#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 -0.58 2.46 2.07 -1.98 -1.97 116.25 117.53 2jla h VAL 3 Ca 0.00 -1.66 0.06 0.00 0.82 0.00 0.00 66.70 65.92 2jla h VAL 3 Cb 0.00 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 2jla h VAL 3 CO 0.00 0.54 0.29 -1.28 0.02 0.00 0.00 177.57 177.14 2jla h SER 4 N 0.65 0.40 -0.45 0.57 0.87 -1.83 -1.32 113.55 112.44 2jla h SER 4 Ca 0.03 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.52 2jla h SER 4 Cb 1.09 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.00 2jla h SER 4 CO 0.11 0.26 -0.15 0.00 -0.53 0.00 0.00 176.83 176.52 2jla h ALA 5 N 1.33 0.62 -0.27 6.23 0.00 -1.80 -3.06 119.26 122.30 2jla h ALA 5 Ca 0.27 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2jla h ALA 5 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2jla h ALA 5 CO -0.20 0.55 -0.18 0.35 0.00 0.00 0.00 179.25 179.77 2jla h PHE 6 N 0.73 0.71 -0.85 0.00 3.57 -1.07 -2.26 116.94 117.78 2jla h PHE 6 Ca 0.11 -0.19 0.21 0.00 3.53 0.00 0.00 57.97 61.63 2jla h PHE 6 Cb 0.70 -0.16 -0.14 0.00 2.79 0.00 0.00 35.95 39.14 2jla h PHE 6 CO 0.05 0.88 0.10 -0.91 -2.23 0.00 0.00 178.31 176.20 2jla h ASN 7 N 0.34 -0.24 0.19 0.41 2.35 -1.29 0.28 115.58 117.62 2jla h ASN 7 Ca 0.05 0.21 -0.15 0.00 -0.55 0.00 0.00 56.30 55.87 2jla h ASN 7 Cb 0.72 0.34 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 2jla h ASN 7 CO 0.05 -0.20 -0.56 0.03 -1.65 0.00 0.00 177.43 175.10 2jla h ARG 8 N 0.13 0.39 -0.21 0.81 3.08 -1.39 -0.17 114.38 117.01 2jla h ARG 8 Ca 0.50 -0.25 -0.17 0.00 0.07 0.00 0.00 59.98 60.13 2jla h ARG 8 Cb 0.96 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 2jla h ARG 8 CO -0.71 0.84 -0.56 0.00 -1.07 0.00 0.00 179.97 178.48 2jla h ARG 9 N 0.30 0.64 0.57 0.04 2.47 -0.57 -1.35 114.38 116.48 2jla h ARG 9 Ca 0.00 -0.41 -0.02 0.00 -1.26 0.00 0.00 59.98 58.29 2jla h ARG 9 Cb 1.07 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.43 2jla h ARG 9 CO 0.09 1.02 -0.36 2.35 0.56 0.00 0.00 179.97 183.64 2jla h TRP 10 N 0.49 -0.96 -0.87 3.04 2.91 -0.27 -2.45 115.95 117.83 2jla h TRP 10 Ca 0.01 -0.01 0.12 0.00 1.13 0.00 0.00 58.89 60.14 2jla h TRP 10 Cb 1.12 0.34 -0.08 0.00 -0.51 0.00 0.00 29.16 30.03 2jla h TRP 10 CO 0.05 -0.55 0.50 0.00 -1.03 0.00 0.00 178.44 177.41 2jla h ALA 11 N -0.54 1.29 -0.64 2.65 0.00 -1.06 -2.17 119.26 118.80 2jla h ALA 11 Ca -0.07 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2jla h ALA 11 Cb 0.73 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 2jla h ALA 11 CO 0.06 0.06 0.33 0.00 0.00 0.00 0.00 179.25 179.70 2jla h ALA 12 N 1.51 0.85 -0.41 0.00 0.00 -1.06 -0.79 119.26 119.36 2jla h ALA 12 Ca 0.44 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 2jla h ALA 12 Cb 0.50 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2jla h ALA 12 CO -0.29 -0.03 0.22 0.28 0.00 0.00 0.00 179.25 179.43 2jla h VAL 13 N 0.60 1.16 -0.28 0.00 2.07 -0.93 -0.62 116.25 118.25 2jla h VAL 13 Ca 0.30 -0.43 0.06 0.00 0.82 0.00 0.00 66.70 67.45 2jla h VAL 13 Cb 0.24 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 2jla h VAL 13 CO -0.21 0.17 -0.10 0.40 0.02 0.00 0.00 177.57 177.85 2jla h ILE 14 N 0.53 0.65 -0.06 4.57 2.04 -0.78 -1.43 117.51 123.04 2jla h ILE 14 Ca 0.14 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.93 2jla h ILE 14 Cb 0.07 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2jla h ILE 14 CO -0.02 0.00 -0.25 -0.07 0.00 0.00 0.00 178.15 177.81 2jla h LEU 15 N -0.05 0.32 -0.79 1.44 3.38 -1.02 -2.59 115.31 116.00 2jla h LEU 15 Ca 0.14 -0.65 0.09 0.00 0.09 0.00 0.00 57.88 57.56 2jla h LEU 15 Cb 0.26 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 2jla h LEU 15 CO -0.32 0.91 0.44 -0.08 0.09 0.00 0.00 178.44 179.48 2jla h GLU 16 N -0.25 0.71 -0.46 1.13 4.57 -1.12 -1.52 114.58 117.65 2jla h GLU 16 Ca -0.02 -0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.21 2jla h GLU 16 Cb 0.90 -0.16 -0.08 0.00 -0.16 0.00 0.00 28.75 29.25 2jla h GLU 16 CO 0.05 0.47 -0.04 0.00 -1.18 0.00 0.00 179.01 178.31 2jla h ALA 17 N 1.45 0.38 -0.02 2.92 0.00 -1.13 0.49 119.26 123.36 2jla h ALA 17 Ca 0.38 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.45 2jla h ALA 17 Cb 0.37 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2jla h ALA 17 CO -0.25 -0.41 0.02 -0.07 0.00 0.00 0.00 179.25 178.54 2jla h LEU 18 N 0.07 0.00 -1.21 0.00 3.38 -0.89 -2.12 115.31 114.53 2jla h LEU 18 Ca 0.23 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.32 2jla h LEU 18 Cb 0.34 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 2jla h LEU 18 CO -0.41 0.00 0.58 0.74 0.09 0.00 0.00 178.44 179.44 2jla h THR 19 N 0.00 0.90 -0.19 0.22 2.02 -0.40 -2.68 112.91 112.78 2jla h THR 19 Ca 0.01 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.91 2jla h THR 19 Cb 0.06 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 2jla h THR 19 CO -0.00 0.15 0.00 0.54 0.37 0.00 0.00 175.52 176.58 2jla n ARG 20 N -4.56 1.49 -0.17 6.66 5.12 -0.80 -2.73 116.66 121.67 2jla n ARG 20 Ca 0.17 -0.76 0.05 0.00 -1.93 0.00 0.00 57.85 55.38 2jla n ARG 20 Cb 0.39 -1.22 0.07 0.00 -1.16 0.00 0.00 32.46 30.53 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 0.08 0.00 -1.33 -1.55 8.25 -1.03 -4.29 115.22 115.36 2jla n HIS 21 Ca 0.10 -0.55 -0.02 0.00 -0.26 0.00 0.00 57.72 56.99 2jla n HIS 21 Cb 0.20 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 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 -0.76 0.46 3.61 -1.41 0.00 -1.10 -4.60 105.19 101.39 2jla n GLY 22 Ca 0.08 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.08 4.02 -0.08 1.61 1.01 -1.13 -4.32 120.40 119.44 2jla s VAL 23 Ca 0.00 1.10 0.05 0.00 0.00 0.00 0.00 61.98 63.13 2jla s VAL 23 Cb 0.00 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 2jla s VAL 23 CO 0.00 -0.63 -0.01 -1.14 0.00 0.00 0.00 175.10 173.32 2jla n ARG 24 N 7.71 1.97 -3.65 2.72 0.63 -1.26 -4.55 116.66 120.23 2jla n ARG 24 Ca 0.15 0.02 -0.37 0.00 -0.92 0.00 0.00 57.85 56.73 2jla n ARG 24 Cb 0.47 -1.19 -0.07 0.00 0.45 0.00 0.00 32.46 32.13 2jla n ARG 24 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2jla s HIS 25 N -2.18 3.53 0.03 -0.14 3.76 -1.26 -0.61 115.29 118.42 2jla s HIS 25 Ca -0.07 0.60 0.05 0.00 -0.15 0.00 0.00 55.06 55.50 2jla s HIS 25 Cb 0.03 -2.20 -0.02 0.00 1.11 0.00 0.00 32.58 31.49 2jla s HIS 25 CO 0.28 0.44 -0.16 0.96 -0.85 0.00 0.00 174.74 175.40 2jla s ILE 26 N -0.18 1.28 -0.12 0.60 -4.36 -1.08 -1.14 121.20 116.20 2jla s ILE 26 Ca 0.16 -0.97 0.00 0.00 -0.26 0.00 0.00 60.65 59.58 2jla s ILE 26 Cb -0.13 -1.13 -0.01 0.00 1.25 0.00 0.00 42.46 42.44 2jla s ILE 26 CO 0.05 0.14 -0.14 0.00 0.24 0.00 0.00 174.94 175.22 2jla s ILE 28 N 0.26 1.78 0.24 0.00 1.01 0.21 0.57 121.20 125.26 2jla s ILE 28 Ca -0.10 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 59.80 2jla s ILE 28 Cb -0.16 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 2jla s ILE 28 CO 0.06 0.49 0.35 0.00 0.00 0.00 0.00 174.94 175.85 2jla s ALA 29 N 0.97 3.92 0.47 9.38 0.00 -0.88 -2.45 121.76 133.17 2jla s ALA 29 Ca -0.05 -1.24 -0.20 0.00 0.00 0.00 0.00 51.96 50.47 2jla s ALA 29 Cb -0.15 -1.71 -0.10 0.00 0.00 0.00 0.00 23.12 21.16 2jla s ALA 29 CO -0.03 0.24 0.98 -1.25 0.00 0.00 0.00 175.76 175.70 2jla s PRO 30 N -3.98 4.04 -0.08 0.00 0.04 -1.26 -4.73 135.00 129.03 2jla s PRO 30 Ca 0.34 1.14 -0.32 0.00 0.04 0.00 0.00 61.00 62.20 2jla s PRO 30 Cb -0.09 -2.15 0.14 0.00 0.04 0.00 0.00 34.50 32.44 2jla s PRO 30 CO 0.29 -0.20 1.39 0.20 0.04 0.00 0.00 177.00 178.72 2jla s GLY 31 N -2.34 -0.47 -0.27 0.56 0.00 -1.26 -4.64 107.32 98.91 2jla s GLY 31 Ca 0.63 0.93 -0.12 0.00 0.00 0.00 0.00 44.72 46.15 2jla s GLY 31 CO 0.19 0.18 -0.34 -1.26 0.00 0.00 0.00 173.10 171.87 2jla n SER 32 N -0.47 1.92 0.30 1.64 2.88 -1.26 -4.48 113.62 114.15 2jla n SER 32 Ca -0.09 0.29 0.20 0.00 -1.33 0.00 0.00 58.87 57.94 2jla n SER 32 Cb 0.63 -0.77 0.93 0.00 -0.75 0.00 0.00 64.21 64.25 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 -0.90 0.00 -0.00 -1.46 9.65 -1.97 -1.17 114.38 118.53 2jla h ARG 33 Ca -0.68 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.20 2jla h ARG 33 Cb 1.63 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.21 2jla h ARG 33 CO -0.39 0.00 -0.02 -1.13 2.80 0.00 0.00 179.97 181.23 2jla n SER 34 N -3.03 0.36 -0.16 -3.80 3.41 -1.26 -4.43 113.62 104.70 2jla n SER 34 Ca -0.01 -0.95 -0.04 0.00 -0.26 0.00 0.00 58.87 57.61 2jla n SER 34 Cb 0.19 -0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.12 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 0.53 0.32 -0.58 6.66 2.02 -1.43 0.22 112.91 120.65 2jla h THR 35 Ca 0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 2jla h THR 35 Cb 0.18 0.32 -0.08 0.00 -1.74 0.00 0.00 68.15 66.83 2jla h THR 35 CO 0.00 0.00 0.11 -0.65 0.37 0.00 0.00 175.52 175.35 2jla h PRO 36 N -0.12 0.24 -0.05 6.66 0.11 -1.84 0.16 132.00 137.16 2jla h PRO 36 Ca 0.23 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 2jla h PRO 36 Cb 0.48 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 2jla h PRO 36 CO -0.58 0.16 -0.04 -0.07 -0.21 0.00 0.00 178.00 177.26 2jla h LEU 37 N 0.25 0.11 -0.72 2.35 3.38 -1.34 -2.08 115.31 117.26 2jla h LEU 37 Ca 0.31 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2jla h LEU 37 Cb 0.45 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2jla h LEU 37 CO -0.40 0.55 0.44 0.74 0.09 0.00 0.00 178.44 179.86 2jla h THR 38 N -0.32 1.20 -0.01 0.22 2.02 -0.44 -1.05 112.91 114.53 2jla h THR 38 Ca 0.01 -0.43 -0.17 0.00 0.77 0.00 0.00 66.41 66.59 2jla h THR 38 Cb 0.51 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2jla h THR 38 CO 0.01 0.21 -0.75 -0.07 0.37 0.00 0.00 175.52 175.29 2jla h LEU 39 N 0.98 0.15 -0.47 2.58 3.38 -0.71 -1.33 115.31 119.89 2jla h LEU 39 Ca 0.26 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 2jla h LEU 39 Cb -0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2jla h LEU 39 CO -0.05 0.84 -0.06 0.00 0.09 0.00 0.00 178.44 179.26 2jla h ALA 40 N 1.15 0.64 -0.09 1.53 0.00 -1.22 -2.18 119.26 119.09 2jla h ALA 40 Ca -0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 2jla h ALA 40 Cb 1.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2jla h ALA 40 CO 0.11 0.50 -0.42 0.00 0.00 0.00 0.00 179.25 179.44 2jla h ALA 41 N 0.90 1.14 -0.33 0.00 0.00 -1.10 -2.82 119.26 117.05 2jla h ALA 41 Ca 0.13 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 2jla h ALA 41 Cb 0.59 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2jla h ALA 41 CO 0.04 0.58 -0.31 0.00 0.00 0.00 0.00 179.25 179.56 2jla h ALA 42 N 1.41 0.49 -0.00 0.00 0.00 -1.17 -3.12 119.26 116.87 2jla h ALA 42 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jla h ALA 42 Cb 0.81 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2jla h ALA 42 CO 0.06 0.53 -0.02 -0.85 0.00 0.00 0.00 179.25 178.97 2jla n GLU 43 N -4.19 0.43 -3.12 0.00 0.28 -0.83 -4.73 120.64 108.48 2jla n GLU 43 Ca -0.03 -0.02 -0.42 0.00 -0.16 0.00 0.00 57.16 56.52 2jla n GLU 43 Cb 0.49 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.79 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 -2.58 6.36 0.00 -1.84 3.84 -1.07 -4.95 114.94 114.69 2jla s ASN 44 Ca 0.28 -0.15 0.25 0.00 0.21 0.00 0.00 52.86 53.44 2jla s ASN 44 Cb 0.20 -2.32 1.41 0.00 -0.55 0.00 0.00 41.25 39.99 2jla s ASN 44 CO 0.47 -0.70 1.83 -1.54 -2.79 0.00 0.00 177.10 174.37 2jla n SER 45 N 6.15 0.00 0.15 -4.21 3.41 -1.26 -3.00 113.62 114.87 2jla n SER 45 Ca -0.02 -0.59 0.13 0.00 -0.26 0.00 0.00 58.87 58.14 2jla n SER 45 Cb 0.48 -0.08 0.52 0.00 -0.26 0.00 0.00 64.21 64.88 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 3.44 1.00 -3.14 7.33 0.00 -1.93 -3.46 119.26 122.50 2jla h ALA 46 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 2jla h ALA 46 Cb 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.75 2jla h ALA 46 CO 0.00 0.00 -0.59 -0.06 0.00 0.00 0.00 179.25 178.60 2jla s PHE 47 N -3.37 3.25 -0.39 0.00 0.08 -1.16 -4.74 117.98 111.65 2jla s PHE 47 Ca 0.04 0.17 -0.13 0.00 0.12 0.00 0.00 56.93 57.13 2jla s PHE 47 Cb 0.09 -1.71 0.02 0.00 -0.57 0.00 0.00 43.02 40.85 2jla s PHE 47 CO 0.42 0.54 0.26 0.42 -0.10 0.00 0.00 175.22 176.76 2jla s ILE 48 N -1.22 4.99 -0.10 0.64 1.01 0.22 -5.03 121.20 121.72 2jla s ILE 48 Ca 0.24 -0.71 -0.21 0.00 0.00 0.00 0.00 60.65 59.97 2jla s ILE 48 Cb -0.12 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 2jla s ILE 48 CO 0.15 -0.26 0.59 -1.00 0.00 0.00 0.00 174.94 174.42 2jla s HIS 49 N 1.63 3.54 -0.03 3.97 3.76 -1.26 -2.65 115.29 124.24 2jla s HIS 49 Ca 0.04 1.07 0.06 0.00 -0.15 0.00 0.00 55.06 56.08 2jla s HIS 49 Cb -0.19 -2.69 -0.01 0.00 1.11 0.00 0.00 32.58 30.80 2jla s HIS 49 CO 0.09 0.11 -0.23 -1.01 -0.85 0.00 0.00 174.74 172.85 2jla s HIS 50 N 0.77 2.17 0.14 1.40 3.76 -0.60 -5.00 115.29 117.92 2jla s HIS 50 Ca 0.32 -0.52 0.10 0.00 -0.15 0.00 0.00 55.06 54.81 2jla s HIS 50 Cb -0.16 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.07 2jla s HIS 50 CO 0.14 -0.11 -0.24 0.95 -0.85 0.00 0.00 174.74 174.62 2jla s THR 51 N -0.34 2.13 0.11 1.30 -4.23 -1.26 0.63 115.64 113.98 2jla s THR 51 Ca 0.03 -1.79 -0.15 0.00 -1.18 0.00 0.00 61.69 58.60 2jla s THR 51 Cb -0.11 -1.92 0.03 0.00 1.34 0.00 0.00 72.50 71.84 2jla s THR 51 CO 0.01 -0.02 0.37 -2.28 -0.54 0.00 0.00 174.62 172.16 2jla s HIS 52 N -1.30 -0.17 -0.13 3.99 2.46 -1.02 -4.94 115.29 114.18 2jla s HIS 52 Ca 0.14 -0.12 0.19 0.00 0.47 0.00 0.00 55.06 55.75 2jla s HIS 52 Cb -0.09 0.21 -0.20 0.00 -0.13 0.00 0.00 32.58 32.37 2jla s HIS 52 CO 0.07 -0.66 0.61 1.97 -2.47 0.00 0.00 174.74 174.26 2jla n PHE 53 N -0.07 0.53 -3.21 3.88 1.16 -1.26 -4.14 117.46 114.34 2jla n PHE 53 Ca -0.16 0.17 -0.42 0.00 -1.87 0.00 0.00 57.45 55.16 2jla n PHE 53 Cb 0.63 -0.90 -0.08 0.00 -1.61 0.00 0.00 39.48 37.52 2jla n PHE 53 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2jla s ASP 54 N -5.34 6.30 0.37 5.98 -1.08 -1.26 -4.91 116.67 116.73 2jla s ASP 54 Ca -0.05 -0.26 0.07 0.00 -0.52 0.00 0.00 52.55 51.78 2jla s ASP 54 Cb 0.10 -2.28 0.73 0.00 -1.46 0.00 0.00 42.92 40.01 2jla s ASP 54 CO 0.84 -0.60 1.93 -0.33 0.52 0.00 0.00 175.17 177.53 2jla h GLU 55 N 8.65 0.43 -0.25 4.34 3.07 -1.90 0.60 114.58 129.53 2jla h GLU 55 Ca -0.27 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 58.50 2jla h GLU 55 Cb 1.11 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 2jla h GLU 55 CO 0.82 0.45 0.11 -0.09 -1.40 0.00 0.00 179.01 178.89 2jla h ARG 56 N 0.42 0.37 -0.22 2.33 2.43 -1.89 -1.39 114.38 116.44 2jla h ARG 56 Ca 0.10 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 2jla h ARG 56 Cb 0.25 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 2jla h ARG 56 CO 0.00 0.40 -0.07 0.78 -1.51 0.00 0.00 179.97 179.57 2jla h GLY 57 N 0.26 0.14 -0.34 2.80 0.00 -1.75 -2.41 103.07 101.77 2jla h GLY 57 Ca 0.08 0.09 0.11 0.00 0.00 0.00 0.00 47.33 47.61 2jla h GLY 57 CO -0.01 -0.10 -0.28 -2.00 0.00 0.00 0.00 176.54 174.15 2jla h LEU 58 N -0.02 -0.98 -0.49 3.11 5.85 -0.67 0.36 115.31 122.46 2jla h LEU 58 Ca 0.11 0.21 0.10 0.00 0.84 0.00 0.00 57.88 59.14 2jla h LEU 58 Cb 0.19 0.51 -0.09 0.00 0.37 0.00 0.00 40.66 41.64 2jla h LEU 58 CO -0.24 -0.28 -0.04 1.23 -0.34 0.00 0.00 178.44 178.76 2jla h GLY 59 N -0.13 0.45 1.92 3.75 0.00 -0.79 -0.57 103.07 107.69 2jla h GLY 59 Ca 0.24 0.10 -0.12 0.00 0.00 0.00 0.00 47.33 47.56 2jla h GLY 59 CO -0.65 -0.16 -0.53 0.45 0.00 0.00 0.00 176.54 175.65 2jla h HIS 60 N 0.07 0.11 -0.13 5.60 3.86 -0.57 0.16 115.15 124.25 2jla h HIS 60 Ca 0.25 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 2jla h HIS 60 Cb 0.38 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 2jla h HIS 60 CO -0.35 0.60 0.06 1.25 0.86 0.00 0.00 177.93 180.35 2jla h LEU 61 N 0.07 0.18 -1.10 2.43 5.85 0.51 -1.86 115.31 121.38 2jla h LEU 61 Ca -0.00 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.59 2jla h LEU 61 Cb 0.96 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 2jla h LEU 61 CO 0.07 0.27 0.58 0.00 -0.34 0.00 0.00 178.44 179.01 2jla h ALA 62 N 0.92 1.34 -0.62 1.25 0.00 -0.75 -2.17 119.26 119.24 2jla h ALA 62 Ca 0.05 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2jla h ALA 62 Cb 0.14 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2jla h ALA 62 CO -0.01 0.60 0.39 1.25 0.00 0.00 0.00 179.25 181.48 2jla h LEU 63 N 1.21 0.65 -0.35 0.00 5.85 -0.71 -1.50 115.31 120.46 2jla h LEU 63 Ca 0.32 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 2jla h LEU 63 Cb -0.12 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 2jla h LEU 63 CO -0.07 0.46 0.11 1.23 -0.34 0.00 0.00 178.44 179.83 2jla h GLY 64 N 0.77 0.58 0.47 3.75 0.00 -0.96 -0.50 103.07 107.19 2jla h GLY 64 Ca 0.24 -0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.27 2jla h GLY 64 CO -0.08 0.32 -0.18 1.41 0.00 0.00 0.00 176.54 178.00 2jla h LEU 65 N 0.42 -0.54 -0.87 3.11 3.38 -1.15 -2.00 115.31 117.65 2jla h LEU 65 Ca 0.11 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 2jla h LEU 65 Cb 0.24 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2jla h LEU 65 CO -0.00 -0.23 0.23 0.00 0.09 0.00 0.00 178.44 178.52 2jla h ALA 66 N 0.73 1.09 -0.36 1.53 0.00 -1.21 -1.31 119.26 119.73 2jla h ALA 66 Ca 0.08 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2jla h ALA 66 Cb 0.37 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2jla h ALA 66 CO -0.22 0.63 -0.00 -0.22 0.00 0.00 0.00 179.25 179.43 2jla h LYS 67 N 1.03 0.10 0.16 0.00 3.64 -0.68 0.15 116.57 120.97 2jla h LYS 67 Ca 0.23 -0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 59.36 2jla h LYS 67 Cb 0.27 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.09 2jla h LYS 67 CO -0.01 0.06 -1.15 0.28 -2.27 0.00 0.00 179.45 176.36 2jla h VAL 68 N 0.10 1.31 0.00 2.00 2.07 -1.33 -3.37 116.25 117.03 2jla h VAL 68 Ca 0.17 -2.53 -0.09 0.00 0.82 0.00 0.00 66.70 65.07 2jla h VAL 68 Cb 0.24 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 2jla h VAL 68 CO -0.29 0.74 -0.42 0.77 0.02 0.00 0.00 177.57 178.38 2jla h SER 69 N -0.23 0.00 -0.01 0.57 4.64 -1.14 -3.47 113.55 113.90 2jla h SER 69 Ca -0.22 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.10 2jla h SER 69 Cb 1.80 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.89 2jla h SER 69 CO 0.15 0.42 -0.00 0.29 -0.87 0.00 0.00 176.83 176.82 2jla n LYS 70 N -3.44 -1.28 -4.12 4.77 4.76 0.52 -5.00 118.16 114.38 2jla n LYS 70 Ca 0.00 0.33 -0.22 0.00 -2.87 0.00 0.00 58.31 55.56 2jla n LYS 70 Cb 0.58 -4.30 -0.04 0.00 -1.84 0.00 0.00 35.03 29.42 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 -1.32 2.91 0.47 1.97 -1.52 -1.26 -5.02 119.66 115.89 2jla s GLN 71 Ca 0.00 -1.05 -0.23 0.00 -1.95 0.00 0.00 55.36 52.13 2jla s GLN 71 Cb 0.00 -2.56 -0.07 0.00 -0.22 0.00 0.00 33.01 30.16 2jla s GLN 71 CO 0.00 0.41 1.22 -1.25 -0.25 0.00 0.00 175.29 175.41 2jla s PRO 72 N -3.77 3.65 -0.06 2.91 0.04 -1.26 -4.57 135.00 131.93 2jla s PRO 72 Ca 0.33 1.90 0.02 0.00 0.04 0.00 0.00 61.00 63.29 2jla s PRO 72 Cb -0.08 -2.41 0.02 0.00 0.04 0.00 0.00 34.50 32.07 2jla s PRO 72 CO 0.25 -0.68 -0.10 0.08 0.04 0.00 0.00 177.00 176.58 2jla s VAL 73 N -1.47 1.01 0.24 -0.36 1.01 -0.31 -4.19 120.40 116.32 2jla s VAL 73 Ca 0.65 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.24 2jla s VAL 73 Cb -0.32 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2jla s VAL 73 CO 0.39 0.33 0.40 0.00 0.00 0.00 0.00 175.10 176.22 2jla s ALA 74 N 0.76 3.84 -0.02 5.51 0.00 -0.29 -0.75 121.76 130.81 2jla s ALA 74 Ca -0.13 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2jla s ALA 74 Cb -0.15 -1.93 0.02 0.00 0.00 0.00 0.00 23.12 21.06 2jla s ALA 74 CO 0.03 0.30 0.02 0.08 0.00 0.00 0.00 175.76 176.18 2jla s VAL 75 N -1.98 -0.02 -0.20 0.00 1.01 -0.05 -0.26 120.40 118.90 2jla s VAL 75 Ca 0.37 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.48 2jla s VAL 75 Cb -0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 36.38 36.19 2jla s VAL 75 CO 0.30 0.08 -0.09 -0.63 0.00 0.00 0.00 175.10 174.76 2jla s ILE 76 N 0.81 3.06 0.22 2.22 1.01 0.19 -0.50 121.20 128.21 2jla s ILE 76 Ca -0.07 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.04 2jla s ILE 76 Cb -0.10 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 2jla s ILE 76 CO -0.02 0.46 -0.11 0.68 0.00 0.00 0.00 174.94 175.95 2jla s VAL 77 N 1.33 1.59 0.69 2.92 -7.23 -0.74 -2.07 120.40 116.89 2jla s VAL 77 Ca 0.04 -2.16 -0.04 0.00 -1.81 0.00 0.00 61.98 58.00 2jla s VAL 77 Cb -0.14 -2.13 0.08 0.00 0.56 0.00 0.00 36.38 34.75 2jla s VAL 77 CO -0.05 -0.53 0.98 0.28 -0.31 0.00 0.00 175.10 175.47 2jla s THR 78 N -3.06 2.32 0.86 5.32 -1.32 -1.26 -1.32 115.64 117.18 2jla s THR 78 Ca 0.24 -0.40 -0.11 0.00 -1.21 0.00 0.00 61.69 60.20 2jla s THR 78 Cb 0.01 -2.92 0.11 0.00 -1.51 0.00 0.00 72.50 68.20 2jla s THR 78 CO 0.07 0.00 1.09 -0.94 -2.21 0.00 0.00 174.62 172.64 2jla s SER 79 N -4.57 3.70 0.00 8.08 1.04 -1.07 -3.92 113.70 116.95 2jla s SER 79 Ca 0.62 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.69 2jla s SER 79 Cb -0.09 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2jla s SER 79 CO 0.44 -2.52 0.00 0.61 0.98 0.00 0.00 173.24 172.75 2jla n GLY 80 N -1.00 0.05 0.23 7.32 0.00 -1.26 -4.37 105.19 106.16 2jla n GLY 80 Ca 0.08 -1.85 0.16 0.00 0.00 0.00 0.00 46.02 44.41 2jla n GLY 80 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jla h THR 81 N 0.00 0.00 -0.98 2.61 1.35 -1.93 -2.26 112.91 111.70 2jla h THR 81 Ca 0.00 -0.30 0.17 0.00 -0.55 0.00 0.00 66.41 65.73 2jla h THR 81 Cb 0.00 1.17 -0.09 0.00 -1.73 0.00 0.00 68.15 67.50 2jla h THR 81 CO 0.00 0.00 0.61 0.00 -0.25 0.00 0.00 175.52 175.88 2jla h ALA 82 N 2.08 1.75 -0.22 6.62 0.00 -1.80 -1.53 119.26 126.16 2jla h ALA 82 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2jla h ALA 82 Cb 0.34 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jla h ALA 82 CO 0.00 -0.07 -0.27 0.28 0.00 0.00 0.00 179.25 179.19 2jla h VAL 83 N 0.75 1.33 -0.98 0.00 2.07 -1.52 -3.16 116.25 114.74 2jla h VAL 83 Ca 0.53 -1.46 0.14 0.00 0.82 0.00 0.00 66.70 66.73 2jla h VAL 83 Cb 0.84 1.77 -0.09 0.00 -1.52 0.00 0.00 31.29 32.29 2jla h VAL 83 CO -0.31 0.45 0.60 0.00 0.02 0.00 0.00 177.57 178.33 2jla h ALA 84 N 0.64 1.51 0.00 1.67 0.00 -1.46 -1.83 119.26 119.78 2jla h ALA 84 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jla h ALA 84 Cb 0.84 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2jla h ALA 84 CO 0.06 0.12 0.00 -0.91 0.00 0.00 0.00 179.25 178.52 2jla h ASN 85 N 0.89 0.00 0.84 0.00 2.35 -1.26 -1.49 115.58 116.90 2jla h ASN 85 Ca 0.51 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.26 2jla h ASN 85 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 2jla h ASN 85 CO -0.30 0.00 -0.02 0.18 -1.65 0.00 0.00 177.43 175.64 2jla n LEU 86 N -2.46 0.03 -0.12 1.61 4.77 -0.69 -3.66 117.00 116.49 2jla n LEU 86 Ca -0.01 0.41 -0.07 0.00 -0.03 0.00 0.00 56.01 56.31 2jla n LEU 86 Cb 0.07 -0.42 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 2jla n LEU 86 CO 0.13 0.01 0.99 0.22 -1.33 0.00 0.00 177.39 177.41 2jla h TYR 87 N 0.02 0.35 -0.64 -1.77 5.03 -1.42 -2.36 116.97 116.17 2jla h TYR 87 Ca 0.00 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.30 2jla h TYR 87 Cb 0.44 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.58 2jla h TYR 87 CO 0.00 0.19 0.32 -1.35 -1.32 0.00 0.00 178.16 175.99 2jla h PRO 88 N 0.39 0.92 -0.67 1.82 0.11 -1.82 -0.82 132.00 131.93 2jla h PRO 88 Ca 0.16 -0.13 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 2jla h PRO 88 Cb 0.07 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 30.98 2jla h PRO 88 CO -0.11 0.73 0.30 0.00 -0.21 0.00 0.00 178.00 178.71 2jla h ALA 89 N 1.14 0.87 -0.79 -0.75 0.00 -1.83 -2.16 119.26 115.74 2jla h ALA 89 Ca 0.22 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2jla h ALA 89 Cb 0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2jla h ALA 89 CO -0.03 0.45 0.51 1.25 0.00 0.00 0.00 179.25 181.44 2jla h LEU 90 N 0.94 0.87 -0.66 0.00 5.85 -1.04 0.51 115.31 121.78 2jla h LEU 90 Ca 0.23 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.81 2jla h LEU 90 Cb 0.15 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2jla h LEU 90 CO -0.02 0.62 -0.24 0.40 -0.34 0.00 0.00 178.44 178.85 2jla h ILE 91 N 1.03 1.27 -0.25 4.05 2.04 -0.98 0.45 117.51 125.12 2jla h ILE 91 Ca 0.30 -1.36 -0.16 0.00 1.00 0.00 0.00 64.86 64.64 2jla h ILE 91 Cb -0.06 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2jla h ILE 91 CO -0.08 0.46 -0.48 -0.08 0.00 0.00 0.00 178.15 177.96 2jla h GLU 92 N 0.68 0.67 -0.38 2.37 4.57 -1.04 -2.97 114.58 118.48 2jla h GLU 92 Ca 0.09 -0.38 -0.12 0.00 -1.18 0.00 0.00 59.36 57.77 2jla h GLU 92 Cb 0.76 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 2jla h GLU 92 CO 0.06 1.00 -0.25 0.00 -1.18 0.00 0.00 179.01 178.64 2jla h ALA 93 N 0.94 0.84 0.00 2.92 0.00 -0.68 -0.90 119.26 122.38 2jla h ALA 93 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2jla h ALA 93 Cb 1.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2jla h ALA 93 CO 0.10 0.64 0.00 0.78 0.00 0.00 0.00 179.25 180.77 2jla h GLY 94 N 0.95 0.00 0.00 0.00 0.00 -0.85 0.13 103.07 103.30 2jla h GLY 94 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 47.02 2jla h GLY 94 CO 0.06 0.00 -2.47 1.04 0.00 0.00 0.00 176.54 175.17 2jla n LEU 95 N -2.80 2.87 -0.00 3.11 4.77 -0.95 -4.71 117.00 119.28 2jla n LEU 95 Ca -0.01 -0.09 0.09 0.00 -0.03 0.00 0.00 56.01 55.97 2jla n LEU 95 Cb 0.13 -0.89 -0.12 0.00 -2.33 0.00 0.00 43.42 40.21 2jla n LEU 95 CO 0.19 0.90 -0.22 0.35 -1.33 0.00 0.00 177.39 177.28 2jla n THR 96 N -3.36 0.00 0.00 -5.08 -2.24 -0.39 -5.01 114.28 98.21 2jla n THR 96 Ca -0.46 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2jla n THR 96 Cb 0.97 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 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 1.43 0.74 3.57 3.38 0.00 0.46 -4.99 105.19 109.78 2jla n GLY 97 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2jla n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jla n GLU 98 N -1.01 1.06 -3.40 1.61 4.71 -1.20 -2.13 120.64 120.27 2jla n GLU 98 Ca 0.00 0.39 -0.44 0.00 -0.01 0.00 0.00 57.16 57.09 2jla n GLU 98 Cb 0.00 -1.91 -0.06 0.00 -1.01 0.00 0.00 31.44 28.46 2jla n GLU 98 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2jla s LYS 99 N -2.00 2.86 -0.29 3.49 1.02 -1.26 -1.98 119.74 121.59 2jla s LYS 99 Ca 0.65 -1.82 -0.08 0.00 0.02 0.00 0.00 55.97 54.74 2jla s LYS 99 Cb -0.55 -4.17 -0.00 0.00 -0.52 0.00 0.00 37.83 32.59 2jla s LYS 99 CO 0.56 -1.28 0.10 -0.51 -0.92 0.00 0.00 175.35 173.30 2jla s LEU 100 N 1.35 3.87 -0.47 3.17 1.43 -1.26 -1.16 118.68 125.61 2jla s LEU 100 Ca 0.06 -0.59 -0.19 0.00 -1.03 0.00 0.00 54.13 52.38 2jla s LEU 100 Cb -0.27 -1.92 0.04 0.00 0.03 0.00 0.00 46.19 44.08 2jla s LEU 100 CO 0.00 -0.17 0.56 -0.63 0.23 0.00 0.00 176.35 176.34 2jla s ILE 101 N 1.55 4.96 -0.50 -0.59 -1.09 0.07 -1.32 121.20 124.28 2jla s ILE 101 Ca 0.04 -0.42 -0.17 0.00 -2.23 0.00 0.00 60.65 57.87 2jla s ILE 101 Cb -0.17 -4.20 0.07 0.00 -1.58 0.00 0.00 42.46 36.58 2jla s ILE 101 CO 0.04 -0.65 0.53 -0.76 -1.23 0.00 0.00 174.94 172.86 2jla s LEU 102 N 2.44 5.31 -0.55 2.97 1.43 0.68 -0.87 118.68 130.08 2jla s LEU 102 Ca 0.14 -1.14 -0.19 0.00 -1.03 0.00 0.00 54.13 51.91 2jla s LEU 102 Cb -0.18 -2.32 0.08 0.00 0.03 0.00 0.00 46.19 43.79 2jla s LEU 102 CO 0.13 -0.80 0.68 -0.76 0.23 0.00 0.00 176.35 175.83 2jla s LEU 103 N 2.18 5.09 -0.26 1.79 1.43 0.34 -0.49 118.68 128.76 2jla s LEU 103 Ca 0.10 -1.11 -0.01 0.00 -1.03 0.00 0.00 54.13 52.08 2jla s LEU 103 Cb -0.22 -2.40 0.04 0.00 0.03 0.00 0.00 46.19 43.64 2jla s LEU 103 CO 0.09 -1.01 -0.06 0.42 0.23 0.00 0.00 176.35 176.02 2jla s THR 104 N 2.75 2.73 0.54 5.49 -4.23 -0.70 -1.79 115.64 120.43 2jla s THR 104 Ca 0.14 -1.23 -0.20 0.00 -1.18 0.00 0.00 61.69 59.22 2jla s THR 104 Cb -0.21 -2.47 -0.06 0.00 1.34 0.00 0.00 72.50 71.11 2jla s THR 104 CO 0.10 0.09 1.16 0.00 -0.54 0.00 0.00 174.62 175.43 2jla s ALA 105 N 1.26 2.72 0.14 3.99 0.00 -0.44 -0.38 121.76 129.06 2jla s ALA 105 Ca -0.03 0.91 0.02 0.00 0.00 0.00 0.00 51.96 52.86 2jla s ALA 105 Cb -0.18 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 2jla s ALA 105 CO -0.04 -0.86 -0.02 0.34 0.00 0.00 0.00 175.76 175.18 2jla s ASP 106 N -1.62 1.14 0.69 0.00 -1.08 -0.00 -2.61 116.67 113.18 2jla s ASP 106 Ca 0.72 -1.11 -0.11 0.00 -0.52 0.00 0.00 52.55 51.53 2jla s ASP 106 Cb -0.27 0.12 0.00 0.00 -1.46 0.00 0.00 42.92 41.31 2jla s ASP 106 CO 0.30 -0.54 1.06 -0.13 0.52 0.00 0.00 175.17 176.39 2jla s ARG 107 N -3.89 2.98 0.77 4.34 1.81 -1.26 -2.37 118.95 121.32 2jla s ARG 107 Ca 0.19 0.97 -0.11 0.00 -1.72 0.00 0.00 55.73 55.06 2jla s ARG 107 Cb 0.06 -1.99 0.05 0.00 -0.45 0.00 0.00 34.95 32.61 2jla s ARG 107 CO 0.01 -1.07 1.09 -1.25 -0.68 0.00 0.00 175.30 173.39 2jla s PRO 108 N -4.97 2.35 0.36 3.54 0.04 -1.24 -4.49 135.00 130.59 2jla s PRO 108 Ca 0.58 0.72 0.16 0.00 0.04 0.00 0.00 61.00 62.50 2jla s PRO 108 Cb -0.14 -1.94 1.07 0.00 0.04 0.00 0.00 34.50 33.52 2jla s PRO 108 CO 0.54 -1.45 1.70 -1.00 0.04 0.00 0.00 177.00 176.82 2jla h PRO 109 N -0.97 0.38 0.00 0.56 0.13 -1.96 -1.14 132.00 129.00 2jla h PRO 109 Ca -0.46 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2jla h PRO 109 Cb 1.25 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2jla h PRO 109 CO 0.59 0.25 -0.07 0.93 -0.23 0.00 0.00 178.00 179.47 2jla h GLU 110 N 0.39 0.00 -0.58 0.86 3.07 -2.03 -2.66 114.58 113.63 2jla h GLU 110 Ca 0.69 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.55 2jla h GLU 110 Cb 1.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.51 2jla h GLU 110 CO -0.48 0.07 0.00 1.28 -1.40 0.00 0.00 179.01 178.48 2jla n LEU 111 N -3.78 3.19 -4.86 1.33 4.77 -0.43 -4.91 117.00 112.30 2jla n LEU 111 Ca -0.02 -1.58 -0.35 0.00 -0.03 0.00 0.00 56.01 54.03 2jla n LEU 111 Cb 0.16 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 2jla n LEU 111 CO 0.29 0.79 0.10 -0.63 -1.33 0.00 0.00 177.39 176.61 2jla s ILE 112 N -1.23 5.06 -1.29 -0.08 -1.09 -1.01 -4.40 121.20 117.17 2jla s ILE 112 Ca 0.40 0.53 -0.03 0.00 -2.23 0.00 0.00 60.65 59.32 2jla s ILE 112 Cb 0.21 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.44 2jla s ILE 112 CO 0.28 0.31 0.95 0.47 -1.23 0.00 0.00 174.94 175.72 2jla n ASP 113 N 0.99 -2.79 -0.81 3.58 8.00 -1.26 -4.88 116.55 119.38 2jla n ASP 113 Ca -0.08 -0.67 -0.03 0.00 0.71 0.00 0.00 54.79 54.71 2jla n ASP 113 Cb 0.52 -4.71 -0.03 0.00 -0.02 0.00 0.00 41.12 36.88 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 0.03 0.60 3.75 0.00 0.00 -1.26 -5.01 105.19 103.30 2jla n GLY 115 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.53 3.71 0.24 4.61 0.00 -1.26 -4.93 121.76 121.60 2jla s ALA 116 Ca 0.00 1.55 -0.30 0.00 0.00 0.00 0.00 51.96 53.21 2jla s ALA 116 Cb 0.00 -3.63 -0.10 0.00 0.00 0.00 0.00 23.12 19.39 2jla s ALA 116 CO 0.00 -0.97 1.41 1.21 0.00 0.00 0.00 175.76 177.41 2jla s ASN 117 N 0.39 6.71 -1.47 0.00 2.47 -1.26 -3.24 114.94 118.53 2jla s ASN 117 Ca 0.61 2.61 -0.08 0.00 0.42 0.00 0.00 52.86 56.43 2jla s ASN 117 Cb -0.47 -2.62 0.02 0.00 -1.45 0.00 0.00 41.25 36.73 2jla s ASN 117 CO 0.50 -0.66 0.84 1.67 -3.72 0.00 0.00 177.10 175.73 2jla n GLN 118 N 2.34 -5.86 -5.00 0.43 7.27 -1.26 -4.98 117.38 110.32 2jla n GLN 118 Ca 0.06 0.80 -0.32 0.00 0.07 0.00 0.00 57.00 57.61 2jla n GLN 118 Cb 0.41 -5.72 -0.16 0.00 2.41 0.00 0.00 30.24 27.17 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 -3.22 2.29 0.10 1.69 0.00 -1.20 -4.28 121.76 117.14 2jla s ALA 119 Ca 0.45 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 2jla s ALA 119 Cb -0.21 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 2jla s ALA 119 CO 0.56 0.21 0.05 0.96 0.00 0.00 0.00 175.76 177.54 2jla s ILE 120 N 0.46 0.15 -0.38 0.00 -4.36 -1.26 -4.80 121.20 111.01 2jla s ILE 120 Ca -0.15 -1.78 -0.29 0.00 -0.26 0.00 0.00 60.65 58.18 2jla s ILE 120 Cb -0.17 -1.79 0.01 0.00 1.25 0.00 0.00 42.46 41.76 2jla s ILE 120 CO 0.06 -0.66 1.36 -0.13 0.24 0.00 0.00 174.94 175.81 2jla s ARG 121 N -3.98 3.70 -0.18 0.37 0.52 -1.26 -4.87 118.95 113.26 2jla s ARG 121 Ca 0.16 1.02 0.05 0.00 -0.52 0.00 0.00 55.73 56.44 2jla s ARG 121 Cb 0.07 -3.97 -0.14 0.00 0.52 0.00 0.00 34.95 31.44 2jla s ARG 121 CO -0.04 -1.40 -0.10 1.04 0.02 0.00 0.00 175.30 174.82 2jla n GLN 122 N 7.79 0.80 -1.84 3.54 6.02 -1.26 -4.96 117.38 127.48 2jla n GLN 122 Ca 0.16 0.08 -0.42 0.00 -0.01 0.00 0.00 57.00 56.80 2jla n GLN 122 Cb 0.48 -1.38 -0.03 0.00 1.02 0.00 0.00 30.24 30.33 2jla n GLN 122 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2jla s PRO 123 N -2.37 4.17 -0.08 -1.09 0.02 -1.26 -4.68 135.00 129.71 2jla s PRO 123 Ca -0.20 2.48 -0.02 0.00 0.02 0.00 0.00 61.00 63.28 2jla s PRO 123 Cb 0.06 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.47 2jla s PRO 123 CO 0.48 -0.66 0.10 0.41 -0.33 0.00 0.00 177.00 176.99 2jla n GLY 124 N 3.67 -0.71 0.00 0.52 0.00 -1.26 -5.03 105.19 102.38 2jla n GLY 124 Ca 0.14 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.61 0.00 0.00 1.61 0.99 -1.26 -4.87 117.46 113.32 2jla n PHE 126 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 2jla n PHE 126 Cb 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.64 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 1.66 4.37 0.00 -1.26 -1.12 120.51 124.16 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 0.56 0.00 0.00 0.00 0.00 19.45 20.01 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 1.24 0.81 0.08 0.00 3.41 -1.26 -4.25 113.62 113.66 2jla n SER 128 Ca 0.00 -1.46 -0.04 0.00 -0.26 0.00 0.00 58.87 57.12 2jla n SER 128 Cb 0.00 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 63.85 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 1.15 0.00 -4.16 7.33 -0.00 -1.53 -3.43 115.15 114.50 2jla h HIS 129 Ca 0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 60.37 59.88 2jla h HIS 129 Cb 0.25 0.00 0.07 0.00 -0.00 0.00 0.00 27.41 27.72 2jla h HIS 129 CO 0.03 0.81 0.39 -2.14 -0.00 0.00 0.00 177.93 177.02 2jla s PRO 130 N -2.80 3.31 -0.03 2.45 0.02 -1.26 -4.58 135.00 132.11 2jla s PRO 130 Ca 0.02 1.33 -0.19 0.00 0.02 0.00 0.00 61.00 62.18 2jla s PRO 130 Cb 0.09 -2.02 -0.12 0.00 0.02 0.00 0.00 34.50 32.47 2jla s PRO 130 CO 0.79 -0.83 0.79 1.15 -0.33 0.00 0.00 177.00 178.57 2jla h THR 131 N 0.67 0.34 -4.00 0.99 2.02 -0.85 -3.45 112.91 108.63 2jla h THR 131 Ca -0.48 -0.75 -0.69 0.00 0.77 0.00 0.00 66.41 65.26 2jla h THR 131 Cb 1.23 0.56 -0.22 0.00 -1.74 0.00 0.00 68.15 67.97 2jla h THR 131 CO 0.57 0.08 -0.79 -1.00 0.37 0.00 0.00 175.52 174.76 2jla s HIS 132 N -3.57 2.64 -0.21 3.16 3.76 -1.17 -5.05 115.29 114.85 2jla s HIS 132 Ca -0.10 -0.21 0.01 0.00 -0.15 0.00 0.00 55.06 54.61 2jla s HIS 132 Cb 0.01 -1.55 0.03 0.00 1.11 0.00 0.00 32.58 32.18 2jla s HIS 132 CO 0.36 0.22 -0.15 -1.12 -0.85 0.00 0.00 174.74 173.20 2jla s SER 133 N -1.11 3.66 -0.25 1.40 0.01 -1.26 -1.13 113.70 115.02 2jla s SER 133 Ca 0.13 -0.85 -0.10 0.00 1.31 0.00 0.00 55.95 56.45 2jla s SER 133 Cb -0.11 -1.53 -0.04 0.00 0.21 0.00 0.00 66.02 64.55 2jla s SER 133 CO 0.03 -0.06 0.14 -0.63 0.41 0.00 0.00 173.24 173.13 2jla s ILE 134 N 1.26 5.08 -0.60 1.44 1.01 0.21 -4.96 121.20 124.63 2jla s ILE 134 Ca 0.01 0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.65 2jla s ILE 134 Cb -0.15 -3.38 0.15 0.00 0.01 0.00 0.00 42.46 39.10 2jla s ILE 134 CO -0.09 0.33 0.49 -0.55 0.00 0.00 0.00 174.94 175.12 2jla s SER 135 N 1.29 5.93 0.42 3.58 0.15 -1.26 -1.85 113.70 121.96 2jla s SER 135 Ca 0.07 -2.30 -0.26 0.00 0.70 0.00 0.00 55.95 54.16 2jla s SER 135 Cb -0.14 -2.05 -0.09 0.00 -1.71 0.00 0.00 66.02 62.02 2jla s SER 135 CO 0.06 -0.61 1.38 -0.76 1.20 0.00 0.00 173.24 174.50 2jla s LEU 136 N 0.78 4.20 0.86 3.45 1.43 -0.99 -4.99 118.68 123.43 2jla s LEU 136 Ca 0.11 2.82 -0.12 0.00 -1.03 0.00 0.00 54.13 55.91 2jla s LEU 136 Cb -0.21 -3.87 0.11 0.00 0.03 0.00 0.00 46.19 42.25 2jla s LEU 136 CO -0.03 -0.97 1.12 -2.16 0.23 0.00 0.00 176.35 174.54 2jla s PRO 137 N -2.28 1.55 -0.01 1.29 0.04 -1.26 -4.55 135.00 129.78 2jla s PRO 137 Ca 0.57 0.47 -0.34 0.00 0.04 0.00 0.00 61.00 61.74 2jla s PRO 137 Cb -0.42 -1.87 -0.13 0.00 0.04 0.00 0.00 34.50 32.13 2jla s PRO 137 CO 0.54 -1.96 1.76 -2.13 0.04 0.00 0.00 177.00 175.26 2jla n ARG 138 N -3.63 2.10 -1.79 4.56 0.63 -1.26 -4.66 116.66 112.60 2jla n ARG 138 Ca 0.07 0.76 -0.42 0.00 -0.92 0.00 0.00 57.85 57.34 2jla n ARG 138 Cb 0.58 -2.57 -0.02 0.00 0.45 0.00 0.00 32.46 30.89 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 2.92 4.14 -0.08 -0.14 0.02 -1.26 -5.00 135.00 135.60 2jla s PRO 139 Ca 0.88 2.55 -0.14 0.00 0.02 0.00 0.00 61.00 64.31 2jla s PRO 139 Cb -0.71 -3.07 0.03 0.00 0.02 0.00 0.00 34.50 30.77 2jla s PRO 139 CO 0.48 -0.67 0.35 -0.08 -0.33 0.00 0.00 177.00 176.74 2jla s THR 140 N 0.66 0.03 -0.82 0.99 -1.32 -1.26 -5.02 115.64 108.89 2jla s THR 140 Ca 0.69 -0.21 0.18 0.00 -1.21 0.00 0.00 61.69 61.14 2jla s THR 140 Cb -0.48 -0.57 0.17 0.00 -1.51 0.00 0.00 72.50 70.11 2jla s THR 140 CO 0.39 -0.12 1.56 0.00 -2.21 0.00 0.00 174.62 174.24 2jla n GLN 141 N 2.12 0.07 0.00 7.08 6.02 -1.26 -2.95 117.38 128.46 2jla n GLN 141 Ca -0.17 0.31 0.15 0.00 -0.01 0.00 0.00 57.00 57.28 2jla n GLN 141 Cb 0.57 -1.63 0.78 0.00 1.02 0.00 0.00 30.24 30.98 2jla n GLN 141 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2jla n ASP 142 N -1.76 0.00 -4.37 1.08 9.92 -1.26 -4.41 116.55 115.75 2jla n ASP 142 Ca 0.03 -0.30 -0.35 0.00 -0.53 0.00 0.00 54.79 53.64 2jla n ASP 142 Cb 0.19 -0.23 -0.13 0.00 -0.64 0.00 0.00 41.12 40.31 2jla n ASP 142 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2jla s ILE 143 N -2.46 3.59 0.59 0.53 1.01 -1.15 -5.11 121.20 118.19 2jla s ILE 143 Ca 0.32 -0.43 -0.17 0.00 0.00 0.00 0.00 60.65 60.37 2jla s ILE 143 Cb 0.20 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 2jla s ILE 143 CO 0.44 0.43 1.10 -2.16 0.00 0.00 0.00 174.94 174.75 2jla s PRO 144 N 1.22 3.17 0.43 2.79 0.04 -1.26 -4.86 135.00 136.52 2jla s PRO 144 Ca 0.03 1.43 0.15 0.00 0.04 0.00 0.00 61.00 62.65 2jla s PRO 144 Cb -0.14 -2.00 1.05 0.00 0.04 0.00 0.00 34.50 33.45 2jla s PRO 144 CO -0.00 -0.96 1.93 0.00 0.04 0.00 0.00 177.00 178.01 2jla h ALA 145 N 0.64 2.10 0.00 8.56 0.00 -1.92 -1.49 119.26 127.14 2jla h ALA 145 Ca -0.48 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2jla h ALA 145 Cb 1.24 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2jla h ALA 145 CO 0.56 -0.29 -0.11 0.07 0.00 0.00 0.00 179.25 179.48 2jla h ARG 146 N 0.41 0.00 -0.06 0.00 0.11 -1.92 0.10 114.38 113.03 2jla h ARG 146 Ca 0.35 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.41 2jla h ARG 146 Cb 0.80 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.88 2jla h ARG 146 CO -0.11 0.11 -0.06 2.35 0.10 0.00 0.00 179.97 182.36 2jla h TRP 147 N 0.00 0.16 0.15 4.08 7.01 -1.64 -1.54 115.95 124.18 2jla h TRP 147 Ca -0.00 -0.05 0.01 0.00 2.11 0.00 0.00 58.89 60.96 2jla h TRP 147 Cb 0.24 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.22 2jla h TRP 147 CO 0.00 0.59 -0.47 1.25 -2.79 0.00 0.00 178.44 177.02 2jla h LEU 148 N -0.31 -1.40 -0.94 0.65 5.85 -1.10 -0.11 115.31 117.95 2jla h LEU 148 Ca 0.01 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.92 2jla h LEU 148 Cb 0.56 0.51 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 2jla h LEU 148 CO 0.01 -0.51 0.60 1.62 -0.34 0.00 0.00 178.44 179.83 2jla h VAL 149 N -0.70 1.11 -0.52 1.05 3.04 -1.15 -2.66 116.25 116.42 2jla h VAL 149 Ca -0.01 -0.39 0.02 0.00 -1.01 0.00 0.00 66.70 65.31 2jla h VAL 149 Cb 0.69 -0.12 -0.03 0.00 -2.01 0.00 0.00 31.29 29.81 2jla h VAL 149 CO -0.23 0.21 0.32 0.28 -1.01 0.00 0.00 177.57 177.13 2jla h SER 150 N 1.13 0.53 -0.42 3.17 0.02 -0.93 0.13 113.55 117.18 2jla h SER 150 Ca 0.39 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.36 2jla h SER 150 Cb 0.10 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2jla h SER 150 CO -0.15 0.38 0.24 0.74 -1.14 0.00 0.00 176.83 176.89 2jla h THR 151 N 0.64 1.03 -0.12 -2.27 2.02 -0.69 0.11 112.91 113.64 2jla h THR 151 Ca 0.20 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 2jla h THR 151 Cb -0.01 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2jla h THR 151 CO -0.08 0.09 0.06 0.40 0.37 0.00 0.00 175.52 176.36 2jla h ILE 152 N 0.48 1.11 -0.68 3.11 2.04 -1.30 -1.84 117.51 120.43 2jla h ILE 152 Ca 0.17 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.76 2jla h ILE 152 Cb 0.02 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 2jla h ILE 152 CO -0.08 0.10 0.45 0.44 0.00 0.00 0.00 178.15 179.06 2jla h ASP 153 N 0.07 0.67 -0.26 1.72 3.45 -0.39 0.78 116.42 122.45 2jla h ASP 153 Ca 0.04 -0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.38 2jla h ASP 153 Cb 0.11 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 38.73 2jla h ASP 153 CO -0.01 0.45 -0.29 -0.74 -1.57 0.00 0.00 179.24 177.09 2jla h HIS 154 N 0.77 0.80 -0.18 4.55 2.76 -0.74 0.22 115.15 123.33 2jla h HIS 154 Ca 0.28 -0.24 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 2jla h HIS 154 Cb 0.15 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 2jla h HIS 154 CO -0.00 0.98 0.05 0.00 -1.30 0.00 0.00 177.93 177.66 2jla h ALA 155 N 0.68 0.24 -0.06 5.26 0.00 -0.45 -2.01 119.26 122.92 2jla h ALA 155 Ca 0.04 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 2jla h ALA 155 Cb 0.85 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.59 2jla h ALA 155 CO 0.07 -0.13 -0.80 -0.07 0.00 0.00 0.00 179.25 178.32 2jla h LEU 156 N 0.11 0.81 -0.75 0.00 4.07 -0.94 -3.15 115.31 115.46 2jla h LEU 156 Ca 0.06 -0.70 0.13 0.00 0.08 0.00 0.00 57.88 57.45 2jla h LEU 156 Cb 0.25 -0.24 -0.09 0.00 1.08 0.00 0.00 40.66 41.65 2jla h LEU 156 CO -0.00 1.39 0.32 1.23 -1.08 0.00 0.00 178.44 180.29 2jla h GLY 157 N 0.30 1.13 -2.68 0.83 0.00 -0.55 -2.58 103.07 99.53 2jla h GLY 157 Ca -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2jla h GLY 157 CO 0.16 -0.06 0.00 -1.30 0.00 0.00 0.00 176.54 175.34 2jla n THR 158 N -4.97 2.03 -2.64 4.70 -2.24 -0.76 -4.18 114.28 106.22 2jla n THR 158 Ca 0.14 -1.36 -0.42 0.00 -2.27 0.00 0.00 64.05 60.14 2jla n THR 158 Cb 0.39 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 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 -2.13 3.53 -0.01 3.22 2.96 -0.97 -4.89 118.68 120.39 2jla s LEU 159 Ca 0.47 -0.55 -0.23 0.00 -0.22 0.00 0.00 54.13 53.60 2jla s LEU 159 Cb 0.33 -2.57 -0.13 0.00 0.50 0.00 0.00 46.19 44.32 2jla s LEU 159 CO 0.19 -1.69 0.97 -0.74 -1.32 0.00 0.00 176.35 173.75 2jla h HIS 160 N 9.85 -0.66 -3.90 5.38 -0.00 -1.90 -3.48 115.15 120.45 2jla h HIS 160 Ca -0.28 -0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 59.97 2jla h HIS 160 Cb 1.06 0.22 -0.11 0.00 -0.00 0.00 0.00 27.41 28.57 2jla h HIS 160 CO 1.07 -0.36 -0.27 0.00 -0.00 0.00 0.00 177.93 178.37 2jla s ALA 161 N -4.56 0.11 0.00 5.26 0.00 -1.26 -5.06 121.76 116.25 2jla s ALA 161 Ca -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.79 2jla s ALA 161 Cb 0.01 1.09 0.00 0.00 0.00 0.00 0.00 23.12 24.22 2jla s ALA 161 CO 0.39 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2jla n GLY 162 N -0.32 -2.83 3.92 0.00 0.00 -0.84 -4.78 105.19 100.35 2jla n GLY 162 Ca -0.02 -1.71 -0.26 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.32 1.53 -0.11 -0.02 0.00 -1.24 -3.99 107.32 102.18 2jla s GLY 163 Ca 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 44.03 2jla s GLY 163 CO 0.00 -0.51 -0.14 0.14 0.00 0.00 0.00 173.10 172.59 2jla s VAL 164 N -2.75 1.43 -0.40 1.40 1.01 -0.44 -0.17 120.40 120.48 2jla s VAL 164 Ca 0.49 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 2jla s VAL 164 Cb -0.10 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.98 2jla s VAL 164 CO 0.43 0.43 0.33 -2.28 0.00 0.00 0.00 175.10 174.01 2jla s HIS 165 N 1.02 3.22 -0.32 5.22 2.46 -0.28 -0.23 115.29 126.38 2jla s HIS 165 Ca -0.06 -0.44 -0.05 0.00 0.47 0.00 0.00 55.06 54.99 2jla s HIS 165 Cb -0.15 -2.66 0.04 0.00 -0.13 0.00 0.00 32.58 29.69 2jla s HIS 165 CO -0.02 -0.57 0.06 0.42 -2.47 0.00 0.00 174.74 172.16 2jla s ILE 166 N 1.83 3.47 -0.15 0.89 1.01 0.36 0.63 121.20 129.25 2jla s ILE 166 Ca 0.07 -1.23 -0.22 0.00 0.00 0.00 0.00 60.65 59.28 2jla s ILE 166 Cb -0.18 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 2jla s ILE 166 CO 0.11 -0.15 0.67 0.21 0.00 0.00 0.00 174.94 175.78 2jla s ASN 167 N 1.35 6.82 -0.47 3.58 2.47 -0.77 -1.71 114.94 126.20 2jla s ASN 167 Ca -0.03 0.99 0.02 0.00 0.42 0.00 0.00 52.86 54.26 2jla s ASN 167 Cb -0.20 -2.38 0.12 0.00 -1.45 0.00 0.00 41.25 37.35 2jla s ASN 167 CO 0.01 -0.22 0.22 0.00 -3.72 0.00 0.00 177.10 173.39 2jla s PRO 169 N 0.34 4.21 -0.06 0.00 0.02 -1.26 -0.82 135.00 137.42 2jla s PRO 169 Ca 0.14 2.41 -0.01 0.00 0.02 0.00 0.00 61.00 63.56 2jla s PRO 169 Cb -0.22 -3.07 0.03 0.00 0.02 0.00 0.00 34.50 31.25 2jla s PRO 169 CO -0.04 -0.50 -0.01 -0.06 -0.33 0.00 0.00 177.00 176.07 2jla s PHE 170 N -0.04 0.68 0.45 6.54 0.40 -1.00 -4.47 117.98 120.54 2jla s PHE 170 Ca 0.60 -0.18 -0.21 0.00 -0.60 0.00 0.00 56.93 56.55 2jla s PHE 170 Cb -0.44 -0.76 -0.10 0.00 0.51 0.00 0.00 43.02 42.23 2jla s PHE 170 CO 0.45 -0.29 1.00 0.00 0.70 0.00 0.00 175.22 177.08 2jla s ALA 171 N 1.70 2.96 -0.21 5.36 0.00 -1.26 -3.61 121.76 126.70 2jla s ALA 171 Ca 0.01 0.53 -0.08 0.00 0.00 0.00 0.00 51.96 52.42 2jla s ALA 171 Cb -0.13 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2jla s ALA 171 CO -0.04 -0.12 0.08 -1.83 0.00 0.00 0.00 175.76 173.85 2jla s GLU 172 N -3.14 3.92 -0.19 0.00 -1.05 -1.26 -4.69 118.70 112.30 2jla s GLU 172 Ca 0.64 -0.36 0.01 0.00 -0.15 0.00 0.00 54.97 55.12 2jla s GLU 172 Cb -0.14 -3.30 0.03 0.00 -0.44 0.00 0.00 34.13 30.28 2jla s GLU 172 CO 0.18 0.14 -0.17 -2.14 0.95 0.00 0.00 175.26 174.21 2jla s PRO 173 N 0.76 2.73 0.00 -4.83 0.02 -1.26 -5.02 135.00 127.39 2jla s PRO 173 Ca 0.04 -0.90 0.26 0.00 0.02 0.00 0.00 61.00 60.42 2jla s PRO 173 Cb -0.13 -2.57 0.62 0.00 0.02 0.00 0.00 34.50 32.43 2jla s PRO 173 CO 0.02 -0.29 1.49 1.28 -0.33 0.00 0.00 177.00 179.17 2jla n LEU 174 N 4.60 0.48 -4.45 -5.54 4.77 -1.26 -2.81 117.00 112.80 2jla n LEU 174 Ca -0.19 0.04 -0.21 0.00 -0.03 0.00 0.00 56.01 55.61 2jla n LEU 174 Cb 0.48 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 2jla n LEU 174 CO 0.24 0.11 -0.26 -0.31 -1.33 0.00 0.00 177.39 175.85 2jla s TYR 175 N -2.96 1.92 0.00 -1.77 1.51 -1.26 -4.77 117.35 110.02 2jla s TYR 175 Ca 0.13 -1.00 0.00 0.00 -1.01 0.00 0.00 57.07 55.18 2jla s TYR 175 Cb 0.18 -1.25 0.00 0.00 -0.11 0.00 0.00 41.96 40.78 2jla s TYR 175 CO 0.67 -0.04 0.00 0.41 -1.11 0.00 0.00 175.55 175.47 2jla n GLY 176 N -0.69 -0.32 0.00 0.71 0.00 -1.26 -4.80 105.19 98.83 2jla n GLY 176 Ca -0.02 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.33 2.83 -3.97 1.61 2.13 -1.26 -4.92 120.64 116.73 2jla n GLU 177 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2jla n GLU 177 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2jla n GLU 177 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2jla n ASP 179 N 0.00 0.00 -2.71 4.31 5.68 -1.26 -4.62 116.55 117.95 2jla n ASP 179 Ca 0.00 0.00 -0.38 0.00 -0.50 0.00 0.00 54.79 53.91 2jla n ASP 179 Cb 0.00 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.03 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 2.92 7.48 -4.72 -1.12 3.85 -1.26 -4.94 116.55 118.76 2jla n ASP 180 Ca 0.00 -3.82 -0.42 0.00 -0.71 0.00 0.00 54.79 49.84 2jla n ASP 180 Cb 0.00 -1.02 -0.03 0.00 -1.35 0.00 0.00 41.12 38.73 2jla n ASP 180 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2jla s THR 181 N -5.01 2.87 0.00 2.12 2.01 -1.26 -3.17 115.64 113.20 2jla s THR 181 Ca 0.56 0.63 0.00 0.00 0.31 0.00 0.00 61.69 63.19 2jla s THR 181 Cb 0.46 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 69.56 2jla s THR 181 CO -0.28 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.32 2jla n GLY 182 N 3.53 2.01 0.33 4.40 0.00 -1.26 -4.40 105.19 109.80 2jla n GLY 182 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 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 0.93 -0.45 0.99 6.46 -1.92 0.20 115.31 121.52 2jla h LEU 183 Ca 0.00 -0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.66 2jla h LEU 183 Cb 0.00 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.71 2jla h LEU 183 CO 0.00 0.63 -0.12 -1.28 -0.62 0.00 0.00 178.44 177.05 2jla h SER 184 N 1.08 0.88 -0.57 1.25 0.87 -1.90 -2.24 113.55 112.93 2jla h SER 184 Ca 0.36 -0.37 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2jla h SER 184 Cb 0.04 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 2jla h SER 184 CO -0.13 1.04 0.18 -0.25 -0.53 0.00 0.00 176.83 177.14 2jla h TRP 185 N 0.71 0.91 -0.80 2.24 7.01 -1.74 -2.87 115.95 121.41 2jla h TRP 185 Ca 0.11 -0.09 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 2jla h TRP 185 Cb 0.66 -0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 27.42 2jla h TRP 185 CO 0.05 0.76 0.40 1.96 -2.79 0.00 0.00 178.44 178.82 2jla h GLN 186 N 0.79 1.14 0.00 2.65 4.20 -0.55 -3.18 115.11 120.16 2jla h GLN 186 Ca 0.18 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 2jla h GLN 186 Cb 0.28 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 2jla h GLN 186 CO -0.01 0.86 -0.13 1.96 -0.67 0.00 0.00 178.83 180.85 2jla h GLN 187 N 1.13 0.00 0.00 1.46 4.20 -1.18 -2.62 115.11 118.10 2jla h GLN 187 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2jla h GLN 187 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2jla h GLN 187 CO -0.04 0.13 0.22 0.00 -0.67 0.00 0.00 178.83 178.47 2jla h ARG 188 N 0.00 0.00 0.00 1.46 3.08 -1.50 0.71 114.38 118.13 2jla h ARG 188 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jla h ARG 188 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2jla h ARG 188 CO 0.02 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.20 2jla n LEU 189 N -2.15 0.34 0.00 3.04 4.77 -0.99 -5.00 117.00 117.00 2jla n LEU 189 Ca -0.01 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 2jla n LEU 189 Cb 0.24 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2jla n LEU 189 CO 0.07 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 2jla n GLY 190 N 0.95 2.75 1.44 -0.72 0.00 0.25 -3.06 105.19 106.80 2jla n GLY 190 Ca 0.05 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 5.73 4.26 0.09 1.61 5.68 -1.26 -3.60 116.55 129.05 2jla n ASP 191 Ca 0.00 -2.34 0.18 0.00 -0.50 0.00 0.00 54.79 52.14 2jla n ASP 191 Cb 0.00 -0.54 0.73 0.00 -1.14 0.00 0.00 41.12 40.18 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 3.78 0.00 0.00 2.11 7.01 -1.94 -1.98 115.95 124.93 2jla h TRP 192 Ca 0.00 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.96 2jla h TRP 192 Cb 1.28 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.33 2jla h TRP 192 CO 0.67 0.00 -0.21 -1.49 -2.79 0.00 0.00 178.44 174.62 2jla h TRP 193 N 0.00 0.00 -0.43 2.65 4.06 -1.81 -2.07 115.95 118.35 2jla h TRP 193 Ca 0.18 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.13 2jla h TRP 193 Cb 0.81 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.97 2jla h TRP 193 CO 0.00 0.21 0.00 1.04 -3.56 0.00 0.00 178.44 176.13 2jla n GLN 194 N -3.82 2.52 -3.15 0.49 3.00 -0.77 -4.98 117.38 110.66 2jla n GLN 194 Ca -0.02 -2.32 -0.22 0.00 -0.01 0.00 0.00 57.00 54.43 2jla n GLN 194 Cb 0.31 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 29.04 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 -1.39 5.95 0.00 1.08 -1.08 -0.78 -5.02 116.67 115.43 2jla s ASP 195 Ca 0.39 0.24 0.11 0.00 -0.52 0.00 0.00 52.55 52.77 2jla s ASP 195 Cb 0.23 -1.59 0.18 0.00 -1.46 0.00 0.00 42.92 40.28 2jla s ASP 195 CO 0.31 -0.57 1.03 -0.90 0.52 0.00 0.00 175.17 175.56 2jla n ASP 196 N -1.94 2.37 -4.76 -0.34 5.75 -1.26 -5.02 116.55 111.34 2jla n ASP 196 Ca -0.00 -1.70 -0.23 0.00 -0.01 0.00 0.00 54.79 52.85 2jla n ASP 196 Cb 0.57 -0.10 -0.06 0.00 -1.03 0.00 0.00 41.12 40.50 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 -0.96 2.39 0.60 0.11 1.02 -1.26 -4.79 119.74 116.84 2jla s LYS 197 Ca 0.17 -1.59 -0.15 0.00 0.02 0.00 0.00 55.97 54.42 2jla s LYS 197 Cb 0.10 -2.18 -0.04 0.00 -0.52 0.00 0.00 37.83 35.20 2jla s LYS 197 CO 0.15 0.02 1.05 -2.14 -0.92 0.00 0.00 175.35 173.50 2jla s PRO 198 N -3.91 3.36 0.10 -1.68 0.02 -1.26 -4.85 135.00 126.78 2jla s PRO 198 Ca 0.40 1.12 -0.28 0.00 0.02 0.00 0.00 61.00 62.26 2jla s PRO 198 Cb -0.01 -2.04 -0.13 0.00 0.02 0.00 0.00 34.50 32.34 2jla s PRO 198 CO 0.24 -0.77 1.65 2.35 -0.33 0.00 0.00 177.00 180.14 2jla h TRP 199 N 0.33 -0.67 -3.57 6.54 2.91 -1.95 -3.39 115.95 116.16 2jla h TRP 199 Ca -0.46 0.00 -0.67 0.00 1.13 0.00 0.00 58.89 58.89 2jla h TRP 199 Cb 1.21 0.26 -0.32 0.00 -0.51 0.00 0.00 29.16 29.80 2jla h TRP 199 CO 0.60 -0.37 -0.74 -1.17 -1.03 0.00 0.00 178.44 175.73 2jla s LEU 200 N -10.21 3.33 -0.43 0.65 1.98 -1.26 -5.07 118.68 107.68 2jla s LEU 200 Ca -0.16 -0.96 -0.20 0.00 -2.89 0.00 0.00 54.13 49.93 2jla s LEU 200 Cb 0.06 -1.67 0.02 0.00 0.66 0.00 0.00 46.19 45.26 2jla s LEU 200 CO 0.64 -0.15 0.58 0.00 -1.89 0.00 0.00 176.35 175.53 2jla s ARG 201 N 1.31 3.26 -0.38 1.98 1.70 -1.26 -4.68 118.95 120.88 2jla s ARG 201 Ca -0.01 -0.45 0.01 0.00 -0.47 0.00 0.00 55.73 54.81 2jla s ARG 201 Cb -0.17 -3.94 0.12 0.00 -0.57 0.00 0.00 34.95 30.39 2jla s ARG 201 CO -0.04 -0.94 0.18 -2.00 -1.08 0.00 0.00 175.30 171.42 2jla s GLU 202 N 2.61 1.00 -0.49 3.89 2.12 -1.26 -5.04 118.70 121.54 2jla s GLU 202 Ca 0.20 -1.59 0.07 0.00 0.36 0.00 0.00 54.97 54.01 2jla s GLU 202 Cb -0.15 -2.12 0.23 0.00 0.26 0.00 0.00 34.13 32.36 2jla s GLU 202 CO 0.17 -1.10 0.55 0.00 -0.54 0.00 0.00 175.26 174.35 2jla n ALA 203 N 4.09 3.03 -1.95 6.30 0.00 -1.26 -3.17 120.51 127.54 2jla n ALA 203 Ca 0.05 -3.83 -0.41 0.00 0.00 0.00 0.00 53.44 49.25 2jla n ALA 203 Cb 0.38 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.38 4.54 0.15 0.00 0.04 -1.26 -5.04 135.00 132.05 2jla s PRO 204 Ca 0.35 1.85 -0.23 0.00 0.04 0.00 0.00 61.00 63.01 2jla s PRO 204 Cb 0.13 -3.22 -0.08 0.00 0.04 0.00 0.00 34.50 31.37 2jla s PRO 204 CO -0.10 0.02 0.71 1.03 0.04 0.00 0.00 177.00 178.70 2jla s ARG 205 N -0.69 4.42 -0.27 4.56 0.52 -1.26 -4.98 118.95 121.25 2jla s ARG 205 Ca 0.50 1.00 -0.02 0.00 -0.52 0.00 0.00 55.73 56.69 2jla s ARG 205 Cb -0.32 -3.21 0.04 0.00 0.52 0.00 0.00 34.95 31.98 2jla s ARG 205 CO 0.39 0.57 -0.03 -1.17 0.02 0.00 0.00 175.30 175.07 2jla s LEU 206 N -1.24 3.56 -0.22 2.53 2.96 -1.26 -5.09 118.68 119.91 2jla s LEU 206 Ca 0.35 -1.09 -0.20 0.00 -0.22 0.00 0.00 54.13 52.96 2jla s LEU 206 Cb -0.21 -1.68 0.06 0.00 0.50 0.00 0.00 46.19 44.85 2jla s LEU 206 CO 0.23 -0.20 0.59 -0.70 -1.32 0.00 0.00 176.35 174.95 2jla s GLU 207 N 1.28 0.68 0.43 1.98 2.12 -1.26 -4.81 118.70 119.12 2jla s GLU 207 Ca -0.03 0.82 -0.22 0.00 0.36 0.00 0.00 54.97 55.91 2jla s GLU 207 Cb -0.18 0.33 -0.10 0.00 0.26 0.00 0.00 34.13 34.43 2jla s GLU 207 CO -0.03 -0.08 0.98 -1.12 -0.54 0.00 0.00 175.26 174.47 2jla s SER 208 N 0.34 6.78 0.86 -1.70 0.01 -0.27 -4.98 113.70 114.75 2jla s SER 208 Ca -0.00 1.81 -0.12 0.00 1.31 0.00 0.00 55.95 58.95 2jla s SER 208 Cb -0.04 -2.55 0.11 0.00 0.21 0.00 0.00 66.02 63.74 2jla s SER 208 CO 0.00 -0.47 1.12 -1.61 0.41 0.00 0.00 173.24 172.70 2jla s GLU 209 N -3.02 1.55 0.19 12.44 2.02 -1.26 -4.92 118.70 125.70 2jla s GLU 209 Ca 0.62 0.43 -0.32 0.00 0.02 0.00 0.00 54.97 55.71 2jla s GLU 209 Cb -0.13 -1.87 -0.12 0.00 0.10 0.00 0.00 34.13 32.10 2jla s GLU 209 CO 0.17 -1.94 1.69 1.17 0.02 0.00 0.00 175.26 176.37 2jla n LYS 210 N -3.62 2.62 -2.26 1.61 4.81 -1.26 -4.93 118.16 115.13 2jla n LYS 210 Ca 0.07 0.94 -0.43 0.00 -0.87 0.00 0.00 58.31 58.02 2jla n LYS 210 Cb 0.58 -2.77 -0.02 0.00 0.02 0.00 0.00 35.03 32.83 2jla n LYS 210 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2jla s GLN 211 N 1.19 3.54 0.13 1.64 -1.52 -1.26 -4.88 119.66 118.51 2jla s GLN 211 Ca 0.76 1.10 0.25 0.00 -1.95 0.00 0.00 55.36 55.53 2jla s GLN 211 Cb -0.55 -4.06 0.95 0.00 -0.22 0.00 0.00 33.01 29.13 2jla s GLN 211 CO 0.34 -1.60 1.77 0.54 -0.25 0.00 0.00 175.29 176.09 2jla n ARG 212 N 8.11 0.14 -0.48 2.91 1.74 -1.26 -2.29 116.66 125.53 2jla n ARG 212 Ca 0.18 0.19 0.08 0.00 -0.77 0.00 0.00 57.85 57.53 2jla n ARG 212 Cb 0.47 -1.69 0.29 0.00 -1.02 0.00 0.00 32.46 30.52 2jla n ARG 212 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2jla n ASP 213 N -1.94 4.16 -0.32 0.55 5.75 -1.26 -4.56 116.55 118.93 2jla n ASP 213 Ca 0.05 -2.46 0.12 0.00 -0.01 0.00 0.00 54.79 52.49 2jla n ASP 213 Cb 0.34 -0.49 0.34 0.00 -1.03 0.00 0.00 41.12 40.27 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 3.14 0.96 -0.73 2.11 2.91 -1.87 0.11 115.95 122.58 2jla h TRP 214 Ca 0.00 0.03 0.19 0.00 1.13 0.00 0.00 58.89 60.24 2jla h TRP 214 Cb 1.28 -0.30 -0.04 0.00 -0.51 0.00 0.00 29.16 29.60 2jla h TRP 214 CO 0.59 0.30 0.51 0.27 -1.03 0.00 0.00 178.44 179.08 2jla h PHE 215 N 0.77 0.13 0.03 2.65 -0.00 -1.85 -0.30 116.94 118.37 2jla h PHE 215 Ca 0.51 0.00 -0.11 0.00 -0.00 0.00 0.00 57.97 58.38 2jla h PHE 215 Cb 0.77 -0.04 -0.01 0.00 -0.00 0.00 0.00 35.95 36.67 2jla h PHE 215 CO -0.00 0.04 -0.55 0.35 -0.00 0.00 0.00 178.31 178.15 2jla h PHE 216 N 0.11 0.10 -0.41 6.09 3.04 -1.16 -3.39 116.94 121.32 2jla h PHE 216 Ca 0.35 -0.08 -0.13 0.00 3.98 0.00 0.00 57.97 62.10 2jla h PHE 216 Cb 1.25 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.74 2jla h PHE 216 CO -0.00 1.21 -0.24 -1.49 -2.02 0.00 0.00 178.31 175.77 2jla h TRP 217 N -0.86 0.98 0.00 0.41 4.06 -0.89 -3.07 115.95 116.57 2jla h TRP 217 Ca -0.13 -0.24 0.00 0.00 2.06 0.00 0.00 58.89 60.58 2jla h TRP 217 Cb 1.22 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 29.15 2jla h TRP 217 CO 0.21 1.00 0.00 2.89 -3.56 0.00 0.00 178.44 178.98 2jla n ARG 218 N -4.10 0.10 0.00 0.49 1.85 -0.18 -1.21 116.66 113.61 2jla n ARG 218 Ca -0.00 0.55 0.12 0.00 -1.00 0.00 0.00 57.85 57.51 2jla n ARG 218 Cb 0.46 -1.80 0.10 0.00 -1.05 0.00 0.00 32.46 30.17 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 -2.01 1.51 -1.74 2.89 6.02 -1.16 -4.80 117.38 118.10 2jla n GLN 219 Ca -0.00 -1.20 -0.29 0.00 -0.01 0.00 0.00 57.00 55.49 2jla n GLN 219 Cb 0.06 -1.48 0.12 0.00 1.02 0.00 0.00 30.24 29.97 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 -2.32 1.38 -0.69 -1.09 -0.14 -0.35 -4.97 119.74 111.57 2jla s LYS 220 Ca 0.23 0.11 -0.27 0.00 -1.36 0.00 0.00 55.97 54.68 2jla s LYS 220 Cb 0.19 -1.88 0.01 0.00 -1.68 0.00 0.00 37.83 34.46 2jla s LYS 220 CO 0.48 -2.00 1.56 1.03 -0.76 0.00 0.00 175.35 175.66 2jla s ARG 221 N -5.50 2.92 0.35 1.68 0.52 -1.26 -4.98 118.95 112.69 2jla s ARG 221 Ca 0.64 0.14 0.08 0.00 -0.52 0.00 0.00 55.73 56.08 2jla s ARG 221 Cb -0.12 -4.30 -0.04 0.00 0.52 0.00 0.00 34.95 31.01 2jla s ARG 221 CO 0.51 -2.44 0.14 0.20 0.02 0.00 0.00 175.30 173.74 2jla s GLY 222 N 5.84 2.01 -0.01 -3.53 0.00 -1.26 0.21 107.32 110.58 2jla s GLY 222 Ca 0.51 -1.87 0.08 0.00 0.00 0.00 0.00 44.72 43.43 2jla s GLY 222 CO 0.17 -1.78 -0.24 0.14 0.00 0.00 0.00 173.10 171.38 2jla s VAL 223 N -2.45 1.91 -0.26 1.40 1.01 -0.42 -3.98 120.40 117.61 2jla s VAL 223 Ca 0.38 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 2jla s VAL 223 Cb -0.02 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2jla s VAL 223 CO 0.23 0.53 0.13 -0.69 0.00 0.00 0.00 175.10 175.29 2jla s VAL 224 N -0.58 4.86 -0.17 2.92 1.01 -0.24 -1.15 120.40 127.05 2jla s VAL 224 Ca 0.09 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 2jla s VAL 224 Cb -0.09 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2jla s VAL 224 CO -0.01 0.30 -0.02 -0.69 0.00 0.00 0.00 175.10 174.68 2jla s VAL 225 N 1.60 3.95 -0.21 2.92 1.01 -0.85 -1.06 120.40 127.77 2jla s VAL 225 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2jla s VAL 225 Cb -0.15 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.50 2jla s VAL 225 CO 0.07 0.47 -0.14 0.00 0.00 0.00 0.00 175.10 175.50 2jla s ALA 226 N 0.60 2.49 0.09 5.51 0.00 0.29 -1.37 121.76 129.37 2jla s ALA 226 Ca -0.02 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.57 2jla s ALA 226 Cb -0.14 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.57 2jla s ALA 226 CO 0.02 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.57 2jla n GLY 227 N 4.61 1.80 3.76 0.00 0.00 -0.39 -0.54 105.19 114.43 2jla n GLY 227 Ca -0.18 -1.83 -0.39 0.00 0.00 0.00 0.00 46.02 43.62 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 3.74 3.42 0.57 1.61 3.52 -0.50 -3.38 118.95 127.93 2jla s ARG 228 Ca 0.00 2.22 -0.15 0.00 -0.13 0.00 0.00 55.73 57.68 2jla s ARG 228 Cb 0.00 -2.42 -0.05 0.00 -1.56 0.00 0.00 34.95 30.92 2jla s ARG 228 CO 0.00 -0.96 1.02 -1.54 -0.81 0.00 0.00 175.30 173.01 2jla s SER 230 N -0.86 6.19 0.23 -2.12 1.04 -1.26 -3.95 113.70 112.98 2jla s SER 230 Ca 0.67 1.63 -0.07 0.00 0.48 0.00 0.00 55.95 58.66 2jla s SER 230 Cb -0.40 -2.51 0.28 0.00 0.10 0.00 0.00 66.02 63.49 2jla s SER 230 CO 0.49 -0.88 1.87 0.00 0.98 0.00 0.00 173.24 175.69 2jla h ALA 231 N 0.43 1.13 -0.06 5.32 0.00 -1.88 -0.95 119.26 123.26 2jla h ALA 231 Ca -0.46 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 2jla h ALA 231 Cb 1.20 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2jla h ALA 231 CO 0.60 0.34 -0.39 0.93 0.00 0.00 0.00 179.25 180.73 2jla h GLU 232 N 1.03 0.12 -0.69 0.00 4.39 -1.93 -2.95 114.58 114.55 2jla h GLU 232 Ca 0.35 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.92 2jla h GLU 232 Cb 0.06 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 2jla h GLU 232 CO -0.13 0.50 0.14 0.93 -1.16 0.00 0.00 179.01 179.29 2jla h GLU 233 N 0.11 1.12 -0.52 2.33 5.08 -1.58 -2.79 114.58 118.33 2jla h GLU 233 Ca 0.01 -0.28 0.09 0.00 -1.00 0.00 0.00 59.36 58.18 2jla h GLU 233 Cb 0.75 -0.14 -0.10 0.00 0.50 0.00 0.00 28.75 29.75 2jla h GLU 233 CO 0.06 1.00 -0.37 0.78 -1.00 0.00 0.00 179.01 179.48 2jla h GLY 234 N 1.05 -0.30 0.68 -3.84 0.00 -1.11 0.00 103.07 99.55 2jla h GLY 234 Ca 0.21 0.48 0.06 0.00 0.00 0.00 0.00 47.33 48.08 2jla h GLY 234 CO 0.01 -0.19 0.39 0.50 0.00 0.00 0.00 176.54 177.25 2jla h LYS 235 N -0.22 0.70 -0.67 4.80 1.57 -1.55 -2.14 116.57 119.05 2jla h LYS 235 Ca 0.19 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 2jla h LYS 235 Cb 0.56 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 2jla h LYS 235 CO -0.64 0.46 0.12 0.87 -0.57 0.00 0.00 179.45 179.70 2jla h LYS 236 N 0.72 1.09 -0.44 3.15 1.57 -1.04 -2.70 116.57 118.92 2jla h LYS 236 Ca 0.31 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 2jla h LYS 236 Cb 0.19 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2jla h LYS 236 CO -0.18 0.99 -0.03 0.28 -0.57 0.00 0.00 179.45 179.94 2jla h VAL 237 N 1.03 1.27 -0.12 0.50 2.07 -0.75 -2.01 116.25 118.24 2jla h VAL 237 Ca 0.21 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.67 2jla h VAL 237 Cb 0.42 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2jla h VAL 237 CO 0.01 0.38 -0.13 0.00 0.02 0.00 0.00 177.57 177.84 2jla h ALA 238 N 0.89 -0.06 -0.55 1.67 0.00 -1.17 0.80 119.26 120.84 2jla h ALA 238 Ca 0.12 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jla h ALA 238 Cb 0.54 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2jla h ALA 238 CO 0.03 -0.59 0.33 -0.07 0.00 0.00 0.00 179.25 178.95 2jla h LEU 239 N -0.17 0.67 -0.23 0.00 3.38 -1.38 -1.71 115.31 115.86 2jla h LEU 239 Ca 0.09 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2jla h LEU 239 Cb 0.29 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2jla h LEU 239 CO -0.22 0.53 0.06 -0.25 0.09 0.00 0.00 178.44 178.65 2jla h TRP 240 N 0.74 0.39 0.11 1.13 7.01 -1.08 -1.59 115.95 122.66 2jla h TRP 240 Ca 0.20 -0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.16 2jla h TRP 240 Cb -0.01 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 26.92 2jla h TRP 240 CO -0.02 0.47 -0.18 0.00 -2.79 0.00 0.00 178.44 175.92 2jla h ALA 241 N 0.87 -0.31 -0.54 2.65 0.00 -0.66 -2.39 119.26 118.89 2jla h ALA 241 Ca 0.07 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.05 2jla h ALA 241 Cb 0.28 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 2jla h ALA 241 CO 0.00 -0.71 0.10 0.37 0.00 0.00 0.00 179.25 179.02 2jla h GLN 242 N -0.35 0.23 -0.53 0.00 4.15 -1.31 -0.68 115.11 116.62 2jla h GLN 242 Ca 0.02 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.51 2jla h GLN 242 Cb 0.37 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 27.94 2jla h GLN 242 CO -0.09 0.15 0.16 1.15 -1.93 0.00 0.00 178.83 178.28 2jla h THR 243 N 0.24 0.78 0.00 2.39 2.02 -1.01 -1.08 112.91 116.25 2jla h THR 243 Ca 0.27 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.29 2jla h THR 243 Cb 0.38 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2jla h THR 243 CO -0.36 0.06 -0.24 -0.07 0.37 0.00 0.00 175.52 175.28 2jla h LEU 244 N 0.33 0.00 0.03 2.58 3.38 -0.86 -2.02 115.31 118.75 2jla h LEU 244 Ca 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2jla h LEU 244 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2jla h LEU 244 CO -0.29 0.24 -0.01 0.61 0.09 0.00 0.00 178.44 179.07 2jla n GLY 245 N -0.33 0.47 3.81 0.83 0.00 -0.33 -4.36 105.19 105.28 2jla n GLY 245 Ca -0.01 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.01 3.69 0.32 1.61 0.52 -1.12 -3.34 118.94 118.61 2jla s TRP 246 Ca 0.00 1.36 -0.29 0.00 0.02 0.00 0.00 56.10 57.19 2jla s TRP 246 Cb 0.00 -2.59 -0.10 0.00 -1.15 0.00 0.00 33.47 29.63 2jla s TRP 246 CO 0.00 0.39 1.33 -1.25 0.02 0.00 0.00 176.95 177.45 2jla s PRO 247 N -1.79 4.33 -0.30 4.98 0.04 -1.26 -4.53 135.00 136.47 2jla s PRO 247 Ca 0.40 2.24 -0.07 0.00 0.04 0.00 0.00 61.00 63.61 2jla s PRO 247 Cb -0.17 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.30 2jla s PRO 247 CO 0.21 -0.23 0.09 -1.17 0.04 0.00 0.00 177.00 175.94 2jla s LEU 248 N -1.61 3.90 -0.38 -3.56 2.96 -1.26 -1.07 118.68 117.65 2jla s LEU 248 Ca 0.50 -0.68 -0.16 0.00 -0.22 0.00 0.00 54.13 53.58 2jla s LEU 248 Cb -0.40 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.39 2jla s LEU 248 CO 0.52 -0.19 0.37 -0.63 -1.32 0.00 0.00 176.35 175.10 2jla s ILE 249 N 1.52 5.16 -0.13 6.68 1.01 -0.22 -4.05 121.20 131.17 2jla s ILE 249 Ca 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 2jla s ILE 249 Cb -0.17 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.36 2jla s ILE 249 CO 0.03 -0.24 -0.05 -0.83 0.00 0.00 0.00 174.94 173.85 2jla s GLY 250 N 1.75 1.70 0.73 6.18 0.00 -1.26 -0.55 107.32 115.87 2jla s GLY 250 Ca 0.10 -0.84 -0.11 0.00 0.00 0.00 0.00 44.72 43.87 2jla s GLY 250 CO 0.12 -0.22 1.08 -0.35 0.00 0.00 0.00 173.10 173.74 2jla s ASP 251 N 0.08 5.17 0.48 1.64 2.15 0.30 -4.89 116.67 121.60 2jla s ASP 251 Ca -0.01 1.31 0.22 0.00 0.43 0.00 0.00 52.55 54.50 2jla s ASP 251 Cb -0.14 -2.13 1.24 0.00 -0.30 0.00 0.00 42.92 41.59 2jla s ASP 251 CO 0.03 -1.54 1.92 -0.37 -0.17 0.00 0.00 175.17 175.04 2jla h VAL 252 N -0.79 0.71 -0.12 1.11 -1.51 -1.88 -1.54 116.25 112.22 2jla h VAL 252 Ca -0.45 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 2jla h VAL 252 Cb 1.24 0.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 2jla h VAL 252 CO 0.61 0.04 0.00 0.18 -1.23 0.00 0.00 177.57 177.17 2jla n LEU 253 N -4.42 1.43 0.01 4.19 4.77 -1.26 -4.22 117.00 117.50 2jla n LEU 253 Ca 0.15 -0.58 -0.11 0.00 -0.03 0.00 0.00 56.01 55.44 2jla n LEU 253 Cb 0.67 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.55 2jla n LEU 253 CO 0.35 0.29 -0.39 0.77 -1.33 0.00 0.00 177.39 177.07 2jla h SER 254 N 1.96 0.11 -2.46 -1.43 4.64 -1.28 -3.36 113.55 111.73 2jla h SER 254 Ca 0.00 -0.20 -0.39 0.00 -0.47 0.00 0.00 61.79 60.74 2jla h SER 254 Cb 0.43 -0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 62.41 2jla h SER 254 CO 0.00 1.17 -0.45 0.00 -0.87 0.00 0.00 176.83 176.68 2jla n GLN 255 N -3.22 -1.67 0.16 4.77 6.02 -1.26 -3.71 117.38 118.47 2jla n GLN 255 Ca -0.15 1.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.97 2jla n GLN 255 Cb 1.03 -5.55 0.38 0.00 1.02 0.00 0.00 30.24 27.12 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 -1.86 -0.76 112.91 116.72 2jla h THR 256 Ca -0.43 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 2jla h THR 256 Cb 1.31 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 2jla h THR 256 CO 0.55 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 2jla n GLY 257 N 0.93 0.59 3.77 5.82 0.00 -1.26 -4.63 105.19 110.41 2jla n GLY 257 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.09 0.31 1.61 6.02 -1.26 -4.65 117.38 116.32 2jla n GLN 258 Ca 0.00 0.58 0.20 0.00 -0.01 0.00 0.00 57.00 57.78 2jla n GLN 258 Cb 0.00 -3.14 1.09 0.00 1.02 0.00 0.00 30.24 29.20 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 -1.21 0.00 -2.78 -1.09 0.13 -1.84 -2.94 132.00 122.27 2jla h PRO 259 Ca -0.59 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 63.89 2jla h PRO 259 Cb 1.35 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 32.08 2jla h PRO 259 CO 0.43 0.00 -0.37 1.28 -0.23 0.00 0.00 178.00 179.11 2jla n LEU 260 N -2.94 3.83 -4.70 1.56 4.77 -1.26 -5.02 117.00 113.25 2jla n LEU 260 Ca -0.03 -5.29 -0.30 0.00 -0.03 0.00 0.00 56.01 50.36 2jla n LEU 260 Cb 0.11 -0.84 0.14 0.00 -2.33 0.00 0.00 43.42 40.50 2jla n LEU 260 CO 0.18 1.83 0.66 -2.16 -1.33 0.00 0.00 177.39 176.57 2jla s PRO 261 N -1.95 1.28 -1.52 3.23 0.04 -1.11 -3.88 135.00 131.08 2jla s PRO 261 Ca 0.32 1.08 -0.06 0.00 0.04 0.00 0.00 61.00 62.38 2jla s PRO 261 Cb 0.03 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.79 2jla s PRO 261 CO -0.08 -2.30 0.69 0.00 0.04 0.00 0.00 177.00 175.34 2jla h ALA 263 N 1.01 2.10 0.00 0.00 0.00 -1.81 0.30 119.26 120.85 2jla h ALA 263 Ca -0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2jla h ALA 263 Cb 1.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2jla h ALA 263 CO 0.57 -0.35 0.00 0.22 0.00 0.00 0.00 179.25 179.69 2jla h ASP 264 N 0.00 0.00 0.00 0.00 1.82 -1.83 -1.71 116.42 114.69 2jla h ASP 264 Ca 0.12 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 2jla h ASP 264 Cb 0.56 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.57 2jla h ASP 264 CO -0.00 0.00 -0.41 0.18 -1.61 0.00 0.00 179.24 177.40 2jla n LEU 265 N -2.99 1.26 0.32 2.28 4.77 0.91 -4.46 117.00 119.10 2jla n LEU 265 Ca -0.00 0.47 0.22 0.00 -0.03 0.00 0.00 56.01 56.66 2jla n LEU 265 Cb 0.24 -0.74 1.14 0.00 -2.33 0.00 0.00 43.42 41.73 2jla n LEU 265 CO 0.24 -0.46 1.15 4.11 -1.33 0.00 0.00 177.39 181.11 2jla h TRP 266 N -0.69 0.00 0.00 -1.77 5.08 -1.21 0.30 115.95 117.66 2jla h TRP 266 Ca 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.92 2jla h TRP 266 Cb 0.41 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.56 2jla h TRP 266 CO -0.18 0.00 -0.24 -0.07 -1.28 0.00 0.00 178.44 176.67 2jla h LEU 267 N 0.00 0.00 0.00 0.11 3.38 -1.54 -2.40 115.31 114.85 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 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jla h LEU 267 CO 0.00 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.38 2jla n GLY 268 N -0.10 -0.82 3.67 0.83 0.00 0.11 -4.63 105.19 104.24 2jla n GLY 268 Ca -0.01 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.02 5.92 0.51 1.61 3.84 -0.91 -4.64 114.94 119.25 2jla s ASN 269 Ca 0.38 0.13 0.28 0.00 0.21 0.00 0.00 52.86 53.87 2jla s ASN 269 Cb 0.18 -2.04 1.32 0.00 -0.55 0.00 0.00 41.25 40.16 2jla s ASN 269 CO 0.30 0.15 2.00 0.00 -2.79 0.00 0.00 177.10 176.76 2jla h ALA 270 N 6.89 1.15 -0.57 1.71 0.00 -1.85 -1.96 119.26 124.63 2jla h ALA 270 Ca -0.39 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 2jla h ALA 270 Cb 1.16 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2jla h ALA 270 CO 0.71 0.17 0.04 0.87 0.00 0.00 0.00 179.25 181.04 2jla h LYS 271 N 0.00 0.95 -0.10 0.00 1.57 -1.93 -1.61 116.57 115.45 2jla h LYS 271 Ca -0.00 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 2jla h LYS 271 Cb 0.47 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 2jla h LYS 271 CO 0.02 0.91 -0.10 0.00 -0.57 0.00 0.00 179.45 179.72 2jla h ALA 272 N 1.15 0.15 -0.52 3.86 0.00 -1.63 -2.36 119.26 119.90 2jla h ALA 272 Ca 0.17 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2jla h ALA 272 Cb 0.47 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2jla h ALA 272 CO 0.02 -0.02 0.14 1.79 0.00 0.00 0.00 179.25 181.18 2jla h THR 273 N -0.15 1.24 0.00 0.00 1.35 -1.45 -1.10 112.91 112.80 2jla h THR 273 Ca 0.02 -0.84 -0.07 0.00 -0.55 0.00 0.00 66.41 64.97 2jla h THR 273 Cb 0.61 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 2jla h THR 273 CO 0.02 0.31 -0.34 0.77 -0.25 0.00 0.00 175.52 176.04 2jla h SER 274 N 0.73 0.00 0.05 5.36 4.64 -1.38 -1.41 113.55 121.54 2jla h SER 274 Ca 0.17 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.35 2jla h SER 274 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2jla h SER 274 CO -0.00 0.34 -0.47 -0.08 -0.87 0.00 0.00 176.83 175.74 2jla h GLU 275 N 0.00 0.49 0.00 4.77 4.81 -0.97 -3.01 114.58 120.67 2jla h GLU 275 Ca -0.00 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 58.88 2jla h GLU 275 Cb 0.72 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 2jla h GLU 275 CO 0.04 0.86 -0.33 -0.07 -0.73 0.00 0.00 179.01 178.79 2jla h LEU 276 N 0.40 0.00 -1.11 1.64 3.38 -0.44 -2.82 115.31 116.36 2jla h LEU 276 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2jla h LEU 276 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2jla h LEU 276 CO 0.09 0.33 0.15 0.00 0.09 0.00 0.00 178.44 179.09 2jla n GLN 277 N -3.53 0.11 0.01 1.13 6.02 -0.61 -0.43 117.38 120.08 2jla n GLN 277 Ca -0.00 0.59 0.13 0.00 -0.01 0.00 0.00 57.00 57.71 2jla n GLN 277 Cb 0.47 -2.01 0.45 0.00 1.02 0.00 0.00 30.24 30.17 2jla n GLN 277 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jla n GLN 278 N -2.12 0.04 -2.14 -1.09 6.02 -1.06 -4.89 117.38 112.14 2jla n GLN 278 Ca -0.01 0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 2jla n GLN 278 Cb 0.18 -1.54 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 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 -3.02 3.62 -0.84 -1.58 0.00 0.42 -4.81 121.76 115.56 2jla s ALA 279 Ca 0.12 0.87 0.24 0.00 0.00 0.00 0.00 51.96 53.19 2jla s ALA 279 Cb 0.18 -3.67 0.26 0.00 0.00 0.00 0.00 23.12 19.88 2jla s ALA 279 CO 0.60 -1.16 1.22 1.04 0.00 0.00 0.00 175.76 177.46 2jla n GLN 280 N 6.28 0.12 -3.68 0.00 6.02 0.13 -4.36 117.38 121.89 2jla n GLN 280 Ca 0.15 0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 57.03 2jla n GLN 280 Cb 0.43 -1.55 -0.09 0.00 1.02 0.00 0.00 30.24 30.05 2jla n GLN 280 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 2jla s ILE 281 N -3.08 -0.00 -0.19 5.09 2.07 -1.18 -0.99 121.20 122.91 2jla s ILE 281 Ca 0.08 0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.31 2jla s ILE 281 Cb 0.16 -0.77 -0.01 0.00 0.13 0.00 0.00 42.46 41.97 2jla s ILE 281 CO 0.75 0.01 -0.08 -0.69 -1.91 0.00 0.00 174.94 173.01 2jla s VAL 282 N 0.57 3.14 -0.36 4.00 1.01 -1.09 -1.30 120.40 126.37 2jla s VAL 282 Ca -0.02 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 2jla s VAL 282 Cb -0.05 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.95 2jla s VAL 282 CO -0.03 0.47 0.22 -0.69 0.00 0.00 0.00 175.10 175.07 2jla s VAL 283 N 1.14 4.94 -0.19 2.92 1.01 -0.30 -0.86 120.40 129.06 2jla s VAL 283 Ca 0.01 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 2jla s VAL 283 Cb -0.14 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2jla s VAL 283 CO -0.02 -0.11 0.07 -1.58 0.00 0.00 0.00 175.10 173.46 2jla s GLN 284 N 1.65 3.96 -0.09 2.72 0.74 0.12 -2.00 119.66 126.75 2jla s GLN 284 Ca 0.05 -0.35 0.02 0.00 0.05 0.00 0.00 55.36 55.13 2jla s GLN 284 Cb -0.18 -3.26 -0.01 0.00 1.10 0.00 0.00 33.01 30.66 2jla s GLN 284 CO 0.08 0.21 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.36 2jla s LEU 285 N 0.54 2.53 0.04 3.68 1.02 -0.47 0.19 118.68 126.21 2jla s LEU 285 Ca 0.04 -0.36 0.00 0.00 0.02 0.00 0.00 54.13 53.83 2jla s LEU 285 Cb -0.13 -1.53 0.00 0.00 0.02 0.00 0.00 46.19 44.55 2jla s LEU 285 CO 0.01 0.22 0.00 0.61 0.02 0.00 0.00 176.35 177.21 2jla n GLY 286 N 3.13 -1.35 0.00 -3.19 0.00 -0.23 -1.26 105.19 102.29 2jla n GLY 286 Ca -0.18 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.38 0.00 -3.55 1.61 3.41 -1.25 -4.38 113.62 108.08 2jla n SER 287 Ca 0.00 -0.28 -0.20 0.00 -0.26 0.00 0.00 58.87 58.13 2jla n SER 287 Cb 0.07 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.08 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 -0.59 -2.86 -4.68 4.04 7.64 -1.26 -1.41 113.62 114.50 2jla n SER 288 Ca 0.00 -0.78 -0.41 0.00 1.01 0.00 0.00 58.87 58.70 2jla n SER 288 Cb 0.00 -4.45 0.02 0.00 -1.01 0.00 0.00 64.21 58.77 2jla n SER 288 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jla n LEU 289 N -4.04 3.87 -0.11 -3.43 4.32 -1.26 -4.71 117.00 111.65 2jla n LEU 289 Ca -0.23 1.06 -0.24 0.00 -0.02 0.00 0.00 56.01 56.58 2jla n LEU 289 Cb 0.66 -1.47 -0.11 0.00 -1.62 0.00 0.00 43.42 40.87 2jla n LEU 289 CO 0.65 -0.89 -0.84 0.41 -1.22 0.00 0.00 177.39 175.49 2jla n THR 290 N -0.45 1.55 -2.52 -5.08 -1.04 -1.26 -4.96 114.28 100.52 2jla n THR 290 Ca 0.08 -0.20 -0.41 0.00 -2.04 0.00 0.00 64.05 61.48 2jla n THR 290 Cb 0.40 -1.95 -0.04 0.00 -1.82 0.00 0.00 70.33 66.92 2jla n THR 290 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2jla s GLY 291 N -5.15 2.82 0.24 3.41 0.00 -1.26 -4.92 107.32 102.46 2jla s GLY 291 Ca -0.31 0.80 -0.07 0.00 0.00 0.00 0.00 44.72 45.13 2jla s GLY 291 CO 0.58 1.68 1.64 0.50 0.00 0.00 0.00 173.10 177.50 2jla h LYS 292 N 5.34 0.12 0.20 2.90 1.79 -1.95 0.11 116.57 125.08 2jla h LYS 292 Ca -0.44 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.01 2jla h LYS 292 Cb 1.21 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2jla h LYS 292 CO 0.73 0.08 -0.10 0.00 -1.08 0.00 0.00 179.45 179.08 2jla h ARG 293 N 0.12 -0.26 -0.49 3.15 -0.00 -1.92 -0.89 114.38 114.09 2jla h ARG 293 Ca 0.41 0.02 0.10 0.00 -0.50 0.00 0.00 59.98 60.01 2jla h ARG 293 Cb 0.72 0.06 -0.10 0.00 0.00 0.00 0.00 29.97 30.65 2jla h ARG 293 CO -0.64 0.05 -0.21 1.25 0.00 0.00 0.00 179.97 180.41 2jla h LEU 294 N -0.59 -0.74 -0.60 3.04 5.85 -1.73 1.14 115.31 121.68 2jla h LEU 294 Ca -0.03 0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.92 2jla h LEU 294 Cb 0.43 0.41 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 2jla h LEU 294 CO 0.05 -0.24 0.33 -0.07 -0.34 0.00 0.00 178.44 178.16 2jla h LEU 295 N -0.11 0.48 -0.33 2.25 3.38 -0.77 0.22 115.31 120.44 2jla h LEU 295 Ca 0.23 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.10 2jla h LEU 295 Cb 0.46 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2jla h LEU 295 CO -0.56 0.32 -0.29 1.56 0.09 0.00 0.00 178.44 179.56 2jla h GLN 296 N 0.62 0.79 -0.19 1.13 4.20 0.37 0.11 115.11 122.13 2jla h GLN 296 Ca 0.27 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 2jla h GLN 296 Cb 0.15 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2jla h GLN 296 CO -0.17 1.03 0.10 2.35 -0.67 0.00 0.00 178.83 181.47 2jla h TRP 297 N 0.56 0.27 -0.93 2.96 7.01 0.15 0.10 115.95 126.07 2jla h TRP 297 Ca 0.06 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.09 2jla h TRP 297 Cb 0.86 -0.09 -0.06 0.00 -2.10 0.00 0.00 29.16 27.78 2jla h TRP 297 CO 0.07 0.26 0.60 0.37 -2.79 0.00 0.00 178.44 176.95 2jla h GLN 298 N 0.20 1.11 -0.14 2.65 -0.00 -0.42 0.34 115.11 118.86 2jla h GLN 298 Ca 0.07 -0.07 -0.16 0.00 -0.00 0.00 0.00 58.65 58.49 2jla h GLN 298 Cb 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 27.48 27.30 2jla h GLN 298 CO -0.01 0.74 -0.59 0.00 0.00 0.00 0.00 178.83 178.96 2jla h ALA 299 N 1.40 0.72 0.03 3.38 0.00 -0.36 -3.27 119.26 121.16 2jla h ALA 299 Ca 0.38 -0.53 -0.23 0.00 0.00 0.00 0.00 54.91 54.52 2jla h ALA 299 Cb 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2jla h ALA 299 CO -0.14 0.71 -1.11 0.66 0.00 0.00 0.00 179.25 179.37 2jla h SER 300 N 0.34 0.10 -4.13 0.00 4.64 -0.06 -3.48 113.55 110.96 2jla h SER 300 Ca -0.00 -0.12 -0.54 0.00 -0.47 0.00 0.00 61.79 60.66 2jla h SER 300 Cb 1.13 -0.03 0.14 0.00 -0.31 0.00 0.00 62.40 63.32 2jla h SER 300 CO 0.10 1.09 0.45 0.00 -0.87 0.00 0.00 176.83 177.61 2jla n GLU 302 N -2.09 1.63 -1.56 0.00 1.02 -1.26 -5.00 120.64 113.38 2jla n GLU 302 Ca 0.14 -3.85 -0.30 0.00 -0.02 0.00 0.00 57.16 53.13 2jla n GLU 302 Cb 0.50 -1.79 0.09 0.00 -0.02 0.00 0.00 31.44 30.21 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 -2.40 2.13 0.19 3.49 0.04 -1.26 -4.96 135.00 132.22 2jla s PRO 303 Ca 0.41 0.65 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 2jla s PRO 303 Cb 0.27 -1.92 0.11 0.00 0.04 0.00 0.00 34.50 32.99 2jla s PRO 303 CO -0.09 -1.59 1.80 1.49 0.04 0.00 0.00 177.00 178.65 2jla h GLU 304 N -1.07 0.92 -4.73 4.56 4.81 -1.27 -3.44 114.58 114.36 2jla h GLU 304 Ca -0.47 -0.11 -0.26 0.00 -0.13 0.00 0.00 59.36 58.39 2jla h GLU 304 Cb 1.27 -0.18 -0.16 0.00 0.63 0.00 0.00 28.75 30.31 2jla h GLU 304 CO 0.59 0.70 -0.71 -1.21 -0.73 0.00 0.00 179.01 177.65 2jla s GLU 305 N -5.82 0.81 -0.10 1.92 2.02 -1.16 -4.86 118.70 111.50 2jla s GLU 305 Ca -0.13 -1.22 0.01 0.00 0.02 0.00 0.00 54.97 53.64 2jla s GLU 305 Cb 0.14 -0.31 0.02 0.00 0.10 0.00 0.00 34.13 34.07 2jla s GLU 305 CO 0.78 0.02 -0.10 -0.47 0.02 0.00 0.00 175.26 175.51 2jla s TYR 306 N -3.04 1.57 -0.12 1.61 5.04 -0.68 -2.69 117.35 119.05 2jla s TYR 306 Ca 0.08 -0.75 -0.00 0.00 -2.44 0.00 0.00 57.07 53.96 2jla s TYR 306 Cb 0.01 -1.24 -0.02 0.00 0.35 0.00 0.00 41.96 41.07 2jla s TYR 306 CO -0.03 -0.46 -0.11 -1.58 -1.34 0.00 0.00 175.55 172.03 2jla s TRP 307 N 1.36 2.85 -0.17 4.97 0.52 -0.04 0.27 118.94 128.70 2jla s TRP 307 Ca -0.01 -0.45 0.01 0.00 0.02 0.00 0.00 56.10 55.67 2jla s TRP 307 Cb -0.14 -1.83 0.01 0.00 -1.15 0.00 0.00 33.47 30.37 2jla s TRP 307 CO -0.05 -0.07 -0.18 0.42 0.02 0.00 0.00 176.95 177.08 2jla s ILE 308 N 0.11 2.30 -0.24 2.03 1.01 -0.65 0.10 121.20 125.86 2jla s ILE 308 Ca -0.05 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.68 2jla s ILE 308 Cb -0.14 -1.96 -0.00 0.00 0.01 0.00 0.00 42.46 40.37 2jla s ILE 308 CO 0.04 0.53 -0.01 -0.69 0.00 0.00 0.00 174.94 174.81 2jla s VAL 309 N 1.05 3.49 0.05 2.92 1.01 0.13 -0.93 120.40 128.12 2jla s VAL 309 Ca -0.01 -0.59 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 2jla s VAL 309 Cb -0.14 -2.66 0.07 0.00 0.00 0.00 0.00 36.38 33.65 2jla s VAL 309 CO -0.06 0.31 0.66 -0.62 0.00 0.00 0.00 175.10 175.39 2jla s ASP 310 N 1.47 -0.60 0.11 3.32 -1.08 -1.03 -1.07 116.67 117.79 2jla s ASP 310 Ca 0.04 0.33 0.27 0.00 -0.52 0.00 0.00 52.55 52.67 2jla s ASP 310 Cb -0.15 0.56 1.02 0.00 -1.46 0.00 0.00 42.92 42.88 2jla s ASP 310 CO -0.02 -0.78 1.84 -0.90 0.52 0.00 0.00 175.17 175.84 2jla n ASP 311 N 0.23 0.41 -4.91 -0.34 3.85 -0.61 -1.83 116.55 113.35 2jla n ASP 311 Ca -0.17 0.54 -0.28 0.00 -0.71 0.00 0.00 54.79 54.16 2jla n ASP 311 Cb 0.61 -0.65 -0.03 0.00 -1.35 0.00 0.00 41.12 39.70 2jla n ASP 311 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.20 176.46 2jla s ILE 312 N -3.05 5.03 0.57 2.12 -4.36 -1.26 -4.73 121.20 115.52 2jla s ILE 312 Ca 0.12 0.03 -0.07 0.00 -0.26 0.00 0.00 60.65 60.47 2jla s ILE 312 Cb 0.15 -3.74 -0.01 0.00 1.25 0.00 0.00 42.46 40.11 2jla s ILE 312 CO 0.56 -0.32 0.90 -1.61 0.24 0.00 0.00 174.94 174.70 2jla s GLU 313 N -3.56 3.24 0.00 0.37 2.02 -1.26 -4.92 118.70 114.59 2jla s GLU 313 Ca 0.44 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.66 2jla s GLU 313 Cb -0.11 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.87 2jla s GLU 313 CO 0.30 -0.54 0.00 0.41 0.02 0.00 0.00 175.26 175.45 2jla n GLY 314 N -2.54 0.82 3.77 -1.39 0.00 -1.26 -4.95 105.19 99.65 2jla n GLY 314 Ca 0.04 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.44 4.14 0.00 1.61 0.52 -1.26 -4.93 118.95 116.59 2jla s ARG 315 Ca 0.00 2.53 0.00 0.00 -0.52 0.00 0.00 55.73 57.74 2jla s ARG 315 Cb 0.00 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.47 2jla s ARG 315 CO 0.00 -0.53 0.19 1.28 0.02 0.00 0.00 175.30 176.26 2jla n LEU 316 N 1.16 0.38 -4.35 2.53 4.77 -1.26 -4.97 117.00 115.27 2jla n LEU 316 Ca 0.04 -0.55 -0.45 0.00 -0.03 0.00 0.00 56.01 55.01 2jla n LEU 316 Cb 0.39 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 2jla n LEU 316 CO 0.63 0.10 0.33 -0.62 -1.33 0.00 0.00 177.39 176.50 2jla s ASP 317 N -0.33 6.29 0.49 -1.43 2.15 -1.26 -4.92 116.67 117.66 2jla s ASP 317 Ca 0.00 -1.78 0.33 0.00 0.43 0.00 0.00 52.55 51.53 2jla s ASP 317 Cb 0.00 -2.26 1.74 0.00 -0.30 0.00 0.00 42.92 42.10 2jla s ASP 317 CO 0.00 -0.94 2.01 1.55 -0.17 0.00 0.00 175.17 177.62 2jla h PRO 318 N 8.86 0.00 -0.00 4.34 0.13 -1.99 0.04 132.00 143.37 2jla h PRO 318 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2jla h PRO 318 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2jla h PRO 318 CO 1.03 0.00 -0.43 0.00 -0.23 0.00 0.00 178.00 178.37 2jla n ALA 319 N -1.94 3.43 -3.60 -0.56 0.00 -1.26 -4.98 120.51 111.60 2jla n ALA 319 Ca -0.02 -0.38 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 2jla n ALA 319 Cb 0.08 -1.11 0.07 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.19 -2.49 -1.76 0.00 -0.00 -0.00 -4.96 115.22 104.83 2jla n HIS 320 Ca 0.08 0.96 -0.38 0.00 -0.00 0.00 0.00 57.72 58.38 2jla n HIS 320 Cb 0.34 -4.85 0.05 0.00 -0.00 0.00 0.00 29.99 25.53 2jla n HIS 320 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jla s HIS 321 N -3.37 2.21 0.17 4.41 3.76 -1.26 -4.96 115.29 116.24 2jla s HIS 321 Ca 0.35 1.40 -0.32 0.00 -0.15 0.00 0.00 55.06 56.34 2jla s HIS 321 Cb -0.16 -3.78 -0.12 0.00 1.11 0.00 0.00 32.58 29.63 2jla s HIS 321 CO 0.75 -2.94 1.76 -2.13 -0.85 0.00 0.00 174.74 171.33 2jla n ARG 322 N -1.30 2.75 0.00 1.40 0.63 -1.26 -4.80 116.66 114.08 2jla n ARG 322 Ca 0.12 0.99 0.00 0.00 -0.92 0.00 0.00 57.85 58.04 2jla n ARG 322 Cb 0.46 -2.86 0.00 0.00 0.45 0.00 0.00 32.46 30.51 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 4.05 -0.55 3.09 5.14 0.00 -1.26 -1.69 105.19 113.96 2jla n GLY 323 Ca 0.17 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.65 0.72 -0.55 1.61 3.00 0.14 -4.89 118.95 118.33 2jla s ARG 324 Ca 0.00 -0.66 0.04 0.00 0.00 0.00 0.00 55.73 55.11 2jla s ARG 324 Cb 0.00 -0.66 0.15 0.00 0.00 0.00 0.00 34.95 34.44 2jla s ARG 324 CO 0.00 0.16 0.35 0.50 0.00 0.00 0.00 175.30 176.31 2jla s ARG 325 N -1.10 1.80 -0.19 3.54 3.00 -1.26 -1.63 118.95 123.11 2jla s ARG 325 Ca -0.02 -2.63 -0.18 0.00 -1.00 0.00 0.00 55.73 51.90 2jla s ARG 325 Cb -0.07 -2.79 -0.03 0.00 0.00 0.00 0.00 34.95 32.05 2jla s ARG 325 CO 0.01 -1.23 0.50 -0.51 0.00 0.00 0.00 175.30 174.07 2jla s LEU 326 N -0.48 4.16 -0.35 -0.88 1.43 -0.11 -4.99 118.68 117.46 2jla s LEU 326 Ca 0.22 0.68 -0.12 0.00 -1.03 0.00 0.00 54.13 53.88 2jla s LEU 326 Cb -0.13 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.40 2jla s LEU 326 CO -0.09 -0.15 0.22 -0.63 0.23 0.00 0.00 176.35 175.94 2jla s ILE 327 N 1.48 4.98 -0.01 -0.59 -1.09 -1.26 -2.47 121.20 122.24 2jla s ILE 327 Ca 0.24 -0.48 -0.28 0.00 -2.23 0.00 0.00 60.65 57.89 2jla s ILE 327 Cb -0.15 -3.64 0.09 0.00 -1.58 0.00 0.00 42.46 37.17 2jla s ILE 327 CO 0.10 -0.10 0.75 0.00 -1.23 0.00 0.00 174.94 174.46 2jla s ALA 328 N 1.65 -1.77 0.16 9.38 0.00 -0.76 -1.11 121.76 129.32 2jla s ALA 328 Ca 0.05 1.11 -0.32 0.00 0.00 0.00 0.00 51.96 52.80 2jla s ALA 328 Cb -0.18 0.16 -0.11 0.00 0.00 0.00 0.00 23.12 23.00 2jla s ALA 328 CO 0.09 -0.51 1.67 1.21 0.00 0.00 0.00 175.76 178.21 2jla s ASN 329 N -1.78 6.49 0.11 0.00 3.84 -1.26 -1.57 114.94 120.77 2jla s ASN 329 Ca -0.04 2.71 -0.18 0.00 0.21 0.00 0.00 52.86 55.57 2jla s ASN 329 Cb -0.01 -2.59 -0.05 0.00 -0.55 0.00 0.00 41.25 38.05 2jla s ASN 329 CO -0.01 -0.91 1.61 0.40 -2.79 0.00 0.00 177.10 175.41 2jla h ILE 330 N 4.12 1.21 -0.83 -5.21 2.04 -1.93 0.29 117.51 117.21 2jla h ILE 330 Ca -0.43 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 64.75 2jla h ILE 330 Cb 1.20 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 2jla h ILE 330 CO 0.94 0.23 0.55 0.00 0.00 0.00 0.00 178.15 179.87 2jla h ALA 331 N 0.91 1.42 -0.31 1.87 0.00 -1.94 -2.00 119.26 119.21 2jla h ALA 331 Ca 0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2jla h ALA 331 Cb 0.27 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jla h ALA 331 CO -0.00 0.53 -0.00 -0.44 0.00 0.00 0.00 179.25 179.34 2jla h ASP 332 N 1.11 0.53 -0.91 0.00 3.32 -1.81 -3.03 116.42 115.64 2jla h ASP 332 Ca 0.31 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2jla h ASP 332 Cb -0.11 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 2jla h ASP 332 CO -0.07 0.71 0.59 -0.25 -1.72 0.00 0.00 179.24 178.50 2jla h TRP 333 N 0.34 1.15 0.00 4.55 7.01 -0.26 -0.26 115.95 128.48 2jla h TRP 333 Ca 0.09 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.05 2jla h TRP 333 Cb 0.44 -0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 2jla h TRP 333 CO 0.04 0.73 -0.26 -0.07 -2.79 0.00 0.00 178.44 176.09 2jla h LEU 334 N 1.23 0.00 0.16 0.65 3.38 -1.40 0.51 115.31 119.84 2jla h LEU 334 Ca 0.33 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.01 2jla h LEU 334 Cb -0.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.63 2jla h LEU 334 CO -0.07 0.26 -1.34 -0.33 0.09 0.00 0.00 178.44 177.05 2jla h GLU 335 N 0.00 0.33 -0.00 1.13 5.08 -1.13 -2.57 114.58 117.43 2jla h GLU 335 Ca -0.00 -0.57 -0.17 0.00 -1.00 0.00 0.00 59.36 57.62 2jla h GLU 335 Cb 0.48 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2jla h GLU 335 CO 0.03 1.26 -0.80 1.25 -1.00 0.00 0.00 179.01 179.76 2jla h LEU 336 N 0.09 0.02 -6.32 1.33 5.85 -0.76 -3.32 115.31 112.21 2jla h LEU 336 Ca -0.18 -0.02 -0.60 0.00 0.84 0.00 0.00 57.88 57.92 2jla h LEU 336 Cb 2.03 -0.01 -0.42 0.00 0.37 0.00 0.00 40.66 42.63 2jla h LEU 336 CO 0.22 0.81 -0.59 1.41 -0.34 0.00 0.00 178.44 179.95 2jla n HIS 337 N -3.61 3.61 -1.18 1.25 8.25 0.17 -4.95 115.22 118.77 2jla n HIS 337 Ca -0.01 -4.18 -0.32 0.00 -0.26 0.00 0.00 57.72 52.95 2jla n HIS 337 Cb 0.76 -0.57 0.11 0.00 1.12 0.00 0.00 29.99 31.41 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 -2.35 1.96 0.11 -0.41 0.04 -0.97 -4.58 135.00 128.80 2jla s PRO 338 Ca 0.38 1.37 -0.23 0.00 0.04 0.00 0.00 61.00 62.56 2jla s PRO 338 Cb 0.12 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.74 2jla s PRO 338 CO -0.03 -1.90 0.68 0.00 0.04 0.00 0.00 177.00 175.79 2jla s ALA 339 N -2.66 3.50 -0.10 8.56 0.00 -1.26 -5.05 121.76 124.75 2jla s ALA 339 Ca 0.65 0.21 -0.14 0.00 0.00 0.00 0.00 51.96 52.68 2jla s ALA 339 Cb -0.20 -2.82 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 2jla s ALA 339 CO 0.54 0.31 0.33 -2.00 0.00 0.00 0.00 175.76 174.93 2jla s GLU 340 N -0.98 4.04 -0.01 0.00 2.12 -1.26 -4.92 118.70 117.69 2jla s GLU 340 Ca 0.33 0.21 -0.30 0.00 0.36 0.00 0.00 54.97 55.57 2jla s GLU 340 Cb -0.21 -3.33 -0.07 0.00 0.26 0.00 0.00 34.13 30.78 2jla s GLU 340 CO 0.23 0.45 1.75 0.21 -0.54 0.00 0.00 175.26 177.36 2jla s LYS 341 N -0.23 4.17 -0.06 4.30 2.20 -1.26 -3.83 119.74 125.03 2jla s LYS 341 Ca 0.20 2.34 -0.16 0.00 -0.36 0.00 0.00 55.97 57.99 2jla s LYS 341 Cb -0.14 -3.99 0.03 0.00 -1.51 0.00 0.00 37.83 32.22 2jla s LYS 341 CO 0.08 -0.87 0.38 0.50 -0.36 0.00 0.00 175.35 175.08 2jla s ARG 342 N 3.99 0.63 0.28 4.03 6.06 -0.76 -5.01 118.95 128.17 2jla s ARG 342 Ca 0.78 0.11 -0.28 0.00 -2.50 0.00 0.00 55.73 53.84 2jla s ARG 342 Cb -0.37 0.29 -0.09 0.00 0.06 0.00 0.00 34.95 34.84 2jla s ARG 342 CO 0.34 -0.15 0.97 -1.14 -2.50 0.00 0.00 175.30 172.81 2jla s GLN 343 N -0.78 4.71 0.76 5.12 2.00 -1.26 -3.88 119.66 126.33 2jla s GLN 343 Ca -0.09 1.49 -0.15 0.00 -2.00 0.00 0.00 55.36 54.61 2jla s GLN 343 Cb -0.04 -3.08 0.02 0.00 0.80 0.00 0.00 33.01 30.71 2jla s GLN 343 CO 0.04 0.37 0.90 -0.35 -0.50 0.00 0.00 175.29 175.74 2jla n PRO 344 N 1.09 0.32 0.00 1.67 -0.04 -1.26 -4.80 135.00 131.98 2jla n PRO 344 Ca -0.00 0.17 0.03 0.00 -0.04 0.00 0.00 63.50 63.66 2jla n PRO 344 Cb 0.48 -2.17 -0.03 0.00 -0.04 0.00 0.00 33.50 31.73 2jla n PRO 344 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2jla n TRP 345 N -2.78 0.00 -3.59 0.54 4.27 -1.21 -5.01 117.44 109.66 2jla n TRP 345 Ca 0.12 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.35 2jla n TRP 345 Cb 0.50 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.39 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 1.87 0.51 -0.02 0.00 0.31 -1.26 -4.87 118.33 114.87 2jla n VAL 347 Ca -0.15 -0.16 0.05 0.00 -0.01 0.00 0.00 64.34 64.07 2jla n VAL 347 Cb 0.53 -1.31 -0.13 0.00 -0.91 0.00 0.00 33.84 32.02 2jla n VAL 347 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2jla n GLU 348 N -3.16 0.70 -0.16 5.55 0.28 -1.26 -4.53 120.64 118.06 2jla n GLU 348 Ca -0.17 -0.13 -0.07 0.00 -0.16 0.00 0.00 57.16 56.64 2jla n GLU 348 Cb 0.64 -1.41 0.03 0.00 1.43 0.00 0.00 31.44 32.13 2jla n GLU 348 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2jla h ILE 349 N 0.00 1.09 -0.55 3.84 2.04 -1.91 -0.09 117.51 121.94 2jla h ILE 349 Ca -0.09 -0.22 0.10 0.00 1.00 0.00 0.00 64.86 65.65 2jla h ILE 349 Cb 1.03 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 37.43 2jla h ILE 349 CO 0.00 0.12 0.10 -0.65 0.00 0.00 0.00 178.15 177.72 2jla h PRO 350 N 0.63 0.22 -0.25 2.37 0.11 -1.90 0.06 132.00 133.25 2jla h PRO 350 Ca 0.19 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 2jla h PRO 350 Cb -0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 2jla h PRO 350 CO -0.06 0.15 0.07 -0.09 -0.21 0.00 0.00 178.00 177.85 2jla h ARG 351 N 0.23 0.39 -0.54 1.05 9.65 -1.70 -2.83 114.38 120.62 2jla h ARG 351 Ca 0.28 -0.09 0.01 0.00 -1.10 0.00 0.00 59.98 59.08 2jla h ARG 351 Cb 0.41 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 2jla h ARG 351 CO -0.38 0.49 0.35 -0.07 2.80 0.00 0.00 179.97 183.16 2jla h LEU 352 N 0.23 0.60 -0.97 3.80 3.38 -0.62 -1.90 115.31 119.83 2jla h LEU 352 Ca 0.08 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2jla h LEU 352 Cb 0.26 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 2jla h LEU 352 CO -0.00 0.43 0.64 0.00 0.09 0.00 0.00 178.44 179.60 2jla h ALA 353 N 1.21 1.28 0.00 1.53 0.00 -0.99 -1.09 119.26 121.20 2jla h ALA 353 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jla h ALA 353 Cb -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.37 2jla h ALA 353 CO -0.06 0.54 -0.00 1.49 0.00 0.00 0.00 179.25 181.22 2jla h GLU 354 N 1.25 -0.01 -0.76 0.00 4.81 -1.12 -2.90 114.58 115.84 2jla h GLU 354 Ca 0.38 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 2jla h GLU 354 Cb -0.03 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 2jla h GLU 354 CO -0.11 0.10 0.45 1.96 -0.73 0.00 0.00 179.01 180.67 2jla h GLN 355 N -0.11 1.04 0.00 1.92 4.20 -1.18 -1.93 115.11 119.04 2jla h GLN 355 Ca -0.00 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2jla h GLN 355 Cb 0.11 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.67 2jla h GLN 355 CO 0.00 0.74 0.00 0.00 -0.67 0.00 0.00 178.83 178.90 2jla n ALA 356 N -2.42 0.96 0.00 3.87 0.00 -0.43 -0.49 120.51 121.99 2jla n ALA 356 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2jla n ALA 356 Cb 0.08 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 0.37 0.00 -0.00 0.00 6.02 -0.73 -1.80 117.38 121.24 2jla n GLN 358 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 2jla n GLN 358 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 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 -0.10 -0.12 -1.58 0.00 -1.06 0.37 119.26 116.76 2jla h ALA 359 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jla h ALA 359 Cb 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2jla h ALA 359 CO 0.00 -0.62 0.07 0.28 0.00 0.00 0.00 179.25 178.97 2jla h VAL 360 N -0.21 1.01 -1.00 0.00 2.07 -1.63 -2.03 116.25 114.46 2jla h VAL 360 Ca 0.10 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.68 2jla h VAL 360 Cb 0.36 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 2jla h VAL 360 CO -0.26 0.03 0.63 0.40 0.02 0.00 0.00 177.57 178.39 2jla h ILE 361 N 0.14 0.96 -0.31 4.57 2.04 -1.74 0.47 117.51 123.64 2jla h ILE 361 Ca 0.05 -0.36 0.09 0.00 1.00 0.00 0.00 64.86 65.64 2jla h ILE 361 Cb -0.00 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 35.90 2jla h ILE 361 CO -0.03 0.19 0.36 0.00 0.00 0.00 0.00 178.15 178.68 2jla h ALA 362 N 1.52 1.97 -0.31 1.87 0.00 0.48 -2.16 119.26 122.63 2jla h ALA 362 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2jla h ALA 362 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2jla h ALA 362 CO -0.24 -0.52 0.00 0.54 0.00 0.00 0.00 179.25 179.02 2jla n ARG 363 N -3.69 2.99 0.08 0.00 5.12 0.14 -4.71 116.66 116.58 2jla n ARG 363 Ca 0.05 -2.59 0.09 0.00 -1.93 0.00 0.00 57.85 53.47 2jla n ARG 363 Cb 0.51 -1.66 0.40 0.00 -1.16 0.00 0.00 32.46 30.55 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 -0.09 0.10 -0.03 5.56 1.85 -0.81 -4.12 116.66 119.12 2jla n ARG 364 Ca 0.18 0.39 -0.14 0.00 -1.00 0.00 0.00 57.85 57.28 2jla n ARG 364 Cb 0.74 -1.72 -0.11 0.00 -1.05 0.00 0.00 32.46 30.32 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 0.14 -2.57 2.89 3.32 -1.84 -3.46 116.42 114.89 2jla h ASP 365 Ca 0.00 -0.73 -0.60 0.00 0.02 0.00 0.00 57.03 55.72 2jla h ASP 365 Cb 0.26 -0.04 0.10 0.00 0.22 0.00 0.00 39.33 39.86 2jla h ASP 365 CO 0.00 0.84 0.34 0.00 -1.72 0.00 0.00 179.24 178.71 2jla n ALA 366 N -2.50 0.27 -1.50 3.45 0.00 -1.26 -4.83 120.51 114.14 2jla n ALA 366 Ca -0.09 0.40 -0.40 0.00 0.00 0.00 0.00 53.44 53.35 2jla n ALA 366 Cb 0.43 -2.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.73 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 0.91 2.75 -4.55 0.00 7.35 -1.26 -4.64 117.46 118.01 2jla n PHE 367 Ca 0.10 -3.04 -0.26 0.00 -0.76 0.00 0.00 57.45 53.50 2jla n PHE 367 Cb 0.31 -2.45 -0.11 0.00 0.35 0.00 0.00 39.48 37.58 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 2.29 2.28 0.29 7.13 0.00 -1.26 -4.91 107.32 113.13 2jla s GLY 368 Ca 0.62 -2.17 -0.01 0.00 0.00 0.00 0.00 44.72 43.16 2jla s GLY 368 CO -0.07 -2.02 1.85 1.05 0.00 0.00 0.00 173.10 173.92 2jla h GLU 369 N 1.95 0.86 -0.40 2.90 4.11 -1.94 0.25 114.58 122.30 2jla h GLU 369 Ca -0.43 -0.15 0.08 0.00 0.07 0.00 0.00 59.36 58.93 2jla h GLU 369 Cb 1.24 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.28 2jla h GLU 369 CO 0.75 0.73 -0.05 0.00 0.07 0.00 0.00 179.01 180.51 2jla h ALA 370 N 1.37 0.32 -0.24 1.06 0.00 -1.91 -1.23 119.26 118.63 2jla h ALA 370 Ca 0.19 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2jla h ALA 370 Cb 0.23 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jla h ALA 370 CO -0.01 -0.42 -0.00 1.96 0.00 0.00 0.00 179.25 180.77 2jla h GLN 371 N 0.05 0.42 -0.48 0.00 7.50 -1.54 -2.10 115.11 118.97 2jla h GLN 371 Ca 0.20 -0.13 0.09 0.00 0.50 0.00 0.00 58.65 59.31 2jla h GLN 371 Cb 0.29 -0.04 -0.10 0.00 0.05 0.00 0.00 27.48 27.69 2jla h GLN 371 CO -0.37 0.60 -0.29 1.25 -1.50 0.00 0.00 178.83 178.51 2jla h LEU 372 N 0.19 -1.00 -0.08 1.46 6.46 -0.69 -1.77 115.31 119.88 2jla h LEU 372 Ca 0.07 0.20 0.03 0.00 -0.12 0.00 0.00 57.88 58.06 2jla h LEU 372 Cb 0.41 0.50 -0.04 0.00 -0.73 0.00 0.00 40.66 40.80 2jla h LEU 372 CO 0.01 -0.29 -0.13 0.00 -0.62 0.00 0.00 178.44 177.40 2jla h ALA 373 N 0.97 -0.09 -0.49 1.25 0.00 -1.07 -2.47 119.26 117.35 2jla h ALA 373 Ca 0.21 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.25 2jla h ALA 373 Cb 0.52 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.47 2jla h ALA 373 CO -0.58 -0.60 -0.22 1.25 0.00 0.00 0.00 179.25 179.09 2jla h HIS 374 N -0.19 -0.57 -0.91 0.00 -0.00 -0.68 -2.73 115.15 110.08 2jla h HIS 374 Ca 0.07 0.05 -0.46 0.00 -0.00 0.00 0.00 60.37 60.04 2jla h HIS 374 Cb 0.29 0.33 -0.27 0.00 -0.00 0.00 0.00 27.41 27.75 2jla h HIS 374 CO -0.23 -0.31 0.58 2.89 -0.00 0.00 0.00 177.93 180.87 2jla n ARG 375 N -5.41 2.29 0.23 5.26 1.85 -0.73 -4.38 116.66 115.77 2jla n ARG 375 Ca 0.04 -2.81 0.06 0.00 -1.00 0.00 0.00 57.85 54.14 2jla n ARG 375 Cb 0.32 -2.10 0.53 0.00 -1.05 0.00 0.00 32.46 30.15 2jla n ARG 375 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 177.63 178.59 2jla h ILE 376 N 1.07 1.03 -0.67 8.89 6.09 -1.12 -2.93 117.51 129.87 2jla h ILE 376 Ca 0.57 -0.70 -0.01 0.00 -1.37 0.00 0.00 64.86 63.34 2jla h ILE 376 Cb 2.71 1.39 -0.03 0.00 0.47 0.00 0.00 36.82 41.35 2jla h ILE 376 CO 1.00 0.19 0.37 0.00 -3.07 0.00 0.00 178.15 176.65 2jla n ASP 378 N -4.51 0.20 -0.00 0.00 8.00 -1.10 -1.80 116.55 117.33 2jla n ASP 378 Ca 0.05 0.43 0.01 0.00 0.71 0.00 0.00 54.79 55.99 2jla n ASP 378 Cb 0.09 -0.29 -0.01 0.00 -0.02 0.00 0.00 41.12 40.89 2jla n ASP 378 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2jla n TYR 379 N -1.93 0.00 -1.79 1.24 4.01 0.72 -5.05 117.16 114.36 2jla n TYR 379 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 2jla n TYR 379 Cb 0.51 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.52 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 -2.40 4.32 0.54 7.72 1.43 -0.74 -4.94 118.68 124.61 2jla s LEU 380 Ca 0.00 3.05 -0.21 0.00 -1.03 0.00 0.00 54.13 55.94 2jla s LEU 380 Cb 0.02 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 2jla s LEU 380 CO 0.09 -0.89 1.21 -2.16 0.23 0.00 0.00 176.35 174.83 2jla s PRO 381 N -1.87 3.28 0.10 1.29 0.04 -1.26 -4.95 135.00 131.62 2jla s PRO 381 Ca 0.54 1.85 -0.31 0.00 0.04 0.00 0.00 61.00 63.13 2jla s PRO 381 Cb -0.47 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 31.85 2jla s PRO 381 CO 0.61 -0.97 1.62 -1.21 0.04 0.00 0.00 177.00 177.10 2jla s GLU 382 N -3.07 4.21 -1.46 4.56 0.41 -1.26 -2.08 118.70 120.01 2jla s GLU 382 Ca 0.72 2.34 -0.10 0.00 -0.41 0.00 0.00 54.97 57.52 2jla s GLU 382 Cb -0.31 -3.45 0.05 0.00 -1.78 0.00 0.00 34.13 28.63 2jla s GLU 382 CO 0.35 -0.69 0.90 1.04 -0.49 0.00 0.00 175.26 176.37 2jla n GLN 383 N 5.06 -5.81 0.00 1.61 1.13 -1.26 -4.82 117.38 113.29 2jla n GLN 383 Ca 0.15 0.72 0.00 0.00 -1.94 0.00 0.00 57.00 55.93 2jla n GLN 383 Cb 0.40 -5.63 0.00 0.00 0.11 0.00 0.00 30.24 25.12 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 -1.68 4.07 3.58 1.08 0.00 -0.88 -4.38 105.19 106.97 2jla n GLY 384 Ca -0.01 -1.94 -0.16 0.00 0.00 0.00 0.00 46.02 43.91 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 2.55 0.92 -0.21 1.61 -2.07 -0.61 -4.52 119.66 117.34 2jla s GLN 385 Ca 0.00 0.61 -0.07 0.00 -1.82 0.00 0.00 55.36 54.08 2jla s GLN 385 Cb 0.00 0.44 -0.03 0.00 -1.09 0.00 0.00 33.01 32.33 2jla s GLN 385 CO 0.00 -0.21 0.06 -1.17 -1.32 0.00 0.00 175.29 172.65 2jla s LEU 386 N -0.42 3.60 -0.35 2.60 2.96 -0.71 -0.89 118.68 125.48 2jla s LEU 386 Ca -0.05 -0.06 -0.13 0.00 -0.22 0.00 0.00 54.13 53.67 2jla s LEU 386 Cb -0.02 -1.93 -0.00 0.00 0.50 0.00 0.00 46.19 44.73 2jla s LEU 386 CO 0.05 0.09 0.24 0.12 -1.32 0.00 0.00 176.35 175.53 2jla s PHE 387 N 0.87 3.22 -0.21 5.38 5.36 0.53 0.07 117.98 133.20 2jla s PHE 387 Ca 0.03 -0.41 -0.19 0.00 -0.96 0.00 0.00 56.93 55.40 2jla s PHE 387 Cb -0.14 -2.48 -0.03 0.00 -0.34 0.00 0.00 43.02 40.03 2jla s PHE 387 CO 0.02 -0.45 0.53 0.08 -1.46 0.00 0.00 175.22 173.95 2jla s VAL 388 N 1.68 5.09 1.01 3.12 1.01 0.00 -2.72 120.40 129.59 2jla s VAL 388 Ca 0.05 0.98 -0.17 0.00 0.00 0.00 0.00 61.98 62.84 2jla s VAL 388 Cb -0.18 -3.85 0.22 0.00 0.00 0.00 0.00 36.38 32.56 2jla s VAL 388 CO 0.09 0.15 1.29 -0.83 0.00 0.00 0.00 175.10 175.81 2jla s GLY 389 N 1.21 1.76 0.30 4.51 0.00 -0.63 -4.36 107.32 110.11 2jla s GLY 389 Ca 0.24 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.79 2jla s GLY 389 CO 0.10 -0.38 0.41 0.70 0.00 0.00 0.00 173.10 173.93 2jla n ASN 390 N -3.94 0.60 0.00 1.64 3.02 -1.26 -3.48 115.26 111.83 2jla n ASN 390 Ca 0.15 -1.49 0.00 0.00 -0.03 0.00 0.00 54.58 53.21 2jla n ASN 390 Cb 0.59 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 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 -2.94 0.00 -0.12 6.41 2.88 -1.26 -3.98 113.62 114.60 2jla n SER 391 Ca 0.07 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.56 2jla n SER 391 Cb 0.25 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.86 2jla n SER 391 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2jla h LEU 392 N 0.00 0.79 -0.35 2.46 5.85 -1.97 -3.25 115.31 118.84 2jla h LEU 392 Ca 0.00 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2jla h LEU 392 Cb 0.00 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 2jla h LEU 392 CO 0.00 0.84 0.21 1.62 -0.34 0.00 0.00 178.44 180.77 2jla h VAL 393 N 0.78 1.12 -0.86 1.05 3.04 -1.84 0.14 116.25 119.67 2jla h VAL 393 Ca 0.16 -0.27 -0.03 0.00 -1.01 0.00 0.00 66.70 65.55 2jla h VAL 393 Cb 0.43 0.67 -0.04 0.00 -2.01 0.00 0.00 31.29 30.34 2jla h VAL 393 CO 0.02 0.12 0.44 1.62 -1.01 0.00 0.00 177.57 178.75 2jla h VAL 394 N 0.45 1.26 -0.59 1.51 3.04 -1.59 -1.64 116.25 118.69 2jla h VAL 394 Ca 0.12 -0.70 -0.05 0.00 -1.01 0.00 0.00 66.70 65.07 2jla h VAL 394 Cb 0.00 0.13 -0.02 0.00 -2.01 0.00 0.00 31.29 29.39 2jla h VAL 394 CO -0.02 0.30 0.17 0.03 -1.01 0.00 0.00 177.57 177.05 2jla h ARG 395 N 1.22 0.92 -0.26 4.17 3.08 -1.40 -2.41 114.38 119.70 2jla h ARG 395 Ca 0.30 -0.20 -0.19 0.00 0.07 0.00 0.00 59.98 59.95 2jla h ARG 395 Cb 0.09 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2jla h ARG 395 CO -0.04 0.83 -0.59 -0.07 -1.07 0.00 0.00 179.97 179.03 2jla h LEU 396 N 0.83 0.96 -1.06 3.04 3.38 -0.41 -0.91 115.31 121.13 2jla h LEU 396 Ca 0.19 -0.53 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 2jla h LEU 396 Cb 0.30 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2jla h LEU 396 CO -0.00 1.33 -0.01 0.40 0.09 0.00 0.00 178.44 180.25 2jla h ILE 397 N 0.64 1.22 0.00 1.22 2.04 -1.31 -0.12 117.51 121.21 2jla h ILE 397 Ca 0.00 -0.91 -0.11 0.00 1.00 0.00 0.00 64.86 64.84 2jla h ILE 397 Cb 1.20 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 2jla h ILE 397 CO 0.13 0.32 -0.53 -0.78 0.00 0.00 0.00 178.15 177.28 2jla h ASP 398 N 0.62 0.00 0.22 1.72 -0.00 -1.25 -2.05 116.42 115.68 2jla h ASP 398 Ca 0.13 0.00 -0.35 0.00 -0.00 0.00 0.00 57.03 56.81 2jla h ASP 398 Cb 0.40 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.73 2jla h ASP 398 CO 0.02 0.53 -1.79 0.00 -0.00 0.00 0.00 179.24 178.00 2jla h ALA 399 N 1.47 0.28 -0.00 -0.78 0.00 -0.77 -3.42 119.26 116.03 2jla h ALA 399 Ca -0.01 -1.22 0.00 0.00 0.00 0.00 0.00 54.91 53.68 2jla h ALA 399 Cb 1.15 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2jla h ALA 399 CO 0.07 1.15 0.00 1.28 0.00 0.00 0.00 179.25 181.75 2jla n LEU 400 N -3.52 1.16 -4.15 0.00 4.77 -0.09 -3.90 117.00 111.27 2jla n LEU 400 Ca -0.25 -1.05 -0.18 0.00 -0.03 0.00 0.00 56.01 54.50 2jla n LEU 400 Cb 1.06 -0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 42.03 2jla n LEU 400 CO 0.49 0.28 -0.45 -0.55 -1.33 0.00 0.00 177.39 175.82 2jla s SER 401 N -0.15 1.57 -0.73 -1.43 0.15 -0.77 -4.31 113.70 108.03 2jla s SER 401 Ca 0.02 -0.56 -0.07 0.00 0.70 0.00 0.00 55.95 56.04 2jla s SER 401 Cb 0.01 -0.06 0.19 0.00 -1.71 0.00 0.00 66.02 64.45 2jla s SER 401 CO 0.02 -0.05 0.60 -1.58 1.20 0.00 0.00 173.24 173.42 2jla s GLN 402 N -1.53 3.05 0.36 5.44 0.74 -1.26 -4.69 119.66 121.77 2jla s GLN 402 Ca -0.02 -2.56 -0.27 0.00 0.05 0.00 0.00 55.36 52.57 2jla s GLN 402 Cb -0.09 -4.03 -0.09 0.00 1.10 0.00 0.00 33.01 29.89 2jla s GLN 402 CO 0.02 -1.23 1.19 -0.51 -0.55 0.00 0.00 175.29 174.21 2jla s LEU 403 N -0.07 4.31 0.29 3.68 1.43 -1.26 -4.95 118.68 122.11 2jla s LEU 403 Ca 0.18 2.41 -0.29 0.00 -1.03 0.00 0.00 54.13 55.40 2jla s LEU 403 Cb -0.15 -3.87 -0.10 0.00 0.03 0.00 0.00 46.19 42.10 2jla s LEU 403 CO -0.06 -0.55 1.44 -2.84 0.23 0.00 0.00 176.35 174.57 2jla s PRO 404 N -2.03 4.24 0.27 1.29 0.02 -1.26 -4.04 135.00 133.50 2jla s PRO 404 Ca 0.53 2.36 -0.30 0.00 0.02 0.00 0.00 61.00 63.61 2jla s PRO 404 Cb -0.33 -3.07 -0.13 0.00 0.02 0.00 0.00 34.50 30.99 2jla s PRO 404 CO 0.42 -0.41 1.25 0.00 -0.33 0.00 0.00 177.00 177.93 2jla n ALA 405 N 1.71 0.65 -0.86 -1.55 0.00 -1.26 -2.31 120.51 116.89 2jla n ALA 405 Ca 0.05 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2jla n ALA 405 Cb 0.40 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 1.51 0.69 3.60 0.00 0.00 -0.29 -4.89 105.19 105.80 2jla n GLY 406 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.04 3.09 -0.08 1.61 5.04 -0.98 -4.76 117.35 118.23 2jla s TYR 407 Ca 0.00 0.77 -0.35 0.00 -2.44 0.00 0.00 57.07 55.05 2jla s TYR 407 Cb 0.00 -3.61 -0.13 0.00 0.35 0.00 0.00 41.96 38.58 2jla s TYR 407 CO 0.00 -0.80 1.81 -2.30 -1.34 0.00 0.00 175.55 172.92 2jla n PRO 408 N 6.72 2.01 -4.84 4.97 -0.02 -1.26 -4.83 135.00 137.74 2jla n PRO 408 Ca 0.07 0.73 -0.33 0.00 -2.02 0.00 0.00 63.50 61.95 2jla n PRO 408 Cb 0.48 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.28 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 3.53 3.02 0.30 -1.45 1.01 -1.26 -1.74 120.40 123.80 2jla s VAL 409 Ca 0.92 -0.70 0.11 0.00 0.00 0.00 0.00 61.98 62.30 2jla s VAL 409 Cb -0.75 -2.23 -0.06 0.00 0.00 0.00 0.00 36.38 33.35 2jla s VAL 409 CO 0.52 0.55 -0.15 -0.31 0.00 0.00 0.00 175.10 175.71 2jla s TYR 410 N -0.08 2.28 0.20 5.22 1.51 0.11 -4.97 117.35 121.62 2jla s TYR 410 Ca -0.02 -0.43 -0.23 0.00 -1.01 0.00 0.00 57.07 55.38 2jla s TYR 410 Cb -0.14 -1.13 0.05 0.00 -0.11 0.00 0.00 41.96 40.63 2jla s TYR 410 CO 0.04 0.63 0.88 -1.54 -1.11 0.00 0.00 175.55 174.44 2jla s SER 411 N -3.53 -0.20 -0.60 2.29 1.04 -1.26 -0.82 113.70 110.62 2jla s SER 411 Ca 0.30 -0.49 0.05 0.00 0.48 0.00 0.00 55.95 56.30 2jla s SER 411 Cb -0.02 0.57 0.20 0.00 0.10 0.00 0.00 66.02 66.88 2jla s SER 411 CO 0.15 -1.06 0.54 0.59 0.98 0.00 0.00 173.24 174.44 2jla n ASN 412 N -0.49 2.30 -0.27 7.02 3.02 -1.26 -4.93 115.26 120.65 2jla n ASN 412 Ca -0.05 -3.07 0.03 0.00 -0.03 0.00 0.00 54.58 51.45 2jla n ASN 412 Cb 0.60 -0.68 0.05 0.00 -0.61 0.00 0.00 39.78 39.13 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 1.73 1.10 0.01 3.52 3.00 -1.26 -3.24 116.66 121.51 2jla n ARG 413 Ca 0.25 -1.23 -0.00 0.00 -0.00 0.00 0.00 57.85 56.86 2jla n ARG 413 Cb 0.41 -1.12 -0.00 0.00 0.00 0.00 0.00 32.46 31.75 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 1.10 -0.02 0.16 5.14 0.00 -1.91 -3.36 103.07 104.17 2jla h GLY 414 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2jla h GLY 414 CO 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 176.54 176.24 2jla n ALA 415 N -2.02 3.14 -3.89 3.60 0.00 -1.26 -4.98 120.51 115.09 2jla n ALA 415 Ca -0.00 -0.42 -0.28 0.00 0.00 0.00 0.00 53.44 52.74 2jla n ALA 415 Cb 0.01 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 18.37 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 -0.63 -2.93 -4.84 0.00 7.64 -1.20 -4.96 113.62 106.70 2jla n SER 416 Ca 0.12 -0.85 -0.32 0.00 1.01 0.00 0.00 58.87 58.83 2jla n SER 416 Cb 0.36 -3.69 -0.01 0.00 -1.01 0.00 0.00 64.21 59.86 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 -3.77 1.94 -0.09 0.23 0.00 -1.25 -4.86 107.32 99.52 2jla s GLY 417 Ca 0.39 0.14 0.12 0.00 0.00 0.00 0.00 44.72 45.37 2jla s GLY 417 CO 0.84 0.43 1.14 0.29 0.00 0.00 0.00 173.10 175.80 2jla n ILE 418 N -2.08 1.61 0.83 0.90 -5.35 -1.26 -4.70 119.36 109.30 2jla n ILE 418 Ca 0.07 -1.76 0.11 0.00 -0.27 0.00 0.00 62.75 60.90 2jla n ILE 418 Cb 0.54 0.03 0.06 0.00 -1.74 0.00 0.00 39.64 38.53 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 -0.94 0.68 -2.75 7.28 5.75 -1.26 -4.53 116.55 120.78 2jla n ASP 419 Ca 0.11 -0.44 -0.02 0.00 -0.01 0.00 0.00 54.79 54.43 2jla n ASP 419 Cb 0.53 0.67 0.08 0.00 -1.03 0.00 0.00 41.12 41.38 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 1.45 1.79 0.10 6.12 0.00 -1.26 -4.40 105.19 108.99 2jla n GLY 420 Ca 0.04 -0.72 -0.06 0.00 0.00 0.00 0.00 46.02 45.27 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 2.10 0.11 0.00 0.99 3.38 -1.88 -2.37 115.31 117.64 2jla h LEU 421 Ca -0.25 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 2jla h LEU 421 Cb 1.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2jla h LEU 421 CO 0.08 0.92 -0.00 -0.07 0.09 0.00 0.00 178.44 179.46 2jla h LEU 422 N 0.04 -0.00 -1.14 1.67 3.38 -1.90 -2.35 115.31 115.01 2jla h LEU 422 Ca -0.03 -0.88 0.05 0.00 0.09 0.00 0.00 57.88 57.12 2jla h LEU 422 Cb 1.51 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.21 2jla h LEU 422 CO 0.12 0.93 0.59 0.77 0.09 0.00 0.00 178.44 180.94 2jla h SER 423 N -0.98 0.94 -0.53 -0.43 4.64 -1.84 0.32 113.55 115.66 2jla h SER 423 Ca -0.00 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2jla h SER 423 Cb 0.88 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 2jla h SER 423 CO 0.00 0.62 0.28 0.74 -0.87 0.00 0.00 176.83 177.60 2jla h THR 424 N 1.07 1.19 -0.73 2.95 2.02 -1.47 -1.95 112.91 115.99 2jla h THR 424 Ca 0.38 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 2jla h THR 424 Cb 0.12 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 2jla h THR 424 CO -0.13 0.20 0.33 0.00 0.37 0.00 0.00 175.52 176.29 2jla h ALA 425 N 1.11 1.21 -0.63 6.16 0.00 -0.66 0.21 119.26 126.67 2jla h ALA 425 Ca 0.18 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2jla h ALA 425 Cb 0.07 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 2jla h ALA 425 CO -0.03 0.59 0.34 0.00 0.00 0.00 0.00 179.25 180.15 2jla h ALA 426 N 1.32 0.84 -0.19 0.00 0.00 -0.01 -1.89 119.26 119.34 2jla h ALA 426 Ca 0.25 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 2jla h ALA 426 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2jla h ALA 426 CO -0.03 -0.00 -0.02 0.78 0.00 0.00 0.00 179.25 179.98 2jla h GLY 427 N 0.62 0.38 0.17 0.00 0.00 -0.56 -2.05 103.07 101.64 2jla h GLY 427 Ca 0.29 -0.29 0.15 0.00 0.00 0.00 0.00 47.33 47.47 2jla h GLY 427 CO -0.19 0.27 0.36 -2.08 0.00 0.00 0.00 176.54 174.90 2jla h VAL 428 N 0.09 0.68 -0.00 4.60 2.07 -0.33 -0.99 116.25 122.37 2jla h VAL 428 Ca 0.05 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 2jla h VAL 428 Cb 0.43 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2jla h VAL 428 CO 0.01 0.09 -0.20 0.06 0.02 0.00 0.00 177.57 177.55 2jla h GLN 429 N 0.52 0.15 -1.03 1.57 -0.00 -1.32 -3.25 115.11 111.75 2jla h GLN 429 Ca 0.44 -0.15 0.30 0.00 -0.00 0.00 0.00 58.65 59.24 2jla h GLN 429 Cb 0.65 0.04 -0.14 0.00 -0.00 0.00 0.00 27.48 28.03 2jla h GLN 429 CO -0.39 0.89 0.60 0.00 -0.00 0.00 0.00 178.83 179.93 2jla h ARG 430 N -0.53 0.38 -0.24 0.06 3.08 -1.08 0.94 114.38 116.99 2jla h ARG 430 Ca -0.02 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 2jla h ARG 430 Cb 0.96 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 2jla h ARG 430 CO 0.04 0.25 -0.16 0.00 -1.07 0.00 0.00 179.97 179.03 2jla h ALA 431 N 1.78 0.35 0.00 0.04 0.00 -1.24 -3.32 119.26 116.86 2jla h ALA 431 Ca 0.70 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 2jla h ALA 431 Cb 1.58 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 2jla h ALA 431 CO -0.53 0.25 -1.61 -1.13 0.00 0.00 0.00 179.25 176.23 2jla n SER 432 N -4.44 0.49 0.00 0.00 3.41 -0.98 -4.85 113.62 107.25 2jla n SER 432 Ca -0.04 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 2jla n SER 432 Cb 0.38 0.89 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 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 1.35 0.35 3.85 5.00 0.00 0.29 -5.00 105.19 111.03 2jla n GLY 433 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.80 3.94 0.32 1.61 1.02 -1.25 -4.54 119.74 120.04 2jla s LYS 434 Ca 0.00 0.78 -0.29 0.00 0.02 0.00 0.00 55.97 56.48 2jla s LYS 434 Cb 0.00 -2.26 -0.12 0.00 -0.52 0.00 0.00 37.83 34.93 2jla s LYS 434 CO 0.00 -0.11 1.45 -2.30 -0.92 0.00 0.00 175.35 173.47 2jla n PRO 435 N -1.22 2.43 -4.12 -1.68 -0.02 -1.26 -4.76 135.00 124.37 2jla n PRO 435 Ca 0.05 0.86 -0.19 0.00 -2.02 0.00 0.00 63.50 62.20 2jla n PRO 435 Cb 0.54 -2.55 -0.16 0.00 -0.02 0.00 0.00 33.50 31.31 2jla n PRO 435 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2jla s THR 436 N -0.64 0.44 -0.24 3.45 2.01 -0.66 -1.57 115.64 118.43 2jla s THR 436 Ca 0.59 -0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.45 2jla s THR 436 Cb -0.53 -0.46 -0.00 0.00 0.01 0.00 0.00 72.50 71.51 2jla s THR 436 CO 0.57 0.19 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.45 2jla s LEU 437 N 0.75 3.14 -0.17 4.42 2.96 -0.06 -0.73 118.68 128.98 2jla s LEU 437 Ca -0.09 -0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 53.29 2jla s LEU 437 Cb -0.12 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.81 2jla s LEU 437 CO -0.00 -0.07 -0.14 0.00 -1.32 0.00 0.00 176.35 174.82 2jla s ALA 438 N 1.46 2.52 -0.09 5.97 0.00 0.15 -0.35 121.76 131.42 2jla s ALA 438 Ca 0.04 -1.11 0.04 0.00 0.00 0.00 0.00 51.96 50.93 2jla s ALA 438 Cb -0.15 -1.31 -0.00 0.00 0.00 0.00 0.00 23.12 21.66 2jla s ALA 438 CO -0.02 -0.19 -0.23 -1.50 0.00 0.00 0.00 175.76 173.82 2jla s ILE 439 N 1.06 1.99 0.03 0.00 2.07 -1.10 0.31 121.20 125.56 2jla s ILE 439 Ca -0.01 -0.98 -0.13 0.00 -1.41 0.00 0.00 60.65 58.12 2jla s ILE 439 Cb -0.15 -1.72 0.02 0.00 0.13 0.00 0.00 42.46 40.74 2jla s ILE 439 CO -0.04 0.55 0.28 0.54 -1.91 0.00 0.00 174.94 174.35 2jla s VAL 440 N 0.32 0.08 0.90 4.00 0.11 0.19 -1.60 120.40 124.39 2jla s VAL 440 Ca -0.17 -0.68 -0.12 0.00 -2.93 0.00 0.00 61.98 58.08 2jla s VAL 440 Cb -0.17 -0.85 0.18 0.00 -1.53 0.00 0.00 36.38 34.01 2jla s VAL 440 CO 0.08 -0.37 1.23 -0.83 -3.33 0.00 0.00 175.10 171.88 2jla s GLY 441 N -1.88 1.77 -0.06 6.54 0.00 -1.26 -1.05 107.32 111.38 2jla s GLY 441 Ca -0.07 -1.33 -0.25 0.00 0.00 0.00 0.00 44.72 43.07 2jla s GLY 441 CO -0.02 -0.62 1.02 1.29 0.00 0.00 0.00 173.10 174.78 2jla h ASP 442 N -1.34 0.20 -0.87 1.64 2.03 -1.83 -1.13 116.42 115.12 2jla h ASP 442 Ca -0.42 -0.78 0.02 0.00 -0.73 0.00 0.00 57.03 55.12 2jla h ASP 442 Cb 1.24 -0.06 -0.05 0.00 -0.83 0.00 0.00 39.33 39.64 2jla h ASP 442 CO 0.39 0.96 0.58 -0.07 -1.03 0.00 0.00 179.24 180.07 2jla h LEU 443 N -0.53 0.97 0.25 0.15 3.38 -1.90 -0.95 115.31 116.69 2jla h LEU 443 Ca -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2jla h LEU 443 Cb 0.99 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2jla h LEU 443 CO 0.05 0.69 -0.25 0.28 0.09 0.00 0.00 178.44 179.30 2jla h SER 444 N 1.14 -0.66 -0.95 -0.43 0.02 -1.81 -0.32 113.55 110.54 2jla h SER 444 Ca 0.33 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.41 2jla h SER 444 Cb -0.07 0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 2jla h SER 444 CO -0.08 -0.36 0.62 0.00 -1.14 0.00 0.00 176.83 175.86 2jla h ALA 445 N 0.13 1.48 -0.60 3.77 0.00 -0.91 -2.28 119.26 120.85 2jla h ALA 445 Ca -0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2jla h ALA 445 Cb 0.49 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2jla h ALA 445 CO -0.05 0.37 0.06 -0.07 0.00 0.00 0.00 179.25 179.56 2jla h LEU 446 N 1.08 0.98 0.35 0.00 3.38 -0.76 -2.10 115.31 118.26 2jla h LEU 446 Ca 0.42 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2jla h LEU 446 Cb 0.22 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2jla h LEU 446 CO -0.17 1.02 -0.17 0.22 0.09 0.00 0.00 178.44 179.43 2jla h TYR 447 N 0.92 -0.44 -1.15 1.13 -0.00 -0.49 -2.93 116.97 113.99 2jla h TYR 447 Ca 0.18 -0.01 -0.67 0.00 -0.00 0.00 0.00 58.73 58.22 2jla h TYR 447 Cb 0.48 0.15 -0.28 0.00 -0.00 0.00 0.00 36.73 37.08 2jla h TYR 447 CO 0.04 -0.27 0.88 -3.47 -0.00 0.00 0.00 178.16 175.33 2jla n ASP 448 N -5.29 7.59 -0.15 -2.11 2.03 -1.02 -4.74 116.55 112.85 2jla n ASP 448 Ca -0.10 -3.75 -0.10 0.00 0.52 0.00 0.00 54.79 51.36 2jla n ASP 448 Cb 0.21 -1.01 -0.01 0.00 -0.72 0.00 0.00 41.12 39.60 2jla n ASP 448 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2jla h LEU 449 N 2.25 0.75 0.00 -2.67 5.85 -1.18 -2.08 115.31 118.23 2jla h LEU 449 Ca 0.58 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 59.00 2jla h LEU 449 Cb 0.67 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2jla h LEU 449 CO 1.51 0.87 0.00 -0.46 -0.34 0.00 0.00 178.44 180.02 2jla n ASN 450 N -4.41 0.00 0.19 1.25 0.23 -1.26 -1.98 115.26 109.27 2jla n ASN 450 Ca -0.00 -0.39 0.14 0.00 -0.53 0.00 0.00 54.58 53.80 2jla n ASN 450 Cb 0.29 -0.06 0.56 0.00 -2.08 0.00 0.00 39.78 38.49 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 2.95 1.00 0.00 -2.53 0.00 -1.75 -2.66 119.26 116.27 2jla h ALA 451 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jla h ALA 451 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jla h ALA 451 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 179.25 180.62 2jla h LEU 452 N 0.00 0.00 -0.95 0.00 -0.00 -1.58 0.72 115.31 113.50 2jla h LEU 452 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.98 2jla h LEU 452 Cb 0.44 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.03 2jla h LEU 452 CO 0.00 0.00 0.58 0.00 -0.00 0.00 0.00 178.44 179.02 2jla h ALA 453 N 2.26 1.38 -0.36 0.17 0.00 -1.72 -0.75 119.26 120.25 2jla h ALA 453 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2jla h ALA 453 Cb 0.40 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2jla h ALA 453 CO 0.00 0.23 -0.21 -0.07 0.00 0.00 0.00 179.25 179.19 2jla h LEU 454 N 0.97 0.71 0.00 0.00 3.38 -1.05 -3.03 115.31 116.28 2jla h LEU 454 Ca 0.45 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2jla h LEU 454 Cb 0.39 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2jla h LEU 454 CO -0.24 0.91 0.00 0.18 0.09 0.00 0.00 178.44 179.38 2jla n LEU 455 N -4.12 0.00 0.19 1.67 4.77 -0.30 -1.67 117.00 117.55 2jla n LEU 455 Ca 0.00 0.03 0.08 0.00 -0.03 0.00 0.00 56.01 56.10 2jla n LEU 455 Cb 0.42 -0.03 0.20 0.00 -2.33 0.00 0.00 43.42 41.68 2jla n LEU 455 CO 0.44 -0.02 0.69 0.03 -1.33 0.00 0.00 177.39 177.20 2jla h ARG 456 N 0.00 0.00 -4.64 3.23 3.08 -1.43 -3.32 114.38 111.30 2jla h ARG 456 Ca 0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.36 2jla h ARG 456 Cb 0.01 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 29.75 2jla h ARG 456 CO 0.00 0.23 -0.61 -1.14 -1.07 0.00 0.00 179.97 177.38 2jla s GLN 457 N -3.22 2.39 -0.11 0.04 0.74 -0.67 -4.87 119.66 113.95 2jla s GLN 457 Ca 0.04 -1.41 -0.09 0.00 0.05 0.00 0.00 55.36 53.95 2jla s GLN 457 Cb 0.07 -3.42 0.03 0.00 1.10 0.00 0.00 33.01 30.79 2jla s GLN 457 CO 0.68 -0.79 0.29 0.08 -0.55 0.00 0.00 175.29 175.00 2jla s VAL 458 N 1.28 -0.01 -2.58 1.34 1.01 -1.26 -4.99 120.40 115.19 2jla s VAL 458 Ca 0.00 0.03 0.23 0.00 0.00 0.00 0.00 61.98 62.24 2jla s VAL 458 Cb -0.21 -0.41 0.38 0.00 0.00 0.00 0.00 36.38 36.14 2jla s VAL 458 CO -0.01 0.01 1.40 -1.54 0.00 0.00 0.00 175.10 174.97 2jla n SER 459 N 3.19 3.09 -3.48 3.32 3.41 -1.26 -4.57 113.62 117.32 2jla n SER 459 Ca -0.15 -1.95 -0.13 0.00 -0.26 0.00 0.00 58.87 56.38 2jla n SER 459 Cb 0.57 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.66 -1.71 0.24 7.33 0.00 -1.26 -4.92 121.76 119.77 2jla s ALA 460 Ca 0.36 0.93 -0.31 0.00 0.00 0.00 0.00 51.96 52.94 2jla s ALA 460 Cb 0.22 0.40 -0.14 0.00 0.00 0.00 0.00 23.12 23.59 2jla s ALA 460 CO 0.31 -0.59 1.20 -0.35 0.00 0.00 0.00 175.76 176.33 2jla n PRO 461 N 0.16 1.54 -3.99 0.00 -0.04 -1.22 -4.14 135.00 127.31 2jla n PRO 461 Ca -0.16 0.55 -0.30 0.00 -0.04 0.00 0.00 63.50 63.55 2jla n PRO 461 Cb 0.61 -2.06 -0.16 0.00 -0.04 0.00 0.00 33.50 31.85 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 0.30 1.73 -0.34 1.53 0.20 -0.99 -1.65 118.68 119.46 2jla s LEU 462 Ca 0.66 -0.55 -0.16 0.00 0.69 0.00 0.00 54.13 54.77 2jla s LEU 462 Cb -0.73 -1.13 -0.01 0.00 -0.43 0.00 0.00 46.19 43.89 2jla s LEU 462 CO 0.55 -0.09 0.43 -0.69 -0.29 0.00 0.00 176.35 176.26 2jla s VAL 463 N 1.51 5.10 -0.44 1.68 1.01 0.09 -0.69 120.40 128.66 2jla s VAL 463 Ca 0.04 0.24 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 2jla s VAL 463 Cb -0.13 -3.87 0.03 0.00 0.00 0.00 0.00 36.38 32.40 2jla s VAL 463 CO -0.10 -0.12 0.42 -0.22 0.00 0.00 0.00 175.10 175.08 2jla s LEU 464 N 2.19 5.06 -0.35 3.92 2.96 -0.22 0.31 118.68 132.54 2jla s LEU 464 Ca 0.15 -0.86 -0.18 0.00 -0.22 0.00 0.00 54.13 53.02 2jla s LEU 464 Cb -0.16 -2.31 -0.00 0.00 0.50 0.00 0.00 46.19 44.22 2jla s LEU 464 CO 0.12 -0.60 0.51 -0.63 -1.32 0.00 0.00 176.35 174.43 2jla s ILE 465 N 2.01 5.02 -0.48 6.68 1.01 0.15 -0.37 121.20 135.22 2jla s ILE 465 Ca 0.10 0.32 -0.18 0.00 0.00 0.00 0.00 60.65 60.89 2jla s ILE 465 Cb -0.19 -3.96 0.06 0.00 0.01 0.00 0.00 42.46 38.38 2jla s ILE 465 CO 0.11 -0.21 0.53 -0.69 0.00 0.00 0.00 174.94 174.68 2jla s VAL 466 N 2.38 5.02 -0.55 2.92 1.01 -0.44 -0.64 120.40 130.09 2jla s VAL 466 Ca 0.18 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.24 2jla s VAL 466 Cb -0.15 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.03 2jla s VAL 466 CO 0.13 -0.68 1.36 -0.69 0.00 0.00 0.00 175.10 175.22 2jla s VAL 467 N 2.26 3.86 -0.69 2.92 1.01 -0.21 -4.29 120.40 125.25 2jla s VAL 467 Ca 0.11 0.76 -0.11 0.00 0.00 0.00 0.00 61.98 62.75 2jla s VAL 467 Cb -0.20 -4.48 0.18 0.00 0.00 0.00 0.00 36.38 31.88 2jla s VAL 467 CO 0.11 -1.15 0.59 0.21 0.00 0.00 0.00 175.10 174.85 2jla s ASN 468 N 4.02 6.17 -0.24 3.32 2.47 -1.26 -2.51 114.94 126.90 2jla s ASN 468 Ca 0.51 -2.50 0.13 0.00 0.42 0.00 0.00 52.86 51.43 2jla s ASN 468 Cb -0.10 -2.10 0.59 0.00 -1.45 0.00 0.00 41.25 38.20 2jla s ASN 468 CO 0.26 -0.58 1.54 -0.46 -3.72 0.00 0.00 177.10 174.14 2jla n ASN 469 N 4.16 3.93 -3.43 -4.21 0.23 -1.26 -2.04 115.26 112.64 2jla n ASN 469 Ca 0.05 -3.22 -0.17 0.00 -0.53 0.00 0.00 54.58 50.71 2jla n ASN 469 Cb 0.43 -0.62 0.02 0.00 -2.08 0.00 0.00 39.78 37.53 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 -0.50 -6.27 0.00 0.53 5.15 -1.26 -3.99 115.26 108.91 2jla n ASN 470 Ca 0.29 -0.64 0.00 0.00 -0.60 0.00 0.00 54.58 53.63 2jla n ASN 470 Cb 1.06 -3.96 0.00 0.00 -0.53 0.00 0.00 39.78 36.35 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 -1.64 3.07 3.57 8.20 0.00 -1.26 -4.27 105.19 112.86 2jla n GLY 471 Ca -0.10 -2.00 -0.31 0.00 0.00 0.00 0.00 46.02 43.60 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 0.51 0.00 -0.02 0.00 -0.06 -4.78 107.32 102.97 2jla s GLY 472 Ca 0.00 -1.93 0.27 0.00 0.00 0.00 0.00 44.72 43.07 2jla s GLY 472 CO 0.00 3.28 1.95 -1.06 0.00 0.00 0.00 173.10 177.28 2jla n GLN 473 N 8.69 0.50 0.15 2.90 1.13 -1.26 -2.36 117.38 127.13 2jla n GLN 473 Ca 0.41 0.02 0.18 0.00 -1.94 0.00 0.00 57.00 55.67 2jla n GLN 473 Cb 0.48 -1.50 0.77 0.00 0.11 0.00 0.00 30.24 30.10 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 0.54 0.00 5.09 2.10 -1.96 -0.41 117.51 122.87 2jla h ILE 474 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2jla h ILE 474 Cb 0.20 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 36.72 2jla h ILE 474 CO 0.00 0.00 -0.03 0.49 -1.08 0.00 0.00 178.15 177.53 2jla n PHE 475 N -3.95 0.07 0.06 2.19 3.01 -0.99 -0.62 117.46 117.22 2jla n PHE 475 Ca 0.04 0.02 -0.03 0.00 1.01 0.00 0.00 57.45 58.49 2jla n PHE 475 Cb 0.41 -0.52 -0.07 0.00 -0.01 0.00 0.00 39.48 39.29 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 0.00 -0.18 4.37 0.02 -1.30 -3.34 113.55 113.12 2jla h SER 476 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2jla h SER 476 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2jla h SER 476 CO 0.00 0.74 -0.53 0.25 -1.14 0.00 0.00 176.83 176.15 2jla h LEU 477 N 0.00 0.78 -9.67 5.07 5.85 -1.02 -3.45 115.31 112.87 2jla h LEU 477 Ca -0.11 -0.58 -0.50 0.00 0.84 0.00 0.00 57.88 57.52 2jla h LEU 477 Cb 1.65 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 2jla h LEU 477 CO 0.08 1.23 0.38 -0.76 -0.34 0.00 0.00 178.44 179.03 2jla s LEU 478 N -8.65 4.57 -0.25 2.25 1.43 0.21 -4.90 118.68 113.33 2jla s LEU 478 Ca -0.12 1.93 -0.02 0.00 -1.03 0.00 0.00 54.13 54.90 2jla s LEU 478 Cb 0.08 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 2jla s LEU 478 CO 0.86 0.01 1.33 -0.81 0.23 0.00 0.00 176.35 177.96 2jla n PRO 479 N 2.06 0.67 -2.13 1.29 -0.04 -1.26 -4.82 135.00 130.77 2jla n PRO 479 Ca 0.00 -0.70 -0.30 0.00 -0.04 0.00 0.00 63.50 62.47 2jla n PRO 479 Cb 0.48 -2.04 0.01 0.00 -0.04 0.00 0.00 33.50 31.91 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 4.03 4.76 0.31 0.52 -4.23 -1.26 -5.03 115.64 114.74 2jla s THR 480 Ca 0.14 0.65 -0.24 0.00 -1.18 0.00 0.00 61.69 61.05 2jla s THR 480 Cb 0.04 -3.86 -0.10 0.00 1.34 0.00 0.00 72.50 69.92 2jla s THR 480 CO -0.01 -1.04 0.89 -2.16 -0.54 0.00 0.00 174.62 171.76 2jla s PRO 481 N -5.04 4.47 0.03 3.99 0.04 -1.26 -4.97 135.00 132.26 2jla s PRO 481 Ca 0.52 1.20 -0.08 0.00 0.04 0.00 0.00 61.00 62.68 2jla s PRO 481 Cb -0.11 -2.76 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 2jla s PRO 481 CO 0.51 0.28 1.13 0.37 0.04 0.00 0.00 177.00 179.33 2jla h GLN 482 N 3.10 -0.14 0.00 4.56 5.75 -2.00 -2.50 115.11 123.88 2jla h GLN 482 Ca -0.47 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 2jla h GLN 482 Cb 1.19 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.77 2jla h GLN 482 CO 0.65 -0.09 0.00 0.66 -2.65 0.00 0.00 178.83 177.39 2jla h SER 483 N -0.14 0.00 -0.27 -0.69 4.64 -2.06 -2.27 113.55 112.76 2jla h SER 483 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2jla h SER 483 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2jla h SER 483 CO -0.10 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.02 2jla n GLU 484 N -2.92 2.82 -0.05 4.77 0.00 -1.21 -4.71 120.64 119.34 2jla n GLU 484 Ca 0.01 -2.41 -0.15 0.00 0.00 0.00 0.00 57.16 54.60 2jla n GLU 484 Cb 0.30 -1.53 -0.06 0.00 0.00 0.00 0.00 31.44 30.14 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 1.69 0.68 -0.31 3.44 2.43 -0.93 -2.17 114.38 119.21 2jla h ARG 485 Ca 0.00 -0.48 -0.18 0.00 -0.81 0.00 0.00 59.98 58.51 2jla h ARG 485 Cb 1.06 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2jla h ARG 485 CO 0.10 1.10 -0.50 1.49 -1.51 0.00 0.00 179.97 180.66 2jla h GLU 486 N 0.38 0.86 0.08 0.20 4.81 -1.84 0.19 114.58 119.26 2jla h GLU 486 Ca -0.01 -0.52 -0.29 0.00 -0.13 0.00 0.00 59.36 58.41 2jla h GLU 486 Cb 1.13 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2jla h GLU 486 CO 0.11 1.15 -1.54 -0.09 -0.73 0.00 0.00 179.01 177.92 2jla h ARG 487 N 0.67 0.17 -0.20 1.92 2.43 -1.88 -3.34 114.38 114.15 2jla h ARG 487 Ca 0.03 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 2jla h ARG 487 Cb 1.10 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2jla h ARG 487 CO 0.11 0.98 0.00 1.19 -1.51 0.00 0.00 179.97 180.74 2jla n PHE 488 N -3.36 0.26 0.11 2.20 3.01 -0.82 -4.81 117.46 114.06 2jla n PHE 488 Ca -0.16 -0.27 0.00 0.00 1.01 0.00 0.00 57.45 58.04 2jla n PHE 488 Cb 1.03 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.49 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 0.60 -1.96 0.00 1.38 4.01 -1.02 -5.01 117.16 115.17 2jla n TYR 489 Ca 0.10 0.36 0.00 0.00 -0.16 0.00 0.00 57.90 58.20 2jla n TYR 489 Cb 0.37 0.66 0.00 0.00 -0.31 0.00 0.00 39.34 40.06 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 -3.21 0.00 -3.92 7.72 4.77 0.65 -4.55 117.00 118.46 2jla n LEU 490 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 2jla n LEU 490 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 2jla n LEU 490 CO 0.00 0.00 -0.38 -2.16 -1.33 0.00 0.00 177.39 173.52 2jla s PRO 492 N 0.00 0.22 0.00 3.23 0.04 -1.26 -0.88 135.00 136.35 2jla s PRO 492 Ca 0.00 -0.14 0.15 0.00 0.04 0.00 0.00 61.00 61.05 2jla s PRO 492 Cb 0.00 -0.19 -0.04 0.00 0.04 0.00 0.00 34.50 34.31 2jla s PRO 492 CO 0.00 0.05 0.77 1.04 0.04 0.00 0.00 177.00 178.90 2jla n GLN 493 N 2.91 1.86 -3.70 4.56 1.13 -1.26 -4.94 117.38 117.94 2jla n GLN 493 Ca -0.13 -0.61 -0.25 0.00 -1.94 0.00 0.00 57.00 54.07 2jla n GLN 493 Cb 0.59 -1.23 0.03 0.00 0.11 0.00 0.00 30.24 29.74 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 -0.39 -2.89 -4.25 1.08 3.02 -1.26 -4.97 115.26 105.59 2jla n ASN 494 Ca 0.05 -0.91 -0.14 0.00 -0.03 0.00 0.00 54.58 53.55 2jla n ASN 494 Cb 0.30 -3.74 -0.10 0.00 -0.61 0.00 0.00 39.78 35.62 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 -3.63 1.09 0.25 2.41 0.11 -1.26 -5.17 120.40 114.20 2jla s VAL 495 Ca 0.20 -2.04 0.02 0.00 -2.93 0.00 0.00 61.98 57.22 2jla s VAL 495 Cb -0.06 -1.92 -0.05 0.00 -1.53 0.00 0.00 36.38 32.82 2jla s VAL 495 CO 0.84 -0.69 0.08 -1.00 -3.33 0.00 0.00 175.10 171.00 2jla s HIS 496 N -3.38 1.52 -0.48 1.54 3.76 -1.26 -5.01 115.29 111.98 2jla s HIS 496 Ca 0.18 -1.14 0.05 0.00 -0.15 0.00 0.00 55.06 54.01 2jla s HIS 496 Cb 0.03 -0.89 -0.01 0.00 1.11 0.00 0.00 32.58 32.82 2jla s HIS 496 CO 0.01 -0.29 0.45 1.19 -0.85 0.00 0.00 174.74 175.25 2jla n PHE 497 N -0.45 0.00 -0.27 1.40 3.72 -1.26 -4.59 117.46 116.01 2jla n PHE 497 Ca -0.01 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.45 2jla n PHE 497 Cb 0.66 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.40 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 0.56 0.49 -0.14 -1.08 4.81 -1.98 -0.44 114.58 116.80 2jla h GLU 498 Ca 0.00 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 2jla h GLU 498 Cb 0.18 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2jla h GLU 498 CO 0.00 0.32 -0.53 0.45 -0.73 0.00 0.00 179.01 178.53 2jla h HIS 499 N 0.50 0.49 -0.23 0.92 3.86 -1.99 -1.19 115.15 117.51 2jla h HIS 499 Ca 0.43 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.45 2jla h HIS 499 Cb 0.65 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 2jla h HIS 499 CO -0.14 0.84 0.04 0.00 0.86 0.00 0.00 177.93 179.53 2jla h ALA 500 N 1.13 0.31 -0.93 2.45 0.00 -1.59 -2.82 119.26 117.81 2jla h ALA 500 Ca 0.01 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2jla h ALA 500 Cb 1.03 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 2jla h ALA 500 CO 0.09 -0.02 0.60 0.00 0.00 0.00 0.00 179.25 179.91 2jla h ALA 501 N 0.86 1.25 0.00 0.00 0.00 -1.04 -3.11 119.26 117.22 2jla h ALA 501 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2jla h ALA 501 Cb 0.31 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jla h ALA 501 CO 0.00 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.68 2jla n ALA 502 N -2.36 1.55 0.00 0.00 0.00 -0.46 -0.31 120.51 118.94 2jla n ALA 502 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2jla n ALA 502 Cb 0.12 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 1.06 0.00 -4.10 0.00 3.72 -1.18 -4.64 117.46 112.32 2jla n PHE 504 Ca 0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 2jla n PHE 504 Cb 0.02 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.51 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 -2.24 -4.33 -1.08 1.02 -0.57 -4.86 120.64 108.58 2jla n GLU 505 Ca 0.00 0.27 -0.34 0.00 -0.02 0.00 0.00 57.16 57.07 2jla n GLU 505 Cb 0.00 -4.10 -0.09 0.00 -0.02 0.00 0.00 31.44 27.23 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 -7.14 3.57 0.37 -4.62 1.43 0.58 -5.07 118.68 107.79 2jla s LEU 506 Ca 0.01 0.09 -0.28 0.00 -1.03 0.00 0.00 54.13 52.92 2jla s LEU 506 Cb -0.01 -1.92 -0.11 0.00 0.03 0.00 0.00 46.19 44.18 2jla s LEU 506 CO 0.94 0.34 1.52 -0.54 0.23 0.00 0.00 176.35 178.83 2jla s LYS 507 N -1.19 4.09 -0.01 1.70 1.02 -1.25 -4.42 119.74 119.68 2jla s LYS 507 Ca 0.16 2.60 0.04 0.00 0.02 0.00 0.00 55.97 58.79 2jla s LYS 507 Cb -0.11 -2.97 -0.01 0.00 -0.52 0.00 0.00 37.83 34.22 2jla s LYS 507 CO 0.06 -0.57 -0.14 -0.47 -0.92 0.00 0.00 175.35 173.31 2jla s TYR 508 N -0.95 1.25 -0.02 3.18 5.04 -1.26 -0.27 117.35 124.32 2jla s TYR 508 Ca 0.55 -0.24 0.01 0.00 -2.44 0.00 0.00 57.07 54.94 2jla s TYR 508 Cb -0.47 -0.81 0.01 0.00 0.35 0.00 0.00 41.96 41.04 2jla s TYR 508 CO 0.62 -0.03 -0.04 -1.01 -1.34 0.00 0.00 175.55 173.75 2jla s HIS 509 N -0.29 0.45 -0.63 4.97 3.76 0.14 -4.97 115.29 118.72 2jla s HIS 509 Ca 0.05 -0.08 0.06 0.00 -0.15 0.00 0.00 55.06 54.93 2jla s HIS 509 Cb -0.06 -0.36 0.24 0.00 1.11 0.00 0.00 32.58 33.51 2jla s HIS 509 CO -0.00 -0.06 0.72 -2.13 -0.85 0.00 0.00 174.74 172.42 2jla n ARG 510 N 3.39 2.42 -1.72 1.40 0.63 -1.26 -1.27 116.66 120.25 2jla n ARG 510 Ca -0.18 -4.61 -0.42 0.00 -0.92 0.00 0.00 57.85 51.72 2jla n ARG 510 Cb 0.55 -2.22 -0.01 0.00 0.45 0.00 0.00 32.46 31.24 2jla n ARG 510 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2jla n PRO 511 N 0.94 2.34 0.03 -0.14 -0.04 -1.26 -4.94 135.00 131.94 2jla n PRO 511 Ca 0.29 0.82 0.11 0.00 -0.04 0.00 0.00 63.50 64.69 2jla n PRO 511 Cb 0.41 -2.48 -0.06 0.00 -0.04 0.00 0.00 33.50 31.33 2jla n PRO 511 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2jla n GLN 512 N 0.96 0.46 -3.86 0.54 1.13 -1.26 -4.80 117.38 110.55 2jla n GLN 512 Ca 0.05 -0.04 -0.10 0.00 -1.94 0.00 0.00 57.00 54.97 2jla n GLN 512 Cb 0.36 -1.62 0.01 0.00 0.11 0.00 0.00 30.24 29.11 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 -4.38 0.18 0.24 1.08 2.20 -1.26 -5.03 114.94 107.97 2jla s ASN 513 Ca -0.01 -1.20 -0.06 0.00 -0.94 0.00 0.00 52.86 50.65 2jla s ASN 513 Cb 0.13 0.82 0.23 0.00 -2.00 0.00 0.00 41.25 40.43 2jla s ASN 513 CO 0.84 -1.61 1.83 -0.50 -2.94 0.00 0.00 177.10 174.72 2jla h TRP 514 N 2.02 1.17 -0.62 1.54 4.06 -1.96 0.12 115.95 122.29 2jla h TRP 514 Ca -0.31 -0.06 -0.02 0.00 2.06 0.00 0.00 58.89 60.56 2jla h TRP 514 Cb 1.25 -0.36 -0.03 0.00 -1.00 0.00 0.00 29.16 29.02 2jla h TRP 514 CO 1.38 0.85 0.30 0.37 -3.56 0.00 0.00 178.44 177.78 2jla h GLN 515 N 1.16 0.90 -0.33 0.49 5.75 -1.99 -1.24 115.11 119.85 2jla h GLN 515 Ca 0.28 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 2jla h GLN 515 Cb 0.13 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 2jla h GLN 515 CO -0.03 0.72 0.12 0.93 -2.65 0.00 0.00 178.83 177.92 2jla h GLU 516 N 0.86 0.51 -0.80 1.69 5.08 -1.70 -1.94 114.58 118.27 2jla h GLU 516 Ca 0.21 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2jla h GLU 516 Cb 0.12 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2jla h GLU 516 CO -0.03 0.52 0.52 1.25 -1.00 0.00 0.00 179.01 180.27 2jla h LEU 517 N 0.39 0.89 -0.81 1.33 5.85 -0.65 -1.49 115.31 120.82 2jla h LEU 517 Ca 0.11 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2jla h LEU 517 Cb 0.21 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2jla h LEU 517 CO -0.01 0.63 0.48 -0.33 -0.34 0.00 0.00 178.44 178.87 2jla h GLU 518 N 1.05 1.11 -0.38 1.25 5.08 -1.02 -1.79 114.58 119.88 2jla h GLU 518 Ca 0.30 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2jla h GLU 518 Cb -0.07 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.93 2jla h GLU 518 CO -0.08 0.79 0.20 1.15 -1.00 0.00 0.00 179.01 180.06 2jla h THR 519 N 1.11 1.16 -0.65 1.13 2.02 -0.89 -1.51 112.91 115.28 2jla h THR 519 Ca 0.29 -0.42 0.11 0.00 0.77 0.00 0.00 66.41 67.16 2jla h THR 519 Cb -0.02 0.74 -0.08 0.00 -1.74 0.00 0.00 68.15 67.05 2jla h THR 519 CO -0.05 0.16 0.25 0.00 0.37 0.00 0.00 175.52 176.25 2jla h ALA 520 N 1.05 0.86 -0.37 6.16 0.00 -0.87 -1.37 119.26 124.72 2jla h ALA 520 Ca 0.13 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2jla h ALA 520 Cb 0.08 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2jla h ALA 520 CO -0.02 -0.19 0.17 0.74 0.00 0.00 0.00 179.25 179.95 2jla h PHE 521 N 0.42 0.54 -0.95 0.00 0.04 -1.01 -0.84 116.94 115.15 2jla h PHE 521 Ca 0.34 -0.03 0.10 0.00 2.80 0.00 0.00 57.97 61.18 2jla h PHE 521 Cb 0.45 -0.17 -0.07 0.00 2.20 0.00 0.00 35.95 38.36 2jla h PHE 521 CO -0.17 0.47 0.61 0.00 -0.60 0.00 0.00 178.31 178.61 2jla h ALA 522 N 1.02 1.56 -0.01 2.45 0.00 -0.37 -0.88 119.26 123.04 2jla h ALA 522 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2jla h ALA 522 Cb 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2jla h ALA 522 CO -0.01 0.24 -0.02 0.22 0.00 0.00 0.00 179.25 179.68 2jla h ASP 523 N 0.97 0.03 -0.36 0.00 3.58 -1.12 -3.35 116.42 116.16 2jla h ASP 523 Ca 0.44 -0.56 0.04 0.00 0.42 0.00 0.00 57.03 57.38 2jla h ASP 523 Cb 0.40 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 2jla h ASP 523 CO -0.20 0.58 0.13 0.00 -2.88 0.00 0.00 179.24 176.87 2jla h ALA 524 N 0.45 0.42 0.00 -0.78 0.00 0.14 -2.55 119.26 116.94 2jla h ALA 524 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2jla h ALA 524 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2jla h ALA 524 CO 0.00 -0.26 0.00 0.91 0.00 0.00 0.00 179.25 179.91 2jla n TRP 525 N -5.01 0.00 0.62 0.00 5.03 -0.51 -3.29 117.44 114.29 2jla n TRP 525 Ca 0.01 0.00 0.11 0.00 3.03 0.00 0.00 57.50 60.65 2jla n TRP 525 Cb 0.13 -0.46 0.45 0.00 -1.03 0.00 0.00 31.31 30.39 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 -1.46 0.09 -3.76 -0.99 1.74 -0.96 -4.77 116.66 106.54 2jla n ARG 526 Ca 0.04 0.22 -0.13 0.00 -0.77 0.00 0.00 57.85 57.21 2jla n ARG 526 Cb 0.14 -1.64 -0.10 0.00 -1.02 0.00 0.00 32.46 29.85 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 -3.09 0.02 -1.54 0.55 -1.32 -1.21 -5.07 115.64 103.98 2jla s THR 527 Ca 0.09 -0.16 -0.12 0.00 -1.21 0.00 0.00 61.69 60.29 2jla s THR 527 Cb 0.12 -0.51 -0.04 0.00 -1.51 0.00 0.00 72.50 70.56 2jla s THR 527 CO 0.41 -0.09 2.66 -0.81 -2.21 0.00 0.00 174.62 174.59 2jla n PRO 528 N 2.36 3.33 -4.04 7.08 -0.04 -1.26 -3.39 135.00 139.04 2jla n PRO 528 Ca -0.16 -2.33 -0.09 0.00 -0.04 0.00 0.00 63.50 60.88 2jla n PRO 528 Cb 0.57 -2.98 -0.09 0.00 -0.04 0.00 0.00 33.50 30.96 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 2.61 0.14 0.17 0.52 -4.23 -1.26 -4.42 115.64 109.17 2jla s THR 529 Ca 0.61 -1.64 -0.29 0.00 -1.18 0.00 0.00 61.69 59.19 2jla s THR 529 Cb 0.16 -1.70 -0.07 0.00 1.34 0.00 0.00 72.50 72.23 2jla s THR 529 CO -0.07 -0.64 0.91 -0.89 -0.54 0.00 0.00 174.62 173.40 2jla s THR 530 N -3.96 4.31 -0.11 3.99 2.01 -1.25 -2.35 115.64 118.29 2jla s THR 530 Ca 0.14 2.00 0.02 0.00 0.31 0.00 0.00 61.69 64.16 2jla s THR 530 Cb 0.06 -4.29 0.01 0.00 0.01 0.00 0.00 72.50 68.30 2jla s THR 530 CO -0.05 0.43 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.26 2jla s THR 531 N -0.68 1.55 -0.15 -0.82 2.01 0.13 -3.80 115.64 113.88 2jla s THR 531 Ca 0.42 -0.68 -0.20 0.00 0.31 0.00 0.00 61.69 61.55 2jla s THR 531 Cb -0.24 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 2jla s THR 531 CO 0.30 0.45 0.56 -0.69 -0.69 0.00 0.00 174.62 174.55 2jla s VAL 532 N 0.90 5.11 -0.33 3.82 1.01 0.62 -1.06 120.40 130.46 2jla s VAL 532 Ca -0.08 1.09 0.03 0.00 0.00 0.00 0.00 61.98 63.01 2jla s VAL 532 Cb -0.15 -3.89 0.10 0.00 0.00 0.00 0.00 36.38 32.44 2jla s VAL 532 CO -0.00 0.23 0.06 -0.63 0.00 0.00 0.00 175.10 174.75 2jla s ILE 533 N 1.21 2.04 0.14 2.22 1.01 0.50 -0.68 121.20 127.63 2jla s ILE 533 Ca 0.28 -2.18 -0.02 0.00 0.00 0.00 0.00 60.65 58.73 2jla s ILE 533 Cb -0.16 -2.51 0.03 0.00 0.01 0.00 0.00 42.46 39.83 2jla s ILE 533 CO 0.11 -0.61 0.19 1.21 0.00 0.00 0.00 174.94 175.84 2jla n GLU 534 N 4.35 -0.14 -3.21 2.79 2.13 -0.39 -1.33 120.64 124.83 2jla n GLU 534 Ca 0.03 -0.30 0.04 0.00 0.66 0.00 0.00 57.16 57.59 2jla n GLU 534 Cb 0.42 -0.19 -0.02 0.00 0.27 0.00 0.00 31.44 31.92 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 -1.35 -0.43 0.03 6.31 1.01 -1.26 -4.01 120.40 120.70 2jla s VAL 536 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.15 2jla s VAL 536 Cb -0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 2jla s VAL 536 CO 0.07 0.00 -0.20 -0.69 0.00 0.00 0.00 175.10 174.29 2jla s VAL 537 N 2.78 1.58 0.06 2.92 1.01 -0.87 -4.98 120.40 122.91 2jla s VAL 537 Ca 0.01 -1.08 -0.34 0.00 0.00 0.00 0.00 61.98 60.57 2jla s VAL 537 Cb -0.09 -1.36 -0.13 0.00 0.00 0.00 0.00 36.38 34.79 2jla s VAL 537 CO -0.14 0.25 1.70 0.59 0.00 0.00 0.00 175.10 177.50 2jla n ASN 538 N 2.05 3.24 -0.25 3.32 3.02 -1.26 -4.22 115.26 121.16 2jla n ASN 538 Ca -0.17 1.04 0.01 0.00 -0.03 0.00 0.00 54.58 55.43 2jla n ASN 538 Cb 0.53 -1.41 0.05 0.00 -0.61 0.00 0.00 39.78 38.35 2jla n ASN 538 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2jla n ASP 539 N 4.70 -0.35 -0.14 6.41 5.68 -1.26 -2.57 116.55 129.02 2jla n ASP 539 Ca 0.19 1.15 0.07 0.00 -0.50 0.00 0.00 54.79 55.71 2jla n ASP 539 Cb 0.29 -0.30 -0.05 0.00 -1.14 0.00 0.00 41.12 39.92 2jla n ASP 539 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 2jla n THR 540 N -5.02 0.00 0.16 2.12 5.66 -1.26 -4.57 114.28 111.36 2jla n THR 540 Ca 0.08 -0.22 -0.14 0.00 -3.05 0.00 0.00 64.05 60.73 2jla n THR 540 Cb 0.29 1.07 -0.08 0.00 -1.55 0.00 0.00 70.33 70.07 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 0.71 -0.28 -0.76 1.09 3.32 -1.89 -2.00 116.42 116.60 2jla h ASP 541 Ca 0.00 0.01 0.15 0.00 0.02 0.00 0.00 57.03 57.21 2jla h ASP 541 Cb 0.43 0.08 -0.10 0.00 0.22 0.00 0.00 39.33 39.96 2jla h ASP 541 CO 0.00 -0.20 0.27 1.23 -1.72 0.00 0.00 179.24 178.82 2jla h GLY 542 N -0.32 1.13 0.93 2.75 0.00 -1.80 0.69 103.07 106.44 2jla h GLY 542 Ca -0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 2jla h GLY 542 CO 0.05 -0.14 0.09 0.00 0.00 0.00 0.00 176.54 176.54 2jla h ALA 543 N 1.57 0.52 -0.35 3.60 0.00 -1.81 -3.02 119.26 119.78 2jla h ALA 543 Ca 0.42 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2jla h ALA 543 Cb 0.68 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2jla h ALA 543 CO -0.44 0.20 -0.01 1.96 0.00 0.00 0.00 179.25 180.97 2jla h GLN 544 N 0.49 0.62 -0.79 0.00 4.20 -0.53 -2.64 115.11 116.45 2jla h GLN 544 Ca 0.12 -0.20 0.09 0.00 0.06 0.00 0.00 58.65 58.72 2jla h GLN 544 Cb 0.32 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 2jla h GLN 544 CO 0.00 0.74 0.51 1.15 -0.67 0.00 0.00 178.83 180.56 2jla h THR 545 N 0.42 0.97 -0.24 -0.54 2.02 -0.90 0.34 112.91 114.98 2jla h THR 545 Ca 0.10 -0.26 -0.16 0.00 0.77 0.00 0.00 66.41 66.86 2jla h THR 545 Cb 0.46 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2jla h THR 545 CO 0.02 0.14 -0.48 0.25 0.37 0.00 0.00 175.52 175.82 2jla h LEU 546 N 0.76 0.84 -0.65 2.58 5.85 -1.44 -0.18 115.31 123.06 2jla h LEU 546 Ca 0.36 -0.54 -0.10 0.00 0.84 0.00 0.00 57.88 58.43 2jla h LEU 546 Cb 0.39 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2jla h LEU 546 CO -0.13 1.22 -0.04 1.56 -0.34 0.00 0.00 178.44 180.71 2jla h GLN 547 N 0.48 1.02 0.47 1.25 4.20 -0.81 -1.21 115.11 120.51 2jla h GLN 547 Ca 0.01 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 2jla h GLN 547 Cb 1.09 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.78 2jla h GLN 547 CO 0.11 1.02 -0.23 1.96 -0.67 0.00 0.00 178.83 181.02 2jla h GLN 548 N 0.92 -0.61 -0.91 1.46 4.20 -0.33 -1.54 115.11 118.29 2jla h GLN 548 Ca 0.16 0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.97 2jla h GLN 548 Cb 0.59 0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.45 2jla h GLN 548 CO 0.04 -0.40 0.59 -0.07 -0.67 0.00 0.00 178.83 178.32 2jla h LEU 549 N -0.66 0.93 0.30 1.46 3.38 -0.97 0.12 115.31 119.88 2jla h LEU 549 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2jla h LEU 549 Cb 0.50 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2jla h LEU 549 CO 0.11 0.61 -0.15 0.25 0.09 0.00 0.00 178.44 179.35 2jla h LEU 550 N 1.06 -0.35 -0.26 1.67 5.85 -1.03 0.27 115.31 122.53 2jla h LEU 550 Ca 0.39 0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.16 2jla h LEU 550 Cb 0.16 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2jla h LEU 550 CO -0.14 -0.25 0.01 0.00 -0.34 0.00 0.00 178.44 177.72 2jla h ALA 551 N 0.30 0.24 0.14 1.25 0.00 -0.75 -1.29 119.26 119.15 2jla h ALA 551 Ca -0.04 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2jla h ALA 551 Cb 0.31 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2jla h ALA 551 CO 0.07 -0.41 -0.40 0.37 0.00 0.00 0.00 179.25 178.88 2jla h GLN 552 N 0.09 -0.63 0.00 0.00 4.15 -0.42 -2.58 115.11 115.73 2jla h GLN 552 Ca 0.12 0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.54 2jla h GLN 552 Cb 0.15 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 2jla h GLN 552 CO -0.20 -0.42 -0.20 0.28 -1.93 0.00 0.00 178.83 176.37 2jla h VAL 553 N -0.65 0.93 0.00 2.39 2.07 -0.22 -2.31 116.25 118.47 2jla h VAL 553 Ca 0.02 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2jla h VAL 553 Cb 0.67 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2jla h VAL 553 CO -0.22 0.19 0.00 0.77 0.02 0.00 0.00 177.57 178.33 2jla h SER 554 N 0.00 0.00 0.01 0.57 4.64 -0.82 -2.88 113.55 115.08 2jla h SER 554 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jla h SER 554 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2jla h SER 554 CO 0.03 0.00 -0.44 1.41 -0.87 0.00 0.00 176.83 176.96 2jla n HIS 555 N -2.46 0.00 0.55 4.77 8.25 -0.87 -4.56 115.22 120.90 2jla n HIS 555 Ca 0.01 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.52 2jla n HIS 555 Cb 0.23 -0.01 0.26 0.00 1.12 0.00 0.00 29.99 31.58 2jla n HIS 555 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26