 0.02 0.37 0.04 0.00 -0.01 0.00 0.00 57.16 57.58 1ji6 n GLU 191 Cb 0.83 -1.69 0.44 0.00 -1.01 0.00 0.00 31.44 30.01 1ji6 n GLU 191 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1ji6 h VAL 192 N -0.42 1.11 0.05 2.62 2.07 -1.91 -2.86 116.25 116.91 1ji6 h VAL 192 Ca -0.43 -0.33 -0.25 0.00 0.82 0.00 0.00 66.70 66.51 1ji6 h VAL 192 Cb 1.72 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1ji6 h VAL 192 CO -0.08 0.13 -1.24 -0.07 0.02 0.00 0.00 177.57 176.33 1ji6 h LEU 193 N 0.40 0.18 -0.20 2.57 3.38 -1.93 -2.09 115.31 117.61 1ji6 h LEU 193 Ca 0.10 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ji6 h LEU 193 Cb 0.07 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ji6 h LEU 193 CO -0.01 1.17 0.00 0.49 0.09 0.00 0.00 178.44 180.18 1ji6 n PHE 194 N -3.38 0.00 -0.23 1.13 0.99 -1.02 -4.60 117.46 110.36 1ji6 n PHE 194 Ca -0.07 -0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.27 1ji6 n PHE 194 Cb 0.99 0.00 -0.07 0.00 -1.00 0.00 0.00 39.48 39.40 1ji6 n PHE 194 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1ji6 h LEU 195 N 0.48 -1.78 -0.91 4.37 5.85 -1.15 -1.91 115.31 120.25 1ji6 h LEU 195 Ca 0.00 0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 1ji6 h LEU 195 Cb 0.10 0.77 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 1ji6 h LEU 195 CO 0.00 -0.34 0.36 -0.65 -0.34 0.00 0.00 178.44 177.46 1ji6 h PRO 196 N -0.25 1.15 0.03 5.25 0.11 -1.85 -0.68 132.00 135.76 1ji6 h PRO 196 Ca 0.14 -0.18 0.01 0.00 0.11 0.00 0.00 66.00 66.08 1ji6 h PRO 196 Cb 0.55 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1ji6 h PRO 196 CO -0.71 0.90 -0.08 1.15 -0.21 0.00 0.00 178.00 179.05 1ji6 h THR 197 N 1.13 0.81 0.32 -1.15 2.02 -1.77 -0.64 112.91 113.63 1ji6 h THR 197 Ca 0.27 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.45 1ji6 h THR 197 Cb 0.15 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1ji6 h THR 197 CO -0.03 0.00 -0.28 0.22 0.37 0.00 0.00 175.52 175.80 1ji6 h TYR 198 N -0.15 -0.75 -0.50 3.16 3.20 -1.15 -0.45 116.97 120.33 1ji6 h TYR 198 Ca 0.02 0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.98 1ji6 h TYR 198 Cb 0.17 0.29 -0.07 0.00 1.54 0.00 0.00 36.73 38.65 1ji6 h TYR 198 CO -0.13 -0.41 0.07 0.00 -1.64 0.00 0.00 178.16 176.05 1ji6 h ALA 199 N -0.03 0.53 -0.78 1.82 0.00 -1.00 0.95 119.26 120.75 1ji6 h ALA 199 Ca -0.02 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1ji6 h ALA 199 Cb 0.55 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1ji6 h ALA 199 CO -0.04 -0.34 0.36 1.96 0.00 0.00 0.00 179.25 181.20 1ji6 h GLN 200 N 0.19 1.12 -0.08 0.00 1.08 -0.90 -0.12 115.11 116.40 1ji6 h GLN 200 Ca 0.25 -0.17 -0.17 0.00 -1.45 0.00 0.00 58.65 57.12 1ji6 h GLN 200 Cb 0.35 -0.20 0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1ji6 h GLN 200 CO -0.36 0.87 -0.60 0.00 -0.95 0.00 0.00 178.83 177.79 1ji6 h ALA 201 N 1.29 0.18 -0.12 3.87 0.00 -0.55 -3.16 119.26 120.77 1ji6 h ALA 201 Ca 0.27 -0.55 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1ji6 h ALA 201 Cb 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1ji6 h ALA 201 CO -0.03 0.44 -0.21 0.00 0.00 0.00 0.00 179.25 179.45 1ji6 h ALA 202 N 0.45 -0.18 -0.81 0.00 0.00 -0.65 -0.58 119.26 117.49 1ji6 h ALA 202 Ca -0.05 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.11 1ji6 h ALA 202 Cb 1.26 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 1ji6 h ALA 202 CO 0.12 -0.67 0.56 -0.97 0.00 0.00 0.00 179.25 178.30 1ji6 h ASN 203 N -0.27 0.18 0.34 0.00 -1.24 -1.08 -1.33 115.58 112.17 1ji6 h ASN 203 Ca 0.10 0.02 -0.29 0.00 0.71 0.00 0.00 56.30 56.83 1ji6 h ASN 203 Cb 0.41 -0.02 0.02 0.00 0.73 0.00 0.00 38.32 39.47 1ji6 h ASN 203 CO -0.28 0.08 -1.26 0.74 -1.29 0.00 0.00 177.43 175.42 1ji6 h THR 204 N 0.18 1.36 -0.96 -3.57 2.02 -1.10 -2.21 112.91 108.63 1ji6 h THR 204 Ca 0.40 -2.69 0.04 0.00 0.77 0.00 0.00 66.41 64.92 1ji6 h THR 204 Cb 1.31 2.81 -0.06 0.00 -1.74 0.00 0.00 68.15 70.47 1ji6 h THR 204 CO -0.08 0.80 0.63 -0.74 0.37 0.00 0.00 175.52 176.50 1ji6 h HIS 205 N 0.18 1.17 -0.21 3.16 -0.00 -0.31 -1.16 115.15 117.98 1ji6 h HIS 205 Ca -0.17 0.03 -0.20 0.00 -0.00 0.00 0.00 60.37 60.02 1ji6 h HIS 205 Cb 1.95 -0.39 0.01 0.00 -0.00 0.00 0.00 27.41 28.97 1ji6 h HIS 205 CO 0.10 0.68 -0.66 -0.07 -0.00 0.00 0.00 177.93 177.98 1ji6 h LEU 206 N 1.21 0.95 -1.90 0.26 3.38 -1.42 -0.90 115.31 116.89 1ji6 h LEU 206 Ca 0.38 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1ji6 h LEU 206 Cb -0.00 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1ji6 h LEU 206 CO -0.12 1.37 -0.12 -0.07 0.09 0.00 0.00 178.44 179.59 1ji6 h LEU 207 N 0.58 0.00 0.09 1.67 3.38 -0.96 -2.44 115.31 117.63 1ji6 h LEU 207 Ca -0.02 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.72 1ji6 h LEU 207 Cb 1.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1ji6 h LEU 207 CO 0.14 0.12 -1.13 0.25 0.09 0.00 0.00 178.44 177.91 1ji6 h LEU 208 N 0.00 0.31 -0.97 1.67 5.85 -1.13 -3.37 115.31 117.68 1ji6 h LEU 208 Ca -0.00 -0.85 0.05 0.00 0.84 0.00 0.00 57.88 57.92 1ji6 h LEU 208 Cb 0.25 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1ji6 h LEU 208 CO 0.02 1.49 0.63 -0.07 -0.34 0.00 0.00 178.44 180.17 1ji6 h LEU 209 N -0.48 1.02 -1.96 2.25 3.38 -1.00 -0.56 115.31 117.96 1ji6 h LEU 209 Ca -0.25 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.79 1ji6 h LEU 209 Cb 1.60 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1ji6 h LEU 209 CO 0.04 0.68 0.18 0.07 0.09 0.00 0.00 178.44 179.49 1ji6 h LYS 210 N 1.18 0.04 -0.34 1.13 5.09 -1.61 -0.01 116.57 122.05 1ji6 h LYS 210 Ca 0.40 -0.00 0.10 0.00 0.09 0.00 0.00 60.65 61.24 1ji6 h LYS 210 Cb 0.08 -0.01 -0.01 0.00 0.10 0.00 0.00 32.23 32.39 1ji6 h LYS 210 CO -0.15 0.03 0.31 -0.44 -2.09 0.00 0.00 179.45 177.11 1ji6 h ASP 211 N 0.05 0.00 0.20 7.07 3.32 -1.24 0.25 116.42 126.07 1ji6 h ASP 211 Ca 0.12 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 1ji6 h ASP 211 Cb 0.41 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1ji6 h ASP 211 CO -0.01 0.00 -0.25 0.00 -1.72 0.00 0.00 179.24 177.26 1ji6 h ALA 212 N 1.71 1.47 0.00 3.45 0.00 -1.09 0.63 119.26 125.43 1ji6 h ALA 212 Ca 0.16 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1ji6 h ALA 212 Cb 0.77 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1ji6 h ALA 212 CO -0.00 0.38 -0.72 1.96 0.00 0.00 0.00 179.25 180.87 1ji6 h GLN 213 N 0.09 0.00 0.00 0.00 1.08 -0.63 -0.47 115.11 115.18 1ji6 h GLN 213 Ca 0.01 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.16 1ji6 h GLN 213 Cb 0.50 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1ji6 h GLN 213 CO 0.04 0.46 -0.33 0.28 -0.95 0.00 0.00 178.83 178.32 1ji6 h VAL 214 N 0.00 1.35 0.00 -0.54 2.07 -1.31 -3.42 116.25 114.40 1ji6 h VAL 214 Ca -0.04 -2.14 -0.01 0.00 0.82 0.00 0.00 66.70 65.33 1ji6 h VAL 214 Cb 1.43 2.68 -0.00 0.00 -1.52 0.00 0.00 31.29 33.88 1ji6 h VAL 214 CO 0.06 0.46 -1.95 0.49 0.02 0.00 0.00 177.57 176.65 1ji6 n PHE 215 N -4.58 0.00 -0.20 1.57 3.01 0.17 -4.73 117.46 112.70 1ji6 n PHE 215 Ca -0.14 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.29 1ji6 n PHE 215 Cb 0.48 -0.48 -0.01 0.00 -0.01 0.00 0.00 39.48 39.46 1ji6 n PHE 215 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ji6 n GLY 216 N 1.36 -1.15 0.33 1.37 0.00 -0.19 -1.15 105.19 105.76 1ji6 n GLY 216 Ca -0.05 0.58 -0.07 0.00 0.00 0.00 0.00 46.02 46.48 1ji6 n GLY 216 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ji6 h GLU 217 N 0.00 1.15 0.00 1.61 4.81 -1.79 -1.82 114.58 118.53 1ji6 h GLU 217 Ca 0.14 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1ji6 h GLU 217 Cb 0.26 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1ji6 h GLU 217 CO -0.49 1.00 0.00 1.05 -0.73 0.00 0.00 179.01 179.84 1ji6 h GLU 218 N 1.09 0.00 0.00 1.92 4.11 -1.46 -3.06 114.58 117.18 1ji6 h GLU 218 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 1ji6 h GLU 218 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1ji6 h GLU 218 CO -0.00 0.00 -0.04 0.91 0.07 0.00 0.00 179.01 179.95 1ji6 n TRP 219 N -2.92 0.61 0.00 2.06 8.01 -0.61 -4.92 117.44 119.67 1ji6 n TRP 219 Ca 0.04 0.18 0.00 0.00 -1.31 0.00 0.00 57.50 56.40 1ji6 n TRP 219 Cb 0.46 -0.78 0.00 0.00 -2.01 0.00 0.00 31.31 28.98 1ji6 n TRP 219 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ji6 n GLY 220 N 1.37 0.66 3.76 6.99 0.00 -1.03 -4.60 105.19 112.33 1ji6 n GLY 220 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1ji6 n GLY 220 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ji6 s TYR 221 N -2.00 2.43 0.66 1.61 4.12 -0.73 -5.01 117.35 118.43 1ji6 s TYR 221 Ca 0.00 1.54 0.04 0.00 0.02 0.00 0.00 57.07 58.67 1ji6 s TYR 221 Cb 0.00 -3.38 0.11 0.00 -1.52 0.00 0.00 41.96 37.17 1ji6 s TYR 221 CO 0.00 -2.05 0.90 -1.54 0.02 0.00 0.00 175.55 172.88 1ji6 s SER 222 N -1.88 4.68 0.15 2.29 1.04 -1.26 -4.45 113.70 114.27 1ji6 s SER 222 Ca 0.74 -0.60 -0.22 0.00 0.48 0.00 0.00 55.95 56.35 1ji6 s SER 222 Cb -0.27 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.02 1ji6 s SER 222 CO 0.35 -1.63 1.63 0.28 0.98 0.00 0.00 173.24 174.85 1ji6 h SER 223 N -0.21 -0.74 -0.01 7.02 0.02 -1.98 -0.45 113.55 117.19 1ji6 h SER 223 Ca -0.33 0.13 0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1ji6 h SER 223 Cb 1.28 0.35 -0.05 0.00 0.14 0.00 0.00 62.40 64.11 1ji6 h SER 223 CO 0.40 -0.27 -0.33 -0.33 -1.14 0.00 0.00 176.83 175.16 1ji6 h GLU 224 N -0.25 -0.46 0.03 3.45 3.07 -1.98 0.14 114.58 118.57 1ji6 h GLU 224 Ca 0.13 0.03 0.03 0.00 -0.50 0.00 0.00 59.36 59.05 1ji6 h GLU 224 Cb 0.45 0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 28.41 1ji6 h GLU 224 CO -0.37 -0.31 -0.36 -0.44 -1.40 0.00 0.00 179.01 176.13 1ji6 h ASP 225 N -0.48 -1.08 -0.95 1.42 3.32 -1.78 -0.73 116.42 116.13 1ji6 h ASP 225 Ca 0.06 0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.32 1ji6 h ASP 225 Cb 0.57 0.43 -0.06 0.00 0.22 0.00 0.00 39.33 40.48 1ji6 h ASP 225 CO -0.28 -0.42 0.62 0.58 -1.72 0.00 0.00 179.24 178.01 1ji6 h VAL 226 N -0.54 1.06 -0.10 -1.35 2.07 -0.86 -2.39 116.25 114.14 1ji6 h VAL 226 Ca 0.05 -0.37 -0.12 0.00 0.82 0.00 0.00 66.70 67.09 1ji6 h VAL 226 Cb 0.61 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1ji6 h VAL 226 CO -0.27 0.20 -0.45 0.00 0.02 0.00 0.00 177.57 177.06 1ji6 h ALA 227 N 1.49 1.05 -0.92 1.67 0.00 0.20 -2.48 119.26 120.27 1ji6 h ALA 227 Ca 0.42 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ji6 h ALA 227 Cb 0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1ji6 h ALA 227 CO -0.17 0.62 0.53 0.93 0.00 0.00 0.00 179.25 181.16 1ji6 h GLU 228 N 0.20 1.27 -0.09 0.00 5.08 -0.65 -0.76 114.58 119.63 1ji6 h GLU 228 Ca 0.01 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1ji6 h GLU 228 Cb 0.88 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1ji6 h GLU 228 CO 0.07 0.91 0.00 0.74 -1.00 0.00 0.00 179.01 179.74 1ji6 h PHE 229 N 1.29 0.17 0.09 4.33 0.05 -1.31 -0.97 116.94 120.59 1ji6 h PHE 229 Ca 0.33 -0.03 0.01 0.00 3.82 0.00 0.00 57.97 62.10 1ji6 h PHE 229 Cb -0.01 -0.05 -0.02 0.00 2.00 0.00 0.00 35.95 37.88 1ji6 h PHE 229 CO 0.01 0.40 -0.13 -0.92 -0.18 0.00 0.00 178.31 177.49 1ji6 h TYR 230 N -0.11 -0.33 -0.56 -0.55 3.20 -1.22 0.33 116.97 117.73 1ji6 h TYR 230 Ca 0.03 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.00 1ji6 h TYR 230 Cb 0.33 0.14 -0.08 0.00 1.54 0.00 0.00 36.73 38.66 1ji6 h TYR 230 CO 0.03 -0.20 0.14 0.45 -1.64 0.00 0.00 178.16 176.94 1ji6 h HIS 231 N -0.26 0.22 -0.87 -3.82 3.86 -1.15 -0.01 115.15 113.12 1ji6 h HIS 231 Ca 0.02 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1ji6 h HIS 231 Cb 0.27 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.69 1ji6 h HIS 231 CO -0.15 0.00 0.48 -0.09 0.86 0.00 0.00 177.93 179.04 1ji6 h ARG 232 N 0.28 1.21 -0.21 2.45 2.43 -0.43 -1.76 114.38 118.35 1ji6 h ARG 232 Ca 0.29 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1ji6 h ARG 232 Cb 0.40 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1ji6 h ARG 232 CO -0.36 0.88 0.12 0.37 -1.51 0.00 0.00 179.97 179.48 1ji6 h GLN 233 N 1.21 0.28 -0.82 0.20 4.15 0.13 -0.14 115.11 120.12 1ji6 h GLN 233 Ca 0.31 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.67 1ji6 h GLN 233 Cb 0.02 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.62 1ji6 h GLN 233 CO -0.05 0.24 0.41 -0.07 -1.93 0.00 0.00 178.83 177.44 1ji6 h LEU 234 N 0.24 1.05 -0.66 -2.39 3.38 -0.79 0.52 115.31 116.67 1ji6 h LEU 234 Ca 0.07 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1ji6 h LEU 234 Cb 0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1ji6 h LEU 234 CO -0.01 0.87 -0.41 0.50 0.09 0.00 0.00 178.44 179.48 1ji6 h LYS 235 N 1.16 0.57 0.12 1.13 3.64 -1.00 -3.00 116.57 119.19 1ji6 h LYS 235 Ca 0.29 -0.29 -0.30 0.00 -1.27 0.00 0.00 60.65 59.07 1ji6 h LYS 235 Cb 0.08 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1ji6 h LYS 235 CO -0.04 0.88 -1.48 -0.07 -2.27 0.00 0.00 179.45 176.47 1ji6 h LEU 236 N 0.47 0.39 -1.21 5.20 3.38 -0.79 -2.32 115.31 120.44 1ji6 h LEU 236 Ca 0.04 -0.52 0.15 0.00 0.09 0.00 0.00 57.88 57.64 1ji6 h LEU 236 Cb 0.91 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 1ji6 h LEU 236 CO 0.08 1.43 0.59 0.74 0.09 0.00 0.00 178.44 181.37 1ji6 h THR 237 N 0.07 0.82 -0.00 0.22 2.02 -0.90 0.40 112.91 115.53 1ji6 h THR 237 Ca -0.22 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 1ji6 h THR 237 Cb 2.01 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1ji6 h THR 237 CO 0.17 0.13 -0.00 -0.61 0.37 0.00 0.00 175.52 175.58 1ji6 h GLN 238 N 0.74 0.00 0.01 6.66 -0.00 -1.58 -2.95 115.11 117.99 1ji6 h GLN 238 Ca 0.48 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 59.13 1ji6 h GLN 238 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.22 1ji6 h GLN 238 CO -0.24 0.67 -0.01 1.96 0.00 0.00 0.00 178.83 181.22 1ji6 h GLN 239 N -0.67 -0.02 -0.81 1.69 4.20 -0.65 -1.27 115.11 117.59 1ji6 h GLN 239 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1ji6 h GLN 239 Cb 0.68 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.42 1ji6 h GLN 239 CO 0.00 0.02 0.49 1.88 -0.67 0.00 0.00 178.83 180.55 1ji6 h TYR 240 N -0.05 1.07 0.50 2.96 0.05 -0.41 -0.64 116.97 120.45 1ji6 h TYR 240 Ca -0.00 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1ji6 h TYR 240 Cb 0.05 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.44 1ji6 h TYR 240 CO -0.07 0.72 -0.24 1.15 -1.05 0.00 0.00 178.16 178.67 1ji6 h THR 241 N 1.11 0.50 -0.86 -2.88 2.02 -1.41 -2.31 112.91 109.08 1ji6 h THR 241 Ca 0.29 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.45 1ji6 h THR 241 Cb -0.04 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 1ji6 h THR 241 CO -0.05 0.01 0.56 0.44 0.37 0.00 0.00 175.52 176.85 1ji6 h ASP 242 N -0.70 0.95 -0.27 4.18 3.32 -1.10 -2.21 116.42 120.59 1ji6 h ASP 242 Ca -0.07 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1ji6 h ASP 242 Cb 0.53 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1ji6 h ASP 242 CO 0.11 0.67 0.11 -0.74 -1.72 0.00 0.00 179.24 177.67 1ji6 h HIS 243 N 1.12 0.19 0.20 4.55 2.76 -0.96 -0.57 115.15 122.44 1ji6 h HIS 243 Ca 0.33 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.51 1ji6 h HIS 243 Cb -0.05 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 28.86 1ji6 h HIS 243 CO -0.02 0.10 -0.09 0.00 -1.30 0.00 0.00 177.93 176.62 1ji6 h VAL 245 N -0.29 1.15 -0.25 0.00 2.07 -1.28 -1.89 116.25 115.76 1ji6 h VAL 245 Ca -0.03 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1ji6 h VAL 245 Cb 0.22 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1ji6 h VAL 245 CO 0.04 0.21 0.14 -1.13 0.02 0.00 0.00 177.57 176.85 1ji6 h ASN 246 N 1.15 0.31 1.42 0.57 -0.73 -0.96 -1.60 115.58 115.74 1ji6 h ASN 246 Ca 0.36 -0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.45 1ji6 h ASN 246 Cb 0.00 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.51 1ji6 h ASN 246 CO -0.12 0.31 0.00 -0.50 -0.37 0.00 0.00 177.43 176.75 1ji6 h TRP 247 N 0.30 0.00 -0.02 0.67 4.06 -1.17 -2.35 115.95 117.44 1ji6 h TRP 247 Ca 0.09 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.92 1ji6 h TRP 247 Cb 0.06 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.23 1ji6 h TRP 247 CO -0.03 0.00 -0.47 -0.92 -3.56 0.00 0.00 178.44 173.45 1ji6 h TYR 248 N 0.00 0.51 -0.73 0.49 3.20 -0.95 -1.47 116.97 118.01 1ji6 h TYR 248 Ca 0.00 -0.26 -0.06 0.00 3.14 0.00 0.00 58.73 61.54 1ji6 h TYR 248 Cb 0.71 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 1ji6 h TYR 248 CO 0.00 1.06 0.21 -0.91 -1.64 0.00 0.00 178.16 176.89 1ji6 h ASN 249 N -0.20 1.07 -0.42 -2.11 2.35 -1.15 0.25 115.58 115.38 1ji6 h ASN 249 Ca -0.05 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.47 1ji6 h ASN 249 Cb 1.18 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.25 1ji6 h ASN 249 CO 0.09 1.00 0.19 0.58 -1.65 0.00 0.00 177.43 177.64 1ji6 h VAL 250 N 1.09 1.18 -0.17 2.81 2.07 -1.40 -0.18 116.25 121.66 1ji6 h VAL 250 Ca 0.23 -0.53 -0.15 0.00 0.82 0.00 0.00 66.70 67.07 1ji6 h VAL 250 Cb 0.32 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1ji6 h VAL 250 CO -0.00 0.20 -0.49 1.23 0.02 0.00 0.00 177.57 178.53 1ji6 h GLY 251 N 0.53 0.69 0.35 2.17 0.00 -0.98 -2.77 103.07 103.05 1ji6 h GLY 251 Ca 0.14 -0.88 0.01 0.00 0.00 0.00 0.00 47.33 46.61 1ji6 h GLY 251 CO -0.02 0.78 -0.42 -2.00 0.00 0.00 0.00 176.54 174.89 1ji6 h LEU 252 N 0.29 -1.22 -1.65 3.11 5.85 -0.35 -1.14 115.31 120.20 1ji6 h LEU 252 Ca -0.01 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1ji6 h LEU 252 Cb 1.11 0.44 0.00 0.00 0.37 0.00 0.00 40.66 42.58 1ji6 h LEU 252 CO 0.10 -0.51 0.00 0.78 -0.34 0.00 0.00 178.44 178.47 1ji6 h ASN 253 N -0.71 0.00 1.29 1.25 4.21 -1.10 -0.54 115.58 119.98 1ji6 h ASN 253 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1ji6 h ASN 253 Cb 0.70 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.90 1ji6 h ASN 253 CO -0.20 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.55 1ji6 n GLY 254 N -0.98 -1.60 1.33 2.83 0.00 -0.44 -2.90 105.19 103.43 1ji6 n GLY 254 Ca -0.01 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1ji6 n GLY 254 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ji6 n LEU 255 N -2.29 3.89 -4.67 0.99 4.77 -0.21 -4.92 117.00 114.56 1ji6 n LEU 255 Ca 0.05 -1.90 -0.43 0.00 -0.03 0.00 0.00 56.01 53.70 1ji6 n LEU 255 Cb 0.38 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1ji6 n LEU 255 CO 0.28 0.95 1.00 -0.13 -1.33 0.00 0.00 177.39 178.16 1ji6 s ARG 256 N -1.10 4.29 0.00 3.23 0.52 -1.14 -4.40 118.95 120.34 1ji6 s ARG 256 Ca 0.47 1.62 0.00 0.00 -0.52 0.00 0.00 55.73 57.30 1ji6 s ARG 256 Cb 0.25 -3.67 0.00 0.00 0.52 0.00 0.00 34.95 32.05 1ji6 s ARG 256 CO 0.33 -0.59 0.00 0.41 0.02 0.00 0.00 175.30 175.47 1ji6 n GLY 257 N 3.47 4.08 0.00 -3.53 0.00 -1.26 -5.09 105.19 102.86 1ji6 n GLY 257 Ca 0.12 -1.54 0.04 0.00 0.00 0.00 0.00 46.02 44.65 1ji6 n GLY 257 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ji6 n SER 258 N -2.14 1.88 -4.87 1.61 3.41 -1.26 -4.75 113.62 107.50 1ji6 n SER 258 Ca 0.00 -0.30 -0.29 0.00 -0.26 0.00 0.00 58.87 58.02 1ji6 n SER 258 Cb 0.00 1.24 0.10 0.00 -0.26 0.00 0.00 64.21 65.28 1ji6 n SER 258 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ji6 s THR 259 N -2.29 2.00 0.19 6.66 2.01 -1.26 0.31 115.64 123.26 1ji6 s THR 259 Ca -0.01 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 1ji6 s THR 259 Cb 0.06 -2.99 -0.05 0.00 0.01 0.00 0.00 72.50 69.53 1ji6 s THR 259 CO 0.37 0.00 1.51 0.22 -0.69 0.00 0.00 174.62 176.03 1ji6 h TYR 260 N -1.10 0.68 -0.19 4.92 3.20 -1.82 -1.28 116.97 121.38 1ji6 h TYR 260 Ca -0.46 -0.24 -0.04 0.00 3.14 0.00 0.00 58.73 61.13 1ji6 h TYR 260 Cb 1.33 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 1ji6 h TYR 260 CO 0.25 0.97 -0.04 0.22 -1.64 0.00 0.00 178.16 177.92 1ji6 h ASP 261 N 0.42 0.37 -1.00 -2.11 3.58 -1.89 -1.16 116.42 114.63 1ji6 h ASP 261 Ca 0.01 -0.36 0.08 0.00 0.42 0.00 0.00 57.03 57.18 1ji6 h ASP 261 Cb 1.08 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.96 1ji6 h ASP 261 CO 0.10 0.65 0.65 0.00 -2.88 0.00 0.00 179.24 177.76 1ji6 h ALA 262 N 0.74 1.44 0.09 -0.78 0.00 -1.88 -2.64 119.26 116.23 1ji6 h ALA 262 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ji6 h ALA 262 Cb 0.48 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ji6 h ALA 262 CO 0.02 0.39 -0.04 2.35 0.00 0.00 0.00 179.25 181.96 1ji6 h TRP 263 N 1.13 -0.11 -0.25 0.00 7.01 -0.88 -1.69 115.95 121.16 1ji6 h TRP 263 Ca 0.45 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.52 1ji6 h TRP 263 Cb 0.25 0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.34 1ji6 h TRP 263 CO -0.00 0.21 0.24 -0.39 -2.79 0.00 0.00 178.44 175.71 1ji6 h VAL 264 N -0.44 0.54 0.20 2.65 -1.51 -0.90 0.26 116.25 117.04 1ji6 h VAL 264 Ca -0.01 0.00 -0.30 0.00 -1.23 0.00 0.00 66.70 65.16 1ji6 h VAL 264 Cb 0.37 0.81 0.02 0.00 -2.13 0.00 0.00 31.29 30.37 1ji6 h VAL 264 CO 0.02 0.00 -1.36 0.11 -1.23 0.00 0.00 177.57 175.11 1ji6 h LYS 265 N 0.00 0.42 -0.62 5.19 1.57 -1.40 -2.72 116.57 119.00 1ji6 h LYS 265 Ca 0.12 -0.71 0.01 0.00 -1.87 0.00 0.00 60.65 58.20 1ji6 h LYS 265 Cb 0.60 0.26 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 1ji6 h LYS 265 CO -0.00 1.34 0.41 0.35 -0.57 0.00 0.00 179.45 180.98 1ji6 h PHE 266 N -0.05 0.77 0.00 -1.35 3.57 -0.17 -2.20 116.94 117.51 1ji6 h PHE 266 Ca -0.25 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1ji6 h PHE 266 Cb 1.97 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 40.45 1ji6 h PHE 266 CO 0.14 0.48 0.00 -0.97 -2.23 0.00 0.00 178.31 175.73 1ji6 h ASN 267 N 0.83 0.00 0.56 0.41 -1.24 -0.64 -2.49 115.58 112.99 1ji6 h ASN 267 Ca 0.23 0.00 -0.29 0.00 0.71 0.00 0.00 56.30 56.96 1ji6 h ASN 267 Cb -0.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 38.98 1ji6 h ASN 267 CO -0.06 0.00 -1.35 -0.09 -1.29 0.00 0.00 177.43 174.64 1ji6 h ARG 268 N 0.00 0.27 -0.13 6.67 2.43 -1.07 -2.33 114.38 120.21 1ji6 h ARG 268 Ca 0.00 -0.47 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 1ji6 h ARG 268 Cb 0.73 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1ji6 h ARG 268 CO 0.00 1.19 -0.04 0.35 -1.51 0.00 0.00 179.97 179.96 1ji6 h PHE 269 N 0.07 0.30 -0.39 2.20 3.57 -1.49 -0.42 116.94 120.79 1ji6 h PHE 269 Ca -0.18 -0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.33 1ji6 h PHE 269 Cb 2.00 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 40.60 1ji6 h PHE 269 CO 0.07 0.57 -0.00 -0.09 -2.23 0.00 0.00 178.31 176.62 1ji6 h ARG 270 N -0.05 0.10 0.51 1.11 2.43 -1.50 0.92 114.38 117.89 1ji6 h ARG 270 Ca 0.03 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1ji6 h ARG 270 Cb 0.48 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1ji6 h ARG 270 CO 0.02 0.06 -0.25 -0.09 -1.51 0.00 0.00 179.97 178.20 1ji6 h ARG 271 N 0.10 -0.66 -0.63 0.20 2.43 -1.26 -2.54 114.38 112.01 1ji6 h ARG 271 Ca 0.19 0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.53 1ji6 h ARG 271 Cb 0.27 0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 29.88 1ji6 h ARG 271 CO -0.33 -0.44 0.12 0.93 -1.51 0.00 0.00 179.97 178.75 1ji6 h GLU 272 N -0.80 0.24 0.00 0.20 5.08 -0.99 0.67 114.58 118.98 1ji6 h GLU 272 Ca -0.07 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1ji6 h GLU 272 Cb 0.53 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1ji6 h GLU 272 CO 0.12 0.16 -0.24 0.52 -1.00 0.00 0.00 179.01 178.56 1ji6 h MET 273 N 0.24 0.00 -0.02 2.33 2.86 -0.89 -1.58 114.93 117.88 1ji6 h MET 273 Ca 0.34 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.97 1ji6 h MET 273 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1ji6 h MET 273 CO -0.44 0.24 -0.04 1.15 1.06 0.00 0.00 176.91 178.88 1ji6 h THR 274 N 0.00 1.46 -0.32 2.22 2.02 -0.48 0.17 112.91 117.98 1ji6 h THR 274 Ca -0.00 -1.42 -0.04 0.00 0.77 0.00 0.00 66.41 65.72 1ji6 h THR 274 Cb 0.54 2.38 -0.02 0.00 -1.74 0.00 0.00 68.15 69.32 1ji6 h THR 274 CO 0.03 0.37 0.04 -0.07 0.37 0.00 0.00 175.52 176.27 1ji6 h LEU 275 N -0.52 0.43 0.00 2.58 3.38 -0.97 0.13 115.31 120.34 1ji6 h LEU 275 Ca -0.00 -0.06 -0.29 0.00 0.09 0.00 0.00 57.88 57.61 1ji6 h LEU 275 Cb 0.63 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1ji6 h LEU 275 CO 0.01 0.47 -1.89 0.41 0.09 0.00 0.00 178.44 177.53 1ji6 n THR 276 N -4.33 1.45 0.03 0.22 -1.04 -0.61 -4.26 114.28 105.74 1ji6 n THR 276 Ca 0.01 -0.80 0.00 0.00 -2.04 0.00 0.00 64.05 61.23 1ji6 n THR 276 Cb 0.20 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.92 1ji6 n THR 276 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1ji6 n VAL 277 N -2.91 0.47 -0.32 12.58 0.31 0.57 -4.66 118.33 124.37 1ji6 n VAL 277 Ca -0.21 0.16 0.10 0.00 -0.01 0.00 0.00 64.34 64.38 1ji6 n VAL 277 Cb 1.05 -1.10 0.28 0.00 -0.91 0.00 0.00 33.84 33.15 1ji6 n VAL 277 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1ji6 h LEU 278 N 0.00 0.57 -1.85 7.52 3.38 -1.44 0.24 115.31 123.72 1ji6 h LEU 278 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ji6 h LEU 278 Cb 0.00 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1ji6 h LEU 278 CO 0.00 0.19 0.00 0.44 0.09 0.00 0.00 178.44 179.16 1ji6 h ASP 279 N 0.61 0.00 0.05 -0.43 5.19 -1.00 -3.03 116.42 117.82 1ji6 h ASP 279 Ca 0.52 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.66 1ji6 h ASP 279 Cb 0.83 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.31 1ji6 h ASP 279 CO -0.41 0.00 -1.50 0.25 -3.12 0.00 0.00 179.24 174.46 1ji6 h LEU 280 N 0.00 0.16 -1.98 1.55 5.85 -0.84 -3.38 115.31 116.67 1ji6 h LEU 280 Ca 0.00 -0.67 0.18 0.00 0.84 0.00 0.00 57.88 58.23 1ji6 h LEU 280 Cb 0.35 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1ji6 h LEU 280 CO 0.00 1.62 0.51 0.40 -0.34 0.00 0.00 178.44 180.63 1ji6 h ILE 281 N -0.62 0.53 0.00 4.05 5.03 -1.04 -0.96 117.51 124.51 1ji6 h ILE 281 Ca -0.37 0.00 -0.08 0.00 -0.12 0.00 0.00 64.86 64.29 1ji6 h ILE 281 Cb 1.57 0.63 -0.01 0.00 -3.03 0.00 0.00 36.82 35.97 1ji6 h ILE 281 CO -0.10 0.00 -0.38 0.58 -0.68 0.00 0.00 178.15 177.57 1ji6 h VAL 282 N 0.00 1.15 0.00 1.67 2.07 -1.71 -3.15 116.25 116.28 1ji6 h VAL 282 Ca 0.30 -1.35 -0.13 0.00 0.82 0.00 0.00 66.70 66.34 1ji6 h VAL 282 Cb 1.33 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 1ji6 h VAL 282 CO -0.00 0.37 -0.60 -0.07 0.02 0.00 0.00 177.57 177.29 1ji6 h LEU 283 N 0.00 0.00 -0.96 2.57 3.38 -1.39 -3.38 115.31 115.54 1ji6 h LEU 283 Ca -0.00 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.22 1ji6 h LEU 283 Cb 0.72 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.30 1ji6 h LEU 283 CO 0.05 0.60 0.01 -0.26 0.09 0.00 0.00 178.44 178.93 1ji6 h PHE 284 N 0.00 -0.07 -0.04 1.13 -1.00 -1.62 -0.95 116.94 114.38 1ji6 h PHE 284 Ca -0.01 0.07 0.01 0.00 2.81 0.00 0.00 57.97 60.85 1ji6 h PHE 284 Cb 1.36 0.19 -0.00 0.00 3.61 0.00 0.00 35.95 41.10 1ji6 h PHE 284 CO 0.00 -0.40 0.13 -1.35 -1.61 0.00 0.00 178.31 175.08 1ji6 h PRO 285 N 0.03 0.00 -0.10 1.51 0.11 -1.82 -1.96 132.00 129.77 1ji6 h PRO 285 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1ji6 h PRO 285 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ji6 h PRO 285 CO -0.89 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.09 1ji6 n PHE 286 N -3.24 0.14 0.68 0.65 3.72 -0.36 -2.75 117.46 116.30 1ji6 n PHE 286 Ca -0.02 -0.07 0.12 0.00 -0.05 0.00 0.00 57.45 57.43 1ji6 n PHE 286 Cb 0.20 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 38.91 1ji6 n PHE 286 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1ji6 n TYR 287 N -0.20 0.36 -2.39 1.38 4.01 -0.73 -4.48 117.16 115.10 1ji6 n TYR 287 Ca 0.11 0.10 -0.37 0.00 -0.16 0.00 0.00 57.90 57.58 1ji6 n TYR 287 Cb 0.16 -0.51 -0.02 0.00 -0.31 0.00 0.00 39.34 38.65 1ji6 n TYR 287 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ji6 s ASP 288 N -3.84 6.17 0.00 7.72 3.68 -1.11 -4.73 116.67 124.56 1ji6 s ASP 288 Ca 0.07 -2.06 0.07 0.00 2.13 0.00 0.00 52.55 52.76 1ji6 s ASP 288 Cb 0.15 -2.58 0.40 0.00 -1.45 0.00 0.00 42.92 39.43 1ji6 s ASP 288 CO 0.73 -1.87 0.80 2.30 0.13 0.00 0.00 175.17 177.26 1ji6 n ILE 289 N 6.94 0.00 -0.08 4.11 -6.64 -1.26 -1.40 119.36 121.03 1ji6 n ILE 289 Ca 0.46 0.00 -0.19 0.00 -1.77 0.00 0.00 62.75 61.25 1ji6 n ILE 289 Cb 0.47 -0.69 -0.13 0.00 -1.44 0.00 0.00 39.64 37.85 1ji6 n ILE 289 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 1ji6 n ARG 290 N -0.84 0.69 0.09 6.28 1.74 -1.26 -2.83 116.66 120.52 1ji6 n ARG 290 Ca 0.05 0.19 -0.03 0.00 -0.77 0.00 0.00 57.85 57.29 1ji6 n ARG 290 Cb 0.02 -1.58 -0.05 0.00 -1.02 0.00 0.00 32.46 29.83 1ji6 n ARG 290 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1ji6 h LEU 291 N 0.02 0.00 -6.13 0.55 5.85 -1.76 -3.34 115.31 110.50 1ji6 h LEU 291 Ca -0.53 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 57.61 1ji6 h LEU 291 Cb 1.95 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 42.57 1ji6 h LEU 291 CO -0.03 0.80 -0.88 -1.22 -0.34 0.00 0.00 178.44 176.77 1ji6 n TYR 292 N -3.33 1.35 0.71 1.25 4.02 -0.49 -4.94 117.16 115.73 1ji6 n TYR 292 Ca 0.01 -3.81 0.13 0.00 -0.01 0.00 0.00 57.90 54.21 1ji6 n TYR 292 Cb 0.85 -0.41 0.46 0.00 -0.02 0.00 0.00 39.34 40.21 1ji6 n TYR 292 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1ji6 n SER 293 N 1.27 0.62 -0.35 7.72 3.41 -1.13 -4.04 113.62 121.13 1ji6 n SER 293 Ca 0.25 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.54 1ji6 n SER 293 Cb 0.47 -0.73 0.22 0.00 -0.26 0.00 0.00 64.21 63.91 1ji6 n SER 293 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ji6 n LYS 294 N -2.09 0.98 0.00 4.33 5.02 -1.26 -3.59 118.16 121.56 1ji6 n LYS 294 Ca 0.06 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.65 1ji6 n LYS 294 Cb 0.41 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1ji6 n LYS 294 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ji6 n GLY 295 N 1.37 2.56 2.95 0.72 0.00 -1.26 -4.30 105.19 107.24 1ji6 n GLY 295 Ca 0.11 -1.87 -0.21 0.00 0.00 0.00 0.00 46.02 44.04 1ji6 n GLY 295 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ji6 s VAL 296 N -2.71 0.75 -0.41 1.61 1.01 0.76 -2.29 120.40 119.12 1ji6 s VAL 296 Ca 0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 1ji6 s VAL 296 Cb 0.00 -0.72 0.08 0.00 0.00 0.00 0.00 36.38 35.74 1ji6 s VAL 296 CO 0.00 0.26 0.24 -0.75 0.00 0.00 0.00 175.10 174.85 1ji6 s LYS 297 N 0.66 2.49 0.33 2.72 2.20 0.75 -3.57 119.74 125.32 1ji6 s LYS 297 Ca -0.11 -1.52 0.05 0.00 -0.36 0.00 0.00 55.97 54.03 1ji6 s LYS 297 Cb -0.13 -3.71 -0.02 0.00 -1.51 0.00 0.00 37.83 32.45 1ji6 s LYS 297 CO 0.01 -0.96 0.17 -2.37 -0.36 0.00 0.00 175.35 171.84 1ji6 n THR 298 N 4.85 0.00 -3.56 3.43 5.66 -1.26 -0.71 114.28 122.69 1ji6 n THR 298 Ca -0.09 -2.09 -0.14 0.00 -3.05 0.00 0.00 64.05 58.68 1ji6 n THR 298 Cb 0.43 0.86 -0.05 0.00 -1.55 0.00 0.00 70.33 70.01 1ji6 n THR 298 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1ji6 s GLU 299 N -3.29 1.04 -0.29 1.09 -1.05 -1.26 -4.94 118.70 110.00 1ji6 s GLU 299 Ca 0.24 -0.19 -0.14 0.00 -0.15 0.00 0.00 54.97 54.72 1ji6 s GLU 299 Cb 0.01 0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 34.15 1ji6 s GLU 299 CO 0.17 -0.38 0.34 -0.51 0.95 0.00 0.00 175.26 175.83 1ji6 s LEU 300 N -1.91 4.16 0.00 1.83 1.43 -1.26 -4.98 118.68 117.94 1ji6 s LEU 300 Ca -0.06 0.08 0.22 0.00 -1.03 0.00 0.00 54.13 53.34 1ji6 s LEU 300 Cb -0.01 -2.35 0.17 0.00 0.03 0.00 0.00 46.19 44.03 1ji6 s LEU 300 CO -0.01 -0.21 1.19 0.35 0.23 0.00 0.00 176.35 177.90 1ji6 n THR 301 N 5.15 0.00 -1.74 5.49 -2.24 -0.71 -4.28 114.28 115.95 1ji6 n THR 301 Ca -0.09 -0.49 -0.33 0.00 -2.27 0.00 0.00 64.05 60.87 1ji6 n THR 301 Cb 0.50 1.45 0.05 0.00 -2.10 0.00 0.00 70.33 70.23 1ji6 n THR 301 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ji6 s ARG 302 N -1.86 2.83 0.41 -0.78 3.03 -0.65 -4.86 118.95 117.05 1ji6 s ARG 302 Ca 0.25 1.31 -0.19 0.00 2.03 0.00 0.00 55.73 59.14 1ji6 s ARG 302 Cb 0.18 -1.96 -0.10 0.00 -1.03 0.00 0.00 34.95 32.04 1ji6 s ARG 302 CO 0.29 -1.22 0.89 -0.51 -1.13 0.00 0.00 175.30 173.61 1ji6 s ASP 303 N -2.76 6.85 -0.05 -2.89 1.01 -1.26 -4.41 116.67 113.15 1ji6 s ASP 303 Ca 0.65 1.54 0.01 0.00 0.71 0.00 0.00 52.55 55.47 1ji6 s ASP 303 Cb -0.19 -2.48 0.02 0.00 1.01 0.00 0.00 42.92 41.28 1ji6 s ASP 303 CO 0.43 -0.34 -0.05 -0.63 0.21 0.00 0.00 175.17 174.79 1ji6 s ILE 304 N -2.17 0.62 -0.35 0.77 -1.09 -0.36 -4.96 121.20 113.67 1ji6 s ILE 304 Ca 0.59 -0.17 -0.10 0.00 -2.23 0.00 0.00 60.65 58.74 1ji6 s ILE 304 Cb -0.09 -0.64 0.01 0.00 -1.58 0.00 0.00 42.46 40.16 1ji6 s ILE 304 CO 0.16 0.25 0.18 -0.36 -1.23 0.00 0.00 174.94 173.94 1ji6 s PHE 305 N 0.92 3.22 0.81 3.97 0.40 -1.26 -0.44 117.98 125.60 1ji6 s PHE 305 Ca -0.11 -0.81 -0.11 0.00 -0.60 0.00 0.00 56.93 55.30 1ji6 s PHE 305 Cb -0.14 -2.40 0.08 0.00 0.51 0.00 0.00 43.02 41.06 1ji6 s PHE 305 CO 0.00 -0.57 1.09 0.95 0.70 0.00 0.00 175.22 177.39 1ji6 s THR 306 N 1.58 3.09 0.85 0.64 -4.23 -1.22 -4.84 115.64 111.50 1ji6 s THR 306 Ca 0.03 0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 60.79 1ji6 s THR 306 Cb -0.18 -2.98 0.10 0.00 1.34 0.00 0.00 72.50 70.78 1ji6 s THR 306 CO 0.06 -0.46 1.10 -1.81 -0.54 0.00 0.00 174.62 172.97 1ji6 s ASP 307 N -3.66 3.79 0.30 3.99 1.01 -1.26 -4.60 116.67 116.24 1ji6 s ASP 307 Ca 0.61 1.83 -0.28 0.00 0.71 0.00 0.00 52.55 55.41 1ji6 s ASP 307 Cb -0.16 -2.45 -0.14 0.00 1.01 0.00 0.00 42.92 41.18 1ji6 s ASP 307 CO 0.55 -2.49 1.12 -2.65 0.21 0.00 0.00 175.17 171.91 1ji6 n PRO 308 N -3.82 1.60 -0.47 8.23 -0.02 -1.26 -4.76 135.00 134.51 1ji6 n PRO 308 Ca 0.09 0.56 0.40 0.00 -2.02 0.00 0.00 63.50 62.53 1ji6 n PRO 308 Cb 0.53 -2.01 0.72 0.00 -0.02 0.00 0.00 33.50 32.72 1ji6 n PRO 308 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1ji6 h ILE 309 N 2.23 0.22 -3.75 4.25 2.04 -1.75 -3.42 117.51 117.34 1ji6 h ILE 309 Ca -0.42 -0.02 -0.15 0.00 1.00 0.00 0.00 64.86 65.27 1ji6 h ILE 309 Cb 1.32 0.15 -0.20 0.00 -0.74 0.00 0.00 36.82 37.35 1ji6 h ILE 309 CO 0.62 0.01 -0.56 0.72 0.00 0.00 0.00 178.15 178.94 1ji6 s PHE 310 N -5.08 0.17 -0.24 1.37 -0.12 -1.26 -2.92 117.98 109.88 1ji6 s PHE 310 Ca -0.06 -0.39 -0.22 0.00 -0.05 0.00 0.00 56.93 56.21 1ji6 s PHE 310 Cb 0.26 -0.13 -0.01 0.00 -0.63 0.00 0.00 43.02 42.51 1ji6 s PHE 310 CO 0.84 -0.29 0.73 -1.54 -0.05 0.00 0.00 175.22 174.91 1ji6 s SER 311 N -1.68 6.71 -1.19 1.98 1.04 -1.26 -4.97 113.70 114.32 1ji6 s SER 311 Ca -0.11 0.88 -0.21 0.00 0.48 0.00 0.00 55.95 56.99 1ji6 s SER 311 Cb -0.06 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 1ji6 s SER 311 CO -0.01 -0.44 1.89 0.18 0.98 0.00 0.00 173.24 175.84 1ji6 n LEU 312 N 5.81 4.03 0.00 2.42 4.77 -1.26 -4.86 117.00 127.91 1ji6 n LEU 312 Ca 0.02 -3.45 0.00 0.00 -0.03 0.00 0.00 56.01 52.56 1ji6 n LEU 312 Cb 0.48 -1.67 0.00 0.00 -2.33 0.00 0.00 43.42 39.90 1ji6 n LEU 312 CO 0.45 -0.84 0.19 -0.46 -1.33 0.00 0.00 177.39 175.39 1ji6 n ASN 313 N 11.17 0.00 0.17 -1.43 0.23 -1.26 0.91 115.26 125.05 1ji6 n ASN 313 Ca 0.47 0.37 0.13 0.00 -0.53 0.00 0.00 54.58 55.03 1ji6 n ASN 313 Cb 0.45 0.00 0.41 0.00 -2.08 0.00 0.00 39.78 38.56 1ji6 n ASN 313 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1ji6 h THR 314 N 0.00 0.00 -0.01 5.53 2.02 -2.01 -3.14 112.91 115.31 1ji6 h THR 314 Ca 0.00 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1ji6 h THR 314 Cb 0.00 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1ji6 h THR 314 CO 0.00 0.00 -0.13 0.18 0.37 0.00 0.00 175.52 175.94 1ji6 n LEU 315 N -2.62 0.69 -0.33 2.58 4.77 -1.17 -4.41 117.00 116.50 1ji6 n LEU 315 Ca 0.04 -0.11 0.20 0.00 -0.03 0.00 0.00 56.01 56.11 1ji6 n LEU 315 Cb 0.39 -0.14 0.39 0.00 -2.33 0.00 0.00 43.42 41.73 1ji6 n LEU 315 CO 0.29 0.13 0.90 -0.61 -1.33 0.00 0.00 177.39 176.76 1ji6 h GLN 316 N 0.88 0.03 0.00 3.23 5.75 0.58 0.58 115.11 126.16 1ji6 h GLN 316 Ca 0.00 -0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1ji6 h GLN 316 Cb 0.39 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 1ji6 h GLN 316 CO 0.00 0.02 -0.17 0.93 -2.65 0.00 0.00 178.83 176.96 1ji6 h GLU 317 N 0.03 0.00 -0.24 1.69 3.07 -1.85 -2.76 114.58 114.53 1ji6 h GLU 317 Ca 0.68 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.54 1ji6 h GLU 317 Cb 1.55 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.46 1ji6 h GLU 317 CO -0.84 0.17 0.00 0.66 -1.40 0.00 0.00 179.01 177.60 1ji6 n TYR 318 N -4.21 0.31 -1.89 4.33 4.02 0.20 -4.93 117.16 114.99 1ji6 n TYR 318 Ca -0.02 -0.16 -0.31 0.00 -0.01 0.00 0.00 57.90 57.40 1ji6 n TYR 318 Cb 0.24 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.58 1ji6 n TYR 318 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1ji6 s GLY 319 N -1.16 1.80 0.43 2.72 0.00 -1.04 -0.98 107.32 109.09 1ji6 s GLY 319 Ca 0.22 0.09 -0.25 0.00 0.00 0.00 0.00 44.72 44.77 1ji6 s GLY 319 CO 0.16 0.38 1.26 -1.55 0.00 0.00 0.00 173.10 173.35 1ji6 n PRO 320 N -2.57 1.89 -0.94 2.90 -0.04 -1.26 -4.63 135.00 130.35 1ji6 n PRO 320 Ca 0.07 0.67 -0.31 0.00 -0.04 0.00 0.00 63.50 63.89 1ji6 n PRO 320 Cb 0.54 -2.38 0.14 0.00 -0.04 0.00 0.00 33.50 31.76 1ji6 n PRO 320 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ji6 s THR 321 N -1.21 2.60 0.08 0.52 -4.23 -1.26 -3.74 115.64 108.40 1ji6 s THR 321 Ca 0.62 0.19 -0.23 0.00 -1.18 0.00 0.00 61.69 61.09 1ji6 s THR 321 Cb -0.50 -2.43 -0.09 0.00 1.34 0.00 0.00 72.50 70.82 1ji6 s THR 321 CO 0.57 -0.25 1.38 0.15 -0.54 0.00 0.00 174.62 175.93 1ji6 h PHE 322 N -1.59 -1.09 -0.54 3.99 3.57 -0.14 -2.18 116.94 118.96 1ji6 h PHE 322 Ca -0.44 0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.20 1ji6 h PHE 322 Cb 1.26 0.48 -0.09 0.00 2.79 0.00 0.00 35.95 40.39 1ji6 h PHE 322 CO 0.52 -0.39 0.01 -0.07 -2.23 0.00 0.00 178.31 176.15 1ji6 h LEU 323 N -0.44 -0.22 -2.23 0.59 3.38 -1.86 0.15 115.31 114.68 1ji6 h LEU 323 Ca 0.01 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1ji6 h LEU 323 Cb 0.48 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1ji6 h LEU 323 CO -0.26 -0.08 -0.05 0.77 0.09 0.00 0.00 178.44 178.90 1ji6 h SER 324 N 0.13 0.00 0.02 -0.43 4.64 -1.88 0.63 113.55 116.66 1ji6 h SER 324 Ca 0.28 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.49 1ji6 h SER 324 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1ji6 h SER 324 CO -0.45 0.05 -0.57 0.40 -0.87 0.00 0.00 176.83 175.39 1ji6 h ILE 325 N 0.00 1.44 0.00 0.95 2.04 -0.29 -2.93 117.51 118.72 1ji6 h ILE 325 Ca -0.00 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.55 1ji6 h ILE 325 Cb 0.21 2.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 1ji6 h ILE 325 CO 0.01 0.53 0.00 -0.62 0.00 0.00 0.00 178.15 178.07 1ji6 n GLU 326 N -4.46 0.13 0.00 2.37 -0.58 0.30 -1.83 120.64 116.57 1ji6 n GLU 326 Ca -0.18 0.29 0.08 0.00 -0.42 0.00 0.00 57.16 56.92 1ji6 n GLU 326 Cb 0.60 -1.71 0.02 0.00 -0.57 0.00 0.00 31.44 29.78 1ji6 n GLU 326 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ji6 n ASN 327 N -1.95 1.88 -0.04 1.62 5.03 0.22 -4.40 115.26 117.62 1ji6 n ASN 327 Ca 0.04 -1.44 -0.01 0.00 0.87 0.00 0.00 54.58 54.03 1ji6 n ASN 327 Cb 0.26 0.32 -0.09 0.00 -1.02 0.00 0.00 39.78 39.25 1ji6 n ASN 327 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1ji6 n SER 328 N 0.22 2.13 -4.74 6.41 2.88 -1.07 -4.98 113.62 114.47 1ji6 n SER 328 Ca 0.08 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.25 1ji6 n SER 328 Cb 0.37 1.07 0.06 0.00 -0.75 0.00 0.00 64.21 64.96 1ji6 n SER 328 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1ji6 s ILE 329 N -2.49 2.12 0.11 2.46 -1.09 -0.76 -4.91 121.20 116.64 1ji6 s ILE 329 Ca -0.05 0.08 -0.31 0.00 -2.23 0.00 0.00 60.65 58.13 1ji6 s ILE 329 Cb 0.05 -3.03 -0.09 0.00 -1.58 0.00 0.00 42.46 37.81 1ji6 s ILE 329 CO 0.49 -0.02 1.68 -0.60 -1.23 0.00 0.00 174.94 175.27 1ji6 s ARG 330 N -3.33 4.18 0.92 2.79 3.52 -1.26 -5.02 118.95 120.75 1ji6 s ARG 330 Ca 0.81 2.42 -0.14 0.00 -0.13 0.00 0.00 55.73 58.68 1ji6 s ARG 330 Cb -0.37 -3.47 0.15 0.00 -1.56 0.00 0.00 34.95 29.71 1ji6 s ARG 330 CO 0.39 -0.73 1.22 -1.59 -0.81 0.00 0.00 175.30 173.78 1ji6 s LYS 331 N 2.25 1.03 0.14 5.12 -2.85 -1.26 -4.96 119.74 119.21 1ji6 s LYS 331 Ca 0.75 -0.06 -0.34 0.00 -1.00 0.00 0.00 55.97 55.31 1ji6 s LYS 331 Cb -0.43 -1.86 -0.16 0.00 -2.06 0.00 0.00 37.83 33.33 1ji6 s LYS 331 CO 0.33 -2.21 1.32 -0.35 0.10 0.00 0.00 175.35 174.54 1ji6 n PRO 332 N -3.70 1.39 -4.10 1.78 -0.04 -1.26 -4.98 135.00 124.09 1ji6 n PRO 332 Ca 0.11 0.50 -0.12 0.00 -0.04 0.00 0.00 63.50 63.94 1ji6 n PRO 332 Cb 0.60 -2.11 -0.06 0.00 -0.04 0.00 0.00 33.50 31.88 1ji6 n PRO 332 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1ji6 s HIS 333 N 0.28 0.86 0.46 0.54 -3.43 -1.26 -4.67 115.29 108.06 1ji6 s HIS 333 Ca 0.78 -1.12 -0.22 0.00 -0.80 0.00 0.00 55.06 53.70 1ji6 s HIS 333 Cb -0.85 -0.15 -0.08 0.00 -1.43 0.00 0.00 32.58 30.07 1ji6 s HIS 333 CO 0.47 -0.92 1.09 -0.51 -2.00 0.00 0.00 174.74 172.87 1ji6 s LEU 334 N -3.14 3.97 0.24 5.38 1.43 -1.26 -4.94 118.68 120.36 1ji6 s LEU 334 Ca 0.30 2.09 -0.31 0.00 -1.03 0.00 0.00 54.13 55.18 1ji6 s LEU 334 Cb 0.02 -4.36 -0.12 0.00 0.03 0.00 0.00 46.19 41.76 1ji6 s LEU 334 CO 0.14 -0.78 1.69 0.12 0.23 0.00 0.00 176.35 177.75 1ji6 s PHE 335 N -1.73 2.85 0.24 0.29 5.36 0.04 -4.97 117.98 120.06 1ji6 s PHE 335 Ca 0.64 0.46 0.01 0.00 -0.96 0.00 0.00 56.93 57.08 1ji6 s PHE 335 Cb -0.22 -4.13 -0.04 0.00 -0.34 0.00 0.00 43.02 38.28 1ji6 s PHE 335 CO 0.27 -4.14 0.14 0.16 -1.46 0.00 0.00 175.22 170.19 1ji6 s ASP 336 N 0.97 0.77 0.21 6.13 1.47 -1.26 -3.22 116.67 121.75 1ji6 s ASP 336 Ca 0.71 -1.45 0.10 0.00 1.18 0.00 0.00 52.55 53.10 1ji6 s ASP 336 Cb -0.49 0.34 -0.05 0.00 -0.34 0.00 0.00 42.92 42.38 1ji6 s ASP 336 CO 0.37 -0.84 -0.20 -0.31 0.68 0.00 0.00 175.17 174.87 1ji6 s TYR 337 N -3.91 2.09 0.18 2.11 1.51 0.00 -4.92 117.35 114.42 1ji6 s TYR 337 Ca 0.38 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.73 1ji6 s TYR 337 Cb 0.06 -0.99 -0.08 0.00 -0.11 0.00 0.00 41.96 40.85 1ji6 s TYR 337 CO 0.15 0.51 1.21 -1.17 -1.11 0.00 0.00 175.55 175.14 1ji6 s LEU 338 N -3.02 4.44 -0.14 -1.29 2.96 -1.26 -1.11 118.68 119.26 1ji6 s LEU 338 Ca 0.23 2.25 -0.07 0.00 -0.22 0.00 0.00 54.13 56.31 1ji6 s LEU 338 Cb -0.05 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 42.97 1ji6 s LEU 338 CO 0.10 -0.40 -0.19 0.00 -1.32 0.00 0.00 176.35 174.54 1ji6 n GLN 339 N 2.61 0.30 -3.67 1.98 1.13 0.16 -4.50 117.38 115.40 1ji6 n GLN 339 Ca 0.05 0.13 -0.04 0.00 -1.94 0.00 0.00 57.00 55.20 1ji6 n GLN 339 Cb 0.44 -1.01 -0.01 0.00 0.11 0.00 0.00 30.24 29.77 1ji6 n GLN 339 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1ji6 s GLY 340 N -5.19 -0.32 -0.05 1.08 0.00 -1.00 0.18 107.32 102.02 1ji6 s GLY 340 Ca -0.20 0.47 0.03 0.00 0.00 0.00 0.00 44.72 45.03 1ji6 s GLY 340 CO 0.25 0.12 -0.14 -0.42 0.00 0.00 0.00 173.10 172.91 1ji6 s ILE 341 N -3.14 1.23 -0.43 0.90 1.01 0.12 -1.25 121.20 119.64 1ji6 s ILE 341 Ca 0.10 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 1ji6 s ILE 341 Cb -0.01 -1.08 0.10 0.00 0.01 0.00 0.00 42.46 41.48 1ji6 s ILE 341 CO -0.02 0.37 0.27 -0.70 0.00 0.00 0.00 174.94 174.86 1ji6 s GLU 342 N 0.30 2.42 0.03 2.79 2.12 -0.66 -0.77 118.70 124.92 1ji6 s GLU 342 Ca -0.08 -1.64 -0.30 0.00 0.36 0.00 0.00 54.97 53.31 1ji6 s GLU 342 Cb -0.13 -3.76 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 1ji6 s GLU 342 CO 0.03 -1.05 1.07 -0.06 -0.54 0.00 0.00 175.26 174.71 1ji6 s PHE 343 N 1.33 3.57 -0.16 5.30 0.40 0.20 -2.63 117.98 125.99 1ji6 s PHE 343 Ca 0.05 1.53 -0.03 0.00 -0.60 0.00 0.00 56.93 57.88 1ji6 s PHE 343 Cb -0.24 -3.25 -0.02 0.00 0.51 0.00 0.00 43.02 40.02 1ji6 s PHE 343 CO -0.00 -0.56 -0.06 -1.01 0.70 0.00 0.00 175.22 174.29 1ji6 s HIS 344 N 1.01 2.95 0.03 0.36 3.76 -0.19 -1.64 115.29 121.58 1ji6 s HIS 344 Ca 0.55 -0.51 0.06 0.00 -0.15 0.00 0.00 55.06 55.00 1ji6 s HIS 344 Cb -0.25 -1.96 -0.03 0.00 1.11 0.00 0.00 32.58 31.45 1ji6 s HIS 344 CO 0.29 -0.19 -0.14 0.99 -0.85 0.00 0.00 174.74 174.84 1ji6 s THR 345 N 0.59 3.06 0.07 1.30 2.01 -1.26 -0.59 115.64 120.83 1ji6 s THR 345 Ca -0.04 -1.05 -0.03 0.00 0.31 0.00 0.00 61.69 60.88 1ji6 s THR 345 Cb -0.15 -2.31 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 1ji6 s THR 345 CO 0.03 0.36 0.05 -0.13 -0.69 0.00 0.00 174.62 174.23 1ji6 s ARG 346 N -1.43 0.73 0.17 4.92 0.52 -0.48 -0.05 118.95 123.32 1ji6 s ARG 346 Ca 0.15 -1.18 -0.18 0.00 -0.52 0.00 0.00 55.73 54.01 1ji6 s ARG 346 Cb -0.11 0.25 -0.07 0.00 0.52 0.00 0.00 34.95 35.54 1ji6 s ARG 346 CO 0.06 -0.18 0.64 -1.17 0.02 0.00 0.00 175.30 174.67 1ji6 s LEU 347 N -2.92 4.39 -0.32 2.53 2.96 -1.26 -0.61 118.68 123.45 1ji6 s LEU 347 Ca 0.09 1.29 -0.00 0.00 -0.22 0.00 0.00 54.13 55.28 1ji6 s LEU 347 Cb 0.07 -3.33 0.07 0.00 0.50 0.00 0.00 46.19 43.50 1ji6 s LEU 347 CO -0.09 0.11 0.03 -1.58 -1.32 0.00 0.00 176.35 173.51 1ji6 s GLN 348 N -1.76 2.18 0.17 1.98 2.00 0.37 -4.92 119.66 119.68 1ji6 s GLN 348 Ca 0.38 -1.48 -0.30 0.00 -2.00 0.00 0.00 55.36 51.96 1ji6 s GLN 348 Cb -0.17 -3.22 -0.07 0.00 0.80 0.00 0.00 33.01 30.35 1ji6 s GLN 348 CO 0.20 -0.75 0.99 -1.25 -0.50 0.00 0.00 175.29 173.98 1ji6 s PRO 349 N 1.16 4.72 0.29 1.67 0.04 -1.26 -0.32 135.00 141.30 1ji6 s PRO 349 Ca -0.01 1.53 -0.12 0.00 0.04 0.00 0.00 61.00 62.45 1ji6 s PRO 349 Cb -0.20 -3.32 -0.08 0.00 0.04 0.00 0.00 34.50 30.94 1ji6 s PRO 349 CO -0.03 0.27 0.65 0.20 0.04 0.00 0.00 177.00 178.14 1ji6 s GLY 350 N -0.40 2.24 0.35 0.56 0.00 -1.25 -4.87 107.32 103.93 1ji6 s GLY 350 Ca 0.46 -0.15 0.08 0.00 0.00 0.00 0.00 44.72 45.11 1ji6 s GLY 350 CO 0.32 0.02 1.86 -1.82 0.00 0.00 0.00 173.10 173.48 1ji6 h TYR 351 N 2.21 0.87 -0.54 1.90 3.20 -1.88 -1.01 116.97 121.72 1ji6 h TYR 351 Ca -0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1ji6 h TYR 351 Cb 1.17 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.17 1ji6 h TYR 351 CO 0.61 0.31 0.00 1.19 -1.64 0.00 0.00 178.16 178.63 1ji6 n PHE 352 N -4.58 0.71 0.00 -3.82 3.01 -1.26 -4.98 117.46 106.54 1ji6 n PHE 352 Ca 0.18 -0.36 0.00 0.00 1.01 0.00 0.00 57.45 58.29 1ji6 n PHE 352 Cb 0.47 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 1ji6 n PHE 352 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ji6 n GLY 353 N 1.41 0.71 0.22 1.37 0.00 -0.38 -4.48 105.19 104.04 1ji6 n GLY 353 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1ji6 n GLY 353 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ji6 h LYS 354 N 0.00 0.00 -0.95 1.61 3.64 -1.94 -3.26 116.57 115.68 1ji6 h LYS 354 Ca 0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 1ji6 h LYS 354 Cb 0.00 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 31.53 1ji6 h LYS 354 CO 0.00 0.02 0.63 -0.40 -2.27 0.00 0.00 179.45 177.43 1ji6 n ASP 355 N -3.11 4.50 -4.90 4.20 3.85 -1.26 -4.97 116.55 114.86 1ji6 n ASP 355 Ca 0.03 -3.67 -0.28 0.00 -0.71 0.00 0.00 54.79 50.16 1ji6 n ASP 355 Cb 0.51 -0.85 -0.03 0.00 -1.35 0.00 0.00 41.12 39.40 1ji6 n ASP 355 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 1ji6 s SER 356 N -1.54 6.44 0.04 -1.12 0.01 -1.23 -3.86 113.70 112.44 1ji6 s SER 356 Ca 0.58 0.72 -0.07 0.00 1.31 0.00 0.00 55.95 58.49 1ji6 s SER 356 Cb 0.48 -2.15 -0.01 0.00 0.21 0.00 0.00 66.02 64.56 1ji6 s SER 356 CO 0.07 -0.21 0.12 0.72 0.41 0.00 0.00 173.24 174.36 1ji6 s PHE 357 N -2.11 0.17 0.12 2.43 -0.12 0.56 -4.66 117.98 114.37 1ji6 s PHE 357 Ca 0.44 -0.47 -0.11 0.00 -0.05 0.00 0.00 56.93 56.73 1ji6 s PHE 357 Cb -0.11 -0.12 -0.06 0.00 -0.63 0.00 0.00 43.02 42.10 1ji6 s PHE 357 CO 0.30 -0.40 0.47 -0.80 -0.05 0.00 0.00 175.22 174.75 1ji6 s ASN 358 N -2.21 6.71 0.07 1.98 0.02 0.23 0.14 114.94 121.88 1ji6 s ASN 358 Ca -0.04 0.91 -0.12 0.00 -1.02 0.00 0.00 52.86 52.59 1ji6 s ASN 358 Cb -0.00 -2.22 0.01 0.00 0.02 0.00 0.00 41.25 39.06 1ji6 s ASN 358 CO -0.05 0.13 0.27 -0.72 0.02 0.00 0.00 177.10 176.74 1ji6 s TYR 359 N -1.46 -0.03 -0.27 2.20 -0.85 0.22 -4.57 117.35 112.59 1ji6 s TYR 359 Ca 0.36 -0.23 -0.26 0.00 -0.52 0.00 0.00 57.07 56.42 1ji6 s TYR 359 Cb -0.14 0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.26 1ji6 s TYR 359 CO 0.19 -0.53 0.91 1.67 -1.52 0.00 0.00 175.55 176.27 1ji6 s TRP 360 N -3.07 3.26 -0.14 -3.49 1.48 -0.28 -1.38 118.94 115.32 1ji6 s TRP 360 Ca -0.01 1.14 0.18 0.00 -1.06 0.00 0.00 56.10 56.34 1ji6 s TRP 360 Cb 0.01 -3.26 -0.11 0.00 -1.16 0.00 0.00 33.47 28.95 1ji6 s TRP 360 CO -0.07 -0.53 0.85 -1.13 -4.06 0.00 0.00 176.95 172.02 1ji6 n SER 361 N 6.28 0.85 -3.02 -2.66 3.41 0.24 -4.59 113.62 114.14 1ji6 n SER 361 Ca 0.08 0.36 -0.04 0.00 -0.26 0.00 0.00 58.87 59.01 1ji6 n SER 361 Cb 0.47 0.23 0.02 0.00 -0.26 0.00 0.00 64.21 64.67 1ji6 n SER 361 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ji6 n GLY 362 N 1.36 0.76 3.61 5.00 0.00 -1.13 -1.24 105.19 113.54 1ji6 n GLY 362 Ca -0.08 -1.17 -0.03 0.00 0.00 0.00 0.00 46.02 44.74 1ji6 n GLY 362 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ji6 s ASN 363 N -3.19 -0.16 0.07 1.61 6.03 0.21 -1.02 114.94 118.49 1ji6 s ASN 363 Ca 0.20 -0.09 0.09 0.00 -1.03 0.00 0.00 52.86 52.02 1ji6 s ASN 363 Cb -0.03 0.24 -0.03 0.00 -3.03 0.00 0.00 41.25 38.40 1ji6 s ASN 363 CO 0.07 -0.41 -0.25 -0.31 -2.03 0.00 0.00 177.10 174.17 1ji6 s TYR 364 N -2.66 2.18 0.05 1.54 1.51 -1.08 -0.40 117.35 118.49 1ji6 s TYR 364 Ca 0.10 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 55.83 1ji6 s TYR 364 Cb 0.01 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 1ji6 s TYR 364 CO -0.04 0.17 -0.19 0.54 -1.11 0.00 0.00 175.55 174.92 1ji6 s VAL 365 N -0.88 1.54 -0.17 0.71 0.11 -1.26 -1.66 120.40 118.79 1ji6 s VAL 365 Ca 0.11 -1.20 0.00 0.00 -2.93 0.00 0.00 61.98 57.96 1ji6 s VAL 365 Cb -0.10 -1.36 0.01 0.00 -1.53 0.00 0.00 36.38 33.40 1ji6 s VAL 365 CO 0.03 0.12 -0.16 -1.61 -3.33 0.00 0.00 175.10 170.15 1ji6 s GLU 366 N -1.27 3.14 0.05 1.54 2.02 -0.38 -1.81 118.70 122.00 1ji6 s GLU 366 Ca 0.06 -0.77 0.09 0.00 0.02 0.00 0.00 54.97 54.37 1ji6 s GLU 366 Cb -0.09 -2.64 -0.03 0.00 0.10 0.00 0.00 34.13 31.47 1ji6 s GLU 366 CO 0.02 -0.10 -0.26 0.95 0.02 0.00 0.00 175.26 175.89 1ji6 s THR 367 N 1.08 2.20 -0.12 3.63 -4.23 0.12 -0.67 115.64 117.66 1ji6 s THR 367 Ca -0.00 -1.42 -0.03 0.00 -1.18 0.00 0.00 61.69 59.06 1ji6 s THR 367 Cb -0.14 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 1ji6 s THR 367 CO -0.05 0.33 -0.01 -0.60 -0.54 0.00 0.00 174.62 173.76 1ji6 s ARG 368 N -1.35 3.31 1.20 3.99 3.00 -0.27 0.49 118.95 129.33 1ji6 s ARG 368 Ca 0.12 -0.44 -0.14 0.00 -1.00 0.00 0.00 55.73 54.27 1ji6 s ARG 368 Cb -0.10 -2.88 0.28 0.00 0.00 0.00 0.00 34.95 32.25 1ji6 s ARG 368 CO 0.03 0.51 0.82 -2.30 0.00 0.00 0.00 175.30 174.35 1ji6 n PRO 369 N 2.75 -2.62 -1.09 5.12 -0.02 -1.26 -0.82 135.00 137.07 1ji6 n PRO 369 Ca -0.18 -0.74 -0.29 0.00 -2.02 0.00 0.00 63.50 60.27 1ji6 n PRO 369 Cb 0.53 -2.06 0.17 0.00 -0.02 0.00 0.00 33.50 32.13 1ji6 n PRO 369 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ji6 s SER 370 N -2.31 2.66 0.24 2.55 0.15 -1.20 -4.69 113.70 111.10 1ji6 s SER 370 Ca 0.66 1.34 -0.30 0.00 0.70 0.00 0.00 55.95 58.35 1ji6 s SER 370 Cb -0.23 -2.02 -0.15 0.00 -1.71 0.00 0.00 66.02 61.92 1ji6 s SER 370 CO 0.65 -3.13 1.12 0.00 1.20 0.00 0.00 173.24 173.08 1ji6 n ILE 371 N -4.19 1.42 0.00 6.45 3.06 -1.26 -2.70 119.36 122.15 1ji6 n ILE 371 Ca 0.06 -0.36 0.00 0.00 -2.50 0.00 0.00 62.75 59.95 1ji6 n ILE 371 Cb 0.56 -0.99 0.00 0.00 0.54 0.00 0.00 39.64 39.76 1ji6 n ILE 371 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1ji6 n GLY 372 N 1.66 2.21 3.03 4.50 0.00 -1.26 -3.99 105.19 111.34 1ji6 n GLY 372 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 1ji6 n GLY 372 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ji6 s SER 373 N -1.87 -0.17 -0.04 1.61 0.15 -1.10 -5.02 113.70 107.27 1ji6 s SER 373 Ca 0.00 0.49 0.19 0.00 0.70 0.00 0.00 55.95 57.33 1ji6 s SER 373 Cb 0.00 0.40 -0.22 0.00 -1.71 0.00 0.00 66.02 64.48 1ji6 s SER 373 CO 0.00 -0.17 0.50 -1.20 1.20 0.00 0.00 173.24 173.57 1ji6 n SER 374 N 4.35 0.36 -4.64 5.45 7.64 -1.26 -4.03 113.62 121.49 1ji6 n SER 374 Ca -0.23 0.16 -0.63 0.00 1.01 0.00 0.00 58.87 59.17 1ji6 n SER 374 Cb 0.52 0.93 -0.09 0.00 -1.01 0.00 0.00 64.21 64.56 1ji6 n SER 374 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1ji6 n LYS 375 N -2.67 0.12 -2.64 1.43 2.85 -1.26 -4.65 118.16 111.34 1ji6 n LYS 375 Ca -0.15 0.04 -0.30 0.00 -1.05 0.00 0.00 58.31 56.85 1ji6 n LYS 375 Cb 0.86 -1.56 -0.02 0.00 -0.65 0.00 0.00 35.03 33.66 1ji6 n LYS 375 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1ji6 s THR 376 N 1.68 4.76 -0.18 0.58 -4.23 -1.26 -3.99 115.64 112.99 1ji6 s THR 376 Ca 0.98 0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 62.15 1ji6 s THR 376 Cb -1.35 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 68.72 1ji6 s THR 376 CO 0.69 -0.67 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.35 1ji6 s ILE 377 N -2.56 2.80 -0.15 2.99 1.01 0.18 -4.95 121.20 120.52 1ji6 s ILE 377 Ca 0.52 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 1ji6 s ILE 377 Cb -0.10 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1ji6 s ILE 377 CO 0.36 0.49 0.14 -0.89 0.00 0.00 0.00 174.94 175.04 1ji6 s THR 378 N 1.16 5.46 0.68 2.92 2.01 -1.26 -0.70 115.64 125.90 1ji6 s THR 378 Ca 0.01 0.22 -0.05 0.00 0.31 0.00 0.00 61.69 62.19 1ji6 s THR 378 Cb -0.14 -3.44 0.06 0.00 0.01 0.00 0.00 72.50 68.99 1ji6 s THR 378 CO -0.04 0.54 0.97 -0.94 -0.69 0.00 0.00 174.62 174.45 1ji6 s SER 379 N -0.43 4.84 1.14 3.53 1.04 -0.75 -5.01 113.70 118.06 1ji6 s SER 379 Ca 0.12 0.28 -0.16 0.00 0.48 0.00 0.00 55.95 56.68 1ji6 s SER 379 Cb -0.12 -0.95 0.26 0.00 0.10 0.00 0.00 66.02 65.31 1ji6 s SER 379 CO 0.02 -1.55 1.07 -2.84 0.98 0.00 0.00 173.24 170.92 1ji6 s PRO 380 N -5.15 -0.71 0.24 4.02 0.02 -1.26 -4.65 135.00 127.51 1ji6 s PRO 380 Ca 0.60 0.31 -0.30 0.00 0.02 0.00 0.00 61.00 61.63 1ji6 s PRO 380 Cb -0.10 -1.62 -0.09 0.00 0.02 0.00 0.00 34.50 32.71 1ji6 s PRO 380 CO 0.43 -3.45 0.95 0.12 -0.33 0.00 0.00 177.00 174.72 1ji6 s PHE 381 N -2.85 3.97 -0.15 6.54 5.36 -1.26 -4.61 117.98 124.99 1ji6 s PHE 381 Ca 0.68 1.91 0.01 0.00 -0.96 0.00 0.00 56.93 58.56 1ji6 s PHE 381 Cb -0.16 -2.99 -0.00 0.00 -0.34 0.00 0.00 43.02 39.52 1ji6 s PHE 381 CO 0.58 0.41 -0.16 0.71 -1.46 0.00 0.00 175.22 175.30 1ji6 s TYR 382 N -1.16 2.76 0.00 10.12 4.12 0.46 -4.96 117.35 128.70 1ji6 s TYR 382 Ca 0.41 -1.03 0.00 0.00 0.02 0.00 0.00 57.07 56.47 1ji6 s TYR 382 Cb -0.26 -1.87 0.00 0.00 -1.52 0.00 0.00 41.96 38.31 1ji6 s TYR 382 CO 0.32 -0.46 0.00 0.41 0.02 0.00 0.00 175.55 175.84 1ji6 n GLY 383 N 3.99 -0.23 3.87 0.71 0.00 -1.24 0.66 105.19 112.95 1ji6 n GLY 383 Ca -0.19 -1.33 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 1ji6 n GLY 383 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ji6 s ASP 384 N -4.00 6.26 0.51 1.61 1.01 -0.37 -4.86 116.67 116.83 1ji6 s ASP 384 Ca 0.00 0.38 -0.21 0.00 0.71 0.00 0.00 52.55 53.43 1ji6 s ASP 384 Cb 0.00 -1.98 -0.06 0.00 1.01 0.00 0.00 42.92 41.89 1ji6 s ASP 384 CO 0.00 0.34 1.18 -0.54 0.21 0.00 0.00 175.17 176.36 1ji6 s LYS 385 N -1.43 3.48 0.75 8.23 -0.14 -1.26 -2.85 119.74 126.52 1ji6 s LYS 385 Ca 0.20 1.77 -0.12 0.00 -1.36 0.00 0.00 55.97 56.46 1ji6 s LYS 385 Cb -0.12 -2.21 0.05 0.00 -1.68 0.00 0.00 37.83 33.86 1ji6 s LYS 385 CO 0.10 -0.78 1.11 -1.54 -0.76 0.00 0.00 175.35 173.49 1ji6 s SER 386 N -1.47 4.50 -0.02 2.83 1.04 -1.26 -4.85 113.70 114.46 1ji6 s SER 386 Ca 0.69 1.96 0.08 0.00 0.48 0.00 0.00 55.95 59.16 1ji6 s SER 386 Cb -0.28 -2.54 -0.12 0.00 0.10 0.00 0.00 66.02 63.17 1ji6 s SER 386 CO 0.33 -2.04 0.16 0.41 0.98 0.00 0.00 173.24 173.08 1ji6 n THR 387 N -3.18 0.08 -4.21 2.02 -1.04 0.92 -4.93 114.28 103.94 1ji6 n THR 387 Ca 0.10 -0.21 -0.22 0.00 -2.04 0.00 0.00 64.05 61.68 1ji6 n THR 387 Cb 0.52 0.15 -0.03 0.00 -1.82 0.00 0.00 70.33 69.16 1ji6 n THR 387 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ji6 n GLU 388 N -1.86 0.99 -2.10 -2.82 -0.58 -0.89 -5.01 120.64 108.36 1ji6 n GLU 388 Ca -0.03 -2.68 -0.39 0.00 -0.42 0.00 0.00 57.16 53.64 1ji6 n GLU 388 Cb 0.29 0.53 -0.00 0.00 -0.57 0.00 0.00 31.44 31.69 1ji6 n GLU 388 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1ji6 s PRO 389 N -3.51 3.82 0.27 3.49 0.02 -1.26 -4.63 135.00 133.20 1ji6 s PRO 389 Ca 0.11 2.03 -0.18 0.00 0.02 0.00 0.00 61.00 62.97 1ji6 s PRO 389 Cb -0.01 -2.60 -0.09 0.00 0.02 0.00 0.00 34.50 31.82 1ji6 s PRO 389 CO 0.07 -0.57 0.75 0.14 -0.33 0.00 0.00 177.00 177.05 1ji6 s VAL 390 N -1.35 4.58 -0.09 3.83 -7.23 -1.26 -4.43 120.40 114.45 1ji6 s VAL 390 Ca 0.60 1.20 0.03 0.00 -1.81 0.00 0.00 61.98 62.01 1ji6 s VAL 390 Cb -0.35 -3.77 -0.01 0.00 0.56 0.00 0.00 36.38 32.81 1ji6 s VAL 390 CO 0.44 0.05 -0.20 -1.10 -0.31 0.00 0.00 175.10 173.98 1ji6 s GLN 391 N -2.37 2.92 -0.13 4.82 -0.21 -0.65 -4.98 119.66 119.06 1ji6 s GLN 391 Ca 0.48 -0.81 0.01 0.00 0.02 0.00 0.00 55.36 55.06 1ji6 s GLN 391 Cb -0.14 -2.36 -0.01 0.00 1.00 0.00 0.00 33.01 31.50 1ji6 s GLN 391 CO 0.20 0.31 -0.16 0.21 -2.12 0.00 0.00 175.29 173.72 1ji6 s LYS 392 N 0.05 3.25 -0.08 2.91 2.47 -1.26 0.60 119.74 127.68 1ji6 s LYS 392 Ca -0.08 -0.75 0.04 0.00 -1.56 0.00 0.00 55.97 53.62 1ji6 s LYS 392 Cb -0.15 -2.56 -0.00 0.00 -1.46 0.00 0.00 37.83 33.66 1ji6 s LYS 392 CO 0.05 0.13 -0.21 -0.51 0.16 0.00 0.00 175.35 174.97 1ji6 s LEU 393 N 0.53 1.99 -0.15 5.43 1.43 0.05 -5.01 118.68 122.96 1ji6 s LEU 393 Ca -0.10 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1ji6 s LEU 393 Cb -0.16 -1.25 0.00 0.00 0.03 0.00 0.00 46.19 44.81 1ji6 s LEU 393 CO 0.04 0.15 -0.19 -0.55 0.23 0.00 0.00 176.35 176.04 1ji6 s SER 394 N 0.26 3.37 -0.22 2.29 0.15 -1.26 0.10 113.70 118.39 1ji6 s SER 394 Ca -0.13 -0.54 0.15 0.00 0.70 0.00 0.00 55.95 56.12 1ji6 s SER 394 Cb -0.16 -1.50 0.66 0.00 -1.71 0.00 0.00 66.02 63.31 1ji6 s SER 394 CO 0.06 0.08 1.58 0.49 1.20 0.00 0.00 173.24 176.66 1ji6 n PHE 395 N 4.05 1.51 -1.70 3.44 3.01 0.48 -4.93 117.46 123.32 1ji6 n PHE 395 Ca -0.20 -0.89 -0.55 0.00 1.01 0.00 0.00 57.45 56.82 1ji6 n PHE 395 Cb 0.52 -0.43 -0.07 0.00 -0.01 0.00 0.00 39.48 39.49 1ji6 n PHE 395 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1ji6 n ASP 396 N -0.11 2.59 0.00 4.37 2.03 -0.88 -0.84 116.55 123.71 1ji6 n ASP 396 Ca 0.26 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.63 1ji6 n ASP 396 Cb 1.06 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 1ji6 n ASP 396 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ji6 n GLY 397 N 4.12 0.64 3.40 0.27 0.00 -1.26 -5.04 105.19 107.32 1ji6 n GLY 397 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 1ji6 n GLY 397 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ji6 s GLN 398 N -0.22 1.47 -0.29 1.61 -1.52 -0.02 -4.58 119.66 116.11 1ji6 s GLN 398 Ca 0.00 -1.54 -0.03 0.00 -1.95 0.00 0.00 55.36 51.85 1ji6 s GLN 398 Cb 0.00 -1.66 0.04 0.00 -0.22 0.00 0.00 33.01 31.17 1ji6 s GLN 398 CO 0.00 0.34 -0.00 0.15 -0.25 0.00 0.00 175.29 175.53 1ji6 s LYS 399 N -2.90 2.61 -0.53 2.91 -0.14 0.47 -4.92 119.74 117.25 1ji6 s LYS 399 Ca 0.21 -1.14 -0.24 0.00 -1.36 0.00 0.00 55.97 53.44 1ji6 s LYS 399 Cb -0.06 -3.17 0.04 0.00 -1.68 0.00 0.00 37.83 32.95 1ji6 s LYS 399 CO 0.10 -0.55 0.92 0.08 -0.76 0.00 0.00 175.35 175.14 1ji6 s VAL 400 N 1.31 4.43 -2.71 3.17 1.01 -1.26 0.12 120.40 126.47 1ji6 s VAL 400 Ca -0.03 0.32 0.24 0.00 0.00 0.00 0.00 61.98 62.50 1ji6 s VAL 400 Cb -0.19 -4.51 0.31 0.00 0.00 0.00 0.00 36.38 32.00 1ji6 s VAL 400 CO -0.01 -1.05 1.33 0.00 0.00 0.00 0.00 175.10 175.37 1ji6 n TYR 401 N 7.34 0.26 -3.60 5.22 0.18 -0.52 -0.97 117.16 125.07 1ji6 n TYR 401 Ca 0.02 -0.13 -0.12 0.00 1.88 0.00 0.00 57.90 59.55 1ji6 n TYR 401 Cb 0.48 -0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.37 1ji6 n TYR 401 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 1ji6 s ARG 402 N -1.72 0.67 -0.02 -3.48 3.52 -1.17 -4.90 118.95 111.84 1ji6 s ARG 402 Ca 0.34 0.50 0.01 0.00 -0.13 0.00 0.00 55.73 56.44 1ji6 s ARG 402 Cb 0.21 0.32 0.02 0.00 -1.56 0.00 0.00 34.95 33.94 1ji6 s ARG 402 CO 0.31 -0.14 -0.01 0.95 -0.81 0.00 0.00 175.30 175.59 1ji6 s THR 403 N -0.31 0.23 -0.13 4.11 -4.23 -1.26 -0.60 115.64 113.45 1ji6 s THR 403 Ca -0.01 -0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1ji6 s THR 403 Cb -0.03 -0.28 0.03 0.00 1.34 0.00 0.00 72.50 73.56 1ji6 s THR 403 CO -0.00 0.13 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.50 1ji6 s ILE 404 N 0.66 1.13 0.06 2.99 1.01 -0.99 -0.95 121.20 125.11 1ji6 s ILE 404 Ca -0.07 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.18 1ji6 s ILE 404 Cb -0.10 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 1ji6 s ILE 404 CO -0.01 0.30 0.01 0.00 0.00 0.00 0.00 174.94 175.24 1ji6 s ALA 405 N 1.65 3.33 0.06 9.38 0.00 0.00 -1.48 121.76 134.71 1ji6 s ALA 405 Ca 0.04 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 51.01 1ji6 s ALA 405 Cb -0.13 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 1ji6 s ALA 405 CO -0.08 0.69 -0.20 -0.80 0.00 0.00 0.00 175.76 175.37 1ji6 s ASN 406 N -2.12 2.44 0.39 0.00 0.02 -0.14 -2.33 114.94 113.19 1ji6 s ASN 406 Ca 0.25 -0.56 0.00 0.00 -1.02 0.00 0.00 52.86 51.53 1ji6 s ASN 406 Cb -0.12 -0.18 -0.00 0.00 0.02 0.00 0.00 41.25 40.97 1ji6 s ASN 406 CO 0.17 0.13 0.02 1.07 0.02 0.00 0.00 177.10 178.50 1ji6 n THR 407 N 1.68 0.00 -3.71 1.60 5.66 -0.88 -2.38 114.28 116.24 1ji6 n THR 407 Ca -0.18 -1.87 -0.10 0.00 -3.05 0.00 0.00 64.05 58.85 1ji6 n THR 407 Cb 0.53 0.42 -0.04 0.00 -1.55 0.00 0.00 70.33 69.70 1ji6 n THR 407 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ji6 s ASP 408 N -3.15 -0.28 0.10 1.09 3.68 -1.17 -2.07 116.67 114.88 1ji6 s ASP 408 Ca 0.02 -0.44 -0.00 0.00 2.13 0.00 0.00 52.55 54.26 1ji6 s ASP 408 Cb 0.00 0.58 -0.04 0.00 -1.45 0.00 0.00 42.92 42.01 1ji6 s ASP 408 CO 0.02 -1.04 0.01 -0.69 0.13 0.00 0.00 175.17 173.59 1ji6 s VAL 409 N -3.86 0.27 -0.25 1.11 1.01 -1.26 -3.67 120.40 113.74 1ji6 s VAL 409 Ca 0.08 -1.88 -0.02 0.00 0.00 0.00 0.00 61.98 60.16 1ji6 s VAL 409 Cb -0.01 -1.83 0.14 0.00 0.00 0.00 0.00 36.38 34.68 1ji6 s VAL 409 CO -0.04 -0.70 0.37 0.00 0.00 0.00 0.00 175.10 174.74 1ji6 s ALA 410 N -3.92 -1.05 -0.10 5.51 0.00 -0.93 -4.99 121.76 116.28 1ji6 s ALA 410 Ca 0.17 0.69 -0.13 0.00 0.00 0.00 0.00 51.96 52.69 1ji6 s ALA 410 Cb 0.07 -1.75 -0.05 0.00 0.00 0.00 0.00 23.12 21.40 1ji6 s ALA 410 CO -0.03 -1.38 0.30 0.00 0.00 0.00 0.00 175.76 174.65 1ji6 s ALA 411 N 2.53 3.68 -0.01 0.00 0.00 -1.26 -1.51 121.76 125.18 1ji6 s ALA 411 Ca 0.12 -0.42 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 1ji6 s ALA 411 Cb -0.15 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 1ji6 s ALA 411 CO -0.19 0.32 0.10 -1.58 0.00 0.00 0.00 175.76 174.40 1ji6 s TRP 412 N -0.31 3.34 0.33 0.00 0.52 0.16 -4.68 118.94 118.30 1ji6 s TRP 412 Ca 0.18 0.24 0.08 0.00 0.02 0.00 0.00 56.10 56.63 1ji6 s TRP 412 Cb -0.14 -1.76 0.79 0.00 -1.15 0.00 0.00 33.47 31.21 1ji6 s TRP 412 CO 0.07 0.57 1.81 -1.35 0.02 0.00 0.00 176.95 178.07 1ji6 h PRO 413 N 4.09 0.70 -0.84 4.98 0.11 -1.99 0.17 132.00 139.22 1ji6 h PRO 413 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1ji6 h PRO 413 Cb 1.18 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1ji6 h PRO 413 CO 0.63 0.46 0.00 0.27 -0.21 0.00 0.00 178.00 179.15 1ji6 n ASN 414 N -4.68 1.00 0.00 -2.05 6.94 -1.26 -4.81 115.26 110.40 1ji6 n ASN 414 Ca 0.22 -1.56 0.00 0.00 -0.02 0.00 0.00 54.58 53.21 1ji6 n ASN 414 Cb 0.57 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 1ji6 n ASN 414 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ji6 n GLY 415 N 0.18 2.21 3.67 4.83 0.00 0.60 -5.00 105.19 111.67 1ji6 n GLY 415 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1ji6 n GLY 415 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ji6 s LYS 416 N -0.00 4.30 -0.02 1.61 -0.14 -1.23 -4.79 119.74 119.47 1ji6 s LYS 416 Ca 0.00 1.54 0.03 0.00 -1.36 0.00 0.00 55.97 56.17 1ji6 s LYS 416 Cb 0.00 -3.64 -0.03 0.00 -1.68 0.00 0.00 37.83 32.48 1ji6 s LYS 416 CO 0.00 -0.55 -0.07 0.08 -0.76 0.00 0.00 175.35 174.05 1ji6 s VAL 417 N 2.85 3.65 -0.02 3.17 1.01 -1.26 0.40 120.40 130.18 1ji6 s VAL 417 Ca 0.51 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.84 1ji6 s VAL 417 Cb -0.20 -2.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.62 1ji6 s VAL 417 CO 0.15 0.46 -0.13 -0.31 0.00 0.00 0.00 175.10 175.27 1ji6 s TYR 418 N -0.93 1.27 0.14 5.22 1.51 -0.57 -4.93 117.35 119.06 1ji6 s TYR 418 Ca 0.16 -0.30 0.04 0.00 -1.01 0.00 0.00 57.07 55.96 1ji6 s TYR 418 Cb -0.11 -0.85 -0.04 0.00 -0.11 0.00 0.00 41.96 40.84 1ji6 s TYR 418 CO 0.05 -0.08 -0.10 -0.51 -1.11 0.00 0.00 175.55 173.80 1ji6 s LEU 419 N -0.06 2.51 -0.26 -1.29 1.43 -1.24 -2.18 118.68 117.58 1ji6 s LEU 419 Ca 0.00 -0.98 -0.38 0.00 -1.03 0.00 0.00 54.13 51.74 1ji6 s LEU 419 Cb -0.08 -0.33 0.16 0.00 0.03 0.00 0.00 46.19 45.97 1ji6 s LEU 419 CO 0.00 -0.33 1.40 -0.83 0.23 0.00 0.00 176.35 176.83 1ji6 s GLY 420 N -3.04 -0.24 -0.22 -3.19 0.00 -1.24 -4.45 107.32 94.94 1ji6 s GLY 420 Ca 0.15 1.78 -0.22 0.00 0.00 0.00 0.00 44.72 46.43 1ji6 s GLY 420 CO 0.00 0.57 0.71 0.14 0.00 0.00 0.00 173.10 174.52 1ji6 s VAL 421 N -2.02 4.94 -0.32 1.40 1.01 -1.26 -3.02 120.40 121.13 1ji6 s VAL 421 Ca 0.12 1.34 0.22 0.00 0.00 0.00 0.00 61.98 63.67 1ji6 s VAL 421 Cb 0.00 -4.02 -0.23 0.00 0.00 0.00 0.00 36.38 32.13 1ji6 s VAL 421 CO -0.03 0.03 0.73 0.35 0.00 0.00 0.00 175.10 176.18 1ji6 n THR 422 N 4.97 0.11 -3.57 3.92 -2.24 -1.00 -1.13 114.28 115.35 1ji6 n THR 422 Ca 0.02 -0.38 -0.15 0.00 -2.27 0.00 0.00 64.05 61.27 1ji6 n THR 422 Cb 0.49 0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 1ji6 n THR 422 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ji6 s LYS 423 N -3.35 0.87 -0.13 -0.78 2.20 -1.19 -0.31 119.74 117.04 1ji6 s LYS 423 Ca -0.02 0.46 -0.06 0.00 -0.36 0.00 0.00 55.97 55.99 1ji6 s LYS 423 Cb 0.14 0.41 0.05 0.00 -1.51 0.00 0.00 37.83 36.93 1ji6 s LYS 423 CO 0.87 -0.22 0.30 0.08 -0.36 0.00 0.00 175.35 176.02 1ji6 s VAL 424 N -0.64 -0.09 -0.22 4.02 1.01 -0.48 -0.97 120.40 123.02 1ji6 s VAL 424 Ca -0.05 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.00 1ji6 s VAL 424 Cb -0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 1ji6 s VAL 424 CO 0.05 0.06 0.07 -1.81 0.00 0.00 0.00 175.10 173.47 1ji6 s ASP 425 N 1.46 5.34 -0.45 3.32 1.01 -0.55 -0.87 116.67 125.94 1ji6 s ASP 425 Ca -0.08 -0.09 -0.13 0.00 0.71 0.00 0.00 52.55 52.96 1ji6 s ASP 425 Cb -0.10 -1.94 0.07 0.00 1.01 0.00 0.00 42.92 41.96 1ji6 s ASP 425 CO -0.10 0.05 0.33 -0.36 0.21 0.00 0.00 175.17 175.30 1ji6 s PHE 426 N 1.11 3.28 -0.50 4.23 0.40 0.99 -2.34 117.98 125.15 1ji6 s PHE 426 Ca 0.04 -1.13 -0.26 0.00 -0.60 0.00 0.00 56.93 54.98 1ji6 s PHE 426 Cb -0.14 -3.03 0.03 0.00 0.51 0.00 0.00 43.02 40.39 1ji6 s PHE 426 CO 0.03 -0.80 1.00 -1.12 0.70 0.00 0.00 175.22 175.03 1ji6 s SER 427 N 2.34 6.48 0.15 1.36 0.01 0.23 -1.55 113.70 122.72 1ji6 s SER 427 Ca 0.04 0.08 0.06 0.00 1.31 0.00 0.00 55.95 57.43 1ji6 s SER 427 Cb -0.23 -2.48 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 1ji6 s SER 427 CO 0.05 -1.18 0.06 0.00 0.41 0.00 0.00 173.24 172.58 1ji6 s GLN 428 N 4.07 2.66 -0.03 12.44 -2.07 -0.10 -1.43 119.66 135.20 1ji6 s GLN 428 Ca 0.38 -0.95 0.04 0.00 -1.82 0.00 0.00 55.36 53.02 1ji6 s GLN 428 Cb -0.10 -2.52 -0.01 0.00 -1.09 0.00 0.00 33.01 29.29 1ji6 s GLN 428 CO 0.26 0.49 -0.16 -0.47 -1.32 0.00 0.00 175.29 174.09 1ji6 s TYR 429 N -1.66 1.50 -0.33 9.60 5.04 0.12 -1.57 117.35 130.04 1ji6 s TYR 429 Ca 0.29 -0.35 -0.08 0.00 -2.44 0.00 0.00 57.07 54.48 1ji6 s TYR 429 Cb -0.10 -0.99 0.02 0.00 0.35 0.00 0.00 41.96 41.24 1ji6 s TYR 429 CO 0.21 -0.09 0.13 0.34 -1.34 0.00 0.00 175.55 174.80 1ji6 s ASP 430 N -0.15 5.41 0.09 4.32 -1.08 0.38 -0.39 116.67 125.25 1ji6 s ASP 430 Ca 0.01 -0.90 -0.27 0.00 -0.52 0.00 0.00 52.55 50.87 1ji6 s ASP 430 Cb -0.09 -1.93 -0.14 0.00 -1.46 0.00 0.00 42.92 39.30 1ji6 s ASP 430 CO 0.01 -0.29 1.68 0.44 0.52 0.00 0.00 175.17 177.52 1ji6 h ASP 431 N 8.30 -0.41 0.00 -0.34 3.32 -1.86 0.17 116.42 125.60 1ji6 h ASP 431 Ca -0.27 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1ji6 h ASP 431 Cb 1.11 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1ji6 h ASP 431 CO 0.62 -0.26 0.00 0.00 -1.72 0.00 0.00 179.24 177.89 1ji6 n GLN 432 N -5.29 0.00 0.00 3.56 6.02 -1.26 -2.50 117.38 117.91 1ji6 n GLN 432 Ca -0.09 0.39 0.11 0.00 -0.01 0.00 0.00 57.00 57.40 1ji6 n GLN 432 Cb 0.20 -1.01 0.61 0.00 1.02 0.00 0.00 30.24 31.05 1ji6 n GLN 432 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ji6 n LYS 433 N -0.92 0.45 -3.82 -1.09 5.02 -1.25 -4.89 118.16 111.65 1ji6 n LYS 433 Ca 0.00 0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 56.08 1ji6 n LYS 433 Cb 0.00 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.52 1ji6 n LYS 433 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ji6 n ASN 434 N -1.19 -1.81 -4.28 4.39 2.85 0.58 -4.98 115.26 110.82 1ji6 n ASN 434 Ca 0.13 -0.97 -0.24 0.00 -0.11 0.00 0.00 54.58 53.39 1ji6 n ASN 434 Cb 0.15 -3.37 -0.13 0.00 1.24 0.00 0.00 39.78 37.67 1ji6 n ASN 434 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1ji6 s GLU 435 N -6.27 1.17 0.11 1.20 -1.05 -1.04 -4.95 118.70 107.88 1ji6 s GLU 435 Ca 0.13 -1.13 0.07 0.00 -0.15 0.00 0.00 54.97 53.88 1ji6 s GLU 435 Cb -0.04 -1.42 -0.04 0.00 -0.44 0.00 0.00 34.13 32.19 1ji6 s GLU 435 CO 0.86 0.33 -0.06 0.95 0.95 0.00 0.00 175.26 178.30 1ji6 s THR 436 N -1.10 3.57 0.36 1.83 -4.23 -1.26 -0.47 115.64 114.33 1ji6 s THR 436 Ca 0.07 -1.25 -0.17 0.00 -1.18 0.00 0.00 61.69 59.16 1ji6 s THR 436 Cb -0.10 -2.70 0.05 0.00 1.34 0.00 0.00 72.50 71.09 1ji6 s THR 436 CO 0.04 0.07 0.79 -0.94 -0.54 0.00 0.00 174.62 174.04 1ji6 s SER 437 N -2.37 -0.03 0.17 3.99 1.04 -0.61 -5.01 113.70 110.88 1ji6 s SER 437 Ca 0.23 -1.05 0.06 0.00 0.48 0.00 0.00 55.95 55.67 1ji6 s SER 437 Cb -0.11 0.82 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 1ji6 s SER 437 CO 0.16 -1.61 -0.12 -0.89 0.98 0.00 0.00 173.24 171.75 1ji6 s THR 438 N -2.53 1.42 -0.01 2.02 2.01 -1.26 -0.92 115.64 116.36 1ji6 s THR 438 Ca 0.15 -2.10 -0.06 0.00 0.31 0.00 0.00 61.69 59.99 1ji6 s THR 438 Cb -0.05 -1.91 0.00 0.00 0.01 0.00 0.00 72.50 70.55 1ji6 s THR 438 CO 0.11 -0.66 0.12 -1.10 -0.69 0.00 0.00 174.62 172.39 1ji6 s GLN 439 N -3.63 0.36 0.04 4.92 -0.21 -0.59 -4.94 119.66 115.60 1ji6 s GLN 439 Ca 0.19 -0.23 0.02 0.00 0.02 0.00 0.00 55.36 55.36 1ji6 s GLN 439 Cb 0.01 0.15 -0.02 0.00 1.00 0.00 0.00 33.01 34.14 1ji6 s GLN 439 CO 0.03 -0.08 -0.08 0.99 -2.12 0.00 0.00 175.29 174.04 1ji6 s THR 440 N -0.91 0.54 -0.29 -0.19 2.01 -1.26 -0.01 115.64 115.53 1ji6 s THR 440 Ca -0.10 -1.04 -0.04 0.00 0.31 0.00 0.00 61.69 60.82 1ji6 s THR 440 Cb -0.06 -0.60 0.03 0.00 0.01 0.00 0.00 72.50 71.88 1ji6 s THR 440 CO 0.01 -0.36 0.02 -0.47 -0.69 0.00 0.00 174.62 173.13 1ji6 s TYR 441 N -1.32 3.17 -0.17 4.92 5.04 -0.05 -4.97 117.35 123.96 1ji6 s TYR 441 Ca -0.09 -1.43 0.01 0.00 -2.44 0.00 0.00 57.07 53.11 1ji6 s TYR 441 Cb -0.10 -2.16 0.02 0.00 0.35 0.00 0.00 41.96 40.07 1ji6 s TYR 441 CO 0.00 -0.70 -0.17 0.34 -1.34 0.00 0.00 175.55 173.68 1ji6 s ASP 442 N 1.37 3.01 0.61 4.32 -1.08 -1.26 -1.39 116.67 122.25 1ji6 s ASP 442 Ca -0.01 -0.62 0.32 0.00 -0.52 0.00 0.00 52.55 51.73 1ji6 s ASP 442 Cb -0.18 -1.35 1.90 0.00 -1.46 0.00 0.00 42.92 41.83 1ji6 s ASP 442 CO -0.00 -0.03 2.24 0.77 0.52 0.00 0.00 175.17 178.67 1ji6 h SER 443 N 7.98 0.00 -0.01 -0.34 4.64 -0.97 -3.46 113.55 121.39 1ji6 h SER 443 Ca -0.41 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1ji6 h SER 443 Cb 1.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1ji6 h SER 443 CO 0.58 0.00 -0.00 0.29 -0.87 0.00 0.00 176.83 176.83 1ji6 n LYS 444 N -3.68 -0.04 -3.23 4.77 5.02 -1.26 -4.78 118.16 114.94 1ji6 n LYS 444 Ca -0.02 0.21 0.01 0.00 -2.02 0.00 0.00 58.31 56.49 1ji6 n LYS 444 Cb 0.13 -3.44 -0.03 0.00 -0.02 0.00 0.00 35.03 31.66 1ji6 n LYS 444 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1ji6 s ARG 445 N -0.85 0.52 0.06 1.97 3.52 -1.26 -4.97 118.95 117.94 1ji6 s ARG 445 Ca 0.00 0.93 -0.24 0.00 -0.13 0.00 0.00 55.73 56.29 1ji6 s ARG 445 Cb 0.00 0.35 0.06 0.00 -1.56 0.00 0.00 34.95 33.80 1ji6 s ARG 445 CO 0.00 -0.59 0.57 0.54 -0.81 0.00 0.00 175.30 175.01 1ji6 s ASN 446 N 2.79 -0.52 0.00 -2.12 4.22 -1.26 -0.60 114.94 117.45 1ji6 s ASN 446 Ca 0.17 0.24 0.16 0.00 -2.14 0.00 0.00 52.86 51.30 1ji6 s ASN 446 Cb -0.15 0.53 0.47 0.00 1.28 0.00 0.00 41.25 43.38 1ji6 s ASN 446 CO -0.20 -0.76 1.39 0.59 -2.04 0.00 0.00 177.10 176.08 1ji6 n ASN 447 N 0.30 2.57 0.00 3.54 3.02 -1.26 -5.00 115.26 118.43 1ji6 n ASN 447 Ca -0.18 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.41 1ji6 n ASN 447 Cb 0.61 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 1ji6 n ASN 447 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ji6 n GLY 448 N 1.28 1.45 3.10 7.41 0.00 -1.26 -5.06 105.19 112.10 1ji6 n GLY 448 Ca 0.17 -1.94 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 1ji6 n GLY 448 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ji6 s HIS 449 N -1.20 3.54 0.63 1.61 3.76 -1.26 -4.81 115.29 117.55 1ji6 s HIS 449 Ca 0.00 -2.44 -0.15 0.00 -0.15 0.00 0.00 55.06 52.32 1ji6 s HIS 449 Cb 0.00 -2.77 -0.01 0.00 1.11 0.00 0.00 32.58 30.90 1ji6 s HIS 449 CO 0.00 -0.92 1.09 0.08 -0.85 0.00 0.00 174.74 174.15 1ji6 s VAL 450 N 1.10 3.42 0.46 -0.90 1.01 -0.88 -4.90 120.40 119.70 1ji6 s VAL 450 Ca 0.04 0.67 -0.00 0.00 0.00 0.00 0.00 61.98 62.69 1ji6 s VAL 450 Cb -0.21 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 1ji6 s VAL 450 CO -0.05 -0.40 0.69 -0.44 0.00 0.00 0.00 175.10 174.90 1ji6 s SER 451 N -2.62 5.84 0.00 3.32 0.01 -1.26 -2.07 113.70 116.93 1ji6 s SER 451 Ca 0.66 0.34 0.00 0.00 1.31 0.00 0.00 55.95 58.26 1ji6 s SER 451 Cb -0.19 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 64.46 1ji6 s SER 451 CO 0.39 -0.71 0.00 0.00 0.41 0.00 0.00 173.24 173.34 1ji6 n ALA 452 N -2.11 0.00 -1.63 1.44 0.00 -0.99 -4.44 120.51 112.78 1ji6 n ALA 452 Ca 0.01 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.97 1ji6 n ALA 452 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.98 1ji6 n ALA 452 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ji6 n GLN 453 N 0.00 1.71 -4.07 0.00 7.27 -1.15 -4.63 117.38 116.51 1ji6 n GLN 453 Ca 0.00 0.62 -0.33 0.00 0.07 0.00 0.00 57.00 57.35 1ji6 n GLN 453 Cb 0.00 -2.30 -0.16 0.00 2.41 0.00 0.00 30.24 30.20 1ji6 n GLN 453 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1ji6 s ASP 454 N 0.57 3.48 0.23 1.69 -1.08 -1.26 -0.82 116.67 119.48 1ji6 s ASP 454 Ca 0.78 -0.69 -0.08 0.00 -0.52 0.00 0.00 52.55 52.05 1ji6 s ASP 454 Cb -0.78 -1.53 0.37 0.00 -1.46 0.00 0.00 42.92 39.52 1ji6 s ASP 454 CO 0.44 -0.03 1.69 0.77 0.52 0.00 0.00 175.17 178.57 1ji6 h SER 455 N 7.96 -0.00 -0.34 -0.34 4.64 -1.44 -2.51 113.55 121.51 1ji6 h SER 455 Ca -0.42 0.13 0.10 0.00 -0.47 0.00 0.00 61.79 61.12 1ji6 h SER 455 Cb 1.13 0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 1ji6 h SER 455 CO 0.62 -0.01 0.44 0.16 -0.87 0.00 0.00 176.83 177.16 1ji6 h ILE 456 N 0.26 0.29 -0.09 0.95 3.07 -1.86 0.96 117.51 121.10 1ji6 h ILE 456 Ca 0.36 0.00 -0.11 0.00 1.55 0.00 0.00 64.86 66.67 1ji6 h ILE 456 Cb 0.58 0.63 -0.01 0.00 -0.27 0.00 0.00 36.82 37.75 1ji6 h ILE 456 CO -0.46 0.00 -0.43 0.44 -1.05 0.00 0.00 178.15 176.65 1ji6 h ASP 457 N 0.00 0.21 0.11 2.16 3.45 -1.87 -1.85 116.42 118.63 1ji6 h ASP 457 Ca 0.16 -0.09 -0.35 0.00 0.43 0.00 0.00 57.03 57.18 1ji6 h ASP 457 Cb 1.04 -0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.74 1ji6 h ASP 457 CO -0.00 0.62 -1.94 0.00 -1.57 0.00 0.00 179.24 176.35 1ji6 n GLN 458 N -4.01 0.74 -3.48 3.56 1.13 0.14 -4.66 117.38 110.79 1ji6 n GLN 458 Ca -0.02 0.29 -0.27 0.00 -1.94 0.00 0.00 57.00 55.07 1ji6 n GLN 458 Cb 0.49 -1.71 -0.09 0.00 0.11 0.00 0.00 30.24 29.04 1ji6 n GLN 458 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1ji6 n LEU 459 N -3.58 3.24 -4.61 1.08 4.77 -0.09 -4.99 117.00 112.82 1ji6 n LEU 459 Ca -0.32 -5.32 -0.31 0.00 -0.03 0.00 0.00 56.01 50.02 1ji6 n LEU 459 Cb 1.01 -0.54 0.16 0.00 -2.33 0.00 0.00 43.42 41.72 1ji6 n LEU 459 CO 0.40 2.00 0.50 -0.81 -1.33 0.00 0.00 177.39 178.16 1ji6 n PRO 460 N 1.13 -0.43 -1.64 3.23 -0.04 -0.70 -4.41 135.00 132.13 1ji6 n PRO 460 Ca 0.27 -0.07 -0.30 0.00 -0.04 0.00 0.00 63.50 63.37 1ji6 n PRO 460 Cb 0.41 -2.26 0.19 0.00 -0.04 0.00 0.00 33.50 31.81 1ji6 n PRO 460 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1ji6 s PRO 461 N -4.41 0.19 0.38 0.54 0.04 -1.26 -4.33 135.00 126.15 1ji6 s PRO 461 Ca 0.65 -0.22 0.26 0.00 0.04 0.00 0.00 61.00 61.73 1ji6 s PRO 461 Cb -0.23 -1.78 0.73 0.00 0.04 0.00 0.00 34.50 33.27 1ji6 s PRO 461 CO 0.60 -2.75 1.74 0.93 0.04 0.00 0.00 177.00 177.56 1ji6 h GLU 462 N -1.88 0.00 -2.59 4.56 5.08 -0.44 -3.44 114.58 115.86 1ji6 h GLU 462 Ca -0.45 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 1ji6 h GLU 462 Cb 1.27 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.36 1ji6 h GLU 462 CO 0.40 0.00 0.18 0.99 -1.00 0.00 0.00 179.01 179.58 1ji6 s THR 463 N -3.28 0.00 -0.09 1.13 2.01 -1.26 -4.65 115.64 109.51 1ji6 s THR 463 Ca 0.07 -0.04 0.21 0.00 0.31 0.00 0.00 61.69 62.24 1ji6 s THR 463 Cb 0.08 -1.00 -0.28 0.00 0.01 0.00 0.00 72.50 71.32 1ji6 s THR 463 CO 0.60 -0.02 0.46 0.35 -0.69 0.00 0.00 174.62 175.31 1ji6 n THR 464 N 0.21 0.45 0.07 -0.82 -2.24 -1.26 -4.19 114.28 106.50 1ji6 n THR 464 Ca -0.18 -0.60 -0.09 0.00 -2.27 0.00 0.00 64.05 60.91 1ji6 n THR 464 Cb 0.61 -0.19 0.06 0.00 -2.10 0.00 0.00 70.33 68.72 1ji6 n THR 464 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ji6 n ASP 465 N -2.45 3.67 -3.83 3.42 5.75 -1.26 -4.75 116.55 117.10 1ji6 n ASP 465 Ca -0.11 -2.62 -0.13 0.00 -0.01 0.00 0.00 54.79 51.93 1ji6 n ASP 465 Cb 0.72 -0.68 -0.14 0.00 -1.03 0.00 0.00 41.12 39.98 1ji6 n ASP 465 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1ji6 s GLU 466 N -1.20 0.02 0.12 0.11 0.41 -1.26 -5.10 118.70 111.79 1ji6 s GLU 466 Ca 0.21 0.10 -0.34 0.00 -0.41 0.00 0.00 54.97 54.53 1ji6 s GLU 466 Cb 0.17 -0.06 -0.13 0.00 -1.78 0.00 0.00 34.13 32.33 1ji6 s GLU 466 CO 0.03 -0.05 1.65 -0.35 -0.49 0.00 0.00 175.26 176.05 1ji6 n PRO 467 N 3.42 2.22 -0.31 0.39 -0.04 -1.26 -4.66 135.00 134.75 1ji6 n PRO 467 Ca -0.17 0.80 0.10 0.00 -0.04 0.00 0.00 63.50 64.19 1ji6 n PRO 467 Cb 0.57 -2.60 0.20 0.00 -0.04 0.00 0.00 33.50 31.64 1ji6 n PRO 467 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1ji6 n LEU 468 N 4.13 -0.19 0.00 1.53 7.94 -1.26 0.53 117.00 129.68 1ji6 n LEU 468 Ca 0.18 1.50 0.04 0.00 -1.11 0.00 0.00 56.01 56.62 1ji6 n LEU 468 Cb 0.30 -0.51 0.21 0.00 0.53 0.00 0.00 43.42 43.95 1ji6 n LEU 468 CO 0.65 -1.48 0.58 -1.84 -1.11 0.00 0.00 177.39 174.19 1ji6 n GLU 469 N -5.34 0.10 0.00 1.96 0.00 -1.26 -0.19 120.64 115.91 1ji6 n GLU 469 Ca 0.18 0.23 0.01 0.00 0.00 0.00 0.00 57.16 57.58 1ji6 n GLU 469 Cb 0.58 -1.50 -0.01 0.00 0.00 0.00 0.00 31.44 30.51 1ji6 n GLU 469 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1ji6 n LYS 470 N -1.32 4.82 0.00 3.44 5.02 0.19 -4.71 118.16 125.60 1ji6 n LYS 470 Ca 0.04 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1ji6 n LYS 470 Cb 0.07 -0.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 1ji6 n LYS 470 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ji6 n ALA 471 N -0.79 1.83 -1.36 7.82 0.00 -0.19 -4.92 120.51 122.89 1ji6 n ALA 471 Ca 0.01 -0.36 -0.36 0.00 0.00 0.00 0.00 53.44 52.73 1ji6 n ALA 471 Cb 0.04 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.57 1ji6 n ALA 471 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1ji6 n TYR 472 N -0.02 0.59 0.25 0.00 0.18 0.73 0.27 117.16 119.16 1ji6 n TYR 472 Ca 0.00 0.39 0.08 0.00 1.88 0.00 0.00 57.90 60.25 1ji6 n TYR 472 Cb 0.06 -2.07 -0.12 0.00 -0.38 0.00 0.00 39.34 36.83 1ji6 n TYR 472 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1ji6 n SER 473 N -1.56 1.06 -3.87 9.48 3.41 -1.26 -4.59 113.62 116.28 1ji6 n SER 473 Ca 0.13 -0.29 -0.09 0.00 -0.26 0.00 0.00 58.87 58.36 1ji6 n SER 473 Cb 0.49 1.51 -0.08 0.00 -0.26 0.00 0.00 64.21 65.87 1ji6 n SER 473 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1ji6 s HIS 474 N -2.94 0.16 0.14 7.33 3.76 -1.26 -1.66 115.29 120.81 1ji6 s HIS 474 Ca -0.02 -0.54 0.09 0.00 -0.15 0.00 0.00 55.06 54.43 1ji6 s HIS 474 Cb 0.11 -0.08 -0.04 0.00 1.11 0.00 0.00 32.58 33.68 1ji6 s HIS 474 CO 0.68 -0.50 -0.20 1.14 -0.85 0.00 0.00 174.74 175.01 1ji6 s GLN 475 N -3.53 1.24 0.35 1.40 -2.07 0.07 -4.60 119.66 112.53 1ji6 s GLN 475 Ca 0.02 -1.32 -0.27 0.00 -1.82 0.00 0.00 55.36 51.97 1ji6 s GLN 475 Cb 0.04 -1.42 -0.09 0.00 -1.09 0.00 0.00 33.01 30.45 1ji6 s GLN 475 CO -0.09 0.31 1.21 -1.17 -1.32 0.00 0.00 175.29 174.23 1ji6 s LEU 476 N -2.34 4.34 0.00 2.60 2.96 -0.14 -1.29 118.68 124.81 1ji6 s LEU 476 Ca 0.12 2.47 0.00 0.00 -0.22 0.00 0.00 54.13 56.50 1ji6 s LEU 476 Cb -0.08 -3.81 0.00 0.00 0.50 0.00 0.00 46.19 42.80 1ji6 s LEU 476 CO 0.06 -0.54 0.00 -3.20 -1.32 0.00 0.00 176.35 171.35 1ji6 n ASN 477 N 0.53 2.76 -3.53 3.68 2.85 0.12 -4.44 115.26 117.23 1ji6 n ASN 477 Ca 0.02 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.34 1ji6 n ASN 477 Cb 0.44 0.26 -0.05 0.00 1.24 0.00 0.00 39.78 41.67 1ji6 n ASN 477 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1ji6 s TYR 478 N -1.56 -0.52 -0.01 1.20 5.04 -0.98 -4.28 117.35 116.24 1ji6 s TYR 478 Ca 0.00 0.66 0.01 0.00 -2.44 0.00 0.00 57.07 55.31 1ji6 s TYR 478 Cb 0.00 0.40 -0.00 0.00 0.35 0.00 0.00 41.96 42.71 1ji6 s TYR 478 CO 0.00 -0.66 -0.05 0.00 -1.34 0.00 0.00 175.55 173.50 1ji6 s ALA 479 N -2.23 0.42 -0.18 3.97 0.00 -1.26 -1.38 121.76 121.09 1ji6 s ALA 479 Ca -0.06 -0.20 -0.10 0.00 0.00 0.00 0.00 51.96 51.60 1ji6 s ALA 479 Cb -0.01 -0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.06 1ji6 s ALA 479 CO 0.00 0.09 0.44 -2.00 0.00 0.00 0.00 175.76 174.30 1ji6 s GLU 480 N -0.05 0.42 0.03 0.00 2.12 -0.30 -4.80 118.70 116.13 1ji6 s GLU 480 Ca 0.01 0.86 -0.16 0.00 0.36 0.00 0.00 54.97 56.03 1ji6 s GLU 480 Cb -0.03 0.02 -0.06 0.00 0.26 0.00 0.00 34.13 34.32 1ji6 s GLU 480 CO -0.00 -0.16 0.47 0.00 -0.54 0.00 0.00 175.26 175.02 1ji6 s PHE 482 N -1.11 2.27 0.10 0.00 0.40 -0.59 -3.67 117.98 115.38 1ji6 s PHE 482 Ca 0.26 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 56.23 1ji6 s PHE 482 Cb -0.18 -1.23 -0.04 0.00 0.51 0.00 0.00 43.02 42.09 1ji6 s PHE 482 CO 0.16 0.33 0.15 -0.51 0.70 0.00 0.00 175.22 176.05 1ji6 s LEU 483 N -2.05 4.02 0.28 -0.37 1.43 -1.26 -1.15 118.68 119.58 1ji6 s LEU 483 Ca 0.13 0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1ji6 s LEU 483 Cb -0.10 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 1ji6 s LEU 483 CO 0.06 0.14 0.49 -0.04 0.23 0.00 0.00 176.35 177.23 1ji6 s MET 484 N -2.66 3.53 0.93 1.70 -1.94 0.25 -4.03 119.30 117.07 1ji6 s MET 484 Ca 0.32 -0.28 -0.14 0.00 -1.71 0.00 0.00 55.69 53.88 1ji6 s MET 484 Cb -0.12 -2.72 0.15 0.00 2.01 0.00 0.00 34.83 34.15 1ji6 s MET 484 CO 0.25 0.25 1.18 -0.65 -0.01 0.00 0.00 175.02 176.04 1ji6 s GLN 485 N -3.83 0.97 -1.76 2.03 -0.21 -0.16 -3.89 119.66 112.81 1ji6 s GLN 485 Ca 0.40 0.08 -0.21 0.00 0.02 0.00 0.00 55.36 55.66 1ji6 s GLN 485 Cb -0.10 -1.84 0.20 0.00 1.00 0.00 0.00 33.01 32.26 1ji6 s GLN 485 CO 0.32 -2.27 0.69 -3.47 -2.12 0.00 0.00 175.29 168.44 1ji6 n ASP 486 N -3.78 -2.61 -4.06 5.90 -0.08 -1.26 -2.56 116.55 108.11 1ji6 n ASP 486 Ca 0.09 -1.09 -0.28 0.00 -1.51 0.00 0.00 54.79 52.00 1ji6 n ASP 486 Cb 0.60 -2.19 -0.08 0.00 2.34 0.00 0.00 41.12 41.79 1ji6 n ASP 486 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1ji6 n ARG 487 N -4.19 -0.91 0.02 -0.67 1.74 -1.25 -4.85 116.66 106.54 1ji6 n ARG 487 Ca 0.10 0.08 0.13 0.00 -0.77 0.00 0.00 57.85 57.39 1ji6 n ARG 487 Cb 0.47 -3.22 0.43 0.00 -1.02 0.00 0.00 32.46 29.12 1ji6 n ARG 487 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ji6 n ARG 488 N -3.97 0.05 0.00 5.56 5.12 -1.06 -5.04 116.66 117.32 1ji6 n ARG 488 Ca -0.21 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.73 1ji6 n ARG 488 Cb 0.56 -1.55 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 1ji6 n ARG 488 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ji6 n GLY 489 N 1.47 0.84 3.02 -0.13 0.00 -1.26 -3.65 105.19 105.47 1ji6 n GLY 489 Ca 0.06 -2.01 -0.23 0.00 0.00 0.00 0.00 46.02 43.84 1ji6 n GLY 489 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ji6 s THR 490 N -2.00 1.01 -0.24 2.61 -4.23 -1.26 -0.58 115.64 110.95 1ji6 s THR 490 Ca 0.00 -0.45 -0.07 0.00 -1.18 0.00 0.00 61.69 59.99 1ji6 s THR 490 Cb 0.00 -0.91 -0.03 0.00 1.34 0.00 0.00 72.50 72.90 1ji6 s THR 490 CO 0.00 0.32 0.06 0.27 -0.54 0.00 0.00 174.62 174.72 1ji6 s ILE 491 N 0.42 4.20 0.46 2.99 -5.25 -0.30 -4.57 121.20 119.15 1ji6 s ILE 491 Ca -0.09 -0.21 -0.10 0.00 -0.99 0.00 0.00 60.65 59.26 1ji6 s ILE 491 Cb -0.13 -2.96 -0.06 0.00 2.95 0.00 0.00 42.46 42.27 1ji6 s ILE 491 CO 0.02 0.35 0.83 -2.84 -1.79 0.00 0.00 174.94 171.52 1ji6 s PRO 492 N 1.58 3.73 -0.02 0.37 0.02 -1.26 -1.54 135.00 137.88 1ji6 s PRO 492 Ca 0.06 0.51 0.06 0.00 0.02 0.00 0.00 61.00 61.65 1ji6 s PRO 492 Cb -0.15 -2.32 -0.01 0.00 0.02 0.00 0.00 34.50 32.04 1ji6 s PRO 492 CO 0.03 -0.17 -0.18 -0.06 -0.33 0.00 0.00 177.00 176.29 1ji6 s PHE 493 N -2.58 1.64 0.20 6.54 0.40 0.06 -1.98 117.98 122.26 1ji6 s PHE 493 Ca 0.52 -0.32 0.08 0.00 -0.60 0.00 0.00 56.93 56.61 1ji6 s PHE 493 Cb -0.10 -1.06 -0.04 0.00 0.51 0.00 0.00 43.02 42.33 1ji6 s PHE 493 CO 0.37 -0.03 0.00 -0.06 0.70 0.00 0.00 175.22 176.20 1ji6 s PHE 494 N -0.41 2.80 -0.05 0.36 2.99 -1.26 -1.15 117.98 121.26 1ji6 s PHE 494 Ca 0.07 -0.16 0.02 0.00 0.00 0.00 0.00 56.93 56.85 1ji6 s PHE 494 Cb -0.07 -1.32 0.01 0.00 0.00 0.00 0.00 43.02 41.64 1ji6 s PHE 494 CO -0.01 0.54 -0.09 0.99 -0.00 0.00 0.00 175.22 176.66 1ji6 s THR 495 N -1.91 0.87 0.18 0.64 2.01 -0.48 -3.38 115.64 113.58 1ji6 s THR 495 Ca 0.29 -0.34 0.10 0.00 0.31 0.00 0.00 61.69 62.05 1ji6 s THR 495 Cb -0.08 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1ji6 s THR 495 CO 0.19 0.29 -0.22 0.26 -0.69 0.00 0.00 174.62 174.45 1ji6 s TRP 496 N 0.66 2.13 0.15 4.92 0.52 0.41 0.14 118.94 127.87 1ji6 s TRP 496 Ca -0.12 -0.39 0.08 0.00 0.02 0.00 0.00 56.10 55.69 1ji6 s TRP 496 Cb -0.14 -1.06 -0.04 0.00 -1.15 0.00 0.00 33.47 31.08 1ji6 s TRP 496 CO 0.02 0.43 -0.18 0.95 0.02 0.00 0.00 176.95 178.19 1ji6 s THR 497 N -1.76 1.74 0.37 2.01 -4.23 -0.41 -1.22 115.64 112.15 1ji6 s THR 497 Ca 0.18 -1.81 -0.27 0.00 -1.18 0.00 0.00 61.69 58.62 1ji6 s THR 497 Cb -0.07 -1.74 -0.09 0.00 1.34 0.00 0.00 72.50 71.93 1ji6 s THR 497 CO 0.09 -0.26 1.26 -2.28 -0.54 0.00 0.00 174.62 172.88 1ji6 s HIS 498 N -1.84 2.99 -0.21 3.99 2.46 -1.26 -0.75 115.29 120.67 1ji6 s HIS 498 Ca 0.13 1.46 0.25 0.00 0.47 0.00 0.00 55.06 57.37 1ji6 s HIS 498 Cb -0.07 -3.58 1.22 0.00 -0.13 0.00 0.00 32.58 30.02 1ji6 s HIS 498 CO 0.06 -1.74 1.75 0.07 -2.47 0.00 0.00 174.74 172.40 1ji6 h ARG 499 N 2.95 0.00 0.00 2.88 -0.00 -1.63 -2.41 114.38 116.17 1ji6 h ARG 499 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.49 1ji6 h ARG 499 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.21 1ji6 h ARG 499 CO 0.64 0.00 0.00 0.66 -0.00 0.00 0.00 179.97 181.27 1ji6 h SER 500 N 0.00 0.00 -2.46 0.08 4.64 -1.87 -3.44 113.55 110.50 1ji6 h SER 500 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1ji6 h SER 500 Cb 0.14 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1ji6 h SER 500 CO 0.00 0.00 1.17 -0.69 -0.87 0.00 0.00 176.83 176.44 1ji6 s VAL 501 N -3.81 3.12 -0.37 0.95 1.01 -0.91 -4.76 120.40 115.62 1ji6 s VAL 501 Ca -0.01 0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.97 1ji6 s VAL 501 Cb 0.10 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.35 1ji6 s VAL 501 CO 0.50 -0.02 0.78 -0.62 0.00 0.00 0.00 175.10 175.75 1ji6 s ASP 502 N 3.91 6.54 0.34 3.32 2.15 -1.26 -4.92 116.67 126.74 1ji6 s ASP 502 Ca 0.83 0.31 0.03 0.00 0.43 0.00 0.00 52.55 54.15 1ji6 s ASP 502 Cb -0.40 -2.40 0.61 0.00 -0.30 0.00 0.00 42.92 40.43 1ji6 s ASP 502 CO 0.38 -0.75 1.95 0.15 -0.17 0.00 0.00 175.17 176.72 1ji6 h PHE 503 N 8.54 0.70 -0.00 -5.34 3.57 -1.97 -2.99 116.94 119.44 1ji6 h PHE 503 Ca -0.25 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1ji6 h PHE 503 Cb 1.09 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1ji6 h PHE 503 CO 0.79 0.53 -0.01 1.19 -2.23 0.00 0.00 178.31 178.58 1ji6 n PHE 504 N -4.37 0.00 -4.04 0.41 3.01 -1.26 -4.09 117.46 107.13 1ji6 n PHE 504 Ca 0.04 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.18 1ji6 n PHE 504 Cb 0.13 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.37 1ji6 n PHE 504 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1ji6 n ASN 505 N -1.21 -3.62 -4.75 4.37 3.02 -1.13 -2.42 115.26 109.52 1ji6 n ASN 505 Ca 0.16 -0.90 -0.41 0.00 -0.03 0.00 0.00 54.58 53.40 1ji6 n ASN 505 Cb 0.23 -3.36 -0.02 0.00 -0.61 0.00 0.00 39.78 36.02 1ji6 n ASN 505 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ji6 s THR 506 N -3.37 2.26 -0.28 3.41 2.01 -1.26 -2.32 115.64 116.09 1ji6 s THR 506 Ca 0.61 0.22 -0.10 0.00 0.31 0.00 0.00 61.69 62.72 1ji6 s THR 506 Cb -0.32 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 1ji6 s THR 506 CO 0.87 0.03 0.15 -0.63 -0.69 0.00 0.00 174.62 174.36 1ji6 s ILE 507 N 0.07 4.85 0.61 1.82 -1.09 0.60 -4.87 121.20 123.20 1ji6 s ILE 507 Ca 0.63 -0.09 -0.17 0.00 -2.23 0.00 0.00 60.65 58.78 1ji6 s ILE 507 Cb -0.46 -3.35 -0.02 0.00 -1.58 0.00 0.00 42.46 37.05 1ji6 s ILE 507 CO 0.45 0.22 1.13 -0.62 -1.23 0.00 0.00 174.94 174.90 1ji6 s ASP 508 N 1.68 5.27 0.21 3.58 2.15 -1.26 -4.56 116.67 123.74 1ji6 s ASP 508 Ca 0.06 2.13 0.23 0.00 0.43 0.00 0.00 52.55 55.40 1ji6 s ASP 508 Cb -0.16 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 39.91 1ji6 s ASP 508 CO 0.08 -1.52 1.07 0.00 -0.17 0.00 0.00 175.17 174.62 1ji6 h ALA 509 N 0.53 0.52 0.00 3.66 0.00 -1.92 -3.41 119.26 118.63 1ji6 h ALA 509 Ca -0.48 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 1ji6 h ALA 509 Cb 1.26 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1ji6 h ALA 509 CO 0.55 0.00 -1.66 0.39 0.00 0.00 0.00 179.25 178.52 1ji6 n GLU 510 N -2.68 0.31 -1.68 0.00 -0.58 -1.26 -4.85 120.64 109.91 1ji6 n GLU 510 Ca 0.00 0.13 -0.29 0.00 -0.42 0.00 0.00 57.16 56.58 1ji6 n GLU 510 Cb 0.55 -1.02 0.09 0.00 -0.57 0.00 0.00 31.44 30.49 1ji6 n GLU 510 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1ji6 s LYS 511 N -2.29 1.97 -0.05 3.49 1.02 -1.26 -4.75 119.74 117.87 1ji6 s LYS 511 Ca -0.20 0.42 -0.23 0.00 0.02 0.00 0.00 55.97 55.98 1ji6 s LYS 511 Cb 0.07 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.42 1ji6 s LYS 511 CO 0.25 -1.65 0.70 0.42 -0.92 0.00 0.00 175.35 174.15 1ji6 s ILE 512 N -3.30 5.00 -0.16 2.17 1.01 -0.97 -4.53 121.20 120.41 1ji6 s ILE 512 Ca 0.61 1.45 -0.03 0.00 0.00 0.00 0.00 60.65 62.68 1ji6 s ILE 512 Cb -0.13 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 1ji6 s ILE 512 CO 0.53 0.28 -0.06 -0.89 0.00 0.00 0.00 174.94 174.79 1ji6 s THR 513 N 0.61 3.55 -0.21 2.92 2.01 -0.21 -0.18 115.64 124.14 1ji6 s THR 513 Ca 0.37 -0.47 -0.11 0.00 0.31 0.00 0.00 61.69 61.79 1ji6 s THR 513 Cb -0.18 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.73 1ji6 s THR 513 CO 0.19 0.49 0.19 -1.10 -0.69 0.00 0.00 174.62 173.69 1ji6 s GLN 514 N 0.60 4.16 -0.36 4.92 -0.21 0.12 -0.23 119.66 128.65 1ji6 s GLN 514 Ca -0.04 -0.15 -0.02 0.00 0.02 0.00 0.00 55.36 55.16 1ji6 s GLN 514 Cb -0.15 -3.47 0.08 0.00 1.00 0.00 0.00 33.01 30.47 1ji6 s GLN 514 CO 0.03 0.18 0.11 -1.17 -2.12 0.00 0.00 175.29 172.32 1ji6 s LEU 515 N 0.70 4.67 0.33 2.90 2.96 0.13 -4.65 118.68 125.72 1ji6 s LEU 515 Ca 0.10 -1.71 -0.29 0.00 -0.22 0.00 0.00 54.13 52.01 1ji6 s LEU 515 Cb -0.12 -1.77 -0.11 0.00 0.50 0.00 0.00 46.19 44.68 1ji6 s LEU 515 CO 0.02 -0.42 1.55 -2.84 -1.32 0.00 0.00 176.35 173.34 1ji6 s PRO 516 N 1.18 4.11 0.56 0.98 0.02 -1.26 -1.05 135.00 139.54 1ji6 s PRO 516 Ca 0.03 2.59 0.37 0.00 0.02 0.00 0.00 61.00 64.01 1ji6 s PRO 516 Cb -0.21 -2.99 1.88 0.00 0.02 0.00 0.00 34.50 33.19 1ji6 s PRO 516 CO -0.03 -0.60 2.13 -0.24 -0.33 0.00 0.00 177.00 177.93 1ji6 h VAL 517 N 3.19 0.00 0.00 3.83 3.04 -1.50 -1.20 116.25 123.60 1ji6 h VAL 517 Ca -0.49 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 1ji6 h VAL 517 Cb 1.23 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 1ji6 h VAL 517 CO 0.72 0.00 0.00 1.33 -1.01 0.00 0.00 177.57 178.61 1ji6 n VAL 518 N -2.92 0.01 1.41 1.51 0.24 -1.26 -2.83 118.33 114.49 1ji6 n VAL 518 Ca -0.01 0.00 0.14 0.00 -2.04 0.00 0.00 64.34 62.43 1ji6 n VAL 518 Cb 0.14 -0.51 0.54 0.00 -1.47 0.00 0.00 33.84 32.54 1ji6 n VAL 518 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1ji6 n LYS 519 N -1.07 0.97 -0.94 7.34 4.76 -0.45 -0.78 118.16 127.99 1ji6 n LYS 519 Ca 0.21 -0.46 -0.31 0.00 -2.87 0.00 0.00 58.31 54.87 1ji6 n LYS 519 Cb 0.14 -1.49 0.14 0.00 -1.84 0.00 0.00 35.03 31.98 1ji6 n LYS 519 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ji6 s ALA 520 N -2.35 1.76 -1.08 7.82 0.00 -1.13 -4.59 121.76 122.19 1ji6 s ALA 520 Ca 0.31 0.54 0.15 0.00 0.00 0.00 0.00 51.96 52.96 1ji6 s ALA 520 Cb 0.20 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.83 1ji6 s ALA 520 CO 0.45 -2.39 0.74 2.48 0.00 0.00 0.00 175.76 177.04 1ji6 n TYR 521 N -3.86 0.00 -3.83 0.00 0.18 -0.42 -4.55 117.16 104.68 1ji6 n TYR 521 Ca 0.11 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.79 1ji6 n TYR 521 Cb 0.52 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.40 1ji6 n TYR 521 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1ji6 s ALA 522 N -2.14 -0.40 0.06 -3.48 0.00 -1.23 -4.86 121.76 109.71 1ji6 s ALA 522 Ca 0.09 -0.29 -0.00 0.00 0.00 0.00 0.00 51.96 51.77 1ji6 s ALA 522 Cb 0.12 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1ji6 s ALA 522 CO 0.51 -0.40 -0.04 -0.51 0.00 0.00 0.00 175.76 175.32 1ji6 s LEU 523 N -2.22 2.45 0.29 0.00 1.43 -1.26 -2.89 118.68 116.49 1ji6 s LEU 523 Ca -0.03 -0.91 0.04 0.00 -1.03 0.00 0.00 54.13 52.19 1ji6 s LEU 523 Cb -0.00 0.10 -0.03 0.00 0.03 0.00 0.00 46.19 46.29 1ji6 s LEU 523 CO -0.05 -0.51 0.44 -0.94 0.23 0.00 0.00 176.35 175.53 1ji6 s SER 524 N -2.70 6.24 0.51 2.29 1.04 0.12 -4.94 113.70 116.25 1ji6 s SER 524 Ca 0.04 0.15 0.31 0.00 0.48 0.00 0.00 55.95 56.94 1ji6 s SER 524 Cb 0.04 -1.81 1.43 0.00 0.10 0.00 0.00 66.02 65.78 1ji6 s SER 524 CO -0.07 -0.22 1.82 0.28 0.98 0.00 0.00 173.24 176.04 1ji6 h SER 525 N 0.97 0.10 -0.21 7.02 0.02 -1.92 -1.69 113.55 117.85 1ji6 h SER 525 Ca -0.50 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1ji6 h SER 525 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1ji6 h SER 525 CO 0.60 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.92 1ji6 n GLY 526 N -1.69 0.31 3.28 -3.77 0.00 -1.26 -4.85 105.19 97.21 1ji6 n GLY 526 Ca 0.23 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1ji6 n GLY 526 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ji6 s ALA 527 N -1.73 1.97 0.03 4.61 0.00 -0.64 0.01 121.76 126.01 1ji6 s ALA 527 Ca 0.29 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.20 1ji6 s ALA 527 Cb 0.15 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 1ji6 s ALA 527 CO 0.22 0.47 -0.09 -1.54 0.00 0.00 0.00 175.76 174.82 1ji6 s SER 528 N -0.86 1.03 -0.07 0.00 1.04 -0.72 -4.71 113.70 109.41 1ji6 s SER 528 Ca 0.09 -0.40 -0.24 0.00 0.48 0.00 0.00 55.95 55.88 1ji6 s SER 528 Cb -0.09 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.96 1ji6 s SER 528 CO 0.00 -0.06 0.72 -0.63 0.98 0.00 0.00 173.24 174.25 1ji6 s ILE 529 N -0.89 5.03 0.20 -1.02 -1.09 -1.26 -0.22 121.20 121.95 1ji6 s ILE 529 Ca -0.03 1.48 0.10 0.00 -2.23 0.00 0.00 60.65 59.96 1ji6 s ILE 529 Cb -0.07 -4.06 -0.05 0.00 -1.58 0.00 0.00 42.46 36.70 1ji6 s ILE 529 CO 0.01 0.23 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.13 1ji6 s ILE 530 N 0.93 2.03 0.23 2.92 1.01 0.27 -4.69 121.20 123.91 1ji6 s ILE 530 Ca 0.38 -2.12 -0.30 0.00 0.00 0.00 0.00 60.65 58.61 1ji6 s ILE 530 Cb -0.18 -2.04 -0.10 0.00 0.01 0.00 0.00 42.46 40.15 1ji6 s ILE 530 CO 0.18 -0.37 1.51 -0.70 0.00 0.00 0.00 174.94 175.56 1ji6 s GLU 531 N -3.14 4.22 0.71 2.79 2.12 -1.26 -1.59 118.70 122.54 1ji6 s GLU 531 Ca 0.21 2.38 -0.13 0.00 0.36 0.00 0.00 54.97 57.80 1ji6 s GLU 531 Cb -0.05 -3.10 0.02 0.00 0.26 0.00 0.00 34.13 31.26 1ji6 s GLU 531 CO 0.09 -0.52 1.09 0.20 -0.54 0.00 0.00 175.26 175.58 1ji6 s GLY 532 N 0.63 1.88 0.45 -1.50 0.00 -1.25 -4.63 107.32 102.89 1ji6 s GLY 532 Ca 0.63 0.35 0.11 0.00 0.00 0.00 0.00 44.72 45.81 1ji6 s GLY 532 CO 0.40 0.69 2.06 -0.56 0.00 0.00 0.00 173.10 175.69 1ji6 h PRO 533 N -0.53 0.24 0.00 2.90 0.13 -1.91 -3.47 132.00 129.36 1ji6 h PRO 533 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ji6 h PRO 533 Cb 1.23 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ji6 h PRO 533 CO 0.54 0.22 0.00 0.41 -0.23 0.00 0.00 178.00 178.94 1ji6 n GLY 534 N -1.33 1.43 1.36 1.56 0.00 -1.26 -4.97 105.19 101.98 1ji6 n GLY 534 Ca -0.00 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.02 1ji6 n GLY 534 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ji6 n PHE 535 N 0.00 1.33 0.68 1.61 1.16 -1.26 -4.44 117.46 116.55 1ji6 n PHE 535 Ca 0.00 -0.67 0.08 0.00 -1.87 0.00 0.00 57.45 54.99 1ji6 n PHE 535 Cb 0.00 -0.27 0.02 0.00 -1.61 0.00 0.00 39.48 37.62 1ji6 n PHE 535 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1ji6 n THR 536 N 0.62 0.00 -0.99 1.97 -2.24 -1.26 -4.37 114.28 108.01 1ji6 n THR 536 Ca 0.23 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1ji6 n THR 536 Cb 0.88 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 70.35 1ji6 n THR 536 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ji6 n GLY 537 N 1.05 0.57 0.00 3.38 0.00 -1.26 -4.91 105.19 104.01 1ji6 n GLY 537 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1ji6 n GLY 537 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ji6 n GLY 538 N -2.41 -0.64 4.01 -0.02 0.00 -1.26 -1.64 105.19 103.23 1ji6 n GLY 538 Ca 0.00 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 1ji6 n GLY 538 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ji6 s ASN 539 N -4.00 5.36 0.37 1.61 0.01 -1.26 -3.79 114.94 113.24 1ji6 s ASN 539 Ca 0.00 -0.51 0.08 0.00 -0.71 0.00 0.00 52.86 51.73 1ji6 s ASN 539 Cb 0.00 -0.34 -0.07 0.00 0.41 0.00 0.00 41.25 41.25 1ji6 s ASN 539 CO 0.00 -1.06 -0.05 -0.76 -1.51 0.00 0.00 177.10 173.72 1ji6 s LEU 540 N -4.55 2.80 -0.19 0.60 1.43 -0.62 -4.79 118.68 113.35 1ji6 s LEU 540 Ca 0.58 -1.27 -0.06 0.00 -1.03 0.00 0.00 54.13 52.35 1ji6 s LEU 540 Cb -0.08 -0.96 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 1ji6 s LEU 540 CO 0.36 -0.31 0.02 -0.22 0.23 0.00 0.00 176.35 176.43 1ji6 s LEU 541 N -3.65 3.45 -0.16 1.79 0.20 -0.70 -0.56 118.68 119.03 1ji6 s LEU 541 Ca 0.34 -0.10 -0.08 0.00 0.69 0.00 0.00 54.13 54.97 1ji6 s LEU 541 Cb 0.06 -1.87 -0.04 0.00 -0.43 0.00 0.00 46.19 43.90 1ji6 s LEU 541 CO 0.17 0.10 0.13 0.12 -0.29 0.00 0.00 176.35 176.58 1ji6 s PHE 542 N 0.78 3.47 -0.34 5.38 5.36 0.69 -1.34 117.98 131.98 1ji6 s PHE 542 Ca 0.01 0.39 -0.11 0.00 -0.96 0.00 0.00 56.93 56.26 1ji6 s PHE 542 Cb -0.14 -2.05 0.00 0.00 -0.34 0.00 0.00 43.02 40.49 1ji6 s PHE 542 CO 0.02 0.47 0.20 -1.17 -1.46 0.00 0.00 175.22 173.29 1ji6 s LEU 543 N -0.25 4.48 -0.23 6.12 2.96 -0.53 -1.76 118.68 129.46 1ji6 s LEU 543 Ca 0.11 -0.66 -0.10 0.00 -0.22 0.00 0.00 54.13 53.26 1ji6 s LEU 543 Cb -0.12 -2.06 -0.10 0.00 0.50 0.00 0.00 46.19 44.41 1ji6 s LEU 543 CO 0.01 -0.28 -0.29 0.29 -1.32 0.00 0.00 176.35 174.76 1ji6 n LYS 544 N 5.04 0.50 -3.97 1.98 5.02 0.10 -4.36 118.16 122.47 1ji6 n LYS 544 Ca -0.13 0.21 -0.28 0.00 -2.02 0.00 0.00 58.31 56.09 1ji6 n LYS 544 Cb 0.48 -1.34 -0.17 0.00 -0.02 0.00 0.00 35.03 33.99 1ji6 n LYS 544 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ji6 s GLU 545 N -2.43 1.77 0.28 1.97 2.02 -0.26 -4.89 118.70 117.17 1ji6 s GLU 545 Ca -0.32 -0.35 -0.29 0.00 0.02 0.00 0.00 54.97 54.02 1ji6 s GLU 545 Cb 0.12 -1.74 -0.10 0.00 0.10 0.00 0.00 34.13 32.52 1ji6 s GLU 545 CO 0.42 -0.24 1.15 0.45 0.02 0.00 0.00 175.26 177.06 1ji6 s SER 546 N 1.59 7.14 0.33 -0.19 0.15 -1.26 -4.33 113.70 117.13 1ji6 s SER 546 Ca 0.04 2.35 -0.03 0.00 0.70 0.00 0.00 55.95 59.02 1ji6 s SER 546 Cb -0.13 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1ji6 s SER 546 CO -0.08 -0.25 0.46 -0.94 1.20 0.00 0.00 173.24 173.62 1ji6 s SER 547 N -0.67 0.86 0.24 5.45 1.04 -1.26 -4.84 113.70 114.52 1ji6 s SER 547 Ca 0.46 -1.46 0.23 0.00 0.48 0.00 0.00 55.95 55.67 1ji6 s SER 547 Cb -0.34 0.65 0.20 0.00 0.10 0.00 0.00 66.02 66.63 1ji6 s SER 547 CO 0.43 -1.27 1.27 -1.13 0.98 0.00 0.00 173.24 173.52 1ji6 h ASN 548 N 2.13 0.00 -2.18 7.02 -0.00 -1.88 0.16 115.58 120.83 1ji6 h ASN 548 Ca -0.28 -0.05 -0.56 0.00 -0.00 0.00 0.00 56.30 55.41 1ji6 h ASN 548 Cb 1.24 0.00 -0.41 0.00 -0.00 0.00 0.00 38.32 39.15 1ji6 h ASN 548 CO 0.39 0.03 -0.83 -1.20 -0.00 0.00 0.00 177.43 175.82 1ji6 n SER 549 N -2.61 3.10 -0.18 1.15 7.64 -1.26 -3.34 113.62 118.12 1ji6 n SER 549 Ca 0.02 -3.41 -0.04 0.00 1.01 0.00 0.00 58.87 56.46 1ji6 n SER 549 Cb 0.51 -0.59 0.06 0.00 -1.01 0.00 0.00 64.21 63.18 1ji6 n SER 549 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ji6 h ILE 550 N 2.37 0.95 -2.63 0.44 2.04 -1.31 -3.36 117.51 116.01 1ji6 h ILE 550 Ca 0.13 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.70 1ji6 h ILE 550 Cb 0.68 0.37 -0.21 0.00 -0.74 0.00 0.00 36.82 36.91 1ji6 h ILE 550 CO 0.71 0.10 -0.13 0.00 0.00 0.00 0.00 178.15 178.83 1ji6 s ALA 551 N -6.12 -1.16 0.02 1.87 0.00 -1.18 -0.71 121.76 114.48 1ji6 s ALA 551 Ca -0.13 0.95 0.08 0.00 0.00 0.00 0.00 51.96 52.86 1ji6 s ALA 551 Cb 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 1ji6 s ALA 551 CO 0.74 -0.27 -0.25 0.15 0.00 0.00 0.00 175.76 176.13 1ji6 s LYS 552 N -0.67 1.82 0.09 0.00 1.02 -1.14 -1.39 119.74 119.47 1ji6 s LYS 552 Ca -0.08 -1.01 0.02 0.00 0.02 0.00 0.00 55.97 54.92 1ji6 s LYS 552 Cb -0.03 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.33 1ji6 s LYS 552 CO 0.04 0.50 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.84 1ji6 s PHE 553 N -0.73 0.88 -0.05 3.18 0.40 0.11 -1.30 117.98 120.48 1ji6 s PHE 553 Ca 0.10 -0.78 0.04 0.00 -0.60 0.00 0.00 56.93 55.70 1ji6 s PHE 553 Cb -0.10 -0.50 -0.00 0.00 0.51 0.00 0.00 43.02 42.93 1ji6 s PHE 553 CO 0.01 -0.10 -0.18 0.21 0.70 0.00 0.00 175.22 175.85 1ji6 s LYS 554 N -3.17 1.98 0.26 0.44 2.20 -1.26 -0.45 119.74 119.74 1ji6 s LYS 554 Ca 0.06 -0.65 0.09 0.00 -0.36 0.00 0.00 55.97 55.11 1ji6 s LYS 554 Cb 0.01 -1.68 -0.05 0.00 -1.51 0.00 0.00 37.83 34.60 1ji6 s LYS 554 CO -0.03 0.24 -0.15 0.14 -0.36 0.00 0.00 175.35 175.19 1ji6 s VAL 555 N 0.09 2.07 -0.13 4.02 -7.23 -0.84 -4.75 120.40 113.64 1ji6 s VAL 555 Ca -0.06 -2.27 0.00 0.00 -1.81 0.00 0.00 61.98 57.84 1ji6 s VAL 555 Cb -0.13 -2.28 -0.01 0.00 0.56 0.00 0.00 36.38 34.52 1ji6 s VAL 555 CO 0.03 -0.43 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.36 1ji6 s THR 556 N -2.76 2.96 0.08 5.32 2.01 -0.98 -4.39 115.64 117.88 1ji6 s THR 556 Ca 0.28 -0.69 0.07 0.00 0.31 0.00 0.00 61.69 61.66 1ji6 s THR 556 Cb -0.01 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.23 1ji6 s THR 556 CO 0.12 0.53 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.62 1ji6 s LEU 557 N 0.37 2.25 0.50 4.42 1.02 -1.26 -0.29 118.68 125.68 1ji6 s LEU 557 Ca -0.11 -0.61 0.08 0.00 0.02 0.00 0.00 54.13 53.50 1ji6 s LEU 557 Cb -0.16 -0.86 0.04 0.00 0.02 0.00 0.00 46.19 45.22 1ji6 s LEU 557 CO 0.06 0.08 0.58 0.54 0.02 0.00 0.00 176.35 177.62 1ji6 s ASN 558 N -1.61 5.11 0.20 2.29 2.20 -1.26 -4.87 114.94 117.00 1ji6 s ASN 558 Ca 0.06 -0.82 -0.11 0.00 -0.94 0.00 0.00 52.86 51.05 1ji6 s ASN 558 Cb -0.09 -0.07 0.25 0.00 -2.00 0.00 0.00 41.25 39.34 1ji6 s ASN 558 CO 0.03 -1.02 1.70 0.28 -2.94 0.00 0.00 177.10 175.15 1ji6 h SER 559 N 0.58 -0.04 -0.87 3.54 0.02 -1.99 0.40 113.55 115.19 1ji6 h SER 559 Ca -0.36 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 1ji6 h SER 559 Cb 1.28 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.94 1ji6 h SER 559 CO 0.49 -0.00 0.45 0.00 -1.14 0.00 0.00 176.83 176.62 1ji6 h ALA 560 N 1.45 1.11 0.00 3.77 0.00 -2.00 -1.97 119.26 121.62 1ji6 h ALA 560 Ca 0.29 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1ji6 h ALA 560 Cb 0.42 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ji6 h ALA 560 CO -0.39 0.65 -0.14 0.00 0.00 0.00 0.00 179.25 179.37 1ji6 h ALA 561 N 1.24 1.02 0.00 0.00 0.00 -1.35 -2.94 119.26 117.23 1ji6 h ALA 561 Ca 0.30 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 1ji6 h ALA 561 Cb 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1ji6 h ALA 561 CO -0.04 0.18 -0.87 -0.07 0.00 0.00 0.00 179.25 178.44 1ji6 h LEU 562 N 0.00 0.00 0.00 0.00 3.38 0.46 -3.18 115.31 115.97 1ji6 h LEU 562 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ji6 h LEU 562 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1ji6 h LEU 562 CO 0.02 0.87 0.00 0.18 0.09 0.00 0.00 178.44 179.60 1ji6 n LEU 563 N -3.45 0.00 -4.96 1.67 4.77 -1.02 -4.64 117.00 109.37 1ji6 n LEU 563 Ca -0.00 0.23 -0.22 0.00 -0.03 0.00 0.00 56.01 55.99 1ji6 n LEU 563 Cb 0.85 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 1ji6 n LEU 563 CO 0.45 -0.01 0.03 -1.58 -1.33 0.00 0.00 177.39 174.95 1ji6 s GLN 564 N -2.46 3.44 0.19 3.23 2.00 -1.20 -5.12 119.66 119.74 1ji6 s GLN 564 Ca 0.31 -0.64 0.10 0.00 -2.00 0.00 0.00 55.36 53.13 1ji6 s GLN 564 Cb 0.20 -2.82 -0.04 0.00 0.80 0.00 0.00 33.01 31.15 1ji6 s GLN 564 CO 0.43 0.33 -0.17 1.03 -0.50 0.00 0.00 175.29 176.42 1ji6 s ARG 565 N -4.09 1.79 0.01 1.67 0.52 -1.26 -4.50 118.95 113.09 1ji6 s ARG 565 Ca 0.36 -1.42 0.03 0.00 -0.52 0.00 0.00 55.73 54.18 1ji6 s ARG 565 Cb -0.09 -1.99 -0.01 0.00 0.52 0.00 0.00 34.95 33.38 1ji6 s ARG 565 CO 0.31 0.41 -0.10 0.71 0.02 0.00 0.00 175.30 176.65 1ji6 s TYR 566 N -1.76 0.93 -0.02 -0.53 1.51 0.21 -0.78 117.35 116.91 1ji6 s TYR 566 Ca 0.23 -0.23 -0.10 0.00 -1.01 0.00 0.00 57.07 55.97 1ji6 s TYR 566 Cb -0.08 -0.58 -0.05 0.00 -0.11 0.00 0.00 41.96 41.13 1ji6 s TYR 566 CO 0.13 -0.01 0.30 0.50 -1.11 0.00 0.00 175.55 175.36 1ji6 s ARG 567 N -0.51 3.69 -0.13 -0.62 3.52 0.47 -0.37 118.95 125.01 1ji6 s ARG 567 Ca 0.02 0.12 -0.02 0.00 -0.13 0.00 0.00 55.73 55.72 1ji6 s ARG 567 Cb -0.05 -3.15 -0.03 0.00 -1.56 0.00 0.00 34.95 30.16 1ji6 s ARG 567 CO 0.00 0.69 -0.06 0.08 -0.81 0.00 0.00 175.30 175.20 1ji6 s VAL 568 N -1.16 3.73 0.07 7.11 1.01 -1.26 -0.93 120.40 128.97 1ji6 s VAL 568 Ca 0.23 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 61.87 1ji6 s VAL 568 Cb -0.14 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1ji6 s VAL 568 CO 0.12 0.52 -0.23 -0.13 0.00 0.00 0.00 175.10 175.38 1ji6 s ARG 569 N 0.09 1.44 -0.10 2.72 0.52 -0.49 -3.45 118.95 119.68 1ji6 s ARG 569 Ca -0.02 -1.09 0.00 0.00 -0.52 0.00 0.00 55.73 54.11 1ji6 s ARG 569 Cb -0.14 -1.66 0.02 0.00 0.52 0.00 0.00 34.95 33.70 1ji6 s ARG 569 CO 0.03 0.41 -0.09 0.42 0.02 0.00 0.00 175.30 176.09 1ji6 s ILE 570 N -0.91 1.08 -0.28 1.52 1.01 0.15 0.05 121.20 123.82 1ji6 s ILE 570 Ca 0.09 -0.35 -0.21 0.00 0.00 0.00 0.00 60.65 60.18 1ji6 s ILE 570 Cb -0.10 -1.07 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 1ji6 s ILE 570 CO 0.03 0.37 0.67 -0.60 0.00 0.00 0.00 174.94 175.41 1ji6 s ARG 571 N 1.46 4.02 0.35 2.79 3.52 -0.35 -1.70 118.95 129.03 1ji6 s ARG 571 Ca 0.01 0.49 0.01 0.00 -0.13 0.00 0.00 55.73 56.10 1ji6 s ARG 571 Cb -0.13 -3.69 -0.00 0.00 -1.56 0.00 0.00 34.95 29.56 1ji6 s ARG 571 CO -0.06 -0.52 0.43 1.52 -0.81 0.00 0.00 175.30 175.87 1ji6 s TYR 572 N 2.63 1.30 -0.11 5.12 -0.85 -0.75 -1.33 117.35 123.37 1ji6 s TYR 572 Ca 0.27 -1.43 -0.05 0.00 -0.52 0.00 0.00 57.07 55.34 1ji6 s TYR 572 Cb -0.15 -0.26 0.05 0.00 0.38 0.00 0.00 41.96 41.98 1ji6 s TYR 572 CO 0.10 -1.09 0.26 0.00 -1.52 0.00 0.00 175.55 173.30 1ji6 s ALA 573 N -3.05 -0.59 0.01 9.51 0.00 -0.27 -0.69 121.76 126.67 1ji6 s ALA 573 Ca 0.33 1.03 -0.18 0.00 0.00 0.00 0.00 51.96 53.15 1ji6 s ALA 573 Cb 0.00 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.46 1ji6 s ALA 573 CO 0.23 -0.25 0.39 0.45 0.00 0.00 0.00 175.76 176.59 1ji6 s SER 574 N 1.39 -0.27 0.00 0.00 0.15 -1.26 -0.28 113.70 113.42 1ji6 s SER 574 Ca -0.08 0.11 0.26 0.00 0.70 0.00 0.00 55.95 56.94 1ji6 s SER 574 Cb -0.10 0.38 0.66 0.00 -1.71 0.00 0.00 66.02 65.25 1ji6 s SER 574 CO -0.09 -0.56 1.52 0.35 1.20 0.00 0.00 173.24 175.67 1ji6 n THR 575 N 0.90 0.00 -3.93 6.45 -2.24 -0.31 -0.40 114.28 114.75 1ji6 n THR 575 Ca -0.20 -0.33 -0.09 0.00 -2.27 0.00 0.00 64.05 61.15 1ji6 n THR 575 Cb 0.58 0.90 -0.07 0.00 -2.10 0.00 0.00 70.33 69.63 1ji6 n THR 575 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1ji6 s THR 576 N -2.06 0.09 0.49 4.28 -4.23 -1.26 -4.82 115.64 108.13 1ji6 s THR 576 Ca 0.32 -1.33 -0.16 0.00 -1.18 0.00 0.00 61.69 59.34 1ji6 s THR 576 Cb 0.20 -1.67 -0.08 0.00 1.34 0.00 0.00 72.50 72.29 1ji6 s THR 576 CO 0.35 -0.42 0.95 0.20 -0.54 0.00 0.00 174.62 175.15 1ji6 s ASN 577 N -2.93 6.65 0.04 3.99 -0.87 -1.26 -3.54 114.94 117.01 1ji6 s ASN 577 Ca 0.13 1.53 -0.28 0.00 -1.57 0.00 0.00 52.86 52.67 1ji6 s ASN 577 Cb 0.04 -2.49 0.09 0.00 -0.02 0.00 0.00 41.25 38.87 1ji6 s ASN 577 CO -0.04 -0.53 1.00 -0.22 -2.57 0.00 0.00 177.10 174.74 1ji6 s LEU 578 N -3.93 -0.22 -0.04 0.60 2.96 -0.45 -4.95 118.68 112.64 1ji6 s LEU 578 Ca 0.58 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1ji6 s LEU 578 Cb -0.10 1.93 -0.03 0.00 0.50 0.00 0.00 46.19 48.49 1ji6 s LEU 578 CO 0.29 -0.66 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.49 1ji6 s ARG 579 N -3.03 2.74 0.27 1.98 0.52 -1.26 0.11 118.95 120.28 1ji6 s ARG 579 Ca 0.10 -0.58 0.12 0.00 -0.52 0.00 0.00 55.73 54.85 1ji6 s ARG 579 Cb -0.00 -2.61 -0.05 0.00 0.52 0.00 0.00 34.95 32.81 1ji6 s ARG 579 CO -0.03 0.65 -0.20 -0.51 0.02 0.00 0.00 175.30 175.23 1ji6 s LEU 580 N -1.08 2.58 0.01 2.53 1.43 0.37 -2.94 118.68 121.58 1ji6 s LEU 580 Ca 0.15 -1.02 0.04 0.00 -1.03 0.00 0.00 54.13 52.27 1ji6 s LEU 580 Cb -0.11 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 1ji6 s LEU 580 CO 0.04 0.04 -0.12 -0.36 0.23 0.00 0.00 176.35 176.18 1ji6 s PHE 581 N -2.45 1.08 -0.07 0.29 0.40 -0.46 0.11 117.98 116.87 1ji6 s PHE 581 Ca 0.29 -0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.39 1ji6 s PHE 581 Cb -0.05 -0.67 0.01 0.00 0.51 0.00 0.00 43.02 42.81 1ji6 s PHE 581 CO 0.14 -0.00 -0.17 0.08 0.70 0.00 0.00 175.22 175.98 1ji6 s VAL 582 N -0.52 1.46 0.08 -0.44 1.01 -0.24 -0.75 120.40 120.99 1ji6 s VAL 582 Ca 0.03 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.37 1ji6 s VAL 582 Cb -0.06 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1ji6 s VAL 582 CO 0.00 0.42 -0.14 -1.10 0.00 0.00 0.00 175.10 174.29 1ji6 s GLN 583 N 0.41 0.85 0.31 2.72 -0.21 -0.53 -0.33 119.66 122.87 1ji6 s GLN 583 Ca -0.13 -1.01 0.03 0.00 0.02 0.00 0.00 55.36 54.28 1ji6 s GLN 583 Cb -0.15 -0.81 -0.06 0.00 1.00 0.00 0.00 33.01 32.99 1ji6 s GLN 583 CO 0.05 0.17 0.07 0.54 -2.12 0.00 0.00 175.29 174.01 1ji6 s ASN 584 N -1.89 2.05 0.00 5.90 4.22 -1.13 -1.29 114.94 122.81 1ji6 s ASN 584 Ca -0.00 -1.40 0.18 0.00 -2.14 0.00 0.00 52.86 49.50 1ji6 s ASN 584 Cb -0.09 0.03 1.08 0.00 1.28 0.00 0.00 41.25 43.55 1ji6 s ASN 584 CO 0.02 -0.67 1.59 -1.54 -2.04 0.00 0.00 177.10 174.46 1ji6 n SER 585 N -0.67 0.00 -0.96 3.54 3.41 -0.70 -2.14 113.62 116.11 1ji6 n SER 585 Ca -0.02 -1.13 0.09 0.00 -0.26 0.00 0.00 58.87 57.56 1ji6 n SER 585 Cb 0.66 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.87 1ji6 n SER 585 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ji6 n ASN 586 N -0.83 2.80 -1.19 4.04 4.05 -1.26 -4.93 115.26 117.94 1ji6 n ASN 586 Ca 0.14 -1.96 -0.14 0.00 0.45 0.00 0.00 54.58 53.07 1ji6 n ASN 586 Cb 0.06 -0.31 -0.05 0.00 1.23 0.00 0.00 39.78 40.71 1ji6 n ASN 586 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1ji6 n ASN 587 N 1.03 -4.62 -4.82 1.20 3.02 -0.91 -5.00 115.26 105.16 1ji6 n ASN 587 Ca 0.18 0.28 -0.34 0.00 -0.03 0.00 0.00 54.58 54.67 1ji6 n ASN 587 Cb 0.46 -3.45 -0.07 0.00 -0.61 0.00 0.00 39.78 36.11 1ji6 n ASN 587 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1ji6 s ASP 588 N -2.75 7.00 -0.08 6.41 1.01 -1.26 -4.94 116.67 122.05 1ji6 s ASP 588 Ca 0.00 1.59 -0.03 0.00 0.71 0.00 0.00 52.55 54.82 1ji6 s ASP 588 Cb 0.00 -2.49 0.04 0.00 1.01 0.00 0.00 42.92 41.48 1ji6 s ASP 588 CO 0.00 -0.22 0.10 0.12 0.21 0.00 0.00 175.17 175.39 1ji6 s PHE 589 N -1.94 -0.01 0.01 4.23 5.36 -1.26 -2.82 117.98 121.55 1ji6 s PHE 589 Ca 0.55 0.29 0.08 0.00 -0.96 0.00 0.00 56.93 56.89 1ji6 s PHE 589 Cb -0.12 -0.44 -0.02 0.00 -0.34 0.00 0.00 43.02 42.10 1ji6 s PHE 589 CO 0.17 -0.28 -0.25 -0.51 -1.46 0.00 0.00 175.22 172.88 1ji6 s LEU 590 N 2.21 2.16 -0.16 6.12 1.43 0.55 -4.97 118.68 126.02 1ji6 s LEU 590 Ca 0.04 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1ji6 s LEU 590 Cb -0.13 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 1ji6 s LEU 590 CO -0.05 0.29 -0.05 -0.69 0.23 0.00 0.00 176.35 176.08 1ji6 s VAL 591 N -0.72 3.71 -0.21 -1.59 1.01 -1.26 -1.08 120.40 120.26 1ji6 s VAL 591 Ca 0.11 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1ji6 s VAL 591 Cb -0.10 -2.63 0.04 0.00 0.00 0.00 0.00 36.38 33.69 1ji6 s VAL 591 CO 0.01 0.48 -0.15 -0.63 0.00 0.00 0.00 175.10 174.81 1ji6 s ILE 592 N 0.53 2.03 -0.33 2.22 1.01 0.12 -4.79 121.20 121.99 1ji6 s ILE 592 Ca -0.04 -1.19 -0.20 0.00 0.00 0.00 0.00 60.65 59.21 1ji6 s ILE 592 Cb -0.15 -1.98 -0.00 0.00 0.01 0.00 0.00 42.46 40.34 1ji6 s ILE 592 CO 0.03 0.28 0.64 -0.31 0.00 0.00 0.00 174.94 175.58 1ji6 s TYR 593 N 1.24 3.18 0.11 3.97 1.51 -1.26 0.14 117.35 126.24 1ji6 s TYR 593 Ca -0.01 0.49 0.01 0.00 -1.01 0.00 0.00 57.07 56.55 1ji6 s TYR 593 Cb -0.16 -3.07 -0.04 0.00 -0.11 0.00 0.00 41.96 38.58 1ji6 s TYR 593 CO -0.09 -0.55 0.26 0.96 -1.11 0.00 0.00 175.55 175.02 1ji6 s ILE 594 N 2.67 5.34 0.30 2.71 -4.36 0.12 -4.77 121.20 123.21 1ji6 s ILE 594 Ca 0.25 -0.49 0.10 0.00 -0.26 0.00 0.00 60.65 60.25 1ji6 s ILE 594 Cb -0.15 -3.68 -0.05 0.00 1.25 0.00 0.00 42.46 39.83 1ji6 s ILE 594 CO 0.13 0.02 -0.03 0.20 0.24 0.00 0.00 174.94 175.50 1ji6 s ASN 595 N -2.84 4.22 0.08 4.36 -0.87 -1.26 -1.34 114.94 117.29 1ji6 s ASN 595 Ca 0.35 -0.86 -0.31 0.00 -1.57 0.00 0.00 52.86 50.48 1ji6 s ASN 595 Cb -0.12 -0.61 -0.08 0.00 -0.02 0.00 0.00 41.25 40.42 1ji6 s ASN 595 CO 0.28 -0.10 1.55 -0.75 -2.57 0.00 0.00 177.10 175.51 1ji6 s LYS 596 N -3.67 4.24 -0.00 -0.60 2.20 -1.23 -4.55 119.74 116.12 1ji6 s LYS 596 Ca 0.33 2.23 0.06 0.00 -0.36 0.00 0.00 55.97 58.22 1ji6 s LYS 596 Cb -0.04 -3.46 -0.08 0.00 -1.51 0.00 0.00 37.83 32.75 1ji6 s LYS 596 CO 0.19 -0.63 0.20 0.25 -0.36 0.00 0.00 175.35 174.99 1ji6 n THR 597 N 4.45 0.00 -3.80 3.43 -2.24 0.47 -4.96 114.28 111.63 1ji6 n THR 597 Ca 0.14 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 1ji6 n THR 597 Cb 0.41 0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 69.30 1ji6 n THR 597 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ji6 s MET 598 N -1.96 1.35 0.33 -0.78 0.00 -1.13 -4.71 119.30 112.40 1ji6 s MET 598 Ca 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 55.69 54.76 1ji6 s MET 598 Cb 0.04 0.49 -0.03 0.00 0.00 0.00 0.00 34.83 35.34 1ji6 s MET 598 CO 0.25 -0.56 0.51 -0.80 0.00 0.00 0.00 175.02 174.42 1ji6 s ASN 599 N -2.90 6.22 0.28 -1.18 -0.87 -1.26 -4.24 114.94 110.99 1ji6 s ASN 599 Ca 0.11 0.28 0.02 0.00 -1.57 0.00 0.00 52.86 51.70 1ji6 s ASN 599 Cb -0.00 -1.87 0.59 0.00 -0.02 0.00 0.00 41.25 39.96 1ji6 s ASN 599 CO -0.01 -0.30 1.80 0.11 -2.57 0.00 0.00 177.10 176.13 1ji6 h LYS 600 N 0.83 0.82 0.00 -0.60 1.57 -1.94 -1.07 116.57 116.18 1ji6 h LYS 600 Ca -0.50 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1ji6 h LYS 600 Cb 1.23 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1ji6 h LYS 600 CO 0.60 0.54 0.00 -0.40 -0.57 0.00 0.00 179.45 179.62 1ji6 n ASP 601 N -4.72 0.00 -4.92 0.86 3.85 -1.26 -4.87 116.55 105.50 1ji6 n ASP 601 Ca 0.20 -1.93 -0.26 0.00 -0.71 0.00 0.00 54.79 52.08 1ji6 n ASP 601 Cb 0.43 0.00 0.01 0.00 -1.35 0.00 0.00 41.12 40.21 1ji6 n ASP 601 CO 0.00 0.00 0.00 -1.81 -1.01 0.00 0.00 177.20 174.38 1ji6 s ASP 602 N -1.06 5.98 0.17 -1.12 -0.00 -0.41 -5.10 116.67 115.14 1ji6 s ASP 602 Ca 0.03 0.73 0.04 0.00 -0.00 0.00 0.00 52.55 53.35 1ji6 s ASP 602 Cb 0.01 -1.95 -0.04 0.00 -0.00 0.00 0.00 42.92 40.95 1ji6 s ASP 602 CO 0.02 -0.73 0.21 -1.81 -0.00 0.00 0.00 175.17 172.86 1ji6 s ASP 603 N -4.18 5.87 -1.15 0.27 1.11 -1.26 -4.96 116.67 112.36 1ji6 s ASP 603 Ca 0.49 -0.02 -0.22 0.00 0.18 0.00 0.00 52.55 52.98 1ji6 s ASP 603 Cb -0.10 -1.63 -0.02 0.00 1.07 0.00 0.00 42.92 42.23 1ji6 s ASP 603 CO 0.43 0.04 1.83 -0.76 1.18 0.00 0.00 175.17 177.90 1ji6 s LEU 604 N -3.28 3.33 0.52 1.23 1.43 -1.26 -4.85 118.68 115.81 1ji6 s LEU 604 Ca 0.33 -1.69 0.09 0.00 -1.03 0.00 0.00 54.13 51.82 1ji6 s LEU 604 Cb -0.10 -2.58 0.06 0.00 0.03 0.00 0.00 46.19 43.60 1ji6 s LEU 604 CO 0.26 -2.34 0.69 0.42 0.23 0.00 0.00 176.35 175.61 1ji6 s THR 605 N 8.36 2.39 0.17 5.49 -4.23 -1.26 -4.91 115.64 121.66 1ji6 s THR 605 Ca 0.62 -1.04 -0.19 0.00 -1.18 0.00 0.00 61.69 59.90 1ji6 s THR 605 Cb -0.00 -2.43 0.10 0.00 1.34 0.00 0.00 72.50 71.50 1ji6 s THR 605 CO 0.07 0.00 1.63 0.22 -0.54 0.00 0.00 174.62 176.00 1ji6 h TYR 606 N 0.38 -0.56 0.00 3.99 3.20 -1.92 -1.16 116.97 120.90 1ji6 h TYR 606 Ca -0.34 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.58 1ji6 h TYR 606 Cb 1.29 0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.87 1ji6 h TYR 606 CO 0.46 -0.30 0.00 0.00 -1.64 0.00 0.00 178.16 176.68 1ji6 n GLN 607 N -5.39 0.10 0.09 1.82 10.64 -1.26 -2.31 117.38 121.07 1ji6 n GLN 607 Ca 0.02 0.55 0.12 0.00 -1.83 0.00 0.00 57.00 55.86 1ji6 n GLN 607 Cb 0.30 -1.79 0.45 0.00 -0.86 0.00 0.00 30.24 28.35 1ji6 n GLN 607 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1ji6 n THR 608 N -1.99 0.61 -3.82 -0.39 -2.24 -0.44 -4.80 114.28 101.21 1ji6 n THR 608 Ca -0.00 -0.07 -0.30 0.00 -2.27 0.00 0.00 64.05 61.41 1ji6 n THR 608 Cb 0.06 -0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 67.49 1ji6 n THR 608 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1ji6 s PHE 609 N -3.14 3.50 0.36 4.78 0.40 -0.98 -4.32 117.98 118.58 1ji6 s PHE 609 Ca 0.09 0.32 -0.05 0.00 -0.60 0.00 0.00 56.93 56.68 1ji6 s PHE 609 Cb 0.12 -1.82 0.02 0.00 0.51 0.00 0.00 43.02 41.85 1ji6 s PHE 609 CO 0.51 0.50 0.57 0.34 0.70 0.00 0.00 175.22 177.84 1ji6 s ASP 610 N -2.74 0.75 -0.17 1.36 3.68 0.14 -4.97 116.67 114.71 1ji6 s ASP 610 Ca 0.37 -1.43 0.01 0.00 2.13 0.00 0.00 52.55 53.63 1ji6 s ASP 610 Cb -0.12 0.73 0.03 0.00 -1.45 0.00 0.00 42.92 42.10 1ji6 s ASP 610 CO 0.27 -1.42 -0.16 -0.76 0.13 0.00 0.00 175.17 173.23 1ji6 s LEU 611 N -3.21 2.05 -0.09 -1.34 1.43 -1.26 -1.81 118.68 114.45 1ji6 s LEU 611 Ca 0.27 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1ji6 s LEU 611 Cb -0.02 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 1ji6 s LEU 611 CO 0.19 -0.05 -0.02 0.00 0.23 0.00 0.00 176.35 176.69 1ji6 s ALA 612 N 1.37 3.17 0.29 4.21 0.00 -0.69 -4.89 121.76 125.22 1ji6 s ALA 612 Ca 0.03 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.19 1ji6 s ALA 612 Cb -0.14 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 1ji6 s ALA 612 CO -0.11 0.52 0.27 -0.08 0.00 0.00 0.00 175.76 176.36 1ji6 s THR 613 N -0.66 0.00 0.15 0.00 -1.32 -1.26 0.30 115.64 112.85 1ji6 s THR 613 Ca 0.10 -1.93 0.05 0.00 -1.21 0.00 0.00 61.69 58.70 1ji6 s THR 613 Cb -0.12 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.32 1ji6 s THR 613 CO 0.02 0.00 -0.11 0.28 -2.21 0.00 0.00 174.62 172.60 1ji6 s THR 614 N -3.62 1.27 -2.42 5.08 -1.32 -1.22 -4.64 115.64 108.76 1ji6 s THR 614 Ca 0.38 -2.04 0.22 0.00 -1.21 0.00 0.00 61.69 59.04 1ji6 s THR 614 Cb 0.03 -1.84 0.43 0.00 -1.51 0.00 0.00 72.50 69.61 1ji6 s THR 614 CO 0.22 -0.69 1.47 -0.46 -2.21 0.00 0.00 174.62 172.95 1ji6 n ASN 615 N -0.14 2.56 -4.78 8.08 0.23 -1.26 -4.71 115.26 115.24 1ji6 n ASN 615 Ca -0.10 -1.86 -0.33 0.00 -0.53 0.00 0.00 54.58 51.76 1ji6 n ASN 615 Cb 0.60 -0.16 -0.07 0.00 -2.08 0.00 0.00 39.78 38.07 1ji6 n ASN 615 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1ji6 s SER 616 N -1.56 5.66 0.43 0.53 0.01 -1.26 -5.11 113.70 112.40 1ji6 s SER 616 Ca 0.35 0.15 0.07 0.00 1.31 0.00 0.00 55.95 57.83 1ji6 s SER 616 Cb 0.20 -1.63 -0.04 0.00 0.21 0.00 0.00 66.02 64.76 1ji6 s SER 616 CO 0.29 0.28 0.20 0.54 0.41 0.00 0.00 173.24 174.96 1ji6 s ASN 617 N -1.70 4.46 0.14 2.44 4.22 -1.26 -4.60 114.94 118.64 1ji6 s ASN 617 Ca 0.22 -1.10 0.05 0.00 -2.14 0.00 0.00 52.86 49.90 1ji6 s ASN 617 Cb -0.12 -0.36 -0.04 0.00 1.28 0.00 0.00 41.25 42.00 1ji6 s ASN 617 CO 0.13 -0.61 -0.13 0.00 -2.04 0.00 0.00 177.10 174.46 1ji6 s MET 618 N -3.95 1.06 0.27 3.55 0.23 0.50 -4.90 119.30 116.07 1ji6 s MET 618 Ca 0.39 -1.34 0.03 0.00 -1.03 0.00 0.00 55.69 53.73 1ji6 s MET 618 Cb 0.03 -0.81 -0.05 0.00 -1.53 0.00 0.00 34.83 32.46 1ji6 s MET 618 CO 0.22 0.14 0.05 0.20 -2.03 0.00 0.00 175.02 173.60 1ji6 s GLY 619 N -2.79 1.77 0.29 3.16 0.00 -1.26 0.66 107.32 109.15 1ji6 s GLY 619 Ca 0.13 -1.89 0.06 0.00 0.00 0.00 0.00 44.72 43.02 1ji6 s GLY 619 CO 0.02 -1.68 -0.04 -1.36 0.00 0.00 0.00 173.10 170.05 1ji6 s PHE 620 N -3.52 1.95 -0.02 1.90 0.40 -1.26 -4.76 117.98 112.67 1ji6 s PHE 620 Ca 0.34 -0.75 -0.02 0.00 -0.60 0.00 0.00 56.93 55.90 1ji6 s PHE 620 Cb 0.07 -1.15 0.00 0.00 0.51 0.00 0.00 43.02 42.46 1ji6 s PHE 620 CO 0.12 0.23 0.06 -1.12 0.70 0.00 0.00 175.22 175.21 1ji6 s SER 621 N -3.45 -0.05 0.76 1.36 0.01 -1.26 -4.89 113.70 106.18 1ji6 s SER 621 Ca 0.31 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.66 1ji6 s SER 621 Cb 0.05 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1ji6 s SER 621 CO 0.12 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.34 1ji6 n GLY 622 N 2.95 0.89 0.78 3.44 0.00 -1.26 -4.29 105.19 107.69 1ji6 n GLY 622 Ca -0.13 -0.77 0.11 0.00 0.00 0.00 0.00 46.02 45.23 1ji6 n GLY 622 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ji6 n ASP 623 N -3.24 2.62 -3.54 1.61 5.75 -1.26 -4.68 116.55 113.81 1ji6 n ASP 623 Ca 0.00 -1.81 -0.32 0.00 -0.01 0.00 0.00 54.79 52.65 1ji6 n ASP 623 Cb 0.00 0.16 -0.04 0.00 -1.03 0.00 0.00 41.12 40.21 1ji6 n ASP 623 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1ji6 n LYS 624 N 0.86 3.37 -3.44 0.11 2.85 -1.26 -5.00 118.16 115.65 1ji6 n LYS 624 Ca 0.12 -4.67 -0.38 0.00 -1.05 0.00 0.00 58.31 52.33 1ji6 n LYS 624 Cb 0.54 -2.34 -0.08 0.00 -0.65 0.00 0.00 35.03 32.50 1ji6 n LYS 624 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1ji6 s ASN 625 N -2.35 6.39 0.12 -5.58 0.01 -1.26 -4.88 114.94 107.39 1ji6 s ASN 625 Ca 0.38 0.46 0.07 0.00 -0.71 0.00 0.00 52.86 53.06 1ji6 s ASN 625 Cb 0.14 -2.21 -0.04 0.00 0.41 0.00 0.00 41.25 39.55 1ji6 s ASN 625 CO 0.00 -0.04 -0.16 -1.61 -1.51 0.00 0.00 177.10 173.78 1ji6 s GLU 626 N 1.19 1.06 -0.02 -0.60 0.41 -1.26 -1.98 118.70 117.50 1ji6 s GLU 626 Ca 0.17 -1.21 0.01 0.00 -0.41 0.00 0.00 54.97 53.53 1ji6 s GLU 626 Cb -0.14 -1.08 0.01 0.00 -1.78 0.00 0.00 34.13 31.14 1ji6 s GLU 626 CO 0.07 0.22 -0.04 -1.17 -0.49 0.00 0.00 175.26 173.86 1ji6 s LEU 627 N -2.28 1.68 0.02 1.80 2.96 0.40 -1.72 118.68 121.55 1ji6 s LEU 627 Ca 0.08 -0.09 0.06 0.00 -0.22 0.00 0.00 54.13 53.97 1ji6 s LEU 627 Cb -0.07 -0.30 -0.02 0.00 0.50 0.00 0.00 46.19 46.30 1ji6 s LEU 627 CO 0.04 0.00 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.25 1ji6 s ILE 628 N 0.35 1.50 -0.10 6.68 -1.09 -0.41 0.07 121.20 128.20 1ji6 s ILE 628 Ca -0.04 -1.02 0.02 0.00 -2.23 0.00 0.00 60.65 57.38 1ji6 s ILE 628 Cb -0.07 -1.29 -0.02 0.00 -1.58 0.00 0.00 42.46 39.50 1ji6 s ILE 628 CO -0.00 0.24 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.17 1ji6 s ILE 629 N -0.68 2.92 0.40 2.92 -1.09 -0.48 -1.46 121.20 123.74 1ji6 s ILE 629 Ca 0.06 -0.73 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 1ji6 s ILE 629 Cb -0.08 -2.19 -0.03 0.00 -1.58 0.00 0.00 42.46 38.58 1ji6 s ILE 629 CO 0.01 0.55 0.10 -0.83 -1.23 0.00 0.00 174.94 173.54 1ji6 s GLY 630 N 0.01 2.56 0.21 6.18 0.00 0.07 -1.16 107.32 115.18 1ji6 s GLY 630 Ca -0.05 -1.30 -0.16 0.00 0.00 0.00 0.00 44.72 43.21 1ji6 s GLY 630 CO 0.04 -1.87 0.51 0.00 0.00 0.00 0.00 173.10 171.78 1ji6 s ALA 631 N -3.19 -0.73 0.29 3.20 0.00 0.57 -1.35 121.76 120.55 1ji6 s ALA 631 Ca 0.24 -0.42 0.06 0.00 0.00 0.00 0.00 51.96 51.84 1ji6 s ALA 631 Cb 0.04 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 1ji6 s ALA 631 CO 0.13 -0.82 0.37 -1.83 0.00 0.00 0.00 175.76 173.61 1ji6 s GLU 632 N -3.91 3.15 0.53 0.00 -1.05 -1.15 -4.00 118.70 112.26 1ji6 s GLU 632 Ca 0.13 -0.97 -0.21 0.00 -0.15 0.00 0.00 54.97 53.76 1ji6 s GLU 632 Cb -0.01 -2.76 -0.05 0.00 -0.44 0.00 0.00 34.13 30.87 1ji6 s GLU 632 CO 0.01 0.24 1.27 -1.12 0.95 0.00 0.00 175.26 176.61 1ji6 s SER 633 N -4.03 5.50 0.07 0.83 0.01 -1.26 -4.78 113.70 110.03 1ji6 s SER 633 Ca 0.39 2.56 -0.03 0.00 1.31 0.00 0.00 55.95 60.17 1ji6 s SER 633 Cb -0.09 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 1ji6 s SER 633 CO 0.29 -1.39 0.04 0.72 0.41 0.00 0.00 173.24 173.31 1ji6 s PHE 634 N -1.43 0.42 0.38 2.43 -0.12 -1.26 -5.02 117.98 113.39 1ji6 s PHE 634 Ca 0.71 -0.92 -0.24 0.00 -0.05 0.00 0.00 56.93 56.42 1ji6 s PHE 634 Cb -0.35 -0.29 -0.09 0.00 -0.63 0.00 0.00 43.02 41.66 1ji6 s PHE 634 CO 0.41 -0.44 1.01 0.14 -0.05 0.00 0.00 175.22 176.29 1ji6 s VAL 635 N -3.91 3.96 0.66 -2.49 -7.23 -1.26 -4.93 120.40 105.20 1ji6 s VAL 635 Ca 0.07 1.48 -0.17 0.00 -1.81 0.00 0.00 61.98 61.55 1ji6 s VAL 635 Cb 0.07 -3.75 -0.00 0.00 0.56 0.00 0.00 36.38 33.25 1ji6 s VAL 635 CO -0.10 -0.01 1.27 -0.94 -0.31 0.00 0.00 175.10 175.01 1ji6 s SER 636 N -1.68 4.56 0.00 4.85 1.04 -1.26 -3.09 113.70 118.11 1ji6 s SER 636 Ca 0.57 2.54 0.00 0.00 0.48 0.00 0.00 55.95 59.54 1ji6 s SER 636 Cb -0.19 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.32 1ji6 s SER 636 CO 0.24 -2.03 0.00 -3.20 0.98 0.00 0.00 173.24 169.23 1ji6 n ASN 637 N -2.06 0.00 -4.78 7.02 5.15 -1.26 -5.05 115.26 114.27 1ji6 n ASN 637 Ca 0.15 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.75 1ji6 n ASN 637 Cb 0.49 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.68 1ji6 n ASN 637 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1ji6 s GLU 638 N -0.86 4.12 -0.17 1.20 0.41 -1.18 -5.00 118.70 117.23 1ji6 s GLU 638 Ca 0.00 0.44 -0.08 0.00 -0.41 0.00 0.00 54.97 54.92 1ji6 s GLU 638 Cb 0.00 -3.31 -0.04 0.00 -1.78 0.00 0.00 34.13 28.99 1ji6 s GLU 638 CO 0.00 0.46 0.09 0.15 -0.49 0.00 0.00 175.26 175.48 1ji6 s LYS 639 N -0.37 3.91 -0.08 1.61 1.02 -1.26 -4.96 119.74 119.62 1ji6 s LYS 639 Ca 0.25 -0.27 -0.00 0.00 0.02 0.00 0.00 55.97 55.96 1ji6 s LYS 639 Cb -0.16 -3.26 0.02 0.00 -0.52 0.00 0.00 37.83 33.91 1ji6 s LYS 639 CO 0.12 0.39 -0.05 0.42 -0.92 0.00 0.00 175.35 175.31 1ji6 s ILE 640 N 0.08 0.72 -0.10 2.17 1.09 -1.26 -1.16 121.20 122.74 1ji6 s ILE 640 Ca 0.07 -0.13 0.04 0.00 -1.10 0.00 0.00 60.65 59.53 1ji6 s ILE 640 Cb -0.12 -0.78 -0.00 0.00 -1.06 0.00 0.00 42.46 40.50 1ji6 s ILE 640 CO 0.00 0.30 -0.23 -0.31 -0.10 0.00 0.00 174.94 174.60 1ji6 s TYR 641 N 1.57 2.57 -0.03 3.97 1.51 0.61 -1.45 117.35 126.11 1ji6 s TYR 641 Ca 0.00 -0.99 0.06 0.00 -1.01 0.00 0.00 57.07 55.14 1ji6 s TYR 641 Cb -0.13 -1.71 -0.02 0.00 -0.11 0.00 0.00 41.96 39.98 1ji6 s TYR 641 CO -0.05 -0.39 -0.22 0.42 -1.11 0.00 0.00 175.55 174.21 1ji6 s ILE 642 N 0.31 2.41 0.05 2.71 1.01 -0.45 -1.12 121.20 126.12 1ji6 s ILE 642 Ca -0.17 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.48 1ji6 s ILE 642 Cb -0.18 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 1ji6 s ILE 642 CO 0.08 0.58 -0.03 -0.67 0.00 0.00 0.00 174.94 174.90 1ji6 n ASP 643 N 2.38 0.94 -4.14 3.58 2.03 -0.44 -1.73 116.55 119.17 1ji6 n ASP 643 Ca -0.16 0.13 -0.18 0.00 0.52 0.00 0.00 54.79 55.09 1ji6 n ASP 643 Cb 0.51 -0.32 -0.12 0.00 -0.72 0.00 0.00 41.12 40.48 1ji6 n ASP 643 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1ji6 s LYS 644 N -1.86 0.80 -0.20 -0.67 -0.14 -1.17 -1.23 119.74 115.27 1ji6 s LYS 644 Ca -0.03 -0.85 -0.05 0.00 -1.36 0.00 0.00 55.97 53.68 1ji6 s LYS 644 Cb 0.00 -0.78 -0.03 0.00 -1.68 0.00 0.00 37.83 35.35 1ji6 s LYS 644 CO 0.04 0.18 0.01 0.42 -0.76 0.00 0.00 175.35 175.24 1ji6 s ILE 645 N -1.14 4.00 -0.09 2.17 -1.09 -0.21 -1.22 121.20 123.63 1ji6 s ILE 645 Ca -0.02 -0.29 0.01 0.00 -2.23 0.00 0.00 60.65 58.11 1ji6 s ILE 645 Cb -0.09 -2.81 -0.03 0.00 -1.58 0.00 0.00 42.46 37.95 1ji6 s ILE 645 CO 0.02 0.42 -0.09 -1.61 -1.23 0.00 0.00 174.94 172.45 1ji6 s GLU 646 N 1.02 2.92 -0.20 2.79 2.02 0.11 0.18 118.70 127.53 1ji6 s GLU 646 Ca 0.02 -0.60 -0.04 0.00 0.02 0.00 0.00 54.97 54.37 1ji6 s GLU 646 Cb -0.14 -2.59 -0.01 0.00 0.10 0.00 0.00 34.13 31.48 1ji6 s GLU 646 CO 0.02 0.53 -0.04 -0.06 0.02 0.00 0.00 175.26 175.72 1ji6 s PHE 647 N -0.45 2.96 -0.19 1.61 0.40 0.68 -1.39 117.98 121.61 1ji6 s PHE 647 Ca 0.06 -0.77 -0.03 0.00 -0.60 0.00 0.00 56.93 55.59 1ji6 s PHE 647 Cb -0.12 -2.07 -0.01 0.00 0.51 0.00 0.00 43.02 41.33 1ji6 s PHE 647 CO 0.02 -0.43 -0.06 0.42 0.70 0.00 0.00 175.22 175.87 1ji6 s ILE 648 N 1.22 3.39 -0.50 0.64 1.01 -0.11 -1.04 121.20 125.81 1ji6 s ILE 648 Ca 0.03 -0.51 -0.28 0.00 0.00 0.00 0.00 60.65 59.89 1ji6 s ILE 648 Cb -0.14 -2.50 -0.00 0.00 0.01 0.00 0.00 42.46 39.82 1ji6 s ILE 648 CO -0.01 0.46 1.58 -2.84 0.00 0.00 0.00 174.94 174.13 1ji6 s PRO 649 N 0.99 3.21 -0.52 2.79 0.02 -1.26 -0.39 135.00 139.83 1ji6 s PRO 649 Ca -0.00 0.75 -0.27 0.00 0.02 0.00 0.00 61.00 61.49 1ji6 s PRO 649 Cb -0.15 -4.18 -0.02 0.00 0.02 0.00 0.00 34.50 30.17 1ji6 s PRO 649 CO 0.00 -2.03 1.87 0.08 -0.33 0.00 0.00 177.00 176.59 1ji6 s VAL 650 N 6.74 3.38 -1.11 3.83 1.01 0.04 -4.90 120.40 129.39 1ji6 s VAL 650 Ca 0.62 0.28 -0.05 0.00 0.00 0.00 0.00 61.98 62.83 1ji6 s VAL 650 Cb -0.14 -3.80 0.29 0.00 0.00 0.00 0.00 36.38 32.73 1ji6 s VAL 650 CO 0.27 -0.71 1.47 0.00 0.00 0.00 0.00 175.10 176.13 1ji6 n GLN 651 N 8.94 4.26 0.00 2.72 6.02 -1.26 -4.47 117.38 133.59 1ji6 n GLN 651 Ca 0.22 -4.44 0.02 0.00 -0.01 0.00 0.00 57.00 52.79 1ji6 n GLN 651 Cb 0.51 -2.56 0.12 0.00 1.02 0.00 0.00 30.24 29.32 1ji6 n GLN 651 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33