#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jla h VAL 3 N 0.00 1.28 -0.38 2.46 2.07 -1.99 -1.87 116.25 117.82 2jla h VAL 3 Ca 0.00 -1.08 0.08 0.00 0.82 0.00 0.00 66.70 66.52 2jla h VAL 3 Cb 0.00 1.38 -0.09 0.00 -1.52 0.00 0.00 31.29 31.06 2jla h VAL 3 CO 0.00 0.35 -0.26 -1.28 0.02 0.00 0.00 177.57 176.40 2jla h SER 4 N 0.33 -0.87 -0.48 0.57 0.87 -1.85 0.35 113.55 112.47 2jla h SER 4 Ca 0.08 0.17 -0.12 0.00 -1.23 0.00 0.00 61.79 60.68 2jla h SER 4 Cb 0.54 0.43 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 2jla h SER 4 CO 0.03 -0.28 -0.18 0.00 -0.53 0.00 0.00 176.83 175.87 2jla h ALA 5 N 0.93 0.67 -0.50 6.23 0.00 -1.79 -3.18 119.26 121.63 2jla h ALA 5 Ca 0.18 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2jla h ALA 5 Cb 0.49 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2jla h ALA 5 CO -0.50 0.63 -0.11 0.35 0.00 0.00 0.00 179.25 179.62 2jla h PHE 6 N 0.83 1.03 -0.91 0.00 3.57 -0.88 -2.37 116.94 118.19 2jla h PHE 6 Ca 0.11 -0.20 0.16 0.00 3.53 0.00 0.00 57.97 61.57 2jla h PHE 6 Cb 0.75 -0.26 -0.10 0.00 2.79 0.00 0.00 35.95 39.13 2jla h PHE 6 CO 0.05 0.98 0.51 -0.91 -2.23 0.00 0.00 178.31 176.71 2jla h ASN 7 N 0.83 0.64 -0.14 0.41 2.35 -0.92 0.98 115.58 119.73 2jla h ASN 7 Ca 0.13 0.09 -0.19 0.00 -0.55 0.00 0.00 56.30 55.79 2jla h ASN 7 Cb 0.65 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2jla h ASN 7 CO 0.04 0.26 -0.61 0.03 -1.65 0.00 0.00 177.43 175.50 2jla h ARG 8 N 0.69 0.75 -0.29 0.81 3.08 -1.50 -0.89 114.38 117.04 2jla h ARG 8 Ca 0.51 -0.51 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 2jla h ARG 8 Cb 0.73 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 2jla h ARG 8 CO -0.37 1.14 -0.36 0.00 -1.07 0.00 0.00 179.97 179.30 2jla h ARG 9 N 0.56 0.67 0.44 0.04 3.08 -0.81 0.16 114.38 118.51 2jla h ARG 9 Ca -0.00 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 2jla h ARG 9 Cb 1.21 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 2jla h ARG 9 CO 0.13 0.93 -0.38 2.35 -1.07 0.00 0.00 179.97 181.92 2jla h TRP 10 N 0.56 -1.03 -0.43 3.04 2.91 -0.73 -2.78 115.95 117.48 2jla h TRP 10 Ca 0.05 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.11 2jla h TRP 10 Cb 0.88 0.39 -0.02 0.00 -0.51 0.00 0.00 29.16 29.90 2jla h TRP 10 CO 0.04 -0.54 0.29 0.00 -1.03 0.00 0.00 178.44 177.20 2jla h ALA 11 N -0.44 1.83 -0.52 2.65 0.00 -0.92 -1.95 119.26 119.92 2jla h ALA 11 Ca -0.04 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2jla h ALA 11 Cb 0.72 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2jla h ALA 11 CO -0.03 0.11 -0.01 0.00 0.00 0.00 0.00 179.25 179.32 2jla h ALA 12 N 1.75 1.01 -0.28 0.00 0.00 -0.55 -1.90 119.26 119.29 2jla h ALA 12 Ca 0.18 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2jla h ALA 12 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2jla h ALA 12 CO -0.04 0.61 0.07 0.28 0.00 0.00 0.00 179.25 180.16 2jla h VAL 13 N 0.81 1.21 0.01 0.00 2.07 -1.08 -1.55 116.25 117.72 2jla h VAL 13 Ca 0.15 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 67.00 2jla h VAL 13 Cb 0.50 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 2jla h VAL 13 CO 0.02 0.23 -0.29 0.40 0.02 0.00 0.00 177.57 177.95 2jla h ILE 14 N 0.28 0.35 -0.24 4.57 2.04 -1.24 -2.03 117.51 121.24 2jla h ILE 14 Ca 0.09 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 2jla h ILE 14 Cb 0.28 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2jla h ILE 14 CO 0.00 0.00 -0.05 -0.07 0.00 0.00 0.00 178.15 178.03 2jla h LEU 15 N -0.45 0.46 -1.45 1.44 3.38 -1.32 -2.51 115.31 114.86 2jla h LEU 15 Ca 0.06 -0.36 0.15 0.00 0.09 0.00 0.00 57.88 57.82 2jla h LEU 15 Cb 0.53 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 2jla h LEU 15 CO -0.25 0.71 0.54 -0.08 0.09 0.00 0.00 178.44 179.45 2jla h GLU 16 N 0.20 0.52 -0.40 1.13 4.57 -1.24 -1.96 114.58 117.39 2jla h GLU 16 Ca 0.06 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.15 2jla h GLU 16 Cb 0.50 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2jla h GLU 16 CO 0.02 0.35 0.00 0.00 -1.18 0.00 0.00 179.01 178.20 2jla h ALA 17 N 1.62 0.54 -0.71 2.92 0.00 -0.93 -2.86 119.26 119.84 2jla h ALA 17 Ca 0.41 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jla h ALA 17 Cb 0.80 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2jla h ALA 17 CO -0.16 0.31 0.43 -0.07 0.00 0.00 0.00 179.25 179.77 2jla h LEU 18 N 0.53 0.85 -1.49 0.00 3.38 -1.15 -1.22 115.31 116.21 2jla h LEU 18 Ca 0.11 -0.04 0.31 0.00 0.09 0.00 0.00 57.88 58.35 2jla h LEU 18 Cb 0.47 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 2jla h LEU 18 CO 0.02 0.65 0.73 0.74 0.09 0.00 0.00 178.44 180.67 2jla h THR 19 N 0.98 0.43 -0.00 0.22 2.02 -1.24 0.51 112.91 115.83 2jla h THR 19 Ca 0.26 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.34 2jla h THR 19 Cb -0.05 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 2jla h THR 19 CO -0.05 0.05 -0.01 0.54 0.37 0.00 0.00 175.52 176.42 2jla n ARG 20 N -4.56 0.52 -0.20 6.66 5.12 -0.46 -3.33 116.66 120.41 2jla n ARG 20 Ca 0.27 -0.01 0.08 0.00 -1.93 0.00 0.00 57.85 56.26 2jla n ARG 20 Cb 1.04 -1.50 0.16 0.00 -1.16 0.00 0.00 32.46 31.00 2jla n ARG 20 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2jla n HIS 21 N -1.23 0.36 -0.70 -1.55 8.25 0.16 -4.40 115.22 116.11 2jla n HIS 21 Ca 0.16 -0.84 0.00 0.00 -0.26 0.00 0.00 57.72 56.78 2jla n HIS 21 Cb 0.23 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.16 2jla n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jla n GLY 22 N -0.80 0.60 3.59 -1.41 0.00 -1.21 -4.69 105.19 101.27 2jla n GLY 22 Ca 0.15 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 2jla n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jla s VAL 23 N -2.00 3.95 -0.22 1.61 1.01 -1.18 -4.36 120.40 119.22 2jla s VAL 23 Ca 0.00 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 2jla s VAL 23 Cb 0.00 -4.47 -0.13 0.00 0.00 0.00 0.00 36.38 31.78 2jla s VAL 23 CO 0.00 -1.06 -0.21 0.54 0.00 0.00 0.00 175.10 174.36 2jla n ARG 24 N 8.29 0.53 -3.24 2.72 5.12 -1.26 -4.48 116.66 124.35 2jla n ARG 24 Ca 0.13 0.14 -0.39 0.00 -1.93 0.00 0.00 57.85 55.80 2jla n ARG 24 Cb 0.49 -1.41 -0.06 0.00 -1.16 0.00 0.00 32.46 30.32 2jla n ARG 24 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 2jla s HIS 25 N -2.43 3.73 -0.03 -1.55 3.76 -1.26 -0.48 115.29 117.03 2jla s HIS 25 Ca -0.30 1.23 0.01 0.00 -0.15 0.00 0.00 55.06 55.85 2jla s HIS 25 Cb 0.08 -2.56 0.02 0.00 1.11 0.00 0.00 32.58 31.23 2jla s HIS 25 CO 0.48 0.45 -0.02 -1.50 -0.85 0.00 0.00 174.74 173.30 2jla s ILE 26 N -0.57 0.26 -0.21 0.60 2.07 -0.79 -1.45 121.20 121.11 2jla s ILE 26 Ca 0.30 -0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.49 2jla s ILE 26 Cb -0.19 -0.31 -0.02 0.00 0.13 0.00 0.00 42.46 42.07 2jla s ILE 26 CO 0.18 0.14 -0.02 0.00 -1.91 0.00 0.00 174.94 173.33 2jla s ILE 28 N 1.19 1.71 0.15 0.00 1.01 0.12 -0.56 121.20 124.82 2jla s ILE 28 Ca 0.03 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 59.92 2jla s ILE 28 Cb -0.15 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 2jla s ILE 28 CO 0.00 0.48 0.12 0.00 0.00 0.00 0.00 174.94 175.54 2jla s ALA 29 N 0.57 3.55 0.46 9.38 0.00 -0.96 -2.42 121.76 132.34 2jla s ALA 29 Ca -0.15 -1.18 -0.22 0.00 0.00 0.00 0.00 51.96 50.41 2jla s ALA 29 Cb -0.17 -1.36 -0.08 0.00 0.00 0.00 0.00 23.12 21.52 2jla s ALA 29 CO 0.05 0.55 1.11 -1.25 0.00 0.00 0.00 175.76 176.22 2jla s PRO 30 N -2.95 3.82 0.02 0.00 0.04 -1.26 -4.72 135.00 129.96 2jla s PRO 30 Ca 0.30 1.62 -0.29 0.00 0.04 0.00 0.00 61.00 62.68 2jla s PRO 30 Cb -0.10 -2.35 0.10 0.00 0.04 0.00 0.00 34.50 32.19 2jla s PRO 30 CO 0.23 -0.46 1.23 0.20 0.04 0.00 0.00 177.00 178.24 2jla s GLY 31 N -1.55 -0.27 -0.21 0.56 0.00 -1.26 -4.63 107.32 99.96 2jla s GLY 31 Ca 0.64 0.36 -0.11 0.00 0.00 0.00 0.00 44.72 45.61 2jla s GLY 31 CO 0.30 1.77 -0.28 -1.26 0.00 0.00 0.00 173.10 173.63 2jla n SER 32 N -0.71 1.51 0.31 1.64 2.88 -1.26 -4.54 113.62 113.45 2jla n SER 32 Ca -0.05 0.26 0.18 0.00 -1.33 0.00 0.00 58.87 57.93 2jla n SER 32 Cb 0.61 -0.63 0.99 0.00 -0.75 0.00 0.00 64.21 64.43 2jla n SER 32 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2jla h ARG 33 N -0.77 0.00 -0.06 -1.46 9.65 -1.96 0.36 114.38 120.14 2jla h ARG 33 Ca -0.52 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 2jla h ARG 33 Cb 1.45 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.03 2jla h ARG 33 CO -0.32 0.02 0.00 -1.13 2.80 0.00 0.00 179.97 181.34 2jla n SER 34 N -3.47 1.01 -0.17 -3.80 3.41 -1.26 -4.48 113.62 104.86 2jla n SER 34 Ca -0.03 -1.47 -0.01 0.00 -0.26 0.00 0.00 58.87 57.10 2jla n SER 34 Cb 0.12 -0.04 0.07 0.00 -0.26 0.00 0.00 64.21 64.10 2jla n SER 34 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2jla h THR 35 N 1.45 0.61 -0.65 6.66 2.02 -1.15 0.21 112.91 122.05 2jla h THR 35 Ca 0.00 -0.05 0.09 0.00 0.77 0.00 0.00 66.41 67.22 2jla h THR 35 Cb 0.31 0.45 -0.07 0.00 -1.74 0.00 0.00 68.15 67.10 2jla h THR 35 CO 0.00 0.03 0.30 -0.65 0.37 0.00 0.00 175.52 175.57 2jla h PRO 36 N 0.14 0.51 0.09 6.66 0.11 -1.83 -0.76 132.00 136.94 2jla h PRO 36 Ca 0.27 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.34 2jla h PRO 36 Cb 0.41 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.40 2jla h PRO 36 CO -0.42 0.34 -0.04 -0.07 -0.21 0.00 0.00 178.00 177.59 2jla h LEU 37 N 0.53 -0.10 -0.39 2.35 3.38 -1.23 -2.62 115.31 117.22 2jla h LEU 37 Ca 0.32 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.94 2jla h LEU 37 Cb 0.34 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2jla h LEU 37 CO -0.26 0.36 0.15 0.74 0.09 0.00 0.00 178.44 179.52 2jla h THR 38 N -0.60 0.91 -0.15 0.22 2.02 -0.63 -0.69 112.91 113.99 2jla h THR 38 Ca -0.01 -0.11 -0.12 0.00 0.77 0.00 0.00 66.41 66.94 2jla h THR 38 Cb 0.49 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2jla h THR 38 CO 0.02 0.06 -0.43 -0.07 0.37 0.00 0.00 175.52 175.47 2jla h LEU 39 N 0.32 0.38 -0.12 2.58 3.38 -1.20 0.14 115.31 120.80 2jla h LEU 39 Ca 0.18 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2jla h LEU 39 Cb 0.14 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2jla h LEU 39 CO -0.16 0.77 0.03 0.00 0.09 0.00 0.00 178.44 179.17 2jla h ALA 40 N 1.25 0.15 -0.02 1.53 0.00 -1.19 -1.87 119.26 119.11 2jla h ALA 40 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2jla h ALA 40 Cb 0.88 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2jla h ALA 40 CO 0.07 -0.23 0.01 0.00 0.00 0.00 0.00 179.25 179.10 2jla h ALA 41 N 0.84 0.02 -0.63 0.00 0.00 -0.93 -2.73 119.26 115.85 2jla h ALA 41 Ca 0.04 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2jla h ALA 41 Cb 0.22 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 2jla h ALA 41 CO -0.00 -0.47 0.17 0.00 0.00 0.00 0.00 179.25 178.95 2jla h ALA 42 N 1.00 0.78 -0.02 0.00 0.00 -0.66 -0.92 119.26 119.44 2jla h ALA 42 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2jla h ALA 42 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jla h ALA 42 CO -0.00 -0.27 0.00 -0.85 0.00 0.00 0.00 179.25 178.13 2jla n GLU 43 N -5.08 1.14 -3.45 0.00 0.28 -0.71 -4.70 120.64 108.12 2jla n GLU 43 Ca 0.10 -0.21 -0.43 0.00 -0.16 0.00 0.00 57.16 56.45 2jla n GLU 43 Cb 0.33 -1.37 -0.08 0.00 1.43 0.00 0.00 31.44 31.75 2jla n GLU 43 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2jla s ASN 44 N -1.71 5.97 0.00 -1.84 3.84 -0.35 -4.96 114.94 115.89 2jla s ASN 44 Ca 0.34 -1.50 0.06 0.00 0.21 0.00 0.00 52.86 51.98 2jla s ASN 44 Cb 0.16 -2.12 0.36 0.00 -0.55 0.00 0.00 41.25 39.11 2jla s ASN 44 CO 0.27 -0.65 0.99 -1.54 -2.79 0.00 0.00 177.10 173.38 2jla n SER 45 N 5.10 0.00 0.18 -4.21 3.41 -1.26 -2.37 113.62 114.47 2jla n SER 45 Ca -0.12 -1.25 0.13 0.00 -0.26 0.00 0.00 58.87 57.37 2jla n SER 45 Cb 0.43 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.77 2jla n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jla h ALA 46 N 2.70 1.00 -2.73 7.33 0.00 -1.92 -3.46 119.26 122.18 2jla h ALA 46 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 2jla h ALA 46 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2jla h ALA 46 CO 0.00 0.00 -0.32 -0.06 0.00 0.00 0.00 179.25 178.87 2jla s PHE 47 N -3.29 3.48 -0.29 0.00 0.08 -1.00 -4.76 117.98 112.20 2jla s PHE 47 Ca 0.06 0.54 -0.13 0.00 0.12 0.00 0.00 56.93 57.53 2jla s PHE 47 Cb 0.09 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 2jla s PHE 47 CO 0.58 0.45 0.26 0.42 -0.10 0.00 0.00 175.22 176.84 2jla s ILE 48 N -1.63 5.25 -0.19 0.64 1.01 0.36 -5.03 121.20 121.63 2jla s ILE 48 Ca 0.40 0.20 -0.15 0.00 0.00 0.00 0.00 60.65 61.09 2jla s ILE 48 Cb -0.12 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 2jla s ILE 48 CO 0.24 0.15 0.37 -1.00 0.00 0.00 0.00 174.94 174.70 2jla s HIS 49 N 1.87 3.40 -0.01 3.97 3.76 -1.26 -1.89 115.29 125.13 2jla s HIS 49 Ca 0.09 0.62 0.06 0.00 -0.15 0.00 0.00 55.06 55.68 2jla s HIS 49 Cb -0.16 -2.48 -0.03 0.00 1.11 0.00 0.00 32.58 31.02 2jla s HIS 49 CO 0.11 0.06 -0.18 -1.01 -0.85 0.00 0.00 174.74 172.87 2jla s HIS 50 N 1.07 2.57 0.03 1.40 3.76 0.07 -4.99 115.29 119.20 2jla s HIS 50 Ca 0.19 -0.25 0.03 0.00 -0.15 0.00 0.00 55.06 54.87 2jla s HIS 50 Cb -0.14 -1.54 -0.02 0.00 1.11 0.00 0.00 32.58 31.99 2jla s HIS 50 CO 0.07 0.16 -0.09 0.95 -0.85 0.00 0.00 174.74 174.99 2jla s THR 51 N -0.78 0.67 -0.02 1.30 -4.23 -1.26 0.13 115.64 111.46 2jla s THR 51 Ca 0.12 -0.87 -0.28 0.00 -1.18 0.00 0.00 61.69 59.48 2jla s THR 51 Cb -0.10 -0.66 0.07 0.00 1.34 0.00 0.00 72.50 73.14 2jla s THR 51 CO 0.02 -0.16 0.63 -2.28 -0.54 0.00 0.00 174.62 172.29 2jla s HIS 52 N -0.95 -0.60 -0.23 3.99 5.04 -1.02 -4.96 115.29 116.57 2jla s HIS 52 Ca -0.04 0.93 0.22 0.00 -1.54 0.00 0.00 55.06 54.63 2jla s HIS 52 Cb -0.08 0.40 -0.00 0.00 0.04 0.00 0.00 32.58 32.94 2jla s HIS 52 CO 0.01 -0.62 1.05 0.27 -2.34 0.00 0.00 174.74 173.10 2jla h PHE 53 N 2.93 0.00 -3.67 3.88 -5.15 -1.99 -3.39 116.94 109.55 2jla h PHE 53 Ca -0.28 0.00 -0.68 0.00 -0.20 0.00 0.00 57.97 56.80 2jla h PHE 53 Cb 1.17 0.00 -0.20 0.00 0.22 0.00 0.00 35.95 37.14 2jla h PHE 53 CO 0.37 0.06 -0.48 0.34 -2.00 0.00 0.00 178.31 176.60 2jla s ASP 54 N -5.44 5.98 0.41 -0.68 -1.08 -1.26 -4.91 116.67 109.68 2jla s ASP 54 Ca -0.00 -0.52 0.15 0.00 -0.52 0.00 0.00 52.55 51.66 2jla s ASP 54 Cb 0.09 -2.12 0.87 0.00 -1.46 0.00 0.00 42.92 40.30 2jla s ASP 54 CO 0.79 -0.26 1.89 -0.33 0.52 0.00 0.00 175.17 177.77 2jla h GLU 55 N 8.49 0.00 -0.40 4.34 3.07 -1.89 0.11 114.58 128.30 2jla h GLU 55 Ca -0.31 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.50 2jla h GLU 55 Cb 1.15 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 2jla h GLU 55 CO 0.64 0.30 0.03 -0.09 -1.40 0.00 0.00 179.01 178.49 2jla h ARG 56 N 0.00 0.68 -0.23 2.33 2.43 -1.90 -1.30 114.38 116.40 2jla h ARG 56 Ca -0.00 -0.20 0.04 0.00 -0.81 0.00 0.00 59.98 59.00 2jla h ARG 56 Cb 0.56 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 2jla h ARG 56 CO 0.04 0.76 0.01 0.78 -1.51 0.00 0.00 179.97 180.05 2jla h GLY 57 N 0.52 0.22 0.45 2.80 0.00 -1.74 -2.60 103.07 102.72 2jla h GLY 57 Ca 0.12 0.01 0.11 0.00 0.00 0.00 0.00 47.33 47.57 2jla h GLY 57 CO 0.02 -0.03 0.53 -2.00 0.00 0.00 0.00 176.54 175.05 2jla h LEU 58 N 0.09 0.75 0.05 3.11 5.85 -0.35 0.25 115.31 125.06 2jla h LEU 58 Ca 0.11 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 2jla h LEU 58 Cb 0.13 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2jla h LEU 58 CO -0.17 0.40 -0.02 1.23 -0.34 0.00 0.00 178.44 179.54 2jla h GLY 59 N 0.84 -0.07 1.78 3.75 0.00 -1.04 -1.74 103.07 106.59 2jla h GLY 59 Ca 0.45 0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.73 2jla h GLY 59 CO -0.27 -0.03 -0.26 0.45 0.00 0.00 0.00 176.54 176.43 2jla h HIS 60 N -0.14 0.28 0.25 5.60 3.86 -0.87 0.20 115.15 124.33 2jla h HIS 60 Ca -0.01 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 2jla h HIS 60 Cb 0.12 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.52 2jla h HIS 60 CO -0.05 0.50 -0.12 1.25 0.86 0.00 0.00 177.93 180.37 2jla h LEU 61 N 0.23 -0.28 -0.89 2.43 5.85 -0.43 -0.45 115.31 121.77 2jla h LEU 61 Ca 0.04 -0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.83 2jla h LEU 61 Cb 0.59 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.61 2jla h LEU 61 CO 0.04 -0.13 0.52 0.00 -0.34 0.00 0.00 178.44 178.53 2jla h ALA 62 N 0.32 1.32 -0.63 1.25 0.00 -0.79 -1.36 119.26 119.38 2jla h ALA 62 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2jla h ALA 62 Cb 0.31 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2jla h ALA 62 CO 0.06 0.09 0.40 1.25 0.00 0.00 0.00 179.25 181.04 2jla h LEU 63 N 0.81 0.73 -1.01 0.00 5.85 -0.16 -0.23 115.31 121.31 2jla h LEU 63 Ca 0.45 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 59.11 2jla h LEU 63 Cb 0.49 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2jla h LEU 63 CO -0.28 0.55 0.35 1.23 -0.34 0.00 0.00 178.44 179.94 2jla h GLY 64 N 0.85 1.13 0.93 3.75 0.00 -0.50 0.13 103.07 109.36 2jla h GLY 64 Ca 0.23 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2jla h GLY 64 CO -0.05 0.52 0.08 1.41 0.00 0.00 0.00 176.54 178.50 2jla h LEU 65 N 1.05 0.18 -0.43 3.11 3.38 -0.46 -2.67 115.31 119.47 2jla h LEU 65 Ca 0.25 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 2jla h LEU 65 Cb 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2jla h LEU 65 CO -0.03 0.23 -0.76 0.00 0.09 0.00 0.00 178.44 177.97 2jla h ALA 66 N 0.96 0.64 -0.22 1.53 0.00 -0.93 -1.81 119.26 119.43 2jla h ALA 66 Ca 0.05 -0.64 0.06 0.00 0.00 0.00 0.00 54.91 54.38 2jla h ALA 66 Cb 0.09 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2jla h ALA 66 CO -0.01 0.82 -0.19 -0.22 0.00 0.00 0.00 179.25 179.65 2jla h LYS 67 N 0.17 -0.19 0.16 0.00 3.64 -0.63 -2.27 116.57 117.45 2jla h LYS 67 Ca -0.03 0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 59.08 2jla h LYS 67 Cb 1.33 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 33.21 2jla h LYS 67 CO 0.12 -0.13 -1.36 0.28 -2.27 0.00 0.00 179.45 176.10 2jla h VAL 68 N -0.20 1.17 0.00 2.00 2.07 -1.41 -3.34 116.25 116.54 2jla h VAL 68 Ca 0.13 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.14 2jla h VAL 68 Cb 0.39 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 2jla h VAL 68 CO -0.34 0.76 0.00 -1.54 0.02 0.00 0.00 177.57 176.47 2jla n SER 69 N -3.87 0.00 -0.82 0.57 3.41 -0.69 -4.89 113.62 107.34 2jla n SER 69 Ca -0.21 0.20 -0.06 0.00 -0.26 0.00 0.00 58.87 58.54 2jla n SER 69 Cb 0.96 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 2jla n SER 69 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jla n LYS 70 N -1.40 -1.50 -4.10 4.33 4.76 -0.85 -4.95 118.16 114.45 2jla n LYS 70 Ca 0.10 0.46 -0.24 0.00 -2.87 0.00 0.00 58.31 55.76 2jla n LYS 70 Cb 0.27 -4.37 -0.05 0.00 -1.84 0.00 0.00 35.03 29.04 2jla n LYS 70 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2jla s GLN 71 N -2.15 2.91 0.07 1.97 -1.52 -1.25 -4.96 119.66 114.73 2jla s GLN 71 Ca 0.00 -0.97 -0.31 0.00 -1.95 0.00 0.00 55.36 52.13 2jla s GLN 71 Cb 0.00 -2.60 -0.06 0.00 -0.22 0.00 0.00 33.01 30.12 2jla s GLN 71 CO 0.00 0.44 1.29 -1.25 -0.25 0.00 0.00 175.29 175.52 2jla s PRO 72 N -3.50 4.37 -0.08 2.91 0.04 -1.26 -4.56 135.00 132.92 2jla s PRO 72 Ca 0.32 1.90 0.02 0.00 0.04 0.00 0.00 61.00 63.28 2jla s PRO 72 Cb -0.09 -3.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 2jla s PRO 72 CO 0.24 -0.36 -0.13 0.08 0.04 0.00 0.00 177.00 176.87 2jla s VAL 73 N 1.25 3.11 0.16 -0.36 1.01 -0.08 -4.04 120.40 121.45 2jla s VAL 73 Ca 0.61 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 2jla s VAL 73 Cb -0.32 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2jla s VAL 73 CO 0.29 0.57 0.34 0.00 0.00 0.00 0.00 175.10 176.29 2jla s ALA 74 N -0.33 3.89 -0.04 5.51 0.00 -0.53 -0.67 121.76 129.59 2jla s ALA 74 Ca 0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 2jla s ALA 74 Cb -0.13 -1.93 0.03 0.00 0.00 0.00 0.00 23.12 21.09 2jla s ALA 74 CO 0.02 0.54 0.02 0.08 0.00 0.00 0.00 175.76 176.43 2jla s VAL 75 N -1.76 0.11 -0.16 0.00 1.01 0.35 -0.43 120.40 119.53 2jla s VAL 75 Ca 0.37 0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.54 2jla s VAL 75 Cb -0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 2jla s VAL 75 CO 0.28 0.18 -0.06 -0.63 0.00 0.00 0.00 175.10 174.87 2jla s ILE 76 N 1.59 3.62 0.08 2.22 1.01 0.27 0.47 121.20 130.46 2jla s ILE 76 Ca -0.02 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.18 2jla s ILE 76 Cb -0.13 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 2jla s ILE 76 CO -0.03 0.49 -0.02 0.68 0.00 0.00 0.00 174.94 176.07 2jla s VAL 77 N 0.48 0.29 0.66 2.92 -7.23 -1.12 -2.27 120.40 114.14 2jla s VAL 77 Ca -0.05 -1.86 -0.02 0.00 -1.81 0.00 0.00 61.98 58.24 2jla s VAL 77 Cb -0.15 -1.69 0.08 0.00 0.56 0.00 0.00 36.38 35.18 2jla s VAL 77 CO 0.03 -0.84 0.93 0.28 -0.31 0.00 0.00 175.10 175.20 2jla s THR 78 N -3.89 2.37 0.48 5.32 -1.32 -1.26 -2.21 115.64 115.13 2jla s THR 78 Ca 0.12 -0.50 -0.21 0.00 -1.21 0.00 0.00 61.69 59.89 2jla s THR 78 Cb 0.07 -2.87 -0.07 0.00 -1.51 0.00 0.00 72.50 68.12 2jla s THR 78 CO -0.06 0.00 1.10 -0.94 -2.21 0.00 0.00 174.62 172.52 2jla s SER 79 N -4.56 6.17 0.00 8.08 1.04 -1.20 -3.86 113.70 119.36 2jla s SER 79 Ca 0.61 2.13 0.00 0.00 0.48 0.00 0.00 55.95 59.18 2jla s SER 79 Cb -0.09 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.45 2jla s SER 79 CO 0.43 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.35 2jla n GLY 80 N 0.17 -0.36 0.17 7.32 0.00 -1.26 -4.57 105.19 106.66 2jla n GLY 80 Ca 0.09 -2.16 0.11 0.00 0.00 0.00 0.00 46.02 44.06 2jla n GLY 80 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jla n THR 81 N 0.00 0.97 -0.17 2.61 -2.24 -1.26 -0.69 114.28 113.50 2jla n THR 81 Ca 0.00 0.75 -0.02 0.00 -2.27 0.00 0.00 64.05 62.51 2jla n THR 81 Cb 0.00 -1.75 0.07 0.00 -2.10 0.00 0.00 70.33 66.55 2jla n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jla h ALA 82 N 1.92 0.53 -0.74 6.98 0.00 -1.80 -1.60 119.26 124.53 2jla h ALA 82 Ca 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2jla h ALA 82 Cb 0.06 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2jla h ALA 82 CO 0.00 -0.37 0.27 0.28 0.00 0.00 0.00 179.25 179.43 2jla h VAL 83 N 0.15 1.25 0.00 0.00 2.07 -1.02 -2.61 116.25 116.10 2jla h VAL 83 Ca 0.26 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2jla h VAL 83 Cb 0.40 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2jla h VAL 83 CO -0.41 0.33 -0.12 0.00 0.02 0.00 0.00 177.57 177.40 2jla h ALA 84 N 1.20 1.14 0.00 1.67 0.00 -1.38 -2.20 119.26 119.69 2jla h ALA 84 Ca 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2jla h ALA 84 Cb 0.24 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jla h ALA 84 CO -0.02 0.15 -0.04 -0.91 0.00 0.00 0.00 179.25 178.43 2jla h ASN 85 N 0.00 0.00 0.70 0.00 2.35 -0.94 -2.96 115.58 114.73 2jla h ASN 85 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2jla h ASN 85 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2jla h ASN 85 CO 0.02 0.04 0.00 0.18 -1.65 0.00 0.00 177.43 176.01 2jla n LEU 86 N -3.13 0.65 -0.07 1.61 4.77 -0.83 -3.95 117.00 116.06 2jla n LEU 86 Ca 0.02 0.66 -0.07 0.00 -0.03 0.00 0.00 56.01 56.59 2jla n LEU 86 Cb 0.41 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 2jla n LEU 86 CO 0.31 -0.57 0.82 0.22 -1.33 0.00 0.00 177.39 176.84 2jla h TYR 87 N 0.00 -0.12 0.13 -1.77 3.20 -1.67 -1.22 116.97 115.51 2jla h TYR 87 Ca 0.00 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.91 2jla h TYR 87 Cb 0.35 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 2jla h TYR 87 CO 0.00 -0.11 -0.23 -1.35 -1.64 0.00 0.00 178.16 174.83 2jla h PRO 88 N 0.01 -0.42 -0.37 1.82 0.11 -1.83 -0.25 132.00 131.07 2jla h PRO 88 Ca 0.13 0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.30 2jla h PRO 88 Cb 0.19 0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 2jla h PRO 88 CO -0.27 -0.28 0.25 0.00 -0.21 0.00 0.00 178.00 177.49 2jla h ALA 89 N 0.33 1.85 -0.25 -0.75 0.00 -1.79 -1.97 119.26 116.68 2jla h ALA 89 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2jla h ALA 89 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jla h ALA 89 CO -0.12 0.10 0.03 1.25 0.00 0.00 0.00 179.25 180.51 2jla h LEU 90 N 0.40 0.40 -0.19 0.00 5.85 -0.79 -1.18 115.31 119.80 2jla h LEU 90 Ca 0.15 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.64 2jla h LEU 90 Cb 0.10 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2jla h LEU 90 CO -0.03 0.58 -0.08 0.40 -0.34 0.00 0.00 178.44 178.97 2jla h ILE 91 N 0.22 0.74 -0.20 4.05 2.04 -0.40 0.37 117.51 124.34 2jla h ILE 91 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 2jla h ILE 91 Cb 0.35 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2jla h ILE 91 CO 0.01 0.00 0.08 -0.08 0.00 0.00 0.00 178.15 178.15 2jla h GLU 92 N -0.05 0.17 -0.59 2.37 4.57 -1.34 -2.34 114.58 117.37 2jla h GLU 92 Ca 0.10 -0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.39 2jla h GLU 92 Cb 0.19 -0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 28.65 2jla h GLU 92 CO -0.22 0.11 0.01 0.00 -1.18 0.00 0.00 179.01 177.73 2jla h ALA 93 N 1.12 0.59 0.00 2.92 0.00 -0.78 -0.07 119.26 123.03 2jla h ALA 93 Ca 0.08 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2jla h ALA 93 Cb 0.04 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2jla h ALA 93 CO -0.08 -0.39 -0.01 0.78 0.00 0.00 0.00 179.25 179.56 2jla h GLY 94 N 0.13 0.00 0.39 0.00 0.00 -0.42 0.48 103.07 103.65 2jla h GLY 94 Ca 0.31 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.43 2jla h GLY 94 CO -0.50 0.00 -1.92 1.04 0.00 0.00 0.00 176.54 175.16 2jla n LEU 95 N -3.76 0.34 -0.00 3.11 4.77 -0.33 -4.64 117.00 116.49 2jla n LEU 95 Ca -0.03 0.15 0.03 0.00 -0.03 0.00 0.00 56.01 56.13 2jla n LEU 95 Cb 0.09 0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 2jla n LEU 95 CO 0.27 0.25 -0.49 0.35 -1.33 0.00 0.00 177.39 176.44 2jla n THR 96 N -2.70 0.00 0.00 -5.08 -2.24 -0.19 -4.97 114.28 99.11 2jla n THR 96 Ca -0.17 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2jla n THR 96 Cb 0.90 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 2jla n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jla n GLY 97 N 1.98 0.85 3.69 3.38 0.00 0.16 -4.98 105.19 110.28 2jla n GLY 97 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2jla n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jla s GLU 98 N -0.34 4.14 -0.79 1.61 8.01 -1.19 -1.93 118.70 128.21 2jla s GLU 98 Ca 0.00 2.59 -0.26 0.00 0.01 0.00 0.00 54.97 57.32 2jla s GLU 98 Cb 0.00 -3.61 0.02 0.00 -4.31 0.00 0.00 34.13 26.23 2jla s GLU 98 CO 0.00 -0.85 1.46 0.15 0.01 0.00 0.00 175.26 176.03 2jla s LYS 99 N 2.79 3.14 -0.22 1.61 1.02 -1.26 -3.64 119.74 123.18 2jla s LYS 99 Ca 0.81 -0.30 -0.08 0.00 0.02 0.00 0.00 55.97 56.42 2jla s LYS 99 Cb -0.46 -4.54 -0.04 0.00 -0.52 0.00 0.00 37.83 32.28 2jla s LYS 99 CO 0.36 -2.34 0.08 -0.51 -0.92 0.00 0.00 175.35 172.02 2jla s LEU 100 N 6.42 3.70 -0.62 3.17 1.43 -1.24 -0.90 118.68 130.64 2jla s LEU 100 Ca 0.45 -0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 53.38 2jla s LEU 100 Cb -0.07 -1.97 0.16 0.00 0.03 0.00 0.00 46.19 44.34 2jla s LEU 100 CO 0.09 0.07 0.55 -0.63 0.23 0.00 0.00 176.35 176.66 2jla s ILE 101 N 1.01 5.03 -0.50 -0.59 -1.09 0.16 -0.68 121.20 124.54 2jla s ILE 101 Ca 0.05 -1.95 -0.24 0.00 -2.23 0.00 0.00 60.65 56.27 2jla s ILE 101 Cb -0.14 -4.20 0.03 0.00 -1.58 0.00 0.00 42.46 36.57 2jla s ILE 101 CO 0.03 -0.90 0.89 -0.76 -1.23 0.00 0.00 174.94 172.97 2jla s LEU 102 N 1.00 4.13 -0.51 2.97 1.43 -0.04 -0.49 118.68 127.17 2jla s LEU 102 Ca 0.09 -0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 52.84 2jla s LEU 102 Cb -0.23 -2.96 0.08 0.00 0.03 0.00 0.00 46.19 43.11 2jla s LEU 102 CO -0.02 -1.10 0.54 -0.76 0.23 0.00 0.00 176.35 175.25 2jla s LEU 103 N 3.71 5.38 -0.31 1.79 1.43 0.18 -0.30 118.68 130.55 2jla s LEU 103 Ca 0.32 -1.22 -0.05 0.00 -1.03 0.00 0.00 54.13 52.15 2jla s LEU 103 Cb -0.12 -2.31 0.03 0.00 0.03 0.00 0.00 46.19 43.82 2jla s LEU 103 CO 0.22 -0.83 0.06 0.42 0.23 0.00 0.00 176.35 176.45 2jla s THR 104 N 2.18 3.60 0.45 5.49 -4.23 -0.68 -2.79 115.64 119.66 2jla s THR 104 Ca 0.09 -1.04 -0.23 0.00 -1.18 0.00 0.00 61.69 59.33 2jla s THR 104 Cb -0.23 -2.97 -0.10 0.00 1.34 0.00 0.00 72.50 70.54 2jla s THR 104 CO 0.08 -0.06 0.97 0.00 -0.54 0.00 0.00 174.62 175.07 2jla n ALA 105 N 4.78 0.07 -2.79 3.99 0.00 -0.94 0.51 120.51 126.12 2jla n ALA 105 Ca -0.14 0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 2jla n ALA 105 Cb 0.46 -2.06 -0.11 0.00 0.00 0.00 0.00 19.45 17.73 2jla n ALA 105 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jla s ASP 106 N -0.83 0.85 0.68 0.00 -1.08 0.91 -3.25 116.67 113.95 2jla s ASP 106 Ca 0.65 -0.60 -0.16 0.00 -0.52 0.00 0.00 52.55 51.92 2jla s ASP 106 Cb -0.54 0.05 0.01 0.00 -1.46 0.00 0.00 42.92 40.98 2jla s ASP 106 CO 0.56 -0.24 1.20 -0.13 0.52 0.00 0.00 175.17 177.08 2jla s ARG 107 N -1.81 2.47 0.83 4.34 1.81 -1.26 -1.31 118.95 124.02 2jla s ARG 107 Ca -0.08 1.76 -0.12 0.00 -1.72 0.00 0.00 55.73 55.57 2jla s ARG 107 Cb -0.08 -1.87 0.09 0.00 -0.45 0.00 0.00 34.95 32.63 2jla s ARG 107 CO -0.00 -1.58 1.16 -1.25 -0.68 0.00 0.00 175.30 172.95 2jla s PRO 108 N -3.73 1.81 0.45 3.54 0.04 -1.24 -4.58 135.00 131.29 2jla s PRO 108 Ca 0.75 0.20 0.16 0.00 0.04 0.00 0.00 61.00 62.16 2jla s PRO 108 Cb -0.29 -1.92 1.11 0.00 0.04 0.00 0.00 34.50 33.43 2jla s PRO 108 CO 0.41 -1.72 1.98 -1.00 0.04 0.00 0.00 177.00 176.71 2jla h PRO 109 N -1.15 0.31 0.00 0.56 0.13 -1.95 -1.40 132.00 128.49 2jla h PRO 109 Ca -0.47 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2jla h PRO 109 Cb 1.32 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2jla h PRO 109 CO 0.64 0.20 -0.04 0.93 -0.23 0.00 0.00 178.00 179.51 2jla h GLU 110 N 0.32 0.00 -0.78 0.86 3.07 -2.02 -2.91 114.58 113.11 2jla h GLU 110 Ca 0.28 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.80 2jla h GLU 110 Cb 0.65 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 28.37 2jla h GLU 110 CO -0.07 0.04 0.38 1.28 -1.40 0.00 0.00 179.01 179.24 2jla n LEU 111 N -4.13 6.03 -4.61 1.33 4.77 -0.53 -4.91 117.00 114.96 2jla n LEU 111 Ca -0.03 -3.45 -0.34 0.00 -0.03 0.00 0.00 56.01 52.16 2jla n LEU 111 Cb 0.13 -0.76 -0.10 0.00 -2.33 0.00 0.00 43.42 40.35 2jla n LEU 111 CO 0.31 0.96 -0.31 -0.63 -1.33 0.00 0.00 177.39 176.40 2jla s ILE 112 N -3.15 4.31 -1.26 -0.08 -1.09 -1.10 -4.57 121.20 114.26 2jla s ILE 112 Ca 0.54 -0.22 -0.03 0.00 -2.23 0.00 0.00 60.65 58.71 2jla s ILE 112 Cb 0.45 -2.87 0.01 0.00 -1.58 0.00 0.00 42.46 38.46 2jla s ILE 112 CO 0.10 0.53 1.03 0.47 -1.23 0.00 0.00 174.94 175.84 2jla n ASP 113 N 2.97 -3.18 -0.83 3.58 8.00 -1.26 -4.91 116.55 120.92 2jla n ASP 113 Ca -0.18 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.70 2jla n ASP 113 Cb 0.53 -4.99 -0.00 0.00 -0.02 0.00 0.00 41.12 36.63 2jla n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jla n GLY 115 N 0.13 0.42 3.77 0.00 0.00 -1.26 -5.01 105.19 103.24 2jla n GLY 115 Ca -0.02 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2jla n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jla s ALA 116 N -1.78 3.60 0.29 4.61 0.00 -1.26 -4.94 121.76 122.27 2jla s ALA 116 Ca 0.00 1.47 -0.30 0.00 0.00 0.00 0.00 51.96 53.14 2jla s ALA 116 Cb 0.00 -3.58 -0.11 0.00 0.00 0.00 0.00 23.12 19.43 2jla s ALA 116 CO 0.00 -0.91 1.48 1.21 0.00 0.00 0.00 175.76 177.54 2jla s ASN 117 N -0.04 6.53 -1.51 0.00 2.47 -1.26 -3.28 114.94 117.85 2jla s ASN 117 Ca 0.55 2.82 -0.13 0.00 0.42 0.00 0.00 52.86 56.51 2jla s ASN 117 Cb -0.45 -2.64 0.07 0.00 -1.45 0.00 0.00 41.25 36.79 2jla s ASN 117 CO 0.55 -0.78 1.02 1.67 -3.72 0.00 0.00 177.10 175.85 2jla n GLN 118 N 1.86 -5.97 -4.03 0.43 7.27 -1.26 -4.95 117.38 110.72 2jla n GLN 118 Ca 0.06 0.64 -0.30 0.00 0.07 0.00 0.00 57.00 57.47 2jla n GLN 118 Cb 0.39 -5.56 -0.16 0.00 2.41 0.00 0.00 30.24 27.32 2jla n GLN 118 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jla s ALA 119 N -3.30 1.82 0.36 1.69 0.00 -1.21 -4.31 121.76 116.81 2jla s ALA 119 Ca 0.66 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.78 2jla s ALA 119 Cb -0.32 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 2jla s ALA 119 CO 0.81 -0.37 0.10 0.96 0.00 0.00 0.00 175.76 177.27 2jla s ILE 120 N 1.47 0.78 -0.58 0.00 -4.36 -1.26 -4.78 121.20 112.47 2jla s ILE 120 Ca 0.04 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.19 2jla s ILE 120 Cb -0.13 -2.54 0.04 0.00 1.25 0.00 0.00 42.46 41.09 2jla s ILE 120 CO -0.10 0.00 1.01 -0.13 0.24 0.00 0.00 174.94 175.96 2jla s ARG 121 N -3.81 3.32 -0.22 0.37 0.52 -1.26 -4.88 118.95 112.98 2jla s ARG 121 Ca 0.30 -0.25 0.07 0.00 -0.52 0.00 0.00 55.73 55.34 2jla s ARG 121 Cb 0.05 -4.08 -0.19 0.00 0.52 0.00 0.00 34.95 31.26 2jla s ARG 121 CO 0.15 -1.61 -0.11 1.04 0.02 0.00 0.00 175.30 174.78 2jla n GLN 122 N 7.81 0.72 -1.67 3.54 6.02 -1.26 -4.90 117.38 127.64 2jla n GLN 122 Ca 0.02 0.09 -0.43 0.00 -0.01 0.00 0.00 57.00 56.67 2jla n GLN 122 Cb 0.48 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.22 2jla n GLN 122 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2jla n PRO 123 N -3.02 2.76 -0.24 -1.09 -0.02 -1.26 -4.66 135.00 127.46 2jla n PRO 123 Ca -0.38 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2jla n PRO 123 Cb 1.01 -2.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 2jla n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jla n GLY 124 N 4.43 0.65 0.00 -1.23 0.00 -1.26 -5.07 105.19 102.71 2jla n GLY 124 Ca 0.20 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2jla n GLY 124 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jla n PHE 126 N -0.16 0.00 0.00 1.61 0.99 -1.26 -4.85 117.46 113.78 2jla n PHE 126 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2jla n PHE 126 Cb 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.56 2jla n PHE 126 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2jla n ALA 127 N 0.00 0.00 1.70 4.37 0.00 -1.26 -1.24 120.51 124.08 2jla n ALA 127 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2jla n ALA 127 Cb 0.00 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.02 2jla n ALA 127 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jla n SER 128 N 3.64 0.70 0.09 0.00 3.41 -1.26 -4.37 113.62 115.83 2jla n SER 128 Ca 0.00 -1.43 -0.07 0.00 -0.26 0.00 0.00 58.87 57.11 2jla n SER 128 Cb 0.00 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 63.91 2jla n SER 128 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2jla h HIS 129 N 0.99 0.18 -4.22 7.33 -0.00 -1.59 -3.43 115.15 114.42 2jla h HIS 129 Ca 0.00 -0.10 -0.51 0.00 -0.00 0.00 0.00 60.37 59.76 2jla h HIS 129 Cb 0.21 -0.02 0.10 0.00 -0.00 0.00 0.00 27.41 27.71 2jla h HIS 129 CO 0.03 0.93 0.37 -2.14 -0.00 0.00 0.00 177.93 177.12 2jla s PRO 130 N -3.15 2.74 -0.05 2.45 0.02 -1.26 -4.61 135.00 131.14 2jla s PRO 130 Ca -0.02 1.36 -0.23 0.00 0.02 0.00 0.00 61.00 62.13 2jla s PRO 130 Cb 0.10 -1.95 -0.18 0.00 0.02 0.00 0.00 34.50 32.50 2jla s PRO 130 CO 0.82 -1.29 0.97 1.15 -0.33 0.00 0.00 177.00 178.32 2jla h THR 131 N -0.11 1.09 -4.16 0.99 2.02 -0.25 -3.46 112.91 109.02 2jla h THR 131 Ca -0.46 -1.25 -0.69 0.00 0.77 0.00 0.00 66.41 64.77 2jla h THR 131 Cb 1.24 1.83 -0.25 0.00 -1.74 0.00 0.00 68.15 69.23 2jla h THR 131 CO 0.54 0.28 -0.85 -1.00 0.37 0.00 0.00 175.52 174.86 2jla s HIS 132 N -3.53 2.41 -0.17 3.16 3.76 -1.13 -5.05 115.29 114.74 2jla s HIS 132 Ca -0.14 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.42 2jla s HIS 132 Cb 0.00 -1.41 0.04 0.00 1.11 0.00 0.00 32.58 32.32 2jla s HIS 132 CO 0.55 0.18 -0.08 -1.12 -0.85 0.00 0.00 174.74 173.43 2jla s SER 133 N -1.35 2.99 -0.17 1.40 0.01 -1.26 -1.50 113.70 113.82 2jla s SER 133 Ca 0.13 -0.71 -0.03 0.00 1.31 0.00 0.00 55.95 56.64 2jla s SER 133 Cb -0.10 -1.04 -0.02 0.00 0.21 0.00 0.00 66.02 65.07 2jla s SER 133 CO 0.03 -0.16 -0.05 -0.63 0.41 0.00 0.00 173.24 172.85 2jla s ILE 134 N 1.54 3.65 -0.56 1.44 1.01 -0.20 -4.98 121.20 123.11 2jla s ILE 134 Ca 0.01 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 2jla s ILE 134 Cb -0.15 -2.61 0.15 0.00 0.01 0.00 0.00 42.46 39.85 2jla s ILE 134 CO -0.08 0.47 0.39 -0.55 0.00 0.00 0.00 174.94 175.16 2jla s SER 135 N 0.72 5.40 0.51 3.58 0.15 -1.26 -1.02 113.70 121.79 2jla s SER 135 Ca -0.02 -2.50 -0.23 0.00 0.70 0.00 0.00 55.95 53.90 2jla s SER 135 Cb -0.15 -1.89 -0.06 0.00 -1.71 0.00 0.00 66.02 62.21 2jla s SER 135 CO 0.02 -0.47 1.33 -0.76 1.20 0.00 0.00 173.24 174.56 2jla s LEU 136 N 0.46 3.93 0.91 3.45 1.43 -0.77 -4.97 118.68 123.12 2jla s LEU 136 Ca 0.13 2.70 -0.12 0.00 -1.03 0.00 0.00 54.13 55.82 2jla s LEU 136 Cb -0.21 -4.21 0.13 0.00 0.03 0.00 0.00 46.19 41.94 2jla s LEU 136 CO -0.04 -1.38 1.11 -2.16 0.23 0.00 0.00 176.35 174.11 2jla s PRO 137 N -2.78 1.18 0.25 1.29 0.04 -1.26 -4.53 135.00 129.19 2jla s PRO 137 Ca 0.68 0.51 -0.30 0.00 0.04 0.00 0.00 61.00 61.93 2jla s PRO 137 Cb -0.39 -1.83 -0.14 0.00 0.04 0.00 0.00 34.50 32.19 2jla s PRO 137 CO 0.47 -2.22 1.23 -2.13 0.04 0.00 0.00 177.00 174.39 2jla n ARG 138 N -3.82 1.67 -2.13 4.56 0.63 -1.26 -4.69 116.66 111.61 2jla n ARG 138 Ca 0.06 0.59 -0.42 0.00 -0.92 0.00 0.00 57.85 57.16 2jla n ARG 138 Cb 0.57 -2.12 -0.03 0.00 0.45 0.00 0.00 32.46 31.33 2jla n ARG 138 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2jla s PRO 139 N -0.94 4.29 -0.13 -0.14 0.02 -1.26 -5.01 135.00 131.83 2jla s PRO 139 Ca 0.65 2.11 -0.10 0.00 0.02 0.00 0.00 61.00 63.67 2jla s PRO 139 Cb -0.70 -3.33 0.04 0.00 0.02 0.00 0.00 34.50 30.53 2jla s PRO 139 CO 0.55 -0.51 0.33 -0.08 -0.33 0.00 0.00 177.00 176.96 2jla s THR 140 N 1.50 -0.01 -0.10 0.99 -1.32 -1.26 -5.02 115.64 110.42 2jla s THR 140 Ca 0.66 0.03 0.27 0.00 -1.21 0.00 0.00 61.69 61.44 2jla s THR 140 Cb -0.37 -0.47 0.28 0.00 -1.51 0.00 0.00 72.50 70.44 2jla s THR 140 CO 0.30 0.01 1.82 1.56 -2.21 0.00 0.00 174.62 176.10 2jla h GLN 141 N 5.96 0.00 0.00 7.08 4.20 -2.00 -2.30 115.11 128.06 2jla h GLN 141 Ca -0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2jla h GLN 141 Cb 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 2jla h GLN 141 CO 0.31 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 178.22 2jla n ASP 142 N -2.47 0.41 -4.47 1.46 8.00 -1.26 -4.43 116.55 113.78 2jla n ASP 142 Ca -0.01 0.58 -0.37 0.00 0.71 0.00 0.00 54.79 55.71 2jla n ASP 142 Cb 0.12 -0.68 -0.12 0.00 -0.02 0.00 0.00 41.12 40.42 2jla n ASP 142 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jla s ILE 143 N -3.15 4.51 0.60 0.53 1.01 -0.87 -5.09 121.20 118.74 2jla s ILE 143 Ca 0.07 -0.11 -0.18 0.00 0.00 0.00 0.00 60.65 60.43 2jla s ILE 143 Cb 0.11 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 2jla s ILE 143 CO 0.39 0.32 1.15 -2.16 0.00 0.00 0.00 174.94 174.64 2jla s PRO 144 N 1.64 3.03 0.47 2.79 0.04 -1.26 -4.87 135.00 136.83 2jla s PRO 144 Ca 0.06 1.63 0.19 0.00 0.04 0.00 0.00 61.00 62.92 2jla s PRO 144 Cb -0.15 -1.96 1.18 0.00 0.04 0.00 0.00 34.50 33.61 2jla s PRO 144 CO 0.05 -1.12 1.95 0.00 0.04 0.00 0.00 177.00 177.93 2jla h ALA 145 N 0.72 2.26 -0.53 8.56 0.00 -1.92 -2.03 119.26 126.32 2jla h ALA 145 Ca -0.49 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.46 2jla h ALA 145 Cb 1.27 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2jla h ALA 145 CO 0.55 -0.44 0.35 0.07 0.00 0.00 0.00 179.25 179.79 2jla h ARG 146 N 0.26 0.51 -0.31 0.00 0.11 -1.92 -0.10 114.38 112.94 2jla h ARG 146 Ca 0.32 -0.03 -0.13 0.00 0.10 0.00 0.00 59.98 60.24 2jla h ARG 146 Cb 0.90 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 31.86 2jla h ARG 146 CO -0.07 0.34 -0.32 2.35 0.10 0.00 0.00 179.97 182.37 2jla h TRP 147 N 0.53 0.91 -0.35 4.08 7.01 -1.73 -0.76 115.95 125.63 2jla h TRP 147 Ca 0.22 -0.28 -0.02 0.00 2.11 0.00 0.00 58.89 60.93 2jla h TRP 147 Cb 0.22 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.08 2jla h TRP 147 CO -0.00 1.04 0.16 1.25 -2.79 0.00 0.00 178.44 178.10 2jla h LEU 148 N 0.52 0.48 -0.62 0.65 5.85 -1.25 0.08 115.31 121.01 2jla h LEU 148 Ca 0.05 -0.15 -0.15 0.00 0.84 0.00 0.00 57.88 58.47 2jla h LEU 148 Cb 0.90 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2jla h LEU 148 CO 0.08 0.49 -0.69 1.62 -0.34 0.00 0.00 178.44 179.61 2jla h VAL 149 N 0.43 1.48 -0.39 1.05 3.04 -1.10 -2.96 116.25 117.80 2jla h VAL 149 Ca 0.12 -2.33 -0.08 0.00 -1.01 0.00 0.00 66.70 63.40 2jla h VAL 149 Cb 0.16 2.25 -0.01 0.00 -2.01 0.00 0.00 31.29 31.68 2jla h VAL 149 CO -0.01 0.67 -0.09 0.28 -1.01 0.00 0.00 177.57 177.41 2jla h SER 150 N 0.02 0.75 0.14 3.17 0.02 -0.77 0.72 113.55 117.61 2jla h SER 150 Ca -0.01 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2jla h SER 150 Cb 1.22 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 2jla h SER 150 CO 0.09 0.94 -0.14 0.74 -1.14 0.00 0.00 176.83 177.32 2jla h THR 151 N 0.56 0.68 -0.53 -2.27 2.02 -0.99 0.53 112.91 112.92 2jla h THR 151 Ca 0.10 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.30 2jla h THR 151 Cb 0.60 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 2jla h THR 151 CO 0.04 0.00 0.33 0.40 0.37 0.00 0.00 175.52 176.66 2jla h ILE 152 N -0.31 1.10 -0.58 3.11 2.04 -1.47 -2.36 117.51 119.03 2jla h ILE 152 Ca 0.01 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 65.72 2jla h ILE 152 Cb 0.30 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 36.68 2jla h ILE 152 CO -0.04 0.12 0.21 0.44 0.00 0.00 0.00 178.15 178.88 2jla h ASP 153 N 0.67 0.20 0.09 1.72 3.45 -0.28 -1.05 116.42 121.22 2jla h ASP 153 Ca 0.20 0.07 -0.00 0.00 0.43 0.00 0.00 57.03 57.73 2jla h ASP 153 Cb -0.03 0.06 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 2jla h ASP 153 CO -0.07 0.13 -0.04 -0.74 -1.57 0.00 0.00 179.24 176.95 2jla h HIS 154 N 0.39 -0.11 -0.57 4.55 2.76 -0.63 0.36 115.15 121.89 2jla h HIS 154 Ca 0.29 -0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.56 2jla h HIS 154 Cb 0.34 0.04 -0.09 0.00 1.55 0.00 0.00 27.41 29.25 2jla h HIS 154 CO -0.17 0.08 0.09 0.00 -1.30 0.00 0.00 177.93 176.63 2jla h ALA 155 N 0.62 0.65 0.12 5.26 0.00 -1.00 -0.66 119.26 124.25 2jla h ALA 155 Ca -0.01 0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 2jla h ALA 155 Cb 0.23 0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.24 2jla h ALA 155 CO 0.02 -0.33 -0.77 -0.07 0.00 0.00 0.00 179.25 178.11 2jla h LEU 156 N 0.22 0.46 -1.08 0.00 4.07 -1.10 -3.07 115.31 114.81 2jla h LEU 156 Ca 0.30 -0.93 0.20 0.00 0.08 0.00 0.00 57.88 57.53 2jla h LEU 156 Cb 0.45 -0.15 -0.10 0.00 1.08 0.00 0.00 40.66 41.93 2jla h LEU 156 CO -0.41 1.36 0.61 1.23 -1.08 0.00 0.00 178.44 180.16 2jla h GLY 157 N -0.36 1.67 -2.21 0.83 0.00 -0.15 -2.39 103.07 100.46 2jla h GLY 157 Ca -0.13 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2jla h GLY 157 CO 0.14 -0.08 0.00 -1.30 0.00 0.00 0.00 176.54 175.31 2jla n THR 158 N -4.74 0.66 -2.65 4.70 -2.24 -0.27 -4.18 114.28 105.56 2jla n THR 158 Ca 0.23 -0.77 -0.42 0.00 -2.27 0.00 0.00 64.05 60.82 2jla n THR 158 Cb 0.62 0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 69.47 2jla n THR 158 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2jla s LEU 159 N -1.25 3.60 -0.05 3.22 2.96 -0.90 -4.87 118.68 121.39 2jla s LEU 159 Ca 0.41 -0.11 -0.26 0.00 -0.22 0.00 0.00 54.13 53.95 2jla s LEU 159 Cb 0.22 -2.99 -0.22 0.00 0.50 0.00 0.00 46.19 43.71 2jla s LEU 159 CO 0.30 -1.47 1.11 -0.74 -1.32 0.00 0.00 176.35 174.24 2jla h HIS 160 N 9.55 0.09 -2.97 5.38 -0.00 -1.90 -3.49 115.15 121.81 2jla h HIS 160 Ca -0.26 -0.04 0.03 0.00 -0.00 0.00 0.00 60.37 60.11 2jla h HIS 160 Cb 1.06 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 28.43 2jla h HIS 160 CO 1.02 0.72 0.27 0.00 -0.00 0.00 0.00 177.93 179.93 2jla s ALA 161 N -3.56 -1.00 0.01 5.26 0.00 -1.26 -5.02 121.76 116.19 2jla s ALA 161 Ca -0.16 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2jla s ALA 161 Cb 0.01 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.88 2jla s ALA 161 CO 0.70 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.85 2jla n GLY 162 N -0.50 -1.71 3.93 0.00 0.00 -0.81 -4.75 105.19 101.35 2jla n GLY 162 Ca -0.06 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.41 2jla n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jla s GLY 163 N -2.91 1.77 -0.10 -0.02 0.00 -1.26 -3.65 107.32 101.15 2jla s GLY 163 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 44.72 43.88 2jla s GLY 163 CO 0.00 -0.84 -0.22 0.14 0.00 0.00 0.00 173.10 172.18 2jla s VAL 164 N -1.85 2.27 -0.25 1.40 1.01 0.14 0.48 120.40 123.61 2jla s VAL 164 Ca 0.38 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 2jla s VAL 164 Cb -0.11 -1.88 0.03 0.00 0.00 0.00 0.00 36.38 34.42 2jla s VAL 164 CO 0.29 0.56 -0.06 -2.28 0.00 0.00 0.00 175.10 173.60 2jla s HIS 165 N 0.20 3.06 -0.39 5.22 5.65 -0.57 -0.86 115.29 127.61 2jla s HIS 165 Ca -0.13 -1.54 -0.01 0.00 0.25 0.00 0.00 55.06 53.62 2jla s HIS 165 Cb -0.17 -2.06 0.11 0.00 -1.18 0.00 0.00 32.58 29.29 2jla s HIS 165 CO 0.07 -0.73 0.17 0.42 -0.65 0.00 0.00 174.74 174.03 2jla s ILE 166 N 1.33 3.07 0.05 0.89 1.01 0.59 -1.03 121.20 127.10 2jla s ILE 166 Ca 0.00 -2.12 -0.30 0.00 0.00 0.00 0.00 60.65 58.23 2jla s ILE 166 Cb -0.17 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 2jla s ILE 166 CO -0.05 -0.67 1.10 0.21 0.00 0.00 0.00 174.94 175.53 2jla s ASN 167 N 1.62 7.22 -0.58 3.58 2.47 -0.19 -1.68 114.94 127.38 2jla s ASN 167 Ca 0.09 1.87 0.04 0.00 0.42 0.00 0.00 52.86 55.28 2jla s ASN 167 Cb -0.22 -2.58 0.15 0.00 -1.45 0.00 0.00 41.25 37.15 2jla s ASN 167 CO -0.05 -0.36 0.37 0.00 -3.72 0.00 0.00 177.10 173.34 2jla s PRO 169 N -0.69 4.14 -0.04 0.00 0.02 -1.26 -0.07 135.00 137.10 2jla s PRO 169 Ca 0.22 2.56 0.01 0.00 0.02 0.00 0.00 61.00 63.80 2jla s PRO 169 Cb -0.14 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.34 2jla s PRO 169 CO -0.09 -0.68 -0.02 -0.06 -0.33 0.00 0.00 177.00 175.82 2jla s PHE 170 N 0.66 0.58 0.74 6.54 0.40 -0.43 -4.45 117.98 122.02 2jla s PHE 170 Ca 0.69 -0.13 -0.12 0.00 -0.60 0.00 0.00 56.93 56.78 2jla s PHE 170 Cb -0.48 -0.58 0.04 0.00 0.51 0.00 0.00 43.02 42.51 2jla s PHE 170 CO 0.39 -0.18 1.12 0.00 0.70 0.00 0.00 175.22 177.25 2jla s ALA 171 N 1.04 2.78 -0.30 5.36 0.00 -1.26 -3.67 121.76 125.71 2jla s ALA 171 Ca -0.09 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.46 2jla s ALA 171 Cb -0.14 -3.01 0.08 0.00 0.00 0.00 0.00 23.12 20.06 2jla s ALA 171 CO -0.01 -1.34 -0.00 -1.83 0.00 0.00 0.00 175.76 172.57 2jla s GLU 172 N -5.42 1.64 -0.22 0.00 -1.05 -1.26 -4.63 118.70 107.76 2jla s GLU 172 Ca 0.60 -1.54 -0.07 0.00 -0.15 0.00 0.00 54.97 53.81 2jla s GLU 172 Cb -0.11 -2.93 -0.03 0.00 -0.44 0.00 0.00 34.13 30.62 2jla s GLU 172 CO 0.51 -0.80 0.05 -2.14 0.95 0.00 0.00 175.26 173.83 2jla s PRO 173 N 1.08 3.68 0.02 -4.83 0.02 -1.26 -5.06 135.00 128.65 2jla s PRO 173 Ca 0.03 -0.47 0.18 0.00 0.02 0.00 0.00 61.00 60.75 2jla s PRO 173 Cb -0.19 -3.23 -0.17 0.00 0.02 0.00 0.00 34.50 30.93 2jla s PRO 173 CO -0.08 -0.06 0.69 1.28 -0.33 0.00 0.00 177.00 178.49 2jla n LEU 174 N 4.51 0.65 -4.55 -5.54 4.77 -1.26 -3.03 117.00 112.54 2jla n LEU 174 Ca -0.17 0.28 -0.24 0.00 -0.03 0.00 0.00 56.01 55.86 2jla n LEU 174 Cb 0.52 0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.64 2jla n LEU 174 CO 0.32 0.17 -0.40 -0.31 -1.33 0.00 0.00 177.39 175.83 2jla s TYR 175 N -2.94 2.48 -5.00 -1.77 1.51 -1.26 -4.74 117.35 105.62 2jla s TYR 175 Ca -0.04 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 2jla s TYR 175 Cb 0.09 -1.11 0.00 0.00 -0.11 0.00 0.00 41.96 40.83 2jla s TYR 175 CO 0.82 0.66 0.00 0.41 -1.11 0.00 0.00 175.55 176.34 2jla n GLY 176 N -0.76 -1.02 0.00 0.71 0.00 -1.26 -4.82 105.19 98.04 2jla n GLY 176 Ca -0.06 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.36 2jla n GLY 176 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jla n GLU 177 N -1.25 0.00 0.00 1.61 4.07 -1.26 -4.91 120.64 118.91 2jla n GLU 177 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2jla n GLU 177 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2jla n GLU 177 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 2jla n ASP 179 N 0.00 0.00 -1.50 4.31 5.68 -1.26 -4.57 116.55 119.21 2jla n ASP 179 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2jla n ASP 179 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2jla n ASP 179 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2jla n ASP 180 N 0.00 5.16 -4.70 -1.12 3.85 -1.26 -4.83 116.55 113.65 2jla n ASP 180 Ca 0.00 -2.37 -0.44 0.00 -0.71 0.00 0.00 54.79 51.28 2jla n ASP 180 Cb 0.00 -1.09 -0.03 0.00 -1.35 0.00 0.00 41.12 38.65 2jla n ASP 180 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 2jla n THR 181 N 1.48 0.01 -0.75 2.12 -1.04 -1.26 -2.85 114.28 111.99 2jla n THR 181 Ca 0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2jla n THR 181 Cb 0.49 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 2jla n THR 181 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jla n GLY 182 N 3.76 1.06 0.16 3.41 0.00 -1.26 -4.29 105.19 108.03 2jla n GLY 182 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 2jla n GLY 182 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jla h LEU 183 N 0.00 0.45 0.07 0.99 7.12 -1.91 0.17 115.31 122.21 2jla h LEU 183 Ca 0.00 -0.37 0.02 0.00 0.13 0.00 0.00 57.88 57.66 2jla h LEU 183 Cb 0.00 -0.12 -0.05 0.00 -0.53 0.00 0.00 40.66 39.96 2jla h LEU 183 CO 0.00 0.72 -0.35 -1.28 -0.13 0.00 0.00 178.44 177.40 2jla h SER 184 N 0.18 -1.02 -0.38 1.25 0.87 -1.91 -0.62 113.55 111.91 2jla h SER 184 Ca 0.06 0.12 0.08 0.00 -1.23 0.00 0.00 61.79 60.82 2jla h SER 184 Cb 0.53 0.39 -0.08 0.00 -0.44 0.00 0.00 62.40 62.80 2jla h SER 184 CO 0.02 -0.42 -0.18 -0.25 -0.53 0.00 0.00 176.83 175.48 2jla h TRP 185 N -0.55 -0.44 -0.44 2.24 7.01 -1.93 0.55 115.95 122.39 2jla h TRP 185 Ca 0.04 0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.13 2jla h TRP 185 Cb 0.60 0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.88 2jla h TRP 185 CO -0.33 -0.26 0.30 1.96 -2.79 0.00 0.00 178.44 177.32 2jla h GLN 186 N -0.11 0.38 0.00 2.65 4.20 -0.45 -2.97 115.11 118.82 2jla h GLN 186 Ca 0.19 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2jla h GLN 186 Cb 0.40 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2jla h GLN 186 CO -0.45 0.25 0.00 1.96 -0.67 0.00 0.00 178.83 179.92 2jla h GLN 187 N 0.39 0.00 0.00 1.46 4.20 0.73 -2.94 115.11 118.96 2jla h GLN 187 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2jla h GLN 187 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2jla h GLN 187 CO -0.05 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.65 2jla n ARG 188 N -2.92 0.00 0.02 1.46 1.74 -1.04 -0.40 116.66 115.52 2jla n ARG 188 Ca 0.03 0.46 0.13 0.00 -0.77 0.00 0.00 57.85 57.71 2jla n ARG 188 Cb 0.41 -1.50 0.49 0.00 -1.02 0.00 0.00 32.46 30.84 2jla n ARG 188 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2jla n LEU 189 N -1.48 0.27 0.00 0.55 4.77 -1.11 -4.98 117.00 115.01 2jla n LEU 189 Ca 0.00 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 2jla n LEU 189 Cb 0.01 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 2jla n LEU 189 CO 0.01 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2jla n GLY 190 N 1.46 2.40 0.00 -0.72 0.00 0.46 -3.04 105.19 105.75 2jla n GLY 190 Ca 0.06 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.79 2jla n GLY 190 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jla n ASP 191 N -0.25 0.00 -0.48 1.61 5.68 -1.26 -2.90 116.55 118.94 2jla n ASP 191 Ca 0.00 -0.63 0.39 0.00 -0.50 0.00 0.00 54.79 54.06 2jla n ASP 191 Cb 0.00 -0.08 0.70 0.00 -1.14 0.00 0.00 41.12 40.59 2jla n ASP 191 CO 0.00 0.00 0.00 -0.25 -1.33 0.00 0.00 177.20 175.62 2jla h TRP 192 N 0.00 0.32 0.00 2.11 7.01 -1.93 0.23 115.95 123.68 2jla h TRP 192 Ca 0.00 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.98 2jla h TRP 192 Cb 0.07 -0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 27.05 2jla h TRP 192 CO 0.00 -0.10 -0.15 -1.49 -2.79 0.00 0.00 178.44 173.91 2jla h TRP 193 N 0.08 0.00 -0.01 2.65 4.06 -1.78 -1.39 115.95 119.56 2jla h TRP 193 Ca 0.79 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.74 2jla h TRP 193 Cb 2.73 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.89 2jla h TRP 193 CO -0.00 0.15 -0.36 1.04 -3.56 0.00 0.00 178.44 175.70 2jla n GLN 194 N -4.13 1.12 -2.10 0.49 3.00 0.71 -4.96 117.38 111.50 2jla n GLN 194 Ca -0.02 -0.83 -0.27 0.00 -0.01 0.00 0.00 57.00 55.86 2jla n GLN 194 Cb 0.23 -1.48 0.08 0.00 0.00 0.00 0.00 30.24 29.06 2jla n GLN 194 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2jla s ASP 195 N -2.46 4.63 0.00 1.08 3.68 -0.52 -5.02 116.67 118.07 2jla s ASP 195 Ca 0.22 0.53 0.01 0.00 2.13 0.00 0.00 52.55 55.44 2jla s ASP 195 Cb 0.19 -1.10 0.01 0.00 -1.45 0.00 0.00 42.92 40.56 2jla s ASP 195 CO 0.54 -1.75 0.56 -0.90 0.13 0.00 0.00 175.17 173.75 2jla n ASP 196 N -3.08 1.14 -5.00 -0.34 5.75 -1.26 -5.01 116.55 108.75 2jla n ASP 196 Ca 0.08 -1.10 -0.18 0.00 -0.01 0.00 0.00 54.79 53.58 2jla n ASP 196 Cb 0.61 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 2jla n ASP 196 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2jla s LYS 197 N -0.13 2.98 0.61 0.11 1.02 -1.26 -4.78 119.74 118.28 2jla s LYS 197 Ca 0.01 -1.06 -0.10 0.00 0.02 0.00 0.00 55.97 54.84 2jla s LYS 197 Cb 0.01 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 2jla s LYS 197 CO 0.01 -0.12 1.01 -2.14 -0.92 0.00 0.00 175.35 173.19 2jla s PRO 198 N -4.29 3.56 0.08 -1.68 0.02 -1.26 -4.87 135.00 126.56 2jla s PRO 198 Ca 0.50 0.67 -0.28 0.00 0.02 0.00 0.00 61.00 61.91 2jla s PRO 198 Cb -0.10 -2.11 -0.16 0.00 0.02 0.00 0.00 34.50 32.15 2jla s PRO 198 CO 0.32 -0.55 1.68 2.35 -0.33 0.00 0.00 177.00 180.47 2jla h TRP 199 N -0.27 -0.45 -3.46 6.54 2.91 -1.95 -3.39 115.95 115.88 2jla h TRP 199 Ca -0.44 -0.01 -0.65 0.00 1.13 0.00 0.00 58.89 58.92 2jla h TRP 199 Cb 1.19 0.15 -0.26 0.00 -0.51 0.00 0.00 29.16 29.74 2jla h TRP 199 CO 0.64 -0.27 -0.69 -1.17 -1.03 0.00 0.00 178.44 175.92 2jla s LEU 200 N -10.14 3.09 -0.43 0.65 0.20 -1.26 -5.08 118.68 105.70 2jla s LEU 200 Ca -0.15 -0.31 -0.19 0.00 0.69 0.00 0.00 54.13 54.16 2jla s LEU 200 Cb 0.05 -1.79 0.02 0.00 -0.43 0.00 0.00 46.19 44.04 2jla s LEU 200 CO 0.64 -0.00 0.56 -0.13 -0.29 0.00 0.00 176.35 177.13 2jla s ARG 201 N 1.39 3.22 -0.36 1.98 0.52 -1.26 -4.74 118.95 119.69 2jla s ARG 201 Ca 0.05 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 2jla s ARG 201 Cb -0.15 -3.95 0.14 0.00 0.52 0.00 0.00 34.95 31.51 2jla s ARG 201 CO -0.00 -0.94 0.21 -2.00 0.02 0.00 0.00 175.30 172.58 2jla s GLU 202 N 2.56 0.67 -0.51 3.54 2.12 -1.26 -5.04 118.70 120.77 2jla s GLU 202 Ca 0.19 -1.41 0.06 0.00 0.36 0.00 0.00 54.97 54.17 2jla s GLU 202 Cb -0.15 -1.51 0.22 0.00 0.26 0.00 0.00 34.13 32.95 2jla s GLU 202 CO 0.17 -1.18 0.54 0.00 -0.54 0.00 0.00 175.26 174.24 2jla n ALA 203 N 4.04 3.12 -1.77 6.30 0.00 -1.26 -3.32 120.51 127.62 2jla n ALA 203 Ca 0.10 -3.88 -0.41 0.00 0.00 0.00 0.00 53.44 49.25 2jla n ALA 203 Cb 0.37 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 2jla n ALA 203 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jla s PRO 204 N -1.29 4.38 0.03 0.00 0.04 -1.26 -5.00 135.00 131.90 2jla s PRO 204 Ca 0.34 2.14 -0.23 0.00 0.04 0.00 0.00 61.00 63.29 2jla s PRO 204 Cb 0.10 -3.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.51 2jla s PRO 204 CO -0.11 -0.13 0.69 0.50 0.04 0.00 0.00 177.00 177.98 2jla s ARG 205 N -1.76 4.42 -0.32 4.56 3.52 -1.26 -4.97 118.95 123.14 2jla s ARG 205 Ca 0.49 0.93 -0.09 0.00 -0.13 0.00 0.00 55.73 56.92 2jla s ARG 205 Cb -0.38 -3.34 0.01 0.00 -1.56 0.00 0.00 34.95 29.67 2jla s ARG 205 CO 0.51 0.35 0.14 -1.17 -0.81 0.00 0.00 175.30 174.31 2jla s LEU 206 N -0.21 4.16 -0.27 -0.88 2.96 -1.26 -5.08 118.68 118.11 2jla s LEU 206 Ca 0.35 -0.72 -0.21 0.00 -0.22 0.00 0.00 54.13 53.33 2jla s LEU 206 Cb -0.20 -1.96 0.07 0.00 0.50 0.00 0.00 46.19 44.61 2jla s LEU 206 CO 0.21 -0.24 0.69 -0.70 -1.32 0.00 0.00 176.35 174.98 2jla s GLU 207 N 1.55 0.77 0.47 1.98 2.12 -1.26 -4.82 118.70 119.51 2jla s GLU 207 Ca 0.03 1.05 -0.22 0.00 0.36 0.00 0.00 54.97 56.20 2jla s GLU 207 Cb -0.18 0.30 -0.08 0.00 0.26 0.00 0.00 34.13 34.44 2jla s GLU 207 CO 0.05 -0.12 1.10 -1.12 -0.54 0.00 0.00 175.26 174.63 2jla s SER 208 N 0.81 6.24 0.95 -1.70 0.01 -0.21 -5.00 113.70 114.81 2jla s SER 208 Ca -0.04 2.12 -0.13 0.00 1.31 0.00 0.00 55.95 59.21 2jla s SER 208 Cb -0.05 -2.58 0.16 0.00 0.21 0.00 0.00 66.02 63.76 2jla s SER 208 CO -0.06 -0.86 1.15 -1.61 0.41 0.00 0.00 173.24 172.27 2jla s GLU 209 N -2.93 0.80 0.23 12.44 2.02 -1.26 -4.93 118.70 125.07 2jla s GLU 209 Ca 0.65 0.21 -0.31 0.00 0.02 0.00 0.00 54.97 55.54 2jla s GLU 209 Cb -0.23 -1.81 -0.11 0.00 0.10 0.00 0.00 34.13 32.08 2jla s GLU 209 CO 0.27 -2.41 1.62 0.21 0.02 0.00 0.00 175.26 174.97 2jla s LYS 210 N -5.32 4.16 -0.50 1.61 2.36 -1.26 -4.94 119.74 115.84 2jla s LYS 210 Ca 0.65 2.51 -0.28 0.00 -2.55 0.00 0.00 55.97 56.31 2jla s LYS 210 Cb -0.14 -3.08 0.02 0.00 -1.05 0.00 0.00 37.83 33.58 2jla s LYS 210 CO 0.54 -0.65 1.34 -0.65 1.55 0.00 0.00 175.35 177.48 2jla s GLN 211 N 0.48 3.48 0.25 4.03 -1.52 -1.26 -4.88 119.66 120.24 2jla s GLN 211 Ca 0.69 0.59 0.25 0.00 -1.95 0.00 0.00 55.36 54.94 2jla s GLN 211 Cb -0.47 -4.04 0.90 0.00 -0.22 0.00 0.00 33.01 29.17 2jla s GLN 211 CO 0.38 -1.70 1.75 0.00 -0.25 0.00 0.00 175.29 175.47 2jla h ARG 212 N 10.46 0.00 -0.66 2.91 3.08 -2.01 -2.06 114.38 126.10 2jla h ARG 212 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 2jla h ARG 212 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2jla h ARG 212 CO 1.14 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 179.64 2jla n ASP 213 N -2.30 3.95 -0.26 7.04 5.75 -1.26 -4.44 116.55 125.02 2jla n ASP 213 Ca 0.04 -2.19 0.07 0.00 -0.01 0.00 0.00 54.79 52.70 2jla n ASP 213 Cb 0.34 -0.50 0.31 0.00 -1.03 0.00 0.00 41.12 40.24 2jla n ASP 213 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 2jla h TRP 214 N 3.82 0.91 0.00 2.11 2.91 -1.78 -0.29 115.95 123.63 2jla h TRP 214 Ca 0.00 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.02 2jla h TRP 214 Cb 1.11 -0.29 -0.00 0.00 -0.51 0.00 0.00 29.16 29.46 2jla h TRP 214 CO 0.57 0.43 -0.10 0.27 -1.03 0.00 0.00 178.44 178.58 2jla h PHE 215 N 0.85 0.00 0.07 2.65 -0.00 -1.82 0.41 116.94 119.10 2jla h PHE 215 Ca 0.39 0.00 -0.14 0.00 -0.00 0.00 0.00 57.97 58.22 2jla h PHE 215 Cb 0.39 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.36 2jla h PHE 215 CO -0.00 0.10 -0.60 0.35 -0.00 0.00 0.00 178.31 178.15 2jla h PHE 216 N 0.00 0.47 -0.10 6.09 3.04 -1.42 -3.38 116.94 121.64 2jla h PHE 216 Ca -0.00 -0.31 -0.15 0.00 3.98 0.00 0.00 57.97 61.49 2jla h PHE 216 Cb 0.19 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 2jla h PHE 216 CO 0.00 1.19 -0.59 -1.49 -2.02 0.00 0.00 178.31 175.40 2jla h TRP 217 N -0.37 0.43 0.00 0.41 4.06 -0.77 -2.96 115.95 116.74 2jla h TRP 217 Ca -0.09 -0.16 0.00 0.00 2.06 0.00 0.00 58.89 60.70 2jla h TRP 217 Cb 1.40 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 29.49 2jla h TRP 217 CO 0.19 0.84 0.00 2.89 -3.56 0.00 0.00 178.44 178.80 2jla n ARG 218 N -3.90 0.13 0.01 0.49 1.85 0.09 -2.00 116.66 113.32 2jla n ARG 218 Ca -0.03 0.61 0.11 0.00 -1.00 0.00 0.00 57.85 57.54 2jla n ARG 218 Cb 0.61 -1.91 -0.06 0.00 -1.05 0.00 0.00 32.46 30.06 2jla n ARG 218 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2jla n GLN 219 N -2.18 0.23 -1.27 2.89 6.02 -1.12 -4.85 117.38 117.11 2jla n GLN 219 Ca -0.01 -0.04 -0.29 0.00 -0.01 0.00 0.00 57.00 56.65 2jla n GLN 219 Cb 0.04 -1.54 0.17 0.00 1.02 0.00 0.00 30.24 29.93 2jla n GLN 219 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2jla s LYS 220 N -3.17 0.48 -0.70 -1.09 -0.14 -0.85 -4.92 119.74 109.36 2jla s LYS 220 Ca 0.04 0.39 -0.26 0.00 -1.36 0.00 0.00 55.97 54.77 2jla s LYS 220 Cb 0.15 -1.75 -0.02 0.00 -1.68 0.00 0.00 37.83 34.53 2jla s LYS 220 CO 0.84 -2.67 1.78 1.03 -0.76 0.00 0.00 175.35 175.57 2jla s ARG 221 N -5.09 2.73 0.38 1.68 0.52 -1.26 -4.94 118.95 112.96 2jla s ARG 221 Ca 0.65 0.27 0.07 0.00 -0.52 0.00 0.00 55.73 56.21 2jla s ARG 221 Cb -0.17 -4.51 -0.01 0.00 0.52 0.00 0.00 34.95 30.78 2jla s ARG 221 CO 0.56 -2.74 0.43 0.20 0.02 0.00 0.00 175.30 173.77 2jla s GLY 222 N 7.36 1.86 -0.03 -3.53 0.00 -1.26 0.28 107.32 112.00 2jla s GLY 222 Ca 0.62 -1.66 0.03 0.00 0.00 0.00 0.00 44.72 43.71 2jla s GLY 222 CO 0.15 -1.53 -0.10 0.14 0.00 0.00 0.00 173.10 171.76 2jla s VAL 223 N -2.32 0.85 -0.26 1.40 1.01 -0.72 -4.14 120.40 116.23 2jla s VAL 223 Ca 0.47 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 2jla s VAL 223 Cb -0.07 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2jla s VAL 223 CO 0.30 0.26 0.12 -0.69 0.00 0.00 0.00 175.10 175.09 2jla s VAL 224 N 0.19 4.83 -0.13 2.92 1.01 0.17 -1.38 120.40 128.01 2jla s VAL 224 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 2jla s VAL 224 Cb -0.09 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2jla s VAL 224 CO 0.01 0.31 0.12 -0.69 0.00 0.00 0.00 175.10 174.85 2jla s VAL 225 N 1.53 5.32 -0.20 2.92 1.01 -0.94 -0.00 120.40 130.04 2jla s VAL 225 Ca 0.06 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 2jla s VAL 225 Cb -0.15 -3.32 0.06 0.00 0.00 0.00 0.00 36.38 32.96 2jla s VAL 225 CO 0.06 0.60 -0.00 0.00 0.00 0.00 0.00 175.10 175.76 2jla s ALA 226 N -0.83 1.37 0.09 5.51 0.00 0.02 -1.58 121.76 126.34 2jla s ALA 226 Ca 0.14 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2jla s ALA 226 Cb -0.12 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.75 2jla s ALA 226 CO 0.03 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.08 2jla n GLY 227 N 4.90 1.62 3.76 0.00 0.00 -0.11 -0.77 105.19 114.60 2jla n GLY 227 Ca -0.10 -1.68 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 2jla n GLY 227 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jla s ARG 228 N 3.36 4.42 0.53 1.61 3.52 -0.54 -3.14 118.95 128.71 2jla s ARG 228 Ca 0.00 1.90 -0.17 0.00 -0.13 0.00 0.00 55.73 57.33 2jla s ARG 228 Cb 0.00 -3.01 -0.07 0.00 -1.56 0.00 0.00 34.95 30.31 2jla s ARG 228 CO 0.00 -0.02 1.00 -1.54 -0.81 0.00 0.00 175.30 173.93 2jla s SER 230 N -0.87 6.43 0.21 -2.12 1.04 -1.26 -3.92 113.70 113.20 2jla s SER 230 Ca 0.49 1.66 -0.10 0.00 0.48 0.00 0.00 55.95 58.48 2jla s SER 230 Cb -0.33 -2.52 0.29 0.00 0.10 0.00 0.00 66.02 63.56 2jla s SER 230 CO 0.43 -0.72 1.71 0.00 0.98 0.00 0.00 173.24 175.64 2jla h ALA 231 N 0.92 0.72 -0.50 5.32 0.00 -1.88 0.14 119.26 123.98 2jla h ALA 231 Ca -0.47 0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 2jla h ALA 231 Cb 1.19 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2jla h ALA 231 CO 0.60 -0.30 -0.15 0.93 0.00 0.00 0.00 179.25 180.33 2jla h GLU 232 N 0.27 0.96 -0.93 0.00 4.39 -1.92 -2.43 114.58 114.92 2jla h GLU 232 Ca 0.31 -0.37 0.11 0.00 0.34 0.00 0.00 59.36 59.75 2jla h GLU 232 Cb 0.46 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 28.98 2jla h GLU 232 CO -0.39 1.03 0.56 0.93 -1.16 0.00 0.00 179.01 179.98 2jla h GLU 233 N 0.84 0.89 -0.75 2.33 5.08 -1.69 -2.37 114.58 118.92 2jla h GLU 233 Ca 0.12 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.53 2jla h GLU 233 Cb 0.70 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 2jla h GLU 233 CO 0.05 0.59 0.39 0.78 -1.00 0.00 0.00 179.01 179.83 2jla h GLY 234 N 0.92 1.14 1.03 -3.84 0.00 -0.26 -0.69 103.07 101.37 2jla h GLY 234 Ca 0.45 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 47.40 2jla h GLY 234 CO -0.25 0.08 -0.31 0.50 0.00 0.00 0.00 176.54 176.55 2jla h LYS 235 N 0.66 0.80 -0.45 4.80 1.57 -1.33 -2.92 116.57 119.71 2jla h LYS 235 Ca 0.37 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2jla h LYS 235 Cb 0.38 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2jla h LYS 235 CO -0.27 1.05 0.20 0.87 -0.57 0.00 0.00 179.45 180.73 2jla h LYS 236 N 0.58 0.65 -0.97 3.15 1.57 -1.01 -2.69 116.57 117.85 2jla h LYS 236 Ca 0.06 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2jla h LYS 236 Cb 0.89 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 33.04 2jla h LYS 236 CO 0.08 0.58 0.64 0.28 -0.57 0.00 0.00 179.45 180.46 2jla h VAL 237 N 0.58 1.25 -0.23 0.50 2.07 -1.16 -1.77 116.25 117.49 2jla h VAL 237 Ca 0.15 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2jla h VAL 237 Cb 0.15 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.73 2jla h VAL 237 CO -0.02 0.24 0.13 0.00 0.02 0.00 0.00 177.57 177.95 2jla h ALA 238 N 1.35 0.29 -0.43 1.67 0.00 -1.28 0.11 119.26 120.97 2jla h ALA 238 Ca 0.36 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2jla h ALA 238 Cb -0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2jla h ALA 238 CO -0.08 -0.19 -0.01 -0.07 0.00 0.00 0.00 179.25 178.91 2jla h LEU 239 N 0.26 0.75 0.21 0.00 3.38 -1.34 -1.41 115.31 117.17 2jla h LEU 239 Ca 0.08 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.75 2jla h LEU 239 Cb 0.05 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2jla h LEU 239 CO -0.01 0.88 -0.34 -0.25 0.09 0.00 0.00 178.44 178.80 2jla h TRP 240 N 0.60 -0.93 -0.35 1.13 7.01 -1.16 -0.32 115.95 121.92 2jla h TRP 240 Ca 0.12 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.18 2jla h TRP 240 Cb 0.50 0.38 -0.04 0.00 -2.10 0.00 0.00 29.16 27.90 2jla h TRP 240 CO 0.04 -0.46 0.12 0.00 -2.79 0.00 0.00 178.44 175.35 2jla h ALA 241 N -0.06 0.40 -0.21 2.65 0.00 -0.72 -2.02 119.26 119.31 2jla h ALA 241 Ca 0.01 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2jla h ALA 241 Cb 0.62 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 2jla h ALA 241 CO -0.14 -0.27 -0.26 0.37 0.00 0.00 0.00 179.25 178.95 2jla h GLN 242 N 0.27 -0.27 -0.54 0.00 4.15 -1.07 -0.93 115.11 116.71 2jla h GLN 242 Ca 0.16 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.70 2jla h GLN 242 Cb 0.13 0.06 -0.08 0.00 0.21 0.00 0.00 27.48 27.80 2jla h GLN 242 CO -0.16 -0.18 0.07 1.15 -1.93 0.00 0.00 178.83 177.78 2jla h THR 243 N -0.28 0.64 -0.11 2.39 2.02 -0.44 0.66 112.91 117.78 2jla h THR 243 Ca 0.12 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 2jla h THR 243 Cb 0.47 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2jla h THR 243 CO -0.37 0.04 0.03 -0.07 0.37 0.00 0.00 175.52 175.52 2jla h LEU 244 N 0.19 0.13 0.00 2.58 3.38 -0.69 -1.79 115.31 119.12 2jla h LEU 244 Ca 0.28 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2jla h LEU 244 Cb 0.41 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2jla h LEU 244 CO -0.40 0.14 0.00 0.61 0.09 0.00 0.00 178.44 178.88 2jla n GLY 245 N -1.41 0.61 3.75 0.83 0.00 0.22 -4.19 105.19 105.00 2jla n GLY 245 Ca -0.01 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 2jla n GLY 245 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jla s TRP 246 N -2.00 3.83 0.34 1.61 0.52 -1.12 -3.44 118.94 118.68 2jla s TRP 246 Ca 0.00 1.62 -0.29 0.00 0.02 0.00 0.00 56.10 57.45 2jla s TRP 246 Cb 0.00 -2.86 -0.11 0.00 -1.15 0.00 0.00 33.47 29.35 2jla s TRP 246 CO 0.00 0.35 1.52 -1.25 0.02 0.00 0.00 176.95 177.59 2jla s PRO 247 N -0.49 4.13 -0.26 4.98 0.04 -1.26 -4.54 135.00 137.61 2jla s PRO 247 Ca 0.39 2.55 -0.05 0.00 0.04 0.00 0.00 61.00 63.93 2jla s PRO 247 Cb -0.22 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2jla s PRO 247 CO 0.26 -0.55 0.02 -1.17 0.04 0.00 0.00 177.00 175.60 2jla s LEU 248 N -1.40 3.40 -0.47 -3.56 2.96 -1.26 -0.66 118.68 117.69 2jla s LEU 248 Ca 0.57 -0.57 -0.18 0.00 -0.22 0.00 0.00 54.13 53.73 2jla s LEU 248 Cb -0.47 -1.81 0.05 0.00 0.50 0.00 0.00 46.19 44.47 2jla s LEU 248 CO 0.56 -0.11 0.53 -0.63 -1.32 0.00 0.00 176.35 175.38 2jla s ILE 249 N 1.48 5.01 -0.19 6.68 1.01 1.00 -4.20 121.20 131.99 2jla s ILE 249 Ca 0.04 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 60.05 2jla s ILE 249 Cb -0.16 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 2jla s ILE 249 CO -0.00 -0.65 0.08 -0.83 0.00 0.00 0.00 174.94 173.54 2jla s GLY 250 N 2.41 1.93 0.75 6.18 0.00 -1.26 -0.80 107.32 116.53 2jla s GLY 250 Ca 0.12 -0.74 -0.11 0.00 0.00 0.00 0.00 44.72 43.98 2jla s GLY 250 CO 0.11 0.09 1.09 -0.35 0.00 0.00 0.00 173.10 174.04 2jla s ASP 251 N 0.40 4.94 0.33 1.64 2.15 0.05 -4.90 116.67 121.28 2jla s ASP 251 Ca 0.04 1.31 0.10 0.00 0.43 0.00 0.00 52.55 54.44 2jla s ASP 251 Cb -0.12 -2.10 0.90 0.00 -0.30 0.00 0.00 42.92 41.30 2jla s ASP 251 CO -0.00 -1.69 1.74 -0.37 -0.17 0.00 0.00 175.17 174.69 2jla h VAL 252 N -0.89 0.56 0.00 1.11 -1.51 -1.89 -1.67 116.25 111.95 2jla h VAL 252 Ca -0.46 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 2jla h VAL 252 Cb 1.25 -0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 2jla h VAL 252 CO 0.60 0.11 0.00 0.18 -1.23 0.00 0.00 177.57 177.23 2jla n LEU 253 N -4.82 0.00 -0.02 4.19 4.77 -1.26 -3.98 117.00 115.88 2jla n LEU 253 Ca 0.26 0.44 -0.14 0.00 -0.03 0.00 0.00 56.01 56.54 2jla n LEU 253 Cb 0.74 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 2jla n LEU 253 CO 0.19 -0.05 0.37 0.77 -1.33 0.00 0.00 177.39 177.34 2jla h SER 254 N 0.00 0.82 -1.80 -1.43 4.64 -1.24 -3.39 113.55 111.16 2jla h SER 254 Ca 0.00 -0.49 -0.39 0.00 -0.47 0.00 0.00 61.79 60.44 2jla h SER 254 Cb 0.39 -0.24 -0.09 0.00 -0.31 0.00 0.00 62.40 62.15 2jla h SER 254 CO 0.00 1.26 -0.43 0.00 -0.87 0.00 0.00 176.83 176.80 2jla n GLN 255 N -3.95 -1.45 0.23 4.77 6.02 -1.26 -3.91 117.38 117.83 2jla n GLN 255 Ca -0.05 1.07 0.14 0.00 -0.01 0.00 0.00 57.00 58.15 2jla n GLN 255 Cb 0.68 -5.52 0.35 0.00 1.02 0.00 0.00 30.24 26.76 2jla n GLN 255 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 2jla h THR 256 N 0.00 0.00 0.00 5.09 1.35 -1.87 0.31 112.91 117.79 2jla h THR 256 Ca -0.43 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 2jla h THR 256 Cb 1.30 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 2jla h THR 256 CO 0.57 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 2jla n GLY 257 N 0.76 2.78 2.98 5.82 0.00 -1.25 -4.50 105.19 111.78 2jla n GLY 257 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 2jla n GLY 257 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jla n GLN 258 N -2.00 -1.76 0.19 1.61 6.02 -1.26 -4.62 117.38 115.56 2jla n GLN 258 Ca 0.00 0.90 0.18 0.00 -0.01 0.00 0.00 57.00 58.06 2jla n GLN 258 Cb 0.00 -5.24 0.82 0.00 1.02 0.00 0.00 30.24 26.84 2jla n GLN 258 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2jla h PRO 259 N -0.62 0.00 -2.97 -1.09 0.13 -1.84 -2.93 132.00 122.67 2jla h PRO 259 Ca -0.41 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.08 2jla h PRO 259 Cb 1.21 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.94 2jla h PRO 259 CO 0.35 0.00 -0.42 1.28 -0.23 0.00 0.00 178.00 178.98 2jla n LEU 260 N -3.72 3.55 -4.70 1.56 4.77 -1.26 -5.00 117.00 112.19 2jla n LEU 260 Ca 0.03 -5.24 -0.29 0.00 -0.03 0.00 0.00 56.01 50.48 2jla n LEU 260 Cb 0.39 -0.84 0.16 0.00 -2.33 0.00 0.00 43.42 40.80 2jla n LEU 260 CO 0.26 1.77 0.66 -2.16 -1.33 0.00 0.00 177.39 176.59 2jla s PRO 261 N -1.68 0.64 -1.47 3.23 0.04 -1.11 -3.99 135.00 130.66 2jla s PRO 261 Ca 0.28 0.48 -0.10 0.00 0.04 0.00 0.00 61.00 61.70 2jla s PRO 261 Cb -0.01 -1.76 0.06 0.00 0.04 0.00 0.00 34.50 32.82 2jla s PRO 261 CO -0.12 -2.58 0.94 0.00 0.04 0.00 0.00 177.00 175.27 2jla h ALA 263 N 0.95 0.96 -0.14 0.00 0.00 -1.82 0.16 119.26 119.36 2jla h ALA 263 Ca -0.59 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.44 2jla h ALA 263 Cb 1.37 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2jla h ALA 263 CO 0.64 -0.14 0.10 0.22 0.00 0.00 0.00 179.25 180.07 2jla h ASP 264 N 0.50 0.02 0.02 0.00 -0.00 -1.86 0.16 116.42 115.25 2jla h ASP 264 Ca 0.36 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.39 2jla h ASP 264 Cb 0.46 -0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.79 2jla h ASP 264 CO -0.33 0.01 -0.01 -0.07 -0.00 0.00 0.00 179.24 178.85 2jla h LEU 265 N 0.02 -0.02 -1.99 2.28 3.38 -1.54 -3.39 115.31 114.04 2jla h LEU 265 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2jla h LEU 265 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2jla h LEU 265 CO -0.00 0.10 -0.02 4.11 0.09 0.00 0.00 178.44 182.71 2jla h TRP 266 N -0.24 0.00 0.00 1.13 5.08 -0.54 -1.39 115.95 119.99 2jla h TRP 266 Ca -0.00 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.96 2jla h TRP 266 Cb 0.02 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.18 2jla h TRP 266 CO 0.01 0.02 -0.02 -0.07 -1.28 0.00 0.00 178.44 177.10 2jla h LEU 267 N 0.00 0.00 0.00 0.11 3.38 -0.91 0.33 115.31 118.22 2jla h LEU 267 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jla h LEU 267 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2jla h LEU 267 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2jla n GLY 268 N -0.95 -0.94 3.73 0.83 0.00 -0.52 -4.53 105.19 102.81 2jla n GLY 268 Ca -0.02 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 2jla n GLY 268 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jla s ASN 269 N -2.14 6.27 0.27 1.61 3.84 0.10 -4.72 114.94 120.17 2jla s ASN 269 Ca 0.37 0.30 -0.02 0.00 0.21 0.00 0.00 52.86 53.72 2jla s ASN 269 Cb 0.19 -2.11 0.40 0.00 -0.55 0.00 0.00 41.25 39.18 2jla s ASN 269 CO 0.34 0.16 1.91 0.00 -2.79 0.00 0.00 177.10 176.72 2jla h ALA 270 N 6.67 1.40 -0.93 1.71 0.00 -1.86 -0.46 119.26 125.79 2jla h ALA 270 Ca -0.41 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.57 2jla h ALA 270 Cb 1.15 -0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 2jla h ALA 270 CO 0.76 0.49 0.57 0.87 0.00 0.00 0.00 179.25 181.94 2jla h LYS 271 N 1.19 0.90 0.02 0.00 1.57 -1.93 0.05 116.57 118.35 2jla h LYS 271 Ca 0.39 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 2jla h LYS 271 Cb 0.06 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2jla h LYS 271 CO -0.13 0.59 -0.01 0.00 -0.57 0.00 0.00 179.45 179.33 2jla h ALA 272 N 1.50 -0.02 -0.22 3.86 0.00 -1.38 -2.49 119.26 120.51 2jla h ALA 272 Ca 0.45 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2jla h ALA 272 Cb 0.42 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2jla h ALA 272 CO -0.25 -0.25 -0.11 1.79 0.00 0.00 0.00 179.25 180.42 2jla h THR 273 N -0.55 1.20 0.00 0.00 1.35 -1.09 -1.91 112.91 111.91 2jla h THR 273 Ca -0.00 -0.87 -0.20 0.00 -0.55 0.00 0.00 66.41 64.79 2jla h THR 273 Cb 0.52 1.16 -0.03 0.00 -1.73 0.00 0.00 68.15 68.08 2jla h THR 273 CO 0.00 0.28 -0.94 0.77 -0.25 0.00 0.00 175.52 175.39 2jla h SER 274 N 0.34 0.00 -0.66 5.36 4.64 -1.08 -3.05 113.55 119.10 2jla h SER 274 Ca 0.07 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 2jla h SER 274 Cb 0.41 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 2jla h SER 274 CO 0.02 0.94 0.31 -0.08 -0.87 0.00 0.00 176.83 177.15 2jla h GLU 275 N 0.00 0.96 0.00 4.77 4.81 -0.94 -2.56 114.58 121.62 2jla h GLU 275 Ca -0.01 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2jla h GLU 275 Cb 1.70 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.91 2jla h GLU 275 CO 0.12 0.78 0.00 1.28 -0.73 0.00 0.00 179.01 180.46 2jla n LEU 276 N -4.45 0.57 0.17 1.64 4.77 -0.77 -2.45 117.00 116.47 2jla n LEU 276 Ca 0.05 0.65 0.13 0.00 -0.03 0.00 0.00 56.01 56.81 2jla n LEU 276 Cb 0.14 -0.59 0.60 0.00 -2.33 0.00 0.00 43.42 41.23 2jla n LEU 276 CO 0.39 -0.57 0.89 1.56 -1.33 0.00 0.00 177.39 178.32 2jla h GLN 277 N 0.00 0.00 0.00 3.23 4.20 -1.35 -1.45 115.11 119.75 2jla h GLN 277 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2jla h GLN 277 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 2jla h GLN 277 CO 0.00 0.00 -0.05 1.04 -0.67 0.00 0.00 178.83 179.15 2jla n GLN 278 N -2.40 0.00 -2.06 1.46 6.02 -1.03 -4.86 117.38 114.52 2jla n GLN 278 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 2jla n GLN 278 Cb 0.16 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 29.89 2jla n GLN 278 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jla s ALA 279 N -3.00 3.64 -0.06 -1.58 0.00 -0.55 -4.81 121.76 115.40 2jla s ALA 279 Ca 0.14 1.04 -0.16 0.00 0.00 0.00 0.00 51.96 52.98 2jla s ALA 279 Cb 0.19 -3.66 -0.30 0.00 0.00 0.00 0.00 23.12 19.35 2jla s ALA 279 CO 0.55 -1.05 0.73 1.96 0.00 0.00 0.00 175.76 177.95 2jla h GLN 280 N 8.21 0.35 -5.64 0.00 4.20 -0.50 -3.41 115.11 118.32 2jla h GLN 280 Ca -0.40 -0.59 -0.51 0.00 0.06 0.00 0.00 58.65 57.21 2jla h GLN 280 Cb 1.19 0.22 -0.26 0.00 0.30 0.00 0.00 27.48 28.93 2jla h GLN 280 CO 0.92 1.28 -0.82 -1.50 -0.67 0.00 0.00 178.83 178.05 2jla s ILE 281 N -2.51 1.35 -0.17 2.54 2.07 -1.12 0.13 121.20 123.49 2jla s ILE 281 Ca -0.16 -1.02 0.01 0.00 -1.41 0.00 0.00 60.65 58.08 2jla s ILE 281 Cb 0.04 -1.18 0.02 0.00 0.13 0.00 0.00 42.46 41.46 2jla s ILE 281 CO 0.83 0.15 -0.19 -0.69 -1.91 0.00 0.00 174.94 173.12 2jla s VAL 282 N -0.74 1.98 -0.34 4.00 1.01 -0.95 -1.75 120.40 123.60 2jla s VAL 282 Ca 0.05 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 2jla s VAL 282 Cb -0.08 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.55 2jla s VAL 282 CO 0.01 0.53 0.11 -0.69 0.00 0.00 0.00 175.10 175.06 2jla s VAL 283 N 1.25 3.78 -0.19 2.92 1.01 -0.48 -0.26 120.40 128.43 2jla s VAL 283 Ca 0.03 -1.16 -0.06 0.00 0.00 0.00 0.00 61.98 60.79 2jla s VAL 283 Cb -0.13 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 2jla s VAL 283 CO -0.11 -0.20 0.02 -1.58 0.00 0.00 0.00 175.10 173.23 2jla s GLN 284 N 1.40 3.76 -0.03 2.72 0.74 -0.06 -2.21 119.66 125.98 2jla s GLN 284 Ca -0.01 -0.45 0.03 0.00 0.05 0.00 0.00 55.36 54.97 2jla s GLN 284 Cb -0.20 -3.10 -0.03 0.00 1.10 0.00 0.00 33.01 30.78 2jla s GLN 284 CO 0.03 0.15 -0.09 -0.51 -0.55 0.00 0.00 175.29 174.32 2jla s LEU 285 N 0.66 3.05 0.27 3.68 1.02 -0.61 -1.20 118.68 125.54 2jla s LEU 285 Ca 0.01 -0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.02 2jla s LEU 285 Cb -0.14 -1.70 0.00 0.00 0.02 0.00 0.00 46.19 44.37 2jla s LEU 285 CO 0.02 0.32 0.00 0.61 0.02 0.00 0.00 176.35 177.32 2jla n GLY 286 N 1.92 -2.07 0.00 -3.19 0.00 -0.14 -0.94 105.19 100.77 2jla n GLY 286 Ca -0.17 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2jla n GLY 286 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jla n SER 287 N -3.42 0.01 -4.08 1.61 3.41 -1.25 -4.30 113.62 105.60 2jla n SER 287 Ca -0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.28 2jla n SER 287 Cb 0.43 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 2jla n SER 287 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jla n SER 288 N 0.00 -1.09 -4.74 4.04 7.64 -1.26 -1.46 113.62 116.74 2jla n SER 288 Ca 0.00 -1.16 -0.42 0.00 1.01 0.00 0.00 58.87 58.30 2jla n SER 288 Cb 0.00 -2.31 -0.02 0.00 -1.01 0.00 0.00 64.21 60.87 2jla n SER 288 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jla s LEU 289 N -7.16 4.35 0.00 -3.43 1.02 -1.26 -4.76 118.68 107.44 2jla s LEU 289 Ca 0.14 2.95 0.00 0.00 0.02 0.00 0.00 54.13 57.24 2jla s LEU 289 Cb -0.07 -3.63 0.00 0.00 0.02 0.00 0.00 46.19 42.52 2jla s LEU 289 CO 0.94 -0.95 0.00 0.41 0.02 0.00 0.00 176.35 176.77 2jla n THR 290 N 2.67 0.00 -1.53 5.49 -1.04 -1.26 -4.89 114.28 113.72 2jla n THR 290 Ca 0.10 0.12 -0.37 0.00 -2.04 0.00 0.00 64.05 61.86 2jla n THR 290 Cb 0.37 -0.40 0.06 0.00 -1.82 0.00 0.00 70.33 68.54 2jla n THR 290 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jla n GLY 291 N 2.37 -0.48 0.20 3.41 0.00 -1.26 -4.81 105.19 104.61 2jla n GLY 291 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 2jla n GLY 291 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jla h LYS 292 N 0.20 0.58 -0.14 1.61 1.79 -1.94 -1.70 116.57 116.97 2jla h LYS 292 Ca -0.48 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 57.87 2jla h LYS 292 Cb 1.36 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.87 2jla h LYS 292 CO 0.49 0.39 -0.29 0.00 -1.08 0.00 0.00 179.45 178.96 2jla h ARG 293 N 0.60 0.25 -0.12 3.15 -0.00 -1.92 0.21 114.38 116.55 2jla h ARG 293 Ca 0.18 -0.09 -0.10 0.00 -0.50 0.00 0.00 59.98 59.47 2jla h ARG 293 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 29.93 2jla h ARG 293 CO -0.07 0.53 -0.30 1.25 0.00 0.00 0.00 179.97 181.38 2jla h LEU 294 N 0.23 0.48 -0.31 3.04 5.85 -1.84 -0.52 115.31 122.24 2jla h LEU 294 Ca 0.03 -0.58 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 2jla h LEU 294 Cb 0.63 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2jla h LEU 294 CO 0.05 0.97 0.16 -0.07 -0.34 0.00 0.00 178.44 179.21 2jla h LEU 295 N 0.01 0.39 -0.42 2.25 3.38 -0.99 -0.84 115.31 119.09 2jla h LEU 295 Ca -0.00 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 2jla h LEU 295 Cb 0.91 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2jla h LEU 295 CO 0.07 0.38 -0.02 1.56 0.09 0.00 0.00 178.44 180.51 2jla h GLN 296 N 0.38 0.75 -0.24 1.13 4.20 -0.63 0.33 115.11 121.03 2jla h GLN 296 Ca 0.11 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.57 2jla h GLN 296 Cb 0.08 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2jla h GLN 296 CO -0.02 0.84 0.15 2.35 -0.67 0.00 0.00 178.83 181.49 2jla h TRP 297 N 0.59 0.28 -0.40 2.96 7.01 -1.09 -2.36 115.95 122.94 2jla h TRP 297 Ca 0.12 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.15 2jla h TRP 297 Cb 0.52 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.45 2jla h TRP 297 CO 0.04 0.18 0.20 0.37 -2.79 0.00 0.00 178.44 176.44 2jla h GLN 298 N 0.31 0.39 0.00 2.65 -0.00 -0.58 0.29 115.11 118.17 2jla h GLN 298 Ca 0.09 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.71 2jla h GLN 298 Cb -0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 27.48 27.36 2jla h GLN 298 CO -0.03 0.26 -0.04 0.00 0.00 0.00 0.00 178.83 179.03 2jla h ALA 299 N 1.21 1.05 0.00 3.38 0.00 -0.25 -3.17 119.26 121.49 2jla h ALA 299 Ca 0.17 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2jla h ALA 299 Cb 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2jla h ALA 299 CO -0.12 0.05 -1.77 -1.13 0.00 0.00 0.00 179.25 176.28 2jla n SER 300 N -3.20 1.63 -4.77 0.00 3.41 -0.61 -4.92 113.62 105.16 2jla n SER 300 Ca -0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.28 2jla n SER 300 Cb 0.24 1.38 0.07 0.00 -0.26 0.00 0.00 64.21 65.64 2jla n SER 300 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jla n GLU 302 N -3.04 1.60 -1.50 0.00 1.02 -1.26 -5.01 120.64 112.45 2jla n GLU 302 Ca 0.10 -3.81 -0.29 0.00 -0.02 0.00 0.00 57.16 53.13 2jla n GLU 302 Cb 0.52 -1.81 0.19 0.00 -0.02 0.00 0.00 31.44 30.32 2jla n GLU 302 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2jla s PRO 303 N -2.55 0.19 -0.01 3.49 0.04 -1.26 -4.97 135.00 129.93 2jla s PRO 303 Ca 0.42 -0.03 -0.25 0.00 0.04 0.00 0.00 61.00 61.17 2jla s PRO 303 Cb 0.30 -1.76 -0.19 0.00 0.04 0.00 0.00 34.50 32.89 2jla s PRO 303 CO -0.10 -2.77 1.28 1.49 0.04 0.00 0.00 177.00 176.94 2jla h GLU 304 N -1.91 -0.08 -5.30 4.56 4.81 0.80 -3.45 114.58 114.02 2jla h GLU 304 Ca -0.47 0.01 -0.39 0.00 -0.13 0.00 0.00 59.36 58.37 2jla h GLU 304 Cb 1.29 0.02 -0.19 0.00 0.63 0.00 0.00 28.75 30.50 2jla h GLU 304 CO 0.46 0.33 -0.76 -1.21 -0.73 0.00 0.00 179.01 177.10 2jla s GLU 305 N -4.46 0.93 -0.12 1.92 2.02 -1.22 -4.74 118.70 113.02 2jla s GLU 305 Ca -0.15 -1.15 0.02 0.00 0.02 0.00 0.00 54.97 53.71 2jla s GLU 305 Cb 0.02 -0.80 0.02 0.00 0.10 0.00 0.00 34.13 33.46 2jla s GLU 305 CO 0.64 0.16 -0.16 -0.47 0.02 0.00 0.00 175.26 175.45 2jla s TYR 306 N -1.98 2.11 -0.06 1.61 5.04 0.21 -2.24 117.35 122.04 2jla s TYR 306 Ca 0.05 -1.04 0.01 0.00 -2.44 0.00 0.00 57.07 53.66 2jla s TYR 306 Cb -0.06 -1.51 -0.03 0.00 0.35 0.00 0.00 41.96 40.71 2jla s TYR 306 CO 0.02 -0.53 -0.07 -1.58 -1.34 0.00 0.00 175.55 172.05 2jla s TRP 307 N 1.05 2.92 -0.25 4.97 0.52 0.64 -1.01 118.94 127.79 2jla s TRP 307 Ca -0.05 0.01 0.00 0.00 0.02 0.00 0.00 56.10 56.09 2jla s TRP 307 Cb -0.15 -1.69 0.07 0.00 -1.15 0.00 0.00 33.47 30.55 2jla s TRP 307 CO -0.03 0.34 -0.01 0.42 0.02 0.00 0.00 176.95 177.69 2jla s ILE 308 N -0.84 1.38 -0.33 2.03 1.01 -0.84 -0.88 121.20 122.74 2jla s ILE 308 Ca 0.13 -1.29 -0.20 0.00 0.00 0.00 0.00 60.65 59.29 2jla s ILE 308 Cb -0.11 -1.78 -0.00 0.00 0.01 0.00 0.00 42.46 40.58 2jla s ILE 308 CO 0.02 -0.26 0.63 -0.69 0.00 0.00 0.00 174.94 174.64 2jla s VAL 309 N 1.43 4.92 0.10 2.92 1.01 -0.34 -0.98 120.40 129.46 2jla s VAL 309 Ca -0.01 0.73 -0.19 0.00 0.00 0.00 0.00 61.98 62.51 2jla s VAL 309 Cb -0.18 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.21 2jla s VAL 309 CO -0.10 -0.22 0.46 -0.62 0.00 0.00 0.00 175.10 174.62 2jla s ASP 310 N 1.71 -0.34 0.34 3.32 -1.08 -0.80 -0.96 116.67 118.86 2jla s ASP 310 Ca 0.25 -0.11 0.25 0.00 -0.52 0.00 0.00 52.55 52.42 2jla s ASP 310 Cb -0.15 0.49 0.66 0.00 -1.46 0.00 0.00 42.92 42.47 2jla s ASP 310 CO 0.13 -0.81 1.72 -2.24 0.52 0.00 0.00 175.17 174.49 2jla h ASP 311 N 2.50 0.00 -3.74 -0.34 3.04 -1.62 -1.61 116.42 114.65 2jla h ASP 311 Ca -0.33 0.00 -0.45 0.00 -3.24 0.00 0.00 57.03 53.01 2jla h ASP 311 Cb 1.25 0.00 0.13 0.00 -1.04 0.00 0.00 39.33 39.67 2jla h ASP 311 CO 0.44 0.00 0.35 0.27 -2.04 0.00 0.00 179.24 178.26 2jla s ILE 312 N -3.20 2.05 0.45 4.15 -4.36 -1.26 -4.69 121.20 114.33 2jla s ILE 312 Ca 0.08 -0.13 0.07 0.00 -0.26 0.00 0.00 60.65 60.41 2jla s ILE 312 Cb 0.09 -2.92 -0.01 0.00 1.25 0.00 0.00 42.46 40.87 2jla s ILE 312 CO 0.61 0.00 0.39 -1.61 0.24 0.00 0.00 174.94 174.57 2jla s GLU 313 N -5.66 2.46 0.00 0.37 2.02 -1.26 -4.76 118.70 111.86 2jla s GLU 313 Ca 0.70 -1.64 0.00 0.00 0.02 0.00 0.00 54.97 54.05 2jla s GLU 313 Cb -0.06 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.85 2jla s GLU 313 CO 0.50 -0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.90 2jla n GLY 314 N -1.60 -2.18 3.77 -1.39 0.00 -1.26 -4.90 105.19 97.63 2jla n GLY 314 Ca 0.03 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 2jla n GLY 314 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jla s ARG 315 N -2.46 4.07 0.00 1.61 0.52 -1.26 -4.94 118.95 116.49 2jla s ARG 315 Ca 0.00 2.44 0.00 0.00 -0.52 0.00 0.00 55.73 57.65 2jla s ARG 315 Cb 0.00 -2.92 0.00 0.00 0.52 0.00 0.00 34.95 32.55 2jla s ARG 315 CO 0.00 -0.51 0.00 1.28 0.02 0.00 0.00 175.30 176.09 2jla n LEU 316 N 0.39 0.00 -4.50 2.53 4.77 -1.26 -4.98 117.00 113.94 2jla n LEU 316 Ca 0.02 -0.31 -0.43 0.00 -0.03 0.00 0.00 56.01 55.25 2jla n LEU 316 Cb 0.40 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 2jla n LEU 316 CO 0.61 0.00 0.56 -0.62 -1.33 0.00 0.00 177.39 176.62 2jla s ASP 317 N -0.79 6.31 0.00 -1.43 -1.08 -1.26 -4.92 116.67 113.50 2jla s ASP 317 Ca 0.00 -0.51 0.24 0.00 -0.52 0.00 0.00 52.55 51.76 2jla s ASP 317 Cb 0.00 -2.37 1.29 0.00 -1.46 0.00 0.00 42.92 40.38 2jla s ASP 317 CO 0.00 -1.05 1.79 -2.65 0.52 0.00 0.00 175.17 173.79 2jla n PRO 318 N 6.86 0.50 0.00 4.34 -0.02 -1.26 -1.64 135.00 143.79 2jla n PRO 318 Ca -0.01 0.04 0.08 0.00 -2.02 0.00 0.00 63.50 61.58 2jla n PRO 318 Cb 0.47 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.45 2jla n PRO 318 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jla n ALA 319 N -1.17 3.13 -3.26 3.55 0.00 -1.26 -5.01 120.51 116.48 2jla n ALA 319 Ca 0.14 -0.53 -0.17 0.00 0.00 0.00 0.00 53.44 52.88 2jla n ALA 319 Cb 0.15 -0.55 0.06 0.00 0.00 0.00 0.00 19.45 19.11 2jla n ALA 319 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2jla n HIS 320 N -0.11 -2.03 -2.07 0.00 8.25 -0.65 -4.96 115.22 113.65 2jla n HIS 320 Ca 0.06 0.73 -0.36 0.00 -0.26 0.00 0.00 57.72 57.89 2jla n HIS 320 Cb 0.33 -3.96 0.02 0.00 1.12 0.00 0.00 29.99 27.51 2jla n HIS 320 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jla s HIS 321 N -3.23 2.48 0.29 4.41 3.76 -1.26 -4.98 115.29 116.77 2jla s HIS 321 Ca 0.38 1.51 -0.30 0.00 -0.15 0.00 0.00 55.06 56.50 2jla s HIS 321 Cb -0.17 -3.46 -0.12 0.00 1.11 0.00 0.00 32.58 29.94 2jla s HIS 321 CO 0.53 -2.08 1.60 -2.13 -0.85 0.00 0.00 174.74 171.80 2jla n ARG 322 N -1.37 2.70 0.00 1.40 0.63 -1.26 -4.81 116.66 113.95 2jla n ARG 322 Ca 0.12 0.96 0.00 0.00 -0.92 0.00 0.00 57.85 58.01 2jla n ARG 322 Cb 0.49 -2.74 0.00 0.00 0.45 0.00 0.00 32.46 30.66 2jla n ARG 322 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jla n GLY 323 N 2.15 -0.38 3.11 5.14 0.00 -1.26 -0.62 105.19 113.33 2jla n GLY 323 Ca 0.08 -0.66 -0.17 0.00 0.00 0.00 0.00 46.02 45.28 2jla n GLY 323 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jla s ARG 324 N -2.00 0.71 -0.23 1.61 0.52 -0.18 -4.88 118.95 114.50 2jla s ARG 324 Ca 0.00 -0.79 0.02 0.00 -0.52 0.00 0.00 55.73 54.44 2jla s ARG 324 Cb 0.00 -0.63 0.04 0.00 0.52 0.00 0.00 34.95 34.89 2jla s ARG 324 CO 0.00 0.14 -0.13 0.50 0.02 0.00 0.00 175.30 175.83 2jla s ARG 325 N -1.44 2.56 -0.28 3.54 6.06 -1.26 -1.98 118.95 126.16 2jla s ARG 325 Ca -0.04 -1.13 -0.01 0.00 -2.50 0.00 0.00 55.73 52.05 2jla s ARG 325 Cb -0.09 -2.80 0.05 0.00 0.06 0.00 0.00 34.95 32.17 2jla s ARG 325 CO 0.01 -0.43 -0.04 -0.51 -2.50 0.00 0.00 175.30 171.83 2jla s LEU 326 N 1.19 3.57 -0.45 -0.88 1.43 -0.15 -4.98 118.68 118.41 2jla s LEU 326 Ca -0.03 -1.18 -0.26 0.00 -1.03 0.00 0.00 54.13 51.62 2jla s LEU 326 Cb -0.17 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.41 2jla s LEU 326 CO -0.08 -0.20 0.98 -0.63 0.23 0.00 0.00 176.35 176.65 2jla s ILE 327 N 1.24 4.43 0.14 -0.59 -1.09 -1.26 -1.90 121.20 122.17 2jla s ILE 327 Ca -0.04 0.93 -0.24 0.00 -2.23 0.00 0.00 60.65 59.06 2jla s ILE 327 Cb -0.19 -4.46 0.07 0.00 -1.58 0.00 0.00 42.46 36.30 2jla s ILE 327 CO -0.03 -0.83 0.72 0.00 -1.23 0.00 0.00 174.94 173.57 2jla s ALA 328 N 3.88 -1.60 -0.01 9.38 0.00 -0.61 -1.04 121.76 131.76 2jla s ALA 328 Ca 0.40 0.46 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 2jla s ALA 328 Cb -0.10 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 2jla s ALA 328 CO 0.26 -0.81 1.21 1.21 0.00 0.00 0.00 175.76 177.63 2jla s ASN 329 N -2.73 7.05 0.16 0.00 3.84 -1.26 -1.68 114.94 120.32 2jla s ASN 329 Ca 0.04 1.90 -0.15 0.00 0.21 0.00 0.00 52.86 54.86 2jla s ASN 329 Cb -0.02 -2.57 0.03 0.00 -0.55 0.00 0.00 41.25 38.15 2jla s ASN 329 CO -0.08 -0.55 1.78 0.40 -2.79 0.00 0.00 177.10 175.87 2jla h ILE 330 N 4.83 1.14 -0.25 -5.21 2.04 -1.93 0.49 117.51 118.62 2jla h ILE 330 Ca -0.37 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 2jla h ILE 330 Cb 1.18 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 2jla h ILE 330 CO 0.86 0.15 0.16 0.00 0.00 0.00 0.00 178.15 179.31 2jla h ALA 331 N 1.12 0.32 -0.58 1.87 0.00 -1.93 -0.40 119.26 119.65 2jla h ALA 331 Ca 0.16 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2jla h ALA 331 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2jla h ALA 331 CO -0.03 -0.18 0.29 -0.44 0.00 0.00 0.00 179.25 178.89 2jla h ASP 332 N 0.32 0.39 -0.60 0.00 3.32 -1.74 -2.51 116.42 115.61 2jla h ASP 332 Ca 0.09 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 2jla h ASP 332 Cb 0.00 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 2jla h ASP 332 CO -0.02 0.26 0.17 -0.25 -1.72 0.00 0.00 179.24 177.68 2jla h TRP 333 N 0.54 0.99 -0.58 4.55 7.01 0.43 -0.51 115.95 128.38 2jla h TRP 333 Ca 0.27 -0.11 -0.04 0.00 2.11 0.00 0.00 58.89 61.12 2jla h TRP 333 Cb 0.21 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 2jla h TRP 333 CO -0.11 0.83 0.18 -0.07 -2.79 0.00 0.00 178.44 176.48 2jla h LEU 334 N 0.87 0.81 -0.85 0.65 3.38 -0.85 0.12 115.31 119.43 2jla h LEU 334 Ca 0.19 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 2jla h LEU 334 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2jla h LEU 334 CO -0.00 0.76 -0.43 -0.33 0.09 0.00 0.00 178.44 178.52 2jla h GLU 335 N 0.85 0.31 0.00 1.13 5.08 -0.97 -2.71 114.58 118.27 2jla h GLU 335 Ca 0.19 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 2jla h GLU 335 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2jla h GLU 335 CO -0.01 0.69 -0.47 1.25 -1.00 0.00 0.00 179.01 179.47 2jla h LEU 336 N 0.25 0.00 -6.34 1.33 5.85 -0.10 -3.34 115.31 112.96 2jla h LEU 336 Ca 0.02 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.15 2jla h LEU 336 Cb 0.87 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 41.49 2jla h LEU 336 CO 0.07 0.47 -0.78 1.41 -0.34 0.00 0.00 178.44 179.27 2jla n HIS 337 N -3.34 1.86 -1.78 1.25 8.25 0.31 -4.94 115.22 116.84 2jla n HIS 337 Ca 0.01 -3.91 -0.35 0.00 -0.26 0.00 0.00 57.72 53.21 2jla n HIS 337 Cb 0.66 -0.40 0.06 0.00 1.12 0.00 0.00 29.99 31.42 2jla n HIS 337 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2jla s PRO 338 N -1.59 2.67 0.61 -0.41 0.04 -1.03 -4.72 135.00 130.56 2jla s PRO 338 Ca 0.35 1.74 -0.15 0.00 0.04 0.00 0.00 61.00 62.98 2jla s PRO 338 Cb 0.10 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 2jla s PRO 338 CO -0.09 -1.42 1.05 0.00 0.04 0.00 0.00 177.00 176.57 2jla s ALA 339 N -1.84 2.77 0.02 8.56 0.00 -1.26 -5.05 121.76 124.95 2jla s ALA 339 Ca 0.75 0.30 0.06 0.00 0.00 0.00 0.00 51.96 53.07 2jla s ALA 339 Cb -0.28 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 2jla s ALA 339 CO 0.38 -0.83 -0.17 -2.00 0.00 0.00 0.00 175.76 173.14 2jla s GLU 340 N -4.29 1.25 -0.19 0.00 2.12 -1.26 -4.97 118.70 111.36 2jla s GLU 340 Ca 0.62 -0.75 -0.35 0.00 0.36 0.00 0.00 54.97 54.85 2jla s GLU 340 Cb -0.15 -1.27 -0.12 0.00 0.26 0.00 0.00 34.13 32.85 2jla s GLU 340 CO 0.40 0.33 1.96 1.17 -0.54 0.00 0.00 175.26 178.58 2jla n LYS 341 N 2.19 1.75 -3.91 4.30 4.81 -1.26 -3.94 118.16 122.11 2jla n LYS 341 Ca -0.16 0.61 -0.11 0.00 -0.87 0.00 0.00 58.31 57.78 2jla n LYS 341 Cb 0.54 -2.57 -0.11 0.00 0.02 0.00 0.00 35.03 32.92 2jla n LYS 341 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2jla s ARG 342 N 4.67 0.38 0.40 1.64 0.52 -0.67 -5.00 118.95 120.88 2jla s ARG 342 Ca 0.98 -0.41 -0.26 0.00 -0.52 0.00 0.00 55.73 55.52 2jla s ARG 342 Cb -0.76 0.15 -0.09 0.00 0.52 0.00 0.00 34.95 34.77 2jla s ARG 342 CO 0.52 -0.08 1.28 -1.14 0.02 0.00 0.00 175.30 175.91 2jla s GLN 343 N -1.23 4.02 0.78 3.54 2.00 -1.26 -3.95 119.66 123.55 2jla s GLN 343 Ca -0.13 2.12 -0.13 0.00 -2.00 0.00 0.00 55.36 55.22 2jla s GLN 343 Cb -0.08 -2.78 0.07 0.00 0.80 0.00 0.00 33.01 31.02 2jla s GLN 343 CO 0.00 -0.44 1.15 -2.14 -0.50 0.00 0.00 175.29 173.37 2jla s PRO 344 N -2.20 1.95 -0.00 1.67 0.02 -1.26 -4.70 135.00 130.48 2jla s PRO 344 Ca 0.56 1.53 0.05 0.00 0.02 0.00 0.00 61.00 63.16 2jla s PRO 344 Cb -0.37 -1.83 -0.07 0.00 0.02 0.00 0.00 34.50 32.25 2jla s PRO 344 CO 0.48 -1.93 0.16 -2.67 -0.33 0.00 0.00 177.00 172.71 2jla n TRP 345 N -3.24 0.00 -2.96 6.54 4.27 -1.22 -5.02 117.44 115.81 2jla n TRP 345 Ca 0.12 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.33 2jla n TRP 345 Cb 0.52 -0.06 -0.05 0.00 -1.36 0.00 0.00 31.31 30.35 2jla n TRP 345 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jla n VAL 347 N 2.17 0.19 0.01 0.00 0.31 -1.26 -4.82 118.33 114.92 2jla n VAL 347 Ca -0.04 -0.07 -0.06 0.00 -0.01 0.00 0.00 64.34 64.17 2jla n VAL 347 Cb 0.49 -0.82 -0.12 0.00 -0.91 0.00 0.00 33.84 32.48 2jla n VAL 347 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2jla h GLU 348 N -0.03 0.00 -0.02 5.55 5.08 -1.93 -3.36 114.58 119.87 2jla h GLU 348 Ca -0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2jla h GLU 348 Cb 1.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 2jla h GLU 348 CO -0.02 0.50 -0.00 0.82 -1.00 0.00 0.00 179.01 179.31 2jla h ILE 349 N 0.00 1.28 -1.00 3.13 2.04 -1.91 -0.66 117.51 120.39 2jla h ILE 349 Ca -0.21 -0.83 0.18 0.00 1.00 0.00 0.00 64.86 65.00 2jla h ILE 349 Cb 1.84 1.81 -0.10 0.00 -0.74 0.00 0.00 36.82 39.64 2jla h ILE 349 CO 0.08 0.22 0.62 -0.65 0.00 0.00 0.00 178.15 178.41 2jla h PRO 350 N -0.31 0.77 0.52 2.37 0.11 -1.88 0.13 132.00 133.70 2jla h PRO 350 Ca 0.00 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 2jla h PRO 350 Cb 0.36 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.30 2jla h PRO 350 CO 0.00 0.51 -0.25 -0.09 -0.21 0.00 0.00 178.00 177.96 2jla h ARG 351 N 0.79 -0.67 -0.81 1.05 2.43 -1.64 -2.62 114.38 112.91 2jla h ARG 351 Ca 0.56 0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.79 2jla h ARG 351 Cb 0.84 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.50 2jla h ARG 351 CO -0.34 -0.37 0.54 -0.07 -1.51 0.00 0.00 179.97 178.21 2jla h LEU 352 N -0.89 0.92 -0.72 3.80 3.38 -0.74 -1.67 115.31 119.38 2jla h LEU 352 Ca -0.07 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2jla h LEU 352 Cb 0.60 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2jla h LEU 352 CO 0.12 0.65 0.28 0.00 0.09 0.00 0.00 178.44 179.58 2jla h ALA 353 N 1.50 0.94 0.24 1.53 0.00 -0.76 0.28 119.26 122.99 2jla h ALA 353 Ca 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2jla h ALA 353 Cb -0.08 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.43 2jla h ALA 353 CO -0.07 0.57 -0.11 1.49 0.00 0.00 0.00 179.25 181.12 2jla h GLU 354 N 1.04 -0.31 -0.87 0.00 4.81 -1.01 -2.94 114.58 115.30 2jla h GLU 354 Ca 0.24 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.58 2jla h GLU 354 Cb 0.22 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 2jla h GLU 354 CO -0.02 -0.10 0.56 1.96 -0.73 0.00 0.00 179.01 180.68 2jla h GLN 355 N -0.46 0.83 -0.26 1.92 4.20 -1.02 -1.96 115.11 118.36 2jla h GLN 355 Ca -0.03 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2jla h GLN 355 Cb 0.34 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2jla h GLN 355 CO 0.05 0.55 0.00 0.00 -0.67 0.00 0.00 178.83 178.76 2jla n ALA 356 N -2.41 1.13 0.00 3.87 0.00 0.97 -1.42 120.51 122.64 2jla n ALA 356 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2jla n ALA 356 Cb 0.31 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2jla n ALA 356 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jla n GLN 358 N 0.53 0.00 -0.14 0.00 6.02 -0.74 -2.70 117.38 120.35 2jla n GLN 358 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.06 2jla n GLN 358 Cb 0.01 0.00 0.38 0.00 1.02 0.00 0.00 30.24 31.66 2jla n GLN 358 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jla h ALA 359 N 0.00 1.75 -0.01 -1.58 0.00 -1.52 0.55 119.26 118.45 2jla h ALA 359 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2jla h ALA 359 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2jla h ALA 359 CO 0.00 0.15 -0.21 0.28 0.00 0.00 0.00 179.25 179.47 2jla h VAL 360 N 0.68 1.54 -0.92 0.00 2.07 -1.79 -3.18 116.25 114.64 2jla h VAL 360 Ca 0.28 -1.88 0.16 0.00 0.82 0.00 0.00 66.70 66.08 2jla h VAL 360 Cb 0.25 2.72 -0.10 0.00 -1.52 0.00 0.00 31.29 32.64 2jla h VAL 360 CO -0.09 0.51 0.52 0.40 0.02 0.00 0.00 177.57 178.94 2jla h ILE 361 N -0.51 0.74 0.00 4.57 2.04 -1.77 0.25 117.51 122.83 2jla h ILE 361 Ca -0.02 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2jla h ILE 361 Cb 0.95 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2jla h ILE 361 CO 0.04 0.13 0.07 0.00 0.00 0.00 0.00 178.15 178.39 2jla h ALA 362 N 1.59 1.06 -0.27 1.87 0.00 -0.88 -2.11 119.26 120.53 2jla h ALA 362 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2jla h ALA 362 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2jla h ALA 362 CO -0.36 -0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.36 2jla n ARG 363 N -2.93 2.83 0.00 0.00 5.12 0.87 -4.77 116.66 117.77 2jla n ARG 363 Ca -0.03 -2.28 0.08 0.00 -1.93 0.00 0.00 57.85 53.70 2jla n ARG 363 Cb 0.13 -1.44 0.38 0.00 -1.16 0.00 0.00 32.46 30.37 2jla n ARG 363 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2jla n ARG 364 N -0.00 0.14 0.02 5.56 1.85 -0.80 -4.06 116.66 119.37 2jla n ARG 364 Ca 0.14 0.17 -0.21 0.00 -1.00 0.00 0.00 57.85 56.95 2jla n ARG 364 Cb 0.57 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.34 2jla n ARG 364 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2jla h ASP 365 N 0.00 0.40 -2.19 2.89 3.32 -1.86 -3.47 116.42 115.51 2jla h ASP 365 Ca 0.00 -0.88 -0.63 0.00 0.02 0.00 0.00 57.03 55.54 2jla h ASP 365 Cb 0.20 -0.13 0.09 0.00 0.22 0.00 0.00 39.33 39.71 2jla h ASP 365 CO 0.00 1.52 0.27 0.00 -1.72 0.00 0.00 179.24 179.31 2jla n ALA 366 N -2.86 -0.36 -1.21 3.45 0.00 -1.26 -4.83 120.51 113.44 2jla n ALA 366 Ca -0.21 0.43 -0.36 0.00 0.00 0.00 0.00 53.44 53.31 2jla n ALA 366 Cb 0.86 -2.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 2jla n ALA 366 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jla n PHE 367 N 1.18 2.25 -4.57 0.00 7.35 -1.26 -4.64 117.46 117.78 2jla n PHE 367 Ca 0.13 -2.85 -0.26 0.00 -0.76 0.00 0.00 57.45 53.71 2jla n PHE 367 Cb 0.28 -2.33 -0.11 0.00 0.35 0.00 0.00 39.48 37.67 2jla n PHE 367 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2jla s GLY 368 N 2.50 2.34 0.36 7.13 0.00 -1.26 -4.93 107.32 113.45 2jla s GLY 368 Ca 0.63 -2.20 0.07 0.00 0.00 0.00 0.00 44.72 43.21 2jla s GLY 368 CO -0.05 -2.03 1.90 1.05 0.00 0.00 0.00 173.10 173.97 2jla h GLU 369 N 1.90 0.39 -0.30 2.90 4.11 -1.95 -1.20 114.58 120.44 2jla h GLU 369 Ca -0.43 -0.08 0.05 0.00 0.07 0.00 0.00 59.36 58.97 2jla h GLU 369 Cb 1.24 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 2jla h GLU 369 CO 0.76 0.47 0.00 0.00 0.07 0.00 0.00 179.01 180.31 2jla h ALA 370 N 1.57 0.27 -0.23 1.06 0.00 -1.91 -1.95 119.26 118.07 2jla h ALA 370 Ca 0.08 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2jla h ALA 370 Cb 0.34 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jla h ALA 370 CO 0.01 -0.41 0.04 1.96 0.00 0.00 0.00 179.25 180.86 2jla h GLN 371 N 0.09 0.38 -0.66 0.00 7.50 -1.65 -1.90 115.11 118.86 2jla h GLN 371 Ca 0.14 -0.10 0.14 0.00 0.50 0.00 0.00 58.65 59.34 2jla h GLN 371 Cb 0.19 -0.05 -0.11 0.00 0.05 0.00 0.00 27.48 27.56 2jla h GLN 371 CO -0.24 0.51 0.02 1.25 -1.50 0.00 0.00 178.83 178.87 2jla h LEU 372 N 0.19 -0.26 -0.58 1.46 6.46 -1.10 0.19 115.31 121.68 2jla h LEU 372 Ca 0.07 0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.97 2jla h LEU 372 Cb 0.31 0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.49 2jla h LEU 372 CO 0.00 -0.12 0.27 0.00 -0.62 0.00 0.00 178.44 177.97 2jla h ALA 373 N 1.60 0.75 -0.75 1.25 0.00 -1.24 -0.76 119.26 120.10 2jla h ALA 373 Ca 0.35 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.18 2jla h ALA 373 Cb 0.59 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2jla h ALA 373 CO -0.56 0.32 0.46 1.25 0.00 0.00 0.00 179.25 180.72 2jla h HIS 374 N 0.79 0.85 -0.33 0.00 -0.00 -0.37 -3.12 115.15 112.96 2jla h HIS 374 Ca 0.20 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.59 2jla h HIS 374 Cb 0.14 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.28 2jla h HIS 374 CO 0.00 0.44 0.00 0.54 -0.00 0.00 0.00 177.93 178.91 2jla n ARG 375 N -4.68 2.09 0.24 5.26 1.74 0.55 -4.50 116.66 117.35 2jla n ARG 375 Ca 0.10 -1.66 0.14 0.00 -0.77 0.00 0.00 57.85 55.66 2jla n ARG 375 Cb 0.14 -1.43 0.78 0.00 -1.02 0.00 0.00 32.46 30.94 2jla n ARG 375 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2jla h ILE 376 N 3.09 0.69 -0.43 0.55 6.09 -1.09 -1.52 117.51 124.88 2jla h ILE 376 Ca 0.00 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.46 2jla h ILE 376 Cb 0.69 0.94 -0.02 0.00 0.47 0.00 0.00 36.82 38.90 2jla h ILE 376 CO 0.00 0.00 0.16 0.00 -3.07 0.00 0.00 178.15 175.24 2jla n ASP 378 N -4.60 0.05 -0.39 0.00 9.92 -0.57 -0.71 116.55 120.25 2jla n ASP 378 Ca 0.00 0.81 0.05 0.00 -0.53 0.00 0.00 54.79 55.12 2jla n ASP 378 Cb 0.16 -0.40 0.05 0.00 -0.64 0.00 0.00 41.12 40.29 2jla n ASP 378 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2jla n TYR 379 N -3.64 0.04 -1.91 1.24 4.01 -0.28 -4.98 117.16 111.64 2jla n TYR 379 Ca 0.31 -0.05 -0.42 0.00 -0.16 0.00 0.00 57.90 57.58 2jla n TYR 379 Cb 1.32 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 40.32 2jla n TYR 379 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2jla s LEU 380 N -0.80 4.37 0.45 7.72 1.43 0.11 -4.96 118.68 127.00 2jla s LEU 380 Ca 0.12 2.71 -0.24 0.00 -1.03 0.00 0.00 54.13 55.69 2jla s LEU 380 Cb 0.08 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.62 2jla s LEU 380 CO 0.12 -0.82 1.26 -2.16 0.23 0.00 0.00 176.35 174.98 2jla s PRO 381 N 0.46 3.72 0.13 1.29 0.04 -1.26 -4.97 135.00 134.41 2jla s PRO 381 Ca 0.67 2.03 -0.31 0.00 0.04 0.00 0.00 61.00 63.43 2jla s PRO 381 Cb -0.45 -2.53 -0.08 0.00 0.04 0.00 0.00 34.50 31.48 2jla s PRO 381 CO 0.37 -0.66 1.41 -2.00 0.04 0.00 0.00 177.00 176.16 2jla s GLU 382 N -2.54 4.31 -1.57 4.56 2.12 -1.26 -2.36 118.70 121.95 2jla s GLU 382 Ca 0.62 2.11 -0.04 0.00 0.36 0.00 0.00 54.97 58.02 2jla s GLU 382 Cb -0.35 -3.23 0.01 0.00 0.26 0.00 0.00 34.13 30.81 2jla s GLU 382 CO 0.43 -0.45 0.55 1.04 -0.54 0.00 0.00 175.26 176.30 2jla n GLN 383 N 3.86 -4.58 0.00 4.30 1.13 -1.26 -4.83 117.38 116.00 2jla n GLN 383 Ca 0.11 0.91 0.00 0.00 -1.94 0.00 0.00 57.00 56.08 2jla n GLN 383 Cb 0.42 -5.75 0.00 0.00 0.11 0.00 0.00 30.24 25.02 2jla n GLN 383 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jla n GLY 384 N -1.47 4.84 3.21 1.08 0.00 -1.00 -4.36 105.19 107.49 2jla n GLY 384 Ca -0.12 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 2jla n GLY 384 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jla s GLN 385 N 2.12 0.51 -0.21 1.61 -2.07 -0.84 -4.49 119.66 116.29 2jla s GLN 385 Ca 0.00 0.07 -0.10 0.00 -1.82 0.00 0.00 55.36 53.52 2jla s GLN 385 Cb 0.00 0.23 -0.05 0.00 -1.09 0.00 0.00 33.01 32.10 2jla s GLN 385 CO 0.00 -0.11 0.13 -1.17 -1.32 0.00 0.00 175.29 172.82 2jla s LEU 386 N -0.65 4.09 -0.32 2.60 2.96 0.46 -1.51 118.68 126.31 2jla s LEU 386 Ca -0.07 0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 53.91 2jla s LEU 386 Cb -0.04 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.59 2jla s LEU 386 CO 0.02 0.13 0.12 0.12 -1.32 0.00 0.00 176.35 175.42 2jla s PHE 387 N 0.64 3.18 -0.26 5.38 5.36 0.11 -0.02 117.98 132.38 2jla s PHE 387 Ca 0.07 -0.95 -0.13 0.00 -0.96 0.00 0.00 56.93 54.96 2jla s PHE 387 Cb -0.12 -2.30 -0.04 0.00 -0.34 0.00 0.00 43.02 40.21 2jla s PHE 387 CO 0.01 -0.58 0.27 0.08 -1.46 0.00 0.00 175.22 173.54 2jla s VAL 388 N 1.52 5.26 0.49 3.12 1.01 0.06 -1.95 120.40 129.91 2jla s VAL 388 Ca 0.02 0.38 -0.08 0.00 0.00 0.00 0.00 61.98 62.30 2jla s VAL 388 Cb -0.18 -3.61 0.12 0.00 0.00 0.00 0.00 36.38 32.72 2jla s VAL 388 CO 0.04 0.24 0.51 0.61 0.00 0.00 0.00 175.10 176.49 2jla n GLY 389 N 4.65 -2.14 1.31 4.51 0.00 -0.44 -4.39 105.19 108.67 2jla n GLY 389 Ca -0.12 -1.54 -0.07 0.00 0.00 0.00 0.00 46.02 44.29 2jla n GLY 389 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jla n ASN 390 N -3.66 0.84 0.00 1.61 3.02 -1.26 -3.70 115.26 112.11 2jla n ASN 390 Ca 0.07 -1.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.08 2jla n ASN 390 Cb 0.25 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 2jla n ASN 390 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2jla n SER 391 N -2.65 0.00 -0.11 6.41 2.88 -1.26 -3.94 113.62 114.95 2jla n SER 391 Ca 0.05 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.50 2jla n SER 391 Cb 0.20 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.66 2jla n SER 391 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2jla h LEU 392 N 0.00 0.39 -0.39 2.46 4.07 -1.97 -3.23 115.31 116.64 2jla h LEU 392 Ca 0.00 -0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.03 2jla h LEU 392 Cb 0.00 -0.10 -0.09 0.00 1.08 0.00 0.00 40.66 41.55 2jla h LEU 392 CO 0.00 0.28 -0.37 1.62 -1.08 0.00 0.00 178.44 178.89 2jla h VAL 393 N 0.47 0.17 -0.66 1.22 3.04 -1.86 0.17 116.25 118.80 2jla h VAL 393 Ca 0.13 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.77 2jla h VAL 393 Cb -0.05 0.17 -0.03 0.00 -2.01 0.00 0.00 31.29 29.38 2jla h VAL 393 CO -0.03 0.00 0.23 1.62 -1.01 0.00 0.00 177.57 178.37 2jla h VAL 394 N -0.29 1.24 -0.45 1.51 3.04 -1.64 -1.39 116.25 118.26 2jla h VAL 394 Ca 0.16 -0.80 -0.04 0.00 -1.01 0.00 0.00 66.70 65.00 2jla h VAL 394 Cb 0.56 0.49 -0.02 0.00 -2.01 0.00 0.00 31.29 30.31 2jla h VAL 394 CO -0.55 0.31 0.11 0.03 -1.01 0.00 0.00 177.57 176.47 2jla h ARG 395 N 0.97 0.72 -0.46 4.17 3.08 -1.24 -1.60 114.38 120.01 2jla h ARG 395 Ca 0.22 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 59.97 2jla h ARG 395 Cb 0.24 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2jla h ARG 395 CO -0.01 0.72 -0.22 -0.07 -1.07 0.00 0.00 179.97 179.32 2jla h LEU 396 N 0.60 0.97 -0.59 3.04 3.38 -0.31 -1.24 115.31 121.17 2jla h LEU 396 Ca 0.14 -0.37 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 2jla h LEU 396 Cb 0.32 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2jla h LEU 396 CO 0.00 1.15 -0.06 0.40 0.09 0.00 0.00 178.44 180.02 2jla h ILE 397 N 0.82 1.27 -0.33 1.22 2.04 -1.22 0.33 117.51 121.63 2jla h ILE 397 Ca 0.11 -1.22 -0.06 0.00 1.00 0.00 0.00 64.86 64.69 2jla h ILE 397 Cb 0.79 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 2jla h ILE 397 CO 0.07 0.44 -0.03 -0.78 0.00 0.00 0.00 178.15 177.84 2jla h ASP 398 N 0.95 0.50 0.39 1.72 1.82 -1.15 -2.08 116.42 118.57 2jla h ASP 398 Ca 0.16 -0.10 -0.31 0.00 -0.39 0.00 0.00 57.03 56.38 2jla h ASP 398 Cb 0.63 -0.13 -0.04 0.00 0.68 0.00 0.00 39.33 40.47 2jla h ASP 398 CO 0.04 0.59 -1.79 0.00 -1.61 0.00 0.00 179.24 176.47 2jla n ALA 399 N -2.48 1.34 0.09 -0.78 0.00 -0.48 -4.51 120.51 113.69 2jla n ALA 399 Ca 0.01 -0.73 0.03 0.00 0.00 0.00 0.00 53.44 52.75 2jla n ALA 399 Cb 0.27 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 2jla n ALA 399 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jla n LEU 400 N -3.15 0.09 -4.69 0.00 4.77 0.09 -4.02 117.00 110.09 2jla n LEU 400 Ca -0.21 -0.19 -0.28 0.00 -0.03 0.00 0.00 56.01 55.30 2jla n LEU 400 Cb 1.05 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 42.05 2jla n LEU 400 CO 0.44 0.02 -0.24 -0.94 -1.33 0.00 0.00 177.39 175.35 2jla s SER 401 N -2.17 4.09 -0.54 -1.43 1.04 -0.78 -4.46 113.70 109.45 2jla s SER 401 Ca -0.00 -1.34 0.04 0.00 0.48 0.00 0.00 55.95 55.12 2jla s SER 401 Cb 0.04 -0.21 0.16 0.00 0.10 0.00 0.00 66.02 66.10 2jla s SER 401 CO 0.22 -0.58 0.39 -1.58 0.98 0.00 0.00 173.24 172.66 2jla s GLN 402 N -3.81 1.65 0.39 4.02 0.74 -1.26 -4.61 119.66 116.78 2jla s GLN 402 Ca 0.31 -2.62 -0.27 0.00 0.05 0.00 0.00 55.36 52.83 2jla s GLN 402 Cb 0.06 -2.46 -0.10 0.00 1.10 0.00 0.00 33.01 31.61 2jla s GLN 402 CO 0.16 -1.30 1.47 -0.51 -0.55 0.00 0.00 175.29 174.57 2jla s LEU 403 N -0.53 4.27 0.23 3.68 1.43 -1.26 -4.92 118.68 121.58 2jla s LEU 403 Ca 0.26 3.02 -0.31 0.00 -1.03 0.00 0.00 54.13 56.07 2jla s LEU 403 Cb -0.05 -3.73 -0.10 0.00 0.03 0.00 0.00 46.19 42.33 2jla s LEU 403 CO -0.14 -0.94 1.52 -2.84 0.23 0.00 0.00 176.35 174.18 2jla s PRO 404 N -2.17 4.21 0.18 1.29 0.02 -1.26 -3.76 135.00 133.52 2jla s PRO 404 Ca 0.55 2.39 -0.32 0.00 0.02 0.00 0.00 61.00 63.64 2jla s PRO 404 Cb -0.46 -3.10 -0.16 0.00 0.02 0.00 0.00 34.50 30.80 2jla s PRO 404 CO 0.61 -0.53 1.07 0.00 -0.33 0.00 0.00 177.00 177.82 2jla n ALA 405 N 2.85 -1.04 -0.96 -1.55 0.00 -1.26 -1.67 120.51 116.88 2jla n ALA 405 Ca 0.09 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2jla n ALA 405 Cb 0.39 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.87 2jla n ALA 405 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jla n GLY 406 N 1.86 0.26 3.62 0.00 0.00 0.11 -4.87 105.19 106.17 2jla n GLY 406 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2jla n GLY 406 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jla s TYR 407 N -1.59 3.26 -0.08 1.61 5.04 -0.67 -4.76 117.35 120.16 2jla s TYR 407 Ca 0.00 0.79 -0.35 0.00 -2.44 0.00 0.00 57.07 55.08 2jla s TYR 407 Cb 0.00 -2.95 -0.12 0.00 0.35 0.00 0.00 41.96 39.23 2jla s TYR 407 CO 0.00 -0.40 1.83 -2.30 -1.34 0.00 0.00 175.55 173.33 2jla n PRO 408 N 5.86 2.05 -5.28 4.97 -0.02 -1.26 -4.80 135.00 136.52 2jla n PRO 408 Ca 0.01 0.75 -0.31 0.00 -2.02 0.00 0.00 63.50 61.92 2jla n PRO 408 Cb 0.49 -2.57 -0.16 0.00 -0.02 0.00 0.00 33.50 31.24 2jla n PRO 408 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jla s VAL 409 N 3.65 2.12 0.04 -1.45 1.01 -1.26 -0.40 120.40 124.10 2jla s VAL 409 Ca 0.92 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 61.85 2jla s VAL 409 Cb -0.74 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 2jla s VAL 409 CO 0.52 0.58 -0.10 -0.31 0.00 0.00 0.00 175.10 175.79 2jla s TYR 410 N -0.55 0.85 0.18 5.22 1.51 0.97 -4.95 117.35 120.59 2jla s TYR 410 Ca 0.08 -0.41 -0.18 0.00 -1.01 0.00 0.00 57.07 55.55 2jla s TYR 410 Cb -0.11 -0.50 0.04 0.00 -0.11 0.00 0.00 41.96 41.28 2jla s TYR 410 CO -0.00 -0.02 0.52 -1.54 -1.11 0.00 0.00 175.55 173.39 2jla s SER 411 N -1.31 -0.30 -1.00 2.29 1.04 -1.26 -0.76 113.70 112.39 2jla s SER 411 Ca -0.05 -0.38 -0.05 0.00 0.48 0.00 0.00 55.95 55.96 2jla s SER 411 Cb -0.08 0.57 0.25 0.00 0.10 0.00 0.00 66.02 66.86 2jla s SER 411 CO 0.01 -1.01 0.98 0.59 0.98 0.00 0.00 173.24 174.78 2jla n ASN 412 N -0.33 4.92 -0.97 7.02 3.02 -1.26 -4.87 115.26 122.79 2jla n ASN 412 Ca -0.12 -3.12 0.08 0.00 -0.03 0.00 0.00 54.58 51.39 2jla n ASN 412 Cb 0.63 -1.20 0.24 0.00 -0.61 0.00 0.00 39.78 38.83 2jla n ASN 412 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2jla n ARG 413 N 2.37 3.05 0.01 3.52 3.00 -1.26 -3.33 116.66 124.02 2jla n ARG 413 Ca 0.23 -2.46 -0.01 0.00 -0.00 0.00 0.00 57.85 55.62 2jla n ARG 413 Cb 0.38 -1.55 -0.00 0.00 0.00 0.00 0.00 32.46 31.28 2jla n ARG 413 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2jla h GLY 414 N 2.67 -0.07 0.58 5.14 0.00 -1.91 -3.39 103.07 106.10 2jla h GLY 414 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2jla h GLY 414 CO 0.09 -0.02 -0.79 0.00 0.00 0.00 0.00 176.54 175.82 2jla n ALA 415 N -2.35 3.90 -2.62 3.60 0.00 -1.26 -4.98 120.51 116.81 2jla n ALA 415 Ca -0.01 -0.44 -0.20 0.00 0.00 0.00 0.00 53.44 52.79 2jla n ALA 415 Cb 0.03 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2jla n ALA 415 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jla n SER 416 N -1.61 -5.40 -4.75 0.00 7.64 -1.21 -4.96 113.62 103.33 2jla n SER 416 Ca 0.04 -0.06 -0.32 0.00 1.01 0.00 0.00 58.87 59.54 2jla n SER 416 Cb 0.36 -4.48 0.09 0.00 -1.01 0.00 0.00 64.21 59.17 2jla n SER 416 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jla s GLY 417 N -2.24 1.96 -0.16 0.23 0.00 -1.26 -4.85 107.32 101.01 2jla s GLY 417 Ca 0.10 0.52 0.17 0.00 0.00 0.00 0.00 44.72 45.50 2jla s GLY 417 CO 0.12 0.89 1.35 0.29 0.00 0.00 0.00 173.10 175.75 2jla n ILE 418 N -3.10 2.15 0.05 0.90 -5.35 -1.26 -4.69 119.36 108.06 2jla n ILE 418 Ca 0.11 -1.93 0.04 0.00 -0.27 0.00 0.00 62.75 60.70 2jla n ILE 418 Cb 0.52 -0.22 -0.06 0.00 -1.74 0.00 0.00 39.64 38.14 2jla n ILE 418 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2jla n ASP 419 N -0.68 0.81 -1.17 7.28 5.75 -1.26 -4.56 116.55 122.72 2jla n ASP 419 Ca 0.20 0.34 0.04 0.00 -0.01 0.00 0.00 54.79 55.36 2jla n ASP 419 Cb 0.82 0.34 0.07 0.00 -1.03 0.00 0.00 41.12 41.31 2jla n ASP 419 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jla n GLY 420 N 1.32 2.03 0.24 6.12 0.00 -1.26 -4.42 105.19 109.22 2jla n GLY 420 Ca -0.07 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 2jla n GLY 420 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jla h LEU 421 N 0.89 0.86 -0.42 0.99 3.38 -1.88 -1.06 115.31 118.07 2jla h LEU 421 Ca -0.15 -0.46 -0.10 0.00 0.09 0.00 0.00 57.88 57.25 2jla h LEU 421 Cb 1.63 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2jla h LEU 421 CO 0.07 1.14 -0.15 -0.07 0.09 0.00 0.00 178.44 179.52 2jla h LEU 422 N 0.59 0.85 -0.07 1.67 3.38 -1.89 -0.04 115.31 119.79 2jla h LEU 422 Ca 0.06 -0.38 -0.23 0.00 0.09 0.00 0.00 57.88 57.41 2jla h LEU 422 Cb 0.89 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2jla h LEU 422 CO 0.08 1.04 -1.04 0.77 0.09 0.00 0.00 178.44 179.38 2jla h SER 423 N 0.66 0.34 -0.22 -0.43 4.64 -1.86 -1.42 113.55 115.25 2jla h SER 423 Ca 0.10 -0.31 0.02 0.00 -0.47 0.00 0.00 61.79 61.13 2jla h SER 423 Cb 0.70 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 2jla h SER 423 CO 0.05 1.18 0.07 0.74 -0.87 0.00 0.00 176.83 178.00 2jla h THR 424 N 0.10 0.94 -0.40 2.95 2.02 -1.14 -1.01 112.91 116.38 2jla h THR 424 Ca -0.08 -0.06 0.08 0.00 0.77 0.00 0.00 66.41 67.12 2jla h THR 424 Cb 1.73 0.75 -0.08 0.00 -1.74 0.00 0.00 68.15 68.80 2jla h THR 424 CO 0.17 0.03 -0.17 0.00 0.37 0.00 0.00 175.52 175.92 2jla h ALA 425 N 1.14 0.15 -0.69 6.16 0.00 -0.84 0.92 119.26 126.11 2jla h ALA 425 Ca 0.10 0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.29 2jla h ALA 425 Cb 0.07 0.42 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 2jla h ALA 425 CO -0.10 -0.53 0.18 0.00 0.00 0.00 0.00 179.25 178.80 2jla h ALA 426 N 1.23 0.88 0.34 0.00 0.00 -0.83 -0.38 119.26 120.50 2jla h ALA 426 Ca 0.20 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2jla h ALA 426 Cb 0.39 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2jla h ALA 426 CO -0.46 -0.30 -0.21 0.78 0.00 0.00 0.00 179.25 179.06 2jla h GLY 427 N 0.30 -0.55 0.00 0.00 0.00 -0.19 -1.81 103.07 100.82 2jla h GLY 427 Ca 0.38 0.23 0.08 0.00 0.00 0.00 0.00 47.33 48.02 2jla h GLY 427 CO -0.45 -0.21 -0.21 -2.08 0.00 0.00 0.00 176.54 173.59 2jla h VAL 428 N -0.53 0.40 -0.14 4.60 2.07 0.77 0.15 116.25 123.57 2jla h VAL 428 Ca -0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 2jla h VAL 428 Cb 0.44 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2jla h VAL 428 CO 0.04 0.00 -0.08 0.06 0.02 0.00 0.00 177.57 177.61 2jla h GLN 429 N -0.14 0.30 -0.64 1.57 -0.00 -1.28 -3.07 115.11 111.84 2jla h GLN 429 Ca 0.19 -0.13 0.12 0.00 -0.00 0.00 0.00 58.65 58.83 2jla h GLN 429 Cb 0.44 -0.01 -0.12 0.00 -0.00 0.00 0.00 27.48 27.79 2jla h GLN 429 CO -0.48 0.64 -0.27 0.00 -0.00 0.00 0.00 178.83 178.71 2jla h ARG 430 N -0.05 -0.09 -0.48 0.06 3.08 -0.69 0.12 114.38 116.33 2jla h ARG 430 Ca 0.03 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.18 2jla h ARG 430 Cb 0.55 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.53 2jla h ARG 430 CO 0.02 -0.06 -0.15 0.00 -1.07 0.00 0.00 179.97 178.71 2jla h ALA 431 N 1.30 0.25 0.00 0.04 0.00 -0.64 -3.25 119.26 116.96 2jla h ALA 431 Ca 0.28 0.18 -0.25 0.00 0.00 0.00 0.00 54.91 55.12 2jla h ALA 431 Cb 0.54 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 2jla h ALA 431 CO -0.70 -0.48 -2.26 -1.13 0.00 0.00 0.00 179.25 174.67 2jla n SER 432 N -5.37 0.00 0.00 0.00 3.41 -0.94 -4.87 113.62 105.85 2jla n SER 432 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2jla n SER 432 Cb 0.28 1.32 0.00 0.00 -0.26 0.00 0.00 64.21 65.55 2jla n SER 432 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jla n GLY 433 N 1.59 1.13 3.77 5.00 0.00 0.36 -5.04 105.19 112.00 2jla n GLY 433 Ca -0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 2jla n GLY 433 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jla s LYS 434 N -0.54 3.80 0.30 1.61 1.02 -1.26 -4.27 119.74 120.41 2jla s LYS 434 Ca 0.00 1.78 -0.28 0.00 0.02 0.00 0.00 55.97 57.50 2jla s LYS 434 Cb 0.00 -2.45 -0.14 0.00 -0.52 0.00 0.00 37.83 34.72 2jla s LYS 434 CO 0.00 -0.52 1.02 -0.35 -0.92 0.00 0.00 175.35 174.58 2jla n PRO 435 N -0.40 1.39 -3.96 -1.68 -0.04 -1.26 -4.66 135.00 124.38 2jla n PRO 435 Ca 0.07 0.49 -0.15 0.00 -0.04 0.00 0.00 63.50 63.86 2jla n PRO 435 Cb 0.48 -1.87 -0.15 0.00 -0.04 0.00 0.00 33.50 31.91 2jla n PRO 435 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jla s THR 436 N -1.07 0.17 -0.17 0.52 2.01 -0.23 -1.99 115.64 114.87 2jla s THR 436 Ca 0.59 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.58 2jla s THR 436 Cb -0.69 -0.21 -0.00 0.00 0.01 0.00 0.00 72.50 71.61 2jla s THR 436 CO 0.60 0.10 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.28 2jla s LEU 437 N 0.49 2.60 -0.15 4.42 2.96 -0.57 -1.13 118.68 127.30 2jla s LEU 437 Ca -0.05 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 2jla s LEU 437 Cb -0.07 -1.61 0.02 0.00 0.50 0.00 0.00 46.19 45.03 2jla s LEU 437 CO -0.01 0.05 -0.14 0.00 -1.32 0.00 0.00 176.35 174.94 2jla s ALA 438 N 1.00 1.82 -0.12 5.97 0.00 0.09 0.10 121.76 130.62 2jla s ALA 438 Ca -0.01 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.07 2jla s ALA 438 Cb -0.15 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 2jla s ALA 438 CO -0.02 -0.38 -0.11 -1.50 0.00 0.00 0.00 175.76 173.75 2jla s ILE 439 N 1.50 3.28 0.02 0.00 2.07 -0.82 -0.62 121.20 126.62 2jla s ILE 439 Ca 0.05 -0.59 -0.07 0.00 -1.41 0.00 0.00 60.65 58.62 2jla s ILE 439 Cb -0.13 -2.37 -0.00 0.00 0.13 0.00 0.00 42.46 40.09 2jla s ILE 439 CO -0.10 0.53 0.13 0.54 -1.91 0.00 0.00 174.94 174.13 2jla s VAL 440 N 0.10 0.10 0.83 4.00 0.11 0.19 -1.33 120.40 124.40 2jla s VAL 440 Ca -0.05 -0.85 -0.12 0.00 -2.93 0.00 0.00 61.98 58.03 2jla s VAL 440 Cb -0.14 -0.65 0.10 0.00 -1.53 0.00 0.00 36.38 34.16 2jla s VAL 440 CO 0.04 -0.47 1.20 -0.83 -3.33 0.00 0.00 175.10 171.71 2jla s GLY 441 N -1.73 1.63 0.04 6.54 0.00 -1.26 -0.72 107.32 111.83 2jla s GLY 441 Ca -0.10 -0.78 -0.18 0.00 0.00 0.00 0.00 44.72 43.65 2jla s GLY 441 CO -0.01 -0.24 1.27 1.29 0.00 0.00 0.00 173.10 175.40 2jla h ASP 442 N -1.14 0.56 -0.47 1.64 2.03 -1.79 0.29 116.42 117.53 2jla h ASP 442 Ca -0.46 -0.59 -0.02 0.00 -0.73 0.00 0.00 57.03 55.23 2jla h ASP 442 Cb 1.31 -0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 39.63 2jla h ASP 442 CO 0.60 1.05 0.21 -0.07 -1.03 0.00 0.00 179.24 180.01 2jla h LEU 443 N 0.10 0.63 -0.25 0.15 3.38 -1.90 0.10 115.31 117.53 2jla h LEU 443 Ca -0.01 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 57.87 2jla h LEU 443 Cb 0.99 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 2jla h LEU 443 CO 0.08 0.60 -0.14 0.28 0.09 0.00 0.00 178.44 179.35 2jla h SER 444 N 0.62 -0.48 -0.67 -0.43 0.02 -1.80 0.32 113.55 111.14 2jla h SER 444 Ca 0.16 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 2jla h SER 444 Cb 0.15 0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2jla h SER 444 CO -0.02 -0.18 0.36 0.00 -1.14 0.00 0.00 176.83 175.85 2jla h ALA 445 N 1.05 1.34 -0.25 3.77 0.00 -0.75 -2.60 119.26 121.82 2jla h ALA 445 Ca 0.13 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2jla h ALA 445 Cb 0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2jla h ALA 445 CO -0.32 0.53 -0.34 -0.07 0.00 0.00 0.00 179.25 179.05 2jla h LEU 446 N 0.96 0.57 0.17 0.00 3.38 0.29 -2.80 115.31 117.88 2jla h LEU 446 Ca 0.24 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2jla h LEU 446 Cb 0.05 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2jla h LEU 446 CO -0.04 0.87 -0.08 0.22 0.09 0.00 0.00 178.44 179.50 2jla h TYR 447 N 0.47 -0.21 -1.06 1.13 -0.00 -0.04 -3.14 116.97 114.12 2jla h TYR 447 Ca 0.05 -0.00 -0.65 0.00 -0.00 0.00 0.00 58.73 58.13 2jla h TYR 447 Cb 0.81 0.07 -0.33 0.00 -0.00 0.00 0.00 36.73 37.28 2jla h TYR 447 CO 0.03 -0.12 0.40 -3.47 -0.00 0.00 0.00 178.16 175.00 2jla n ASP 448 N -5.18 6.86 0.04 -2.11 -0.08 -1.04 -4.76 116.55 110.28 2jla n ASP 448 Ca -0.09 -3.78 -0.12 0.00 -1.51 0.00 0.00 54.79 49.29 2jla n ASP 448 Cb 0.12 -0.80 -0.07 0.00 2.34 0.00 0.00 41.12 42.71 2jla n ASP 448 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2jla h LEU 449 N 2.17 -0.02 -0.22 -2.67 5.85 -1.45 -2.20 115.31 116.78 2jla h LEU 449 Ca 0.53 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.26 2jla h LEU 449 Cb 0.92 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2jla h LEU 449 CO 1.34 -0.01 0.00 -0.46 -0.34 0.00 0.00 178.44 178.97 2jla n ASN 450 N -5.10 0.15 0.30 1.25 0.23 -1.26 -1.64 115.26 109.19 2jla n ASN 450 Ca -0.07 0.55 0.19 0.00 -0.53 0.00 0.00 54.58 54.71 2jla n ASN 450 Cb 0.04 -0.57 1.02 0.00 -2.08 0.00 0.00 39.78 38.19 2jla n ASN 450 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jla h ALA 451 N 2.30 1.34 -0.14 -2.53 0.00 -1.79 -0.71 119.26 117.73 2jla h ALA 451 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2jla h ALA 451 Cb 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2jla h ALA 451 CO 0.00 -0.07 0.40 -0.07 0.00 0.00 0.00 179.25 179.51 2jla h LEU 452 N 0.00 0.00 -0.23 0.00 3.38 -1.49 0.15 115.31 117.11 2jla h LEU 452 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2jla h LEU 452 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2jla h LEU 452 CO -0.00 0.00 0.08 0.00 0.09 0.00 0.00 178.44 178.61 2jla h ALA 453 N 1.32 0.31 -0.12 1.53 0.00 -1.38 -2.56 119.26 118.36 2jla h ALA 453 Ca 0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2jla h ALA 453 Cb 0.87 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2jla h ALA 453 CO -0.00 -0.07 -0.12 -0.07 0.00 0.00 0.00 179.25 178.99 2jla h LEU 454 N 0.21 0.18 0.00 0.00 3.38 -0.91 -2.65 115.31 115.53 2jla h LEU 454 Ca 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2jla h LEU 454 Cb 0.23 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2jla h LEU 454 CO -0.00 0.32 0.00 0.18 0.09 0.00 0.00 178.44 179.03 2jla n LEU 455 N -4.31 0.00 0.26 1.67 4.77 -0.97 -1.31 117.00 117.12 2jla n LEU 455 Ca -0.01 0.26 0.16 0.00 -0.03 0.00 0.00 56.01 56.39 2jla n LEU 455 Cb 0.25 -0.26 0.52 0.00 -2.33 0.00 0.00 43.42 41.59 2jla n LEU 455 CO 0.37 -0.12 0.93 0.03 -1.33 0.00 0.00 177.39 177.28 2jla h ARG 456 N 0.00 0.00 -3.50 3.23 3.08 -1.41 -3.36 114.38 112.41 2jla h ARG 456 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 2jla h ARG 456 Cb 0.14 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 29.81 2jla h ARG 456 CO 0.00 0.00 -0.51 -0.65 -1.07 0.00 0.00 179.97 177.74 2jla s GLN 457 N -3.52 2.24 0.01 0.04 -0.21 -0.43 -4.93 119.66 112.86 2jla s GLN 457 Ca 0.03 -2.57 0.06 0.00 0.02 0.00 0.00 55.36 52.90 2jla s GLN 457 Cb 0.08 -3.51 -0.02 0.00 1.00 0.00 0.00 33.01 30.56 2jla s GLN 457 CO 0.59 -1.14 -0.19 0.08 -2.12 0.00 0.00 175.29 172.51 2jla s VAL 458 N -0.17 1.52 -1.01 1.09 1.01 -1.26 -4.96 120.40 116.61 2jla s VAL 458 Ca 0.17 -0.95 0.24 0.00 0.00 0.00 0.00 61.98 61.43 2jla s VAL 458 Cb -0.23 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 2jla s VAL 458 CO -0.02 0.31 1.28 -1.54 0.00 0.00 0.00 175.10 175.13 2jla n SER 459 N 2.30 0.65 -3.82 3.32 3.41 -1.26 -4.55 113.62 113.67 2jla n SER 459 Ca -0.16 -0.47 -0.09 0.00 -0.26 0.00 0.00 58.87 57.89 2jla n SER 459 Cb 0.54 0.45 -0.07 0.00 -0.26 0.00 0.00 64.21 64.87 2jla n SER 459 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jla s ALA 460 N -2.99 -0.33 0.10 7.33 0.00 -1.26 -4.82 121.76 119.78 2jla s ALA 460 Ca 0.10 -0.53 -0.36 0.00 0.00 0.00 0.00 51.96 51.17 2jla s ALA 460 Cb 0.17 0.52 -0.16 0.00 0.00 0.00 0.00 23.12 23.65 2jla s ALA 460 CO 0.74 -0.53 1.38 -0.35 0.00 0.00 0.00 175.76 177.00 2jla n PRO 461 N -0.09 1.33 -4.13 0.00 -0.04 -1.21 -4.20 135.00 126.66 2jla n PRO 461 Ca -0.15 0.48 -0.33 0.00 -0.04 0.00 0.00 63.50 63.45 2jla n PRO 461 Cb 0.63 -2.14 -0.16 0.00 -0.04 0.00 0.00 33.50 31.79 2jla n PRO 461 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2jla s LEU 462 N 0.56 2.30 -0.32 1.53 0.20 -0.42 -1.07 118.68 121.46 2jla s LEU 462 Ca 0.83 -0.58 -0.12 0.00 0.69 0.00 0.00 54.13 54.95 2jla s LEU 462 Cb -0.90 -1.53 -0.02 0.00 -0.43 0.00 0.00 46.19 43.30 2jla s LEU 462 CO 0.45 0.01 0.20 -0.69 -0.29 0.00 0.00 176.35 176.03 2jla s VAL 463 N 1.27 5.09 -0.54 1.68 1.01 -0.28 -0.83 120.40 127.80 2jla s VAL 463 Ca 0.04 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.66 2jla s VAL 463 Cb -0.14 -3.57 0.13 0.00 0.00 0.00 0.00 36.38 32.81 2jla s VAL 463 CO -0.10 0.07 0.50 -0.22 0.00 0.00 0.00 175.10 175.35 2jla s LEU 464 N 1.70 6.19 -0.31 3.92 2.96 0.44 -0.73 118.68 132.84 2jla s LEU 464 Ca 0.06 -1.80 -0.29 0.00 -0.22 0.00 0.00 54.13 51.88 2jla s LEU 464 Cb -0.17 -2.21 0.00 0.00 0.50 0.00 0.00 46.19 44.32 2jla s LEU 464 CO 0.09 -0.85 1.27 -0.63 -1.32 0.00 0.00 176.35 174.91 2jla s ILE 465 N 1.58 4.18 -0.43 6.68 1.01 0.20 -0.95 121.20 133.49 2jla s ILE 465 Ca 0.03 1.33 -0.15 0.00 0.00 0.00 0.00 60.65 61.86 2jla s ILE 465 Cb -0.30 -4.21 0.03 0.00 0.01 0.00 0.00 42.46 38.00 2jla s ILE 465 CO 0.03 -0.50 0.35 -0.69 0.00 0.00 0.00 174.94 174.12 2jla s VAL 466 N 4.32 5.22 -0.35 2.92 1.01 -0.51 -0.64 120.40 132.37 2jla s VAL 466 Ca 0.55 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 2jla s VAL 466 Cb -0.16 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.24 2jla s VAL 466 CO 0.23 -0.39 1.23 -0.69 0.00 0.00 0.00 175.10 175.48 2jla s VAL 467 N 1.76 4.21 -0.49 2.92 1.01 0.10 -4.30 120.40 125.61 2jla s VAL 467 Ca 0.06 1.33 -0.09 0.00 0.00 0.00 0.00 61.98 63.29 2jla s VAL 467 Cb -0.20 -4.30 0.12 0.00 0.00 0.00 0.00 36.38 32.00 2jla s VAL 467 CO 0.10 -0.61 0.35 0.21 0.00 0.00 0.00 175.10 175.15 2jla s ASN 468 N 2.62 5.68 -0.28 3.32 3.84 -1.26 -2.38 114.94 126.47 2jla s ASN 468 Ca 0.53 -2.00 0.11 0.00 0.21 0.00 0.00 52.86 51.71 2jla s ASN 468 Cb -0.14 -2.00 0.56 0.00 -0.55 0.00 0.00 41.25 39.12 2jla s ASN 468 CO 0.24 -0.66 1.54 -0.46 -2.79 0.00 0.00 177.10 174.97 2jla n ASN 469 N 4.78 3.26 -3.64 -4.21 0.23 -1.26 -1.32 115.26 113.10 2jla n ASN 469 Ca -0.06 -3.48 -0.25 0.00 -0.53 0.00 0.00 54.58 50.26 2jla n ASN 469 Cb 0.41 -0.64 0.02 0.00 -2.08 0.00 0.00 39.78 37.48 2jla n ASN 469 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2jla n ASN 470 N -0.86 -5.52 0.00 0.53 5.15 -1.26 -4.06 115.26 109.24 2jla n ASN 470 Ca 0.34 -0.85 0.00 0.00 -0.60 0.00 0.00 54.58 53.46 2jla n ASN 470 Cb 1.10 -3.00 0.00 0.00 -0.53 0.00 0.00 39.78 37.36 2jla n ASN 470 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jla n GLY 471 N -1.74 1.65 3.58 8.20 0.00 -1.26 -4.24 105.19 111.37 2jla n GLY 471 Ca -0.15 -2.17 -0.34 0.00 0.00 0.00 0.00 46.02 43.36 2jla n GLY 471 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jla s GLY 472 N 0.00 0.78 0.00 -0.02 0.00 0.07 -4.77 107.32 103.39 2jla s GLY 472 Ca 0.00 -2.40 0.17 0.00 0.00 0.00 0.00 44.72 42.49 2jla s GLY 472 CO 0.00 3.19 1.54 -1.06 0.00 0.00 0.00 173.10 176.77 2jla n GLN 473 N 8.40 0.02 -0.13 2.90 1.13 -1.26 -2.32 117.38 126.13 2jla n GLN 473 Ca 0.45 0.20 0.21 0.00 -1.94 0.00 0.00 57.00 55.93 2jla n GLN 473 Cb 0.47 -1.50 0.63 0.00 0.11 0.00 0.00 30.24 29.95 2jla n GLN 473 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 2jla h ILE 474 N 0.00 0.69 0.00 5.09 2.10 -1.95 0.86 117.51 124.30 2jla h ILE 474 Ca 0.00 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.89 2jla h ILE 474 Cb 0.28 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 36.53 2jla h ILE 474 CO 0.00 0.03 0.00 0.49 -1.08 0.00 0.00 178.15 177.59 2jla n PHE 475 N -4.39 0.00 0.12 2.19 3.01 -0.98 -1.07 117.46 116.34 2jla n PHE 475 Ca 0.15 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.39 2jla n PHE 475 Cb 0.71 -0.27 -0.14 0.00 -0.01 0.00 0.00 39.48 39.77 2jla n PHE 475 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2jla h SER 476 N 0.00 0.72 -0.35 4.37 0.02 -1.04 -3.37 113.55 113.90 2jla h SER 476 Ca 0.00 -0.74 -0.10 0.00 -0.84 0.00 0.00 61.79 60.11 2jla h SER 476 Cb 0.22 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2jla h SER 476 CO 0.00 1.57 -0.16 0.25 -1.14 0.00 0.00 176.83 177.35 2jla h LEU 477 N 0.15 0.75 -9.94 5.07 5.85 -1.03 -3.43 115.31 112.73 2jla h LEU 477 Ca -0.20 -0.40 -0.47 0.00 0.84 0.00 0.00 57.88 57.65 2jla h LEU 477 Cb 2.05 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.86 2jla h LEU 477 CO 0.25 0.99 0.36 -0.76 -0.34 0.00 0.00 178.44 178.94 2jla s LEU 478 N -9.16 4.22 -0.71 2.25 1.43 -0.66 -4.92 118.68 111.11 2jla s LEU 478 Ca -0.12 1.87 -0.05 0.00 -1.03 0.00 0.00 54.13 54.80 2jla s LEU 478 Cb 0.09 -4.15 -0.05 0.00 0.03 0.00 0.00 46.19 42.11 2jla s LEU 478 CO 0.82 -0.24 1.97 -0.81 0.23 0.00 0.00 176.35 178.32 2jla n PRO 479 N 0.18 1.73 -2.30 1.29 -0.04 -1.26 -4.83 135.00 129.77 2jla n PRO 479 Ca 0.04 -1.24 -0.32 0.00 -0.04 0.00 0.00 63.50 61.93 2jla n PRO 479 Cb 0.51 -2.32 -0.02 0.00 -0.04 0.00 0.00 33.50 31.62 2jla n PRO 479 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2jla s THR 480 N 3.45 4.33 0.03 0.52 -4.23 -1.26 -4.99 115.64 113.49 2jla s THR 480 Ca 0.34 1.12 -0.30 0.00 -1.18 0.00 0.00 61.69 61.66 2jla s THR 480 Cb 0.10 -3.63 -0.06 0.00 1.34 0.00 0.00 72.50 70.25 2jla s THR 480 CO -0.03 -0.64 1.38 -2.16 -0.54 0.00 0.00 174.62 172.63 2jla s PRO 481 N -4.07 4.31 0.19 3.99 0.04 -1.26 -4.93 135.00 133.28 2jla s PRO 481 Ca 0.60 1.97 -0.14 0.00 0.04 0.00 0.00 61.00 63.47 2jla s PRO 481 Cb -0.12 -3.47 0.19 0.00 0.04 0.00 0.00 34.50 31.15 2jla s PRO 481 CO 0.33 -0.51 1.65 0.37 0.04 0.00 0.00 177.00 178.88 2jla h GLN 482 N 7.46 0.01 0.00 4.56 5.75 -2.00 -2.97 115.11 127.93 2jla h GLN 482 Ca -0.39 -0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.07 2jla h GLN 482 Cb 1.19 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.73 2jla h GLN 482 CO 0.88 0.01 -0.18 0.66 -2.65 0.00 0.00 178.83 177.55 2jla h SER 483 N 0.01 0.00 -0.06 -0.69 4.64 -2.05 -2.89 113.55 112.51 2jla h SER 483 Ca 0.26 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.57 2jla h SER 483 Cb 0.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 2jla h SER 483 CO -0.55 0.18 -0.12 -1.84 -0.87 0.00 0.00 176.83 173.63 2jla n GLU 484 N -3.45 1.62 -0.02 4.77 0.00 -1.16 -4.76 120.64 117.64 2jla n GLU 484 Ca -0.01 -2.83 -0.16 0.00 0.00 0.00 0.00 57.16 54.16 2jla n GLU 484 Cb 0.35 -1.60 -0.09 0.00 0.00 0.00 0.00 31.44 30.10 2jla n GLU 484 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2jla h ARG 485 N 0.55 0.49 -0.04 3.44 2.43 -1.35 -2.29 114.38 117.61 2jla h ARG 485 Ca 0.02 -0.43 -0.00 0.00 -0.81 0.00 0.00 59.98 58.75 2jla h ARG 485 Cb 1.11 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2jla h ARG 485 CO 0.06 1.07 0.02 1.49 -1.51 0.00 0.00 179.97 181.10 2jla h GLU 486 N 0.06 0.05 -0.04 0.20 4.81 -1.86 0.32 114.58 118.12 2jla h GLU 486 Ca -0.05 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 2jla h GLU 486 Cb 1.20 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.58 2jla h GLU 486 CO 0.11 0.17 -0.59 -0.09 -0.73 0.00 0.00 179.01 177.89 2jla h ARG 487 N -0.08 0.47 -0.01 1.92 2.43 -1.90 -3.33 114.38 113.88 2jla h ARG 487 Ca 0.01 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2jla h ARG 487 Cb 0.14 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2jla h ARG 487 CO -0.00 1.10 -0.30 1.19 -1.51 0.00 0.00 179.97 180.45 2jla n PHE 488 N -4.20 0.00 0.07 2.20 3.01 -0.86 -4.78 117.46 112.90 2jla n PHE 488 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 2jla n PHE 488 Cb 0.66 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 2jla n PHE 488 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2jla n TYR 489 N 0.07 -0.72 0.00 1.38 4.01 -0.96 -5.01 117.16 115.93 2jla n TYR 489 Ca 0.08 0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.94 2jla n TYR 489 Cb 0.37 0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 2jla n TYR 489 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2jla n LEU 490 N -3.36 0.00 -3.99 7.72 4.77 0.11 -4.63 117.00 117.62 2jla n LEU 490 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 2jla n LEU 490 Cb 0.00 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 2jla n LEU 490 CO 0.00 0.00 -0.42 -2.16 -1.33 0.00 0.00 177.39 173.48 2jla s PRO 492 N 0.00 0.65 0.00 3.23 0.04 -1.26 -0.75 135.00 136.91 2jla s PRO 492 Ca 0.00 -0.25 0.18 0.00 0.04 0.00 0.00 61.00 60.97 2jla s PRO 492 Cb 0.00 -0.63 0.04 0.00 0.04 0.00 0.00 34.50 33.95 2jla s PRO 492 CO 0.00 0.13 0.96 1.04 0.04 0.00 0.00 177.00 179.17 2jla n GLN 493 N 3.03 1.58 -3.82 4.56 1.13 -1.26 -4.95 117.38 117.65 2jla n GLN 493 Ca -0.15 -1.06 -0.36 0.00 -1.94 0.00 0.00 57.00 53.49 2jla n GLN 493 Cb 0.57 -1.33 0.03 0.00 0.11 0.00 0.00 30.24 29.61 2jla n GLN 493 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2jla n ASN 494 N 0.22 -4.94 -4.11 1.08 3.02 -1.26 -4.97 115.26 104.30 2jla n ASN 494 Ca 0.08 -1.09 -0.10 0.00 -0.03 0.00 0.00 54.58 53.44 2jla n ASN 494 Cb 0.40 -2.66 -0.09 0.00 -0.61 0.00 0.00 39.78 36.82 2jla n ASN 494 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jla s VAL 495 N -3.43 0.07 0.32 2.41 0.11 -1.26 -5.18 120.40 113.44 2jla s VAL 495 Ca 0.43 -1.78 0.03 0.00 -2.93 0.00 0.00 61.98 57.74 2jla s VAL 495 Cb -0.19 -2.09 -0.05 0.00 -1.53 0.00 0.00 36.38 32.52 2jla s VAL 495 CO 0.90 -0.31 0.10 -1.00 -3.33 0.00 0.00 175.10 171.47 2jla s HIS 496 N -4.05 1.74 -0.71 1.54 3.76 -1.26 -5.01 115.29 111.30 2jla s HIS 496 Ca 0.25 -1.17 0.07 0.00 -0.15 0.00 0.00 55.06 54.06 2jla s HIS 496 Cb 0.06 -1.07 0.12 0.00 1.11 0.00 0.00 32.58 32.80 2jla s HIS 496 CO 0.04 -0.26 0.92 1.19 -0.85 0.00 0.00 174.74 175.78 2jla n PHE 497 N -0.66 0.13 -0.14 1.40 3.72 -1.26 -4.63 117.46 116.03 2jla n PHE 497 Ca -0.02 -0.24 -0.03 0.00 -0.05 0.00 0.00 57.45 57.11 2jla n PHE 497 Cb 0.66 -0.02 0.05 0.00 -0.94 0.00 0.00 39.48 39.23 2jla n PHE 497 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2jla h GLU 498 N 1.28 0.17 0.00 -1.08 4.81 -1.98 -1.59 114.58 116.20 2jla h GLU 498 Ca 0.00 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 2jla h GLU 498 Cb 0.45 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2jla h GLU 498 CO 0.00 0.11 -0.35 0.45 -0.73 0.00 0.00 179.01 178.50 2jla h HIS 499 N 0.18 0.00 0.21 0.92 3.86 -2.00 -2.26 115.15 116.07 2jla h HIS 499 Ca 0.22 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 2jla h HIS 499 Cb 0.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.77 2jla h HIS 499 CO -0.24 0.35 -0.10 0.00 0.86 0.00 0.00 177.93 178.79 2jla h ALA 500 N 1.65 -0.29 -0.74 2.45 0.00 -1.59 -3.08 119.26 117.66 2jla h ALA 500 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2jla h ALA 500 Cb 0.68 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2jla h ALA 500 CO 0.05 -0.60 0.45 0.00 0.00 0.00 0.00 179.25 179.15 2jla h ALA 501 N 0.34 1.40 0.00 0.00 0.00 -1.30 -2.82 119.26 116.88 2jla h ALA 501 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jla h ALA 501 Cb 0.32 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2jla h ALA 501 CO 0.05 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.82 2jla n ALA 502 N -2.42 1.48 0.00 0.00 0.00 -0.86 -0.29 120.51 118.41 2jla n ALA 502 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2jla n ALA 502 Cb 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2jla n ALA 502 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2jla n PHE 504 N 0.78 0.00 -2.98 0.00 3.72 -1.06 -4.62 117.46 113.30 2jla n PHE 504 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 2jla n PHE 504 Cb 0.05 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.63 2jla n PHE 504 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2jla n GLU 505 N 0.00 -3.75 -4.13 -1.08 1.02 0.53 -4.85 120.64 108.37 2jla n GLU 505 Ca 0.00 0.42 -0.33 0.00 -0.02 0.00 0.00 57.16 57.23 2jla n GLU 505 Cb 0.00 -4.23 -0.07 0.00 -0.02 0.00 0.00 31.44 27.12 2jla n GLU 505 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2jla s LEU 506 N -4.07 3.82 0.43 -4.62 1.43 0.60 -5.04 118.68 111.23 2jla s LEU 506 Ca 0.27 0.12 -0.26 0.00 -1.03 0.00 0.00 54.13 53.23 2jla s LEU 506 Cb -0.12 -2.22 -0.09 0.00 0.03 0.00 0.00 46.19 43.79 2jla s LEU 506 CO 0.34 0.27 1.36 0.29 0.23 0.00 0.00 176.35 178.84 2jla n LYS 507 N 1.23 2.15 -4.39 1.70 5.02 -1.25 -4.35 118.16 118.26 2jla n LYS 507 Ca -0.13 0.76 -0.20 0.00 -2.02 0.00 0.00 58.31 56.71 2jla n LYS 507 Cb 0.53 -2.51 -0.13 0.00 -0.02 0.00 0.00 35.03 32.89 2jla n LYS 507 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 2jla s TYR 508 N -1.18 1.27 -0.01 2.13 5.04 -1.26 -0.65 117.35 122.69 2jla s TYR 508 Ca 0.60 -0.35 -0.01 0.00 -2.44 0.00 0.00 57.07 54.87 2jla s TYR 508 Cb -0.48 -0.75 0.00 0.00 0.35 0.00 0.00 41.96 41.07 2jla s TYR 508 CO 0.59 0.04 0.03 -1.01 -1.34 0.00 0.00 175.55 173.85 2jla s HIS 509 N -0.82 -0.03 -0.53 4.97 3.76 -0.42 -4.96 115.29 117.26 2jla s HIS 509 Ca 0.02 0.07 0.06 0.00 -0.15 0.00 0.00 55.06 55.06 2jla s HIS 509 Cb -0.08 0.01 0.22 0.00 1.11 0.00 0.00 32.58 33.85 2jla s HIS 509 CO 0.01 -0.01 0.57 -2.13 -0.85 0.00 0.00 174.74 172.32 2jla n ARG 510 N 3.07 1.43 -1.95 1.40 0.00 -1.26 -1.55 116.66 117.79 2jla n ARG 510 Ca -0.12 -3.91 -0.40 0.00 -0.00 0.00 0.00 57.85 53.42 2jla n ARG 510 Cb 0.60 -1.81 0.00 0.00 0.00 0.00 0.00 32.46 31.25 2jla n ARG 510 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2jla s PRO 511 N -1.48 3.85 0.00 -0.14 0.04 -1.26 -4.96 135.00 131.06 2jla s PRO 511 Ca 0.35 2.27 0.22 0.00 0.04 0.00 0.00 61.00 63.87 2jla s PRO 511 Cb 0.11 -2.72 -0.09 0.00 0.04 0.00 0.00 34.50 31.84 2jla s PRO 511 CO -0.10 -0.63 1.00 1.04 0.04 0.00 0.00 177.00 178.36 2jla n GLN 512 N -0.00 0.22 -3.84 4.56 1.13 -1.26 -4.78 117.38 113.41 2jla n GLN 512 Ca 0.04 -0.18 -0.07 0.00 -1.94 0.00 0.00 57.00 54.86 2jla n GLN 512 Cb 0.43 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.31 2jla n GLN 512 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2jla s ASN 513 N -2.90 0.02 0.29 1.08 2.20 -1.26 -5.05 114.94 109.32 2jla s ASN 513 Ca 0.10 -1.01 -0.01 0.00 -0.94 0.00 0.00 52.86 51.00 2jla s ASN 513 Cb 0.17 0.74 0.44 0.00 -2.00 0.00 0.00 41.25 40.59 2jla s ASN 513 CO 0.79 -1.46 1.90 -0.50 -2.94 0.00 0.00 177.10 174.89 2jla h TRP 514 N 2.00 0.93 -0.62 1.54 4.06 -1.96 0.39 115.95 122.29 2jla h TRP 514 Ca -0.31 -0.03 -0.05 0.00 2.06 0.00 0.00 58.89 60.55 2jla h TRP 514 Cb 1.24 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 29.08 2jla h TRP 514 CO 1.42 0.67 0.17 0.37 -3.56 0.00 0.00 178.44 177.52 2jla h GLN 515 N 0.93 0.96 -0.02 0.49 5.75 -1.99 -0.69 115.11 120.54 2jla h GLN 515 Ca 0.23 -0.20 -0.19 0.00 -0.15 0.00 0.00 58.65 58.34 2jla h GLN 515 Cb 0.09 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 2jla h GLN 515 CO -0.03 0.84 -0.81 0.93 -2.65 0.00 0.00 178.83 177.11 2jla h GLU 516 N 0.92 0.26 -0.37 1.69 5.08 -1.82 -2.72 114.58 117.63 2jla h GLU 516 Ca 0.20 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2jla h GLU 516 Cb 0.30 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2jla h GLU 516 CO -0.00 0.94 0.03 1.25 -1.00 0.00 0.00 179.01 180.23 2jla h LEU 517 N 0.16 0.61 -1.83 1.33 5.85 -0.48 -1.57 115.31 119.37 2jla h LEU 517 Ca -0.04 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 2jla h LEU 517 Cb 1.41 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 2jla h LEU 517 CO 0.13 0.74 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.51 2jla h GLU 518 N 0.45 0.00 0.00 1.25 5.08 -1.15 -1.99 114.58 118.22 2jla h GLU 518 Ca 0.11 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.27 2jla h GLU 518 Cb 0.41 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 2jla h GLU 518 CO 0.01 0.13 -1.00 1.15 -1.00 0.00 0.00 179.01 178.30 2jla h THR 519 N 0.00 1.40 -0.48 1.13 2.02 -1.24 -1.56 112.91 114.18 2jla h THR 519 Ca -0.00 -3.05 -0.11 0.00 0.77 0.00 0.00 66.41 64.02 2jla h THR 519 Cb 0.25 2.68 -0.02 0.00 -1.74 0.00 0.00 68.15 69.32 2jla h THR 519 CO 0.02 0.80 -0.12 0.00 0.37 0.00 0.00 175.52 176.58 2jla h ALA 520 N 1.11 0.88 -0.30 6.16 0.00 -0.96 -2.76 119.26 123.39 2jla h ALA 520 Ca -0.05 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 2jla h ALA 520 Cb 1.72 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 2jla h ALA 520 CO 0.11 0.64 -0.29 0.74 0.00 0.00 0.00 179.25 180.45 2jla h PHE 521 N 0.80 0.87 -0.64 0.00 0.04 -1.22 -1.47 116.94 115.32 2jla h PHE 521 Ca 0.13 -0.26 0.08 0.00 2.80 0.00 0.00 57.97 60.72 2jla h PHE 521 Cb 0.65 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.55 2jla h PHE 521 CO 0.04 1.01 0.30 0.00 -0.60 0.00 0.00 178.31 179.06 2jla h ALA 522 N 0.72 0.85 -0.18 2.45 0.00 -1.27 -1.57 119.26 120.26 2jla h ALA 522 Ca 0.05 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2jla h ALA 522 Cb 0.86 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2jla h ALA 522 CO 0.07 -0.08 -0.19 0.22 0.00 0.00 0.00 179.25 179.27 2jla h ASP 523 N 0.54 0.47 -0.28 0.00 3.58 -1.43 -3.33 116.42 115.97 2jla h ASP 523 Ca 0.30 -0.49 0.06 0.00 0.42 0.00 0.00 57.03 57.33 2jla h ASP 523 Cb 0.29 -0.13 -0.06 0.00 1.72 0.00 0.00 39.33 41.15 2jla h ASP 523 CO -0.24 0.86 -0.13 0.00 -2.88 0.00 0.00 179.24 176.85 2jla h ALA 524 N 0.62 0.10 0.00 -0.78 0.00 -0.79 -2.51 119.26 115.91 2jla h ALA 524 Ca 0.03 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2jla h ALA 524 Cb 0.74 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2jla h ALA 524 CO 0.05 -0.53 0.00 0.91 0.00 0.00 0.00 179.25 179.68 2jla n TRP 525 N -5.30 0.00 0.79 0.00 5.03 -0.64 -3.44 117.44 113.88 2jla n TRP 525 Ca -0.00 0.00 0.13 0.00 3.03 0.00 0.00 57.50 60.66 2jla n TRP 525 Cb 0.22 -0.02 0.47 0.00 -1.03 0.00 0.00 31.31 30.95 2jla n TRP 525 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 2jla n ARG 526 N -1.02 0.15 -3.78 -0.99 1.74 -0.94 -4.81 116.66 107.00 2jla n ARG 526 Ca 0.13 0.11 -0.13 0.00 -0.77 0.00 0.00 57.85 57.20 2jla n ARG 526 Cb 0.07 -1.66 -0.13 0.00 -1.02 0.00 0.00 32.46 29.72 2jla n ARG 526 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2jla s THR 527 N -3.06 -0.01 -1.23 0.55 -1.32 -1.22 -5.07 115.64 104.27 2jla s THR 527 Ca 0.12 0.05 -0.13 0.00 -1.21 0.00 0.00 61.69 60.53 2jla s THR 527 Cb 0.15 -0.30 -0.06 0.00 -1.51 0.00 0.00 72.50 70.79 2jla s THR 527 CO 0.58 0.02 2.34 -0.81 -2.21 0.00 0.00 174.62 174.55 2jla n PRO 528 N 3.40 2.63 -4.27 7.08 -0.04 -1.26 -3.35 135.00 139.18 2jla n PRO 528 Ca -0.17 -2.06 -0.19 0.00 -0.04 0.00 0.00 63.50 61.04 2jla n PRO 528 Cb 0.57 -2.88 -0.08 0.00 -0.04 0.00 0.00 33.50 31.07 2jla n PRO 528 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2jla s THR 529 N 3.34 0.00 -0.19 0.52 -4.23 -1.26 -4.53 115.64 109.29 2jla s THR 529 Ca 0.54 -1.98 -0.06 0.00 -1.18 0.00 0.00 61.69 59.01 2jla s THR 529 Cb 0.14 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 2jla s THR 529 CO -0.03 0.00 0.02 -0.89 -0.54 0.00 0.00 174.62 173.18 2jla s THR 530 N -3.46 4.23 -0.12 3.99 2.01 -1.26 -1.30 115.64 119.73 2jla s THR 530 Ca 0.40 -0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.17 2jla s THR 530 Cb 0.02 -2.90 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 2jla s THR 530 CO 0.27 0.45 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.67 2jla s THR 531 N 0.68 3.49 -0.31 -0.82 2.01 -0.01 -3.84 115.64 116.85 2jla s THR 531 Ca 0.01 -0.52 -0.12 0.00 0.31 0.00 0.00 61.69 61.37 2jla s THR 531 Cb -0.14 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 2jla s THR 531 CO 0.02 0.53 0.21 -0.69 -0.69 0.00 0.00 174.62 174.01 2jla s VAL 532 N 0.03 5.30 -0.39 3.82 1.01 0.18 -0.42 120.40 129.93 2jla s VAL 532 Ca -0.02 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 2jla s VAL 532 Cb -0.14 -3.61 0.09 0.00 0.00 0.00 0.00 36.38 32.72 2jla s VAL 532 CO 0.03 0.14 0.19 -0.63 0.00 0.00 0.00 175.10 174.83 2jla s ILE 533 N 1.75 3.59 0.16 2.22 1.01 -0.12 -1.30 121.20 128.50 2jla s ILE 533 Ca 0.07 -1.68 -0.02 0.00 0.00 0.00 0.00 60.65 59.02 2jla s ILE 533 Cb -0.17 -3.28 0.04 0.00 0.01 0.00 0.00 42.46 39.06 2jla s ILE 533 CO 0.11 -0.51 0.22 1.21 0.00 0.00 0.00 174.94 175.97 2jla n GLU 534 N 4.72 -0.07 -3.46 2.79 2.13 -0.60 -1.43 120.64 124.73 2jla n GLU 534 Ca -0.07 -0.38 0.01 0.00 0.66 0.00 0.00 57.16 57.38 2jla n GLU 534 Cb 0.42 -0.21 -0.05 0.00 0.27 0.00 0.00 31.44 31.87 2jla n GLU 534 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2jla s VAL 536 N -1.25 -0.17 0.06 6.31 1.01 -1.26 -4.15 120.40 120.94 2jla s VAL 536 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.11 2jla s VAL 536 Cb -0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2jla s VAL 536 CO 0.09 0.00 -0.05 -0.69 0.00 0.00 0.00 175.10 174.45 2jla s VAL 537 N 1.78 0.41 0.01 2.92 1.01 -0.43 -4.95 120.40 121.15 2jla s VAL 537 Ca -0.05 -1.47 -0.30 0.00 0.00 0.00 0.00 61.98 60.17 2jla s VAL 537 Cb -0.03 -1.06 -0.06 0.00 0.00 0.00 0.00 36.38 35.22 2jla s VAL 537 CO -0.15 -0.70 1.55 0.20 0.00 0.00 0.00 175.10 176.00 2jla s ASN 538 N -2.30 6.72 0.23 3.32 0.02 -1.26 -4.27 114.94 117.40 2jla s ASN 538 Ca -0.01 2.27 0.04 0.00 -1.02 0.00 0.00 52.86 54.13 2jla s ASN 538 Cb -0.01 -2.55 0.63 0.00 0.02 0.00 0.00 41.25 39.33 2jla s ASN 538 CO -0.04 -0.83 1.15 -0.90 0.02 0.00 0.00 177.10 176.50 2jla n ASP 539 N 5.91 -0.03 -0.32 -1.22 5.75 -1.26 -1.85 116.55 123.53 2jla n ASP 539 Ca 0.15 1.24 0.04 0.00 -0.01 0.00 0.00 54.79 56.21 2jla n ASP 539 Cb 0.42 -0.47 0.04 0.00 -1.03 0.00 0.00 41.12 40.08 2jla n ASP 539 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 2jla n THR 540 N -4.95 0.12 -0.25 2.12 5.66 -1.26 -4.63 114.28 111.09 2jla n THR 540 Ca 0.19 -0.56 -0.07 0.00 -3.05 0.00 0.00 64.05 60.56 2jla n THR 540 Cb 0.62 1.08 0.05 0.00 -1.55 0.00 0.00 70.33 70.53 2jla n THR 540 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2jla h ASP 541 N 1.49 0.97 -0.30 1.09 5.19 -1.77 -2.69 116.42 120.40 2jla h ASP 541 Ca 0.00 -0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.20 2jla h ASP 541 Cb 0.36 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 2jla h ASP 541 CO 0.00 0.89 0.10 1.23 -3.12 0.00 0.00 179.24 178.33 2jla h GLY 542 N 0.99 0.50 1.02 2.75 0.00 -1.82 -1.21 103.07 105.31 2jla h GLY 542 Ca 0.23 -0.29 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 2jla h GLY 542 CO -0.02 0.27 -0.01 0.00 0.00 0.00 0.00 176.54 176.79 2jla h ALA 543 N 0.93 0.69 -0.63 3.60 0.00 -1.87 -2.37 119.26 119.60 2jla h ALA 543 Ca 0.10 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2jla h ALA 543 Cb 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2jla h ALA 543 CO -0.00 0.51 0.19 1.96 0.00 0.00 0.00 179.25 181.91 2jla h GLN 544 N 0.78 0.99 -0.71 0.00 4.20 -1.44 -1.51 115.11 117.41 2jla h GLN 544 Ca 0.14 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 2jla h GLN 544 Cb 0.53 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 2jla h GLN 544 CO 0.03 0.87 0.28 1.15 -0.67 0.00 0.00 178.83 180.49 2jla h THR 545 N 0.91 1.25 -0.12 -0.54 2.02 -1.14 -0.15 112.91 115.14 2jla h THR 545 Ca 0.20 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.59 2jla h THR 545 Cb 0.30 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2jla h THR 545 CO -0.01 0.32 0.07 0.25 0.37 0.00 0.00 175.52 176.53 2jla h LEU 546 N 1.03 0.14 -0.54 2.58 5.85 -1.29 -0.38 115.31 122.70 2jla h LEU 546 Ca 0.24 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 2jla h LEU 546 Cb 0.23 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2jla h LEU 546 CO -0.02 0.12 0.27 1.56 -0.34 0.00 0.00 178.44 180.04 2jla h GLN 547 N 0.14 0.77 -0.26 1.25 4.20 -1.01 0.04 115.11 120.24 2jla h GLN 547 Ca 0.04 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2jla h GLN 547 Cb 0.01 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 2jla h GLN 547 CO -0.01 0.62 0.17 1.96 -0.67 0.00 0.00 178.83 180.90 2jla h GLN 548 N 0.72 0.34 -0.63 1.46 4.20 -0.94 -1.35 115.11 118.91 2jla h GLN 548 Ca 0.19 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.81 2jla h GLN 548 Cb 0.09 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2jla h GLN 548 CO -0.03 0.23 0.12 -0.07 -0.67 0.00 0.00 178.83 178.41 2jla h LEU 549 N 0.35 0.97 -0.24 1.46 3.38 -0.84 0.21 115.31 120.60 2jla h LEU 549 Ca 0.09 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.91 2jla h LEU 549 Cb -0.04 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.40 2jla h LEU 549 CO -0.02 0.95 -0.11 0.25 0.09 0.00 0.00 178.44 179.60 2jla h LEU 550 N 0.96 -0.38 -0.33 1.67 5.85 -0.82 -1.24 115.31 121.02 2jla h LEU 550 Ca 0.20 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2jla h LEU 550 Cb 0.39 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2jla h LEU 550 CO 0.01 -0.15 0.11 0.00 -0.34 0.00 0.00 178.44 178.07 2jla h ALA 551 N 1.11 0.44 0.36 1.25 0.00 -0.73 -1.40 119.26 120.29 2jla h ALA 551 Ca 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jla h ALA 551 Cb 0.28 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2jla h ALA 551 CO -0.29 0.07 -0.45 0.37 0.00 0.00 0.00 179.25 178.95 2jla h GLN 552 N 0.39 -0.81 -0.87 0.00 4.15 -0.49 -2.64 115.11 114.83 2jla h GLN 552 Ca 0.11 0.06 0.13 0.00 0.77 0.00 0.00 58.65 59.71 2jla h GLN 552 Cb 0.23 0.18 -0.09 0.00 0.21 0.00 0.00 27.48 28.02 2jla h GLN 552 CO -0.00 -0.54 0.48 0.28 -1.93 0.00 0.00 178.83 177.12 2jla h VAL 553 N -0.84 0.81 0.00 2.39 2.07 -1.16 -1.75 116.25 117.76 2jla h VAL 553 Ca -0.03 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2jla h VAL 553 Cb 0.77 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2jla h VAL 553 CO -0.12 0.13 0.00 -1.54 0.02 0.00 0.00 177.57 176.07 2jla n SER 554 N -4.79 0.00 -0.02 0.57 3.41 -0.53 -1.42 113.62 110.83 2jla n SER 554 Ca 0.17 0.39 0.08 0.00 -0.26 0.00 0.00 58.87 59.24 2jla n SER 554 Cb 0.38 -0.43 -0.16 0.00 -0.26 0.00 0.00 64.21 63.74 2jla n SER 554 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2jla n HIS 555 N -1.43 0.00 0.00 7.33 8.25 -0.66 -4.66 115.22 124.05 2jla n HIS 555 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2jla n HIS 555 Cb 0.09 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.63 2jla n HIS 555 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26