#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjq s VAL 35 N 0.00 2.02 0.74 1.59 1.01 -1.26 -4.96 120.40 119.55 1xjq s VAL 35 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 1xjq s VAL 35 Cb 0.00 -3.01 0.04 0.00 0.00 0.00 0.00 36.38 33.40 1xjq s VAL 35 CO 0.00 0.00 1.08 -0.94 0.00 0.00 0.00 175.10 175.24 1xjq s SER 36 N -0.40 4.94 0.15 3.32 1.04 -1.26 -4.85 113.70 116.65 1xjq s SER 36 Ca 0.59 1.55 -0.26 0.00 0.48 0.00 0.00 55.95 58.31 1xjq s SER 36 Cb -0.45 -2.35 0.01 0.00 0.10 0.00 0.00 66.02 63.32 1xjq s SER 36 CO 0.59 -1.71 1.59 0.03 0.98 0.00 0.00 173.24 174.71 1xjq h ARG 37 N -0.91 -0.33 -0.79 4.02 3.08 -1.93 0.55 114.38 118.07 1xjq h ARG 37 Ca -0.45 0.02 0.18 0.00 0.07 0.00 0.00 59.98 59.80 1xjq h ARG 37 Cb 1.23 0.08 -0.11 0.00 0.08 0.00 0.00 29.97 31.24 1xjq h ARG 37 CO 0.57 -0.22 0.25 -0.97 -1.07 0.00 0.00 179.97 178.52 1xjq h ASN 38 N -0.35 0.11 -0.09 7.04 -0.73 -1.97 1.00 115.58 120.59 1xjq h ASN 38 Ca 0.13 0.15 -0.24 0.00 1.87 0.00 0.00 56.30 58.21 1xjq h ASN 38 Cb 0.57 0.18 0.01 0.00 0.27 0.00 0.00 38.32 39.35 1xjq h ASN 38 CO -0.49 -0.02 -0.86 0.11 -0.37 0.00 0.00 177.43 175.80 1xjq h LYS 39 N 0.32 0.75 -0.22 6.67 1.57 -1.84 -2.17 116.57 121.64 1xjq h LYS 39 Ca 0.46 -0.68 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1xjq h LYS 39 Cb 0.82 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1xjq h LYS 39 CO -0.52 1.28 -0.02 0.00 -0.57 0.00 0.00 179.45 179.62 1xjq h ARG 40 N 0.46 0.33 -0.27 3.15 3.08 -0.21 -1.93 114.38 118.99 1xjq h ARG 40 Ca -0.08 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 1xjq h ARG 40 Cb 1.51 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.48 1xjq h ARG 40 CO 0.17 0.38 -0.09 0.78 -1.07 0.00 0.00 179.97 180.14 1xjq h GLY 41 N 0.66 0.48 2.00 0.04 0.00 0.12 -1.30 103.07 105.07 1xjq h GLY 41 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1xjq h GLY 41 CO 0.01 0.28 0.00 1.46 0.00 0.00 0.00 176.54 178.29 1xjq h GLN 42 N 0.42 0.00 -0.01 4.80 7.50 -0.69 -3.28 115.11 123.85 1xjq h GLN 42 Ca 0.08 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.23 1xjq h GLN 42 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.95 1xjq h GLN 42 CO 0.02 0.00 -0.11 1.33 -1.50 0.00 0.00 178.83 178.58 1xjq n VAL 43 N -2.61 0.00 -0.03 -0.54 0.24 -0.55 -4.71 118.33 110.13 1xjq n VAL 43 Ca 0.03 -0.45 -0.14 0.00 -2.04 0.00 0.00 64.34 61.74 1xjq n VAL 43 Cb 0.34 1.09 -0.10 0.00 -1.47 0.00 0.00 33.84 33.69 1xjq n VAL 43 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1xjq h VAL 44 N 0.82 1.47 -1.15 3.34 2.07 -1.51 -3.46 116.25 117.83 1xjq h VAL 44 Ca 0.00 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.99 1xjq h VAL 44 Cb 0.23 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1xjq h VAL 44 CO 0.00 0.41 0.00 0.61 0.02 0.00 0.00 177.57 178.61 1xjq n GLY 45 N 0.60 5.40 0.11 2.17 0.00 -1.26 -4.85 105.19 107.36 1xjq n GLY 45 Ca -0.09 -1.78 0.02 0.00 0.00 0.00 0.00 46.02 44.18 1xjq n GLY 45 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xjq n THR 46 N 0.00 0.00 0.15 2.61 5.66 -1.25 -4.52 114.28 116.92 1xjq n THR 46 Ca 0.00 -0.45 0.11 0.00 -3.05 0.00 0.00 64.05 60.66 1xjq n THR 46 Cb 0.00 1.06 -0.16 0.00 -1.55 0.00 0.00 70.33 69.68 1xjq n THR 46 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1xjq n ARG 47 N -0.36 0.55 -0.53 1.09 5.12 -1.26 -5.11 116.66 116.16 1xjq n ARG 47 Ca 0.02 -0.16 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 1xjq n ARG 47 Cb 0.10 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 29.87 1xjq n ARG 47 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xjq n GLY 48 N 1.30 -3.50 0.00 -0.13 0.00 -1.26 -5.09 105.19 96.51 1xjq n GLY 48 Ca -0.03 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1xjq n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xjq n GLY 49 N -1.07 1.27 3.71 -0.02 0.00 -1.24 -5.01 105.19 102.82 1xjq n GLY 49 Ca 0.00 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 1xjq n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xjq s PHE 50 N -0.96 3.59 -0.10 1.61 2.19 -1.26 -4.64 117.98 118.40 1xjq s PHE 50 Ca 0.00 1.61 0.25 0.00 0.33 0.00 0.00 56.93 59.11 1xjq s PHE 50 Cb 0.00 -3.18 0.46 0.00 -1.31 0.00 0.00 43.02 38.98 1xjq s PHE 50 CO 0.00 -0.27 1.15 2.89 1.83 0.00 0.00 175.22 180.82 1xjq n ARG 51 N 4.15 0.66 -1.90 10.12 1.85 -1.26 -4.98 116.66 125.30 1xjq n ARG 51 Ca 0.07 -2.55 -0.42 0.00 -1.00 0.00 0.00 57.85 53.95 1xjq n ARG 51 Cb 0.50 -0.60 -0.02 0.00 -1.05 0.00 0.00 32.46 31.29 1xjq n ARG 51 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1xjq s GLY 52 N -2.66 2.03 0.17 2.89 0.00 -1.25 -4.41 107.32 104.08 1xjq s GLY 52 Ca 0.31 1.44 -0.24 0.00 0.00 0.00 0.00 44.72 46.23 1xjq s GLY 52 CO -0.12 2.48 1.01 0.00 0.00 0.00 0.00 173.10 176.47 1xjq s THR 54 N -2.65 1.43 -0.40 0.00 2.01 -0.99 0.01 115.64 115.06 1xjq s THR 54 Ca 0.17 -0.62 -0.12 0.00 0.31 0.00 0.00 61.69 61.43 1xjq s THR 54 Cb -0.02 -1.30 0.04 0.00 0.01 0.00 0.00 72.50 71.23 1xjq s THR 54 CO 0.04 0.42 0.26 -0.69 -0.69 0.00 0.00 174.62 173.96 1xjq s VAL 55 N 0.84 4.75 -0.55 3.82 1.01 0.12 -0.82 120.40 129.57 1xjq s VAL 55 Ca -0.10 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 60.85 1xjq s VAL 55 Cb -0.15 -3.71 0.14 0.00 0.00 0.00 0.00 36.38 32.66 1xjq s VAL 55 CO 0.01 -0.33 0.45 0.86 0.00 0.00 0.00 175.10 176.09 1xjq s TRP 56 N 1.57 3.43 0.29 5.22 -0.11 -0.30 -0.88 118.94 128.16 1xjq s TRP 56 Ca 0.03 -1.83 -0.28 0.00 1.22 0.00 0.00 56.10 55.24 1xjq s TRP 56 Cb -0.20 -3.59 -0.09 0.00 -1.50 0.00 0.00 33.47 28.08 1xjq s TRP 56 CO 0.07 -0.99 1.01 -0.51 -4.62 0.00 0.00 176.95 171.91 1xjq s LEU 57 N 1.12 4.51 0.02 5.86 1.43 -0.06 -0.86 118.68 130.70 1xjq s LEU 57 Ca 0.08 2.06 -0.04 0.00 -1.03 0.00 0.00 54.13 55.19 1xjq s LEU 57 Cb -0.24 -3.75 -0.01 0.00 0.03 0.00 0.00 46.19 42.22 1xjq s LEU 57 CO -0.01 -0.06 0.07 0.28 0.23 0.00 0.00 176.35 176.85 1xjq s THR 58 N -1.30 0.11 0.00 5.49 -1.32 -0.67 -3.91 115.64 114.05 1xjq s THR 58 Ca 0.46 -0.90 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 1xjq s THR 58 Cb -0.27 -0.54 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 1xjq s THR 58 CO 0.33 -0.50 0.00 0.61 -2.21 0.00 0.00 174.62 172.86 1xjq n GLY 59 N 1.27 3.86 0.22 6.08 0.00 -0.70 -0.75 105.19 115.18 1xjq n GLY 59 Ca -0.22 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 1xjq n GLY 59 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xjq h LEU 60 N 0.00 0.77 -9.15 0.99 3.38 -1.84 -3.38 115.31 106.07 1xjq h LEU 60 Ca 0.00 -0.42 -0.56 0.00 0.09 0.00 0.00 57.88 56.99 1xjq h LEU 60 Cb 0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1xjq h LEU 60 CO 0.00 1.18 1.09 -0.55 0.09 0.00 0.00 178.44 180.25 1xjq s SER 61 N -6.95 6.56 0.03 -0.43 0.15 -1.26 -4.89 113.70 106.91 1xjq s SER 61 Ca -0.09 1.92 -0.25 0.00 0.70 0.00 0.00 55.95 58.24 1xjq s SER 61 Cb 0.11 -2.53 -0.18 0.00 -1.71 0.00 0.00 66.02 61.71 1xjq s SER 61 CO 0.86 -1.06 1.49 1.23 1.20 0.00 0.00 173.24 176.97 1xjq h GLY 62 N 10.85 -0.02 1.04 9.45 0.00 -2.00 -2.77 103.07 119.62 1xjq h GLY 62 Ca -0.35 0.01 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 1xjq h GLY 62 CO 0.98 -0.01 -0.08 0.00 0.00 0.00 0.00 176.54 177.42 1xjq h ALA 63 N 0.71 0.67 -0.32 3.60 0.00 -1.97 0.72 119.26 122.66 1xjq h ALA 63 Ca -0.00 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1xjq h ALA 63 Cb 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1xjq h ALA 63 CO 0.00 0.55 0.19 0.78 0.00 0.00 0.00 179.25 180.77 1xjq h GLY 64 N 0.77 0.44 1.21 0.00 0.00 -1.96 0.27 103.07 103.80 1xjq h GLY 64 Ca 0.13 -0.14 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 1xjq h GLY 64 CO 0.04 0.13 -0.48 0.50 0.00 0.00 0.00 176.54 176.73 1xjq h LYS 65 N 0.38 0.85 -0.12 4.80 1.57 -1.25 -2.37 116.57 120.43 1xjq h LYS 65 Ca 0.13 -0.50 -0.16 0.00 -1.87 0.00 0.00 60.65 58.25 1xjq h LYS 65 Cb 0.00 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1xjq h LYS 65 CO -0.06 1.13 -0.55 1.15 -0.57 0.00 0.00 179.45 180.56 1xjq h THR 66 N 0.67 1.35 -0.35 -0.16 2.02 -0.68 0.38 112.91 116.14 1xjq h THR 66 Ca 0.03 -1.84 -0.10 0.00 0.77 0.00 0.00 66.41 65.27 1xjq h THR 66 Cb 1.07 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 69.62 1xjq h THR 66 CO 0.11 0.56 -0.18 0.71 0.37 0.00 0.00 175.52 177.09 1xjq h THR 67 N 0.20 1.29 0.07 3.16 1.35 -0.48 -1.68 112.91 116.81 1xjq h THR 67 Ca -0.04 -1.30 -0.00 0.00 -0.55 0.00 0.00 66.41 64.52 1xjq h THR 67 Cb 1.19 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1xjq h THR 67 CO 0.11 0.43 -0.03 0.58 -0.25 0.00 0.00 175.52 176.36 1xjq h VAL 68 N 0.52 0.95 -0.70 6.82 2.07 -1.45 -1.04 116.25 123.42 1xjq h VAL 68 Ca 0.08 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 1xjq h VAL 68 Cb 0.72 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1xjq h VAL 68 CO 0.05 0.01 0.14 0.77 0.02 0.00 0.00 177.57 178.56 1xjq h SER 69 N -0.11 1.08 -0.19 0.57 4.64 -0.81 -0.28 113.55 118.46 1xjq h SER 69 Ca -0.01 -0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.04 1xjq h SER 69 Cb 0.09 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1xjq h SER 69 CO 0.02 1.06 0.04 0.24 -0.87 0.00 0.00 176.83 177.32 1xjq h MET 70 N 1.07 0.31 -0.04 4.77 2.86 -1.23 -0.44 114.93 122.23 1xjq h MET 70 Ca 0.21 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.66 1xjq h MET 70 Cb 0.42 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1xjq h MET 70 CO 0.01 0.44 -0.54 0.00 1.06 0.00 0.00 176.91 177.88 1xjq h ALA 71 N 0.85 1.04 -0.17 6.32 0.00 -1.03 -1.90 119.26 124.37 1xjq h ALA 71 Ca 0.06 -0.49 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 1xjq h ALA 71 Cb 0.28 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xjq h ALA 71 CO 0.00 0.68 -0.60 1.25 0.00 0.00 0.00 179.25 180.58 1xjq h LEU 72 N 0.08 0.82 -0.51 0.00 5.85 -0.81 -0.69 115.31 120.04 1xjq h LEU 72 Ca -0.00 -0.60 0.03 0.00 0.84 0.00 0.00 57.88 58.15 1xjq h LEU 72 Cb 0.98 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1xjq h LEU 72 CO 0.08 1.28 0.29 -0.08 -0.34 0.00 0.00 178.44 179.67 1xjq h GLU 73 N 0.40 0.55 -0.51 1.25 4.81 -1.02 0.26 114.58 120.33 1xjq h GLU 73 Ca -0.03 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1xjq h GLU 73 Cb 1.22 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1xjq h GLU 73 CO 0.13 0.37 -0.08 1.49 -0.73 0.00 0.00 179.01 180.18 1xjq h GLU 74 N 0.57 0.96 -0.11 1.92 4.81 -1.17 -1.26 114.58 120.30 1xjq h GLU 74 Ca 0.21 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1xjq h GLU 74 Cb 0.07 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1xjq h GLU 74 CO -0.12 1.01 0.07 -0.92 -0.73 0.00 0.00 179.01 178.33 1xjq h TYR 75 N 0.82 0.14 -0.43 0.92 5.03 -0.77 0.22 116.97 122.89 1xjq h TYR 75 Ca 0.14 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.45 1xjq h TYR 75 Cb 0.63 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.84 1xjq h TYR 75 CO 0.05 0.10 0.27 -0.07 -1.32 0.00 0.00 178.16 177.18 1xjq h LEU 76 N 0.14 0.51 -0.81 2.82 3.38 -0.74 -1.49 115.31 119.13 1xjq h LEU 76 Ca 0.04 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1xjq h LEU 76 Cb -0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1xjq h LEU 76 CO -0.01 0.40 -0.27 0.58 0.09 0.00 0.00 178.44 179.23 1xjq h VAL 77 N 0.58 1.28 0.00 1.22 2.07 -1.14 0.11 116.25 120.36 1xjq h VAL 77 Ca 0.16 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1xjq h VAL 77 Cb -0.03 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1xjq h VAL 77 CO -0.03 0.44 0.00 0.00 0.02 0.00 0.00 177.57 177.99 1xjq n HIS 79 N -2.95 0.25 -1.27 0.00 8.25 -0.63 -4.97 115.22 113.90 1xjq n HIS 79 Ca -0.01 -1.43 -0.09 0.00 -0.26 0.00 0.00 57.72 55.93 1xjq n HIS 79 Cb 0.18 -0.29 -0.04 0.00 1.12 0.00 0.00 29.99 30.96 1xjq n HIS 79 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xjq n GLY 80 N -1.15 1.08 3.23 -1.41 0.00 -1.06 -5.01 105.19 100.88 1xjq n GLY 80 Ca 0.21 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 1xjq n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xjq s ILE 81 N -2.31 3.82 0.22 -0.61 1.01 0.27 -3.97 121.20 119.63 1xjq s ILE 81 Ca 0.00 -1.47 -0.32 0.00 0.00 0.00 0.00 60.65 58.86 1xjq s ILE 81 Cb 0.00 -3.34 -0.14 0.00 0.01 0.00 0.00 42.46 38.99 1xjq s ILE 81 CO 0.00 -0.43 1.42 -2.65 0.00 0.00 0.00 174.94 173.28 1xjq n PRO 82 N 4.80 1.98 -4.03 2.79 -0.02 -1.26 -3.81 135.00 135.44 1xjq n PRO 82 Ca -0.09 0.71 -0.10 0.00 -2.02 0.00 0.00 63.50 61.99 1xjq n PRO 82 Cb 0.43 -2.37 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 1xjq n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xjq s TYR 84 N -4.03 -0.79 -0.17 0.00 5.04 -0.33 -4.90 117.35 112.17 1xjq s TYR 84 Ca 0.25 1.84 -0.06 0.00 -2.44 0.00 0.00 57.07 56.66 1xjq s TYR 84 Cb 0.03 0.33 -0.04 0.00 0.35 0.00 0.00 41.96 42.63 1xjq s TYR 84 CO 0.07 -0.39 0.02 0.99 -1.34 0.00 0.00 175.55 174.90 1xjq s THR 85 N 0.65 4.44 -0.24 4.34 2.01 -1.26 -0.85 115.64 124.74 1xjq s THR 85 Ca -0.02 -0.16 -0.10 0.00 0.31 0.00 0.00 61.69 61.71 1xjq s THR 85 Cb -0.05 -2.98 -0.05 0.00 0.01 0.00 0.00 72.50 69.44 1xjq s THR 85 CO -0.04 0.48 0.16 -0.76 -0.69 0.00 0.00 174.62 173.77 1xjq s LEU 86 N 0.30 4.11 0.00 4.42 1.43 0.24 -4.94 118.68 124.24 1xjq s LEU 86 Ca 0.01 0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1xjq s LEU 86 Cb -0.13 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 43.99 1xjq s LEU 86 CO 0.01 0.07 0.07 -0.90 0.23 0.00 0.00 176.35 175.84 1xjq n ASP 87 N 4.26 -0.21 -0.11 2.29 5.68 -1.26 -1.26 116.55 125.94 1xjq n ASP 87 Ca -0.15 -1.27 0.06 0.00 -0.50 0.00 0.00 54.79 52.92 1xjq n ASP 87 Cb 0.52 0.38 0.38 0.00 -1.14 0.00 0.00 41.12 41.27 1xjq n ASP 87 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1xjq h GLY 88 N 0.29 0.79 2.00 6.12 0.00 -1.98 -2.20 103.07 108.08 1xjq h GLY 88 Ca -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1xjq h GLY 88 CO 0.05 0.22 0.00 -0.55 0.00 0.00 0.00 176.54 176.27 1xjq h ASP 89 N 0.67 0.00 -0.00 0.19 3.32 -1.97 -2.57 116.42 116.06 1xjq h ASP 89 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1xjq h ASP 89 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1xjq h ASP 89 CO -0.07 0.00 -0.01 -0.46 -1.72 0.00 0.00 179.24 176.98 1xjq n ASN 90 N -2.53 0.22 -0.13 6.45 6.94 -1.09 -4.86 115.26 120.27 1xjq n ASN 90 Ca 0.02 -0.61 -0.24 0.00 -0.02 0.00 0.00 54.58 53.73 1xjq n ASN 90 Cb 0.27 0.79 -0.10 0.00 -2.36 0.00 0.00 39.78 38.38 1xjq n ASN 90 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1xjq n ILE 91 N -0.79 1.41 -0.33 1.53 2.08 -0.85 -4.38 119.36 118.04 1xjq n ILE 91 Ca 0.00 -0.42 0.08 0.00 0.56 0.00 0.00 62.75 62.97 1xjq n ILE 91 Cb 0.01 -1.68 0.25 0.00 -0.75 0.00 0.00 39.64 37.46 1xjq n ILE 91 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1xjq h ARG 92 N -0.60 0.74 -0.60 0.38 2.43 -1.65 0.18 114.38 115.26 1xjq h ARG 92 Ca -0.62 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 1xjq h ARG 92 Cb 1.67 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 1xjq h ARG 92 CO -0.29 0.49 0.00 1.04 -1.51 0.00 0.00 179.97 179.70 1xjq n GLN 93 N -4.77 2.79 0.00 0.20 1.13 -1.26 -2.51 117.38 112.95 1xjq n GLN 93 Ca 0.19 -2.46 0.00 0.00 -1.94 0.00 0.00 57.00 52.79 1xjq n GLN 93 Cb 0.44 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.32 1xjq n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xjq n GLY 94 N 1.25 1.11 0.25 1.08 0.00 -0.70 -4.75 105.19 103.43 1xjq n GLY 94 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 1xjq n GLY 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xjq h LEU 95 N 0.00 -0.05 -3.50 0.99 5.85 -1.76 -2.43 115.31 114.41 1xjq h LEU 95 Ca 0.00 0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.75 1xjq h LEU 95 Cb 0.00 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 1xjq h LEU 95 CO 0.00 -0.04 0.14 0.59 -0.34 0.00 0.00 178.44 178.78 1xjq n ASN 96 N -5.18 5.06 0.20 1.25 3.02 -0.03 -4.58 115.26 115.01 1xjq n ASN 96 Ca 0.12 -3.01 0.15 0.00 -0.03 0.00 0.00 54.58 51.80 1xjq n ASN 96 Cb 0.41 -0.71 0.60 0.00 -0.61 0.00 0.00 39.78 39.47 1xjq n ASN 96 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1xjq h LYS 97 N 3.12 0.00 -0.47 3.52 2.10 -1.13 -2.37 116.57 121.35 1xjq h LYS 97 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 1xjq h LYS 97 Cb 2.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.42 1xjq h LYS 97 CO 0.59 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.31 1xjq n ASN 98 N -2.66 4.34 -4.44 7.07 0.23 -1.26 -4.91 115.26 113.63 1xjq n ASN 98 Ca 0.01 -2.62 -0.32 0.00 -0.53 0.00 0.00 54.58 51.12 1xjq n ASN 98 Cb 0.26 -0.53 -0.13 0.00 -2.08 0.00 0.00 39.78 37.30 1xjq n ASN 98 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1xjq s LEU 99 N -2.14 2.57 0.00 -4.53 1.43 -0.89 -5.12 118.68 109.99 1xjq s LEU 99 Ca 0.44 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1xjq s LEU 99 Cb 0.31 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1xjq s LEU 99 CO 0.17 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.67 1xjq n GLY 100 N 2.04 5.02 0.68 -3.19 0.00 -1.26 -5.05 105.19 103.44 1xjq n GLY 100 Ca -0.17 -1.75 0.12 0.00 0.00 0.00 0.00 46.02 44.22 1xjq n GLY 100 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1xjq n PHE 101 N 0.00 0.00 -1.52 1.61 1.16 -1.26 -4.16 117.46 113.29 1xjq n PHE 101 Ca 0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.15 1xjq n PHE 101 Cb 0.00 -0.01 -0.00 0.00 -1.61 0.00 0.00 39.48 37.86 1xjq n PHE 101 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 1xjq n SER 102 N 0.55 0.17 -0.28 5.98 3.41 -1.26 -4.71 113.62 117.47 1xjq n SER 102 Ca 0.12 1.05 0.21 0.00 -0.26 0.00 0.00 58.87 59.99 1xjq n SER 102 Cb 0.51 -1.19 0.51 0.00 -0.26 0.00 0.00 64.21 63.78 1xjq n SER 102 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1xjq h PRO 103 N 1.35 0.40 -0.31 4.33 0.11 -2.00 -1.06 132.00 134.81 1xjq h PRO 103 Ca -0.39 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.54 1xjq h PRO 103 Cb 1.37 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1xjq h PRO 103 CO 0.56 0.26 -0.41 0.93 -0.21 0.00 0.00 178.00 179.14 1xjq h GLU 104 N 0.41 0.83 -0.58 1.05 3.07 -1.97 -2.00 114.58 115.39 1xjq h GLU 104 Ca 0.53 -0.47 -0.06 0.00 -0.50 0.00 0.00 59.36 58.85 1xjq h GLU 104 Cb 1.32 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.24 1xjq h GLU 104 CO -0.22 1.11 0.11 -0.44 -1.40 0.00 0.00 179.01 178.16 1xjq h ASP 105 N 0.61 0.87 -0.27 1.42 5.19 -1.65 -0.93 116.42 121.66 1xjq h ASP 105 Ca 0.04 -0.18 -0.13 0.00 -0.62 0.00 0.00 57.03 56.14 1xjq h ASP 105 Cb 1.00 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.28 1xjq h ASP 105 CO 0.10 0.87 -0.33 0.03 -3.12 0.00 0.00 179.24 176.78 1xjq h ARG 106 N 0.87 0.69 -0.42 3.56 3.08 -1.09 0.12 114.38 121.19 1xjq h ARG 106 Ca 0.18 -0.39 0.03 0.00 0.07 0.00 0.00 59.98 59.87 1xjq h ARG 106 Cb 0.36 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 1xjq h ARG 106 CO 0.01 1.00 0.22 1.49 -1.07 0.00 0.00 179.97 181.62 1xjq h GLU 107 N 0.42 0.44 -0.28 0.04 4.81 -1.33 -0.58 114.58 118.11 1xjq h GLU 107 Ca 0.03 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1xjq h GLU 107 Cb 0.91 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 1xjq h GLU 107 CO 0.08 0.29 0.05 1.49 -0.73 0.00 0.00 179.01 180.18 1xjq h GLU 108 N 0.45 0.40 -0.33 1.92 4.57 -0.83 0.59 114.58 121.36 1xjq h GLU 108 Ca 0.18 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1xjq h GLU 108 Cb 0.06 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1xjq h GLU 108 CO -0.11 0.39 0.17 -0.97 -1.18 0.00 0.00 179.01 177.32 1xjq h ASN 109 N 0.40 0.42 0.41 1.04 -1.24 0.68 0.45 115.58 117.73 1xjq h ASN 109 Ca 0.09 -0.10 -0.15 0.00 0.71 0.00 0.00 56.30 56.85 1xjq h ASN 109 Cb 0.19 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 1xjq h ASN 109 CO -0.00 0.40 -0.63 0.58 -1.29 0.00 0.00 177.43 176.49 1xjq h VAL 110 N 0.40 1.40 -0.40 2.57 2.07 -0.61 -2.41 116.25 119.27 1xjq h VAL 110 Ca 0.11 -2.05 -0.02 0.00 0.82 0.00 0.00 66.70 65.57 1xjq h VAL 110 Cb 0.08 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1xjq h VAL 110 CO -0.02 0.60 0.18 -0.09 0.02 0.00 0.00 177.57 178.26 1xjq h ARG 111 N 0.15 0.59 -0.41 1.57 2.43 -0.28 -1.25 114.38 117.18 1xjq h ARG 111 Ca -0.01 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 58.99 1xjq h ARG 111 Cb 1.14 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1xjq h ARG 111 CO 0.10 0.53 -0.02 0.00 -1.51 0.00 0.00 179.97 179.06 1xjq h ARG 112 N 0.51 0.74 -0.71 0.20 3.08 -0.85 -1.14 114.38 116.21 1xjq h ARG 112 Ca 0.14 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1xjq h ARG 112 Cb 0.15 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1xjq h ARG 112 CO -0.01 0.84 0.34 0.82 -1.07 0.00 0.00 179.97 180.88 1xjq h ILE 113 N 0.57 1.23 -0.65 2.04 2.04 -1.28 -1.55 117.51 119.91 1xjq h ILE 113 Ca 0.11 -0.65 -0.07 0.00 1.00 0.00 0.00 64.86 65.25 1xjq h ILE 113 Cb 0.52 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1xjq h ILE 113 CO 0.03 0.27 0.12 0.00 0.00 0.00 0.00 178.15 178.57 1xjq h ALA 114 N 1.17 0.86 -0.30 1.87 0.00 -0.88 0.39 119.26 122.37 1xjq h ALA 114 Ca 0.24 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1xjq h ALA 114 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1xjq h ALA 114 CO -0.03 0.61 -0.14 0.93 0.00 0.00 0.00 179.25 180.63 1xjq h GLU 115 N 0.98 0.51 -0.26 0.00 4.39 -1.00 -0.86 114.58 118.34 1xjq h GLU 115 Ca 0.20 -0.15 -0.15 0.00 0.34 0.00 0.00 59.36 59.60 1xjq h GLU 115 Cb 0.42 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1xjq h GLU 115 CO 0.01 0.64 -0.41 0.28 -1.16 0.00 0.00 179.01 178.37 1xjq h VAL 116 N 0.47 1.30 -0.56 3.13 2.07 -0.80 -2.11 116.25 119.75 1xjq h VAL 116 Ca 0.08 -1.60 0.04 0.00 0.82 0.00 0.00 66.70 66.04 1xjq h VAL 116 Cb 0.51 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 1xjq h VAL 116 CO 0.03 0.51 0.32 0.00 0.02 0.00 0.00 177.57 178.45 1xjq h ALA 117 N 0.66 0.73 -0.60 1.67 0.00 -0.66 -1.00 119.26 120.05 1xjq h ALA 117 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1xjq h ALA 117 Cb 1.00 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 1xjq h ALA 117 CO 0.09 0.01 0.07 -0.22 0.00 0.00 0.00 179.25 179.20 1xjq h LYS 118 N 0.62 0.18 -0.48 0.00 3.64 -1.07 0.54 116.57 120.00 1xjq h LYS 118 Ca 0.24 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1xjq h LYS 118 Cb 0.09 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1xjq h LYS 118 CO -0.13 0.12 0.10 -0.07 -2.27 0.00 0.00 179.45 177.20 1xjq h LEU 119 N 0.19 0.68 -0.46 5.20 3.38 -0.52 0.53 115.31 124.30 1xjq h LEU 119 Ca 0.32 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 58.01 1xjq h LEU 119 Cb 0.50 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1xjq h LEU 119 CO -0.46 0.69 -0.49 -0.26 0.09 0.00 0.00 178.44 178.01 1xjq h PHE 120 N 0.71 0.89 -0.35 1.13 0.04 0.03 -1.16 116.94 118.23 1xjq h PHE 120 Ca 0.16 -0.29 -0.06 0.00 2.80 0.00 0.00 57.97 60.57 1xjq h PHE 120 Cb 0.28 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1xjq h PHE 120 CO 0.01 1.07 -0.01 0.00 -0.60 0.00 0.00 178.31 178.78 1xjq h ALA 121 N 0.88 0.47 -0.55 2.45 0.00 -0.70 -0.73 119.26 121.07 1xjq h ALA 121 Ca 0.03 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.78 1xjq h ALA 121 Cb 1.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1xjq h ALA 121 CO 0.10 0.25 0.37 0.22 0.00 0.00 0.00 179.25 180.19 1xjq h ASP 122 N 0.43 0.32 0.78 0.00 3.58 -0.79 -0.82 116.42 119.92 1xjq h ASP 122 Ca 0.10 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1xjq h ASP 122 Cb 0.47 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1xjq h ASP 122 CO 0.02 0.20 0.00 0.00 -2.88 0.00 0.00 179.24 176.58 1xjq n ALA 123 N -2.53 2.33 0.00 -0.78 0.00 -0.45 -4.88 120.51 114.20 1xjq n ALA 123 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1xjq n ALA 123 Cb 0.36 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1xjq n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xjq n GLY 124 N 1.26 0.93 3.92 0.00 0.00 -0.31 -4.90 105.19 106.09 1xjq n GLY 124 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1xjq n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xjq s LEU 125 N 0.00 4.24 -0.45 0.99 1.02 -0.37 -3.86 118.68 120.26 1xjq s LEU 125 Ca 0.00 0.42 -0.29 0.00 0.02 0.00 0.00 54.13 54.28 1xjq s LEU 125 Cb 0.00 -3.17 0.03 0.00 0.02 0.00 0.00 46.19 43.06 1xjq s LEU 125 CO 0.00 -0.02 1.13 -0.69 0.02 0.00 0.00 176.35 176.79 1xjq s VAL 126 N -1.82 4.26 -0.24 -1.59 1.01 -0.89 -2.75 120.40 118.37 1xjq s VAL 126 Ca 0.39 1.32 -0.15 0.00 0.00 0.00 0.00 61.98 63.54 1xjq s VAL 126 Cb -0.11 -4.57 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 1xjq s VAL 126 CO 0.28 -0.91 0.37 0.00 0.00 0.00 0.00 175.10 174.84 1xjq s ILE 128 N 1.76 4.58 -0.06 0.00 1.01 -0.03 0.13 121.20 128.59 1xjq s ILE 128 Ca 0.16 -0.12 0.05 0.00 0.00 0.00 0.00 60.65 60.74 1xjq s ILE 128 Cb -0.15 -3.03 -0.00 0.00 0.01 0.00 0.00 42.46 39.29 1xjq s ILE 128 CO 0.09 0.50 -0.21 0.42 0.00 0.00 0.00 174.94 175.74 1xjq s THR 129 N 0.09 1.76 -0.48 2.92 -4.23 -0.06 0.83 115.64 116.48 1xjq s THR 129 Ca 0.04 -0.89 0.03 0.00 -1.18 0.00 0.00 61.69 59.69 1xjq s THR 129 Cb -0.13 -1.51 0.14 0.00 1.34 0.00 0.00 72.50 72.35 1xjq s THR 129 CO 0.01 0.50 0.27 -0.55 -0.54 0.00 0.00 174.62 174.30 1xjq s SER 130 N 0.04 3.80 -0.01 3.99 0.15 -0.39 -0.89 113.70 120.39 1xjq s SER 130 Ca -0.07 -2.82 -0.02 0.00 0.70 0.00 0.00 55.95 53.74 1xjq s SER 130 Cb -0.14 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 1xjq s SER 130 CO 0.04 -0.24 0.05 -0.36 1.20 0.00 0.00 173.24 173.93 1xjq s PHE 131 N 0.06 0.01 0.30 3.44 0.40 -1.25 -4.45 117.98 116.50 1xjq s PHE 131 Ca 0.19 -0.01 0.07 0.00 -0.60 0.00 0.00 56.93 56.57 1xjq s PHE 131 Cb -0.22 -0.03 0.82 0.00 0.51 0.00 0.00 43.02 44.10 1xjq s PHE 131 CO -0.02 -0.09 1.69 0.82 0.70 0.00 0.00 175.22 178.32 1xjq h ILE 132 N 4.89 0.45 -5.57 0.64 2.04 -1.85 -3.38 117.51 114.74 1xjq h ILE 132 Ca -0.27 -0.14 -0.30 0.00 1.00 0.00 0.00 64.86 65.15 1xjq h ILE 132 Cb 1.21 -0.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1xjq h ILE 132 CO 0.45 0.08 -0.79 -1.54 0.00 0.00 0.00 178.15 176.35 1xjq n SER 133 N -5.02 -3.44 0.26 1.72 3.41 -1.26 -1.72 113.62 107.57 1xjq n SER 133 Ca 0.25 -0.36 0.15 0.00 -0.26 0.00 0.00 58.87 58.65 1xjq n SER 133 Cb 0.73 -1.06 0.64 0.00 -0.26 0.00 0.00 64.21 64.26 1xjq n SER 133 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1xjq h PRO 134 N 0.83 0.00 -5.09 4.33 0.13 -1.93 -3.44 132.00 126.83 1xjq h PRO 134 Ca -0.41 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.08 1xjq h PRO 134 Cb 0.94 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.86 1xjq h PRO 134 CO 0.20 0.07 -0.62 0.71 -0.23 0.00 0.00 178.00 178.12 1xjq s TYR 135 N -3.70 3.10 0.27 1.56 4.12 -1.26 -1.20 117.35 120.24 1xjq s TYR 135 Ca 0.01 -0.31 -0.04 0.00 0.02 0.00 0.00 57.07 56.74 1xjq s TYR 135 Cb 0.10 -2.14 0.53 0.00 -1.52 0.00 0.00 41.96 38.93 1xjq s TYR 135 CO 0.57 -0.19 1.61 1.15 0.02 0.00 0.00 175.55 178.71 1xjq h THR 136 N 5.32 0.20 -0.57 -0.71 2.02 -1.86 -1.57 112.91 115.74 1xjq h THR 136 Ca -0.37 -0.02 0.11 0.00 0.77 0.00 0.00 66.41 66.90 1xjq h THR 136 Cb 1.18 0.14 -0.11 0.00 -1.74 0.00 0.00 68.15 67.61 1xjq h THR 136 CO 0.62 0.01 -0.24 -0.61 0.37 0.00 0.00 175.52 175.67 1xjq h GLN 137 N 0.06 -0.09 -0.15 6.66 5.75 -1.98 0.35 115.11 125.71 1xjq h GLN 137 Ca 0.48 0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.87 1xjq h GLN 137 Cb 0.88 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.45 1xjq h GLN 137 CO -0.79 -0.06 -0.35 -0.44 -2.65 0.00 0.00 178.83 174.55 1xjq h ASP 138 N -0.09 0.57 -0.60 -0.69 3.45 -1.72 -0.78 116.42 116.56 1xjq h ASP 138 Ca 0.26 -0.57 -0.00 0.00 0.43 0.00 0.00 57.03 57.15 1xjq h ASP 138 Cb 0.50 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 39.08 1xjq h ASP 138 CO -0.64 1.03 0.36 0.03 -1.57 0.00 0.00 179.24 178.46 1xjq h ARG 139 N 0.13 0.82 -0.88 3.56 3.08 -1.15 -0.69 114.38 119.26 1xjq h ARG 139 Ca 0.00 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1xjq h ARG 139 Cb 0.95 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 1xjq h ARG 139 CO 0.08 0.59 0.46 -0.91 -1.07 0.00 0.00 179.97 179.12 1xjq h ASN 140 N 0.82 1.12 -0.72 7.04 -0.26 -0.17 -1.05 115.58 122.34 1xjq h ASN 140 Ca 0.22 -0.11 -0.05 0.00 -0.56 0.00 0.00 56.30 55.79 1xjq h ASN 140 Cb -0.01 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 36.93 1xjq h ASN 140 CO -0.04 0.91 0.24 -1.13 -1.06 0.00 0.00 177.43 176.36 1xjq h ASN 141 N 1.23 1.04 -0.51 5.81 -1.24 -0.82 -2.00 115.58 119.09 1xjq h ASN 141 Ca 0.31 -0.18 -0.02 0.00 0.71 0.00 0.00 56.30 57.11 1xjq h ASN 141 Cb 0.06 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.82 1xjq h ASN 141 CO -0.04 0.96 0.24 0.00 -1.29 0.00 0.00 177.43 177.29 1xjq h ALA 142 N 1.18 0.66 -0.27 1.57 0.00 -0.13 -1.35 119.26 120.93 1xjq h ALA 142 Ca 0.24 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1xjq h ALA 142 Cb 0.28 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1xjq h ALA 142 CO -0.01 0.23 0.10 -0.09 0.00 0.00 0.00 179.25 179.48 1xjq h ARG 143 N 0.68 0.22 -0.32 0.00 2.43 -1.01 -2.78 114.38 113.60 1xjq h ARG 143 Ca 0.17 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1xjq h ARG 143 Cb 0.13 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1xjq h ARG 143 CO -0.02 0.15 -0.01 0.37 -1.51 0.00 0.00 179.97 178.95 1xjq h GLN 144 N 0.23 0.49 -0.79 0.20 5.75 -0.86 0.25 115.11 120.38 1xjq h GLN 144 Ca 0.12 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1xjq h GLN 144 Cb 0.08 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 1xjq h GLN 144 CO -0.11 0.52 0.42 0.82 -2.65 0.00 0.00 178.83 177.83 1xjq h ILE 145 N 0.47 1.24 0.14 2.39 2.04 -1.07 -0.04 117.51 122.67 1xjq h ILE 145 Ca 0.10 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 1xjq h ILE 145 Cb 0.32 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1xjq h ILE 145 CO 0.01 0.27 -0.07 0.45 0.00 0.00 0.00 178.15 178.81 1xjq h HIS 146 N 1.11 -0.17 -0.22 1.37 3.86 -1.11 -3.20 115.15 116.78 1xjq h HIS 146 Ca 0.28 -0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.35 1xjq h HIS 146 Cb 0.05 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1xjq h HIS 146 CO 0.01 0.29 -0.42 0.93 0.86 0.00 0.00 177.93 179.60 1xjq h GLU 147 N -0.79 0.53 0.00 2.45 5.08 -0.36 0.14 114.58 121.63 1xjq h GLU 147 Ca -0.02 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1xjq h GLU 147 Cb 0.54 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1xjq h GLU 147 CO 0.03 0.86 0.00 0.41 -1.00 0.00 0.00 179.01 179.31 1xjq n GLY 148 N -0.00 -1.03 0.71 -3.84 0.00 -0.04 -1.87 105.19 99.12 1xjq n GLY 148 Ca -0.02 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1xjq n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xjq n ALA 149 N -1.60 2.36 -3.48 4.61 0.00 0.29 -4.97 120.51 117.71 1xjq n ALA 149 Ca 0.02 -1.39 -0.21 0.00 0.00 0.00 0.00 53.44 51.86 1xjq n ALA 149 Cb 0.17 -0.51 0.08 0.00 0.00 0.00 0.00 19.45 19.18 1xjq n ALA 149 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xjq n SER 150 N 0.33 -5.33 -4.36 0.00 7.64 -0.64 -5.02 113.62 106.24 1xjq n SER 150 Ca 0.14 -0.51 -0.32 0.00 1.01 0.00 0.00 58.87 59.18 1xjq n SER 150 Cb 0.53 -4.73 -0.15 0.00 -1.01 0.00 0.00 64.21 58.86 1xjq n SER 150 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xjq s LEU 151 N -6.71 2.51 0.37 -3.43 1.43 -0.11 -5.01 118.68 107.74 1xjq s LEU 151 Ca 0.44 -0.36 -0.27 0.00 -1.03 0.00 0.00 54.13 52.91 1xjq s LEU 151 Cb -0.20 -1.52 -0.09 0.00 0.03 0.00 0.00 46.19 44.41 1xjq s LEU 151 CO 0.68 0.23 1.29 -2.84 0.23 0.00 0.00 176.35 175.93 1xjq s PRO 152 N -0.03 4.16 -0.11 1.29 0.02 -1.26 -3.80 135.00 135.26 1xjq s PRO 152 Ca -0.05 2.14 -0.01 0.00 0.02 0.00 0.00 61.00 63.11 1xjq s PRO 152 Cb -0.14 -2.89 0.03 0.00 0.02 0.00 0.00 34.50 31.51 1xjq s PRO 152 CO 0.04 -0.33 -0.05 0.12 -0.33 0.00 0.00 177.00 176.46 1xjq s PHE 153 N -1.22 1.23 -0.33 6.54 5.36 -1.26 -2.33 117.98 125.96 1xjq s PHE 153 Ca 0.53 -0.59 -0.02 0.00 -0.96 0.00 0.00 56.93 55.89 1xjq s PHE 153 Cb -0.38 -1.10 0.07 0.00 -0.34 0.00 0.00 43.02 41.27 1xjq s PHE 153 CO 0.49 -0.47 0.05 -0.06 -1.46 0.00 0.00 175.22 173.78 1xjq s PHE 154 N 1.79 3.37 -0.42 10.12 2.99 0.00 -4.97 117.98 130.87 1xjq s PHE 154 Ca 0.04 -2.05 -0.29 0.00 0.00 0.00 0.00 56.93 54.64 1xjq s PHE 154 Cb -0.13 -2.42 0.02 0.00 0.00 0.00 0.00 43.02 40.49 1xjq s PHE 154 CO -0.07 -0.85 1.13 -2.00 -0.00 0.00 0.00 175.22 173.43 1xjq s GLU 155 N 1.21 3.84 -0.34 0.44 2.12 -1.26 -1.15 118.70 123.56 1xjq s GLU 155 Ca -0.01 0.77 -0.05 0.00 0.36 0.00 0.00 54.97 56.04 1xjq s GLU 155 Cb -0.20 -3.85 0.05 0.00 0.26 0.00 0.00 34.13 30.38 1xjq s GLU 155 CO -0.02 -1.22 0.09 0.08 -0.54 0.00 0.00 175.26 173.65 1xjq s VAL 156 N 4.22 3.58 -0.44 3.70 1.01 -0.04 -1.49 120.40 130.94 1xjq s VAL 156 Ca 0.48 -1.27 -0.25 0.00 0.00 0.00 0.00 61.98 60.94 1xjq s VAL 156 Cb -0.09 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.24 1xjq s VAL 156 CO 0.26 -0.21 0.89 0.12 0.00 0.00 0.00 175.10 176.15 1xjq s PHE 157 N 1.35 2.96 -0.68 5.22 5.36 -0.60 -1.67 117.98 129.92 1xjq s PHE 157 Ca -0.02 0.39 -0.24 0.00 -0.96 0.00 0.00 56.93 56.10 1xjq s PHE 157 Cb -0.20 -3.84 0.05 0.00 -0.34 0.00 0.00 43.02 38.69 1xjq s PHE 157 CO 0.01 -1.03 1.08 0.08 -1.46 0.00 0.00 175.22 173.91 1xjq s VAL 158 N 3.60 4.10 -0.61 3.12 1.01 0.07 -0.39 120.40 131.31 1xjq s VAL 158 Ca 0.35 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.18 1xjq s VAL 158 Cb -0.11 -4.76 0.15 0.00 0.00 0.00 0.00 36.38 31.66 1xjq s VAL 158 CO 0.24 -1.59 0.52 -0.62 0.00 0.00 0.00 175.10 173.66 1xjq s ASP 159 N 3.65 6.12 -0.47 3.32 3.68 0.12 -4.30 116.67 128.79 1xjq s ASP 159 Ca 0.28 -2.17 0.03 0.00 2.13 0.00 0.00 52.55 52.81 1xjq s ASP 159 Cb -0.13 -2.12 0.13 0.00 -1.45 0.00 0.00 42.92 39.35 1xjq s ASP 159 CO 0.13 -0.69 0.25 0.00 0.13 0.00 0.00 175.17 174.99 1xjq s ALA 160 N 0.99 2.57 0.84 3.66 0.00 -1.26 -3.93 121.76 124.63 1xjq s ALA 160 Ca 0.09 -2.85 -0.10 0.00 0.00 0.00 0.00 51.96 49.10 1xjq s ALA 160 Cb -0.23 -1.98 0.10 0.00 0.00 0.00 0.00 23.12 21.01 1xjq s ALA 160 CO -0.02 -2.05 1.11 -1.25 0.00 0.00 0.00 175.76 173.56 1xjq s PRO 161 N 0.10 1.70 0.00 0.00 0.04 -1.26 -4.74 135.00 130.83 1xjq s PRO 161 Ca 0.18 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1xjq s PRO 161 Cb -0.24 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1xjq s PRO 161 CO -0.00 -2.08 0.00 1.28 0.04 0.00 0.00 177.00 176.23 1xjq n LEU 162 N -3.84 0.00 -1.19 -3.56 4.32 -1.26 -5.07 117.00 106.40 1xjq n LEU 162 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.09 1xjq n LEU 162 Cb 0.53 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 1xjq n LEU 162 CO 0.52 0.00 0.06 -1.84 -1.22 0.00 0.00 177.39 174.90 1xjq n GLU 191 N 0.00 0.10 -1.57 3.23 0.28 -1.26 -5.28 120.64 116.13 1xjq n GLU 191 Ca 0.00 0.00 -0.53 0.00 -0.16 0.00 0.00 57.16 56.47 1xjq n GLU 191 Cb 0.00 -1.45 -0.06 0.00 1.43 0.00 0.00 31.44 31.36 1xjq n GLU 191 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1xjq n TYR 192 N 1.15 1.35 -3.65 -1.84 4.19 -1.26 -4.88 117.16 112.23 1xjq n TYR 192 Ca 0.00 0.71 -0.39 0.00 3.31 0.00 0.00 57.90 61.53 1xjq n TYR 192 Cb 0.05 -2.29 -0.10 0.00 0.49 0.00 0.00 39.34 37.49 1xjq n TYR 192 CO 0.00 0.00 0.00 -1.21 0.91 0.00 0.00 176.86 176.56 1xjq s GLU 193 N 0.35 2.40 0.31 2.98 2.02 -0.34 -5.06 118.70 121.36 1xjq s GLU 193 Ca 0.85 -1.64 -0.30 0.00 0.02 0.00 0.00 54.97 53.91 1xjq s GLU 193 Cb -1.00 -3.74 -0.12 0.00 0.10 0.00 0.00 34.13 29.37 1xjq s GLU 193 CO 0.49 -1.04 1.48 1.63 0.02 0.00 0.00 175.26 177.83 1xjq n LYS 194 N 4.82 2.44 -1.90 1.61 5.02 -1.26 -4.40 118.16 124.49 1xjq n LYS 194 Ca -0.08 0.86 -0.39 0.00 -2.02 0.00 0.00 58.31 56.69 1xjq n LYS 194 Cb 0.42 -2.57 0.01 0.00 -0.02 0.00 0.00 35.03 32.87 1xjq n LYS 194 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xjq s PRO 195 N -1.06 3.63 -0.08 1.97 0.04 -1.26 -4.96 135.00 133.28 1xjq s PRO 195 Ca 0.61 2.25 -0.15 0.00 0.04 0.00 0.00 61.00 63.75 1xjq s PRO 195 Cb -0.54 -2.56 -0.28 0.00 0.04 0.00 0.00 34.50 31.15 1xjq s PRO 195 CO 0.54 -0.80 0.61 0.93 0.04 0.00 0.00 177.00 178.32 1xjq h GLU 196 N 2.18 0.29 -2.10 4.56 4.39 -2.02 -3.40 114.58 118.49 1xjq h GLU 196 Ca -0.50 -0.50 -0.56 0.00 0.34 0.00 0.00 59.36 58.13 1xjq h GLU 196 Cb 1.27 0.19 -0.40 0.00 -0.10 0.00 0.00 28.75 29.70 1xjq h GLU 196 CO 0.60 1.24 -0.91 0.00 -1.16 0.00 0.00 179.01 178.79 1xjq n ALA 197 N -2.92 3.16 -1.65 3.43 0.00 -1.26 -5.11 120.51 116.16 1xjq n ALA 197 Ca -0.24 -3.99 -0.35 0.00 0.00 0.00 0.00 53.44 48.86 1xjq n ALA 197 Cb 0.95 -0.85 0.04 0.00 0.00 0.00 0.00 19.45 19.59 1xjq n ALA 197 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1xjq s PRO 198 N -2.12 2.92 0.47 0.00 0.04 -1.26 -4.91 135.00 130.14 1xjq s PRO 198 Ca 0.39 1.67 0.20 0.00 0.04 0.00 0.00 61.00 63.30 1xjq s PRO 198 Cb 0.21 -1.94 1.18 0.00 0.04 0.00 0.00 34.50 33.99 1xjq s PRO 198 CO -0.08 -1.21 2.01 0.93 0.04 0.00 0.00 177.00 178.70 1xjq h GLU 199 N 0.62 0.00 -2.97 4.56 3.07 -1.63 -3.45 114.58 114.78 1xjq h GLU 199 Ca -0.49 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.27 1xjq h GLU 199 Cb 1.28 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 29.00 1xjq h GLU 199 CO 0.55 0.17 -0.18 -1.17 -1.40 0.00 0.00 179.01 176.98 1xjq s LEU 200 N -8.00 0.58 -0.18 1.33 2.96 -1.13 -5.03 118.68 109.22 1xjq s LEU 200 Ca -0.03 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 1xjq s LEU 200 Cb 0.14 1.54 0.03 0.00 0.50 0.00 0.00 46.19 48.40 1xjq s LEU 200 CO 0.65 -0.55 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.30 1xjq s VAL 201 N -1.83 1.80 -0.36 1.68 1.01 -1.26 -1.56 120.40 119.87 1xjq s VAL 201 Ca -0.10 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.82 1xjq s VAL 201 Cb -0.03 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1xjq s VAL 201 CO 0.02 0.34 0.23 -0.76 0.00 0.00 0.00 175.10 174.94 1xjq s LEU 202 N 1.36 4.64 -1.25 3.92 1.43 0.48 -4.98 118.68 124.29 1xjq s LEU 202 Ca 0.02 -0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 52.28 1xjq s LEU 202 Cb -0.15 -2.09 0.13 0.00 0.03 0.00 0.00 46.19 44.11 1xjq s LEU 202 CO -0.10 -0.32 1.57 0.29 0.23 0.00 0.00 176.35 178.02 1xjq n LYS 203 N 5.07 3.30 0.22 1.70 4.76 -1.26 0.15 118.16 132.10 1xjq n LYS 203 Ca -0.12 -3.62 0.09 0.00 -2.87 0.00 0.00 58.31 51.79 1xjq n LYS 203 Cb 0.48 -3.22 0.48 0.00 -1.84 0.00 0.00 35.03 30.93 1xjq n LYS 203 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1xjq h THR 204 N 4.98 0.67 0.00 -0.18 1.35 -1.82 -1.51 112.91 116.40 1xjq h THR 204 Ca 0.37 -1.11 -0.03 0.00 -0.55 0.00 0.00 66.41 65.09 1xjq h THR 204 Cb 0.87 1.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1xjq h THR 204 CO 1.34 0.24 -0.16 0.44 -0.25 0.00 0.00 175.52 177.13 1xjq h ASP 205 N 0.00 0.00 0.00 5.36 3.45 -1.89 -3.36 116.42 119.98 1xjq h ASP 205 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1xjq h ASP 205 Cb 0.69 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.46 1xjq h ASP 205 CO 0.03 0.16 -1.13 -1.54 -1.57 0.00 0.00 179.24 175.20 1xjq n SER 206 N -3.27 3.43 -4.47 6.45 3.41 -0.94 -4.99 113.62 113.25 1xjq n SER 206 Ca 0.01 -0.07 -0.30 0.00 -0.26 0.00 0.00 58.87 58.25 1xjq n SER 206 Cb 0.43 1.21 -0.12 0.00 -0.26 0.00 0.00 64.21 65.47 1xjq n SER 206 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xjq s ASP 208 N -1.92 4.36 0.12 0.00 3.84 -1.26 -4.62 116.67 117.19 1xjq s ASP 208 Ca 0.17 0.98 -0.20 0.00 -0.00 0.00 0.00 52.55 53.50 1xjq s ASP 208 Cb -0.11 -1.59 -0.07 0.00 -1.38 0.00 0.00 42.92 39.78 1xjq s ASP 208 CO 0.08 -2.02 1.77 0.58 -0.00 0.00 0.00 175.17 175.58 1xjq h VAL 209 N -1.13 1.03 -0.25 2.11 2.07 -1.98 -2.57 116.25 115.53 1xjq h VAL 209 Ca -0.47 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 66.98 1xjq h VAL 209 Cb 1.31 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1xjq h VAL 209 CO 0.63 0.04 0.17 0.78 0.02 0.00 0.00 177.57 179.21 1xjq h ASN 210 N 0.22 0.24 0.12 0.57 2.35 -1.98 0.30 115.58 117.40 1xjq h ASN 210 Ca 0.07 -0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.62 1xjq h ASN 210 Cb -0.01 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1xjq h ASN 210 CO -0.03 0.17 -0.73 0.44 -1.65 0.00 0.00 177.43 175.63 1xjq h ASP 211 N 0.28 0.63 0.10 5.81 3.32 -1.84 0.84 116.42 125.56 1xjq h ASP 211 Ca 0.10 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 1xjq h ASP 211 Cb 0.05 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1xjq h ASP 211 CO -0.02 1.17 -0.05 0.00 -1.72 0.00 0.00 179.24 178.62 1xjq h VAL 213 N -0.24 1.04 -0.67 0.00 2.07 -0.89 -1.22 116.25 116.34 1xjq h VAL 213 Ca -0.01 -0.14 0.14 0.00 0.82 0.00 0.00 66.70 67.51 1xjq h VAL 213 Cb 0.20 0.60 -0.10 0.00 -1.52 0.00 0.00 31.29 30.47 1xjq h VAL 213 CO 0.02 0.07 0.13 1.56 0.02 0.00 0.00 177.57 179.37 1xjq h GLN 214 N 0.40 0.23 -0.98 1.57 1.08 -0.79 0.19 115.11 116.81 1xjq h GLN 214 Ca 0.13 -0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.41 1xjq h GLN 214 Cb -0.00 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.30 1xjq h GLN 214 CO -0.06 0.15 0.63 1.96 -0.95 0.00 0.00 178.83 180.57 1xjq h GLN 215 N 0.24 1.01 -0.04 1.46 4.20 0.14 0.34 115.11 122.46 1xjq h GLN 215 Ca 0.36 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.99 1xjq h GLN 215 Cb 0.59 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1xjq h GLN 215 CO -0.48 0.67 -0.06 0.28 -0.67 0.00 0.00 178.83 178.57 1xjq h VAL 216 N 1.04 1.41 -0.60 -0.54 2.07 -0.16 -2.51 116.25 116.96 1xjq h VAL 216 Ca 0.45 -1.31 0.09 0.00 0.82 0.00 0.00 66.70 66.76 1xjq h VAL 216 Cb 0.35 2.18 -0.07 0.00 -1.52 0.00 0.00 31.29 32.22 1xjq h VAL 216 CO -0.21 0.36 0.23 0.58 0.02 0.00 0.00 177.57 178.54 1xjq h VAL 217 N -0.37 0.78 -0.50 2.57 2.07 -0.44 0.26 116.25 120.62 1xjq h VAL 217 Ca 0.00 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1xjq h VAL 217 Cb 0.61 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1xjq h VAL 217 CO 0.01 0.08 0.26 -0.33 0.02 0.00 0.00 177.57 177.61 1xjq h GLU 218 N 0.41 0.49 -0.45 1.57 5.08 -0.92 -0.24 114.58 120.51 1xjq h GLU 218 Ca 0.30 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1xjq h GLU 218 Cb 0.37 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1xjq h GLU 218 CO -0.30 0.32 0.30 1.25 -1.00 0.00 0.00 179.01 179.58 1xjq h LEU 219 N 0.50 0.52 -1.59 1.33 5.85 -0.89 -0.84 115.31 120.19 1xjq h LEU 219 Ca 0.22 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 1xjq h LEU 219 Cb 0.13 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1xjq h LEU 219 CO -0.15 0.38 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.12 1xjq h LEU 220 N 0.61 0.09 -0.01 2.25 3.38 -0.15 -2.28 115.31 119.19 1xjq h LEU 220 Ca 0.16 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1xjq h LEU 220 Cb -0.07 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1xjq h LEU 220 CO -0.04 0.24 -0.02 1.56 0.09 0.00 0.00 178.44 180.27 1xjq h GLN 221 N 0.09 0.04 -0.99 1.13 4.20 -0.30 0.16 115.11 119.45 1xjq h GLN 221 Ca 0.02 -0.03 0.22 0.00 0.06 0.00 0.00 58.65 58.92 1xjq h GLN 221 Cb 0.30 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.99 1xjq h GLN 221 CO 0.02 0.59 0.63 0.93 -0.67 0.00 0.00 178.83 180.33 1xjq h GLU 222 N -0.50 0.52 -0.52 1.46 3.07 -0.97 -1.64 114.58 115.99 1xjq h GLU 222 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1xjq h GLU 222 Cb 0.59 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1xjq h GLU 222 CO 0.01 0.34 0.00 0.54 -1.40 0.00 0.00 179.01 178.50 1xjq n ARG 223 N -4.65 3.63 -3.46 2.33 5.12 -0.88 -4.97 116.66 113.78 1xjq n ARG 223 Ca 0.23 -2.81 -0.21 0.00 -1.93 0.00 0.00 57.85 53.13 1xjq n ARG 223 Cb 0.71 -1.85 0.07 0.00 -1.16 0.00 0.00 32.46 30.23 1xjq n ARG 223 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1xjq n ASP 224 N 0.66 -5.82 -0.12 0.55 8.00 -0.62 -4.92 116.55 114.28 1xjq n ASP 224 Ca 0.23 -0.48 -0.25 0.00 0.71 0.00 0.00 54.79 55.00 1xjq n ASP 224 Cb 0.87 -4.49 -0.08 0.00 -0.02 0.00 0.00 41.12 37.40 1xjq n ASP 224 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1xjq n ILE 225 N -4.70 1.44 -3.72 0.53 2.08 0.48 -4.90 119.36 110.57 1xjq n ILE 225 Ca 0.01 -0.29 -0.36 0.00 0.56 0.00 0.00 62.75 62.66 1xjq n ILE 225 Cb 0.55 -1.92 -0.07 0.00 -0.75 0.00 0.00 39.64 37.46 1xjq n ILE 225 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1xjq s VAL 226 N -2.53 5.40 0.17 1.39 1.01 -1.09 -4.88 120.40 119.88 1xjq s VAL 226 Ca -0.35 0.29 -0.32 0.00 0.00 0.00 0.00 61.98 61.61 1xjq s VAL 226 Cb 0.13 -3.49 -0.11 0.00 0.00 0.00 0.00 36.38 32.90 1xjq s VAL 226 CO 0.45 0.49 1.71 -2.84 0.00 0.00 0.00 175.10 174.91 1xjq s PRO 227 N -0.08 4.15 0.54 2.72 0.02 -1.26 -4.02 135.00 137.07 1xjq s PRO 227 Ca 0.12 2.53 0.31 0.00 0.02 0.00 0.00 61.00 63.99 1xjq s PRO 227 Cb -0.12 -3.23 1.48 0.00 0.02 0.00 0.00 34.50 32.65 1xjq s PRO 227 CO 0.02 -0.74 1.88 0.28 -0.33 0.00 0.00 177.00 178.11 1xjq h VAL 228 N 4.10 0.53 -0.27 3.83 2.07 -1.96 -3.41 116.25 121.14 1xjq h VAL 228 Ca -0.43 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.33 1xjq h VAL 228 Cb 1.20 0.55 -0.21 0.00 -1.52 0.00 0.00 31.29 31.32 1xjq h VAL 228 CO 0.94 0.00 0.15 -0.62 0.02 0.00 0.00 177.57 178.07 1xjq s ASP 229 N -5.57 -0.38 -0.28 0.57 -1.08 -1.26 -5.06 116.67 103.61 1xjq s ASP 229 Ca -0.05 0.22 0.08 0.00 -0.52 0.00 0.00 52.55 52.28 1xjq s ASP 229 Cb 0.21 1.31 0.46 0.00 -1.46 0.00 0.00 42.92 43.44 1xjq s ASP 229 CO 0.75 -0.07 1.19 0.00 0.52 0.00 0.00 175.17 177.56 1xjq n ALA 230 N 5.45 4.81 -1.71 3.66 0.00 -1.26 -4.96 120.51 126.49 1xjq n ALA 230 Ca -0.06 -3.71 -0.35 0.00 0.00 0.00 0.00 53.44 49.32 1xjq n ALA 230 Cb 0.54 -0.34 0.03 0.00 0.00 0.00 0.00 19.45 19.69 1xjq n ALA 230 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xjq s SER 231 N -3.56 5.25 -0.29 0.00 1.04 -1.26 -5.00 113.70 109.88 1xjq s SER 231 Ca 0.49 2.31 -0.31 0.00 0.48 0.00 0.00 55.95 58.92 1xjq s SER 231 Cb 0.40 -2.59 -0.13 0.00 0.10 0.00 0.00 66.02 63.80 1xjq s SER 231 CO 0.03 -1.55 1.02 0.00 0.98 0.00 0.00 173.24 173.71 1xjq n TYR 232 N -1.66 1.07 -1.98 5.02 9.36 -1.26 -4.90 117.16 122.82 1xjq n TYR 232 Ca 0.13 0.76 -0.42 0.00 3.32 0.00 0.00 57.90 61.69 1xjq n TYR 232 Cb 0.50 -1.47 -0.03 0.00 -0.63 0.00 0.00 39.34 37.71 1xjq n TYR 232 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1xjq s GLU 233 N 1.72 4.22 -0.02 2.98 2.12 -1.26 -4.86 118.70 123.60 1xjq s GLU 233 Ca 0.69 2.28 -0.30 0.00 0.36 0.00 0.00 54.97 58.00 1xjq s GLU 233 Cb -0.98 -3.48 -0.04 0.00 0.26 0.00 0.00 34.13 29.89 1xjq s GLU 233 CO 0.52 -0.67 1.15 0.08 -0.54 0.00 0.00 175.26 175.80 1xjq s VAL 234 N 2.21 4.34 -0.62 3.70 1.01 -1.26 -4.99 120.40 124.80 1xjq s VAL 234 Ca 0.71 1.67 -0.13 0.00 0.00 0.00 0.00 61.98 64.23 1xjq s VAL 234 Cb -0.39 -4.07 0.16 0.00 0.00 0.00 0.00 36.38 32.07 1xjq s VAL 234 CO 0.31 0.06 0.54 -0.75 0.00 0.00 0.00 175.10 175.26 1xjq s LYS 235 N 1.66 3.03 0.61 2.72 2.20 -1.26 -5.05 119.74 123.64 1xjq s LYS 235 Ca 0.55 -2.00 -0.17 0.00 -0.36 0.00 0.00 55.97 53.99 1xjq s LYS 235 Cb -0.25 -4.21 -0.02 0.00 -1.51 0.00 0.00 37.83 31.83 1xjq s LYS 235 CO 0.25 -1.28 1.12 -1.21 -0.36 0.00 0.00 175.35 173.87 1xjq s GLU 236 N 1.00 3.01 0.00 4.03 2.02 -1.26 -4.07 118.70 123.43 1xjq s GLU 236 Ca 0.09 1.51 0.05 0.00 0.02 0.00 0.00 54.97 56.64 1xjq s GLU 236 Cb -0.23 -1.97 0.14 0.00 0.10 0.00 0.00 34.13 32.18 1xjq s GLU 236 CO -0.02 -1.10 1.08 1.28 0.02 0.00 0.00 175.26 176.52 1xjq n LEU 237 N -1.94 2.35 -4.76 1.80 4.77 -0.20 -4.90 117.00 114.11 1xjq n LEU 237 Ca 0.11 -1.88 -0.41 0.00 -0.03 0.00 0.00 56.01 53.80 1xjq n LEU 237 Cb 0.51 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 1xjq n LEU 237 CO 0.45 0.58 1.14 -0.31 -1.33 0.00 0.00 177.39 177.92 1xjq s TYR 238 N -0.94 2.80 0.26 -1.77 4.12 -1.22 -0.73 117.35 119.88 1xjq s TYR 238 Ca 0.11 1.05 -0.29 0.00 0.02 0.00 0.00 57.07 57.95 1xjq s TYR 238 Cb 0.06 -3.94 -0.10 0.00 -1.52 0.00 0.00 41.96 36.46 1xjq s TYR 238 CO 0.08 -2.94 1.30 0.54 0.02 0.00 0.00 175.55 174.55 1xjq s VAL 239 N -0.51 2.98 0.72 0.71 0.11 0.03 -4.79 120.40 119.64 1xjq s VAL 239 Ca 0.57 0.89 -0.16 0.00 -2.93 0.00 0.00 61.98 60.35 1xjq s VAL 239 Cb -0.45 -3.57 0.03 0.00 -1.53 0.00 0.00 36.38 30.87 1xjq s VAL 239 CO 0.52 0.17 1.26 -2.84 -3.33 0.00 0.00 175.10 170.88 1xjq s PRO 240 N -0.93 2.11 0.58 1.54 0.02 -1.26 -4.74 135.00 132.32 1xjq s PRO 240 Ca 0.53 1.93 0.28 0.00 0.02 0.00 0.00 61.00 63.75 1xjq s PRO 240 Cb -0.38 -1.81 1.74 0.00 0.02 0.00 0.00 34.50 34.08 1xjq s PRO 240 CO 0.45 -1.90 2.24 1.05 -0.33 0.00 0.00 177.00 178.50 1xjq h GLU 241 N -0.14 0.00 0.00 5.54 9.09 -1.99 -1.68 114.58 125.40 1xjq h GLU 241 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 1xjq h GLU 241 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 1xjq h GLU 241 CO 0.50 0.00 0.00 0.27 0.05 0.00 0.00 179.01 179.83 1xjq n ASN 242 N -3.94 0.00 -0.35 3.06 6.94 -1.26 -3.51 115.26 116.20 1xjq n ASN 242 Ca -0.03 0.35 0.03 0.00 -0.02 0.00 0.00 54.58 54.92 1xjq n ASN 242 Cb 0.10 -0.45 0.07 0.00 -2.36 0.00 0.00 39.78 37.14 1xjq n ASN 242 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1xjq n LYS 243 N -1.45 1.88 -0.09 -3.83 5.02 -0.64 -4.80 118.16 114.26 1xjq n LYS 243 Ca 0.08 -1.51 -0.11 0.00 -2.02 0.00 0.00 58.31 54.75 1xjq n LYS 243 Cb 0.28 -1.15 -0.04 0.00 -0.02 0.00 0.00 35.03 34.09 1xjq n LYS 243 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1xjq h LEU 244 N 1.26 0.44 -0.15 -0.35 5.85 -1.59 -0.75 115.31 120.02 1xjq h LEU 244 Ca 0.00 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1xjq h LEU 244 Cb 0.51 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1xjq h LEU 244 CO 0.00 0.64 0.05 -0.74 -0.34 0.00 0.00 178.44 178.05 1xjq h HIS 245 N 0.23 0.24 -0.99 1.25 2.76 -1.87 1.16 115.15 117.93 1xjq h HIS 245 Ca 0.07 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.25 1xjq h HIS 245 Cb 0.42 -0.07 -0.06 0.00 1.55 0.00 0.00 27.41 29.25 1xjq h HIS 245 CO 0.04 0.35 0.65 -0.07 -1.30 0.00 0.00 177.93 177.60 1xjq h LEU 246 N 0.06 1.08 -0.59 0.26 4.07 -1.89 -0.03 115.31 118.27 1xjq h LEU 246 Ca 0.05 -0.01 -0.14 0.00 0.08 0.00 0.00 57.88 57.86 1xjq h LEU 246 Cb 0.23 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 1xjq h LEU 246 CO -0.00 0.74 -0.39 0.00 -1.08 0.00 0.00 178.44 177.71 1xjq h ALA 247 N 1.41 0.77 -0.12 1.53 0.00 0.47 0.28 119.26 123.60 1xjq h ALA 247 Ca 0.39 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1xjq h ALA 247 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1xjq h ALA 247 CO -0.13 0.65 -0.37 0.87 0.00 0.00 0.00 179.25 180.28 1xjq h LYS 248 N 0.57 0.25 -0.18 0.00 1.57 0.19 0.14 116.57 119.11 1xjq h LYS 248 Ca 0.05 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1xjq h LYS 248 Cb 0.92 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1xjq h LYS 248 CO 0.08 0.59 -0.04 1.15 -0.57 0.00 0.00 179.45 180.67 1xjq h THR 249 N 0.21 1.28 -0.47 -0.16 2.02 -0.56 -2.45 112.91 112.79 1xjq h THR 249 Ca 0.02 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 1xjq h THR 249 Cb 0.76 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1xjq h THR 249 CO 0.06 0.30 0.25 -0.78 0.37 0.00 0.00 175.52 175.71 1xjq h ASP 250 N 0.05 0.57 0.25 4.18 3.58 -0.06 -2.00 116.42 123.01 1xjq h ASP 250 Ca 0.05 -0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 1xjq h ASP 250 Cb 0.47 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1xjq h ASP 250 CO 0.02 0.47 -0.28 0.00 -2.88 0.00 0.00 179.24 176.57 1xjq h ALA 251 N 1.62 1.49 -0.60 -0.78 0.00 -0.73 -2.72 119.26 117.54 1xjq h ALA 251 Ca 0.17 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1xjq h ALA 251 Cb 0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1xjq h ALA 251 CO -0.03 0.38 0.39 1.49 0.00 0.00 0.00 179.25 181.48 1xjq h GLU 252 N 0.04 0.77 0.00 0.00 4.57 -0.88 -2.25 114.58 116.82 1xjq h GLU 252 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1xjq h GLU 252 Cb 0.52 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1xjq h GLU 252 CO 0.04 0.51 0.06 0.25 -1.18 0.00 0.00 179.01 178.68 1xjq n THR 253 N -4.69 1.45 -3.95 0.32 -2.24 -1.03 -4.87 114.28 99.29 1xjq n THR 253 Ca 0.04 0.60 -0.23 0.00 -2.27 0.00 0.00 64.05 62.19 1xjq n THR 253 Cb 0.03 -1.60 -0.02 0.00 -2.10 0.00 0.00 70.33 66.64 1xjq n THR 253 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xjq s LEU 254 N -3.50 4.32 1.25 3.22 1.43 -0.85 -5.08 118.68 119.46 1xjq s LEU 254 Ca -0.01 0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.06 1xjq s LEU 254 Cb 0.02 -2.89 0.32 0.00 0.03 0.00 0.00 46.19 43.67 1xjq s LEU 254 CO 0.07 -0.03 0.99 -2.84 0.23 0.00 0.00 176.35 174.78 1xjq s PRO 255 N -3.71 -1.57 0.03 1.29 0.02 -1.26 -4.73 135.00 125.07 1xjq s PRO 255 Ca 0.34 0.67 0.01 0.00 0.02 0.00 0.00 61.00 62.05 1xjq s PRO 255 Cb -0.10 -1.49 -0.02 0.00 0.02 0.00 0.00 34.50 32.91 1xjq s PRO 255 CO 0.29 -4.11 -0.05 0.00 -0.33 0.00 0.00 177.00 172.79 1xjq s ALA 256 N -2.38 0.36 -0.09 -1.55 0.00 -1.26 -0.72 121.76 116.12 1xjq s ALA 256 Ca 0.69 -0.66 -0.01 0.00 0.00 0.00 0.00 51.96 51.98 1xjq s ALA 256 Cb -0.23 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.00 1xjq s ALA 256 CO 0.64 -0.08 -0.04 -1.17 0.00 0.00 0.00 175.76 175.11 1xjq s LEU 257 N -1.46 0.90 0.30 0.00 2.96 -0.01 -4.95 118.68 116.43 1xjq s LEU 257 Ca -0.12 -0.19 -0.28 0.00 -0.22 0.00 0.00 54.13 53.32 1xjq s LEU 257 Cb -0.10 -0.63 -0.09 0.00 0.50 0.00 0.00 46.19 45.87 1xjq s LEU 257 CO -0.00 -0.15 1.00 -0.54 -1.32 0.00 0.00 176.35 175.33 1xjq s LYS 258 N 1.79 4.60 0.19 1.98 1.02 -1.26 -0.63 119.74 127.43 1xjq s LYS 258 Ca 0.04 1.52 0.04 0.00 0.02 0.00 0.00 55.97 57.58 1xjq s LYS 258 Cb -0.12 -2.98 -0.05 0.00 -0.52 0.00 0.00 37.83 34.16 1xjq s LYS 258 CO -0.06 0.25 -0.04 0.96 -0.92 0.00 0.00 175.35 175.54 1xjq s ILE 259 N -1.40 1.03 0.00 2.17 -4.36 -0.30 -4.85 121.20 113.50 1xjq s ILE 259 Ca 0.48 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.83 1xjq s ILE 259 Cb -0.24 -2.12 0.00 0.00 1.25 0.00 0.00 42.46 41.35 1xjq s ILE 259 CO 0.31 -0.51 0.00 -0.46 0.24 0.00 0.00 174.94 174.52 1xjq n ASN 260 N -0.31 0.30 0.01 4.36 0.23 -1.26 -4.60 115.26 113.99 1xjq n ASN 260 Ca -0.07 -1.00 -0.15 0.00 -0.53 0.00 0.00 54.58 52.83 1xjq n ASN 260 Cb 0.63 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.28 1xjq n ASN 260 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 1xjq h LYS 261 N 0.00 0.65 -0.45 -3.83 3.64 -1.99 -0.57 116.57 114.01 1xjq h LYS 261 Ca 0.00 -0.55 -0.03 0.00 -1.27 0.00 0.00 60.65 58.80 1xjq h LYS 261 Cb 0.00 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1xjq h LYS 261 CO 0.00 1.17 0.16 0.28 -2.27 0.00 0.00 179.45 178.79 1xjq h VAL 262 N 0.43 1.21 -0.90 2.00 2.07 -1.99 0.06 116.25 119.13 1xjq h VAL 262 Ca -0.06 -0.68 0.09 0.00 0.82 0.00 0.00 66.70 66.88 1xjq h VAL 262 Cb 1.42 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.92 1xjq h VAL 262 CO 0.15 0.25 0.55 0.44 0.02 0.00 0.00 177.57 178.98 1xjq h ASP 263 N 0.59 0.82 0.83 0.57 3.32 -1.84 -1.61 116.42 119.10 1xjq h ASP 263 Ca 0.15 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 1xjq h ASP 263 Cb 0.22 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1xjq h ASP 263 CO -0.01 0.48 -0.45 -0.03 -1.72 0.00 0.00 179.24 177.51 1xjq h MET 264 N 0.93 0.00 -0.40 3.56 4.05 -0.29 0.28 114.93 123.06 1xjq h MET 264 Ca 0.42 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.74 1xjq h MET 264 Cb 0.34 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 1xjq h MET 264 CO -0.23 0.45 -0.18 1.96 0.23 0.00 0.00 176.91 179.14 1xjq h GLN 265 N 0.00 0.76 -0.17 0.39 4.20 -0.09 -1.36 115.11 118.85 1xjq h GLN 265 Ca -0.00 -0.28 -0.15 0.00 0.06 0.00 0.00 58.65 58.28 1xjq h GLN 265 Cb 0.99 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1xjq h GLN 265 CO 0.06 0.88 -0.52 -1.49 -0.67 0.00 0.00 178.83 177.09 1xjq h TRP 266 N 0.67 0.58 -0.74 2.96 -0.00 -0.58 -1.68 115.95 117.16 1xjq h TRP 266 Ca 0.10 -0.20 0.05 0.00 -0.00 0.00 0.00 58.89 58.84 1xjq h TRP 266 Cb 0.67 -0.11 -0.04 0.00 -0.00 0.00 0.00 29.16 29.68 1xjq h TRP 266 CO 0.03 0.89 0.49 0.28 -0.00 0.00 0.00 178.44 180.14 1xjq h VAL 267 N 0.37 1.06 -0.34 1.49 2.07 0.11 -1.12 116.25 119.89 1xjq h VAL 267 Ca 0.01 -0.29 -0.17 0.00 0.82 0.00 0.00 66.70 67.07 1xjq h VAL 267 Cb 1.04 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1xjq h VAL 267 CO 0.09 0.15 -0.46 -0.61 0.02 0.00 0.00 177.57 176.76 1xjq h GLN 268 N 0.83 0.92 -0.48 1.57 4.15 -0.82 0.62 115.11 121.91 1xjq h GLN 268 Ca 0.31 -0.53 0.09 0.00 0.77 0.00 0.00 58.65 59.29 1xjq h GLN 268 Cb 0.17 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 27.82 1xjq h GLN 268 CO -0.10 1.18 0.01 0.28 -1.93 0.00 0.00 178.83 178.27 1xjq h VAL 269 N 0.73 0.64 0.17 2.39 2.07 -0.88 -1.65 116.25 119.72 1xjq h VAL 269 Ca 0.04 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1xjq h VAL 269 Cb 1.07 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1xjq h VAL 269 CO 0.11 0.02 -0.08 -0.07 0.02 0.00 0.00 177.57 177.57 1xjq h LEU 270 N 0.13 -0.19 -0.83 2.57 3.38 -0.94 -2.05 115.31 117.37 1xjq h LEU 270 Ca 0.24 -0.22 0.16 0.00 0.09 0.00 0.00 57.88 58.15 1xjq h LEU 270 Cb 0.35 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.05 1xjq h LEU 270 CO -0.39 0.13 0.39 0.00 0.09 0.00 0.00 178.44 178.66 1xjq h ALA 271 N 0.23 1.25 -0.00 1.53 0.00 -0.78 -1.22 119.26 120.26 1xjq h ALA 271 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xjq h ALA 271 Cb 0.41 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1xjq h ALA 271 CO 0.04 -0.17 -0.05 0.39 0.00 0.00 0.00 179.25 179.46 1xjq n GLU 272 N -4.94 0.89 -0.42 0.00 1.02 -0.63 -1.03 120.64 115.53 1xjq n GLU 272 Ca 0.17 -0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1xjq n GLU 272 Cb 0.47 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1xjq n GLU 272 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xjq n GLY 273 N 1.18 0.79 0.24 0.62 0.00 -0.46 -4.26 105.19 103.29 1xjq n GLY 273 Ca 0.18 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1xjq n GLY 273 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1xjq h TRP 274 N 0.00 0.00 -0.86 1.61 4.06 -1.58 -1.79 115.95 117.39 1xjq h TRP 274 Ca 0.00 0.00 -0.40 0.00 2.06 0.00 0.00 58.89 60.55 1xjq h TRP 274 Cb 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 29.16 27.92 1xjq h TRP 274 CO 0.00 0.19 0.48 0.00 -3.56 0.00 0.00 178.44 175.55 1xjq n ALA 275 N -2.24 5.18 -1.64 1.49 0.00 -1.26 -4.50 120.51 117.55 1xjq n ALA 275 Ca -0.01 -2.76 -0.47 0.00 0.00 0.00 0.00 53.44 50.20 1xjq n ALA 275 Cb 0.37 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 1xjq n ALA 275 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1xjq n THR 276 N -0.86 0.53 -1.33 0.00 -1.04 -0.67 -1.09 114.28 109.82 1xjq n THR 276 Ca 0.52 -0.13 -0.16 0.00 -2.04 0.00 0.00 64.05 62.23 1xjq n THR 276 Cb 1.53 -1.23 0.19 0.00 -1.82 0.00 0.00 70.33 69.00 1xjq n THR 276 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1xjq n PRO 277 N 2.40 2.09 -1.74 -2.82 -0.04 -1.26 -5.01 135.00 128.61 1xjq n PRO 277 Ca 0.15 -3.10 -0.39 0.00 -0.04 0.00 0.00 63.50 60.13 1xjq n PRO 277 Cb 0.27 -2.03 0.04 0.00 -0.04 0.00 0.00 33.50 31.74 1xjq n PRO 277 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xjq n LEU 278 N -1.14 5.46 -1.01 1.53 4.77 -0.25 -4.89 117.00 121.47 1xjq n LEU 278 Ca 0.49 0.99 0.12 0.00 -0.03 0.00 0.00 56.01 57.58 1xjq n LEU 278 Cb 1.41 -1.58 0.15 0.00 -2.33 0.00 0.00 43.42 41.07 1xjq n LEU 278 CO 0.44 -0.54 0.65 0.59 -1.33 0.00 0.00 177.39 177.20 1xjq n ASN 279 N -0.89 3.15 0.00 -1.43 5.03 -1.26 -4.98 115.26 114.87 1xjq n ASN 279 Ca 0.10 -1.97 0.00 0.00 0.87 0.00 0.00 54.58 53.58 1xjq n ASN 279 Cb 0.44 -0.11 0.00 0.00 -1.02 0.00 0.00 39.78 39.09 1xjq n ASN 279 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xjq n GLY 280 N 1.37 -0.64 3.74 7.41 0.00 -1.24 -0.79 105.19 115.04 1xjq n GLY 280 Ca 0.16 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 1xjq n GLY 280 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xjq n PHE 281 N 7.46 2.73 -1.70 1.61 3.01 -1.17 -4.87 117.46 124.53 1xjq n PHE 281 Ca 0.00 0.40 -0.43 0.00 1.01 0.00 0.00 57.45 58.42 1xjq n PHE 281 Cb 0.00 -2.53 -0.03 0.00 -0.01 0.00 0.00 39.48 36.92 1xjq n PHE 281 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1xjq n MET 282 N 1.22 2.45 -1.91 -1.08 2.81 -0.02 -2.04 117.12 118.55 1xjq n MET 282 Ca 0.05 0.88 -0.29 0.00 -1.81 0.00 0.00 57.70 56.53 1xjq n MET 282 Cb 0.37 -2.65 0.11 0.00 -0.71 0.00 0.00 33.22 30.34 1xjq n MET 282 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1xjq s ARG 283 N 0.29 1.64 0.23 0.03 0.52 -1.26 -3.69 118.95 116.71 1xjq s ARG 283 Ca 0.71 -0.02 -0.07 0.00 -0.52 0.00 0.00 55.73 55.83 1xjq s ARG 283 Cb -0.57 -1.93 0.24 0.00 0.52 0.00 0.00 34.95 33.21 1xjq s ARG 283 CO 0.42 -1.79 1.90 1.49 0.02 0.00 0.00 175.30 177.34 1xjq h GLU 284 N -1.20 1.16 -0.47 3.54 4.81 -1.95 -1.62 114.58 118.85 1xjq h GLU 284 Ca -0.46 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1xjq h GLU 284 Cb 1.31 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 1xjq h GLU 284 CO 0.59 0.77 0.30 -0.09 -0.73 0.00 0.00 179.01 179.84 1xjq h ARG 285 N 1.19 0.59 -0.36 1.92 2.43 -1.99 -0.81 114.38 117.35 1xjq h ARG 285 Ca 0.34 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.42 1xjq h ARG 285 Cb -0.09 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1xjq h ARG 285 CO -0.09 0.39 -0.01 0.93 -1.51 0.00 0.00 179.97 179.69 1xjq h GLU 286 N 0.61 0.63 -0.80 0.20 5.08 -1.81 -1.90 114.58 116.60 1xjq h GLU 286 Ca 0.18 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1xjq h GLU 286 Cb -0.04 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 1xjq h GLU 286 CO -0.06 0.75 0.51 -0.92 -1.00 0.00 0.00 179.01 178.29 1xjq h TYR 287 N 0.45 0.95 -0.28 4.33 3.20 -0.93 0.10 116.97 124.79 1xjq h TYR 287 Ca 0.10 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.87 1xjq h TYR 287 Cb 0.47 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1xjq h TYR 287 CO 0.04 0.55 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.67 1xjq h LEU 288 N 0.99 0.66 -0.40 2.82 3.38 -1.04 -1.00 115.31 120.71 1xjq h LEU 288 Ca 0.32 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1xjq h LEU 288 Cb 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1xjq h LEU 288 CO -0.12 0.96 -0.06 1.56 0.09 0.00 0.00 178.44 180.87 1xjq h GLN 289 N 0.52 0.76 -0.06 1.13 4.20 -1.05 -0.91 115.11 119.70 1xjq h GLN 289 Ca 0.05 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 1xjq h GLN 289 Cb 0.87 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.59 1xjq h GLN 289 CO 0.07 0.87 0.02 0.00 -0.67 0.00 0.00 178.83 179.12 1xjq h LEU 291 N -0.11 0.63 0.10 0.00 3.38 -1.05 -2.34 115.31 115.91 1xjq h LEU 291 Ca 0.02 -0.21 -0.32 0.00 0.09 0.00 0.00 57.88 57.45 1xjq h LEU 291 Cb 0.22 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1xjq h LEU 291 CO -0.00 0.84 -1.71 0.45 0.09 0.00 0.00 178.44 178.12 1xjq h HIS 292 N 0.55 0.38 0.00 1.13 3.86 -1.18 -3.42 115.15 116.47 1xjq h HIS 292 Ca 0.08 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1xjq h HIS 292 Cb 0.68 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1xjq h HIS 292 CO 0.03 1.43 -0.15 1.19 0.86 0.00 0.00 177.93 181.29 1xjq n PHE 293 N -3.38 0.00 -1.48 2.45 3.01 0.01 -5.01 117.46 113.05 1xjq n PHE 293 Ca -0.21 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.08 1xjq n PHE 293 Cb 1.05 -0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 40.45 1xjq n PHE 293 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1xjq n ASP 294 N -1.07 -5.13 -3.78 4.37 8.00 -0.88 -4.96 116.55 113.10 1xjq n ASP 294 Ca 0.00 0.41 -0.13 0.00 0.71 0.00 0.00 54.79 55.78 1xjq n ASP 294 Cb 0.01 -4.10 -0.10 0.00 -0.02 0.00 0.00 41.12 36.91 1xjq n ASP 294 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xjq s LEU 296 N -0.84 4.32 -0.00 0.00 1.43 0.01 -3.63 118.68 119.96 1xjq s LEU 296 Ca -0.09 1.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.90 1xjq s LEU 296 Cb -0.04 -4.03 -0.00 0.00 0.03 0.00 0.00 46.19 42.15 1xjq s LEU 296 CO 0.03 -0.14 0.00 0.18 0.23 0.00 0.00 176.35 176.65 1xjq n LEU 297 N 0.49 0.00 -4.62 1.79 4.77 -1.25 -1.00 117.00 117.17 1xjq n LEU 297 Ca 0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.57 1xjq n LEU 297 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1xjq n LEU 297 CO 0.45 0.00 1.15 -1.81 -1.33 0.00 0.00 177.39 175.85 1xjq s ASP 298 N -2.31 6.62 -0.10 -1.43 1.01 -1.26 -2.55 116.67 116.64 1xjq s ASP 298 Ca -0.00 1.13 -0.00 0.00 0.71 0.00 0.00 52.55 54.38 1xjq s ASP 298 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1xjq s ASP 298 CO 0.01 -1.14 0.04 0.61 0.21 0.00 0.00 175.17 174.90 1xjq n GLY 299 N 4.45 0.58 0.00 0.21 0.00 -1.26 -4.92 105.19 104.25 1xjq n GLY 299 Ca 0.15 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1xjq n GLY 299 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xjq n GLY 300 N -0.81 3.47 3.63 -0.02 0.00 -1.06 -5.03 105.19 105.38 1xjq n GLY 300 Ca -0.01 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 1xjq n GLY 300 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xjq s VAL 301 N -1.36 4.92 0.04 1.61 1.01 -1.26 -3.78 120.40 121.58 1xjq s VAL 301 Ca 0.00 1.31 0.03 0.00 0.00 0.00 0.00 61.98 63.33 1xjq s VAL 301 Cb 0.00 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1xjq s VAL 301 CO 0.00 -0.01 -0.10 -0.51 0.00 0.00 0.00 175.10 174.47 1xjq s ILE 302 N 2.63 0.80 0.05 2.22 2.07 -0.17 -4.62 121.20 124.18 1xjq s ILE 302 Ca 0.30 -0.92 -0.31 0.00 -1.41 0.00 0.00 60.65 58.31 1xjq s ILE 302 Cb -0.15 -0.77 -0.07 0.00 0.13 0.00 0.00 42.46 41.60 1xjq s ILE 302 CO 0.08 -0.13 1.41 0.21 -1.91 0.00 0.00 174.94 174.60 1xjq s ASN 303 N -1.17 6.83 -0.29 4.50 3.84 -0.50 -0.81 114.94 127.33 1xjq s ASN 303 Ca -0.03 2.22 0.02 0.00 0.21 0.00 0.00 52.86 55.29 1xjq s ASN 303 Cb -0.08 -2.57 0.20 0.00 -0.55 0.00 0.00 41.25 38.25 1xjq s ASN 303 CO 0.01 -0.69 0.63 -0.22 -2.79 0.00 0.00 177.10 174.04 1xjq s LEU 304 N 1.82 -1.45 0.00 3.21 0.20 0.06 -4.80 118.68 117.72 1xjq s LEU 304 Ca 0.65 0.41 0.10 0.00 0.69 0.00 0.00 54.13 55.98 1xjq s LEU 304 Cb -0.34 2.02 0.01 0.00 -0.43 0.00 0.00 46.19 47.45 1xjq s LEU 304 CO 0.29 -0.27 0.67 -1.54 -0.29 0.00 0.00 176.35 175.21 1xjq n SER 305 N 5.41 1.32 -4.22 3.68 3.41 -1.22 -2.93 113.62 119.05 1xjq n SER 305 Ca 0.03 -1.16 -0.29 0.00 -0.26 0.00 0.00 58.87 57.19 1xjq n SER 305 Cb 0.53 0.41 -0.16 0.00 -0.26 0.00 0.00 64.21 64.73 1xjq n SER 305 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1xjq s VAL 306 N -1.33 1.82 0.32 -3.33 -7.23 -1.26 -4.82 120.40 104.57 1xjq s VAL 306 Ca 0.09 -0.94 -0.29 0.00 -1.81 0.00 0.00 61.98 59.02 1xjq s VAL 306 Cb 0.08 -1.55 -0.12 0.00 0.56 0.00 0.00 36.38 35.36 1xjq s VAL 306 CO 0.25 0.51 1.53 -2.65 -0.31 0.00 0.00 175.10 174.43 1xjq n PRO 307 N 2.96 2.61 -3.91 4.82 -0.02 -1.26 -4.95 135.00 135.25 1xjq n PRO 307 Ca -0.17 0.92 -0.30 0.00 -2.02 0.00 0.00 63.50 61.93 1xjq n PRO 307 Cb 0.52 -2.67 -0.14 0.00 -0.02 0.00 0.00 33.50 31.20 1xjq n PRO 307 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xjq s ILE 308 N -0.42 2.42 0.09 4.25 1.01 -1.26 -5.07 121.20 122.21 1xjq s ILE 308 Ca 0.60 -3.25 0.01 0.00 0.00 0.00 0.00 60.65 58.01 1xjq s ILE 308 Cb -0.51 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1xjq s ILE 308 CO 0.54 -0.82 -0.06 0.68 0.00 0.00 0.00 174.94 175.28 1xjq s VAL 309 N -0.25 0.58 -0.13 2.92 -7.23 -1.26 -0.84 120.40 114.19 1xjq s VAL 309 Ca 0.17 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.48 1xjq s VAL 309 Cb -0.25 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.08 1xjq s VAL 309 CO -0.01 -0.89 -0.20 -0.22 -0.31 0.00 0.00 175.10 173.48 1xjq s LEU 310 N -2.97 2.29 0.37 1.32 2.96 -1.25 -5.00 118.68 116.39 1xjq s LEU 310 Ca 0.10 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 1xjq s LEU 310 Cb 0.05 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.24 1xjq s LEU 310 CO -0.06 0.12 0.54 0.42 -1.32 0.00 0.00 176.35 176.05 1xjq s THR 311 N 0.59 4.36 -0.11 3.68 -4.23 -1.26 0.56 115.64 119.24 1xjq s THR 311 Ca -0.11 -0.73 -0.30 0.00 -1.18 0.00 0.00 61.69 59.37 1xjq s THR 311 Cb -0.16 -3.56 0.09 0.00 1.34 0.00 0.00 72.50 70.20 1xjq s THR 311 CO 0.03 -0.30 0.78 0.00 -0.54 0.00 0.00 174.62 174.58 1xjq s ALA 312 N -2.31 -1.82 0.68 3.99 0.00 -0.52 -4.84 121.76 116.95 1xjq s ALA 312 Ca 0.44 1.48 -0.11 0.00 0.00 0.00 0.00 51.96 53.77 1xjq s ALA 312 Cb -0.10 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.67 1xjq s ALA 312 CO 0.34 -0.35 1.06 0.95 0.00 0.00 0.00 175.76 177.76 1xjq s THR 313 N -0.96 4.09 0.25 0.00 -4.23 -1.26 -1.42 115.64 112.12 1xjq s THR 313 Ca -0.07 0.68 -0.03 0.00 -1.18 0.00 0.00 61.69 61.09 1xjq s THR 313 Cb -0.01 -3.56 0.24 0.00 1.34 0.00 0.00 72.50 70.51 1xjq s THR 313 CO 0.06 -0.89 1.69 -0.74 -0.54 0.00 0.00 174.62 174.21 1xjq h HIS 314 N -0.59 0.38 -0.40 3.99 2.76 -1.96 0.31 115.15 119.63 1xjq h HIS 314 Ca -0.44 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 57.74 1xjq h HIS 314 Cb 1.22 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 30.11 1xjq h HIS 314 CO 0.60 -0.06 0.14 0.93 -1.30 0.00 0.00 177.93 178.24 1xjq h GLU 315 N 0.32 0.61 -0.20 5.26 3.07 -1.99 0.78 114.58 122.43 1xjq h GLU 315 Ca 0.45 -0.12 -0.13 0.00 -0.50 0.00 0.00 59.36 59.05 1xjq h GLU 315 Cb 0.77 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 1xjq h GLU 315 CO -0.50 0.60 -0.44 -0.44 -1.40 0.00 0.00 179.01 176.83 1xjq h ASP 316 N 0.50 0.51 -0.36 1.42 3.32 -1.82 -2.02 116.42 117.97 1xjq h ASP 316 Ca 0.13 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1xjq h ASP 316 Cb 0.23 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1xjq h ASP 316 CO -0.01 0.89 0.18 0.50 -1.72 0.00 0.00 179.24 179.08 1xjq h LYS 317 N 0.39 0.51 -0.26 3.56 3.11 -0.09 -1.26 116.57 122.54 1xjq h LYS 317 Ca 0.03 -0.07 -0.10 0.00 -2.81 0.00 0.00 60.65 57.70 1xjq h LYS 317 Cb 0.92 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.04 1xjq h LYS 317 CO 0.08 0.45 -0.27 0.93 -2.81 0.00 0.00 179.45 177.83 1xjq h GLU 318 N 0.45 0.50 -0.64 1.90 5.08 -0.78 0.84 114.58 121.95 1xjq h GLU 318 Ca 0.13 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1xjq h GLU 318 Cb 0.09 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1xjq h GLU 318 CO -0.02 0.73 0.08 -0.09 -1.00 0.00 0.00 179.01 178.71 1xjq h ARG 319 N 0.44 1.06 0.00 2.33 2.43 -1.14 -3.32 114.38 116.18 1xjq h ARG 319 Ca 0.06 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1xjq h ARG 319 Cb 0.70 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1xjq h ARG 319 CO 0.05 0.98 -1.71 1.28 -1.51 0.00 0.00 179.97 179.06 1xjq n LEU 320 N -4.21 0.26 -4.72 3.80 4.77 -0.50 -4.87 117.00 111.53 1xjq n LEU 320 Ca 0.04 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.53 1xjq n LEU 320 Cb 0.30 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1xjq n LEU 320 CO 0.43 0.04 0.99 -0.62 -1.33 0.00 0.00 177.39 176.90 1xjq s ASP 321 N -4.25 6.91 0.00 -1.43 -1.08 0.29 -1.42 116.67 115.68 1xjq s ASP 321 Ca -0.04 2.29 0.00 0.00 -0.52 0.00 0.00 52.55 54.28 1xjq s ASP 321 Cb 0.14 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 1xjq s ASP 321 CO 0.89 -0.56 0.00 0.61 0.52 0.00 0.00 175.17 176.63 1xjq n GLY 322 N 2.97 2.09 3.76 2.66 0.00 -1.26 -4.95 105.19 110.46 1xjq n GLY 322 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1xjq n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xjq n THR 324 N 1.16 0.00 -3.57 0.00 -2.24 -1.26 -4.59 114.28 103.77 1xjq n THR 324 Ca -0.01 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.47 1xjq n THR 324 Cb 0.48 0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 69.31 1xjq n THR 324 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xjq s ALA 325 N -2.35 -1.93 0.07 6.98 0.00 -1.26 -0.92 121.76 122.35 1xjq s ALA 325 Ca 0.27 1.55 -0.23 0.00 0.00 0.00 0.00 51.96 53.55 1xjq s ALA 325 Cb 0.19 -0.63 0.06 0.00 0.00 0.00 0.00 23.12 22.74 1xjq s ALA 325 CO 0.47 -0.34 0.55 -0.59 0.00 0.00 0.00 175.76 175.85 1xjq s PHE 326 N -1.27 -0.46 -0.05 0.00 -0.12 -0.85 -4.49 117.98 110.75 1xjq s PHE 326 Ca -0.01 0.45 -0.07 0.00 -0.05 0.00 0.00 56.93 57.26 1xjq s PHE 326 Cb -0.00 0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 1xjq s PHE 326 CO 0.01 -0.70 0.21 0.00 -0.05 0.00 0.00 175.22 174.70 1xjq s ALA 327 N -2.76 3.87 -0.02 1.99 0.00 0.10 -0.56 121.76 124.39 1xjq s ALA 327 Ca -0.04 -0.60 -0.21 0.00 0.00 0.00 0.00 51.96 51.11 1xjq s ALA 327 Cb -0.00 -2.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.04 1xjq s ALA 327 CO -0.04 0.64 0.60 -0.51 0.00 0.00 0.00 175.76 176.45 1xjq s LEU 328 N -1.45 4.40 -0.16 0.00 1.43 0.37 -0.83 118.68 122.45 1xjq s LEU 328 Ca 0.22 1.14 0.01 0.00 -1.03 0.00 0.00 54.13 54.47 1xjq s LEU 328 Cb -0.13 -2.92 0.02 0.00 0.03 0.00 0.00 46.19 43.19 1xjq s LEU 328 CO 0.12 0.07 -0.16 -0.32 0.23 0.00 0.00 176.35 176.30 1xjq s MET 329 N -0.05 2.47 -0.09 1.70 -2.45 0.19 -0.46 119.30 120.61 1xjq s MET 329 Ca 0.31 -0.62 0.04 0.00 -1.25 0.00 0.00 55.69 54.17 1xjq s MET 329 Cb -0.18 -2.22 0.00 0.00 1.25 0.00 0.00 34.83 33.69 1xjq s MET 329 CO 0.17 -0.23 -0.20 -0.47 1.05 0.00 0.00 175.02 175.34 1xjq s TYR 330 N 1.43 2.20 -1.64 4.11 5.04 0.38 -1.15 117.35 127.72 1xjq s TYR 330 Ca 0.05 -0.87 -0.08 0.00 -2.44 0.00 0.00 57.07 53.73 1xjq s TYR 330 Cb -0.13 -1.50 0.08 0.00 0.35 0.00 0.00 41.96 40.76 1xjq s TYR 330 CO -0.11 -0.36 0.24 0.39 -1.34 0.00 0.00 175.55 174.37 1xjq n GLU 331 N 3.58 -1.16 -0.00 4.97 1.02 -1.26 -1.52 120.64 126.27 1xjq n GLU 331 Ca -0.20 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1xjq n GLU 331 Cb 0.53 -4.05 0.00 0.00 -0.02 0.00 0.00 31.44 27.89 1xjq n GLU 331 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xjq n GLY 332 N -2.05 2.66 3.87 0.62 0.00 -1.26 -4.99 105.19 104.05 1xjq n GLY 332 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1xjq n GLY 332 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xjq s ARG 333 N -0.11 3.66 -0.55 1.61 0.52 -0.58 -5.05 118.95 118.45 1xjq s ARG 333 Ca 0.00 0.07 -0.28 0.00 -0.52 0.00 0.00 55.73 55.00 1xjq s ARG 333 Cb 0.00 -3.12 0.03 0.00 0.52 0.00 0.00 34.95 32.38 1xjq s ARG 333 CO 0.00 0.67 1.13 1.03 0.02 0.00 0.00 175.30 178.15 1xjq s ARG 334 N -1.49 3.53 0.00 3.54 0.52 -1.26 -0.47 118.95 123.32 1xjq s ARG 334 Ca 0.25 0.24 0.22 0.00 -0.52 0.00 0.00 55.73 55.92 1xjq s ARG 334 Cb -0.14 -3.99 -0.21 0.00 0.52 0.00 0.00 34.95 31.13 1xjq s ARG 334 CO 0.14 -1.57 0.74 1.33 0.02 0.00 0.00 175.30 175.96 1xjq n VAL 335 N 6.63 0.06 -3.54 3.52 0.24 0.39 -4.75 118.33 120.88 1xjq n VAL 335 Ca 0.08 -0.29 -0.12 0.00 -2.04 0.00 0.00 64.34 61.97 1xjq n VAL 335 Cb 0.49 0.34 -0.05 0.00 -1.47 0.00 0.00 33.84 33.16 1xjq n VAL 335 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xjq s ALA 336 N -3.28 -1.86 -0.06 2.33 0.00 -1.23 -0.87 121.76 116.79 1xjq s ALA 336 Ca -0.00 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1xjq s ALA 336 Cb 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 1xjq s ALA 336 CO 0.87 -0.42 -0.03 0.42 0.00 0.00 0.00 175.76 176.60 1xjq s ILE 337 N -1.66 4.03 -0.26 0.00 1.01 0.48 -0.48 121.20 124.32 1xjq s ILE 337 Ca -0.02 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 1xjq s ILE 337 Cb -0.00 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.78 1xjq s ILE 337 CO 0.01 0.55 -0.01 -0.22 0.00 0.00 0.00 174.94 175.26 1xjq s LEU 338 N -1.02 3.38 0.07 2.97 2.96 0.28 -0.91 118.68 126.42 1xjq s LEU 338 Ca 0.14 -0.76 0.01 0.00 -0.22 0.00 0.00 54.13 53.30 1xjq s LEU 338 Cb -0.11 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1xjq s LEU 338 CO 0.04 -0.14 0.21 -0.13 -1.32 0.00 0.00 176.35 175.01 1xjq s ARG 339 N 1.40 3.40 -1.26 1.98 0.52 0.12 -2.00 118.95 123.12 1xjq s ARG 339 Ca 0.02 -0.48 -0.17 0.00 -0.52 0.00 0.00 55.73 54.58 1xjq s ARG 339 Cb -0.17 -3.01 0.01 0.00 0.52 0.00 0.00 34.95 32.30 1xjq s ARG 339 CO -0.02 0.59 0.62 0.09 0.02 0.00 0.00 175.30 176.60 1xjq n ASN 340 N 0.18 -3.27 -4.77 0.23 3.02 -0.10 -1.16 115.26 109.39 1xjq n ASN 340 Ca -0.06 -1.09 -0.34 0.00 -0.03 0.00 0.00 54.58 53.06 1xjq n ASN 340 Cb 0.51 -2.80 0.02 0.00 -0.61 0.00 0.00 39.78 36.90 1xjq n ASN 340 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1xjq s PRO 341 N -6.55 3.16 -0.00 3.52 0.04 -1.26 -4.54 135.00 129.37 1xjq s PRO 341 Ca 0.32 1.53 0.04 0.00 0.04 0.00 0.00 61.00 62.93 1xjq s PRO 341 Cb -0.13 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 1xjq s PRO 341 CO 0.90 -0.99 -0.14 -1.83 0.04 0.00 0.00 177.00 174.98 1xjq s GLU 342 N -3.58 1.10 -0.10 4.56 -1.05 0.11 -4.97 118.70 114.77 1xjq s GLU 342 Ca 0.71 -0.55 -0.01 0.00 -0.15 0.00 0.00 54.97 54.97 1xjq s GLU 342 Cb -0.23 -1.07 -0.03 0.00 -0.44 0.00 0.00 34.13 32.36 1xjq s GLU 342 CO 0.32 0.29 -0.05 -0.06 0.95 0.00 0.00 175.26 176.71 1xjq s PHE 343 N -0.42 2.98 0.20 4.83 0.40 -1.26 -0.31 117.98 124.40 1xjq s PHE 343 Ca 0.05 -0.10 -0.12 0.00 -0.60 0.00 0.00 56.93 56.17 1xjq s PHE 343 Cb -0.06 -1.80 -0.00 0.00 0.51 0.00 0.00 43.02 41.67 1xjq s PHE 343 CO -0.00 0.20 0.39 -0.59 0.70 0.00 0.00 175.22 175.92 1xjq s PHE 344 N -0.39 0.31 0.17 0.36 -0.12 -0.59 -4.97 117.98 112.75 1xjq s PHE 344 Ca 0.06 -0.67 -0.30 0.00 -0.05 0.00 0.00 56.93 55.97 1xjq s PHE 344 Cb -0.12 0.10 -0.08 0.00 -0.63 0.00 0.00 43.02 42.29 1xjq s PHE 344 CO 0.02 -0.85 1.20 -1.21 -0.05 0.00 0.00 175.22 174.33 1xjq s GLU 345 N -3.97 4.48 0.08 1.99 2.02 -1.26 -0.60 118.70 121.44 1xjq s GLU 345 Ca 0.18 1.87 -0.35 0.00 0.02 0.00 0.00 54.97 56.69 1xjq s GLU 345 Cb 0.01 -3.25 -0.17 0.00 0.10 0.00 0.00 34.13 30.82 1xjq s GLU 345 CO 0.03 -0.12 1.54 1.25 0.02 0.00 0.00 175.26 177.99 1xjq h HIS 346 N 5.48 -1.37 -4.72 1.61 -0.00 -0.93 -3.43 115.15 111.78 1xjq h HIS 346 Ca -0.44 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.94 1xjq h HIS 346 Cb 1.21 0.53 0.00 0.00 -0.00 0.00 0.00 27.41 29.15 1xjq h HIS 346 CO 0.63 -0.67 -0.16 0.54 -0.00 0.00 0.00 177.93 178.27 1xjq n ARG 347 N -5.46 -1.31 -0.03 5.26 1.74 -1.26 -4.70 116.66 110.89 1xjq n ARG 347 Ca -0.12 1.44 -0.15 0.00 -0.77 0.00 0.00 57.85 58.24 1xjq n ARG 347 Cb 0.46 -4.62 -0.09 0.00 -1.02 0.00 0.00 32.46 27.19 1xjq n ARG 347 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1xjq h LYS 348 N 0.83 0.42 -0.21 5.56 1.57 -1.95 0.13 116.57 122.92 1xjq h LYS 348 Ca 0.00 -0.33 0.01 0.00 -1.87 0.00 0.00 60.65 58.45 1xjq h LYS 348 Cb 0.89 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1xjq h LYS 348 CO 0.19 0.96 0.13 1.49 -0.57 0.00 0.00 179.45 181.65 1xjq h GLU 349 N -0.02 0.26 -0.67 3.15 4.81 -1.99 0.18 114.58 120.30 1xjq h GLU 349 Ca -0.02 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1xjq h GLU 349 Cb 1.02 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 1xjq h GLU 349 CO 0.08 0.17 0.22 1.49 -0.73 0.00 0.00 179.01 180.24 1xjq h GLU 350 N 0.26 1.03 0.05 1.92 4.81 -1.87 -1.26 114.58 119.52 1xjq h GLU 350 Ca 0.08 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1xjq h GLU 350 Cb -0.02 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1xjq h GLU 350 CO -0.03 0.89 -0.03 -0.09 -0.73 0.00 0.00 179.01 179.02 1xjq h ARG 351 N 0.96 -0.07 -0.37 1.92 2.43 -0.86 -0.28 114.38 118.12 1xjq h ARG 351 Ca 0.22 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.44 1xjq h ARG 351 Cb 0.28 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 1xjq h ARG 351 CO -0.01 -0.02 0.12 0.00 -1.51 0.00 0.00 179.97 178.55 1xjq h ALA 353 N 1.25 0.76 -0.04 0.00 0.00 -0.85 0.68 119.26 121.06 1xjq h ALA 353 Ca 0.17 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 1xjq h ALA 353 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xjq h ALA 353 CO -0.18 -0.01 -0.80 0.00 0.00 0.00 0.00 179.25 178.26 1xjq h ARG 354 N 0.60 0.34 0.16 0.00 3.08 -0.77 0.13 114.38 117.93 1xjq h ARG 354 Ca 0.26 -0.31 -0.24 0.00 0.07 0.00 0.00 59.98 59.76 1xjq h ARG 354 Cb 0.14 0.08 0.03 0.00 0.08 0.00 0.00 29.97 30.29 1xjq h ARG 354 CO -0.16 0.98 -1.02 0.37 -1.07 0.00 0.00 179.97 179.06 1xjq h GLN 355 N 0.22 0.42 0.00 0.04 4.15 -0.81 -3.37 115.11 115.76 1xjq h GLN 355 Ca -0.04 -0.66 0.00 0.00 0.77 0.00 0.00 58.65 58.72 1xjq h GLN 355 Cb 1.39 0.24 0.00 0.00 0.21 0.00 0.00 27.48 29.32 1xjq h GLN 355 CO 0.13 1.30 -1.28 0.91 -1.93 0.00 0.00 178.83 177.96 1xjq n TRP 356 N -3.99 0.00 -1.69 3.99 8.01 0.22 -4.73 117.44 119.26 1xjq n TRP 356 Ca -0.14 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 55.96 1xjq n TRP 356 Cb 0.90 -0.15 -0.02 0.00 -2.01 0.00 0.00 31.31 30.03 1xjq n TRP 356 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xjq n GLY 357 N 1.43 0.54 3.58 6.99 0.00 0.47 -4.98 105.19 113.22 1xjq n GLY 357 Ca 0.01 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.38 1xjq n GLY 357 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xjq s THR 358 N -2.36 0.00 -0.27 2.61 -1.32 -1.24 -5.04 115.64 108.02 1xjq s THR 358 Ca 0.00 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.58 1xjq s THR 358 Cb 0.00 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.22 1xjq s THR 358 CO 0.00 0.00 1.16 0.35 -2.21 0.00 0.00 174.62 173.92 1xjq n THR 359 N 0.03 1.43 -1.55 5.08 -2.24 -1.26 -3.59 114.28 112.18 1xjq n THR 359 Ca -0.03 -1.46 -0.61 0.00 -2.27 0.00 0.00 64.05 59.69 1xjq n THR 359 Cb 0.59 0.19 -0.10 0.00 -2.10 0.00 0.00 70.33 68.92 1xjq n THR 359 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xjq h LYS 361 N 7.76 0.00 -0.27 0.00 2.10 -1.97 -1.71 116.57 122.49 1xjq h LYS 361 Ca -0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 1xjq h LYS 361 Cb 1.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 1xjq h LYS 361 CO 1.01 0.10 0.00 0.09 -2.00 0.00 0.00 179.45 178.66 1xjq n ASN 362 N -3.55 1.93 -4.74 7.07 3.02 -1.26 -4.02 115.26 113.71 1xjq n ASN 362 Ca -0.02 -1.84 -0.41 0.00 -0.03 0.00 0.00 54.58 52.28 1xjq n ASN 362 Cb 0.24 -0.17 -0.04 0.00 -0.61 0.00 0.00 39.78 39.19 1xjq n ASN 362 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1xjq s HIS 363 N -1.65 3.49 0.29 3.10 5.65 -0.65 -4.86 115.29 120.66 1xjq s HIS 363 Ca 0.30 1.51 0.03 0.00 0.25 0.00 0.00 55.06 57.15 1xjq s HIS 363 Cb 0.16 -3.37 0.44 0.00 -1.18 0.00 0.00 32.58 28.63 1xjq s HIS 363 CO 0.23 -0.94 1.74 -1.00 -0.65 0.00 0.00 174.74 174.12 1xjq h PRO 364 N 5.07 0.48 -0.13 2.88 0.13 -1.89 0.58 132.00 139.12 1xjq h PRO 364 Ca -0.45 -0.17 -0.20 0.00 -0.87 0.00 0.00 66.00 64.31 1xjq h PRO 364 Cb 1.21 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.32 1xjq h PRO 364 CO 0.73 0.68 -0.72 -0.92 -0.23 0.00 0.00 178.00 177.54 1xjq h TYR 365 N 0.43 0.97 -0.80 1.56 5.03 -1.90 -3.10 116.97 119.16 1xjq h TYR 365 Ca 0.07 -0.44 0.05 0.00 2.58 0.00 0.00 58.73 60.99 1xjq h TYR 365 Cb 0.63 -0.15 -0.05 0.00 1.55 0.00 0.00 36.73 38.71 1xjq h TYR 365 CO 0.02 1.26 0.52 0.82 -1.32 0.00 0.00 178.16 179.46 1xjq h ILE 366 N 0.41 1.09 -0.68 1.81 2.04 -1.81 0.46 117.51 120.84 1xjq h ILE 366 Ca -0.05 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1xjq h ILE 366 Cb 1.36 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1xjq h ILE 366 CO 0.15 0.17 0.42 0.50 0.00 0.00 0.00 178.15 179.39 1xjq h LYS 367 N 0.94 0.92 -0.82 2.37 3.64 0.10 0.04 116.57 123.75 1xjq h LYS 367 Ca 0.33 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1xjq h LYS 367 Cb 0.11 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 1xjq h LYS 367 CO -0.10 0.64 0.43 0.52 -2.27 0.00 0.00 179.45 178.67 1xjq h MET 368 N 0.92 1.16 -0.70 1.90 2.86 -1.12 -3.00 114.93 116.95 1xjq h MET 368 Ca 0.24 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1xjq h MET 368 Cb -0.05 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.36 1xjq h MET 368 CO -0.05 0.87 0.37 0.28 1.06 0.00 0.00 176.91 179.43 1xjq h VAL 369 N 1.15 1.22 0.00 -2.22 2.07 0.35 -2.73 116.25 116.08 1xjq h VAL 369 Ca 0.29 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1xjq h VAL 369 Cb 0.06 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1xjq h VAL 369 CO -0.04 0.25 -0.17 0.24 0.02 0.00 0.00 177.57 177.86 1xjq h MET 370 N 0.98 0.00 -0.22 1.57 2.07 -0.94 -2.18 114.93 116.22 1xjq h MET 370 Ca 0.25 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.88 1xjq h MET 370 Cb 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.78 1xjq h MET 370 CO -0.04 0.17 0.00 0.39 1.07 0.00 0.00 176.91 178.50 1xjq n GLU 371 N -3.44 1.86 -2.45 1.72 1.02 -1.03 -4.94 120.64 113.37 1xjq n GLU 371 Ca -0.01 -1.30 -0.24 0.00 -0.02 0.00 0.00 57.16 55.60 1xjq n GLU 371 Cb 0.35 -1.40 0.07 0.00 -0.02 0.00 0.00 31.44 30.44 1xjq n GLU 371 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1xjq s GLN 372 N -1.72 2.09 1.08 3.49 -0.21 -0.82 -5.08 119.66 118.48 1xjq s GLN 372 Ca 0.33 -0.70 -0.16 0.00 0.02 0.00 0.00 55.36 54.84 1xjq s GLN 372 Cb 0.18 -2.31 0.23 0.00 1.00 0.00 0.00 33.01 32.11 1xjq s GLN 372 CO 0.26 -1.18 1.15 0.20 -2.12 0.00 0.00 175.29 173.61 1xjq s GLY 373 N -4.57 1.61 0.00 3.09 0.00 -1.26 -4.95 107.32 101.25 1xjq s GLY 373 Ca 0.62 -0.83 0.29 0.00 0.00 0.00 0.00 44.72 44.80 1xjq s GLY 373 CO 0.43 -0.07 1.91 1.22 0.00 0.00 0.00 173.10 176.59 1xjq n ASP 374 N -4.32 0.26 -4.62 1.64 9.92 -1.12 -4.60 116.55 113.70 1xjq n ASP 374 Ca 0.11 -0.30 -0.30 0.00 -0.53 0.00 0.00 54.79 53.77 1xjq n ASP 374 Cb 0.59 -0.17 -0.09 0.00 -0.64 0.00 0.00 41.12 40.81 1xjq n ASP 374 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1xjq s TRP 375 N -2.59 2.84 0.14 1.24 0.52 -0.51 -0.32 118.94 120.26 1xjq s TRP 375 Ca 0.26 -0.10 0.08 0.00 0.02 0.00 0.00 56.10 56.36 1xjq s TRP 375 Cb 0.20 -1.50 -0.04 0.00 -1.15 0.00 0.00 33.47 30.98 1xjq s TRP 375 CO 0.49 0.43 -0.09 -0.51 0.02 0.00 0.00 176.95 177.30 1xjq s LEU 376 N -2.10 3.05 -0.17 2.99 1.43 0.23 -1.44 118.68 122.67 1xjq s LEU 376 Ca 0.22 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1xjq s LEU 376 Cb -0.11 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.34 1xjq s LEU 376 CO 0.14 0.14 -0.14 -0.63 0.23 0.00 0.00 176.35 176.10 1xjq s ILE 377 N -1.44 1.66 0.30 -0.59 1.01 0.19 -1.54 121.20 120.79 1xjq s ILE 377 Ca 0.23 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 60.16 1xjq s ILE 377 Cb -0.10 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 1xjq s ILE 377 CO 0.15 0.38 0.21 -0.83 0.00 0.00 0.00 174.94 174.85 1xjq s GLY 378 N 1.43 1.65 0.00 6.18 0.00 0.57 -3.95 107.32 113.21 1xjq s GLY 378 Ca 0.03 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.16 1xjq s GLY 378 CO -0.10 -1.57 0.00 0.61 0.00 0.00 0.00 173.10 172.04 1xjq n GLY 379 N -1.23 -2.04 3.66 0.20 0.00 -0.87 0.07 105.19 104.99 1xjq n GLY 379 Ca -0.05 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 1xjq n GLY 379 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xjq s ASP 380 N -0.91 6.67 -0.15 1.61 -0.00 -0.31 -3.06 116.67 120.52 1xjq s ASP 380 Ca 0.00 0.81 -0.05 0.00 -0.00 0.00 0.00 52.55 53.31 1xjq s ASP 380 Cb 0.00 -2.34 -0.03 0.00 -0.00 0.00 0.00 42.92 40.54 1xjq s ASP 380 CO 0.00 -0.26 0.01 -0.22 -0.00 0.00 0.00 175.17 174.70 1xjq s LEU 381 N 1.88 3.55 -0.29 1.23 2.96 0.03 0.11 118.68 128.15 1xjq s LEU 381 Ca 0.28 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 1xjq s LEU 381 Cb -0.16 -1.86 0.08 0.00 0.50 0.00 0.00 46.19 44.75 1xjq s LEU 381 CO 0.10 0.21 -0.00 -1.10 -1.32 0.00 0.00 176.35 174.24 1xjq s GLN 382 N 0.11 1.57 0.03 1.98 -0.21 -0.09 -4.78 119.66 118.27 1xjq s GLN 382 Ca 0.02 -1.42 -0.20 0.00 0.02 0.00 0.00 55.36 53.78 1xjq s GLN 382 Cb -0.13 -2.81 -0.06 0.00 1.00 0.00 0.00 33.01 31.02 1xjq s GLN 382 CO 0.02 -0.78 0.57 0.08 -2.12 0.00 0.00 175.29 173.06 1xjq s VAL 383 N 1.17 4.83 0.00 1.09 1.01 0.09 -0.39 120.40 128.20 1xjq s VAL 383 Ca 0.02 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.22 1xjq s VAL 383 Cb -0.19 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1xjq s VAL 383 CO -0.09 0.49 0.00 0.18 0.00 0.00 0.00 175.10 175.67 1xjq n LEU 384 N 2.23 0.00 -4.77 3.92 4.77 -0.05 -0.79 117.00 122.30 1xjq n LEU 384 Ca -0.09 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.49 1xjq n LEU 384 Cb 0.51 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1xjq n LEU 384 CO 0.42 0.00 1.01 -1.81 -1.33 0.00 0.00 177.39 175.68 1xjq s ASP 385 N -1.00 6.41 0.11 -1.43 1.11 -1.26 -4.62 116.67 115.99 1xjq s ASP 385 Ca 0.00 2.77 -0.33 0.00 0.18 0.00 0.00 52.55 55.17 1xjq s ASP 385 Cb 0.00 -2.65 -0.13 0.00 1.07 0.00 0.00 42.92 41.22 1xjq s ASP 385 CO 0.00 -0.79 1.71 -1.14 1.18 0.00 0.00 175.17 176.13 1xjq n ARG 386 N 0.36 2.38 -2.07 8.23 0.63 -1.26 -4.88 116.66 120.05 1xjq n ARG 386 Ca 0.02 0.86 -0.42 0.00 -0.92 0.00 0.00 57.85 57.39 1xjq n ARG 386 Cb 0.42 -2.68 -0.03 0.00 0.45 0.00 0.00 32.46 30.62 1xjq n ARG 386 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1xjq s VAL 387 N 1.94 3.16 -0.07 5.15 1.01 -1.26 -4.99 120.40 125.33 1xjq s VAL 387 Ca 0.82 0.75 -0.09 0.00 0.00 0.00 0.00 61.98 63.45 1xjq s VAL 387 Cb -0.62 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.31 1xjq s VAL 387 CO 0.40 0.03 0.24 -0.31 0.00 0.00 0.00 175.10 175.46 1xjq s TYR 388 N 1.74 -0.23 -0.15 5.22 1.51 -1.26 -5.08 117.35 119.10 1xjq s TYR 388 Ca 0.68 0.53 0.10 0.00 -1.01 0.00 0.00 57.07 57.37 1xjq s TYR 388 Cb -0.38 0.08 -0.13 0.00 -0.11 0.00 0.00 41.96 41.41 1xjq s TYR 388 CO 0.30 -0.18 0.27 0.91 -1.11 0.00 0.00 175.55 175.74 1xjq n TRP 389 N 2.58 0.00 -2.62 2.71 7.02 -1.26 -5.01 117.44 120.86 1xjq n TRP 389 Ca -0.15 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.22 1xjq n TRP 389 Cb 0.58 -0.15 0.02 0.00 -2.42 0.00 0.00 31.31 29.33 1xjq n TRP 389 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1xjq n ASN 390 N -1.64 -3.82 -0.00 -0.99 3.02 -1.26 -4.83 115.26 105.74 1xjq n ASN 390 Ca -0.01 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 1xjq n ASN 390 Cb 0.22 -2.73 0.00 0.00 -0.61 0.00 0.00 39.78 36.66 1xjq n ASN 390 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1xjq n ASP 391 N -0.36 1.61 0.00 6.41 3.85 -1.26 -4.98 116.55 121.82 1xjq n ASP 391 Ca -0.06 -1.60 0.00 0.00 -0.71 0.00 0.00 54.79 52.42 1xjq n ASP 391 Cb 0.56 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.33 1xjq n ASP 391 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xjq n GLY 392 N -0.30 0.67 0.19 6.12 0.00 -1.26 -4.88 105.19 105.73 1xjq n GLY 392 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1xjq n GLY 392 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xjq n LEU 393 N 0.00 1.90 0.32 0.99 4.77 -1.26 -4.73 117.00 118.99 1xjq n LEU 393 Ca 0.00 -1.57 0.20 0.00 -0.03 0.00 0.00 56.01 54.60 1xjq n LEU 393 Cb 0.00 -0.05 1.04 0.00 -2.33 0.00 0.00 43.42 42.08 1xjq n LEU 393 CO 0.00 0.46 1.16 0.44 -1.33 0.00 0.00 177.39 178.12 1xjq h ASP 394 N 0.73 0.00 0.83 -1.43 3.32 -1.97 -0.44 116.42 117.45 1xjq h ASP 394 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1xjq h ASP 394 Cb 0.40 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1xjq h ASP 394 CO 0.00 0.00 -0.29 0.06 -1.72 0.00 0.00 179.24 177.29 1xjq h GLN 395 N 0.00 0.00 -0.00 3.56 -0.00 -2.02 -2.33 115.11 114.31 1xjq h GLN 395 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1xjq h GLN 395 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.73 1xjq h GLN 395 CO -0.00 0.29 -0.19 0.66 -0.00 0.00 0.00 178.83 179.59 1xjq n TYR 396 N -3.50 0.00 -3.00 0.06 4.01 -0.18 -4.70 117.16 109.86 1xjq n TYR 396 Ca -0.00 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.30 1xjq n TYR 396 Cb 0.45 -0.32 -0.01 0.00 -0.31 0.00 0.00 39.34 39.16 1xjq n TYR 396 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1xjq s ARG 397 N -2.82 3.99 0.03 -0.72 0.52 -0.88 -0.82 118.95 118.24 1xjq s ARG 397 Ca 0.18 -2.48 -0.18 0.00 -0.52 0.00 0.00 55.73 52.72 1xjq s ARG 397 Cb 0.19 -4.96 -0.06 0.00 0.52 0.00 0.00 34.95 30.64 1xjq s ARG 397 CO 0.56 -1.70 0.53 -0.51 0.02 0.00 0.00 175.30 174.21 1xjq s LEU 398 N 1.45 4.48 0.75 2.53 1.43 -1.26 -5.00 118.68 123.05 1xjq s LEU 398 Ca 0.39 1.14 -0.12 0.00 -1.03 0.00 0.00 54.13 54.52 1xjq s LEU 398 Cb -0.04 -2.82 0.04 0.00 0.03 0.00 0.00 46.19 43.40 1xjq s LEU 398 CO -0.03 0.23 1.10 0.42 0.23 0.00 0.00 176.35 178.31 1xjq s THR 399 N -0.80 3.24 0.37 5.49 -4.23 -1.26 -4.83 115.64 113.61 1xjq s THR 399 Ca 0.28 0.40 0.09 0.00 -1.18 0.00 0.00 61.69 61.28 1xjq s THR 399 Cb -0.18 -3.31 0.32 0.00 1.34 0.00 0.00 72.50 70.67 1xjq s THR 399 CO 0.17 -0.52 1.90 -0.65 -0.54 0.00 0.00 174.62 174.97 1xjq h PRO 400 N -0.83 0.64 -0.18 3.99 0.11 -1.93 -1.03 132.00 132.77 1xjq h PRO 400 Ca -0.46 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1xjq h PRO 400 Cb 1.26 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xjq h PRO 400 CO 0.62 0.42 -0.10 1.15 -0.21 0.00 0.00 178.00 179.89 1xjq h THR 401 N 0.66 1.31 0.00 -1.15 2.02 -1.91 -1.18 112.91 112.66 1xjq h THR 401 Ca 0.41 -1.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.39 1xjq h THR 401 Cb 0.64 1.69 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1xjq h THR 401 CO -0.17 0.35 -0.11 -0.33 0.37 0.00 0.00 175.52 175.64 1xjq h GLU 402 N 0.08 0.00 -0.00 6.66 5.08 -1.85 -2.50 114.58 122.04 1xjq h GLU 402 Ca 0.04 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1xjq h GLU 402 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1xjq h GLU 402 CO 0.03 0.11 -0.18 -0.07 -1.00 0.00 0.00 179.01 177.90 1xjq h LEU 403 N 0.00 0.16 -0.83 1.33 3.38 -0.97 -0.81 115.31 117.57 1xjq h LEU 403 Ca -0.00 -0.77 0.15 0.00 0.09 0.00 0.00 57.88 57.35 1xjq h LEU 403 Cb 0.19 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.80 1xjq h LEU 403 CO 0.01 0.91 0.41 0.11 0.09 0.00 0.00 178.44 179.97 1xjq h LYS 404 N -0.57 0.56 -0.58 1.13 1.57 -1.10 -0.24 116.57 117.35 1xjq h LYS 404 Ca -0.02 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 1xjq h LYS 404 Cb 0.94 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1xjq h LYS 404 CO 0.04 0.37 -0.06 0.37 -0.57 0.00 0.00 179.45 179.59 1xjq h GLN 405 N 0.58 1.06 -0.72 3.15 5.75 -1.40 -1.98 115.11 121.54 1xjq h GLN 405 Ca 0.46 -0.37 -0.04 0.00 -0.15 0.00 0.00 58.65 58.55 1xjq h GLN 405 Cb 0.67 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.11 1xjq h GLN 405 CO -0.38 1.07 0.29 -0.22 -2.65 0.00 0.00 178.83 176.94 1xjq h LYS 406 N 0.95 1.09 0.00 1.69 1.63 -0.50 -0.42 116.57 121.00 1xjq h LYS 406 Ca 0.16 -0.20 -0.10 0.00 -0.85 0.00 0.00 60.65 59.66 1xjq h LYS 406 Cb 0.63 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 1xjq h LYS 406 CO 0.04 0.89 -0.49 0.74 -3.45 0.00 0.00 179.45 177.19 1xjq h PHE 407 N 1.04 0.00 0.08 1.91 0.04 -0.88 -1.71 116.94 117.43 1xjq h PHE 407 Ca 0.24 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.01 1xjq h PHE 407 Cb 0.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1xjq h PHE 407 CO 0.02 0.49 -0.04 -0.22 -0.60 0.00 0.00 178.31 177.96 1xjq h LYS 408 N 0.00 -0.11 -0.28 1.51 3.64 -0.95 0.39 116.57 120.78 1xjq h LYS 408 Ca -0.00 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1xjq h LYS 408 Cb 0.94 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1xjq h LYS 408 CO 0.06 0.38 0.31 -0.44 -2.27 0.00 0.00 179.45 177.50 1xjq h ASP 409 N -0.67 0.00 -0.41 4.20 3.45 -0.91 2.34 116.42 124.42 1xjq h ASP 409 Ca -0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.45 1xjq h ASP 409 Cb 0.54 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 1xjq h ASP 409 CO 0.02 0.00 0.00 1.15 -1.57 0.00 0.00 179.24 178.84 1xjq n MET 410 N -3.75 2.47 -4.00 3.56 0.00 -0.66 -4.96 117.12 109.78 1xjq n MET 410 Ca 0.04 -2.27 -0.32 0.00 0.00 0.00 0.00 57.70 55.15 1xjq n MET 410 Cb 0.45 -1.49 0.01 0.00 0.00 0.00 0.00 33.22 32.19 1xjq n MET 410 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1xjq n ASN 411 N 1.43 -4.33 -4.75 3.17 3.02 0.79 -4.94 115.26 109.65 1xjq n ASN 411 Ca 0.19 -0.84 -0.38 0.00 -0.03 0.00 0.00 54.58 53.52 1xjq n ASN 411 Cb 0.59 -3.58 0.04 0.00 -0.61 0.00 0.00 39.78 36.22 1xjq n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xjq s ALA 412 N -3.31 2.68 -0.14 5.41 0.00 0.13 -4.83 121.76 121.70 1xjq s ALA 412 Ca 0.67 1.22 0.03 0.00 0.00 0.00 0.00 51.96 53.88 1xjq s ALA 412 Cb -0.34 -3.53 0.07 0.00 0.00 0.00 0.00 23.12 19.31 1xjq s ALA 412 CO 0.86 -1.34 1.05 -0.40 0.00 0.00 0.00 175.76 175.93 1xjq n ASP 413 N -1.30 2.17 -3.64 0.00 3.85 -0.86 -4.89 116.55 111.89 1xjq n ASP 413 Ca 0.12 -2.08 -0.09 0.00 -0.71 0.00 0.00 54.79 52.03 1xjq n ASP 413 Cb 0.47 -0.07 -0.07 0.00 -1.35 0.00 0.00 41.12 40.10 1xjq n ASP 413 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1xjq s ALA 414 N -1.14 -1.97 -0.17 2.12 0.00 -1.25 -4.92 121.76 114.43 1xjq s ALA 414 Ca 0.06 2.08 0.01 0.00 0.00 0.00 0.00 51.96 54.11 1xjq s ALA 414 Cb 0.04 -1.43 0.01 0.00 0.00 0.00 0.00 23.12 21.74 1xjq s ALA 414 CO 0.02 -0.31 -0.18 0.08 0.00 0.00 0.00 175.76 175.38 1xjq s VAL 415 N 0.74 2.30 -0.21 0.00 1.01 -1.26 -0.76 120.40 122.22 1xjq s VAL 415 Ca -0.02 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 1xjq s VAL 415 Cb -0.05 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1xjq s VAL 415 CO -0.09 0.53 0.06 -0.94 0.00 0.00 0.00 175.10 174.66 1xjq s SER 416 N 1.13 5.31 -0.12 3.32 1.04 -0.08 0.32 113.70 124.62 1xjq s SER 416 Ca 0.01 -0.08 -0.04 0.00 0.48 0.00 0.00 55.95 56.32 1xjq s SER 416 Cb -0.14 -1.93 -0.04 0.00 0.10 0.00 0.00 66.02 64.02 1xjq s SER 416 CO -0.07 0.08 0.05 0.00 0.98 0.00 0.00 173.24 174.27 1xjq s ALA 417 N 0.96 3.48 -0.34 5.32 0.00 0.38 0.25 121.76 131.81 1xjq s ALA 417 Ca 0.03 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.28 1xjq s ALA 417 Cb -0.14 -1.71 0.10 0.00 0.00 0.00 0.00 23.12 21.37 1xjq s ALA 417 CO 0.03 0.51 0.06 0.12 0.00 0.00 0.00 175.76 176.48 1xjq s PHE 418 N -0.67 3.72 0.37 0.00 5.36 -0.11 -2.16 117.98 124.50 1xjq s PHE 418 Ca 0.11 -2.90 -0.27 0.00 -0.96 0.00 0.00 56.93 52.92 1xjq s PHE 418 Cb -0.12 -2.90 -0.09 0.00 -0.34 0.00 0.00 43.02 39.57 1xjq s PHE 418 CO 0.02 -0.95 1.21 -1.14 -1.46 0.00 0.00 175.22 172.90 1xjq s GLN 419 N 0.94 4.18 0.16 10.12 2.00 -1.26 -1.00 119.66 134.81 1xjq s GLN 419 Ca 0.09 1.96 -0.24 0.00 -2.00 0.00 0.00 55.36 55.17 1xjq s GLN 419 Cb -0.19 -2.84 0.06 0.00 0.80 0.00 0.00 33.01 30.84 1xjq s GLN 419 CO -0.07 -0.25 0.76 -0.48 -0.50 0.00 0.00 175.29 174.75 1xjq s LEU 420 N -2.20 -0.37 0.00 3.68 0.05 -1.25 -4.95 118.68 113.64 1xjq s LEU 420 Ca 0.54 -0.26 0.00 0.00 0.05 0.00 0.00 54.13 54.46 1xjq s LEU 420 Cb -0.34 2.45 0.00 0.00 -2.05 0.00 0.00 46.19 46.25 1xjq s LEU 420 CO 0.43 -1.01 0.05 -2.11 -0.55 0.00 0.00 176.35 173.17 1xjq n ARG 421 N -0.40 0.11 -4.52 1.48 1.85 -1.26 -1.38 116.66 112.55 1xjq n ARG 421 Ca -0.10 -0.05 -0.26 0.00 -1.00 0.00 0.00 57.85 56.44 1xjq n ARG 421 Cb 0.62 -0.45 -0.10 0.00 -1.05 0.00 0.00 32.46 31.48 1xjq n ARG 421 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1xjq s ASN 422 N -0.03 3.84 0.50 2.89 0.02 -1.26 -4.77 114.94 116.14 1xjq s ASN 422 Ca 0.00 -1.19 -0.23 0.00 -1.02 0.00 0.00 52.86 50.42 1xjq s ASN 422 Cb 0.00 -0.39 -0.07 0.00 0.02 0.00 0.00 41.25 40.81 1xjq s ASN 422 CO 0.00 -0.26 1.25 -2.65 0.02 0.00 0.00 177.10 175.46 1xjq n PRO 423 N -0.86 1.64 -2.82 -0.60 -0.02 -1.26 -4.91 135.00 126.17 1xjq n PRO 423 Ca -0.05 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 1xjq n PRO 423 Cb 0.64 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 1xjq n PRO 423 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xjq s VAL 424 N -1.29 4.71 0.56 -1.45 1.01 -1.26 -5.03 120.40 117.65 1xjq s VAL 424 Ca 0.68 1.51 0.09 0.00 0.00 0.00 0.00 61.98 64.26 1xjq s VAL 424 Cb -0.46 -4.24 0.08 0.00 0.00 0.00 0.00 36.38 31.76 1xjq s VAL 424 CO 0.52 -0.27 0.73 -1.38 0.00 0.00 0.00 175.10 174.70 1xjq s HIS 425 N 3.16 1.51 -0.95 5.22 -3.43 -1.26 -4.79 115.29 114.74 1xjq s HIS 425 Ca 0.38 -0.72 0.28 0.00 -0.80 0.00 0.00 55.06 54.19 1xjq s HIS 425 Cb -0.14 -2.18 1.05 0.00 -1.43 0.00 0.00 32.58 29.89 1xjq s HIS 425 CO 0.11 -1.02 1.82 0.09 -2.00 0.00 0.00 174.74 173.74 1xjq n ASN 426 N -2.16 0.20 0.08 7.38 3.02 -0.24 -1.66 115.26 121.90 1xjq n ASN 426 Ca 0.13 0.40 -0.13 0.00 -0.03 0.00 0.00 54.58 54.95 1xjq n ASN 426 Cb 0.62 -0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 39.28 1xjq n ASN 426 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1xjq h GLY 427 N 4.92 -0.18 0.32 7.41 0.00 -1.90 0.25 103.07 113.89 1xjq h GLY 427 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.46 1xjq h GLY 427 CO 0.00 -0.07 -0.09 0.45 0.00 0.00 0.00 176.54 176.83 1xjq h HIS 428 N -0.39 -0.20 -0.86 5.60 3.86 -1.82 -1.80 115.15 119.54 1xjq h HIS 428 Ca -0.02 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1xjq h HIS 428 Cb 0.31 0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.88 1xjq h HIS 428 CO -0.00 -0.15 0.57 0.00 0.86 0.00 0.00 177.93 179.20 1xjq h ALA 429 N 1.31 1.10 -0.82 2.45 0.00 -1.29 0.43 119.26 122.44 1xjq h ALA 429 Ca 0.16 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.19 1xjq h ALA 429 Cb 0.26 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1xjq h ALA 429 CO -0.35 0.47 0.54 1.25 0.00 0.00 0.00 179.25 181.16 1xjq h LEU 430 N 1.14 0.41 -0.20 0.00 5.85 0.38 0.01 115.31 122.91 1xjq h LEU 430 Ca 0.32 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.93 1xjq h LEU 430 Cb -0.09 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.89 1xjq h LEU 430 CO -0.08 0.20 -0.44 -0.07 -0.34 0.00 0.00 178.44 177.70 1xjq h LEU 431 N 0.43 0.73 -0.17 2.25 4.07 -0.61 -0.80 115.31 121.21 1xjq h LEU 431 Ca 0.41 -0.56 -0.01 0.00 0.08 0.00 0.00 57.88 57.80 1xjq h LEU 431 Cb 0.96 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.48 1xjq h LEU 431 CO -0.14 1.16 0.06 0.24 -1.08 0.00 0.00 178.44 178.67 1xjq h MET 432 N 0.34 0.27 -0.34 1.13 2.86 -0.88 0.36 114.93 118.67 1xjq h MET 432 Ca 0.00 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1xjq h MET 432 Cb 1.05 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.65 1xjq h MET 432 CO 0.10 0.38 0.17 1.96 1.06 0.00 0.00 176.91 180.57 1xjq h GLN 433 N 0.11 0.48 -0.23 1.72 4.20 -0.98 -0.61 115.11 119.80 1xjq h GLN 433 Ca 0.06 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.63 1xjq h GLN 433 Cb 0.22 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1xjq h GLN 433 CO -0.00 0.43 -0.14 -0.44 -0.67 0.00 0.00 178.83 178.01 1xjq h ASP 434 N 0.41 0.37 -0.30 1.46 3.45 -1.11 -1.17 116.42 119.54 1xjq h ASP 434 Ca 0.12 -0.09 -0.02 0.00 0.43 0.00 0.00 57.03 57.47 1xjq h ASP 434 Cb 0.11 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1xjq h ASP 434 CO -0.02 0.54 0.11 0.74 -1.57 0.00 0.00 179.24 179.05 1xjq h THR 435 N 0.36 1.19 -0.61 0.35 2.02 -0.30 -0.64 112.91 115.28 1xjq h THR 435 Ca 0.07 -0.59 0.05 0.00 0.77 0.00 0.00 66.41 66.71 1xjq h THR 435 Cb 0.47 1.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 1xjq h THR 435 CO 0.03 0.20 0.33 -0.74 0.37 0.00 0.00 175.52 175.71 1xjq h HIS 436 N 0.34 0.61 -0.36 3.16 -0.00 -0.78 -0.54 115.15 117.58 1xjq h HIS 436 Ca 0.10 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.56 1xjq h HIS 436 Cb 0.20 -0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 27.37 1xjq h HIS 436 CO -0.00 0.30 -0.04 0.87 -0.00 0.00 0.00 177.93 179.06 1xjq h LYS 437 N 0.63 0.05 -0.58 5.26 1.57 -0.96 -2.29 116.57 120.25 1xjq h LYS 437 Ca 0.27 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.08 1xjq h LYS 437 Cb 0.15 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1xjq h LYS 437 CO -0.16 0.03 0.34 1.96 -0.57 0.00 0.00 179.45 181.05 1xjq h GLN 438 N 0.05 0.65 -0.29 3.15 4.20 -0.29 -1.78 115.11 120.79 1xjq h GLN 438 Ca 0.17 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 1xjq h GLN 438 Cb 0.25 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1xjq h GLN 438 CO -0.33 0.43 0.02 -0.07 -0.67 0.00 0.00 178.83 178.21 1xjq h LEU 439 N 0.66 0.49 -0.29 1.46 3.38 -0.67 -1.95 115.31 118.40 1xjq h LEU 439 Ca 0.24 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1xjq h LEU 439 Cb 0.07 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 1xjq h LEU 439 CO -0.12 0.66 -0.13 -0.07 0.09 0.00 0.00 178.44 178.87 1xjq h LEU 440 N 0.31 -0.44 -1.52 1.67 3.38 -1.32 -1.01 115.31 116.38 1xjq h LEU 440 Ca 0.09 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.22 1xjq h LEU 440 Cb 0.40 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1xjq h LEU 440 CO 0.01 -0.16 0.39 -0.33 0.09 0.00 0.00 178.44 178.44 1xjq h GLU 441 N -0.08 0.58 -0.00 1.13 5.08 -1.08 -2.07 114.58 118.14 1xjq h GLU 441 Ca 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1xjq h GLU 441 Cb 0.31 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1xjq h GLU 441 CO -0.35 0.38 -0.02 0.54 -1.00 0.00 0.00 179.01 178.56 1xjq n ARG 442 N -4.47 0.47 0.00 2.33 1.74 -0.75 -4.89 116.66 111.08 1xjq n ARG 442 Ca 0.08 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1xjq n ARG 442 Cb 0.21 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1xjq n ARG 442 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xjq n GLY 443 N 1.28 1.20 3.78 -0.13 0.00 -0.78 -4.93 105.19 105.62 1xjq n GLY 443 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1xjq n GLY 443 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xjq s TYR 444 N -1.93 3.61 -0.03 1.61 2.02 -0.43 -4.87 117.35 117.33 1xjq s TYR 444 Ca 0.00 1.75 0.05 0.00 -0.37 0.00 0.00 57.07 58.51 1xjq s TYR 444 Cb 0.00 -2.97 -0.08 0.00 -0.40 0.00 0.00 41.96 38.51 1xjq s TYR 444 CO 0.00 0.03 0.07 0.54 -1.57 0.00 0.00 175.55 174.63 1xjq n ARG 445 N 0.45 1.56 -3.11 -0.62 5.12 -1.26 -4.00 116.66 114.81 1xjq n ARG 445 Ca 0.02 -0.03 -0.21 0.00 -1.93 0.00 0.00 57.85 55.70 1xjq n ARG 445 Cb 0.50 -1.13 -0.03 0.00 -1.16 0.00 0.00 32.46 30.63 1xjq n ARG 445 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1xjq n ARG 446 N -1.93 1.76 -2.26 5.56 1.74 -1.26 -5.03 116.66 115.24 1xjq n ARG 446 Ca -0.05 -3.90 -0.41 0.00 -0.77 0.00 0.00 57.85 52.72 1xjq n ARG 446 Cb 0.39 -1.89 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 1xjq n ARG 446 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1xjq s PRO 447 N -2.78 4.43 0.02 5.56 0.04 -1.26 -2.03 135.00 138.98 1xjq s PRO 447 Ca 0.43 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.56 1xjq s PRO 447 Cb 0.32 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 1xjq s PRO 447 CO -0.10 -0.16 -0.22 0.08 0.04 0.00 0.00 177.00 176.64 1xjq s VAL 448 N -0.22 1.72 -0.27 -0.36 1.01 0.06 -4.95 120.40 117.39 1xjq s VAL 448 Ca 0.54 -1.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 1xjq s VAL 448 Cb -0.36 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1xjq s VAL 448 CO 0.40 0.33 0.20 -0.22 0.00 0.00 0.00 175.10 175.81 1xjq s LEU 449 N -0.92 4.05 -0.53 3.92 2.96 -0.03 -0.91 118.68 127.22 1xjq s LEU 449 Ca 0.08 0.05 -0.19 0.00 -0.22 0.00 0.00 54.13 53.85 1xjq s LEU 449 Cb -0.09 -2.14 0.06 0.00 0.50 0.00 0.00 46.19 44.52 1xjq s LEU 449 CO 0.01 -0.03 0.67 -0.22 -1.32 0.00 0.00 176.35 175.46 1xjq s LEU 450 N 1.59 4.95 -0.33 -0.68 2.96 0.14 -0.56 118.68 126.75 1xjq s LEU 450 Ca 0.08 -0.95 -0.21 0.00 -0.22 0.00 0.00 54.13 52.82 1xjq s LEU 450 Cb -0.15 -2.45 -0.00 0.00 0.50 0.00 0.00 46.19 44.09 1xjq s LEU 450 CO 0.09 -0.96 0.69 -0.22 -1.32 0.00 0.00 176.35 174.63 1xjq s LEU 451 N 2.76 4.16 -0.50 -0.68 2.96 0.39 -0.93 118.68 126.84 1xjq s LEU 451 Ca 0.16 0.38 0.07 0.00 -0.22 0.00 0.00 54.13 54.51 1xjq s LEU 451 Cb -0.19 -2.89 0.23 0.00 0.50 0.00 0.00 46.19 43.84 1xjq s LEU 451 CO 0.11 -0.58 0.57 1.57 -1.32 0.00 0.00 176.35 176.71 1xjq n HIS 452 N 6.07 1.19 -1.82 5.38 -0.00 -0.17 -1.90 115.22 123.98 1xjq n HIS 452 Ca 0.00 -3.79 -0.39 0.00 0.46 0.00 0.00 57.72 54.00 1xjq n HIS 452 Cb 0.49 -0.36 0.02 0.00 -0.12 0.00 0.00 29.99 30.02 1xjq n HIS 452 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1xjq s PRO 453 N -1.47 3.49 0.31 1.57 0.04 -1.15 -3.85 135.00 133.95 1xjq s PRO 453 Ca 0.35 2.32 -0.26 0.00 0.04 0.00 0.00 61.00 63.45 1xjq s PRO 453 Cb 0.13 -2.50 -0.10 0.00 0.04 0.00 0.00 34.50 32.07 1xjq s PRO 453 CO -0.10 -0.94 0.94 -1.17 0.04 0.00 0.00 177.00 175.78 1xjq s LEU 454 N -3.02 4.38 0.00 -3.56 0.20 -0.48 -0.53 118.68 115.67 1xjq s LEU 454 Ca 0.65 1.84 0.00 0.00 0.69 0.00 0.00 54.13 57.31 1xjq s LEU 454 Cb -0.42 -3.96 0.00 0.00 -0.43 0.00 0.00 46.19 41.39 1xjq s LEU 454 CO 0.52 -0.04 0.13 0.61 -0.29 0.00 0.00 176.35 177.29 1xjq n GLY 455 N 0.68 0.34 0.80 7.98 0.00 0.54 -4.86 105.19 110.67 1xjq n GLY 455 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 1xjq n GLY 455 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xjq n GLY 456 N 0.07 -0.77 3.59 -0.02 0.00 -0.90 -4.94 105.19 102.22 1xjq n GLY 456 Ca 0.00 -1.74 -0.47 0.00 0.00 0.00 0.00 46.02 43.81 1xjq n GLY 456 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1xjq n TRP 457 N -2.22 1.36 -4.29 1.61 -0.00 -1.26 -4.65 117.44 107.98 1xjq n TRP 457 Ca 0.03 0.66 -0.16 0.00 -0.00 0.00 0.00 57.50 58.04 1xjq n TRP 457 Cb 0.12 -2.29 -0.10 0.00 -0.00 0.00 0.00 31.31 29.04 1xjq n TRP 457 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 1xjq s THR 458 N -0.45 1.28 0.70 5.87 -4.23 -1.26 -0.65 115.64 116.89 1xjq s THR 458 Ca 0.68 -2.09 -0.11 0.00 -1.18 0.00 0.00 61.69 58.99 1xjq s THR 458 Cb -0.78 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 71.05 1xjq s THR 458 CO 0.54 -0.61 1.07 -1.59 -0.54 0.00 0.00 174.62 173.49 1xjq s LYS 459 N -3.75 2.92 0.31 3.99 -2.85 -1.26 -4.95 119.74 114.15 1xjq s LYS 459 Ca 0.21 0.75 0.06 0.00 -1.00 0.00 0.00 55.97 55.99 1xjq s LYS 459 Cb 0.03 -2.00 0.73 0.00 -2.06 0.00 0.00 37.83 34.52 1xjq s LYS 459 CO 0.04 -1.06 1.80 -0.44 0.10 0.00 0.00 175.35 175.79 1xjq h ASP 460 N -0.68 0.78 -0.61 0.03 5.19 -2.01 -1.71 116.42 117.41 1xjq h ASP 460 Ca -0.45 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 1xjq h ASP 460 Cb 1.22 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1xjq h ASP 460 CO 0.60 0.32 0.00 -0.90 -3.12 0.00 0.00 179.24 176.14 1xjq n ASP 461 N -4.70 3.40 -4.83 6.45 3.85 -1.26 -4.92 116.55 114.54 1xjq n ASP 461 Ca 0.22 -1.99 -0.32 0.00 -0.71 0.00 0.00 54.79 51.99 1xjq n ASP 461 Cb 0.53 -0.41 0.01 0.00 -1.35 0.00 0.00 41.12 39.90 1xjq n ASP 461 CO 0.00 0.00 0.00 -1.81 -1.01 0.00 0.00 177.20 174.38 1xjq s ASP 462 N -1.05 5.94 0.03 -1.12 1.11 -0.64 -4.98 116.67 115.95 1xjq s ASP 462 Ca 0.42 1.65 -0.30 0.00 0.18 0.00 0.00 52.55 54.50 1xjq s ASP 462 Cb 0.22 -2.51 -0.08 0.00 1.07 0.00 0.00 42.92 41.63 1xjq s ASP 462 CO 0.29 -1.06 1.68 -0.69 1.18 0.00 0.00 175.17 176.57 1xjq s VAL 463 N -2.76 3.20 0.50 -1.27 1.01 -1.26 -4.96 120.40 114.86 1xjq s VAL 463 Ca 0.60 0.52 -0.22 0.00 0.00 0.00 0.00 61.98 62.87 1xjq s VAL 463 Cb -0.13 -3.33 -0.08 0.00 0.00 0.00 0.00 36.38 32.84 1xjq s VAL 463 CO 0.43 -0.02 1.14 -2.65 0.00 0.00 0.00 175.10 174.00 1xjq n PRO 464 N 6.18 1.45 -0.31 2.72 -0.02 -1.26 -4.72 135.00 139.04 1xjq n PRO 464 Ca 0.17 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.30 1xjq n PRO 464 Cb 0.41 -2.28 0.27 0.00 -0.02 0.00 0.00 33.50 31.89 1xjq n PRO 464 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xjq h LEU 465 N 1.38 -0.28 -0.35 2.45 5.85 -1.92 -0.76 115.31 121.68 1xjq h LEU 465 Ca -0.48 0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 1xjq h LEU 465 Cb 1.33 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 42.73 1xjq h LEU 465 CO 0.56 -0.26 0.02 -0.03 -0.34 0.00 0.00 178.44 178.39 1xjq h MET 466 N 0.09 0.60 -0.32 1.25 4.05 -1.99 0.19 114.93 118.80 1xjq h MET 466 Ca 0.56 -0.18 -0.06 0.00 -0.28 0.00 0.00 59.70 59.73 1xjq h MET 466 Cb 1.13 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.85 1xjq h MET 466 CO -0.78 0.71 -0.05 -1.49 0.23 0.00 0.00 176.91 175.52 1xjq h TRP 467 N 0.42 0.54 -0.35 1.39 4.06 -1.72 -0.16 115.95 120.13 1xjq h TRP 467 Ca 0.10 -0.07 -0.13 0.00 2.06 0.00 0.00 58.89 60.85 1xjq h TRP 467 Cb 0.42 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 1xjq h TRP 467 CO 0.03 0.56 -0.30 0.00 -3.56 0.00 0.00 178.44 175.18 1xjq h ARG 468 N 0.48 0.82 -0.75 0.49 3.08 0.20 0.59 114.38 119.29 1xjq h ARG 468 Ca 0.10 -0.41 -0.05 0.00 0.07 0.00 0.00 59.98 59.69 1xjq h ARG 468 Cb 0.40 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1xjq h ARG 468 CO 0.02 1.05 0.27 0.52 -1.07 0.00 0.00 179.97 180.76 1xjq h MET 469 N 0.60 1.13 -0.94 0.04 2.86 -0.28 0.49 114.93 118.83 1xjq h MET 469 Ca 0.06 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1xjq h MET 469 Cb 0.87 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 32.31 1xjq h MET 469 CO 0.08 0.94 0.57 0.87 1.06 0.00 0.00 176.91 180.42 1xjq h LYS 470 N 1.10 1.27 -0.38 1.72 1.57 -0.77 -0.69 116.57 120.38 1xjq h LYS 470 Ca 0.25 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 1xjq h LYS 470 Cb 0.25 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1xjq h LYS 470 CO -0.02 0.88 -0.10 0.37 -0.57 0.00 0.00 179.45 180.01 1xjq h GLN 471 N 1.29 0.67 0.15 3.15 -0.00 -0.50 -1.34 115.11 118.52 1xjq h GLN 471 Ca 0.34 -0.21 -0.30 0.00 -0.00 0.00 0.00 58.65 58.48 1xjq h GLN 471 Cb -0.06 -0.06 0.03 0.00 0.00 0.00 0.00 27.48 27.38 1xjq h GLN 471 CO -0.06 0.76 -1.28 0.45 0.00 0.00 0.00 178.83 178.69 1xjq h HIS 472 N 0.61 0.88 -1.00 3.99 -0.00 -0.35 -1.75 115.15 117.53 1xjq h HIS 472 Ca 0.11 -0.58 0.21 0.00 -0.00 0.00 0.00 60.37 60.10 1xjq h HIS 472 Cb 0.54 -0.06 -0.10 0.00 -0.00 0.00 0.00 27.41 27.79 1xjq h HIS 472 CO 0.02 1.44 0.62 0.00 -0.00 0.00 0.00 177.93 180.01 1xjq h ALA 473 N 0.35 1.84 -0.31 2.45 0.00 -1.00 -1.10 119.26 121.49 1xjq h ALA 473 Ca -0.19 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1xjq h ALA 473 Cb 1.97 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 1xjq h ALA 473 CO 0.24 -0.21 -0.30 0.00 0.00 0.00 0.00 179.25 178.98 1xjq h ALA 474 N 1.65 0.91 -0.45 0.00 0.00 -0.87 0.43 119.26 120.93 1xjq h ALA 474 Ca 0.57 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1xjq h ALA 474 Cb 1.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1xjq h ALA 474 CO -0.35 0.62 0.23 0.28 0.00 0.00 0.00 179.25 180.03 1xjq h VAL 475 N 0.55 1.18 -0.21 0.00 2.07 -0.39 -1.84 116.25 117.60 1xjq h VAL 475 Ca 0.07 -0.49 -0.11 0.00 0.82 0.00 0.00 66.70 66.99 1xjq h VAL 475 Cb 0.78 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1xjq h VAL 475 CO 0.06 0.19 -0.30 -0.07 0.02 0.00 0.00 177.57 177.48 1xjq h LEU 476 N 0.59 0.63 -1.87 2.57 3.38 -0.74 -2.93 115.31 116.94 1xjq h LEU 476 Ca 0.16 -0.51 0.34 0.00 0.09 0.00 0.00 57.88 57.95 1xjq h LEU 476 Cb 0.10 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 1xjq h LEU 476 CO -0.02 1.02 0.83 -0.08 0.09 0.00 0.00 178.44 180.28 1xjq h GLU 477 N 0.26 0.07 -0.01 1.13 4.81 0.09 -0.08 114.58 120.85 1xjq h GLU 477 Ca 0.02 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1xjq h GLU 477 Cb 0.88 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1xjq h GLU 477 CO 0.07 0.05 -0.19 0.39 -0.73 0.00 0.00 179.01 178.60 1xjq n GLU 478 N -4.27 1.05 -0.85 1.92 -0.58 -0.71 -4.94 120.64 112.26 1xjq n GLU 478 Ca 0.26 -0.62 0.00 0.00 -0.42 0.00 0.00 57.16 56.38 1xjq n GLU 478 Cb 1.20 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.58 1xjq n GLU 478 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xjq n GLY 479 N 1.30 0.81 0.27 0.62 0.00 -0.04 -4.90 105.19 103.24 1xjq n GLY 479 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 1xjq n GLY 479 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xjq h VAL 480 N 0.00 1.15 -3.87 1.61 2.07 -1.75 -3.38 116.25 112.07 1xjq h VAL 480 Ca 0.00 -0.55 -0.49 0.00 0.82 0.00 0.00 66.70 66.48 1xjq h VAL 480 Cb 0.00 0.94 -0.21 0.00 -1.52 0.00 0.00 31.29 30.49 1xjq h VAL 480 CO 0.00 0.19 -0.80 -0.76 0.02 0.00 0.00 177.57 176.22 1xjq s LEU 481 N -9.06 2.31 -0.46 2.57 1.43 -1.25 -4.97 118.68 109.24 1xjq s LEU 481 Ca -0.07 -0.68 -0.23 0.00 -1.03 0.00 0.00 54.13 52.12 1xjq s LEU 481 Cb 0.16 -0.71 0.03 0.00 0.03 0.00 0.00 46.19 45.70 1xjq s LEU 481 CO 0.73 -0.02 0.80 0.21 0.23 0.00 0.00 176.35 178.31 1xjq s ASN 482 N -1.93 6.40 0.60 2.29 3.84 -1.26 -4.48 114.94 120.40 1xjq s ASN 482 Ca 0.04 -0.16 0.29 0.00 0.21 0.00 0.00 52.86 53.24 1xjq s ASN 482 Cb -0.09 -2.39 1.57 0.00 -0.55 0.00 0.00 41.25 39.79 1xjq s ASN 482 CO 0.03 -0.95 1.98 1.55 -2.79 0.00 0.00 177.10 176.92 1xjq h PRO 483 N 9.02 0.00 0.00 0.43 0.13 -1.89 -2.05 132.00 137.65 1xjq h PRO 483 Ca -0.25 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.78 1xjq h PRO 483 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1xjq h PRO 483 CO 0.98 0.00 -0.50 0.93 -0.23 0.00 0.00 178.00 179.18 1xjq h GLU 484 N 0.00 0.00 -0.36 0.86 5.08 -1.99 -3.20 114.58 114.97 1xjq h GLU 484 Ca 0.14 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1xjq h GLU 484 Cb 0.85 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.05 1xjq h GLU 484 CO -0.00 0.50 0.03 0.25 -1.00 0.00 0.00 179.01 178.78 1xjq n THR 485 N -3.27 2.47 -4.36 1.13 -2.24 -0.78 -4.99 114.28 102.24 1xjq n THR 485 Ca 0.02 -2.08 -0.21 0.00 -2.27 0.00 0.00 64.05 59.51 1xjq n THR 485 Cb 0.71 -0.29 -0.16 0.00 -2.10 0.00 0.00 70.33 68.48 1xjq n THR 485 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xjq s THR 486 N -2.97 0.77 -0.14 4.28 2.01 -1.12 -0.85 115.64 117.62 1xjq s THR 486 Ca 0.45 -0.30 -0.06 0.00 0.31 0.00 0.00 61.69 62.09 1xjq s THR 486 Cb 0.38 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 1xjq s THR 486 CO 0.07 0.26 0.06 -0.69 -0.69 0.00 0.00 174.62 173.64 1xjq s VAL 487 N 0.56 4.83 -0.22 3.82 1.01 0.27 -4.86 120.40 125.81 1xjq s VAL 487 Ca -0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1xjq s VAL 487 Cb -0.12 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 1xjq s VAL 487 CO 0.01 0.54 -0.06 -0.69 0.00 0.00 0.00 175.10 174.91 1xjq s VAL 488 N -0.36 3.17 0.05 2.92 1.01 -1.26 -0.47 120.40 125.47 1xjq s VAL 488 Ca 0.09 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1xjq s VAL 488 Cb -0.12 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 1xjq s VAL 488 CO 0.02 0.41 0.09 0.00 0.00 0.00 0.00 175.10 175.61 1xjq s ALA 489 N 1.44 0.02 -0.27 5.51 0.00 -0.80 -4.84 121.76 122.82 1xjq s ALA 489 Ca 0.05 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 1xjq s ALA 489 Cb -0.14 0.30 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 1xjq s ALA 489 CO -0.05 -0.37 0.19 0.42 0.00 0.00 0.00 175.76 175.95 1xjq s ILE 490 N -3.13 5.32 -0.20 0.00 1.01 -0.00 -2.93 121.20 121.26 1xjq s ILE 490 Ca -0.00 0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.53 1xjq s ILE 490 Cb 0.02 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 1xjq s ILE 490 CO -0.07 0.27 1.29 0.12 0.00 0.00 0.00 174.94 176.55 1xjq s PHE 491 N 1.62 2.76 -2.00 3.97 5.36 0.31 -4.42 117.98 125.58 1xjq s PHE 491 Ca 0.07 0.94 0.16 0.00 -0.96 0.00 0.00 56.93 57.14 1xjq s PHE 491 Cb -0.15 -3.64 0.93 0.00 -0.34 0.00 0.00 43.02 39.81 1xjq s PHE 491 CO 0.10 -1.77 1.56 -0.35 -1.46 0.00 0.00 175.22 173.29 1xjq n PRO 492 N 6.85 0.94 -2.12 10.12 -0.04 -1.26 -0.34 135.00 149.15 1xjq n PRO 492 Ca 0.14 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.21 1xjq n PRO 492 Cb 0.45 -1.26 -0.01 0.00 -0.04 0.00 0.00 33.50 32.65 1xjq n PRO 492 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xjq s SER 493 N -1.54 6.35 0.61 3.54 0.15 -1.26 -3.80 113.70 117.75 1xjq s SER 493 Ca 0.23 2.56 -0.19 0.00 0.70 0.00 0.00 55.95 59.26 1xjq s SER 493 Cb 0.11 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.75 1xjq s SER 493 CO 0.18 -0.81 1.11 -2.65 1.20 0.00 0.00 173.24 172.27 1xjq n PRO 494 N 0.10 1.03 -3.42 5.44 -0.02 -1.26 -2.11 135.00 134.75 1xjq n PRO 494 Ca 0.04 0.40 -0.37 0.00 -2.02 0.00 0.00 63.50 61.55 1xjq n PRO 494 Cb 0.44 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 1xjq n PRO 494 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1xjq s MET 495 N -2.98 4.29 -0.03 -0.52 1.75 0.17 -4.86 119.30 117.13 1xjq s MET 495 Ca 0.78 0.27 0.20 0.00 -1.25 0.00 0.00 55.69 55.69 1xjq s MET 495 Cb -0.40 -3.44 -0.31 0.00 2.84 0.00 0.00 34.83 33.51 1xjq s MET 495 CO 0.45 0.17 0.46 -1.33 -0.65 0.00 0.00 175.02 174.11 1xjq n MET 496 N 3.73 0.61 -3.55 4.11 2.81 -1.26 -4.77 117.12 118.80 1xjq n MET 496 Ca -0.09 -0.18 -0.25 0.00 -1.81 0.00 0.00 57.70 55.37 1xjq n MET 496 Cb 0.52 -1.48 0.05 0.00 -0.71 0.00 0.00 33.22 31.60 1xjq n MET 496 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1xjq n TYR 497 N -2.17 -2.09 -1.33 2.03 4.01 -1.26 -4.61 117.16 111.74 1xjq n TYR 497 Ca -0.03 0.64 0.08 0.00 -0.16 0.00 0.00 57.90 58.43 1xjq n TYR 497 Cb 0.52 -3.81 0.16 0.00 -0.31 0.00 0.00 39.34 35.90 1xjq n TYR 497 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xjq n ALA 498 N -3.90 2.80 -0.43 -0.72 0.00 -1.13 -4.82 120.51 112.31 1xjq n ALA 498 Ca -0.12 -2.84 0.00 0.00 0.00 0.00 0.00 53.44 50.48 1xjq n ALA 498 Cb 0.61 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1xjq n ALA 498 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xjq n GLY 499 N -1.24 3.04 0.28 0.00 0.00 -0.27 -1.84 105.19 105.15 1xjq n GLY 499 Ca 0.17 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1xjq n GLY 499 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xjq h PRO 500 N 0.00 0.00 -0.02 1.61 0.11 -1.90 0.19 132.00 131.99 1xjq h PRO 500 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1xjq h PRO 500 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1xjq h PRO 500 CO 0.00 0.03 -0.01 1.15 -0.21 0.00 0.00 178.00 178.96 1xjq h THR 501 N 0.00 1.37 0.00 -1.15 2.02 -1.65 -3.32 112.91 110.18 1xjq h THR 501 Ca -0.00 -1.13 -0.10 0.00 0.77 0.00 0.00 66.41 65.96 1xjq h THR 501 Cb 0.07 2.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1xjq h THR 501 CO 0.00 0.30 -0.46 -0.08 0.37 0.00 0.00 175.52 175.65 1xjq h GLU 502 N -0.42 0.00 0.00 6.66 4.81 -0.70 -2.97 114.58 121.96 1xjq h GLU 502 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1xjq h GLU 502 Cb 0.49 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1xjq h GLU 502 CO 0.00 0.46 -0.11 -0.24 -0.73 0.00 0.00 179.01 178.39 1xjq h VAL 503 N 0.00 0.97 -0.30 0.32 3.04 -0.80 0.51 116.25 119.99 1xjq h VAL 503 Ca -0.00 -0.39 -0.11 0.00 -1.01 0.00 0.00 66.70 65.19 1xjq h VAL 503 Cb 0.90 1.22 -0.01 0.00 -2.01 0.00 0.00 31.29 31.39 1xjq h VAL 503 CO 0.06 0.11 -0.25 1.56 -1.01 0.00 0.00 177.57 178.03 1xjq h GLN 504 N 0.00 0.59 -0.18 4.17 4.20 -1.63 -0.69 115.11 121.56 1xjq h GLN 504 Ca -0.00 -0.23 -0.11 0.00 0.06 0.00 0.00 58.65 58.36 1xjq h GLN 504 Cb 0.21 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1xjq h GLN 504 CO 0.01 0.79 -0.32 2.35 -0.67 0.00 0.00 178.83 180.99 1xjq h TRP 505 N 0.51 0.68 -0.44 2.96 2.91 -1.10 0.12 115.95 121.59 1xjq h TRP 505 Ca 0.07 -0.24 0.08 0.00 1.13 0.00 0.00 58.89 59.94 1xjq h TRP 505 Cb 0.71 -0.13 -0.07 0.00 -0.51 0.00 0.00 29.16 29.16 1xjq h TRP 505 CO 0.03 0.96 -0.01 0.45 -1.03 0.00 0.00 178.44 178.84 1xjq h HIS 506 N 0.20 -0.05 -0.17 2.65 3.86 -0.87 -1.21 115.15 119.55 1xjq h HIS 506 Ca 0.01 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.20 1xjq h HIS 506 Cb 0.91 0.09 -0.00 0.00 1.06 0.00 0.00 27.41 29.47 1xjq h HIS 506 CO 0.09 -0.11 -0.12 0.00 0.86 0.00 0.00 177.93 178.66 1xjq h ARG 508 N 0.05 0.52 -0.90 0.00 -0.00 -0.62 -1.09 114.38 112.33 1xjq h ARG 508 Ca 0.03 -0.11 0.01 0.00 -0.00 0.00 0.00 59.98 59.91 1xjq h ARG 508 Cb 0.62 -0.08 -0.04 0.00 -0.00 0.00 0.00 29.97 30.47 1xjq h ARG 508 CO 0.03 0.54 0.59 0.00 -0.00 0.00 0.00 179.97 181.13 1xjq h ALA 509 N 1.51 1.33 -0.00 0.08 0.00 -1.27 -2.37 119.26 118.55 1xjq h ALA 509 Ca 0.11 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 1xjq h ALA 509 Cb 0.31 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1xjq h ALA 509 CO 0.01 0.61 -0.82 0.00 0.00 0.00 0.00 179.25 179.05 1xjq h ARG 510 N 1.23 0.10 -0.74 0.00 -0.00 -1.28 -2.69 114.38 111.00 1xjq h ARG 510 Ca 0.33 -0.10 0.00 0.00 -0.50 0.00 0.00 59.98 59.71 1xjq h ARG 510 Cb -0.12 0.03 -0.04 0.00 0.00 0.00 0.00 29.97 29.84 1xjq h ARG 510 CO -0.07 0.86 0.48 1.98 0.00 0.00 0.00 179.97 183.22 1xjq h MET 511 N 0.05 0.98 0.00 0.04 1.85 -0.83 -1.27 114.93 115.75 1xjq h MET 511 Ca -0.02 -0.07 -0.08 0.00 -0.61 0.00 0.00 59.70 58.92 1xjq h MET 511 Cb 1.44 -0.22 -0.01 0.00 0.43 0.00 0.00 31.60 33.24 1xjq h MET 511 CO 0.12 0.66 -0.37 0.28 -0.40 0.00 0.00 176.91 177.20 1xjq h VAL 512 N 1.00 1.26 -0.00 -5.77 2.07 -1.26 -1.31 116.25 112.24 1xjq h VAL 512 Ca 0.27 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1xjq h VAL 512 Cb -0.09 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1xjq h VAL 512 CO -0.06 0.36 -0.01 0.00 0.02 0.00 0.00 177.57 177.88 1xjq n ALA 513 N -2.47 2.63 0.00 1.67 0.00 -0.83 -4.77 120.51 116.74 1xjq n ALA 513 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1xjq n ALA 513 Cb 0.40 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1xjq n ALA 513 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xjq n GLY 514 N 1.11 1.13 3.77 0.00 0.00 -0.49 -4.24 105.19 106.46 1xjq n GLY 514 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1xjq n GLY 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xjq s ALA 515 N -2.00 3.16 -0.07 4.61 0.00 -0.54 -4.69 121.76 122.22 1xjq s ALA 515 Ca 0.00 1.24 0.15 0.00 0.00 0.00 0.00 51.96 53.35 1xjq s ALA 515 Cb 0.00 -3.50 -0.23 0.00 0.00 0.00 0.00 23.12 19.39 1xjq s ALA 515 CO 0.00 -0.92 0.25 0.09 0.00 0.00 0.00 175.76 175.17 1xjq n ASN 516 N -0.16 1.25 -3.84 0.00 4.13 0.15 -4.62 115.26 112.18 1xjq n ASN 516 Ca 0.05 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.19 1xjq n ASN 516 Cb 0.44 1.43 -0.13 0.00 -1.54 0.00 0.00 39.78 39.99 1xjq n ASN 516 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1xjq s PHE 517 N -2.86 -0.11 -0.18 3.10 0.40 -0.15 -0.87 117.98 117.32 1xjq s PHE 517 Ca -0.07 0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.54 1xjq s PHE 517 Cb 0.08 0.04 0.04 0.00 0.51 0.00 0.00 43.02 43.69 1xjq s PHE 517 CO 0.66 -0.07 -0.09 -0.47 0.70 0.00 0.00 175.22 175.95 1xjq s TYR 518 N 0.00 2.14 0.02 0.36 5.04 -0.24 -0.47 117.35 124.19 1xjq s TYR 518 Ca -0.01 -1.36 -0.25 0.00 -2.44 0.00 0.00 57.07 53.01 1xjq s TYR 518 Cb -0.01 -1.52 -0.05 0.00 0.35 0.00 0.00 41.96 40.73 1xjq s TYR 518 CO 0.00 -0.69 0.78 0.42 -1.34 0.00 0.00 175.55 174.72 1xjq s ILE 519 N 1.49 4.81 -0.01 3.14 1.01 -0.92 -0.75 121.20 129.97 1xjq s ILE 519 Ca 0.00 1.64 0.00 0.00 0.00 0.00 0.00 60.65 62.30 1xjq s ILE 519 Cb -0.15 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.20 1xjq s ILE 519 CO -0.08 0.32 0.00 0.54 0.00 0.00 0.00 174.94 175.72 1xjq s VAL 520 N 0.24 0.05 0.00 2.92 0.11 -0.84 -4.66 120.40 118.23 1xjq s VAL 520 Ca 0.40 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 1xjq s VAL 520 Cb -0.20 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.55 1xjq s VAL 520 CO 0.23 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.66 1xjq n GLY 521 N 3.50 4.12 3.73 6.54 0.00 -1.26 -0.45 105.19 121.37 1xjq n GLY 521 Ca -0.18 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 1xjq n GLY 521 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xjq s ARG 522 N 3.80 4.59 -1.35 1.61 3.52 -1.25 -4.25 118.95 125.62 1xjq s ARG 522 Ca 0.00 1.64 -0.01 0.00 -0.13 0.00 0.00 55.73 57.23 1xjq s ARG 522 Cb 0.00 -3.32 0.01 0.00 -1.56 0.00 0.00 34.95 30.08 1xjq s ARG 522 CO 0.00 0.05 0.66 -3.47 -0.81 0.00 0.00 175.30 171.73 1xjq n ASP 523 N 2.80 -1.29 -4.76 -2.12 4.64 0.05 -4.85 116.55 111.02 1xjq n ASP 523 Ca 0.04 -0.86 -0.41 0.00 -1.38 0.00 0.00 54.79 52.18 1xjq n ASP 523 Cb 0.47 -3.80 -0.02 0.00 -1.04 0.00 0.00 41.12 36.74 1xjq n ASP 523 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1xjq s PRO 524 N -6.17 4.23 -2.15 -0.67 0.04 -1.26 -1.86 135.00 127.15 1xjq s PRO 524 Ca 0.07 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1xjq s PRO 524 Cb -0.03 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1xjq s PRO 524 CO 0.83 -0.41 0.00 0.00 0.04 0.00 0.00 177.00 177.46 1xjq n ALA 525 N 1.35 -0.33 -2.78 8.56 0.00 -1.26 -4.14 120.51 121.91 1xjq n ALA 525 Ca 0.03 0.32 -0.18 0.00 0.00 0.00 0.00 53.44 53.62 1xjq n ALA 525 Cb 0.40 -2.03 0.07 0.00 0.00 0.00 0.00 19.45 17.89 1xjq n ALA 525 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xjq n GLY 526 N -0.41 1.33 3.55 0.00 0.00 -0.78 -1.11 105.19 107.76 1xjq n GLY 526 Ca -0.21 -2.11 -0.08 0.00 0.00 0.00 0.00 46.02 43.63 1xjq n GLY 526 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1xjq s MET 527 N -4.20 0.61 0.43 1.61 0.23 -1.26 -4.96 119.30 111.76 1xjq s MET 527 Ca 0.48 -0.15 -0.25 0.00 -1.03 0.00 0.00 55.69 54.73 1xjq s MET 527 Cb -0.03 0.28 -0.08 0.00 -1.53 0.00 0.00 34.83 33.47 1xjq s MET 527 CO 0.31 -0.25 1.33 -2.14 -2.03 0.00 0.00 175.02 172.24 1xjq s PRO 528 N -2.45 3.84 0.13 3.16 0.02 -1.26 -1.30 135.00 137.14 1xjq s PRO 528 Ca 0.05 2.21 -0.31 0.00 0.02 0.00 0.00 61.00 62.97 1xjq s PRO 528 Cb -0.01 -2.69 -0.10 0.00 0.02 0.00 0.00 34.50 31.72 1xjq s PRO 528 CO -0.06 -0.62 1.67 -1.58 -0.33 0.00 0.00 177.00 176.09 1xjq s HIS 529 N -1.26 2.64 0.45 6.54 2.46 0.13 -4.66 115.29 121.59 1xjq s HIS 529 Ca 0.59 0.35 0.12 0.00 0.47 0.00 0.00 55.06 56.59 1xjq s HIS 529 Cb -0.39 -4.02 1.01 0.00 -0.13 0.00 0.00 32.58 29.04 1xjq s HIS 529 CO 0.50 -4.01 2.05 -1.35 -2.47 0.00 0.00 174.74 169.46 1xjq h PRO 530 N 7.66 0.19 0.05 2.88 0.11 -1.89 -0.03 132.00 140.97 1xjq h PRO 530 Ca -0.43 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xjq h PRO 530 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xjq h PRO 530 CO 0.93 0.21 -0.02 0.93 -0.21 0.00 0.00 178.00 179.84 1xjq h GLU 531 N 0.19 -0.06 0.00 1.05 4.39 -1.96 -3.38 114.58 114.80 1xjq h GLU 531 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1xjq h GLU 531 Cb 0.12 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1xjq h GLU 531 CO 0.00 0.44 -1.67 0.25 -1.16 0.00 0.00 179.01 176.87 1xjq n THR 532 N -4.87 0.00 -0.65 1.13 -2.24 -1.19 -4.96 114.28 101.50 1xjq n THR 532 Ca -0.09 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1xjq n THR 532 Cb 0.27 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1xjq n THR 532 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xjq n GLY 533 N 1.40 0.26 3.82 3.38 0.00 -0.03 -4.98 105.19 109.04 1xjq n GLY 533 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1xjq n GLY 533 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xjq s LYS 534 N -0.77 2.56 0.09 1.61 1.02 -1.26 -4.53 119.74 118.46 1xjq s LYS 534 Ca 0.00 0.72 -0.35 0.00 0.02 0.00 0.00 55.97 56.36 1xjq s LYS 534 Cb 0.00 -1.97 -0.14 0.00 -0.52 0.00 0.00 37.83 35.20 1xjq s LYS 534 CO 0.00 -1.31 1.58 -0.25 -0.92 0.00 0.00 175.35 174.45 1xjq n ASP 535 N -3.24 2.82 -0.35 2.83 8.00 -1.26 0.20 116.55 125.56 1xjq n ASP 535 Ca 0.07 1.07 0.03 0.00 0.71 0.00 0.00 54.79 56.67 1xjq n ASP 535 Cb 0.55 -1.36 0.19 0.00 -0.02 0.00 0.00 41.12 40.49 1xjq n ASP 535 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1xjq h LEU 536 N 6.15 1.00 -9.01 0.64 5.85 -1.46 -3.42 115.31 115.07 1xjq h LEU 536 Ca -0.46 0.01 -0.67 0.00 0.84 0.00 0.00 57.88 57.60 1xjq h LEU 536 Cb 1.28 -0.21 -0.20 0.00 0.37 0.00 0.00 40.66 41.90 1xjq h LEU 536 CO 0.88 0.64 -0.84 -0.31 -0.34 0.00 0.00 178.44 178.48 1xjq s TYR 537 N -6.00 2.35 0.12 1.25 1.51 -1.26 -4.97 117.35 110.36 1xjq s TYR 537 Ca -0.12 -0.35 -0.31 0.00 -1.01 0.00 0.00 57.07 55.28 1xjq s TYR 537 Cb 0.20 -1.22 -0.09 0.00 -0.11 0.00 0.00 41.96 40.74 1xjq s TYR 537 CO 0.81 0.42 1.55 -2.00 -1.11 0.00 0.00 175.55 175.22 1xjq s GLU 538 N -2.37 4.23 0.15 -0.62 -6.30 -1.26 -4.90 118.70 107.63 1xjq s GLU 538 Ca 0.18 2.28 0.17 0.00 -2.50 0.00 0.00 54.97 55.10 1xjq s GLU 538 Cb -0.09 -3.30 0.75 0.00 0.00 0.00 0.00 34.13 31.48 1xjq s GLU 538 CO 0.09 -0.61 1.51 -0.35 0.02 0.00 0.00 175.26 175.92 1xjq n PRO 539 N 4.44 0.09 0.00 4.30 -0.04 -1.26 -1.53 135.00 141.01 1xjq n PRO 539 Ca 0.14 0.42 0.11 0.00 -0.04 0.00 0.00 63.50 64.13 1xjq n PRO 539 Cb 0.40 -1.71 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 1xjq n PRO 539 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xjq n SER 540 N -1.90 0.76 -0.17 3.54 3.41 -1.26 -0.77 113.62 117.23 1xjq n SER 540 Ca 0.02 -0.65 -0.09 0.00 -0.26 0.00 0.00 58.87 57.89 1xjq n SER 540 Cb 0.14 0.88 0.01 0.00 -0.26 0.00 0.00 64.21 64.97 1xjq n SER 540 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1xjq h HIS 541 N 0.00 0.78 -0.71 7.33 3.86 -1.67 -2.42 115.15 122.33 1xjq h HIS 541 Ca 0.00 -0.08 0.11 0.00 -1.16 0.00 0.00 60.37 59.24 1xjq h HIS 541 Cb 0.57 -0.23 -0.12 0.00 1.06 0.00 0.00 27.41 28.69 1xjq h HIS 541 CO 0.00 0.68 -0.41 0.78 0.86 0.00 0.00 177.93 179.84 1xjq h GLY 542 N 0.66 -0.27 0.96 2.45 0.00 -1.78 0.14 103.07 105.23 1xjq h GLY 542 Ca 0.16 0.53 -0.03 0.00 0.00 0.00 0.00 47.33 47.99 1xjq h GLY 542 CO -0.01 -0.17 0.16 0.00 0.00 0.00 0.00 176.54 176.52 1xjq h ALA 543 N 0.89 0.59 -0.28 3.60 0.00 -1.77 -1.03 119.26 121.26 1xjq h ALA 543 Ca 0.23 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1xjq h ALA 543 Cb 0.56 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1xjq h ALA 543 CO -0.77 0.22 -0.14 0.87 0.00 0.00 0.00 179.25 179.43 1xjq h LYS 544 N 0.59 0.59 -0.27 0.00 1.57 -0.89 -1.22 116.57 116.93 1xjq h LYS 544 Ca 0.15 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1xjq h LYS 544 Cb 0.24 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1xjq h LYS 544 CO -0.01 0.83 0.02 0.28 -0.57 0.00 0.00 179.45 180.00 1xjq h VAL 545 N 0.33 1.24 -0.49 0.50 2.07 -0.73 -3.17 116.25 116.00 1xjq h VAL 545 Ca 0.06 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1xjq h VAL 545 Cb 0.66 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1xjq h VAL 545 CO 0.04 0.27 0.27 0.25 0.02 0.00 0.00 177.57 178.43 1xjq h LEU 546 N 0.27 0.61 -2.06 2.57 5.85 -1.04 0.59 115.31 122.09 1xjq h LEU 546 Ca 0.08 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1xjq h LEU 546 Cb 0.38 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1xjq h LEU 546 CO 0.01 0.52 0.35 0.71 -0.34 0.00 0.00 178.44 179.69 1xjq h THR 547 N 0.65 0.28 -0.04 1.05 1.35 -1.26 -2.69 112.91 112.24 1xjq h THR 547 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.03 1xjq h THR 547 Cb 0.04 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 1xjq h THR 547 CO -0.03 0.00 0.00 1.15 -0.25 0.00 0.00 175.52 176.39 1xjq n MET 548 N -3.48 1.23 -2.26 4.72 0.00 -0.69 -5.01 117.12 111.63 1xjq n MET 548 Ca 0.03 -1.16 -0.40 0.00 0.00 0.00 0.00 57.70 56.18 1xjq n MET 548 Cb 0.48 -1.05 -0.03 0.00 0.00 0.00 0.00 33.22 32.62 1xjq n MET 548 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xjq s ALA 549 N -0.62 3.35 0.67 3.17 0.00 0.12 -4.99 121.76 123.45 1xjq s ALA 549 Ca 0.04 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 1xjq s ALA 549 Cb 0.02 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1xjq s ALA 549 CO 0.03 -0.49 1.05 -1.25 0.00 0.00 0.00 175.76 175.10 1xjq s PRO 550 N -1.90 3.19 0.00 0.00 0.04 -1.26 -4.30 135.00 130.77 1xjq s PRO 550 Ca 0.51 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1xjq s PRO 550 Cb -0.35 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1xjq s PRO 550 CO 0.45 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 177.02 1xjq n GLY 551 N -2.39 0.38 2.46 0.56 0.00 -1.26 -4.21 105.19 100.73 1xjq n GLY 551 Ca 0.07 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.82 1xjq n GLY 551 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xjq n LEU 552 N 0.00 2.06 0.10 0.99 4.77 -1.26 -1.41 117.00 122.25 1xjq n LEU 552 Ca 0.00 -5.02 -0.02 0.00 -0.03 0.00 0.00 56.01 50.94 1xjq n LEU 552 Cb 0.06 0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 1xjq n LEU 552 CO 0.00 2.21 0.31 0.40 -1.33 0.00 0.00 177.39 178.98 1xjq h ILE 553 N 1.85 1.24 -0.58 -0.08 1.08 -1.92 -3.26 117.51 115.85 1xjq h ILE 553 Ca 0.09 -2.77 0.00 0.00 -0.39 0.00 0.00 64.86 61.80 1xjq h ILE 553 Cb 0.88 2.61 0.00 0.00 -3.07 0.00 0.00 36.82 37.24 1xjq h ILE 553 CO 0.60 0.71 0.00 0.35 -0.69 0.00 0.00 178.15 179.12 1xjq n THR 554 N -3.28 2.20 -4.09 -0.27 -2.24 -1.26 -4.83 114.28 100.50 1xjq n THR 554 Ca 0.01 -1.23 -0.10 0.00 -2.27 0.00 0.00 64.05 60.47 1xjq n THR 554 Cb 0.83 -0.11 -0.09 0.00 -2.10 0.00 0.00 70.33 68.86 1xjq n THR 554 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1xjq s LEU 555 N -2.21 1.58 -0.08 3.22 0.05 -1.23 -4.70 118.68 115.31 1xjq s LEU 555 Ca 0.50 -1.11 0.00 0.00 0.05 0.00 0.00 54.13 53.58 1xjq s LEU 555 Cb 0.36 0.54 -0.03 0.00 -2.05 0.00 0.00 46.19 45.01 1xjq s LEU 555 CO 0.19 -0.77 -0.06 -0.70 -0.55 0.00 0.00 176.35 174.46 1xjq s GLU 556 N -4.02 2.83 -0.05 1.48 2.12 -0.05 -4.97 118.70 116.04 1xjq s GLU 556 Ca 0.22 -0.54 -0.25 0.00 0.36 0.00 0.00 54.97 54.75 1xjq s GLU 556 Cb 0.06 -2.62 -0.03 0.00 0.26 0.00 0.00 34.13 31.80 1xjq s GLU 556 CO 0.01 0.63 0.77 0.42 -0.54 0.00 0.00 175.26 176.55 1xjq s ILE 557 N -0.71 5.00 -0.59 -3.70 -1.09 -1.26 -1.08 121.20 117.77 1xjq s ILE 557 Ca 0.11 1.61 -0.02 0.00 -2.23 0.00 0.00 60.65 60.11 1xjq s ILE 557 Cb -0.11 -4.11 0.15 0.00 -1.58 0.00 0.00 42.46 36.81 1xjq s ILE 557 CO 0.02 0.22 0.40 -0.69 -1.23 0.00 0.00 174.94 173.65 1xjq s VAL 558 N 0.90 3.59 0.21 2.92 1.01 0.07 -4.91 120.40 124.17 1xjq s VAL 558 Ca 0.41 -2.86 -0.08 0.00 0.00 0.00 0.00 61.98 59.45 1xjq s VAL 558 Cb -0.18 -3.36 -0.07 0.00 0.00 0.00 0.00 36.38 32.77 1xjq s VAL 558 CO 0.20 -0.85 0.49 -2.16 0.00 0.00 0.00 175.10 172.79 1xjq s PRO 559 N 0.08 3.74 0.02 2.72 0.04 -1.26 -1.98 135.00 138.37 1xjq s PRO 559 Ca 0.16 0.15 0.03 0.00 0.04 0.00 0.00 61.00 61.38 1xjq s PRO 559 Cb -0.21 -2.71 -0.02 0.00 0.04 0.00 0.00 34.50 31.61 1xjq s PRO 559 CO -0.03 0.36 -0.10 -0.06 0.04 0.00 0.00 177.00 177.21 1xjq s PHE 560 N -1.78 0.85 0.83 0.56 0.40 0.41 -4.93 117.98 114.31 1xjq s PHE 560 Ca 0.45 -0.31 -0.11 0.00 -0.60 0.00 0.00 56.93 56.36 1xjq s PHE 560 Cb -0.11 -0.52 0.09 0.00 0.51 0.00 0.00 43.02 42.99 1xjq s PHE 560 CO 0.23 -0.01 1.09 1.03 0.70 0.00 0.00 175.22 178.26 1xjq s ARG 561 N -0.91 1.81 0.26 0.44 0.52 -1.26 -3.94 118.95 115.88 1xjq s ARG 561 Ca -0.01 0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 55.62 1xjq s ARG 561 Cb -0.07 -1.88 -0.10 0.00 0.52 0.00 0.00 34.95 33.43 1xjq s ARG 561 CO 0.00 -1.83 1.35 0.54 0.02 0.00 0.00 175.30 175.39 1xjq s VAL 562 N -3.07 2.87 0.16 3.52 0.11 -1.26 -4.75 120.40 117.97 1xjq s VAL 562 Ca 0.62 0.77 0.04 0.00 -2.93 0.00 0.00 61.98 60.48 1xjq s VAL 562 Cb -0.16 -3.49 -0.04 0.00 -1.53 0.00 0.00 36.38 31.17 1xjq s VAL 562 CO 0.55 0.14 0.15 0.00 -3.33 0.00 0.00 175.10 172.62 1xjq s ALA 563 N -0.35 3.63 0.09 1.54 0.00 -1.26 -1.79 121.76 123.61 1xjq s ALA 563 Ca 0.55 -1.17 -0.26 0.00 0.00 0.00 0.00 51.96 51.08 1xjq s ALA 563 Cb -0.39 -1.43 0.08 0.00 0.00 0.00 0.00 23.12 21.38 1xjq s ALA 563 CO 0.45 0.53 0.84 0.00 0.00 0.00 0.00 175.76 177.57 1xjq s ALA 564 N -1.72 -1.69 -0.18 0.00 0.00 0.19 -4.87 121.76 113.49 1xjq s ALA 564 Ca 0.31 0.59 -0.29 0.00 0.00 0.00 0.00 51.96 52.57 1xjq s ALA 564 Cb -0.10 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 1xjq s ALA 564 CO 0.24 -0.82 1.29 -0.47 0.00 0.00 0.00 175.76 176.00 1xjq s TYR 565 N -3.34 2.78 -0.48 0.00 5.04 -0.69 -1.38 117.35 119.28 1xjq s TYR 565 Ca 0.06 0.95 -0.23 0.00 -2.44 0.00 0.00 57.07 55.42 1xjq s TYR 565 Cb -0.01 -3.58 0.03 0.00 0.35 0.00 0.00 41.96 38.75 1xjq s TYR 565 CO -0.06 -1.79 0.79 1.21 -1.34 0.00 0.00 175.55 174.35 1xjq s ASN 566 N 2.18 6.36 0.19 4.32 3.84 0.95 -0.58 114.94 132.20 1xjq s ASN 566 Ca 0.56 -0.28 -0.12 0.00 0.21 0.00 0.00 52.86 53.23 1xjq s ASN 566 Cb -0.21 -2.38 0.16 0.00 -0.55 0.00 0.00 41.25 38.27 1xjq s ASN 566 CO 0.16 -0.97 1.81 0.11 -2.79 0.00 0.00 177.10 175.43 1xjq h LYS 567 N 9.04 0.63 0.09 0.43 1.57 -1.27 0.34 116.57 127.40 1xjq h LYS 567 Ca -0.25 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1xjq h LYS 567 Cb 1.08 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1xjq h LYS 567 CO 0.98 0.42 -0.04 -0.22 -0.57 0.00 0.00 179.45 180.01 1xjq h LYS 568 N 0.65 -0.12 0.00 3.15 3.64 -1.93 -3.18 116.57 118.78 1xjq h LYS 568 Ca 0.25 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1xjq h LYS 568 Cb 0.09 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1xjq h LYS 568 CO -0.14 0.05 -0.24 1.63 -2.27 0.00 0.00 179.45 178.48 1xjq n LYS 569 N -5.08 0.19 -3.10 1.90 5.02 -1.20 -4.95 118.16 110.94 1xjq n LYS 569 Ca -0.08 0.11 -0.20 0.00 -2.02 0.00 0.00 58.31 56.12 1xjq n LYS 569 Cb 0.13 -1.67 0.04 0.00 -0.02 0.00 0.00 35.03 33.51 1xjq n LYS 569 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xjq n LYS 570 N -1.97 -5.15 -3.87 1.97 4.01 0.12 -5.00 118.16 108.27 1xjq n LYS 570 Ca 0.05 0.76 -0.09 0.00 -0.51 0.00 0.00 58.31 58.52 1xjq n LYS 570 Cb 0.40 -5.40 -0.04 0.00 -0.51 0.00 0.00 35.03 29.48 1xjq n LYS 570 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 1xjq s ARG 571 N -5.74 1.46 0.16 1.97 1.70 -1.06 -4.50 118.95 112.94 1xjq s ARG 571 Ca 0.35 -1.05 -0.30 0.00 -0.47 0.00 0.00 55.73 54.26 1xjq s ARG 571 Cb -0.15 0.50 -0.07 0.00 -0.57 0.00 0.00 34.95 34.65 1xjq s ARG 571 CO 0.43 -0.61 1.13 -1.64 -1.08 0.00 0.00 175.30 173.52 1xjq s MET 572 N -3.94 4.55 0.15 3.89 -1.94 -1.26 -0.03 119.30 120.72 1xjq s MET 572 Ca 0.15 1.75 -0.12 0.00 -1.71 0.00 0.00 55.69 55.76 1xjq s MET 572 Cb -0.01 -3.28 0.01 0.00 2.01 0.00 0.00 34.83 33.55 1xjq s MET 572 CO 0.03 -0.00 0.34 0.34 -0.01 0.00 0.00 175.02 175.71 1xjq s ASP 573 N 0.12 -0.05 0.21 3.03 3.68 -0.48 -4.86 116.67 118.32 1xjq s ASP 573 Ca 0.51 -0.68 -0.31 0.00 2.13 0.00 0.00 52.55 54.20 1xjq s ASP 573 Cb -0.30 0.46 -0.10 0.00 -1.45 0.00 0.00 42.92 41.53 1xjq s ASP 573 CO 0.34 -0.90 1.51 -0.31 0.13 0.00 0.00 175.17 175.94 1xjq s TYR 574 N -3.91 3.02 0.60 -5.34 1.51 -1.26 -0.64 117.35 111.34 1xjq s TYR 574 Ca 0.12 0.83 -0.18 0.00 -1.01 0.00 0.00 57.07 56.82 1xjq s TYR 574 Cb 0.02 -3.88 -0.03 0.00 -0.11 0.00 0.00 41.96 37.96 1xjq s TYR 574 CO -0.04 -3.07 1.18 -0.47 -1.11 0.00 0.00 175.55 172.04 1xjq s TYR 575 N 0.53 2.45 -0.10 2.71 5.04 -0.74 -4.87 117.35 122.38 1xjq s TYR 575 Ca 0.65 1.53 -0.01 0.00 -2.44 0.00 0.00 57.07 56.79 1xjq s TYR 575 Cb -0.43 -3.40 0.03 0.00 0.35 0.00 0.00 41.96 38.51 1xjq s TYR 575 CO 0.38 -2.05 -0.01 0.34 -1.34 0.00 0.00 175.55 172.87 1xjq s ASP 576 N -1.78 1.93 0.27 4.32 3.68 -1.26 -4.93 116.67 118.89 1xjq s ASP 576 Ca 0.75 -0.25 -0.00 0.00 2.13 0.00 0.00 52.55 55.17 1xjq s ASP 576 Cb -0.28 -0.54 0.55 0.00 -1.45 0.00 0.00 42.92 41.21 1xjq s ASP 576 CO 0.34 -0.20 1.76 -1.28 0.13 0.00 0.00 175.17 175.92 1xjq h SER 577 N 8.29 0.54 -3.42 -0.34 0.87 -1.98 -3.13 113.55 114.37 1xjq h SER 577 Ca -0.21 0.09 -0.60 0.00 -1.23 0.00 0.00 61.79 59.84 1xjq h SER 577 Cb 1.12 0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 62.99 1xjq h SER 577 CO 0.30 0.22 0.36 -1.61 -0.53 0.00 0.00 176.83 175.57 1xjq s GLU 578 N -5.96 4.01 0.00 2.24 8.01 -1.26 -2.46 118.70 123.27 1xjq s GLU 578 Ca -0.12 0.61 0.00 0.00 0.01 0.00 0.00 54.97 55.47 1xjq s GLU 578 Cb 0.22 -3.71 0.00 0.00 -4.31 0.00 0.00 34.13 26.33 1xjq s GLU 578 CO 0.78 -0.62 0.00 0.72 0.01 0.00 0.00 175.26 176.15 1xjq n HIS 579 N 6.10 0.00 -0.23 1.61 8.25 -1.24 -5.02 115.22 124.69 1xjq n HIS 579 Ca 0.03 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.58 1xjq n HIS 579 Cb 0.48 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.77 1xjq n HIS 579 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1xjq n HIS 580 N -0.72 0.39 1.16 4.41 -0.00 -1.03 0.37 115.22 119.81 1xjq n HIS 580 Ca 0.00 0.80 0.13 0.00 0.46 0.00 0.00 57.72 59.11 1xjq n HIS 580 Cb 0.00 -0.98 0.45 0.00 -0.12 0.00 0.00 29.99 29.34 1xjq n HIS 580 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1xjq n GLU 581 N -4.90 0.34 0.00 1.57 4.71 -1.26 -2.96 120.64 118.14 1xjq n GLU 581 Ca 0.15 -0.15 0.09 0.00 -0.01 0.00 0.00 57.16 57.24 1xjq n GLU 581 Cb 0.48 -1.50 0.51 0.00 -1.01 0.00 0.00 31.44 29.93 1xjq n GLU 581 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1xjq n ASP 582 N -1.20 0.00 -4.20 1.62 10.43 0.16 -4.84 116.55 118.52 1xjq n ASP 582 Ca 0.10 -0.20 -0.33 0.00 2.57 0.00 0.00 54.79 56.92 1xjq n ASP 582 Cb 0.32 -0.19 -0.15 0.00 1.84 0.00 0.00 41.12 42.94 1xjq n ASP 582 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1xjq s PHE 583 N -2.37 2.80 -0.18 1.24 0.08 -1.15 -0.83 117.98 117.57 1xjq s PHE 583 Ca 0.22 -1.32 -0.06 0.00 0.12 0.00 0.00 56.93 55.89 1xjq s PHE 583 Cb 0.13 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 1xjq s PHE 583 CO 0.27 -0.65 0.02 -2.00 -0.10 0.00 0.00 175.22 172.76 1xjq s GLU 584 N 1.14 3.81 -0.37 0.44 2.12 0.25 -4.95 118.70 121.15 1xjq s GLU 584 Ca 0.01 -0.44 -0.13 0.00 0.36 0.00 0.00 54.97 54.77 1xjq s GLU 584 Cb -0.14 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.16 1xjq s GLU 584 CO -0.06 0.21 0.25 -0.06 -0.54 0.00 0.00 175.26 175.06 1xjq s PHE 585 N 0.50 3.23 -0.35 5.30 0.40 -1.26 -1.71 117.98 124.09 1xjq s PHE 585 Ca 0.00 -0.43 -0.08 0.00 -0.60 0.00 0.00 56.93 55.82 1xjq s PHE 585 Cb -0.13 -2.51 0.03 0.00 0.51 0.00 0.00 43.02 40.92 1xjq s PHE 585 CO 0.02 -0.47 0.14 0.42 0.70 0.00 0.00 175.22 176.03 1xjq s ILE 586 N 1.69 4.08 0.80 0.64 1.01 -1.26 -5.05 121.20 123.10 1xjq s ILE 586 Ca 0.05 -1.03 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 1xjq s ILE 586 Cb -0.18 -3.29 0.15 0.00 0.01 0.00 0.00 42.46 39.14 1xjq s ILE 586 CO 0.10 -0.20 1.10 -0.94 0.00 0.00 0.00 174.94 175.00 1xjq s SER 587 N 1.46 3.97 0.20 3.58 1.04 -1.26 -4.87 113.70 117.82 1xjq s SER 587 Ca -0.00 -0.15 -0.04 0.00 0.48 0.00 0.00 55.95 56.23 1xjq s SER 587 Cb -0.19 -0.13 0.15 0.00 0.10 0.00 0.00 66.02 65.95 1xjq s SER 587 CO 0.04 -2.13 1.58 1.23 0.98 0.00 0.00 173.24 174.93 1xjq h GLY 588 N -0.88 0.77 0.43 7.32 0.00 -1.98 -1.45 103.07 107.28 1xjq h GLY 588 Ca -0.39 -0.74 0.07 0.00 0.00 0.00 0.00 47.33 46.27 1xjq h GLY 588 CO 0.40 0.67 0.06 -0.84 0.00 0.00 0.00 176.54 176.84 1xjq h THR 589 N 0.60 0.75 -0.07 4.70 2.02 -2.00 -1.25 112.91 117.66 1xjq h THR 589 Ca 0.06 -0.06 -0.16 0.00 0.77 0.00 0.00 66.41 67.02 1xjq h THR 589 Cb 0.87 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1xjq h THR 589 CO 0.08 0.03 -0.65 -0.09 0.37 0.00 0.00 175.52 175.26 1xjq h ARG 590 N 0.19 0.30 -0.16 6.66 9.65 -1.85 -1.60 114.38 127.57 1xjq h ARG 590 Ca 0.21 -0.22 0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1xjq h ARG 590 Cb 0.27 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 1xjq h ARG 590 CO -0.29 0.85 0.06 0.52 2.80 0.00 0.00 179.97 183.91 1xjq h MET 591 N 0.21 0.14 -0.54 0.20 2.86 -0.86 0.00 114.93 116.94 1xjq h MET 591 Ca -0.01 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1xjq h MET 591 Cb 1.19 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.78 1xjq h MET 591 CO 0.11 0.09 0.34 -0.09 1.06 0.00 0.00 176.91 178.42 1xjq h ARG 592 N 0.15 0.66 -0.45 1.72 2.43 -0.97 -1.36 114.38 116.55 1xjq h ARG 592 Ca 0.07 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1xjq h ARG 592 Cb 0.03 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1xjq h ARG 592 CO -0.06 0.44 0.26 0.87 -1.51 0.00 0.00 179.97 179.97 1xjq h LYS 593 N 0.68 0.61 0.07 0.20 1.57 -1.19 -1.92 116.57 116.60 1xjq h LYS 593 Ca 0.21 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1xjq h LYS 593 Cb -0.02 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1xjq h LYS 593 CO -0.07 0.47 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.17 1xjq h LEU 594 N 0.59 -0.08 -0.68 2.94 3.38 -0.68 -2.82 115.31 117.95 1xjq h LEU 594 Ca 0.16 -0.17 0.13 0.00 0.09 0.00 0.00 57.88 58.09 1xjq h LEU 594 Cb 0.02 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 40.66 1xjq h LEU 594 CO -0.03 0.12 -0.23 0.00 0.09 0.00 0.00 178.44 178.39 1xjq h ALA 595 N 0.63 0.30 -0.76 1.53 0.00 -1.21 -0.83 119.26 118.91 1xjq h ALA 595 Ca -0.01 0.24 0.21 0.00 0.00 0.00 0.00 54.91 55.35 1xjq h ALA 595 Cb 0.25 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1xjq h ALA 595 CO 0.02 -0.50 0.54 0.00 0.00 0.00 0.00 179.25 179.30 1xjq h ARG 596 N -0.05 0.09 -0.49 0.00 3.08 -1.10 0.38 114.38 116.28 1xjq h ARG 596 Ca 0.31 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1xjq h ARG 596 Cb 0.54 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1xjq h ARG 596 CO -0.73 0.06 0.00 -0.85 -1.07 0.00 0.00 179.97 177.38 1xjq n GLU 597 N -4.36 3.50 -1.50 0.04 0.28 -0.78 -4.95 120.64 112.87 1xjq n GLU 597 Ca 0.15 -2.76 -0.17 0.00 -0.16 0.00 0.00 57.16 54.23 1xjq n GLU 597 Cb 0.77 -1.81 -0.07 0.00 1.43 0.00 0.00 31.44 31.76 1xjq n GLU 597 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xjq n GLY 598 N 0.54 1.70 3.94 -1.84 0.00 0.12 -5.03 105.19 104.62 1xjq n GLY 598 Ca 0.22 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1xjq n GLY 598 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xjq s GLN 599 N -3.45 3.47 0.26 1.61 -0.21 -0.39 -4.98 119.66 115.97 1xjq s GLN 599 Ca 0.00 -0.34 0.05 0.00 0.02 0.00 0.00 55.36 55.09 1xjq s GLN 599 Cb 0.00 -2.66 -0.03 0.00 1.00 0.00 0.00 33.01 31.32 1xjq s GLN 599 CO 0.00 0.14 0.38 0.15 -2.12 0.00 0.00 175.29 173.84 1xjq s LYS 600 N -4.32 3.40 0.87 2.91 1.02 -1.26 -3.42 119.74 118.94 1xjq s LYS 600 Ca 0.40 -0.76 -0.12 0.00 0.02 0.00 0.00 55.97 55.51 1xjq s LYS 600 Cb -0.10 -2.87 0.11 0.00 -0.52 0.00 0.00 37.83 34.46 1xjq s LYS 600 CO 0.36 0.37 1.12 -2.14 -0.92 0.00 0.00 175.35 174.14 1xjq s PRO 601 N -4.02 1.48 1.02 -1.68 0.02 -1.26 -5.00 135.00 125.56 1xjq s PRO 601 Ca 0.36 0.44 -0.14 0.00 0.02 0.00 0.00 61.00 61.67 1xjq s PRO 601 Cb -0.09 -1.87 0.10 0.00 0.02 0.00 0.00 34.50 32.66 1xjq s PRO 601 CO 0.30 -1.99 0.47 -2.30 -0.33 0.00 0.00 177.00 173.14 1xjq n PRO 602 N -3.65 -0.93 -2.74 5.54 -0.02 -1.26 -4.89 135.00 127.05 1xjq n PRO 602 Ca 0.07 -0.23 -0.41 0.00 -2.02 0.00 0.00 63.50 60.90 1xjq n PRO 602 Cb 0.58 -1.92 -0.04 0.00 -0.02 0.00 0.00 33.50 32.10 1xjq n PRO 602 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1xjq s GLU 603 N -3.81 4.64 0.00 -0.52 2.12 -1.26 -3.05 118.70 116.81 1xjq s GLU 603 Ca 0.59 1.41 0.00 0.00 0.36 0.00 0.00 54.97 57.33 1xjq s GLU 603 Cb -0.19 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.79 1xjq s GLU 603 CO 0.65 0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.92 1xjq n GLY 604 N 2.48 0.10 0.11 -1.50 0.00 -1.26 -4.58 105.19 100.54 1xjq n GLY 604 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 1xjq n GLY 604 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xjq h PHE 605 N 0.00 0.40 -3.67 1.61 3.57 -1.86 -3.36 116.94 113.63 1xjq h PHE 605 Ca 0.00 -0.27 -0.22 0.00 3.53 0.00 0.00 57.97 61.01 1xjq h PHE 605 Cb 0.00 -0.02 -0.27 0.00 2.79 0.00 0.00 35.95 38.44 1xjq h PHE 605 CO 0.00 1.17 -0.68 1.41 -2.23 0.00 0.00 178.31 177.98 1xjq s MET 606 N -2.59 0.06 0.08 1.11 1.75 -1.26 -1.08 119.30 117.37 1xjq s MET 606 Ca -0.15 -0.01 -0.35 0.00 -1.25 0.00 0.00 55.69 53.93 1xjq s MET 606 Cb 0.00 0.03 -0.15 0.00 2.84 0.00 0.00 34.83 37.56 1xjq s MET 606 CO 0.79 -0.01 1.56 0.00 -0.65 0.00 0.00 175.02 176.71 1xjq n ALA 607 N 2.94 0.49 -0.22 4.11 0.00 -1.26 -4.72 120.51 121.85 1xjq n ALA 607 Ca -0.13 0.44 -0.03 0.00 0.00 0.00 0.00 53.44 53.72 1xjq n ALA 607 Cb 0.59 -2.28 0.03 0.00 0.00 0.00 0.00 19.45 17.80 1xjq n ALA 607 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xjq h PRO 608 N 6.03 -0.10 -0.71 0.00 0.11 -1.99 0.17 132.00 135.50 1xjq h PRO 608 Ca -0.46 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.71 1xjq h PRO 608 Cb 1.28 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.38 1xjq h PRO 608 CO 0.87 -0.07 0.47 0.87 -0.21 0.00 0.00 178.00 179.93 1xjq h LYS 609 N -0.11 0.74 -0.29 1.05 1.57 -1.89 -1.25 116.57 116.39 1xjq h LYS 609 Ca 0.27 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 1xjq h LYS 609 Cb 0.54 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1xjq h LYS 609 CO -0.70 0.49 -0.08 0.00 -0.57 0.00 0.00 179.45 178.58 1xjq h ALA 610 N 1.61 0.40 -0.89 3.86 0.00 -1.01 -1.98 119.26 121.26 1xjq h ALA 610 Ca 0.30 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 55.04 1xjq h ALA 610 Cb 0.22 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 1xjq h ALA 610 CO -0.10 0.23 0.52 2.35 0.00 0.00 0.00 179.25 182.25 1xjq h TRP 611 N 0.33 0.93 -0.54 0.00 2.91 -0.50 -2.36 115.95 116.71 1xjq h TRP 611 Ca 0.07 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.09 1xjq h TRP 611 Cb 0.57 -0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 28.91 1xjq h TRP 611 CO 0.05 0.35 0.18 1.15 -1.03 0.00 0.00 178.44 179.14 1xjq h THR 612 N 0.82 1.21 -0.64 2.65 2.02 -0.83 0.88 112.91 119.02 1xjq h THR 612 Ca 0.44 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1xjq h THR 612 Cb 0.47 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1xjq h THR 612 CO -0.28 0.27 0.41 0.58 0.37 0.00 0.00 175.52 176.87 1xjq h VAL 613 N 0.78 1.17 -0.33 3.16 2.07 -0.87 -1.40 116.25 120.84 1xjq h VAL 613 Ca 0.18 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1xjq h VAL 613 Cb 0.21 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1xjq h VAL 613 CO -0.01 0.17 -0.06 -0.07 0.02 0.00 0.00 177.57 177.62 1xjq h LEU 614 N 0.87 0.52 -1.08 2.57 3.38 -0.49 -0.46 115.31 120.61 1xjq h LEU 614 Ca 0.23 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1xjq h LEU 614 Cb -0.08 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1xjq h LEU 614 CO -0.05 0.63 0.13 0.71 0.09 0.00 0.00 178.44 179.95 1xjq h THR 615 N 0.51 1.22 -0.64 0.22 1.35 -0.19 0.22 112.91 115.60 1xjq h THR 615 Ca 0.10 -0.77 -0.06 0.00 -0.55 0.00 0.00 66.41 65.13 1xjq h THR 615 Cb 0.42 0.68 -0.03 0.00 -1.73 0.00 0.00 68.15 67.49 1xjq h THR 615 CO 0.02 0.29 0.18 -0.33 -0.25 0.00 0.00 175.52 175.43 1xjq h GLU 616 N 0.76 1.01 0.87 4.72 5.08 -0.50 0.48 114.58 127.01 1xjq h GLU 616 Ca 0.17 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1xjq h GLU 616 Cb 0.27 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1xjq h GLU 616 CO -0.00 0.90 -0.42 -0.92 -1.00 0.00 0.00 179.01 177.56 1xjq h TYR 617 N 0.94 -1.10 -0.86 4.33 -0.00 -0.05 -1.30 116.97 118.93 1xjq h TYR 617 Ca 0.20 -0.02 0.08 0.00 -0.00 0.00 0.00 58.73 58.99 1xjq h TYR 617 Cb 0.32 0.37 -0.06 0.00 -0.00 0.00 0.00 36.73 37.36 1xjq h TYR 617 CO 0.02 -0.68 0.56 1.88 -0.00 0.00 0.00 178.16 179.94 1xjq h TYR 618 N -1.18 0.94 -0.46 -3.82 0.99 -0.42 -1.64 116.97 111.38 1xjq h TYR 618 Ca -0.12 0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.69 1xjq h TYR 618 Cb 0.91 -0.31 -0.05 0.00 1.00 0.00 0.00 36.73 38.28 1xjq h TYR 618 CO -0.02 0.46 0.17 -0.22 -0.00 0.00 0.00 178.16 178.55 1xjq h LYS 619 N 0.90 0.33 0.00 4.88 3.64 0.14 0.39 116.57 126.85 1xjq h LYS 619 Ca 0.38 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.69 1xjq h LYS 619 Cb 0.32 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1xjq h LYS 619 CO -0.15 0.22 -0.26 0.66 -2.27 0.00 0.00 179.45 177.64 1xjq h SER 620 N 0.34 0.00 0.58 4.20 4.64 -0.35 -1.57 113.55 121.40 1xjq h SER 620 Ca 0.21 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.51 1xjq h SER 620 Cb 0.21 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1xjq h SER 620 CO -0.21 0.26 -0.28 -0.07 -0.87 0.00 0.00 176.83 175.66 1xjq h LEU 621 N 0.00 -0.66 -0.87 5.97 3.38 -0.75 -3.11 115.31 119.27 1xjq h LEU 621 Ca -0.00 -0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.11 1xjq h LEU 621 Cb 0.48 0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.30 1xjq h LEU 621 CO 0.03 -0.35 0.42 -0.08 0.09 0.00 0.00 178.44 178.55 1xjq h GLU 622 N -0.98 0.51 -0.09 1.13 4.57 -0.38 -2.05 114.58 117.29 1xjq h GLU 622 Ca -0.08 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.10 1xjq h GLU 622 Cb 0.66 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.07 1xjq h GLU 622 CO 0.13 0.34 -0.53 0.87 -1.18 0.00 0.00 179.01 178.64 1xjq h LYS 623 N 0.52 -0.57 0.00 1.92 1.57 -1.33 -3.51 116.57 115.18 1xjq h LYS 623 Ca 0.51 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1xjq h LYS 623 Cb 0.84 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1xjq h LYS 623 CO -0.44 -0.38 0.00 0.00 -0.57 0.00 0.00 179.45 178.06