#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 0.57 -0.10 2.46 2.07 -1.98 0.17 116.25 119.44 2jla h VAL 3 Ca 0.00 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2jla h VAL 3 Cb 0.00 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.03 2jla h VAL 3 CO 0.00 0.04 -0.24 -1.28 0.02 0.00 0.00 177.57 176.11 2jla h SER 4 N 0.23 -0.73 -0.33 0.57 0.87 -1.87 -0.18 113.55 112.12 2jla h SER 4 Ca 0.35 0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.95 2jla h SER 4 Cb 0.55 0.32 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 2jla h SER 4 CO -0.46 -0.29 -0.01 0.00 -0.53 0.00 0.00 176.83 175.54 2jla h ALA 5 N 0.61 1.19 -0.09 6.23 0.00 -1.66 -3.11 119.26 122.41 2jla h ALA 5 Ca 0.09 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2jla h ALA 5 Cb 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2jla h ALA 5 CO -0.28 0.53 -0.52 0.35 0.00 0.00 0.00 179.25 179.33 2jla h PHE 6 N 0.65 0.32 -0.38 0.00 3.57 0.15 -2.77 116.94 118.48 2jla h PHE 6 Ca 0.13 -0.11 0.06 0.00 3.53 0.00 0.00 57.97 61.58 2jla h PHE 6 Cb 0.42 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 2jla h PHE 6 CO 0.02 0.73 0.26 -0.91 -2.23 0.00 0.00 178.31 176.18 2jla h ASN 7 N 0.20 0.24 0.82 0.41 2.35 -0.99 -1.48 115.58 117.14 2jla h ASN 7 Ca 0.01 -0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.51 2jla h ASN 7 Cb 0.99 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.28 2jla h ASN 7 CO 0.08 0.16 -1.21 0.03 -1.65 0.00 0.00 177.43 174.84 2jla h ARG 8 N 0.28 0.05 -0.31 0.81 3.08 -1.54 -2.33 114.38 114.41 2jla h ARG 8 Ca 0.17 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 59.99 2jla h ARG 8 Cb 0.32 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2jla h ARG 8 CO -0.03 0.94 -0.37 0.00 -1.07 0.00 0.00 179.97 179.43 2jla h ARG 9 N 0.01 0.72 0.37 0.04 2.47 -1.21 0.14 114.38 116.93 2jla h ARG 9 Ca -0.10 -0.36 -0.02 0.00 -1.26 0.00 0.00 59.98 58.25 2jla h ARG 9 Cb 1.86 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.18 2jla h ARG 9 CO 0.13 0.97 -0.18 2.35 0.56 0.00 0.00 179.97 183.81 2jla h TRP 10 N 0.60 -0.46 -0.51 3.04 2.91 -1.33 -2.44 115.95 117.75 2jla h TRP 10 Ca 0.06 -0.01 -0.07 0.00 1.13 0.00 0.00 58.89 60.00 2jla h TRP 10 Cb 0.91 0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 29.68 2jla h TRP 10 CO 0.05 -0.19 0.05 0.00 -1.03 0.00 0.00 178.44 177.32 2jla h ALA 11 N -0.11 1.11 -1.01 2.65 0.00 -1.33 -1.57 119.26 119.02 2jla h ALA 11 Ca -0.05 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.68 2jla h ALA 11 Cb 0.48 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 2jla h ALA 11 CO 0.08 0.57 0.65 0.00 0.00 0.00 0.00 179.25 180.56 2jla h ALA 12 N 1.26 1.42 -0.14 0.00 0.00 -0.70 -0.43 119.26 120.66 2jla h ALA 12 Ca 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2jla h ALA 12 Cb 0.41 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jla h ALA 12 CO 0.01 0.42 0.07 0.28 0.00 0.00 0.00 179.25 180.04 2jla h VAL 13 N 1.16 1.12 -0.18 0.00 2.07 -0.80 -1.05 116.25 118.57 2jla h VAL 13 Ca 0.44 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.67 2jla h VAL 13 Cb 0.20 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2jla h VAL 13 CO -0.18 0.11 -0.07 0.40 0.02 0.00 0.00 177.57 177.84 2jla h ILE 14 N 0.11 0.76 -0.25 4.57 2.04 -0.65 -0.37 117.51 123.72 2jla h ILE 14 Ca 0.05 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.72 2jla h ILE 14 Cb 0.11 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2jla h ILE 14 CO -0.01 0.00 -0.59 -0.07 0.00 0.00 0.00 178.15 177.48 2jla h LEU 15 N -0.04 0.93 -0.80 1.44 3.38 -1.06 -2.26 115.31 116.90 2jla h LEU 15 Ca 0.09 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2jla h LEU 15 Cb 0.18 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2jla h LEU 15 CO -0.21 1.31 0.51 -0.08 0.09 0.00 0.00 178.44 180.06 2jla h GLU 16 N 0.62 1.06 -0.47 1.13 4.57 -1.09 -1.99 114.58 118.43 2jla h GLU 16 Ca 0.00 -0.08 0.09 0.00 -1.18 0.00 0.00 59.36 58.19 2jla h GLU 16 Cb 1.20 -0.23 -0.08 0.00 -0.16 0.00 0.00 28.75 29.48 2jla h GLU 16 CO 0.13 0.72 -0.04 0.00 -1.18 0.00 0.00 179.01 178.64 2jla h ALA 17 N 1.28 0.39 -0.54 2.92 0.00 -0.72 -1.77 119.26 120.82 2jla h ALA 17 Ca 0.29 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.39 2jla h ALA 17 Cb -0.09 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2jla h ALA 17 CO -0.06 -0.41 0.36 -0.07 0.00 0.00 0.00 179.25 179.07 2jla h LEU 18 N 0.07 0.54 -1.24 0.00 3.38 -0.79 -1.65 115.31 115.62 2jla h LEU 18 Ca 0.23 -0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.42 2jla h LEU 18 Cb 0.35 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 40.88 2jla h LEU 18 CO -0.42 0.37 0.63 0.74 0.09 0.00 0.00 178.44 179.85 2jla h THR 19 N 0.62 0.61 0.00 0.22 2.02 -0.89 -1.89 112.91 113.61 2jla h THR 19 Ca 0.22 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.21 2jla h THR 19 Cb 0.10 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 2jla h THR 19 CO -0.06 0.10 0.00 0.54 0.37 0.00 0.00 175.52 176.47 2jla n ARG 20 N -4.68 0.29 -0.35 6.66 5.12 -0.62 -2.42 116.66 120.67 2jla n ARG 20 Ca 0.24 0.05 0.07 0.00 -1.93 0.00 0.00 57.85 56.28 2jla n ARG 20 Cb 0.73 -1.50 0.20 0.00 -1.16 0.00 0.00 32.46 30.73 2jla n ARG 20 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2jla n HIS 21 N -1.33 0.48 -1.94 -1.55 8.25 -0.72 -4.36 115.22 114.05 2jla n HIS 21 Ca 0.11 -1.08 -0.05 0.00 -0.26 0.00 0.00 57.72 56.44 2jla n HIS 21 Cb 0.22 -0.26 -0.01 0.00 1.12 0.00 0.00 29.99 31.06 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 -1.04 0.26 3.67 -1.41 0.00 -1.01 -4.65 105.19 101.01 2jla n GLY 22 Ca 0.20 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.24 4.57 0.00 1.61 1.01 -1.14 -4.33 120.40 119.89 2jla s VAL 23 Ca 0.00 1.88 0.00 0.00 0.00 0.00 0.00 61.98 63.86 2jla s VAL 23 Cb 0.00 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.17 2jla s VAL 23 CO 0.00 -0.11 0.00 -1.14 0.00 0.00 0.00 175.10 173.85 2jla n ARG 24 N 5.96 0.00 -3.30 2.72 3.00 -1.26 -4.55 116.66 119.23 2jla n ARG 24 Ca 0.12 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.63 2jla n ARG 24 Cb 0.46 -0.77 -0.06 0.00 0.00 0.00 0.00 32.46 32.10 2jla n ARG 24 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2jla s HIS 25 N -1.96 3.50 -0.01 -0.14 3.76 -1.26 -0.28 115.29 118.89 2jla s HIS 25 Ca 0.00 1.06 0.00 0.00 -0.15 0.00 0.00 55.06 55.97 2jla s HIS 25 Cb 0.00 -2.39 0.02 0.00 1.11 0.00 0.00 32.58 31.32 2jla s HIS 25 CO 0.00 0.29 0.01 -1.50 -0.85 0.00 0.00 174.74 172.69 2jla s ILE 26 N -1.71 0.01 -0.25 0.60 2.07 0.24 -2.34 121.20 119.81 2jla s ILE 26 Ca 0.45 0.11 -0.02 0.00 -1.41 0.00 0.00 60.65 59.78 2jla s ILE 26 Cb -0.13 -0.09 0.02 0.00 0.13 0.00 0.00 42.46 42.40 2jla s ILE 26 CO 0.20 0.07 -0.05 0.00 -1.91 0.00 0.00 174.94 173.24 2jla s ILE 28 N 1.34 2.68 0.29 0.00 1.01 0.60 -0.50 121.20 126.61 2jla s ILE 28 Ca 0.00 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 59.93 2jla s ILE 28 Cb -0.17 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 2jla s ILE 28 CO -0.04 0.53 0.27 0.00 0.00 0.00 0.00 174.94 175.70 2jla s ALA 29 N 0.41 3.76 0.55 9.38 0.00 -0.72 -2.93 121.76 132.21 2jla s ALA 29 Ca -0.13 -1.50 -0.15 0.00 0.00 0.00 0.00 51.96 50.18 2jla s ALA 29 Cb -0.16 -1.31 -0.06 0.00 0.00 0.00 0.00 23.12 21.58 2jla s ALA 29 CO 0.06 0.13 1.01 -1.25 0.00 0.00 0.00 175.76 175.71 2jla s PRO 30 N -3.94 3.77 0.00 0.00 0.05 -1.26 -4.71 135.00 128.91 2jla s PRO 30 Ca 0.37 0.96 0.00 0.00 0.05 0.00 0.00 61.00 62.38 2jla s PRO 30 Cb -0.07 -2.11 0.00 0.00 0.05 0.00 0.00 34.50 32.37 2jla s PRO 30 CO 0.26 -0.43 0.00 0.41 0.05 0.00 0.00 177.00 177.30 2jla n GLY 31 N -1.68 1.70 0.08 0.56 0.00 -1.26 -4.52 105.19 100.06 2jla n GLY 31 Ca 0.07 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 2jla n GLY 31 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jla h SER 32 N 0.00 0.00 -0.41 1.61 0.87 -2.00 -3.39 113.55 110.24 2jla h SER 32 Ca 0.00 -0.30 0.12 0.00 -1.23 0.00 0.00 61.79 60.38 2jla h SER 32 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2jla h SER 32 CO 0.00 1.10 0.30 -0.09 -0.53 0.00 0.00 176.83 177.60 2jla h ARG 33 N -1.00 0.00 0.00 2.24 9.65 -1.97 0.96 114.38 124.25 2jla h ARG 33 Ca -0.16 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 2jla h ARG 33 Cb 0.87 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.45 2jla h ARG 33 CO -0.10 0.00 0.00 -1.13 2.80 0.00 0.00 179.97 181.54 2jla n SER 34 N -4.38 0.00 -0.27 -3.80 3.41 -1.26 -4.33 113.62 102.98 2jla n SER 34 Ca 0.07 0.46 -0.04 0.00 -0.26 0.00 0.00 58.87 59.10 2jla n SER 34 Cb 0.49 -0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 2jla n SER 34 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2jla n THR 35 N -1.49 -0.41 -0.33 6.66 -1.04 0.33 -0.31 114.28 117.70 2jla n THR 35 Ca 0.06 1.62 0.07 0.00 -2.04 0.00 0.00 64.05 63.76 2jla n THR 35 Cb 0.28 -2.07 0.27 0.00 -1.82 0.00 0.00 70.33 66.99 2jla n THR 35 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2jla h PRO 36 N 0.00 0.92 -0.12 -2.82 0.11 -1.83 -0.22 132.00 128.03 2jla h PRO 36 Ca 0.17 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 2jla h PRO 36 Cb 0.34 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.24 2jla h PRO 36 CO -0.66 0.61 -0.21 -0.07 -0.21 0.00 0.00 178.00 177.46 2jla h LEU 37 N 0.95 0.39 -0.92 2.35 3.38 -0.98 -2.87 115.31 117.61 2jla h LEU 37 Ca 0.46 -0.55 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 2jla h LEU 37 Cb 0.46 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2jla h LEU 37 CO -0.22 0.86 -0.26 0.74 0.09 0.00 0.00 178.44 179.65 2jla h THR 38 N -0.07 1.27 -0.04 0.22 2.02 -0.05 0.07 112.91 116.33 2jla h THR 38 Ca 0.01 -1.29 -0.24 0.00 0.77 0.00 0.00 66.41 65.66 2jla h THR 38 Cb 0.79 1.36 0.02 0.00 -1.74 0.00 0.00 68.15 68.58 2jla h THR 38 CO 0.05 0.41 -0.93 -0.07 0.37 0.00 0.00 175.52 175.35 2jla h LEU 39 N 0.43 0.89 -0.38 2.58 3.38 -1.19 -2.17 115.31 118.85 2jla h LEU 39 Ca 0.06 -0.71 0.06 0.00 0.09 0.00 0.00 57.88 57.38 2jla h LEU 39 Cb 0.68 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 2jla h LEU 39 CO 0.05 1.48 0.08 0.00 0.09 0.00 0.00 178.44 180.13 2jla h ALA 40 N 0.43 0.41 -0.91 1.53 0.00 -1.25 -2.00 119.26 117.47 2jla h ALA 40 Ca -0.10 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jla h ALA 40 Cb 1.58 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.42 2jla h ALA 40 CO 0.18 -0.32 0.60 0.00 0.00 0.00 0.00 179.25 179.71 2jla h ALA 41 N 1.28 1.16 0.00 0.00 0.00 -1.00 -2.75 119.26 117.96 2jla h ALA 41 Ca 0.18 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2jla h ALA 41 Cb 0.21 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2jla h ALA 41 CO -0.24 0.56 -0.30 0.00 0.00 0.00 0.00 179.25 179.27 2jla h ALA 42 N 1.33 0.82 0.00 0.00 0.00 -0.98 -2.93 119.26 117.50 2jla h ALA 42 Ca 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jla h ALA 42 Cb -0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2jla h ALA 42 CO -0.07 0.38 -0.65 -0.85 0.00 0.00 0.00 179.25 178.06 2jla n GLU 43 N -3.20 0.24 -2.88 0.00 0.28 -0.79 -4.72 120.64 109.57 2jla n GLU 43 Ca 0.02 0.06 -0.43 0.00 -0.16 0.00 0.00 57.16 56.65 2jla n GLU 43 Cb 0.63 -1.64 -0.04 0.00 1.43 0.00 0.00 31.44 31.82 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 -3.98 6.25 -0.00 -1.84 3.84 -1.04 -4.92 114.94 113.26 2jla s ASN 44 Ca 0.07 -0.70 0.00 0.00 0.21 0.00 0.00 52.86 52.44 2jla s ASN 44 Cb 0.14 -2.41 0.01 0.00 -0.55 0.00 0.00 41.25 38.44 2jla s ASN 44 CO 0.73 -1.28 0.81 -1.54 -2.79 0.00 0.00 177.10 173.02 2jla n SER 45 N 7.42 0.47 0.19 -4.21 3.41 -1.26 -2.96 113.62 116.67 2jla n SER 45 Ca -0.02 -2.01 0.13 0.00 -0.26 0.00 0.00 58.87 56.72 2jla n SER 45 Cb 0.46 -0.21 0.33 0.00 -0.26 0.00 0.00 64.21 64.53 2jla n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jla h ALA 46 N 2.61 1.00 -2.79 7.33 0.00 -1.91 -3.47 119.26 122.02 2jla h ALA 46 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 2jla h ALA 46 Cb 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2jla h ALA 46 CO 0.00 0.00 -0.44 -0.06 0.00 0.00 0.00 179.25 178.75 2jla s PHE 47 N -3.25 3.54 -0.38 0.00 0.08 -1.16 -4.84 117.98 111.98 2jla s PHE 47 Ca 0.07 0.42 -0.19 0.00 0.12 0.00 0.00 56.93 57.36 2jla s PHE 47 Cb 0.08 -1.88 0.01 0.00 -0.57 0.00 0.00 43.02 40.65 2jla s PHE 47 CO 0.61 0.59 0.53 0.42 -0.10 0.00 0.00 175.22 177.28 2jla s ILE 48 N -1.41 4.98 -0.08 0.64 1.01 0.61 -4.99 121.20 121.97 2jla s ILE 48 Ca 0.31 0.20 -0.20 0.00 0.00 0.00 0.00 60.65 60.96 2jla s ILE 48 Cb -0.13 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 2jla s ILE 48 CO 0.21 -0.33 0.56 -1.00 0.00 0.00 0.00 174.94 174.38 2jla s HIS 49 N 2.45 3.56 -0.01 3.97 3.76 -1.26 -0.59 115.29 127.17 2jla s HIS 49 Ca 0.19 1.05 0.08 0.00 -0.15 0.00 0.00 55.06 56.22 2jla s HIS 49 Cb -0.15 -2.63 -0.02 0.00 1.11 0.00 0.00 32.58 30.88 2jla s HIS 49 CO 0.15 0.18 -0.25 -1.01 -0.85 0.00 0.00 174.74 172.96 2jla s HIS 50 N 0.51 2.35 0.09 1.40 3.76 0.42 -4.95 115.29 118.87 2jla s HIS 50 Ca 0.30 -0.42 0.07 0.00 -0.15 0.00 0.00 55.06 54.87 2jla s HIS 50 Cb -0.16 -1.49 -0.03 0.00 1.11 0.00 0.00 32.58 32.00 2jla s HIS 50 CO 0.14 0.00 -0.19 0.95 -0.85 0.00 0.00 174.74 174.79 2jla s THR 51 N -0.65 1.53 0.15 1.30 -4.23 -1.26 -0.29 115.64 112.19 2jla s THR 51 Ca 0.10 -1.49 -0.22 0.00 -1.18 0.00 0.00 61.69 58.91 2jla s THR 51 Cb -0.10 -1.42 0.07 0.00 1.34 0.00 0.00 72.50 72.38 2jla s THR 51 CO -0.00 -0.12 0.57 -2.28 -0.54 0.00 0.00 174.62 172.25 2jla s HIS 52 N -1.24 -0.49 -0.14 3.99 5.04 -1.15 -4.96 115.29 116.34 2jla s HIS 52 Ca 0.04 0.27 0.18 0.00 -1.54 0.00 0.00 55.06 54.01 2jla s HIS 52 Cb -0.10 0.52 -0.25 0.00 0.04 0.00 0.00 32.58 32.79 2jla s HIS 52 CO 0.04 -0.83 0.34 1.97 -2.34 0.00 0.00 174.74 173.92 2jla n PHE 53 N -0.36 0.25 -3.30 3.88 1.16 -1.26 -4.34 117.46 113.49 2jla n PHE 53 Ca -0.17 0.09 -0.43 0.00 -1.87 0.00 0.00 57.45 55.07 2jla n PHE 53 Cb 0.65 -0.92 -0.08 0.00 -1.61 0.00 0.00 39.48 37.51 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 -5.37 6.20 0.40 5.98 -1.08 -1.26 -4.86 116.67 116.68 2jla s ASP 54 Ca -0.08 -0.70 0.08 0.00 -0.52 0.00 0.00 52.55 51.33 2jla s ASP 54 Cb 0.08 -2.23 0.86 0.00 -1.46 0.00 0.00 42.92 40.18 2jla s ASP 54 CO 0.84 -0.61 2.02 -0.33 0.52 0.00 0.00 175.17 177.61 2jla h GLU 55 N 8.76 0.56 -0.52 4.34 3.07 -1.90 -0.46 114.58 128.43 2jla h GLU 55 Ca -0.26 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.57 2jla h GLU 55 Cb 1.11 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.86 2jla h GLU 55 CO 0.81 0.37 0.33 -0.09 -1.40 0.00 0.00 179.01 179.04 2jla h ARG 56 N 0.58 0.66 -0.45 2.33 2.43 -1.90 -1.11 114.38 116.91 2jla h ARG 56 Ca 0.22 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 2jla h ARG 56 Cb 0.15 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2jla h ARG 56 CO -0.06 0.43 0.06 0.78 -1.51 0.00 0.00 179.97 179.68 2jla h GLY 57 N 0.68 0.82 0.43 2.80 0.00 -1.69 -2.53 103.07 103.57 2jla h GLY 57 Ca 0.20 -0.55 0.14 0.00 0.00 0.00 0.00 47.33 47.11 2jla h GLY 57 CO -0.06 0.51 0.62 -2.00 0.00 0.00 0.00 176.54 175.61 2jla h LEU 58 N 0.62 0.86 -0.32 3.11 5.85 -0.66 0.34 115.31 125.10 2jla h LEU 58 Ca 0.14 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 2jla h LEU 58 Cb 0.40 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2jla h LEU 58 CO 0.01 0.43 0.05 1.23 -0.34 0.00 0.00 178.44 179.82 2jla h GLY 59 N 0.91 0.58 1.69 3.75 0.00 -0.94 -2.20 103.07 106.86 2jla h GLY 59 Ca 0.50 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 47.36 2jla h GLY 59 CO -0.27 0.36 -0.25 0.45 0.00 0.00 0.00 176.54 176.82 2jla h HIS 60 N 0.36 0.40 -0.39 5.60 3.86 -0.87 -0.63 115.15 123.48 2jla h HIS 60 Ca 0.10 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2jla h HIS 60 Cb 0.35 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 2jla h HIS 60 CO 0.02 0.59 0.24 1.25 0.86 0.00 0.00 177.93 180.90 2jla h LEU 61 N 0.33 0.41 -0.14 2.43 5.85 -0.19 -0.06 115.31 123.93 2jla h LEU 61 Ca 0.05 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2jla h LEU 61 Cb 0.62 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2jla h LEU 61 CO 0.04 0.29 0.07 0.00 -0.34 0.00 0.00 178.44 178.51 2jla h ALA 62 N 1.16 0.18 -0.59 1.25 0.00 -1.05 -1.87 119.26 118.34 2jla h ALA 62 Ca 0.15 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.12 2jla h ALA 62 Cb -0.02 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.62 2jla h ALA 62 CO -0.05 -0.28 0.03 1.25 0.00 0.00 0.00 179.25 180.20 2jla h LEU 63 N 0.12 -0.20 -0.52 0.00 5.85 -0.92 0.12 115.31 119.75 2jla h LEU 63 Ca 0.05 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.96 2jla h LEU 63 Cb 0.09 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 2jla h LEU 63 CO -0.01 -0.08 0.25 1.23 -0.34 0.00 0.00 178.44 179.49 2jla h GLY 64 N 0.15 0.73 0.89 3.75 0.00 -0.44 0.89 103.07 109.04 2jla h GLY 64 Ca 0.31 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 2jla h GLY 64 CO -0.48 0.09 -0.04 1.41 0.00 0.00 0.00 176.54 177.52 2jla h LEU 65 N 0.48 0.56 -0.28 3.11 3.38 -0.55 -2.65 115.31 119.37 2jla h LEU 65 Ca 0.24 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.91 2jla h LEU 65 Cb 0.17 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2jla h LEU 65 CO -0.18 0.77 0.06 0.00 0.09 0.00 0.00 178.44 179.17 2jla h ALA 66 N 0.81 0.29 -0.43 1.53 0.00 -0.56 -0.75 119.26 120.15 2jla h ALA 66 Ca 0.08 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.13 2jla h ALA 66 Cb 0.50 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 2jla h ALA 66 CO 0.02 -0.36 -0.22 -0.22 0.00 0.00 0.00 179.25 178.48 2jla h LYS 67 N 0.16 -0.13 0.17 0.00 3.64 -0.66 0.27 116.57 120.02 2jla h LYS 67 Ca 0.13 0.01 -0.22 0.00 -1.27 0.00 0.00 60.65 59.29 2jla h LYS 67 Cb 0.13 0.03 0.03 0.00 -0.41 0.00 0.00 32.23 32.01 2jla h LYS 67 CO -0.17 -0.09 -0.98 0.28 -2.27 0.00 0.00 179.45 176.23 2jla h VAL 68 N -0.13 1.45 0.00 2.00 2.07 -1.36 -3.34 116.25 116.94 2jla h VAL 68 Ca 0.20 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 65.16 2jla h VAL 68 Cb 0.45 3.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 2jla h VAL 68 CO -0.51 0.74 -0.33 -1.54 0.02 0.00 0.00 177.57 175.95 2jla n SER 69 N -4.02 0.77 -3.59 0.57 3.41 -0.30 -4.93 113.62 105.53 2jla n SER 69 Ca -0.14 0.34 -0.27 0.00 -0.26 0.00 0.00 58.87 58.54 2jla n SER 69 Cb 0.89 -0.29 -0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2jla n SER 69 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jla n LYS 70 N -2.20 -3.62 -4.38 4.33 5.02 0.94 -4.96 118.16 113.30 2jla n LYS 70 Ca 0.04 0.47 -0.23 0.00 -2.02 0.00 0.00 58.31 56.57 2jla n LYS 70 Cb 0.44 -5.21 -0.11 0.00 -0.02 0.00 0.00 35.03 30.13 2jla n LYS 70 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2jla s GLN 71 N -6.26 1.40 0.27 1.97 -1.52 -1.25 -5.04 119.66 109.22 2jla s GLN 71 Ca 0.50 -1.49 -0.29 0.00 -1.95 0.00 0.00 55.36 52.12 2jla s GLN 71 Cb -0.26 -1.52 -0.10 0.00 -0.22 0.00 0.00 33.01 30.91 2jla s GLN 71 CO 0.61 0.31 1.28 -1.25 -0.25 0.00 0.00 175.29 176.00 2jla s PRO 72 N -2.88 4.41 -0.10 2.91 0.04 -1.26 -4.56 135.00 133.55 2jla s PRO 72 Ca 0.19 2.10 0.01 0.00 0.04 0.00 0.00 61.00 63.34 2jla s PRO 72 Cb -0.06 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.32 2jla s PRO 72 CO 0.09 -0.17 -0.15 0.08 0.04 0.00 0.00 177.00 176.89 2jla s VAL 73 N -0.59 2.92 0.09 -0.36 1.01 0.09 -4.01 120.40 119.55 2jla s VAL 73 Ca 0.52 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 2jla s VAL 73 Cb -0.37 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 2jla s VAL 73 CO 0.45 0.55 0.36 0.00 0.00 0.00 0.00 175.10 176.46 2jla s ALA 74 N 0.05 3.78 0.02 5.51 0.00 -0.99 -1.07 121.76 129.07 2jla s ALA 74 Ca -0.06 -0.50 0.05 0.00 0.00 0.00 0.00 51.96 51.45 2jla s ALA 74 Cb -0.15 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 2jla s ALA 74 CO 0.05 0.63 -0.14 0.08 0.00 0.00 0.00 175.76 176.37 2jla s VAL 75 N -1.49 1.12 -0.08 0.00 1.01 -0.38 -0.20 120.40 120.37 2jla s VAL 75 Ca 0.35 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2jla s VAL 75 Cb -0.13 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.28 2jla s VAL 75 CO 0.21 0.12 -0.05 -0.63 0.00 0.00 0.00 175.10 174.74 2jla s ILE 76 N -0.66 0.76 0.08 2.22 1.01 0.34 -0.74 121.20 124.20 2jla s ILE 76 Ca 0.03 -0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.53 2jla s ILE 76 Cb -0.07 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 2jla s ILE 76 CO 0.01 0.31 -0.07 0.68 0.00 0.00 0.00 174.94 175.87 2jla s VAL 77 N 1.47 0.60 0.86 2.92 -7.23 -1.10 -1.76 120.40 116.16 2jla s VAL 77 Ca -0.01 -1.65 -0.13 0.00 -1.81 0.00 0.00 61.98 58.38 2jla s VAL 77 Cb -0.13 -1.32 0.12 0.00 0.56 0.00 0.00 36.38 35.61 2jla s VAL 77 CO -0.04 -0.73 1.21 0.28 -0.31 0.00 0.00 175.10 175.52 2jla s THR 78 N -2.93 2.00 0.84 5.32 -1.32 -1.26 -2.09 115.64 116.20 2jla s THR 78 Ca 0.04 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.42 2jla s THR 78 Cb 0.01 -2.98 0.10 0.00 -1.51 0.00 0.00 72.50 68.12 2jla s THR 78 CO -0.04 0.00 1.12 -0.94 -2.21 0.00 0.00 174.62 172.55 2jla s SER 79 N -4.62 3.73 0.00 8.08 1.04 -1.22 -3.97 113.70 116.75 2jla s SER 79 Ca 0.65 2.01 0.00 0.00 0.48 0.00 0.00 55.95 59.09 2jla s SER 79 Cb -0.09 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2jla s SER 79 CO 0.50 -2.56 0.00 0.61 0.98 0.00 0.00 173.24 172.78 2jla n GLY 80 N -0.51 -0.72 0.34 7.32 0.00 -1.26 -4.38 105.19 105.98 2jla n GLY 80 Ca 0.10 -1.90 0.22 0.00 0.00 0.00 0.00 46.02 44.44 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 0.05 -0.84 2.61 1.35 -1.94 0.63 112.91 114.78 2jla h THR 81 Ca 0.00 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.00 2jla h THR 81 Cb 0.00 0.98 -0.09 0.00 -1.73 0.00 0.00 68.15 67.31 2jla h THR 81 CO 0.00 0.00 0.43 0.00 -0.25 0.00 0.00 175.52 175.70 2jla h ALA 82 N 1.96 1.25 -0.14 6.62 0.00 -1.81 -2.00 119.26 125.14 2jla h ALA 82 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2jla h ALA 82 Cb 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2jla h ALA 82 CO -0.00 -0.08 -0.02 0.28 0.00 0.00 0.00 179.25 179.43 2jla h VAL 83 N 0.63 1.28 -0.95 0.00 2.07 -0.99 -3.05 116.25 115.24 2jla h VAL 83 Ca 0.45 -0.93 0.21 0.00 0.82 0.00 0.00 66.70 67.26 2jla h VAL 83 Cb 0.62 1.61 -0.08 0.00 -1.52 0.00 0.00 31.29 31.92 2jla h VAL 83 CO -0.35 0.27 0.62 0.00 0.02 0.00 0.00 177.57 178.13 2jla h ALA 84 N 0.72 2.11 0.00 1.67 0.00 -1.46 -1.92 119.26 120.38 2jla h ALA 84 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jla h ALA 84 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jla h ALA 84 CO 0.01 -0.43 0.00 -0.91 0.00 0.00 0.00 179.25 177.92 2jla h ASN 85 N 0.48 0.00 1.17 0.00 2.35 -1.26 -0.92 115.58 117.40 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 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 2jla h ASN 85 CO -0.24 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.72 2jla n LEU 86 N -3.04 0.74 -0.18 1.61 4.77 -0.72 -3.97 117.00 116.21 2jla n LEU 86 Ca -0.02 0.61 -0.01 0.00 -0.03 0.00 0.00 56.01 56.56 2jla n LEU 86 Cb 0.11 -0.42 0.08 0.00 -2.33 0.00 0.00 43.42 40.86 2jla n LEU 86 CO 0.21 -0.33 0.84 0.22 -1.33 0.00 0.00 177.39 177.00 2jla h TYR 87 N 0.00 -0.03 0.15 -1.77 5.03 -1.33 -1.06 116.97 117.96 2jla h TYR 87 Ca 0.00 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.35 2jla h TYR 87 Cb 0.58 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.95 2jla h TYR 87 CO 0.00 -0.13 -0.13 -1.35 -1.32 0.00 0.00 178.16 175.22 2jla h PRO 88 N 0.12 -0.29 -0.87 1.82 0.11 -1.82 -1.34 132.00 129.74 2jla h PRO 88 Ca 0.29 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.44 2jla h PRO 88 Cb 0.44 0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.57 2jla h PRO 88 CO -0.47 -0.19 0.57 0.00 -0.21 0.00 0.00 178.00 177.70 2jla h ALA 89 N 0.53 1.43 -0.53 -0.75 0.00 -1.73 -1.48 119.26 116.73 2jla h ALA 89 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2jla h ALA 89 Cb 0.28 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2jla h ALA 89 CO -0.02 0.50 0.20 1.25 0.00 0.00 0.00 179.25 181.18 2jla h LEU 90 N 1.12 0.74 -0.33 0.00 5.85 -0.95 -0.13 115.31 121.61 2jla h LEU 90 Ca 0.33 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2jla h LEU 90 Cb -0.04 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 2jla h LEU 90 CO -0.09 0.72 0.11 0.40 -0.34 0.00 0.00 178.44 179.24 2jla h ILE 91 N 0.72 1.20 -0.27 4.05 2.04 -0.52 0.42 117.51 125.15 2jla h ILE 91 Ca 0.18 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.42 2jla h ILE 91 Cb 0.21 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2jla h ILE 91 CO -0.01 0.22 0.13 -0.08 0.00 0.00 0.00 178.15 178.40 2jla h GLU 92 N 0.38 0.26 -0.69 2.37 4.57 -1.15 -2.18 114.58 118.14 2jla h GLU 92 Ca 0.11 -0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.38 2jla h GLU 92 Cb 0.23 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 28.68 2jla h GLU 92 CO -0.01 0.17 0.29 0.00 -1.18 0.00 0.00 179.01 178.29 2jla h ALA 93 N 1.14 0.94 -0.99 2.92 0.00 -0.83 -0.48 119.26 121.96 2jla h ALA 93 Ca 0.11 0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.24 2jla h ALA 93 Cb 0.04 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 2jla h ALA 93 CO -0.08 -0.16 0.62 0.78 0.00 0.00 0.00 179.25 180.41 2jla h GLY 94 N 0.47 1.60 0.92 0.00 0.00 -0.30 0.11 103.07 105.87 2jla h GLY 94 Ca 0.36 -0.41 -0.20 0.00 0.00 0.00 0.00 47.33 47.08 2jla h GLY 94 CO -0.33 0.14 -1.54 1.04 0.00 0.00 0.00 176.54 175.85 2jla n LEU 95 N -4.62 0.81 -0.00 3.11 4.77 -0.48 -4.44 117.00 116.14 2jla n LEU 95 Ca 0.19 0.36 0.05 0.00 -0.03 0.00 0.00 56.01 56.58 2jla n LEU 95 Cb 0.38 0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 2jla n LEU 95 CO 0.27 0.21 -0.51 0.35 -1.33 0.00 0.00 177.39 176.39 2jla n THR 96 N -2.90 0.00 0.00 -5.08 -2.24 -0.31 -4.96 114.28 98.79 2jla n THR 96 Ca -0.12 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2jla n THR 96 Cb 0.90 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 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 1.78 1.54 3.49 3.38 0.00 0.37 -5.00 105.19 110.75 2jla n GLY 97 Ca -0.01 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 0.41 -3.07 1.61 4.71 -1.24 -0.57 120.64 122.49 2jla n GLU 98 Ca 0.00 0.14 -0.45 0.00 -0.01 0.00 0.00 57.16 56.84 2jla n GLU 98 Cb 0.00 -1.43 -0.02 0.00 -1.01 0.00 0.00 31.44 28.97 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 -0.62 3.61 -0.33 3.49 1.02 -1.26 -3.18 119.74 122.47 2jla s LYS 99 Ca 0.73 -2.04 -0.12 0.00 0.02 0.00 0.00 55.97 54.56 2jla s LYS 99 Cb -0.98 -4.74 -0.02 0.00 -0.52 0.00 0.00 37.83 31.57 2jla s LYS 99 CO 0.56 -1.60 0.23 -0.51 -0.92 0.00 0.00 175.35 173.11 2jla s LEU 100 N 1.73 4.42 -0.57 3.17 1.43 -1.25 -0.73 118.68 126.89 2jla s LEU 100 Ca 0.28 -0.38 -0.18 0.00 -1.03 0.00 0.00 54.13 52.82 2jla s LEU 100 Cb -0.07 -2.12 0.11 0.00 0.03 0.00 0.00 46.19 44.14 2jla s LEU 100 CO -0.09 -0.21 0.63 -0.63 0.23 0.00 0.00 176.35 176.28 2jla s ILE 101 N 1.72 4.95 -0.66 -0.59 -1.09 -0.23 -0.64 121.20 124.65 2jla s ILE 101 Ca 0.06 -1.11 -0.20 0.00 -2.23 0.00 0.00 60.65 57.17 2jla s ILE 101 Cb -0.17 -4.43 0.10 0.00 -1.58 0.00 0.00 42.46 36.38 2jla s ILE 101 CO 0.10 -1.02 0.84 -0.76 -1.23 0.00 0.00 174.94 172.88 2jla s LEU 102 N 2.34 5.06 -0.64 2.97 1.43 0.15 -1.25 118.68 128.74 2jla s LEU 102 Ca 0.09 -1.40 -0.21 0.00 -1.03 0.00 0.00 54.13 51.57 2jla s LEU 102 Cb -0.26 -2.35 0.08 0.00 0.03 0.00 0.00 46.19 43.70 2jla s LEU 102 CO 0.06 -1.20 0.89 -0.76 0.23 0.00 0.00 176.35 175.56 2jla s LEU 103 N 3.06 4.69 -0.26 1.79 1.43 0.08 0.52 118.68 129.99 2jla s LEU 103 Ca 0.18 -1.14 -0.05 0.00 -1.03 0.00 0.00 54.13 52.09 2jla s LEU 103 Cb -0.19 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.65 2jla s LEU 103 CO 0.05 -1.34 0.02 0.42 0.23 0.00 0.00 176.35 175.73 2jla s THR 104 N 3.64 3.62 0.60 5.49 -4.23 -0.33 -2.70 115.64 121.74 2jla s THR 104 Ca 0.19 -0.66 -0.19 0.00 -1.18 0.00 0.00 61.69 59.85 2jla s THR 104 Cb -0.19 -2.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 2jla s THR 104 CO 0.09 0.22 1.27 0.00 -0.54 0.00 0.00 174.62 175.66 2jla s ALA 105 N 1.47 2.56 0.04 3.99 0.00 -0.89 -0.60 121.76 128.33 2jla s ALA 105 Ca 0.03 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 53.14 2jla s ALA 105 Cb -0.16 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 2jla s ALA 105 CO -0.00 -1.34 -0.03 0.34 0.00 0.00 0.00 175.76 174.73 2jla s ASP 106 N -1.37 0.38 0.94 0.00 2.15 -0.71 -3.37 116.67 114.69 2jla s ASP 106 Ca 0.78 -0.78 -0.12 0.00 0.43 0.00 0.00 52.55 52.85 2jla s ASP 106 Cb -0.35 0.16 0.16 0.00 -0.30 0.00 0.00 42.92 42.59 2jla s ASP 106 CO 0.39 -0.47 1.10 -0.13 -0.17 0.00 0.00 175.17 175.88 2jla s ARG 107 N -2.87 0.87 0.73 4.34 1.81 -1.26 -1.32 118.95 121.26 2jla s ARG 107 Ca -0.03 0.53 -0.11 0.00 -1.72 0.00 0.00 55.73 54.41 2jla s ARG 107 Cb 0.00 -1.79 0.03 0.00 -0.45 0.00 0.00 34.95 32.74 2jla s ARG 107 CO -0.06 -2.43 1.07 -1.25 -0.68 0.00 0.00 175.30 171.95 2jla s PRO 108 N -5.04 2.66 0.27 3.54 0.04 -1.24 -4.43 135.00 130.80 2jla s PRO 108 Ca 0.64 1.00 -0.09 0.00 0.04 0.00 0.00 61.00 62.59 2jla s PRO 108 Cb -0.17 -1.95 0.42 0.00 0.04 0.00 0.00 34.50 32.84 2jla s PRO 108 CO 0.56 -1.31 1.56 -1.35 0.04 0.00 0.00 177.00 176.50 2jla h PRO 109 N -0.88 -0.00 -0.02 0.56 0.10 -1.96 -0.35 132.00 129.45 2jla h PRO 109 Ca -0.44 0.00 0.01 0.00 0.10 0.00 0.00 66.00 65.67 2jla h PRO 109 Cb 1.22 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 32.32 2jla h PRO 109 CO 0.55 -0.00 0.11 0.93 0.10 0.00 0.00 178.00 179.69 2jla h GLU 110 N -0.00 0.00 -0.65 1.05 3.07 -2.03 0.33 114.58 116.35 2jla h GLU 110 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 2jla h GLU 110 Cb 0.70 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 2jla h GLU 110 CO -1.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 177.89 2jla n LEU 111 N -3.14 4.16 -4.83 1.33 4.77 -0.14 -4.93 117.00 114.22 2jla n LEU 111 Ca -0.02 -2.09 -0.37 0.00 -0.03 0.00 0.00 56.01 53.50 2jla n LEU 111 Cb 0.18 -0.53 -0.07 0.00 -2.33 0.00 0.00 43.42 40.68 2jla n LEU 111 CO 0.19 0.77 -0.14 -0.63 -1.33 0.00 0.00 177.39 176.25 2jla s ILE 112 N -1.65 5.44 -1.05 -0.08 -1.09 0.10 -4.52 121.20 118.35 2jla s ILE 112 Ca 0.46 0.27 -0.03 0.00 -2.23 0.00 0.00 60.65 59.12 2jla s ILE 112 Cb 0.28 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.71 2jla s ILE 112 CO 0.24 0.56 0.89 0.47 -1.23 0.00 0.00 174.94 175.87 2jla n ASP 113 N 2.45 -3.56 -1.25 3.58 8.00 -1.26 -4.93 116.55 119.58 2jla n ASP 113 Ca -0.18 -0.48 -0.04 0.00 0.71 0.00 0.00 54.79 54.80 2jla n ASP 113 Cb 0.54 -4.30 -0.03 0.00 -0.02 0.00 0.00 41.12 37.31 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 0.06 2.82 3.46 0.00 0.00 -1.26 -5.02 105.19 105.25 2jla n GLY 115 Ca -0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.40 2jla n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jla n ALA 116 N -0.25 -1.74 -1.78 4.61 0.00 -1.26 -4.92 120.51 115.16 2jla n ALA 116 Ca 0.00 0.32 -0.36 0.00 0.00 0.00 0.00 53.44 53.40 2jla n ALA 116 Cb 0.00 -1.76 -0.04 0.00 0.00 0.00 0.00 19.45 17.65 2jla n ALA 116 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2jla s ASN 117 N -0.86 6.59 -0.41 0.00 3.84 -1.26 -3.48 114.94 119.36 2jla s ASN 117 Ca 0.62 2.05 -0.03 0.00 0.21 0.00 0.00 52.86 55.71 2jla s ASN 117 Cb -0.75 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 37.37 2jla s ASN 117 CO 0.58 -0.61 0.05 0.00 -2.79 0.00 0.00 177.10 174.33 2jla n GLN 118 N -0.32 -0.94 -4.37 0.43 10.64 -1.26 -4.97 117.38 116.59 2jla n GLN 118 Ca 0.06 -0.08 -0.31 0.00 -1.83 0.00 0.00 57.00 54.84 2jla n GLN 118 Cb 0.50 -0.73 -0.16 0.00 -0.86 0.00 0.00 30.24 28.99 2jla n GLN 118 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2jla s ALA 119 N -3.71 2.10 0.07 2.61 0.00 -1.23 -4.21 121.76 117.39 2jla s ALA 119 Ca 0.04 -1.03 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 2jla s ALA 119 Cb -0.02 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 2jla s ALA 119 CO 0.28 -0.19 0.06 0.96 0.00 0.00 0.00 175.76 176.87 2jla s ILE 120 N 1.09 0.18 -0.41 0.00 -4.36 -1.26 -4.71 121.20 111.73 2jla s ILE 120 Ca -0.02 -1.61 -0.27 0.00 -0.26 0.00 0.00 60.65 58.50 2jla s ILE 120 Cb -0.14 -1.52 -0.04 0.00 1.25 0.00 0.00 42.46 42.01 2jla s ILE 120 CO -0.06 -0.82 2.04 -0.13 0.24 0.00 0.00 174.94 176.21 2jla s ARG 121 N -3.91 2.84 -0.22 0.37 0.52 -1.26 -4.86 118.95 112.43 2jla s ARG 121 Ca 0.08 1.37 -0.05 0.00 -0.52 0.00 0.00 55.73 56.61 2jla s ARG 121 Cb 0.07 -4.37 -0.12 0.00 0.52 0.00 0.00 34.95 31.05 2jla s ARG 121 CO -0.09 -2.44 -0.24 1.04 0.02 0.00 0.00 175.30 173.60 2jla n GLN 122 N 8.81 0.50 -1.66 3.54 6.02 -1.26 -4.92 117.38 128.40 2jla n GLN 122 Ca 0.27 0.16 -0.55 0.00 -0.01 0.00 0.00 57.00 56.87 2jla n GLN 122 Cb 0.49 -1.36 -0.07 0.00 1.02 0.00 0.00 30.24 30.32 2jla n GLN 122 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2jla n PRO 123 N -3.54 1.33 -0.22 -1.09 -0.02 -1.26 -4.70 135.00 125.50 2jla n PRO 123 Ca -0.41 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2jla n PRO 123 Cb 0.86 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 2jla n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jla n GLY 124 N 4.62 0.55 0.00 -1.23 0.00 -1.26 -5.05 105.19 102.82 2jla n GLY 124 Ca 0.28 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.09 0.00 0.00 1.61 0.99 -1.26 -4.85 117.46 113.86 2jla n PHE 126 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2jla n PHE 126 Cb 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.50 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 1.81 4.37 0.00 -1.26 -1.07 120.51 124.36 2jla n ALA 127 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2jla n ALA 127 Cb 0.00 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.24 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 1.88 0.53 0.08 0.00 3.41 -1.26 -4.30 113.62 113.96 2jla n SER 128 Ca 0.00 -1.15 -0.05 0.00 -0.26 0.00 0.00 58.87 57.40 2jla n SER 128 Cb 0.00 -0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.90 2jla n SER 128 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2jla h HIS 129 N 0.83 0.00 -4.34 7.33 -0.00 -1.52 -3.44 115.15 114.01 2jla h HIS 129 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 60.37 59.86 2jla h HIS 129 Cb 0.18 0.00 0.07 0.00 -0.00 0.00 0.00 27.41 27.66 2jla h HIS 129 CO 0.00 0.88 0.40 -2.14 -0.00 0.00 0.00 177.93 177.07 2jla s PRO 130 N -2.93 3.39 -0.02 2.45 0.02 -1.26 -4.62 135.00 132.03 2jla s PRO 130 Ca 0.01 0.83 -0.22 0.00 0.02 0.00 0.00 61.00 61.64 2jla s PRO 130 Cb 0.10 -2.05 -0.23 0.00 0.02 0.00 0.00 34.50 32.35 2jla s PRO 130 CO 0.80 -0.73 1.08 1.15 -0.33 0.00 0.00 177.00 178.97 2jla h THR 131 N -0.38 1.49 -4.22 0.99 2.02 -0.81 -3.45 112.91 108.54 2jla h THR 131 Ca -0.44 -1.92 -0.53 0.00 0.77 0.00 0.00 66.41 64.28 2jla h THR 131 Cb 1.20 2.62 -0.27 0.00 -1.74 0.00 0.00 68.15 69.95 2jla h THR 131 CO 0.60 0.54 -0.83 -1.00 0.37 0.00 0.00 175.52 175.21 2jla s HIS 132 N -3.27 1.56 -0.37 3.16 3.76 -1.23 -5.06 115.29 113.84 2jla s HIS 132 Ca -0.15 -0.33 0.03 0.00 -0.15 0.00 0.00 55.06 54.46 2jla s HIS 132 Cb 0.02 -0.97 0.11 0.00 1.11 0.00 0.00 32.58 32.85 2jla s HIS 132 CO 0.77 0.02 0.11 -1.12 -0.85 0.00 0.00 174.74 173.67 2jla s SER 133 N -0.77 4.44 0.08 1.40 0.01 -1.26 -1.26 113.70 116.33 2jla s SER 133 Ca 0.06 -2.22 -0.26 0.00 1.31 0.00 0.00 55.95 54.84 2jla s SER 133 Cb -0.07 -1.41 -0.06 0.00 0.21 0.00 0.00 66.02 64.68 2jla s SER 133 CO 0.00 -0.35 0.79 -0.63 0.41 0.00 0.00 173.24 173.46 2jla s ILE 134 N 0.82 4.62 -0.57 1.44 1.01 0.11 -4.96 121.20 123.66 2jla s ILE 134 Ca 0.12 1.70 0.04 0.00 0.00 0.00 0.00 60.65 62.51 2jla s ILE 134 Cb -0.20 -4.14 0.15 0.00 0.01 0.00 0.00 42.46 38.28 2jla s ILE 134 CO -0.10 0.39 0.37 -0.55 0.00 0.00 0.00 174.94 175.06 2jla s SER 135 N -0.30 4.06 0.43 3.58 0.15 -1.26 -1.29 113.70 119.07 2jla s SER 135 Ca 0.39 -3.32 -0.26 0.00 0.70 0.00 0.00 55.95 53.46 2jla s SER 135 Cb -0.21 -1.37 -0.09 0.00 -1.71 0.00 0.00 66.02 62.64 2jla s SER 135 CO 0.24 -0.16 1.43 -0.76 1.20 0.00 0.00 173.24 175.19 2jla s LEU 136 N -0.64 4.16 1.12 3.45 1.43 -0.52 -4.98 118.68 122.70 2jla s LEU 136 Ca 0.23 2.92 -0.16 0.00 -1.03 0.00 0.00 54.13 56.09 2jla s LEU 136 Cb -0.12 -3.88 0.25 0.00 0.03 0.00 0.00 46.19 42.46 2jla s LEU 136 CO -0.10 -1.09 1.09 -2.16 0.23 0.00 0.00 176.35 174.32 2jla s PRO 137 N -2.36 -0.59 0.24 1.29 0.04 -1.26 -4.48 135.00 127.88 2jla s PRO 137 Ca 0.59 0.25 -0.31 0.00 0.04 0.00 0.00 61.00 61.57 2jla s PRO 137 Cb -0.44 -1.64 -0.12 0.00 0.04 0.00 0.00 34.50 32.35 2jla s PRO 137 CO 0.57 -3.36 1.65 0.50 0.04 0.00 0.00 177.00 176.41 2jla s ARG 138 N -5.13 4.13 0.12 4.56 3.52 -1.26 -4.63 118.95 120.27 2jla s ARG 138 Ca 0.68 2.57 -0.31 0.00 -0.13 0.00 0.00 55.73 58.54 2jla s ARG 138 Cb -0.15 -3.06 -0.10 0.00 -1.56 0.00 0.00 34.95 30.08 2jla s ARG 138 CO 0.57 -0.69 1.66 -2.14 -0.81 0.00 0.00 175.30 173.90 2jla s PRO 139 N 0.48 4.19 0.02 5.12 0.02 -1.26 -5.01 135.00 138.56 2jla s PRO 139 Ca 0.70 2.41 -0.08 0.00 0.02 0.00 0.00 61.00 64.05 2jla s PRO 139 Cb -0.48 -3.41 0.00 0.00 0.02 0.00 0.00 34.50 30.63 2jla s PRO 139 CO 0.38 -0.71 0.15 -0.08 -0.33 0.00 0.00 177.00 176.42 2jla s THR 140 N 2.03 0.10 -0.94 0.99 -1.32 -1.26 -5.02 115.64 110.24 2jla s THR 140 Ca 0.74 -0.85 0.22 0.00 -1.21 0.00 0.00 61.69 60.59 2jla s THR 140 Cb -0.43 -0.72 0.20 0.00 -1.51 0.00 0.00 72.50 70.03 2jla s THR 140 CO 0.33 -0.47 1.71 0.00 -2.21 0.00 0.00 174.62 173.98 2jla n GLN 141 N 1.01 0.04 0.03 7.08 6.02 -1.26 -3.12 117.38 127.17 2jla n GLN 141 Ca -0.20 0.15 0.11 0.00 -0.01 0.00 0.00 57.00 57.05 2jla n GLN 141 Cb 0.57 -1.56 0.46 0.00 1.02 0.00 0.00 30.24 30.74 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 -1.62 0.19 -4.57 1.08 8.00 -1.26 -4.49 116.55 113.88 2jla n ASP 142 Ca 0.05 0.53 -0.36 0.00 0.71 0.00 0.00 54.79 55.73 2jla n ASP 142 Cb 0.27 -0.58 -0.11 0.00 -0.02 0.00 0.00 41.12 40.68 2jla n ASP 142 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jla s ILE 143 N -3.06 4.71 0.50 0.53 1.01 -1.18 -5.10 121.20 118.61 2jla s ILE 143 Ca 0.10 -0.05 -0.21 0.00 0.00 0.00 0.00 60.65 60.49 2jla s ILE 143 Cb 0.13 -3.17 -0.07 0.00 0.01 0.00 0.00 42.46 39.37 2jla s ILE 143 CO 0.42 0.39 1.14 -2.84 0.00 0.00 0.00 174.94 174.05 2jla s PRO 144 N 0.96 3.58 0.44 2.79 0.02 -1.26 -4.88 135.00 136.66 2jla s PRO 144 Ca 0.04 1.67 0.15 0.00 0.02 0.00 0.00 61.00 62.88 2jla s PRO 144 Cb -0.14 -2.20 1.08 0.00 0.02 0.00 0.00 34.50 33.26 2jla s PRO 144 CO 0.03 -0.67 1.97 0.00 -0.33 0.00 0.00 177.00 178.00 2jla h ALA 145 N 1.63 2.09 0.00 -1.55 0.00 -1.93 -0.54 119.26 118.96 2jla h ALA 145 Ca -0.50 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2jla h ALA 145 Cb 1.25 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2jla h ALA 145 CO 0.59 -0.24 -0.02 0.07 0.00 0.00 0.00 179.25 179.64 2jla h ARG 146 N 0.36 0.00 0.01 0.00 0.11 -1.91 0.13 114.38 113.08 2jla h ARG 146 Ca 0.29 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.37 2jla h ARG 146 Cb 0.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 2jla h ARG 146 CO -0.08 0.02 -0.00 2.35 0.10 0.00 0.00 179.97 182.36 2jla h TRP 147 N 0.00 -0.01 -0.26 4.08 7.01 -1.46 -1.04 115.95 124.27 2jla h TRP 147 Ca -0.00 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.03 2jla h TRP 147 Cb 0.04 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.07 2jla h TRP 147 CO 0.00 0.50 0.05 1.25 -2.79 0.00 0.00 178.44 177.46 2jla h LEU 148 N -0.53 0.02 -1.31 0.65 5.85 -1.32 0.07 115.31 118.73 2jla h LEU 148 Ca -0.00 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 2jla h LEU 148 Cb 0.52 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2jla h LEU 148 CO 0.00 0.04 -0.05 1.62 -0.34 0.00 0.00 178.44 179.71 2jla h VAL 149 N 0.15 1.18 -0.07 1.05 3.04 -0.85 -2.65 116.25 118.11 2jla h VAL 149 Ca 0.12 -0.77 -0.23 0.00 -1.01 0.00 0.00 66.70 64.81 2jla h VAL 149 Cb 0.12 1.05 0.01 0.00 -2.01 0.00 0.00 31.29 30.46 2jla h VAL 149 CO -0.15 0.25 -0.89 0.28 -1.01 0.00 0.00 177.57 176.05 2jla h SER 150 N 0.38 0.83 0.03 3.17 0.02 -0.73 -1.26 113.55 115.99 2jla h SER 150 Ca 0.08 -0.60 0.01 0.00 -0.84 0.00 0.00 61.79 60.44 2jla h SER 150 Cb 0.34 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2jla h SER 150 CO 0.01 1.39 -0.08 0.74 -1.14 0.00 0.00 176.83 177.76 2jla h THR 151 N 0.42 0.81 -0.32 -2.27 2.02 -0.88 0.51 112.91 113.21 2jla h THR 151 Ca -0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 2jla h THR 151 Cb 1.52 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 2jla h THR 151 CO 0.17 0.00 0.17 0.40 0.37 0.00 0.00 175.52 176.63 2jla h ILE 152 N -0.15 1.13 -0.62 3.11 2.04 -1.51 -2.13 117.51 119.38 2jla h ILE 152 Ca 0.02 -0.36 0.10 0.00 1.00 0.00 0.00 64.86 65.62 2jla h ILE 152 Cb 0.17 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 2jla h ILE 152 CO -0.06 0.14 0.41 0.44 0.00 0.00 0.00 178.15 179.08 2jla h ASP 153 N 0.39 0.40 0.12 1.72 3.45 -0.92 -0.63 116.42 120.96 2jla h ASP 153 Ca 0.11 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.57 2jla h ASP 153 Cb 0.07 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.76 2jla h ASP 153 CO -0.02 0.24 -0.06 -0.74 -1.57 0.00 0.00 179.24 177.09 2jla h HIS 154 N 0.44 -0.15 -0.78 4.55 2.76 -0.42 -2.10 115.15 119.45 2jla h HIS 154 Ca 0.28 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.59 2jla h HIS 154 Cb 0.53 0.05 -0.09 0.00 1.55 0.00 0.00 27.41 29.45 2jla h HIS 154 CO -0.00 0.31 0.35 0.00 -1.30 0.00 0.00 177.93 177.28 2jla h ALA 155 N 0.01 1.12 0.08 5.26 0.00 -0.88 -2.47 119.26 122.37 2jla h ALA 155 Ca -0.02 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 2jla h ALA 155 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2jla h ALA 155 CO 0.03 -0.16 -0.86 -0.07 0.00 0.00 0.00 179.25 178.19 2jla h LEU 156 N 0.51 0.25 -1.76 0.00 4.07 -1.19 -3.05 115.31 114.15 2jla h LEU 156 Ca 0.42 -0.87 0.00 0.00 0.08 0.00 0.00 57.88 57.51 2jla h LEU 156 Cb 0.61 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 2jla h LEU 156 CO -0.38 1.38 0.16 1.23 -1.08 0.00 0.00 178.44 179.75 2jla h GLY 157 N -0.49 0.34 -1.87 0.83 0.00 -1.37 -1.97 103.07 98.54 2jla h GLY 157 Ca -0.19 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2jla h GLY 157 CO 0.03 0.12 0.00 -1.30 0.00 0.00 0.00 176.54 175.40 2jla n THR 158 N -4.50 0.30 -2.32 4.70 -2.24 -0.93 -4.13 114.28 105.15 2jla n THR 158 Ca 0.01 -0.59 -0.40 0.00 -2.27 0.00 0.00 64.05 60.79 2jla n THR 158 Cb 0.07 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.26 2jla n THR 158 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2jla s LEU 159 N -1.66 3.24 0.01 3.22 2.96 -0.74 -4.85 118.68 120.86 2jla s LEU 159 Ca 0.35 -0.03 -0.25 0.00 -0.22 0.00 0.00 54.13 53.98 2jla s LEU 159 Cb 0.21 -2.62 -0.18 0.00 0.50 0.00 0.00 46.19 44.10 2jla s LEU 159 CO 0.31 -2.04 1.34 -0.74 -1.32 0.00 0.00 176.35 173.90 2jla h HIS 160 N 12.14 -0.08 -2.88 5.38 -0.00 -1.88 -3.48 115.15 124.34 2jla h HIS 160 Ca -0.27 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.17 2jla h HIS 160 Cb 1.10 0.03 -0.07 0.00 -0.00 0.00 0.00 27.41 28.47 2jla h HIS 160 CO 1.08 0.28 0.27 0.00 -0.00 0.00 0.00 177.93 179.56 2jla s ALA 161 N -4.73 -1.37 0.00 5.26 0.00 -1.26 -5.06 121.76 114.60 2jla s ALA 161 Ca -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2jla s ALA 161 Cb 0.03 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.96 2jla s ALA 161 CO 0.64 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.83 2jla n GLY 162 N -0.44 -0.09 3.88 0.00 0.00 0.27 -4.76 105.19 104.05 2jla n GLY 162 Ca -0.07 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.35 1.74 -0.06 -0.02 0.00 -1.25 -3.76 107.32 102.62 2jla s GLY 163 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 44.72 44.48 2jla s GLY 163 CO 0.00 -0.08 -0.19 0.14 0.00 0.00 0.00 173.10 172.97 2jla s VAL 164 N -2.64 1.61 -0.29 1.40 1.01 0.18 -0.11 120.40 121.57 2jla s VAL 164 Ca 0.51 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.60 2jla s VAL 164 Cb -0.10 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 2jla s VAL 164 CO 0.40 0.46 0.16 -2.28 0.00 0.00 0.00 175.10 173.83 2jla s HIS 165 N 0.19 3.18 -0.42 5.22 2.46 -0.39 0.30 115.29 125.83 2jla s HIS 165 Ca -0.09 -0.21 -0.03 0.00 0.47 0.00 0.00 55.06 55.20 2jla s HIS 165 Cb -0.14 -2.35 0.11 0.00 -0.13 0.00 0.00 32.58 30.07 2jla s HIS 165 CO 0.04 -0.30 0.22 0.42 -2.47 0.00 0.00 174.74 172.66 2jla s ILE 166 N 1.69 3.36 -0.09 0.89 1.01 0.18 0.04 121.20 128.28 2jla s ILE 166 Ca 0.06 -2.08 -0.26 0.00 0.00 0.00 0.00 60.65 58.37 2jla s ILE 166 Cb -0.16 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.99 2jla s ILE 166 CO 0.08 -0.71 0.82 0.21 0.00 0.00 0.00 174.94 175.35 2jla s ASN 167 N 1.82 7.07 -0.44 3.58 2.47 -0.41 -1.18 114.94 127.86 2jla s ASN 167 Ca 0.09 1.30 0.02 0.00 0.42 0.00 0.00 52.86 54.69 2jla s ASN 167 Cb -0.23 -2.47 0.13 0.00 -1.45 0.00 0.00 41.25 37.23 2jla s ASN 167 CO -0.04 -0.26 0.22 0.00 -3.72 0.00 0.00 177.10 173.29 2jla s PRO 169 N 0.36 3.93 -0.04 0.00 0.02 -1.26 -1.73 135.00 136.27 2jla s PRO 169 Ca 0.16 2.32 -0.01 0.00 0.02 0.00 0.00 61.00 63.50 2jla s PRO 169 Cb -0.24 -2.78 0.03 0.00 0.02 0.00 0.00 34.50 31.53 2jla s PRO 169 CO -0.03 -0.59 0.03 -0.06 -0.33 0.00 0.00 177.00 176.03 2jla s PHE 170 N -1.21 0.24 0.60 6.54 0.40 -0.43 -4.55 117.98 119.57 2jla s PHE 170 Ca 0.57 0.09 -0.15 0.00 -0.60 0.00 0.00 56.93 56.84 2jla s PHE 170 Cb -0.42 -0.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.58 2jla s PHE 170 CO 0.54 -0.19 1.05 0.00 0.70 0.00 0.00 175.22 177.32 2jla s ALA 171 N 1.71 2.79 -0.62 5.36 0.00 -1.26 -3.64 121.76 126.10 2jla s ALA 171 Ca -0.00 0.31 -0.00 0.00 0.00 0.00 0.00 51.96 52.26 2jla s ALA 171 Cb -0.13 -3.20 0.16 0.00 0.00 0.00 0.00 23.12 19.95 2jla s ALA 171 CO -0.03 -0.78 0.41 -2.00 0.00 0.00 0.00 175.76 173.36 2jla s GLU 172 N -4.23 2.43 -0.26 0.00 2.12 -1.26 -4.62 118.70 112.88 2jla s GLU 172 Ca 0.62 -2.68 -0.06 0.00 0.36 0.00 0.00 54.97 53.21 2jla s GLU 172 Cb -0.15 -3.60 -0.00 0.00 0.26 0.00 0.00 34.13 30.64 2jla s GLU 172 CO 0.39 -1.17 0.03 -2.14 -0.54 0.00 0.00 175.26 171.83 2jla s PRO 173 N -0.34 3.26 0.06 4.30 0.02 -1.26 -5.04 135.00 136.00 2jla s PRO 173 Ca 0.18 -0.73 0.22 0.00 0.02 0.00 0.00 61.00 60.70 2jla s PRO 173 Cb -0.20 -3.22 -0.19 0.00 0.02 0.00 0.00 34.50 30.91 2jla s PRO 173 CO -0.04 -0.32 0.73 1.28 -0.33 0.00 0.00 177.00 178.33 2jla n LEU 174 N 4.84 0.37 -4.51 -5.54 4.77 -1.26 -3.24 117.00 112.42 2jla n LEU 174 Ca -0.16 0.11 -0.25 0.00 -0.03 0.00 0.00 56.01 55.68 2jla n LEU 174 Cb 0.49 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 2jla n LEU 174 CO 0.30 -0.06 -0.42 -0.31 -1.33 0.00 0.00 177.39 175.56 2jla s TYR 175 N -3.43 2.36 -5.00 -1.77 1.51 -1.26 -4.82 117.35 104.93 2jla s TYR 175 Ca -0.04 -0.42 0.00 0.00 -1.01 0.00 0.00 57.07 55.60 2jla s TYR 175 Cb 0.12 -1.21 0.00 0.00 -0.11 0.00 0.00 41.96 40.76 2jla s TYR 175 CO 0.86 0.64 0.00 0.41 -1.11 0.00 0.00 175.55 176.35 2jla n GLY 176 N -0.72 0.18 0.00 0.71 0.00 -1.26 -4.82 105.19 99.27 2jla n GLY 176 Ca -0.05 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2jla n GLY 176 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jla n GLU 177 N 0.00 0.00 0.00 1.61 -0.58 -1.26 -5.04 120.64 115.37 2jla n GLU 177 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2jla n GLU 177 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2jla n GLU 177 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2jla n ASP 179 N 0.00 0.00 -1.57 1.62 5.68 -1.26 -4.67 116.55 116.35 2jla n ASP 179 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2jla n ASP 179 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2jla n ASP 179 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2jla n ASP 180 N 0.00 3.99 -4.68 -1.12 3.85 -1.26 -4.82 116.55 112.51 2jla n ASP 180 Ca 0.00 -2.05 -0.44 0.00 -0.71 0.00 0.00 54.79 51.59 2jla n ASP 180 Cb 0.00 -0.84 -0.02 0.00 -1.35 0.00 0.00 41.12 38.91 2jla n ASP 180 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 2jla n THR 181 N 1.55 1.05 -0.03 2.12 -1.04 -1.26 -2.85 114.28 113.82 2jla n THR 181 Ca 0.00 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 2jla n THR 181 Cb 0.38 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.37 2jla n THR 181 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jla n GLY 182 N 2.03 2.74 0.25 3.41 0.00 -1.26 -4.53 105.19 107.83 2jla n GLY 182 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 0.74 -0.36 0.99 7.12 -1.89 0.20 115.31 122.12 2jla h LEU 183 Ca 0.00 -0.11 0.05 0.00 0.13 0.00 0.00 57.88 57.95 2jla h LEU 183 Cb 0.00 -0.19 -0.05 0.00 -0.53 0.00 0.00 40.66 39.89 2jla h LEU 183 CO 0.00 0.65 0.07 -1.28 -0.13 0.00 0.00 178.44 177.75 2jla h SER 184 N 0.78 0.02 -0.71 1.25 0.87 -1.89 -0.59 113.55 113.28 2jla h SER 184 Ca 0.20 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 2jla h SER 184 Cb 0.09 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 2jla h SER 184 CO -0.03 0.05 0.35 -0.25 -0.53 0.00 0.00 176.83 176.42 2jla h TRP 185 N 0.20 1.01 -0.78 2.24 7.01 -1.81 -0.24 115.95 123.58 2jla h TRP 185 Ca 0.17 -0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.10 2jla h TRP 185 Cb 0.19 -0.32 -0.04 0.00 -2.10 0.00 0.00 29.16 26.90 2jla h TRP 185 CO -0.19 0.74 0.37 1.96 -2.79 0.00 0.00 178.44 178.54 2jla h GLN 186 N 0.99 1.12 0.00 2.65 4.20 -0.79 -3.05 115.11 120.23 2jla h GLN 186 Ca 0.25 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2jla h GLN 186 Cb 0.10 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.68 2jla h GLN 186 CO -0.03 0.87 0.00 1.04 -0.67 0.00 0.00 178.83 180.04 2jla n GLN 187 N -4.37 0.15 0.00 1.46 6.02 -0.15 -2.42 117.38 118.07 2jla n GLN 187 Ca 0.07 0.39 0.07 0.00 -0.01 0.00 0.00 57.00 57.52 2jla n GLN 187 Cb 0.14 -1.78 0.41 0.00 1.02 0.00 0.00 30.24 30.02 2jla n GLN 187 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jla n ARG 188 N -2.06 0.39 0.00 -1.09 1.74 -0.93 -1.80 116.66 112.92 2jla n ARG 188 Ca 0.02 0.04 0.13 0.00 -0.77 0.00 0.00 57.85 57.27 2jla n ARG 188 Cb 0.21 -1.50 0.29 0.00 -1.02 0.00 0.00 32.46 30.45 2jla n ARG 188 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2jla n LEU 189 N -1.07 1.71 0.00 0.55 4.77 -1.01 -4.97 117.00 116.98 2jla n LEU 189 Ca 0.10 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 2jla n LEU 189 Cb 0.06 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2jla n LEU 189 CO 0.09 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2jla n GLY 190 N 1.31 2.33 0.26 -0.72 0.00 -0.74 -2.84 105.19 104.79 2jla n GLY 190 Ca 0.14 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2jla n GLY 190 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jla n ASP 191 N -0.22 0.58 0.25 1.61 5.68 -1.26 -2.84 116.55 120.34 2jla n ASP 191 Ca 0.00 -2.01 0.10 0.00 -0.50 0.00 0.00 54.79 52.38 2jla n ASP 191 Cb 0.00 -0.22 0.67 0.00 -1.14 0.00 0.00 41.12 40.43 2jla n ASP 191 CO 0.00 0.00 0.00 -0.25 -1.33 0.00 0.00 177.20 175.62 2jla h TRP 192 N 0.16 0.00 0.00 2.11 7.01 -1.92 -2.10 115.95 121.21 2jla h TRP 192 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2jla h TRP 192 Cb 0.25 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.31 2jla h TRP 192 CO 0.03 0.12 0.00 0.91 -2.79 0.00 0.00 178.44 176.71 2jla n TRP 193 N -3.95 0.67 0.16 2.65 7.02 -1.13 -2.40 117.44 120.45 2jla n TRP 193 Ca -0.02 0.30 0.02 0.00 -1.02 0.00 0.00 57.50 56.78 2jla n TRP 193 Cb 0.21 -0.98 0.02 0.00 -2.42 0.00 0.00 31.31 28.15 2jla n TRP 193 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 2jla n GLN 194 N -2.14 0.05 -2.24 -0.99 3.00 -0.81 -5.05 117.38 109.19 2jla n GLN 194 Ca 0.01 -0.89 -0.26 0.00 -0.01 0.00 0.00 57.00 55.85 2jla n GLN 194 Cb 0.14 -1.09 0.06 0.00 0.00 0.00 0.00 30.24 29.35 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 -0.46 4.96 0.00 1.08 3.68 -1.01 -5.03 116.67 119.89 2jla s ASP 195 Ca 0.06 0.50 0.06 0.00 2.13 0.00 0.00 52.55 55.30 2jla s ASP 195 Cb 0.04 -1.22 0.14 0.00 -1.45 0.00 0.00 42.92 40.43 2jla s ASP 195 CO 0.06 -1.50 1.02 -0.90 0.13 0.00 0.00 175.17 173.98 2jla n ASP 196 N -2.86 2.24 -4.62 -0.34 5.75 -1.26 -5.02 116.55 110.45 2jla n ASP 196 Ca 0.07 -1.80 -0.25 0.00 -0.01 0.00 0.00 54.79 52.80 2jla n ASP 196 Cb 0.60 -0.09 -0.09 0.00 -1.03 0.00 0.00 41.12 40.51 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 -0.87 2.02 0.69 0.11 1.02 -1.26 -4.77 119.74 116.69 2jla s LYS 197 Ca 0.11 -1.81 -0.15 0.00 0.02 0.00 0.00 55.97 54.14 2jla s LYS 197 Cb 0.06 -1.87 0.02 0.00 -0.52 0.00 0.00 37.83 35.52 2jla s LYS 197 CO 0.08 0.12 1.17 -2.14 -0.92 0.00 0.00 175.35 173.66 2jla s PRO 198 N -3.70 2.43 0.17 -1.68 0.02 -1.26 -4.89 135.00 126.09 2jla s PRO 198 Ca 0.35 1.63 -0.14 0.00 0.02 0.00 0.00 61.00 62.85 2jla s PRO 198 Cb 0.01 -1.88 0.10 0.00 0.02 0.00 0.00 34.50 32.75 2jla s PRO 198 CO 0.19 -1.58 1.78 2.35 -0.33 0.00 0.00 177.00 179.40 2jla h TRP 199 N -0.09 0.40 -3.72 6.54 2.91 -1.96 -3.38 115.95 116.65 2jla h TRP 199 Ca -0.47 0.02 -0.64 0.00 1.13 0.00 0.00 58.89 58.92 2jla h TRP 199 Cb 1.28 -0.11 -0.38 0.00 -0.51 0.00 0.00 29.16 29.43 2jla h TRP 199 CO 0.50 0.20 -0.78 -1.17 -1.03 0.00 0.00 178.44 176.16 2jla s LEU 200 N -10.27 3.38 -0.39 0.65 1.98 -1.26 -5.09 118.68 107.68 2jla s LEU 200 Ca -0.13 -1.50 -0.22 0.00 -2.89 0.00 0.00 54.13 49.39 2jla s LEU 200 Cb 0.13 -1.41 0.01 0.00 0.66 0.00 0.00 46.19 45.58 2jla s LEU 200 CO 0.73 -0.26 0.71 0.00 -1.89 0.00 0.00 176.35 175.64 2jla s ARG 201 N 1.18 3.58 -0.33 1.98 1.70 -1.26 -4.70 118.95 121.09 2jla s ARG 201 Ca -0.03 0.03 -0.01 0.00 -0.47 0.00 0.00 55.73 55.25 2jla s ARG 201 Cb -0.19 -3.86 0.11 0.00 -0.57 0.00 0.00 34.95 30.44 2jla s ARG 201 CO -0.07 -0.89 0.15 -2.00 -1.08 0.00 0.00 175.30 171.40 2jla s GLU 202 N 2.96 0.69 -0.42 3.89 2.12 -1.26 -5.05 118.70 121.62 2jla s GLU 202 Ca 0.27 -1.17 0.07 0.00 0.36 0.00 0.00 54.97 54.50 2jla s GLU 202 Cb -0.14 -1.78 0.23 0.00 0.26 0.00 0.00 34.13 32.70 2jla s GLU 202 CO 0.18 -1.06 0.55 0.00 -0.54 0.00 0.00 175.26 174.39 2jla n ALA 203 N 4.58 1.66 -1.87 6.30 0.00 -1.26 -3.07 120.51 126.86 2jla n ALA 203 Ca 0.01 -2.87 -0.41 0.00 0.00 0.00 0.00 53.44 50.17 2jla n ALA 203 Cb 0.40 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.47 4.41 0.29 0.00 0.04 -1.26 -5.02 135.00 132.98 2jla s PRO 204 Ca 0.34 2.09 -0.28 0.00 0.04 0.00 0.00 61.00 63.18 2jla s PRO 204 Cb 0.14 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.44 2jla s PRO 204 CO -0.15 -0.16 1.05 1.03 0.04 0.00 0.00 177.00 178.81 2jla s ARG 205 N -1.00 4.60 -0.27 4.56 0.52 -1.26 -4.99 118.95 121.11 2jla s ARG 205 Ca 0.52 1.66 0.00 0.00 -0.52 0.00 0.00 55.73 57.39 2jla s ARG 205 Cb -0.37 -3.07 0.05 0.00 0.52 0.00 0.00 34.95 32.07 2jla s ARG 205 CO 0.45 0.22 -0.07 -1.17 0.02 0.00 0.00 175.30 174.75 2jla s LEU 206 N -1.63 3.53 -0.07 2.53 2.96 -1.26 -5.10 118.68 119.64 2jla s LEU 206 Ca 0.46 -1.25 -0.11 0.00 -0.22 0.00 0.00 54.13 53.01 2jla s LEU 206 Cb -0.28 -1.62 0.02 0.00 0.50 0.00 0.00 46.19 44.81 2jla s LEU 206 CO 0.36 -0.20 0.28 -0.70 -1.32 0.00 0.00 176.35 174.77 2jla s GLU 207 N 1.20 0.46 0.46 1.98 2.12 -1.26 -4.77 118.70 118.88 2jla s GLU 207 Ca -0.06 0.14 -0.21 0.00 0.36 0.00 0.00 54.97 55.21 2jla s GLU 207 Cb -0.19 0.21 -0.09 0.00 0.26 0.00 0.00 34.13 34.32 2jla s GLU 207 CO -0.04 -0.09 1.01 -1.12 -0.54 0.00 0.00 175.26 174.48 2jla s SER 208 N -0.46 6.56 0.68 -1.70 0.01 0.25 -4.97 113.70 114.06 2jla s SER 208 Ca -0.06 1.85 -0.11 0.00 1.31 0.00 0.00 55.95 58.94 2jla s SER 208 Cb -0.04 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.64 2jla s SER 208 CO 0.02 -0.63 1.07 -1.61 0.41 0.00 0.00 173.24 172.50 2jla s GLU 209 N -3.18 3.08 0.04 12.44 2.02 -1.26 -4.91 118.70 126.92 2jla s GLU 209 Ca 0.65 0.59 -0.31 0.00 0.02 0.00 0.00 54.97 55.92 2jla s GLU 209 Cb -0.14 -2.04 -0.10 0.00 0.10 0.00 0.00 34.13 31.95 2jla s GLU 209 CO 0.18 -0.90 1.90 1.17 0.02 0.00 0.00 175.26 177.63 2jla n LYS 210 N -2.94 2.67 -1.81 1.61 4.81 -1.26 -4.89 118.16 116.35 2jla n LYS 210 Ca 0.07 0.98 -0.38 0.00 -0.87 0.00 0.00 58.31 58.10 2jla n LYS 210 Cb 0.56 -2.89 -0.03 0.00 0.02 0.00 0.00 35.03 32.69 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 3.76 2.44 0.13 1.64 -1.52 -1.26 -4.86 119.66 120.00 2jla s GLN 211 Ca 0.88 1.06 0.16 0.00 -1.95 0.00 0.00 55.36 55.50 2jla s GLN 211 Cb -0.51 -4.47 0.71 0.00 -0.22 0.00 0.00 33.01 28.52 2jla s GLN 211 CO 0.43 -2.91 1.49 0.54 -0.25 0.00 0.00 175.29 174.58 2jla n ARG 212 N 9.05 0.08 -0.35 2.91 1.74 -1.26 -1.94 116.66 126.90 2jla n ARG 212 Ca 0.28 0.41 0.08 0.00 -0.77 0.00 0.00 57.85 57.86 2jla n ARG 212 Cb 0.53 -1.69 0.25 0.00 -1.02 0.00 0.00 32.46 30.53 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 -1.86 3.68 -0.20 0.55 5.75 -1.26 -4.70 116.55 118.51 2jla n ASP 213 Ca 0.02 -2.20 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 2jla n ASP 213 Cb 0.14 -0.40 0.09 0.00 -1.03 0.00 0.00 41.12 39.92 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 3.02 -0.04 -0.53 2.11 2.91 -1.80 0.21 115.95 121.84 2jla h TRP 214 Ca 0.00 0.04 0.15 0.00 1.13 0.00 0.00 58.89 60.22 2jla h TRP 214 Cb 1.02 0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 29.76 2jla h TRP 214 CO 0.44 -0.16 0.46 0.74 -1.03 0.00 0.00 178.44 178.89 2jla h PHE 215 N 0.12 0.00 0.00 2.65 -1.00 -1.85 0.21 116.94 117.07 2jla h PHE 215 Ca 0.31 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.09 2jla h PHE 215 Cb 0.50 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.06 2jla h PHE 215 CO -0.36 0.00 -0.00 0.35 -1.61 0.00 0.00 178.31 176.69 2jla h PHE 216 N 0.00 -0.00 -0.11 -0.55 3.04 -1.32 -3.37 116.94 114.64 2jla h PHE 216 Ca 0.25 -0.00 -0.15 0.00 3.98 0.00 0.00 57.97 62.05 2jla h PHE 216 Cb 1.17 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.67 2jla h PHE 216 CO 0.00 0.87 -0.60 -1.49 -2.02 0.00 0.00 178.31 175.07 2jla h TRP 217 N -0.89 0.46 0.00 0.41 4.06 -1.00 -3.10 115.95 115.88 2jla h TRP 217 Ca -0.00 -0.17 0.00 0.00 2.06 0.00 0.00 58.89 60.78 2jla h TRP 217 Cb 0.87 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.95 2jla h TRP 217 CO 0.23 0.86 0.34 -0.09 -3.56 0.00 0.00 178.44 176.23 2jla h ARG 218 N 0.27 0.00 -0.03 0.49 2.43 -0.77 -0.13 114.38 116.64 2jla h ARG 218 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jla h ARG 218 Cb 1.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2jla h ARG 218 CO 0.10 0.00 -0.00 1.04 -1.51 0.00 0.00 179.97 179.60 2jla n GLN 219 N -2.46 1.80 -2.55 0.20 6.02 -1.17 -4.94 117.38 114.27 2jla n GLN 219 Ca -0.01 -1.70 -0.24 0.00 -0.01 0.00 0.00 57.00 55.04 2jla n GLN 219 Cb 0.38 -1.39 0.13 0.00 1.02 0.00 0.00 30.24 30.38 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 -1.69 1.43 -0.71 -1.09 -0.14 -0.06 -4.99 119.74 112.48 2jla s LYS 220 Ca 0.24 -1.17 -0.27 0.00 -1.36 0.00 0.00 55.97 53.41 2jla s LYS 220 Cb 0.17 -2.28 0.04 0.00 -1.68 0.00 0.00 37.83 34.07 2jla s LYS 220 CO 0.26 -1.65 1.23 1.03 -0.76 0.00 0.00 175.35 175.45 2jla s ARG 221 N -5.25 3.21 0.30 1.68 0.52 -1.26 -4.96 118.95 113.19 2jla s ARG 221 Ca 0.69 -0.27 0.09 0.00 -0.52 0.00 0.00 55.73 55.71 2jla s ARG 221 Cb -0.04 -4.17 -0.04 0.00 0.52 0.00 0.00 34.95 31.22 2jla s ARG 221 CO 0.46 -2.06 0.08 0.20 0.02 0.00 0.00 175.30 174.00 2jla s GLY 222 N 3.65 1.79 -0.05 -3.53 0.00 -1.26 0.85 107.32 108.77 2jla s GLY 222 Ca 0.34 -1.73 0.04 0.00 0.00 0.00 0.00 44.72 43.36 2jla s GLY 222 CO 0.15 -1.73 -0.16 0.14 0.00 0.00 0.00 173.10 171.50 2jla s VAL 223 N -2.37 1.39 -0.23 1.40 1.01 -0.81 -3.98 120.40 116.82 2jla s VAL 223 Ca 0.34 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.53 2jla s VAL 223 Cb -0.04 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 2jla s VAL 223 CO 0.21 0.41 0.27 -0.69 0.00 0.00 0.00 175.10 175.30 2jla s VAL 224 N 0.25 5.28 -0.19 2.92 1.01 -0.23 -1.32 120.40 128.12 2jla s VAL 224 Ca -0.09 0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 2jla s VAL 224 Cb -0.13 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 2jla s VAL 224 CO 0.03 0.28 -0.02 -0.69 0.00 0.00 0.00 175.10 174.70 2jla s VAL 225 N 1.34 3.80 -0.35 2.92 1.01 -0.90 -0.14 120.40 128.08 2jla s VAL 225 Ca 0.12 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 2jla s VAL 225 Cb -0.14 -2.70 0.08 0.00 0.00 0.00 0.00 36.38 33.61 2jla s VAL 225 CO 0.07 0.44 0.09 0.00 0.00 0.00 0.00 175.10 175.70 2jla s ALA 226 N 0.93 2.96 0.56 5.51 0.00 -0.43 -0.99 121.76 130.31 2jla s ALA 226 Ca 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 51.96 49.78 2jla s ALA 226 Cb -0.14 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.85 2jla s ALA 226 CO 0.01 -1.55 0.00 0.41 0.00 0.00 0.00 175.76 174.64 2jla n GLY 227 N 4.55 1.33 3.76 0.00 0.00 0.62 -0.79 105.19 114.67 2jla n GLY 227 Ca -0.06 -1.67 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 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 1.75 4.44 0.56 1.61 3.52 -0.40 -3.03 118.95 127.41 2jla s ARG 228 Ca 0.00 1.90 -0.09 0.00 -0.13 0.00 0.00 55.73 57.41 2jla s ARG 228 Cb 0.00 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.31 2jla s ARG 228 CO 0.00 0.00 0.93 -1.54 -0.81 0.00 0.00 175.30 173.88 2jla s SER 230 N -0.86 6.24 0.23 -2.12 1.04 -1.26 -3.66 113.70 113.30 2jla s SER 230 Ca 0.48 1.22 -0.07 0.00 0.48 0.00 0.00 55.95 58.07 2jla s SER 230 Cb -0.33 -2.38 0.35 0.00 0.10 0.00 0.00 66.02 63.76 2jla s SER 230 CO 0.43 -0.75 1.77 0.00 0.98 0.00 0.00 173.24 175.67 2jla h ALA 231 N -0.10 0.99 -0.57 5.32 0.00 -1.87 -0.77 119.26 122.26 2jla h ALA 231 Ca -0.45 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 2jla h ALA 231 Cb 1.20 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2jla h ALA 231 CO 0.62 -0.07 -0.02 0.93 0.00 0.00 0.00 179.25 180.71 2jla h GLU 232 N 0.58 1.01 -0.39 0.00 4.39 -1.94 -2.80 114.58 115.43 2jla h GLU 232 Ca 0.36 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2jla h GLU 232 Cb 0.40 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2jla h GLU 232 CO -0.28 1.00 0.25 0.93 -1.16 0.00 0.00 179.01 179.75 2jla h GLU 233 N 0.92 0.53 -0.61 2.33 5.08 -1.78 -2.76 114.58 118.29 2jla h GLU 233 Ca 0.16 -0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.61 2jla h GLU 233 Cb 0.57 -0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.60 2jla h GLU 233 CO 0.03 0.37 -0.00 0.78 -1.00 0.00 0.00 179.01 179.19 2jla h GLY 234 N 0.53 0.64 0.82 -3.84 0.00 -0.90 0.12 103.07 100.43 2jla h GLY 234 Ca 0.14 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.57 2jla h GLY 234 CO -0.03 -0.20 -0.11 0.50 0.00 0.00 0.00 176.54 176.70 2jla h LYS 235 N 0.11 -0.22 -0.54 4.80 1.57 -1.35 -1.61 116.57 119.33 2jla h LYS 235 Ca 0.32 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.17 2jla h LYS 235 Cb 0.51 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 2jla h LYS 235 CO -0.52 -0.15 0.24 0.87 -0.57 0.00 0.00 179.45 179.32 2jla h LYS 236 N -0.23 0.45 -0.31 3.15 1.57 -1.06 -2.12 116.57 118.01 2jla h LYS 236 Ca 0.02 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2jla h LYS 236 Cb 0.24 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 2jla h LYS 236 CO -0.06 0.30 0.09 0.28 -0.57 0.00 0.00 179.45 179.49 2jla h VAL 237 N 0.46 0.89 -0.32 0.50 2.07 -0.62 -0.77 116.25 118.46 2jla h VAL 237 Ca 0.25 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.77 2jla h VAL 237 Cb 0.22 0.66 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 2jla h VAL 237 CO -0.21 0.04 -0.22 0.00 0.02 0.00 0.00 177.57 177.20 2jla h ALA 238 N 1.21 -0.01 -0.60 1.67 0.00 -0.80 0.51 119.26 121.24 2jla h ALA 238 Ca 0.14 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.21 2jla h ALA 238 Cb 0.13 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2jla h ALA 238 CO -0.16 -0.61 0.33 1.25 0.00 0.00 0.00 179.25 180.05 2jla h LEU 239 N -0.18 0.49 -0.03 0.00 7.12 -0.91 -2.01 115.31 119.80 2jla h LEU 239 Ca 0.16 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.19 2jla h LEU 239 Cb 0.44 -0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 40.49 2jla h LEU 239 CO -0.43 0.33 -0.01 -0.25 -0.13 0.00 0.00 178.44 177.95 2jla h TRP 240 N 0.62 0.07 -0.55 1.25 7.01 -0.57 -1.57 115.95 122.22 2jla h TRP 240 Ca 0.26 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.31 2jla h TRP 240 Cb 0.14 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.13 2jla h TRP 240 CO -0.08 0.43 0.24 0.00 -2.79 0.00 0.00 178.44 176.24 2jla h ALA 241 N 0.63 0.70 -0.47 2.65 0.00 -0.86 -1.97 119.26 119.95 2jla h ALA 241 Ca 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jla h ALA 241 Cb 0.41 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2jla h ALA 241 CO 0.00 -0.13 0.25 0.37 0.00 0.00 0.00 179.25 179.75 2jla h GLN 242 N 0.46 0.66 -0.38 0.00 4.15 -1.28 -2.22 115.11 116.50 2jla h GLN 242 Ca 0.26 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.61 2jla h GLN 242 Cb 0.23 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2jla h GLN 242 CO -0.22 0.53 0.23 1.15 -1.93 0.00 0.00 178.83 178.59 2jla h THR 243 N 0.62 1.05 0.00 2.39 2.02 -0.80 -0.39 112.91 117.81 2jla h THR 243 Ca 0.17 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2jla h THR 243 Cb 0.06 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 2jla h THR 243 CO -0.03 0.09 -0.05 -0.07 0.37 0.00 0.00 175.52 175.83 2jla h LEU 244 N 0.47 0.00 0.62 2.58 3.38 -1.21 0.00 115.31 121.15 2jla h LEU 244 Ca 0.15 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 2jla h LEU 244 Cb -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2jla h LEU 244 CO -0.06 0.05 -0.15 0.61 0.09 0.00 0.00 178.44 178.98 2jla n GLY 245 N -0.69 0.56 3.80 0.83 0.00 -0.15 -4.34 105.19 105.20 2jla n GLY 245 Ca -0.02 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.30 3.77 0.17 1.61 0.52 -0.89 -3.12 118.94 118.71 2jla s TRP 246 Ca 0.00 1.24 -0.33 0.00 0.02 0.00 0.00 56.10 57.03 2jla s TRP 246 Cb 0.00 -2.51 -0.12 0.00 -1.15 0.00 0.00 33.47 29.69 2jla s TRP 246 CO 0.00 0.54 1.71 -0.35 0.02 0.00 0.00 176.95 178.87 2jla n PRO 247 N 1.96 2.58 -3.48 4.98 -0.04 -1.26 -4.56 135.00 135.18 2jla n PRO 247 Ca -0.10 0.93 -0.41 0.00 -0.04 0.00 0.00 63.50 63.88 2jla n PRO 247 Cb 0.51 -2.76 -0.10 0.00 -0.04 0.00 0.00 33.50 31.10 2jla n PRO 247 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2jla s LEU 248 N 1.49 4.65 -0.45 1.53 2.96 -1.26 -1.07 118.68 126.54 2jla s LEU 248 Ca 0.78 -0.51 -0.19 0.00 -0.22 0.00 0.00 54.13 53.99 2jla s LEU 248 Cb -0.56 -2.19 0.03 0.00 0.50 0.00 0.00 46.19 43.97 2jla s LEU 248 CO 0.35 -0.32 0.57 -0.63 -1.32 0.00 0.00 176.35 175.01 2jla s ILE 249 N 1.78 4.92 -0.21 6.68 1.01 0.81 -4.29 121.20 131.90 2jla s ILE 249 Ca 0.07 -0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 2jla s ILE 249 Cb -0.18 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 2jla s ILE 249 CO 0.11 -0.59 0.06 -0.83 0.00 0.00 0.00 174.94 173.69 2jla s GLY 250 N 2.10 1.83 0.68 6.18 0.00 -1.26 -1.31 107.32 115.54 2jla s GLY 250 Ca 0.17 -0.92 -0.11 0.00 0.00 0.00 0.00 44.72 43.87 2jla s GLY 250 CO 0.16 0.25 1.05 -0.35 0.00 0.00 0.00 173.10 174.21 2jla s ASP 251 N 0.92 5.55 0.36 1.64 2.15 0.03 -4.89 116.67 122.43 2jla s ASP 251 Ca 0.03 1.58 0.14 0.00 0.43 0.00 0.00 52.55 54.73 2jla s ASP 251 Cb -0.14 -2.49 0.98 0.00 -0.30 0.00 0.00 42.92 40.97 2jla s ASP 251 CO 0.03 -1.33 1.76 0.58 -0.17 0.00 0.00 175.17 176.04 2jla h VAL 252 N -0.62 0.56 0.00 1.11 2.07 -1.88 0.10 116.25 117.59 2jla h VAL 252 Ca -0.44 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2jla h VAL 252 Cb 1.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2jla h VAL 252 CO 0.58 0.09 -0.01 0.18 0.02 0.00 0.00 177.57 178.44 2jla n LEU 253 N -4.73 0.15 -0.12 2.57 4.77 -1.26 -3.98 117.00 114.41 2jla n LEU 253 Ca 0.25 0.51 -0.12 0.00 -0.03 0.00 0.00 56.01 56.62 2jla n LEU 253 Cb 0.78 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2jla n LEU 253 CO 0.22 -0.03 0.58 0.77 -1.33 0.00 0.00 177.39 177.60 2jla h SER 254 N 0.00 0.96 -1.53 -1.43 4.64 -0.70 -3.40 113.55 112.09 2jla h SER 254 Ca 0.00 -0.42 -0.35 0.00 -0.47 0.00 0.00 61.79 60.55 2jla h SER 254 Cb 0.54 -0.27 -0.09 0.00 -0.31 0.00 0.00 62.40 62.28 2jla h SER 254 CO 0.00 1.21 -0.37 0.00 -0.87 0.00 0.00 176.83 176.79 2jla n GLN 255 N -4.07 -1.27 0.25 4.77 6.02 -1.26 -4.00 117.38 117.83 2jla n GLN 255 Ca -0.02 0.99 0.15 0.00 -0.01 0.00 0.00 57.00 58.11 2jla n GLN 255 Cb 0.52 -5.32 0.47 0.00 1.02 0.00 0.00 30.24 26.93 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 0.02 0.00 5.09 1.35 -1.86 0.58 112.91 118.09 2jla h THR 256 Ca -0.38 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 2jla h THR 256 Cb 1.20 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 2jla h THR 256 CO 0.50 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 2jla n GLY 257 N 0.48 3.46 3.23 5.82 0.00 -1.25 -4.53 105.19 112.40 2jla n GLY 257 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.93 -1.81 0.32 1.61 6.02 -1.26 -4.62 117.38 115.71 2jla n GLN 258 Ca 0.00 1.53 0.19 0.00 -0.01 0.00 0.00 57.00 58.71 2jla n GLN 258 Cb 0.00 -4.32 1.06 0.00 1.02 0.00 0.00 30.24 28.01 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 1.10 0.00 -2.57 -1.09 0.13 -1.85 -3.15 132.00 124.56 2jla h PRO 259 Ca -0.24 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.28 2jla h PRO 259 Cb 1.16 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.88 2jla h PRO 259 CO 0.27 0.00 -0.54 1.28 -0.23 0.00 0.00 178.00 178.78 2jla n LEU 260 N -3.47 3.56 -4.63 1.56 4.77 -1.26 -4.99 117.00 112.54 2jla n LEU 260 Ca -0.03 -5.35 -0.29 0.00 -0.03 0.00 0.00 56.01 50.31 2jla n LEU 260 Cb 0.08 -0.73 0.18 0.00 -2.33 0.00 0.00 43.42 40.63 2jla n LEU 260 CO 0.24 1.93 0.62 -2.16 -1.33 0.00 0.00 177.39 176.68 2jla s PRO 261 N -2.09 0.38 -1.38 3.23 0.04 -1.19 -3.93 135.00 130.06 2jla s PRO 261 Ca 0.34 0.87 -0.10 0.00 0.04 0.00 0.00 61.00 62.15 2jla s PRO 261 Cb 0.07 -1.70 0.02 0.00 0.04 0.00 0.00 34.50 32.93 2jla s PRO 261 CO -0.07 -2.85 1.15 0.00 0.04 0.00 0.00 177.00 175.27 2jla h ALA 263 N 1.01 0.51 -0.64 0.00 0.00 -1.83 0.93 119.26 119.24 2jla h ALA 263 Ca -0.57 0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.74 2jla h ALA 263 Cb 1.37 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 2jla h ALA 263 CO 0.58 -0.42 0.50 0.22 0.00 0.00 0.00 179.25 180.13 2jla h ASP 264 N 0.05 0.00 0.00 0.00 -0.00 -1.85 -0.52 116.42 114.10 2jla h ASP 264 Ca 0.31 0.00 -0.11 0.00 -0.00 0.00 0.00 57.03 57.23 2jla h ASP 264 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.81 2jla h ASP 264 CO -0.59 0.00 -0.70 -0.07 -0.00 0.00 0.00 179.24 177.88 2jla h LEU 265 N 0.00 0.00 -0.63 2.28 3.38 -1.15 -3.38 115.31 115.81 2jla h LEU 265 Ca 0.30 -0.42 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 2jla h LEU 265 Cb 1.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 2jla h LEU 265 CO -0.00 1.11 -0.69 4.11 0.09 0.00 0.00 178.44 183.06 2jla h TRP 266 N -1.00 0.00 -0.01 1.13 5.08 -0.67 -2.01 115.95 118.47 2jla h TRP 266 Ca -0.16 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.81 2jla h TRP 266 Cb 0.91 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.07 2jla h TRP 266 CO 0.04 0.69 0.04 -0.07 -1.28 0.00 0.00 178.44 177.86 2jla h LEU 267 N 0.00 0.00 0.00 0.11 3.38 -1.34 0.35 115.31 117.81 2jla h LEU 267 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jla h LEU 267 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2jla h LEU 267 CO 0.09 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.23 2jla n GLY 268 N -1.17 -0.79 3.44 0.83 0.00 -0.75 -4.66 105.19 102.09 2jla n GLY 268 Ca -0.03 -0.14 -0.36 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 -2.11 4.94 0.45 1.61 3.84 0.11 -4.57 114.94 119.21 2jla s ASN 269 Ca 0.33 -0.22 0.20 0.00 0.21 0.00 0.00 52.86 53.38 2jla s ASN 269 Cb 0.16 -1.87 1.18 0.00 -0.55 0.00 0.00 41.25 40.17 2jla s ASN 269 CO 0.28 0.01 1.90 0.00 -2.79 0.00 0.00 177.10 176.51 2jla h ALA 270 N 7.89 2.32 -0.12 1.71 0.00 -1.84 -0.17 119.26 129.03 2jla h ALA 270 Ca -0.38 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 2jla h ALA 270 Cb 1.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2jla h ALA 270 CO 0.60 -0.55 -0.22 0.87 0.00 0.00 0.00 179.25 179.95 2jla h LYS 271 N 0.29 0.21 0.00 0.00 1.57 -1.93 -0.60 116.57 116.11 2jla h LYS 271 Ca 0.40 -0.06 -0.25 0.00 -1.87 0.00 0.00 60.65 58.87 2jla h LYS 271 Cb 1.13 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.43 2jla h LYS 271 CO -0.11 0.43 -1.00 0.00 -0.57 0.00 0.00 179.45 178.20 2jla h ALA 272 N 1.59 0.25 -0.15 3.86 0.00 -1.29 -2.36 119.26 121.15 2jla h ALA 272 Ca 0.03 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 2jla h ALA 272 Cb 0.50 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jla h ALA 272 CO 0.03 0.76 -0.13 1.79 0.00 0.00 0.00 179.25 181.70 2jla h THR 273 N 0.30 1.34 0.00 0.00 1.35 -1.18 -0.66 112.91 114.06 2jla h THR 273 Ca -0.10 -1.28 -0.08 0.00 -0.55 0.00 0.00 66.41 64.40 2jla h THR 273 Cb 1.64 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 69.90 2jla h THR 273 CO 0.18 0.38 -0.36 0.77 -0.25 0.00 0.00 175.52 176.24 2jla h SER 274 N -0.01 0.00 0.00 5.36 4.64 -1.22 -1.20 113.55 121.11 2jla h SER 274 Ca 0.03 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.22 2jla h SER 274 Cb 0.66 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 2jla h SER 274 CO 0.03 0.36 -0.40 -0.08 -0.87 0.00 0.00 176.83 175.87 2jla h GLU 275 N 0.00 0.51 0.00 4.77 4.81 -1.32 -3.12 114.58 120.24 2jla h GLU 275 Ca -0.00 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 2jla h GLU 275 Cb 0.73 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 2jla h GLU 275 CO 0.05 0.83 -0.06 -0.07 -0.73 0.00 0.00 179.01 179.03 2jla h LEU 276 N 0.42 0.00 -1.73 1.64 3.38 -0.02 -2.86 115.31 116.14 2jla h LEU 276 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2jla h LEU 276 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2jla h LEU 276 CO 0.08 0.06 0.00 1.56 0.09 0.00 0.00 178.44 180.23 2jla h GLN 277 N 0.00 0.00 0.00 1.13 4.20 -1.19 -1.53 115.11 117.72 2jla h GLN 277 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2jla h GLN 277 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 2jla h GLN 277 CO 0.01 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.21 2jla n GLN 278 N -2.57 0.11 -1.71 1.46 6.02 -1.08 -4.82 117.38 114.79 2jla n GLN 278 Ca -0.01 0.10 -0.43 0.00 -0.01 0.00 0.00 57.00 56.65 2jla n GLN 278 Cb 0.11 -1.63 -0.03 0.00 1.02 0.00 0.00 30.24 29.71 2jla n GLN 278 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jla n ALA 279 N -1.62 2.49 -0.06 -1.58 0.00 -0.58 -4.75 120.51 114.41 2jla n ALA 279 Ca 0.06 0.41 -0.02 0.00 0.00 0.00 0.00 53.44 53.90 2jla n ALA 279 Cb 0.37 -2.49 -0.16 0.00 0.00 0.00 0.00 19.45 17.18 2jla n ALA 279 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2jla n GLN 280 N 3.88 0.75 -3.91 0.00 6.02 0.25 -4.52 117.38 119.85 2jla n GLN 280 Ca 0.16 -0.08 -0.11 0.00 -0.01 0.00 0.00 57.00 56.96 2jla n GLN 280 Cb 0.33 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.96 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 -2.86 0.05 -0.20 5.09 2.07 -1.11 -0.52 121.20 123.72 2jla s ILE 281 Ca -0.09 -0.24 0.01 0.00 -1.41 0.00 0.00 60.65 58.92 2jla s ILE 281 Cb 0.09 -0.09 0.05 0.00 0.13 0.00 0.00 42.46 42.63 2jla s ILE 281 CO 0.82 -0.12 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.96 2jla s VAL 282 N -0.37 1.49 -0.37 4.00 1.01 -0.90 -1.92 120.40 123.34 2jla s VAL 282 Ca -0.04 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 2jla s VAL 282 Cb -0.03 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.75 2jla s VAL 282 CO -0.00 0.11 0.19 -0.69 0.00 0.00 0.00 175.10 174.71 2jla s VAL 283 N 1.45 4.53 -0.22 2.92 1.01 -0.43 -0.93 120.40 128.74 2jla s VAL 283 Ca -0.02 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 2jla s VAL 283 Cb -0.16 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2jla s VAL 283 CO -0.08 -0.20 0.14 -1.58 0.00 0.00 0.00 175.10 173.38 2jla s GLN 284 N 1.55 4.12 -0.09 2.72 0.74 0.21 -2.12 119.66 126.79 2jla s GLN 284 Ca 0.02 -0.25 0.02 0.00 0.05 0.00 0.00 55.36 55.20 2jla s GLN 284 Cb -0.19 -3.46 -0.02 0.00 1.10 0.00 0.00 33.01 30.44 2jla s GLN 284 CO 0.06 0.19 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.33 2jla s LEU 285 N 0.68 2.59 0.00 3.68 1.02 -0.16 -0.30 118.68 126.19 2jla s LEU 285 Ca 0.08 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 53.90 2jla s LEU 285 Cb -0.12 -1.55 0.00 0.00 0.02 0.00 0.00 46.19 44.54 2jla s LEU 285 CO 0.01 0.23 0.00 0.61 0.02 0.00 0.00 176.35 177.22 2jla n GLY 286 N 3.08 -1.72 0.00 -3.19 0.00 0.09 -0.28 105.19 103.17 2jla n GLY 286 Ca -0.18 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.12 0.00 -3.55 1.61 3.41 -1.24 -4.46 113.62 109.27 2jla n SER 287 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.39 2jla n SER 287 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 2jla n SER 287 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jla n SER 288 N 0.00 -4.10 -4.68 4.04 7.64 -1.26 -1.27 113.62 113.99 2jla n SER 288 Ca 0.00 -0.84 -0.41 0.00 1.01 0.00 0.00 58.87 58.64 2jla n SER 288 Cb 0.00 -4.26 0.02 0.00 -1.01 0.00 0.00 64.21 58.96 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 -3.93 3.86 -0.06 -3.43 4.32 -1.26 -4.76 117.00 111.74 2jla n LEU 289 Ca -0.17 1.07 -0.04 0.00 -0.02 0.00 0.00 56.01 56.85 2jla n LEU 289 Cb 0.63 -1.47 -0.01 0.00 -1.62 0.00 0.00 43.42 40.95 2jla n LEU 289 CO 0.65 -0.85 -0.32 0.41 -1.22 0.00 0.00 177.39 176.05 2jla n THR 290 N -0.39 1.22 -2.93 -5.08 -1.04 -1.26 -4.95 114.28 99.84 2jla n THR 290 Ca 0.08 0.25 -0.33 0.00 -2.04 0.00 0.00 64.05 62.01 2jla n THR 290 Cb 0.40 -2.26 -0.07 0.00 -1.82 0.00 0.00 70.33 66.58 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 -4.04 2.38 0.14 3.41 0.00 -1.26 -4.92 107.32 103.01 2jla s GLY 291 Ca -0.14 0.28 -0.19 0.00 0.00 0.00 0.00 44.72 44.67 2jla s GLY 291 CO 0.20 0.53 1.70 1.70 0.00 0.00 0.00 173.10 177.24 2jla h LYS 292 N 2.05 0.02 -0.65 2.90 1.63 -1.95 -0.68 116.57 119.89 2jla h LYS 292 Ca -0.49 -0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.34 2jla h LYS 292 Cb 1.18 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.76 2jla h LYS 292 CO 0.63 0.01 0.40 0.00 -3.45 0.00 0.00 179.45 177.04 2jla h ARG 293 N 0.02 0.76 -0.38 1.90 -0.00 -1.94 -0.16 114.38 114.58 2jla h ARG 293 Ca 0.11 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.98 59.45 2jla h ARG 293 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 29.97 29.95 2jla h ARG 293 CO -0.23 0.50 -0.13 1.25 0.00 0.00 0.00 179.97 181.36 2jla h LEU 294 N 0.78 0.77 -0.32 3.04 5.85 -1.79 0.48 115.31 124.12 2jla h LEU 294 Ca 0.26 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 2jla h LEU 294 Cb 0.03 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2jla h LEU 294 CO -0.11 0.98 0.12 -0.07 -0.34 0.00 0.00 178.44 179.02 2jla h LEU 295 N 0.56 0.45 -0.69 2.25 3.38 -0.90 -0.03 115.31 120.33 2jla h LEU 295 Ca 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2jla h LEU 295 Cb 0.66 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2jla h LEU 295 CO 0.05 0.50 0.35 1.56 0.09 0.00 0.00 178.44 180.98 2jla h GLN 296 N 0.37 0.98 -0.28 1.13 4.20 -0.95 -0.50 115.11 120.06 2jla h GLN 296 Ca 0.11 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 2jla h GLN 296 Cb 0.20 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2jla h GLN 296 CO -0.01 0.76 0.06 2.35 -0.67 0.00 0.00 178.83 181.32 2jla h TRP 297 N 0.95 0.47 -0.75 2.96 7.01 -0.67 -1.98 115.95 123.94 2jla h TRP 297 Ca 0.24 -0.06 0.16 0.00 2.11 0.00 0.00 58.89 61.33 2jla h TRP 297 Cb 0.09 -0.13 -0.10 0.00 -2.10 0.00 0.00 29.16 26.91 2jla h TRP 297 CO 0.00 0.53 0.25 0.37 -2.79 0.00 0.00 178.44 176.81 2jla h GLN 298 N 0.28 0.35 -0.13 2.65 -0.00 -0.78 0.12 115.11 117.59 2jla h GLN 298 Ca 0.09 -0.02 -0.09 0.00 -0.00 0.00 0.00 58.65 58.62 2jla h GLN 298 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 2jla h GLN 298 CO 0.00 0.23 -0.33 0.00 0.00 0.00 0.00 178.83 178.73 2jla h ALA 299 N 1.59 1.19 0.00 3.38 0.00 -0.79 -3.29 119.26 121.34 2jla h ALA 299 Ca 0.42 -0.36 -0.26 0.00 0.00 0.00 0.00 54.91 54.72 2jla h ALA 299 Cb 0.69 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2jla h ALA 299 CO -0.46 0.54 -1.66 -1.13 0.00 0.00 0.00 179.25 176.54 2jla n SER 300 N -4.09 0.82 -4.78 0.00 3.41 -0.43 -4.94 113.62 103.61 2jla n SER 300 Ca -0.01 0.38 -0.34 0.00 -0.26 0.00 0.00 58.87 58.64 2jla n SER 300 Cb 0.43 0.07 0.02 0.00 -0.26 0.00 0.00 64.21 64.46 2jla n SER 300 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jla n GLU 302 N -1.79 1.84 -1.68 0.00 1.02 -1.26 -5.01 120.64 113.76 2jla n GLU 302 Ca 0.11 -3.98 -0.31 0.00 -0.02 0.00 0.00 57.16 52.96 2jla n GLU 302 Cb 0.52 -1.88 0.05 0.00 -0.02 0.00 0.00 31.44 30.11 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 -2.63 2.80 0.26 3.49 0.04 -1.26 -4.94 135.00 132.76 2jla s PRO 303 Ca 0.42 0.73 -0.03 0.00 0.04 0.00 0.00 61.00 62.16 2jla s PRO 303 Cb 0.29 -1.99 0.37 0.00 0.04 0.00 0.00 34.50 33.20 2jla s PRO 303 CO -0.10 -1.14 1.89 1.49 0.04 0.00 0.00 177.00 179.18 2jla h GLU 304 N -0.74 1.17 -4.01 4.56 4.81 -1.05 -3.43 114.58 115.90 2jla h GLU 304 Ca -0.45 -0.07 -0.20 0.00 -0.13 0.00 0.00 59.36 58.51 2jla h GLU 304 Cb 1.23 -0.26 -0.23 0.00 0.63 0.00 0.00 28.75 30.12 2jla h GLU 304 CO 0.60 0.78 -0.71 -1.21 -0.73 0.00 0.00 179.01 177.73 2jla s GLU 305 N -6.06 0.27 -0.12 1.92 2.02 -1.09 -4.83 118.70 110.81 2jla s GLU 305 Ca -0.13 -0.47 0.02 0.00 0.02 0.00 0.00 54.97 54.41 2jla s GLU 305 Cb 0.20 0.01 0.01 0.00 0.10 0.00 0.00 34.13 34.45 2jla s GLU 305 CO 0.81 -0.02 -0.17 -0.47 0.02 0.00 0.00 175.26 175.43 2jla s TYR 306 N -1.06 2.24 -0.10 1.61 5.04 -1.05 -2.13 117.35 121.90 2jla s TYR 306 Ca -0.11 -1.11 0.04 0.00 -2.44 0.00 0.00 57.07 53.45 2jla s TYR 306 Cb -0.07 -1.58 0.00 0.00 0.35 0.00 0.00 41.96 40.65 2jla s TYR 306 CO -0.01 -0.55 -0.23 -1.58 -1.34 0.00 0.00 175.55 171.84 2jla s TRP 307 N 0.98 2.53 -0.25 4.97 0.52 -0.10 0.11 118.94 127.71 2jla s TRP 307 Ca -0.05 -1.06 0.03 0.00 0.02 0.00 0.00 56.10 55.03 2jla s TRP 307 Cb -0.15 -1.70 0.05 0.00 -1.15 0.00 0.00 33.47 30.53 2jla s TRP 307 CO -0.03 -0.43 -0.12 0.42 0.02 0.00 0.00 176.95 176.81 2jla s ILE 308 N 0.40 2.13 -0.26 2.03 1.01 -0.83 0.65 121.20 126.32 2jla s ILE 308 Ca -0.18 -1.51 -0.10 0.00 0.00 0.00 0.00 60.65 58.87 2jla s ILE 308 Cb -0.18 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 2jla s ILE 308 CO 0.08 0.06 0.14 -0.69 0.00 0.00 0.00 174.94 174.53 2jla s VAL 309 N 1.14 5.00 0.05 2.92 1.01 0.59 -1.88 120.40 129.23 2jla s VAL 309 Ca -0.07 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.70 2jla s VAL 309 Cb -0.19 -3.35 0.07 0.00 0.00 0.00 0.00 36.38 32.91 2jla s VAL 309 CO -0.06 0.31 0.65 -0.62 0.00 0.00 0.00 175.10 175.37 2jla s ASP 310 N 1.48 -0.61 0.00 3.32 -1.08 -1.02 -0.73 116.67 118.02 2jla s ASP 310 Ca 0.07 0.37 0.23 0.00 -0.52 0.00 0.00 52.55 52.69 2jla s ASP 310 Cb -0.15 0.56 1.09 0.00 -1.46 0.00 0.00 42.92 42.97 2jla s ASP 310 CO 0.07 -0.78 1.76 -0.90 0.52 0.00 0.00 175.17 175.84 2jla n ASP 311 N 0.28 0.00 -4.95 -0.34 5.68 -0.78 -2.44 116.55 114.01 2jla n ASP 311 Ca -0.18 0.20 -0.23 0.00 -0.50 0.00 0.00 54.79 54.08 2jla n ASP 311 Cb 0.61 -0.38 0.04 0.00 -1.14 0.00 0.00 41.12 40.24 2jla n ASP 311 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 2jla s ILE 312 N -2.77 3.07 0.55 2.12 -4.36 -1.26 -4.70 121.20 113.85 2jla s ILE 312 Ca 0.17 -0.45 0.04 0.00 -0.26 0.00 0.00 60.65 60.15 2jla s ILE 312 Cb 0.15 -3.19 0.05 0.00 1.25 0.00 0.00 42.46 40.73 2jla s ILE 312 CO 0.39 -0.15 0.76 -1.61 0.24 0.00 0.00 174.94 174.57 2jla s GLU 313 N -4.83 2.42 0.00 0.37 2.02 -1.26 -4.84 118.70 112.58 2jla s GLU 313 Ca 0.55 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 54.43 2jla s GLU 313 Cb -0.10 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.57 2jla s GLU 313 CO 0.40 -0.75 0.00 0.41 0.02 0.00 0.00 175.26 175.34 2jla n GLY 314 N -2.28 -2.36 3.71 -1.39 0.00 -1.26 -4.90 105.19 96.70 2jla n GLY 314 Ca 0.11 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 2jla n GLY 314 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jla n ARG 315 N -1.91 2.06 0.00 1.61 1.74 -1.26 -4.93 116.66 113.97 2jla n ARG 315 Ca 0.00 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 2jla n ARG 315 Cb 0.00 -2.40 0.00 0.00 -1.02 0.00 0.00 32.46 29.04 2jla n ARG 315 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2jla n LEU 316 N 0.35 0.11 -4.39 0.55 4.77 -1.26 -4.99 117.00 112.15 2jla n LEU 316 Ca 0.06 -0.33 -0.45 0.00 -0.03 0.00 0.00 56.01 55.26 2jla n LEU 316 Cb 0.39 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 2jla n LEU 316 CO 0.60 0.03 0.34 -0.62 -1.33 0.00 0.00 177.39 176.42 2jla s ASP 317 N -0.44 6.19 0.49 -1.43 2.15 -1.26 -4.93 116.67 117.44 2jla s ASP 317 Ca 0.00 -1.33 0.31 0.00 0.43 0.00 0.00 52.55 51.96 2jla s ASP 317 Cb 0.00 -2.28 1.19 0.00 -0.30 0.00 0.00 42.92 41.53 2jla s ASP 317 CO 0.00 -1.01 1.90 -0.65 -0.17 0.00 0.00 175.17 175.24 2jla h PRO 318 N 9.09 0.00 -0.00 4.34 0.11 -1.99 -1.46 132.00 142.09 2jla h PRO 318 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2jla h PRO 318 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2jla h PRO 318 CO 1.05 0.00 -0.11 0.00 -0.21 0.00 0.00 178.00 178.73 2jla n ALA 319 N -2.04 2.64 -3.49 -0.75 0.00 -1.26 -4.98 120.51 110.64 2jla n ALA 319 Ca 0.01 -0.18 -0.19 0.00 0.00 0.00 0.00 53.44 53.08 2jla n ALA 319 Cb 0.32 -1.39 0.08 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.37 -2.33 -1.83 0.00 8.25 -0.55 -4.99 115.22 112.40 2jla n HIS 320 Ca 0.09 0.95 -0.35 0.00 -0.26 0.00 0.00 57.72 58.16 2jla n HIS 320 Cb 0.31 -5.02 0.05 0.00 1.12 0.00 0.00 29.99 26.45 2jla n HIS 320 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jla s HIS 321 N -3.37 2.42 0.10 4.41 3.76 -1.26 -4.98 115.29 116.37 2jla s HIS 321 Ca 0.14 1.55 -0.31 0.00 -0.15 0.00 0.00 55.06 56.29 2jla s HIS 321 Cb -0.06 -3.36 -0.09 0.00 1.11 0.00 0.00 32.58 30.18 2jla s HIS 321 CO 0.74 -2.05 1.70 0.50 -0.85 0.00 0.00 174.74 174.78 2jla s ARG 322 N -3.69 4.18 0.00 1.40 3.52 -1.26 -4.83 118.95 118.27 2jla s ARG 322 Ca 0.73 2.43 0.00 0.00 -0.13 0.00 0.00 55.73 58.75 2jla s ARG 322 Cb -0.26 -3.54 0.00 0.00 -1.56 0.00 0.00 34.95 29.59 2jla s ARG 322 CO 0.37 -0.76 0.00 0.41 -0.81 0.00 0.00 175.30 174.52 2jla n GLY 323 N 4.05 -0.67 2.97 8.12 0.00 -1.26 -2.54 105.19 115.85 2jla n GLY 323 Ca 0.16 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.26 0.57 -0.40 1.61 0.52 0.12 -4.90 118.95 115.20 2jla s ARG 324 Ca 0.00 -0.21 0.02 0.00 -0.52 0.00 0.00 55.73 55.02 2jla s ARG 324 Cb 0.00 -0.56 0.11 0.00 0.52 0.00 0.00 34.95 35.02 2jla s ARG 324 CO 0.00 0.11 0.14 0.50 0.02 0.00 0.00 175.30 176.06 2jla s ARG 325 N 0.02 1.74 -0.17 3.54 6.06 -1.26 -1.97 118.95 126.90 2jla s ARG 325 Ca 0.00 -2.02 -0.06 0.00 -2.50 0.00 0.00 55.73 51.15 2jla s ARG 325 Cb -0.04 -3.34 -0.04 0.00 0.06 0.00 0.00 34.95 31.59 2jla s ARG 325 CO -0.00 -1.01 0.04 -0.51 -2.50 0.00 0.00 175.30 171.32 2jla s LEU 326 N 0.71 3.71 -0.22 -0.88 1.43 -0.79 -5.01 118.68 117.65 2jla s LEU 326 Ca 0.12 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.26 2jla s LEU 326 Cb -0.21 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.10 2jla s LEU 326 CO -0.06 0.20 -0.09 -0.63 0.23 0.00 0.00 176.35 176.00 2jla s ILE 327 N 0.20 2.84 -0.11 -0.59 1.01 -1.26 -2.45 121.20 120.84 2jla s ILE 327 Ca 0.03 -0.79 -0.33 0.00 0.00 0.00 0.00 60.65 59.56 2jla s ILE 327 Cb -0.13 -2.32 0.13 0.00 0.01 0.00 0.00 42.46 40.15 2jla s ILE 327 CO 0.01 0.39 1.20 0.00 0.00 0.00 0.00 174.94 176.53 2jla s ALA 328 N 1.38 -2.08 0.15 9.38 0.00 -1.02 -0.58 121.76 128.98 2jla s ALA 328 Ca 0.04 1.23 -0.31 0.00 0.00 0.00 0.00 51.96 52.92 2jla s ALA 328 Cb -0.15 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.98 2jla s ALA 328 CO -0.06 -0.76 1.43 1.21 0.00 0.00 0.00 175.76 177.58 2jla s ASN 329 N -2.47 6.76 0.10 0.00 3.84 -1.26 -1.86 114.94 120.05 2jla s ASN 329 Ca 0.11 2.44 -0.25 0.00 0.21 0.00 0.00 52.86 55.36 2jla s ASN 329 Cb 0.01 -2.59 -0.13 0.00 -0.55 0.00 0.00 41.25 37.98 2jla s ASN 329 CO -0.04 -0.68 1.69 0.40 -2.79 0.00 0.00 177.10 175.68 2jla h ILE 330 N 4.06 0.72 -0.73 -5.21 2.04 -1.93 0.40 117.51 116.86 2jla h ILE 330 Ca -0.43 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.57 2jla h ILE 330 Cb 1.21 0.72 -0.09 0.00 -0.74 0.00 0.00 36.82 37.92 2jla h ILE 330 CO 0.86 0.00 0.28 0.00 0.00 0.00 0.00 178.15 179.29 2jla h ALA 331 N 0.55 1.01 -0.12 1.87 0.00 -1.93 0.65 119.26 121.30 2jla h ALA 331 Ca -0.00 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jla h ALA 331 Cb 0.26 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2jla h ALA 331 CO -0.02 -0.21 0.07 -0.44 0.00 0.00 0.00 179.25 178.65 2jla h ASP 332 N 0.43 0.15 -0.59 0.00 5.19 -1.79 -2.70 116.42 117.10 2jla h ASP 332 Ca 0.40 -0.05 -0.05 0.00 -0.62 0.00 0.00 57.03 56.71 2jla h ASP 332 Cb 0.59 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.04 2jla h ASP 332 CO -0.39 0.15 0.21 -0.25 -3.12 0.00 0.00 179.24 175.83 2jla h TRP 333 N 0.13 0.97 -0.23 4.55 7.01 0.11 -1.74 115.95 126.74 2jla h TRP 333 Ca 0.04 -0.08 -0.11 0.00 2.11 0.00 0.00 58.89 60.86 2jla h TRP 333 Cb 0.03 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.79 2jla h TRP 333 CO -0.06 0.77 -0.33 -0.07 -2.79 0.00 0.00 178.44 175.97 2jla h LEU 334 N 0.92 0.49 -0.87 0.65 3.38 -0.84 -1.10 115.31 117.94 2jla h LEU 334 Ca 0.21 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2jla h LEU 334 Cb 0.25 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2jla h LEU 334 CO -0.01 0.79 -0.46 -0.33 0.09 0.00 0.00 178.44 178.52 2jla h GLU 335 N 0.41 0.00 0.00 1.13 5.08 -1.06 -2.78 114.58 117.36 2jla h GLU 335 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2jla h GLU 335 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2jla h GLU 335 CO 0.06 0.46 -0.47 1.25 -1.00 0.00 0.00 179.01 179.31 2jla h LEU 336 N 0.00 0.00 -5.76 1.33 5.85 -1.05 -3.36 115.31 112.32 2jla h LEU 336 Ca -0.00 -0.01 -0.55 0.00 0.84 0.00 0.00 57.88 58.15 2jla h LEU 336 Cb 0.97 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 41.59 2jla h LEU 336 CO 0.06 0.01 -0.87 1.41 -0.34 0.00 0.00 178.44 178.70 2jla n HIS 337 N -2.83 2.17 -0.92 1.25 8.25 -0.44 -4.94 115.22 117.76 2jla n HIS 337 Ca 0.02 -3.91 -0.30 0.00 -0.26 0.00 0.00 57.72 53.27 2jla n HIS 337 Cb 0.53 -0.46 0.16 0.00 1.12 0.00 0.00 29.99 31.34 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 -2.67 1.01 0.10 -0.41 0.04 -1.06 -4.78 135.00 127.23 2jla s PRO 338 Ca 0.43 1.16 0.02 0.00 0.04 0.00 0.00 61.00 62.65 2jla s PRO 338 Cb 0.27 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 33.01 2jla s PRO 338 CO -0.10 -2.51 0.19 0.00 0.04 0.00 0.00 177.00 174.62 2jla s ALA 339 N -2.75 3.83 0.07 8.56 0.00 -1.26 -5.01 121.76 125.20 2jla s ALA 339 Ca 0.65 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.71 2jla s ALA 339 Cb -0.21 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 2jla s ALA 339 CO 0.58 0.69 -0.23 -2.00 0.00 0.00 0.00 175.76 174.80 2jla s GLU 340 N -2.75 1.45 -0.05 0.00 2.12 -1.26 -4.95 118.70 113.26 2jla s GLU 340 Ca 0.33 -1.08 -0.33 0.00 0.36 0.00 0.00 54.97 54.24 2jla s GLU 340 Cb -0.12 -1.67 -0.11 0.00 0.26 0.00 0.00 34.13 32.49 2jla s GLU 340 CO 0.26 0.42 1.89 1.17 -0.54 0.00 0.00 175.26 178.46 2jla n LYS 341 N 1.57 2.33 -3.93 4.30 4.81 -1.25 -4.19 118.16 121.78 2jla n LYS 341 Ca -0.18 0.85 -0.10 0.00 -0.87 0.00 0.00 58.31 58.02 2jla n LYS 341 Cb 0.53 -2.72 -0.10 0.00 0.02 0.00 0.00 35.03 32.76 2jla n LYS 341 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2jla s ARG 342 N 4.02 0.40 0.18 1.64 0.52 -0.01 -4.99 118.95 120.71 2jla s ARG 342 Ca 0.91 -0.54 -0.33 0.00 -0.52 0.00 0.00 55.73 55.25 2jla s ARG 342 Cb -0.64 0.16 -0.13 0.00 0.52 0.00 0.00 34.95 34.86 2jla s ARG 342 CO 0.49 -0.08 1.62 0.94 0.02 0.00 0.00 175.30 178.29 2jla n GLN 343 N 1.46 2.39 -1.83 3.54 -0.06 -1.26 -3.43 117.38 118.18 2jla n GLN 343 Ca -0.23 0.86 -0.41 0.00 -2.00 0.00 0.00 57.00 55.22 2jla n GLN 343 Cb 0.55 -2.65 -0.01 0.00 -4.06 0.00 0.00 30.24 24.07 2jla n GLN 343 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 2jla s PRO 344 N 0.91 4.15 0.03 3.69 0.02 -1.26 -4.68 135.00 137.86 2jla s PRO 344 Ca 0.77 2.52 0.18 0.00 0.02 0.00 0.00 61.00 64.48 2jla s PRO 344 Cb -0.61 -3.02 -0.16 0.00 0.02 0.00 0.00 34.50 30.73 2jla s PRO 344 CO 0.37 -0.55 0.72 -2.67 -0.33 0.00 0.00 177.00 174.54 2jla n TRP 345 N 1.56 0.80 -2.60 6.54 4.27 -1.18 -4.95 117.44 121.87 2jla n TRP 345 Ca 0.05 0.27 -0.40 0.00 -3.89 0.00 0.00 57.50 53.53 2jla n TRP 345 Cb 0.39 -1.03 -0.05 0.00 -1.36 0.00 0.00 31.31 29.26 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 1.23 0.00 -0.10 0.00 0.31 -1.26 -4.81 118.33 113.69 2jla n VAL 347 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.19 2jla n VAL 347 Cb 0.46 -0.52 -0.03 0.00 -0.91 0.00 0.00 33.84 32.84 2jla n VAL 347 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2jla h GLU 348 N 0.00 0.76 -0.27 5.55 4.39 -1.92 -3.38 114.58 119.71 2jla h GLU 348 Ca 0.00 -0.39 -0.04 0.00 0.34 0.00 0.00 59.36 59.28 2jla h GLU 348 Cb 0.78 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 2jla h GLU 348 CO 0.00 1.01 0.02 0.82 -1.16 0.00 0.00 179.01 179.70 2jla h ILE 349 N 0.53 1.24 -0.71 3.13 2.04 -1.90 -1.57 117.51 120.27 2jla h ILE 349 Ca 0.06 -0.86 0.02 0.00 1.00 0.00 0.00 64.86 65.08 2jla h ILE 349 Cb 0.85 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 2jla h ILE 349 CO 0.07 0.27 0.47 -0.65 0.00 0.00 0.00 178.15 178.32 2jla h PRO 350 N 0.26 0.89 0.87 2.37 0.11 -1.88 0.17 132.00 134.78 2jla h PRO 350 Ca 0.08 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 2jla h PRO 350 Cb 0.38 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 31.30 2jla h PRO 350 CO 0.01 0.59 -0.42 -0.09 -0.21 0.00 0.00 178.00 177.88 2jla h ARG 351 N 0.91 -1.12 -0.47 1.05 9.65 -1.68 -1.54 114.38 121.18 2jla h ARG 351 Ca 0.27 0.08 0.09 0.00 -1.10 0.00 0.00 59.98 59.32 2jla h ARG 351 Cb -0.03 0.26 -0.10 0.00 -1.39 0.00 0.00 29.97 28.71 2jla h ARG 351 CO -0.07 -0.75 -0.31 -0.07 2.80 0.00 0.00 179.97 181.57 2jla h LEU 352 N -1.20 -1.06 -0.92 3.80 3.38 -1.03 0.31 115.31 118.59 2jla h LEU 352 Ca -0.12 0.20 0.17 0.00 0.09 0.00 0.00 57.88 58.22 2jla h LEU 352 Cb 0.89 0.51 -0.10 0.00 0.09 0.00 0.00 40.66 42.06 2jla h LEU 352 CO 0.20 -0.31 0.52 0.00 0.09 0.00 0.00 178.44 178.94 2jla h ALA 353 N 0.89 1.46 -0.37 1.53 0.00 -0.68 0.33 119.26 122.42 2jla h ALA 353 Ca 0.20 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 2jla h ALA 353 Cb 0.53 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2jla h ALA 353 CO -0.58 -0.07 -0.40 1.49 0.00 0.00 0.00 179.25 179.69 2jla h GLU 354 N 0.69 0.92 -0.34 0.00 4.81 0.36 -3.12 114.58 117.90 2jla h GLU 354 Ca 0.52 -0.50 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 2jla h GLU 354 Cb 0.76 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 2jla h GLU 354 CO -0.37 1.15 -0.22 1.96 -0.73 0.00 0.00 179.01 180.79 2jla h GLN 355 N 0.75 0.66 -0.42 1.92 4.20 0.15 -2.97 115.11 119.39 2jla h GLN 355 Ca 0.06 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.51 2jla h GLN 355 Cb 1.00 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.74 2jla h GLN 355 CO 0.10 0.83 0.00 0.00 -0.67 0.00 0.00 178.83 179.09 2jla n ALA 356 N -2.49 1.16 0.00 3.87 0.00 0.97 -2.21 120.51 121.80 2jla n ALA 356 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jla n ALA 356 Cb 0.41 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 0.58 0.00 -0.22 0.00 6.02 -1.12 -1.75 117.38 120.89 2jla n GLN 358 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2jla n GLN 358 Cb 0.01 0.00 0.24 0.00 1.02 0.00 0.00 30.24 31.51 2jla n GLN 358 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jla h ALA 359 N 0.00 1.45 -0.08 -1.58 0.00 -1.74 0.31 119.26 117.62 2jla h ALA 359 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2jla h ALA 359 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2jla h ALA 359 CO 0.00 0.50 -0.18 0.28 0.00 0.00 0.00 179.25 179.86 2jla h VAL 360 N 1.02 1.41 -0.96 0.00 2.07 -1.64 -3.21 116.25 114.95 2jla h VAL 360 Ca 0.27 -1.49 0.19 0.00 0.82 0.00 0.00 66.70 66.49 2jla h VAL 360 Cb -0.10 2.19 -0.08 0.00 -1.52 0.00 0.00 31.29 31.78 2jla h VAL 360 CO -0.06 0.42 0.61 0.40 0.02 0.00 0.00 177.57 178.96 2jla h ILE 361 N -0.22 0.72 -0.47 4.57 2.04 -1.74 0.29 117.51 122.70 2jla h ILE 361 Ca 0.00 -0.21 0.14 0.00 1.00 0.00 0.00 64.86 65.78 2jla h ILE 361 Cb 0.77 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2jla h ILE 361 CO 0.04 0.11 0.34 0.00 0.00 0.00 0.00 178.15 178.64 2jla h ALA 362 N 1.62 2.44 -0.46 1.87 0.00 -0.39 -2.98 119.26 121.35 2jla h ALA 362 Ca 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.41 2jla h ALA 362 Cb 0.98 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2jla h ALA 362 CO -0.27 -0.58 0.00 0.54 0.00 0.00 0.00 179.25 178.94 2jla n ARG 363 N -4.38 4.16 0.12 0.00 5.12 0.09 -4.72 116.66 117.05 2jla n ARG 363 Ca 0.08 -3.05 0.12 0.00 -1.93 0.00 0.00 57.85 53.08 2jla n ARG 363 Cb 0.55 -2.11 0.46 0.00 -1.16 0.00 0.00 32.46 30.20 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 0.19 0.22 0.09 5.56 1.85 -1.13 -3.85 116.66 119.58 2jla n ARG 364 Ca 0.25 0.34 -0.11 0.00 -1.00 0.00 0.00 57.85 57.34 2jla n ARG 364 Cb 1.09 -1.84 -0.08 0.00 -1.05 0.00 0.00 32.46 30.57 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 0.26 -3.50 2.89 3.32 -1.86 -3.46 116.42 114.07 2jla h ASP 365 Ca 0.00 -0.25 -0.53 0.00 0.02 0.00 0.00 57.03 56.27 2jla h ASP 365 Cb 0.50 -0.08 0.09 0.00 0.22 0.00 0.00 39.33 40.06 2jla h ASP 365 CO 0.00 1.14 0.86 0.00 -1.72 0.00 0.00 179.24 179.51 2jla s ALA 366 N -2.89 3.70 -1.53 3.45 0.00 -1.25 -4.87 121.76 118.37 2jla s ALA 366 Ca -0.02 1.57 -0.11 0.00 0.00 0.00 0.00 51.96 53.40 2jla s ALA 366 Cb 0.09 -3.64 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 2jla s ALA 366 CO 0.85 -1.01 2.58 0.34 0.00 0.00 0.00 175.76 178.52 2jla n PHE 367 N 1.70 2.92 -4.61 0.00 7.35 -1.26 -4.67 117.46 118.89 2jla n PHE 367 Ca 0.06 -3.02 -0.28 0.00 -0.76 0.00 0.00 57.45 53.46 2jla n PHE 367 Cb 0.38 -2.46 -0.11 0.00 0.35 0.00 0.00 39.48 37.64 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 2.44 2.49 0.31 7.13 0.00 -1.26 -4.93 107.32 113.50 2jla s GLY 368 Ca 0.58 -2.20 0.07 0.00 0.00 0.00 0.00 44.72 43.16 2jla s GLY 368 CO -0.07 -2.08 1.74 1.05 0.00 0.00 0.00 173.10 173.74 2jla h GLU 369 N 1.79 0.27 -0.08 2.90 4.11 -1.95 0.28 114.58 121.89 2jla h GLU 369 Ca -0.44 -0.11 -0.00 0.00 0.07 0.00 0.00 59.36 58.88 2jla h GLU 369 Cb 1.24 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2jla h GLU 369 CO 0.80 0.58 0.05 0.00 0.07 0.00 0.00 179.01 180.51 2jla h ALA 370 N 1.41 0.11 -0.75 1.06 0.00 -1.91 0.21 119.26 119.39 2jla h ALA 370 Ca 0.03 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2jla h ALA 370 Cb 0.72 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2jla h ALA 370 CO 0.05 -0.36 0.24 1.96 0.00 0.00 0.00 179.25 181.15 2jla h GLN 371 N 0.05 1.17 -0.00 0.00 7.50 -1.76 -0.40 115.11 121.67 2jla h GLN 371 Ca 0.03 -0.25 0.03 0.00 0.50 0.00 0.00 58.65 58.96 2jla h GLN 371 Cb 0.07 -0.17 -0.04 0.00 0.05 0.00 0.00 27.48 27.39 2jla h GLN 371 CO -0.00 0.99 -0.21 1.25 -1.50 0.00 0.00 178.83 179.35 2jla h LEU 372 N 1.12 -0.63 -0.36 1.46 6.46 -0.03 0.61 115.31 123.95 2jla h LEU 372 Ca 0.24 0.09 0.07 0.00 -0.12 0.00 0.00 57.88 58.16 2jla h LEU 372 Cb 0.31 0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 40.43 2jla h LEU 372 CO -0.01 -0.28 -0.07 0.00 -0.62 0.00 0.00 178.44 177.46 2jla h ALA 373 N 0.54 0.26 -0.93 1.25 0.00 -0.42 -0.35 119.26 119.61 2jla h ALA 373 Ca 0.06 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.15 2jla h ALA 373 Cb 0.42 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 2jla h ALA 373 CO -0.20 -0.44 0.60 1.25 0.00 0.00 0.00 179.25 180.46 2jla h HIS 374 N 0.02 1.13 -0.25 0.00 -0.00 -0.46 -2.74 115.15 112.85 2jla h HIS 374 Ca 0.17 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.57 2jla h HIS 374 Cb 0.26 -0.37 0.00 0.00 -0.00 0.00 0.00 27.41 27.30 2jla h HIS 374 CO -0.30 0.62 0.00 0.54 -0.00 0.00 0.00 177.93 178.79 2jla n ARG 375 N -4.52 2.19 0.08 5.26 1.74 0.15 -4.50 116.66 117.06 2jla n ARG 375 Ca 0.13 -1.78 0.20 0.00 -0.77 0.00 0.00 57.85 55.63 2jla n ARG 375 Cb 0.12 -1.47 0.66 0.00 -1.02 0.00 0.00 32.46 30.76 2jla n ARG 375 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2jla h ILE 376 N 3.65 0.22 -0.70 0.55 6.09 -0.75 -1.72 117.51 124.85 2jla h ILE 376 Ca 0.00 0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.52 2jla h ILE 376 Cb 0.80 0.49 -0.04 0.00 0.47 0.00 0.00 36.82 38.53 2jla h ILE 376 CO 0.00 0.00 0.44 0.00 -3.07 0.00 0.00 178.15 175.52 2jla n ASP 378 N -4.66 0.00 -0.11 0.00 8.00 -0.64 -1.54 116.55 117.59 2jla n ASP 378 Ca 0.07 0.48 0.01 0.00 0.71 0.00 0.00 54.79 56.06 2jla n ASP 378 Cb 0.08 -0.48 0.02 0.00 -0.02 0.00 0.00 41.12 40.73 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 -1.48 0.07 -2.62 1.24 4.01 -0.64 -5.01 117.16 112.73 2jla n TYR 379 Ca 0.00 -0.44 -0.42 0.00 -0.16 0.00 0.00 57.90 56.88 2jla n TYR 379 Cb 0.02 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 38.98 2jla n TYR 379 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2jla s LEU 380 N -0.91 4.31 0.40 7.72 1.43 -0.59 -4.93 118.68 126.10 2jla s LEU 380 Ca 0.04 1.69 -0.27 0.00 -1.03 0.00 0.00 54.13 54.55 2jla s LEU 380 Cb 0.02 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.58 2jla s LEU 380 CO 0.03 -0.42 1.45 -2.16 0.23 0.00 0.00 176.35 175.48 2jla s PRO 381 N 1.63 3.98 0.09 1.29 0.04 -1.26 -4.94 135.00 135.82 2jla s PRO 381 Ca 0.52 2.48 -0.31 0.00 0.04 0.00 0.00 61.00 63.74 2jla s PRO 381 Cb -0.22 -2.86 -0.08 0.00 0.04 0.00 0.00 34.50 31.38 2jla s PRO 381 CO 0.23 -0.61 1.46 -1.21 0.04 0.00 0.00 177.00 176.92 2jla s GLU 382 N -2.20 4.28 -1.29 4.56 2.02 -1.26 -2.26 118.70 122.55 2jla s GLU 382 Ca 0.55 2.14 -0.02 0.00 0.02 0.00 0.00 54.97 57.66 2jla s GLU 382 Cb -0.45 -3.35 0.01 0.00 0.10 0.00 0.00 34.13 30.44 2jla s GLU 382 CO 0.60 -0.54 0.92 1.04 0.02 0.00 0.00 175.26 177.30 2jla n GLN 383 N 4.50 -6.14 -0.52 1.61 1.13 -1.26 -4.87 117.38 111.83 2jla n GLN 383 Ca 0.13 0.75 0.00 0.00 -1.94 0.00 0.00 57.00 55.94 2jla n GLN 383 Cb 0.42 -5.61 0.00 0.00 0.11 0.00 0.00 30.24 25.16 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 -1.45 6.50 3.07 1.08 0.00 -0.96 -4.35 105.19 109.08 2jla n GLY 384 Ca -0.23 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 2jla n GLY 384 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jla s GLN 385 N 0.22 0.47 -0.12 1.61 -0.21 -0.82 -4.36 119.66 116.46 2jla s GLN 385 Ca 0.00 -0.60 -0.01 0.00 0.02 0.00 0.00 55.36 54.77 2jla s GLN 385 Cb 0.00 0.18 -0.02 0.00 1.00 0.00 0.00 33.01 34.17 2jla s GLN 385 CO 0.00 -0.11 -0.08 -1.17 -2.12 0.00 0.00 175.29 171.81 2jla s LEU 386 N -1.69 3.04 -0.25 2.90 2.96 -0.70 -1.01 118.68 123.93 2jla s LEU 386 Ca -0.11 -0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 53.61 2jla s LEU 386 Cb -0.06 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.96 2jla s LEU 386 CO -0.01 0.23 -0.05 0.12 -1.32 0.00 0.00 176.35 175.32 2jla s PHE 387 N -0.02 3.07 -0.18 5.38 5.36 0.63 -0.52 117.98 131.70 2jla s PHE 387 Ca -0.01 -1.48 -0.12 0.00 -0.96 0.00 0.00 56.93 54.37 2jla s PHE 387 Cb -0.14 -2.08 -0.05 0.00 -0.34 0.00 0.00 43.02 40.42 2jla s PHE 387 CO 0.03 -0.71 0.20 0.08 -1.46 0.00 0.00 175.22 173.36 2jla s VAL 388 N 1.35 5.37 0.93 3.12 1.01 0.31 -2.29 120.40 130.20 2jla s VAL 388 Ca 0.01 0.35 -0.16 0.00 0.00 0.00 0.00 61.98 62.18 2jla s VAL 388 Cb -0.17 -3.54 0.22 0.00 0.00 0.00 0.00 36.38 32.90 2jla s VAL 388 CO -0.04 0.43 1.11 0.61 0.00 0.00 0.00 175.10 177.21 2jla n GLY 389 N 3.39 -1.86 0.00 4.51 0.00 0.12 -4.35 105.19 107.01 2jla n GLY 389 Ca -0.14 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2jla n GLY 389 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jla n ASN 390 N -4.03 0.00 0.00 1.61 3.02 -1.26 -3.74 115.26 110.86 2jla n ASN 390 Ca 0.14 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 54.02 2jla n ASN 390 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 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 -2.02 0.00 0.17 6.41 2.88 -1.26 -3.78 113.62 116.01 2jla n SER 391 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2jla n SER 391 Cb 0.00 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 63.72 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 0.00 0.10 2.46 5.85 -1.97 -3.31 115.31 118.44 2jla h LEU 392 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jla h LEU 392 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2jla h LEU 392 CO 0.00 0.48 -0.05 1.62 -0.34 0.00 0.00 178.44 180.15 2jla h VAL 393 N 0.00 1.03 -0.31 1.05 3.04 -1.85 -0.33 116.25 118.88 2jla h VAL 393 Ca -0.00 -0.47 0.03 0.00 -1.01 0.00 0.00 66.70 65.25 2jla h VAL 393 Cb 0.98 1.34 -0.03 0.00 -2.01 0.00 0.00 31.29 31.56 2jla h VAL 393 CO 0.06 0.12 0.11 1.62 -1.01 0.00 0.00 177.57 178.47 2jla h VAL 394 N -0.34 0.92 -0.67 1.51 3.04 -1.65 -0.29 116.25 118.76 2jla h VAL 394 Ca -0.01 -0.08 0.05 0.00 -1.01 0.00 0.00 66.70 65.64 2jla h VAL 394 Cb 0.29 0.65 -0.05 0.00 -2.01 0.00 0.00 31.29 30.17 2jla h VAL 394 CO 0.02 0.04 0.39 0.03 -1.01 0.00 0.00 177.57 177.05 2jla h ARG 395 N 0.24 0.71 -0.13 4.17 3.08 -1.64 0.56 114.38 121.38 2jla h ARG 395 Ca 0.14 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 2jla h ARG 395 Cb 0.11 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 2jla h ARG 395 CO -0.14 0.47 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.08 2jla h LEU 396 N 0.73 0.30 -0.38 3.04 3.38 -0.51 0.23 115.31 122.12 2jla h LEU 396 Ca 0.29 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2jla h LEU 396 Cb 0.13 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2jla h LEU 396 CO -0.16 0.67 0.24 0.40 0.09 0.00 0.00 178.44 179.68 2jla h ILE 397 N -0.07 1.11 -0.61 1.22 2.04 -0.92 0.25 117.51 120.53 2jla h ILE 397 Ca 0.03 -0.24 0.08 0.00 1.00 0.00 0.00 64.86 65.72 2jla h ILE 397 Cb 0.57 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 2jla h ILE 397 CO 0.02 0.11 0.28 -0.78 0.00 0.00 0.00 178.15 177.79 2jla h ASP 398 N 0.50 0.36 0.77 1.72 1.82 -0.84 -0.76 116.42 119.99 2jla h ASP 398 Ca 0.14 0.05 -0.23 0.00 -0.39 0.00 0.00 57.03 56.60 2jla h ASP 398 Cb -0.02 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 2jla h ASP 398 CO -0.03 0.23 -1.04 0.00 -1.61 0.00 0.00 179.24 176.79 2jla h ALA 399 N 1.37 0.32 0.00 -0.78 0.00 -0.06 -3.42 119.26 116.69 2jla h ALA 399 Ca 0.29 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 2jla h ALA 399 Cb 0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jla h ALA 399 CO -0.24 1.07 -1.20 1.28 0.00 0.00 0.00 179.25 180.16 2jla n LEU 400 N -3.49 0.00 -4.73 0.00 4.77 0.84 -4.15 117.00 110.23 2jla n LEU 400 Ca -0.04 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.70 2jla n LEU 400 Cb 0.93 0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.96 2jla n LEU 400 CO 0.49 0.01 -0.17 -0.94 -1.33 0.00 0.00 177.39 175.45 2jla s SER 401 N -2.63 4.44 -0.47 -1.43 1.04 -0.30 -4.65 113.70 109.69 2jla s SER 401 Ca -0.02 -1.03 0.03 0.00 0.48 0.00 0.00 55.95 55.41 2jla s SER 401 Cb 0.02 -0.51 0.13 0.00 0.10 0.00 0.00 66.02 65.76 2jla s SER 401 CO 0.17 -0.49 0.25 -1.58 0.98 0.00 0.00 173.24 172.57 2jla s GLN 402 N -3.88 1.60 0.47 4.02 0.74 -1.26 -4.62 119.66 116.73 2jla s GLN 402 Ca 0.40 -2.28 -0.23 0.00 0.05 0.00 0.00 55.36 53.30 2jla s GLN 402 Cb 0.03 -2.79 -0.07 0.00 1.10 0.00 0.00 33.01 31.27 2jla s GLN 402 CO 0.22 -1.13 1.18 -0.51 -0.55 0.00 0.00 175.29 174.50 2jla s LEU 403 N 0.07 3.98 0.40 3.68 1.43 -1.26 -4.97 118.68 122.00 2jla s LEU 403 Ca 0.17 2.34 -0.25 0.00 -1.03 0.00 0.00 54.13 55.36 2jla s LEU 403 Cb -0.25 -4.27 -0.08 0.00 0.03 0.00 0.00 46.19 41.61 2jla s LEU 403 CO 0.00 -1.01 1.15 -2.16 0.23 0.00 0.00 176.35 174.57 2jla s PRO 404 N -2.76 4.07 0.24 1.29 0.04 -1.26 -3.93 135.00 132.68 2jla s PRO 404 Ca 0.65 1.80 -0.31 0.00 0.04 0.00 0.00 61.00 63.18 2jla s PRO 404 Cb -0.29 -2.66 -0.14 0.00 0.04 0.00 0.00 34.50 31.45 2jla s PRO 404 CO 0.35 -0.30 1.37 0.00 0.04 0.00 0.00 177.00 178.47 2jla n ALA 405 N 0.06 0.92 -0.43 8.56 0.00 -1.26 -2.53 120.51 125.82 2jla n ALA 405 Ca 0.04 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2jla n ALA 405 Cb 0.47 -2.25 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 2.07 1.87 3.64 0.00 0.00 0.20 -4.88 105.19 108.09 2jla n GLY 406 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.34 3.06 0.09 1.61 5.04 -1.05 -4.74 117.35 118.02 2jla s TYR 407 Ca 0.00 1.16 -0.32 0.00 -2.44 0.00 0.00 57.07 55.48 2jla s TYR 407 Cb 0.00 -3.62 -0.11 0.00 0.35 0.00 0.00 41.96 38.58 2jla s TYR 407 CO 0.00 -1.03 1.83 -2.30 -1.34 0.00 0.00 175.55 172.71 2jla n PRO 408 N 6.80 2.66 -5.17 4.97 -0.02 -1.26 -4.84 135.00 138.14 2jla n PRO 408 Ca 0.13 0.97 -0.31 0.00 -2.02 0.00 0.00 63.50 62.27 2jla n PRO 408 Cb 0.46 -2.85 -0.17 0.00 -0.02 0.00 0.00 33.50 30.93 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 2.85 1.94 0.13 -1.45 1.01 -1.26 -1.71 120.40 121.91 2jla s VAL 409 Ca 0.84 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.91 2jla s VAL 409 Cb -0.53 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2jla s VAL 409 CO 0.40 0.54 -0.17 -0.31 0.00 0.00 0.00 175.10 175.55 2jla s TYR 410 N 0.12 1.65 0.14 5.22 1.51 0.32 -4.99 117.35 121.33 2jla s TYR 410 Ca -0.11 -0.48 -0.24 0.00 -1.01 0.00 0.00 57.07 55.22 2jla s TYR 410 Cb -0.16 -0.86 0.07 0.00 -0.11 0.00 0.00 41.96 40.91 2jla s TYR 410 CO 0.06 0.23 0.75 -1.54 -1.11 0.00 0.00 175.55 173.94 2jla s SER 411 N -2.39 -0.40 -0.94 2.29 1.04 -1.26 -0.53 113.70 111.51 2jla s SER 411 Ca 0.11 -0.18 -0.06 0.00 0.48 0.00 0.00 55.95 56.30 2jla s SER 411 Cb -0.07 0.55 0.24 0.00 0.10 0.00 0.00 66.02 66.84 2jla s SER 411 CO 0.05 -0.95 0.87 0.20 0.98 0.00 0.00 173.24 174.39 2jla s ASN 412 N -2.74 6.50 -0.03 7.02 0.01 -1.26 -4.87 114.94 119.56 2jla s ASN 412 Ca 0.06 -3.50 0.09 0.00 -0.71 0.00 0.00 52.86 48.80 2jla s ASN 412 Cb -0.02 -2.05 0.24 0.00 0.41 0.00 0.00 41.25 39.83 2jla s ASN 412 CO -0.06 -0.28 1.19 -1.14 -1.51 0.00 0.00 177.10 175.30 2jla n ARG 413 N 2.73 2.80 0.00 -0.60 3.00 -1.26 -3.48 116.66 119.84 2jla n ARG 413 Ca 0.20 -2.02 0.00 0.00 -0.00 0.00 0.00 57.85 56.03 2jla n ARG 413 Cb 0.39 -1.28 0.00 0.00 0.00 0.00 0.00 32.46 31.57 2jla n ARG 413 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jla n GLY 414 N -0.09 -1.37 0.70 5.14 0.00 -1.26 -4.34 105.19 103.97 2jla n GLY 414 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.24 2jla n GLY 414 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jla n ALA 415 N -1.20 2.52 -3.78 4.61 0.00 -1.26 -4.97 120.51 116.42 2jla n ALA 415 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 53.44 52.58 2jla n ALA 415 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.70 -4.05 -4.75 0.00 7.64 -1.23 -4.94 113.62 106.99 2jla n SER 416 Ca 0.17 -0.69 -0.37 0.00 1.01 0.00 0.00 58.87 58.99 2jla n SER 416 Cb 0.46 -3.30 0.03 0.00 -1.01 0.00 0.00 64.21 60.40 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 -3.06 2.81 -0.12 0.23 0.00 -1.26 -4.86 107.32 101.06 2jla s GLY 417 Ca 0.59 1.13 0.17 0.00 0.00 0.00 0.00 44.72 46.60 2jla s GLY 417 CO 0.72 1.58 1.55 0.29 0.00 0.00 0.00 173.10 177.24 2jla n ILE 418 N -1.28 1.87 0.33 0.90 -5.35 -1.26 -4.60 119.36 109.97 2jla n ILE 418 Ca 0.12 -1.31 0.12 0.00 -0.27 0.00 0.00 62.75 61.41 2jla n ILE 418 Cb 0.48 0.08 0.14 0.00 -1.74 0.00 0.00 39.64 38.61 2jla n ILE 418 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 2jla h ASP 419 N 3.39 0.00 -0.11 7.28 2.03 -1.92 -3.41 116.42 123.69 2jla h ASP 419 Ca 0.00 -0.06 -0.19 0.00 -0.73 0.00 0.00 57.03 56.05 2jla h ASP 419 Cb 1.39 0.00 -0.37 0.00 -0.83 0.00 0.00 39.33 39.52 2jla h ASP 419 CO 0.22 0.03 -1.00 0.61 -1.03 0.00 0.00 179.24 178.07 2jla n GLY 420 N 1.22 1.19 0.06 7.15 0.00 -1.26 -4.42 105.19 109.13 2jla n GLY 420 Ca 0.03 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 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 1.34 -0.02 -0.16 0.99 3.38 -1.87 -1.65 115.31 117.32 2jla h LEU 421 Ca -0.23 -0.56 0.04 0.00 0.09 0.00 0.00 57.88 57.22 2jla h LEU 421 Cb 1.70 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.42 2jla h LEU 421 CO 0.09 0.56 -0.06 -0.07 0.09 0.00 0.00 178.44 179.04 2jla h LEU 422 N -0.60 -0.22 -0.87 1.67 3.38 -1.88 0.78 115.31 117.56 2jla h LEU 422 Ca -0.00 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2jla h LEU 422 Cb 0.58 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2jla h LEU 422 CO 0.00 -0.09 0.18 0.77 0.09 0.00 0.00 178.44 179.39 2jla h SER 423 N -0.04 0.95 0.14 -0.43 4.64 -1.84 -0.78 113.55 116.19 2jla h SER 423 Ca 0.09 -0.18 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2jla h SER 423 Cb 0.17 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2jla h SER 423 CO -0.19 0.91 -0.09 0.74 -0.87 0.00 0.00 176.83 177.32 2jla h THR 424 N 0.97 0.80 -0.80 2.95 2.02 -1.11 -2.46 112.91 115.28 2jla h THR 424 Ca 0.21 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.56 2jla h THR 424 Cb 0.32 0.80 -0.11 0.00 -1.74 0.00 0.00 68.15 67.41 2jla h THR 424 CO -0.00 0.00 0.30 0.00 0.37 0.00 0.00 175.52 176.19 2jla h ALA 425 N 0.62 1.16 -0.74 6.16 0.00 -0.50 0.16 119.26 126.12 2jla h ALA 425 Ca -0.01 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.14 2jla h ALA 425 Cb 0.20 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 2jla h ALA 425 CO 0.01 -0.28 0.39 0.00 0.00 0.00 0.00 179.25 179.36 2jla h ALA 426 N 1.62 1.04 -0.29 0.00 0.00 -0.70 -1.67 119.26 119.25 2jla h ALA 426 Ca 0.46 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.25 2jla h ALA 426 Cb 0.78 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2jla h ALA 426 CO -0.47 -0.01 -0.48 0.78 0.00 0.00 0.00 179.25 179.07 2jla h GLY 427 N 0.65 0.87 0.39 0.00 0.00 -0.66 -2.63 103.07 101.69 2jla h GLY 427 Ca 0.36 -0.95 0.11 0.00 0.00 0.00 0.00 47.33 46.85 2jla h GLY 427 CO -0.26 0.85 0.36 -2.08 0.00 0.00 0.00 176.54 175.41 2jla h VAL 428 N 0.63 0.80 0.22 4.60 2.07 -0.18 -0.02 116.25 124.37 2jla h VAL 428 Ca 0.03 -0.20 -0.35 0.00 0.82 0.00 0.00 66.70 67.01 2jla h VAL 428 Cb 1.05 0.17 0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2jla h VAL 428 CO 0.10 0.11 -1.65 0.06 0.02 0.00 0.00 177.57 176.21 2jla h GLN 429 N 0.58 0.46 -0.58 1.57 -0.00 -1.43 -3.26 115.11 112.44 2jla h GLN 429 Ca 0.37 -0.78 0.09 0.00 -0.00 0.00 0.00 58.65 58.33 2jla h GLN 429 Cb 0.45 0.29 -0.07 0.00 -0.00 0.00 0.00 27.48 28.15 2jla h GLN 429 CO -0.30 1.37 0.22 0.00 -0.00 0.00 0.00 178.83 180.12 2jla h ARG 430 N 0.12 0.39 -0.78 0.06 3.08 -1.32 0.59 114.38 116.53 2jla h ARG 430 Ca -0.31 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.71 2jla h ARG 430 Cb 2.13 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 32.06 2jla h ARG 430 CO 0.22 0.26 0.48 0.00 -1.07 0.00 0.00 179.97 179.86 2jla h ALA 431 N 1.40 1.38 0.00 0.04 0.00 -1.10 -3.16 119.26 117.82 2jla h ALA 431 Ca 0.29 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 2jla h ALA 431 Cb 0.34 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2jla h ALA 431 CO -0.29 0.54 -2.17 -1.13 0.00 0.00 0.00 179.25 176.21 2jla n SER 432 N -4.39 0.05 -0.37 0.00 3.41 -0.99 -4.81 113.62 106.52 2jla n SER 432 Ca 0.08 0.02 -0.05 0.00 -0.26 0.00 0.00 58.87 58.67 2jla n SER 432 Cb 0.06 1.39 -0.02 0.00 -0.26 0.00 0.00 64.21 65.38 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 1.52 0.68 3.87 5.00 0.00 0.20 -5.02 105.19 111.44 2jla n GLY 433 Ca -0.19 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.86 3.79 0.21 1.61 1.02 -1.25 -4.60 119.74 118.67 2jla s LYS 434 Ca 0.00 0.48 -0.32 0.00 0.02 0.00 0.00 55.97 56.15 2jla s LYS 434 Cb 0.00 -2.40 -0.13 0.00 -0.52 0.00 0.00 37.83 34.78 2jla s LYS 434 CO 0.00 -0.02 1.54 -0.35 -0.92 0.00 0.00 175.35 175.60 2jla n PRO 435 N -1.22 2.28 -4.67 -1.68 -0.04 -1.26 -4.66 135.00 123.75 2jla n PRO 435 Ca 0.02 0.82 -0.24 0.00 -0.04 0.00 0.00 63.50 64.06 2jla n PRO 435 Cb 0.54 -2.56 -0.16 0.00 -0.04 0.00 0.00 33.50 31.28 2jla n PRO 435 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jla s THR 436 N 0.47 1.20 -0.22 0.52 2.01 -0.33 -1.94 115.64 117.35 2jla s THR 436 Ca 0.72 -0.58 -0.08 0.00 0.31 0.00 0.00 61.69 62.06 2jla s THR 436 Cb -0.62 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 2jla s THR 436 CO 0.43 0.35 0.10 -0.22 -0.69 0.00 0.00 174.62 174.59 2jla s LEU 437 N 0.17 3.84 0.05 4.42 2.96 -0.18 -0.90 118.68 129.04 2jla s LEU 437 Ca -0.05 0.03 0.07 0.00 -0.22 0.00 0.00 54.13 53.95 2jla s LEU 437 Cb -0.11 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 2jla s LEU 437 CO 0.02 0.09 -0.15 0.00 -1.32 0.00 0.00 176.35 174.99 2jla s ALA 438 N 0.89 2.73 -0.09 5.97 0.00 0.33 -0.26 121.76 131.32 2jla s ALA 438 Ca 0.05 -1.19 -0.08 0.00 0.00 0.00 0.00 51.96 50.75 2jla s ALA 438 Cb -0.13 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.19 2jla s ALA 438 CO 0.03 0.59 0.24 -1.50 0.00 0.00 0.00 175.76 175.12 2jla s ILE 439 N -1.00 -0.01 -0.28 0.00 2.07 -0.97 -0.48 121.20 120.54 2jla s ILE 439 Ca 0.16 0.03 -0.25 0.00 -1.41 0.00 0.00 60.65 59.18 2jla s ILE 439 Cb -0.11 -0.35 0.09 0.00 0.13 0.00 0.00 42.46 42.23 2jla s ILE 439 CO 0.07 0.01 0.87 -0.69 -1.91 0.00 0.00 174.94 173.29 2jla s VAL 440 N 0.33 0.00 1.00 4.00 1.01 -0.91 0.14 120.40 125.97 2jla s VAL 440 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.84 2jla s VAL 440 Cb -0.03 -1.00 0.19 0.00 0.00 0.00 0.00 36.38 35.54 2jla s VAL 440 CO -0.01 0.00 1.11 -0.83 0.00 0.00 0.00 175.10 175.36 2jla s GLY 441 N 0.33 1.57 0.10 4.51 0.00 -1.26 -1.47 107.32 111.09 2jla s GLY 441 Ca 0.01 -0.46 -0.16 0.00 0.00 0.00 0.00 44.72 44.11 2jla s GLY 441 CO -0.03 0.17 1.48 1.29 0.00 0.00 0.00 173.10 176.01 2jla h ASP 442 N -1.87 0.62 -0.33 1.64 2.03 -1.50 -1.79 116.42 115.21 2jla h ASP 442 Ca -0.54 -0.39 -0.04 0.00 -0.73 0.00 0.00 57.03 55.34 2jla h ASP 442 Cb 1.33 -0.17 -0.02 0.00 -0.83 0.00 0.00 39.33 39.64 2jla h ASP 442 CO 0.57 0.87 0.08 -0.07 -1.03 0.00 0.00 179.24 179.67 2jla h LEU 443 N 0.37 0.56 -0.04 0.15 3.38 -1.88 -1.30 115.31 116.55 2jla h LEU 443 Ca 0.07 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jla h LEU 443 Cb 0.62 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2jla h LEU 443 CO 0.04 0.57 0.02 0.28 0.09 0.00 0.00 178.44 179.44 2jla h SER 444 N 0.59 0.06 -0.59 -0.43 0.02 -1.80 0.13 113.55 111.54 2jla h SER 444 Ca 0.14 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 2jla h SER 444 Cb 0.25 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2jla h SER 444 CO -0.00 0.20 0.07 0.00 -1.14 0.00 0.00 176.83 175.96 2jla h ALA 445 N 0.86 0.96 -0.70 3.77 0.00 -1.16 -2.23 119.26 120.76 2jla h ALA 445 Ca 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2jla h ALA 445 Cb 0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2jla h ALA 445 CO -0.00 0.64 0.29 -0.07 0.00 0.00 0.00 179.25 180.11 2jla h LEU 446 N 0.95 0.95 -0.11 0.00 3.38 -1.18 -1.02 115.31 118.29 2jla h LEU 446 Ca 0.19 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.02 2jla h LEU 446 Cb 0.45 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2jla h LEU 446 CO 0.02 0.85 -0.03 0.22 0.09 0.00 0.00 178.44 179.59 2jla h TYR 447 N 0.99 -0.07 -0.89 1.13 -0.00 -0.18 -2.83 116.97 115.12 2jla h TYR 447 Ca 0.23 0.01 -0.54 0.00 -0.00 0.00 0.00 58.73 58.43 2jla h TYR 447 Cb 0.19 0.05 -0.28 0.00 -0.00 0.00 0.00 36.73 36.68 2jla h TYR 447 CO 0.01 -0.06 0.52 -3.47 -0.00 0.00 0.00 178.16 175.17 2jla n ASP 448 N -5.16 5.27 -0.32 -2.11 2.03 -0.89 -4.81 116.55 110.56 2jla n ASP 448 Ca -0.04 -3.72 0.00 0.00 0.52 0.00 0.00 54.79 51.55 2jla n ASP 448 Cb 0.09 -0.83 0.14 0.00 -0.72 0.00 0.00 41.12 39.80 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 1.50 0.90 0.00 -2.67 5.85 -0.92 -1.31 115.31 118.67 2jla h LEU 449 Ca 0.55 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.28 2jla h LEU 449 Cb 1.76 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.61 2jla h LEU 449 CO 1.18 0.59 0.00 -0.46 -0.34 0.00 0.00 178.44 179.41 2jla n ASN 450 N -4.58 0.00 0.11 1.25 0.23 -1.26 -2.33 115.26 108.68 2jla n ASN 450 Ca 0.13 0.38 0.11 0.00 -0.53 0.00 0.00 54.58 54.67 2jla n ASN 450 Cb 0.15 -0.44 0.46 0.00 -2.08 0.00 0.00 39.78 37.88 2jla n ASN 450 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jla n ALA 451 N -1.44 1.69 0.68 -2.53 0.00 -0.49 -2.36 120.51 116.06 2jla n ALA 451 Ca 0.04 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.62 2jla n ALA 451 Cb 0.14 -1.37 0.39 0.00 0.00 0.00 0.00 19.45 18.61 2jla n ALA 451 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2jla n LEU 452 N -2.11 0.00 -0.21 0.00 -0.00 -0.98 -0.96 117.00 112.74 2jla n LEU 452 Ca 0.02 0.40 0.01 0.00 -0.00 0.00 0.00 56.01 56.44 2jla n LEU 452 Cb 0.23 -0.40 0.12 0.00 -0.00 0.00 0.00 43.42 43.36 2jla n LEU 452 CO 0.19 -0.17 0.98 0.00 -0.00 0.00 0.00 177.39 178.39 2jla h ALA 453 N 2.68 0.81 -0.30 1.47 0.00 -1.72 -2.88 119.26 119.32 2jla h ALA 453 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2jla h ALA 453 Cb 0.23 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2jla h ALA 453 CO 0.00 -0.21 -0.29 -0.07 0.00 0.00 0.00 179.25 178.69 2jla h LEU 454 N 0.40 0.62 0.00 0.00 3.38 -1.27 -2.94 115.31 115.50 2jla h LEU 454 Ca 0.32 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jla h LEU 454 Cb 0.42 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2jla h LEU 454 CO -0.33 0.88 0.00 0.18 0.09 0.00 0.00 178.44 179.26 2jla n LEU 455 N -4.09 0.00 0.16 1.67 4.77 -1.09 -0.66 117.00 117.75 2jla n LEU 455 Ca -0.01 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.00 2jla n LEU 455 Cb 0.45 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.71 2jla n LEU 455 CO 0.44 0.00 0.54 0.03 -1.33 0.00 0.00 177.39 177.07 2jla h ARG 456 N 0.00 0.00 -3.60 3.23 3.08 -1.50 -3.37 114.38 112.23 2jla h ARG 456 Ca 0.00 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.32 2jla h ARG 456 Cb 0.00 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 29.73 2jla h ARG 456 CO 0.00 0.49 -0.15 -0.65 -1.07 0.00 0.00 179.97 178.59 2jla s GLN 457 N -3.27 3.05 0.01 0.04 -0.21 0.16 -4.94 119.66 114.50 2jla s GLN 457 Ca 0.02 -2.67 0.04 0.00 0.02 0.00 0.00 55.36 52.76 2jla s GLN 457 Cb 0.10 -4.00 -0.01 0.00 1.00 0.00 0.00 33.01 30.09 2jla s GLN 457 CO 0.72 -1.22 -0.11 0.54 -2.12 0.00 0.00 175.29 173.09 2jla s VAL 458 N -0.27 0.89 -2.45 1.09 0.11 -1.26 -4.97 120.40 113.54 2jla s VAL 458 Ca 0.20 -0.70 0.21 0.00 -2.93 0.00 0.00 61.98 58.75 2jla s VAL 458 Cb -0.15 -0.79 0.25 0.00 -1.53 0.00 0.00 36.38 34.16 2jla s VAL 458 CO -0.06 0.09 1.23 -1.54 -3.33 0.00 0.00 175.10 171.48 2jla n SER 459 N 2.36 2.94 -3.53 3.54 3.41 -1.26 -4.59 113.62 116.49 2jla n SER 459 Ca -0.16 -1.90 -0.11 0.00 -0.26 0.00 0.00 58.87 56.44 2jla n SER 459 Cb 0.56 -0.08 -0.02 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.60 -1.40 0.23 7.33 0.00 -1.26 -4.92 121.76 120.13 2jla s ALA 460 Ca 0.28 0.25 -0.32 0.00 0.00 0.00 0.00 51.96 52.18 2jla s ALA 460 Cb 0.19 0.86 -0.12 0.00 0.00 0.00 0.00 23.12 24.04 2jla s ALA 460 CO 0.27 -0.79 1.66 -0.35 0.00 0.00 0.00 175.76 176.55 2jla n PRO 461 N -0.37 2.66 -4.46 0.00 -0.04 -1.21 -4.03 135.00 127.55 2jla n PRO 461 Ca -0.15 0.96 -0.33 0.00 -0.04 0.00 0.00 63.50 63.94 2jla n PRO 461 Cb 0.64 -2.77 -0.16 0.00 -0.04 0.00 0.00 33.50 31.17 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 0.57 2.22 -0.24 1.53 0.20 -0.76 -1.19 118.68 121.00 2jla s LEU 462 Ca 0.72 -0.58 -0.12 0.00 0.69 0.00 0.00 54.13 54.84 2jla s LEU 462 Cb -0.53 -1.49 -0.05 0.00 -0.43 0.00 0.00 46.19 43.70 2jla s LEU 462 CO 0.39 0.05 0.21 -0.69 -0.29 0.00 0.00 176.35 176.02 2jla s VAL 463 N 0.97 5.32 -0.38 1.68 1.01 -0.08 -1.87 120.40 127.05 2jla s VAL 463 Ca -0.03 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 2jla s VAL 463 Cb -0.15 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.71 2jla s VAL 463 CO -0.05 0.30 0.22 -0.22 0.00 0.00 0.00 175.10 175.36 2jla s LEU 464 N 1.27 4.78 -0.16 3.92 2.96 0.03 -0.51 118.68 130.97 2jla s LEU 464 Ca 0.10 -1.01 -0.22 0.00 -0.22 0.00 0.00 54.13 52.78 2jla s LEU 464 Cb -0.14 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 2jla s LEU 464 CO 0.06 -0.40 0.66 -0.63 -1.32 0.00 0.00 176.35 174.73 2jla s ILE 465 N 1.56 5.02 -0.43 6.68 1.01 0.37 -0.73 121.20 134.68 2jla s ILE 465 Ca 0.02 1.29 -0.06 0.00 0.00 0.00 0.00 60.65 61.90 2jla s ILE 465 Cb -0.19 -3.98 0.11 0.00 0.01 0.00 0.00 42.46 38.40 2jla s ILE 465 CO 0.07 0.14 0.25 -0.69 0.00 0.00 0.00 174.94 174.72 2jla s VAL 466 N 1.61 3.76 -0.18 2.92 1.01 -0.57 -2.14 120.40 126.81 2jla s VAL 466 Ca 0.32 -1.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.19 2jla s VAL 466 Cb -0.16 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2jla s VAL 466 CO 0.12 -0.66 1.38 -0.69 0.00 0.00 0.00 175.10 175.25 2jla s VAL 467 N 1.27 4.07 -0.43 2.92 1.01 -0.54 -4.50 120.40 124.20 2jla s VAL 467 Ca 0.06 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.31 2jla s VAL 467 Cb -0.24 -3.91 0.12 0.00 0.00 0.00 0.00 36.38 32.35 2jla s VAL 467 CO -0.02 -0.21 0.19 0.21 0.00 0.00 0.00 175.10 175.27 2jla s ASN 468 N 2.63 4.96 -0.15 3.32 3.84 -1.26 -1.22 114.94 127.06 2jla s ASN 468 Ca 0.60 -2.33 0.16 0.00 0.21 0.00 0.00 52.86 51.50 2jla s ASN 468 Cb -0.23 -1.74 0.52 0.00 -0.55 0.00 0.00 41.25 39.25 2jla s ASN 468 CO 0.20 -0.42 1.42 -0.46 -2.79 0.00 0.00 177.10 175.05 2jla n ASN 469 N 4.12 3.86 -3.24 -4.21 0.23 -1.26 -1.67 115.26 113.09 2jla n ASN 469 Ca 0.02 -2.86 -0.15 0.00 -0.53 0.00 0.00 54.58 51.06 2jla n ASN 469 Cb 0.40 -0.51 0.08 0.00 -2.08 0.00 0.00 39.78 37.67 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 -0.27 -4.25 0.00 0.53 5.15 -1.26 -3.93 115.26 111.23 2jla n ASN 470 Ca 0.20 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.55 2jla n ASN 470 Cb 0.84 -4.95 0.00 0.00 -0.53 0.00 0.00 39.78 35.14 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 -1.18 3.10 3.36 8.20 0.00 -1.26 -4.06 105.19 113.35 2jla n GLY 471 Ca -0.17 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 43.65 2jla n GLY 471 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jla n GLY 472 N -1.68 1.72 0.00 -0.02 0.00 0.14 -4.75 105.19 100.61 2jla n GLY 472 Ca 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 46.02 45.09 2jla n GLY 472 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jla n GLN 473 N 7.71 0.07 0.26 1.61 1.13 -1.26 -1.59 117.38 125.31 2jla n GLN 473 Ca 0.47 0.25 0.15 0.00 -1.94 0.00 0.00 57.00 55.93 2jla n GLN 473 Cb 0.44 -1.50 0.84 0.00 0.11 0.00 0.00 30.24 30.13 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 0.60 -0.00 5.09 2.10 -1.95 -0.41 117.51 122.93 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 0.06 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 36.74 2jla h ILE 474 CO 0.00 0.00 -0.01 0.49 -1.08 0.00 0.00 178.15 177.55 2jla n PHE 475 N -3.98 0.00 0.07 2.19 3.01 -0.62 -1.81 117.46 116.33 2jla n PHE 475 Ca -0.01 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.28 2jla n PHE 475 Cb 0.17 -0.03 -0.14 0.00 -0.01 0.00 0.00 39.48 39.47 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 0.54 0.42 0.32 4.37 0.02 -1.28 -3.39 113.55 114.54 2jla h SER 476 Ca 0.00 -0.55 -0.02 0.00 -0.84 0.00 0.00 61.79 60.38 2jla h SER 476 Cb 0.15 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2jla h SER 476 CO 0.00 1.45 -0.15 0.25 -1.14 0.00 0.00 176.83 177.24 2jla h LEU 477 N 0.07 -0.36 -9.89 5.07 5.85 -1.42 -3.45 115.31 111.18 2jla h LEU 477 Ca -0.23 -0.17 -0.56 0.00 0.84 0.00 0.00 57.88 57.75 2jla h LEU 477 Cb 2.02 0.09 0.14 0.00 0.37 0.00 0.00 40.66 43.28 2jla h LEU 477 CO 0.17 0.08 0.45 0.18 -0.34 0.00 0.00 178.44 178.99 2jla n LEU 478 N -5.09 4.41 -2.03 2.25 4.77 -0.75 -4.83 117.00 115.74 2jla n LEU 478 Ca -0.08 1.01 -0.04 0.00 -0.03 0.00 0.00 56.01 56.86 2jla n LEU 478 Cb 0.26 -1.50 -0.06 0.00 -2.33 0.00 0.00 43.42 39.79 2jla n LEU 478 CO 0.25 -0.88 0.92 -0.81 -1.33 0.00 0.00 177.39 175.55 2jla n PRO 479 N -0.50 0.93 -2.12 3.23 -0.04 -1.26 -4.85 135.00 130.39 2jla n PRO 479 Ca 0.09 -0.36 -0.35 0.00 -0.04 0.00 0.00 63.50 62.85 2jla n PRO 479 Cb 0.43 -1.57 0.02 0.00 -0.04 0.00 0.00 33.50 32.33 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 1.48 3.09 0.42 0.52 -4.23 -1.26 -4.97 115.64 110.69 2jla s THR 480 Ca 0.24 0.64 -0.26 0.00 -1.18 0.00 0.00 61.69 61.13 2jla s THR 480 Cb 0.11 -3.23 -0.09 0.00 1.34 0.00 0.00 72.50 70.64 2jla s THR 480 CO 0.00 -0.18 1.35 -2.16 -0.54 0.00 0.00 174.62 173.09 2jla s PRO 481 N -3.45 3.89 0.04 3.99 0.04 -1.26 -4.94 135.00 133.30 2jla s PRO 481 Ca 0.72 2.26 -0.26 0.00 0.04 0.00 0.00 61.00 63.77 2jla s PRO 481 Cb -0.24 -2.74 -0.17 0.00 0.04 0.00 0.00 34.50 31.38 2jla s PRO 481 CO 0.31 -0.59 1.45 0.37 0.04 0.00 0.00 177.00 178.57 2jla h GLN 482 N 2.60 -0.27 0.00 4.56 5.75 -2.00 -3.13 115.11 122.62 2jla h GLN 482 Ca -0.50 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 2jla h GLN 482 Cb 1.25 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.86 2jla h GLN 482 CO 0.62 -0.02 0.00 -1.13 -2.65 0.00 0.00 178.83 175.65 2jla n SER 483 N -5.12 0.00 0.00 -0.69 3.41 -1.26 -2.30 113.62 107.67 2jla n SER 483 Ca -0.09 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2jla n SER 483 Cb 0.21 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 2jla n SER 483 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2jla n GLU 484 N -1.35 1.65 0.06 4.33 0.00 -1.25 -4.85 120.64 119.22 2jla n GLU 484 Ca 0.09 -1.06 -0.13 0.00 0.00 0.00 0.00 57.16 56.06 2jla n GLU 484 Cb 0.19 -0.84 -0.08 0.00 0.00 0.00 0.00 31.44 30.72 2jla n GLU 484 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2jla h ARG 485 N 0.00 -0.08 -0.33 3.44 2.43 -1.39 -1.53 114.38 116.92 2jla h ARG 485 Ca 0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2jla h ARG 485 Cb 0.58 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2jla h ARG 485 CO 0.00 0.04 0.21 1.49 -1.51 0.00 0.00 179.97 180.20 2jla h GLU 486 N -0.18 0.41 0.14 0.20 4.81 -1.89 0.20 114.58 118.26 2jla h GLU 486 Ca -0.01 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 58.99 2jla h GLU 486 Cb 0.16 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 29.47 2jla h GLU 486 CO 0.01 0.27 -0.91 -0.09 -0.73 0.00 0.00 179.01 177.57 2jla h ARG 487 N 0.42 0.37 -0.02 1.92 2.43 -1.90 -3.31 114.38 114.30 2jla h ARG 487 Ca 0.12 -0.58 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2jla h ARG 487 Cb -0.03 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2jla h ARG 487 CO -0.04 1.26 -0.02 1.19 -1.51 0.00 0.00 179.97 180.86 2jla n PHE 488 N -4.06 0.00 0.00 2.20 3.01 -0.58 -4.79 117.46 113.24 2jla n PHE 488 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.32 2jla n PHE 488 Cb 0.85 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.32 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 0.80 0.00 0.00 1.38 4.01 -0.81 -5.02 117.16 117.53 2jla n TYR 489 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 2jla n TYR 489 Cb 0.38 0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 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 -2.43 0.00 -3.89 7.72 4.77 0.64 -4.62 117.00 119.18 2jla n LEU 490 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 2jla n LEU 490 Cb 0.00 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 40.93 2jla n LEU 490 CO 0.00 0.00 -0.40 -2.16 -1.33 0.00 0.00 177.39 173.50 2jla s PRO 492 N 0.00 0.57 0.00 3.23 0.04 -1.26 -0.69 135.00 136.90 2jla s PRO 492 Ca 0.00 -0.08 0.22 0.00 0.04 0.00 0.00 61.00 61.17 2jla s PRO 492 Cb 0.00 -0.61 -0.13 0.00 0.04 0.00 0.00 34.50 33.79 2jla s PRO 492 CO 0.00 -0.03 0.98 1.04 0.04 0.00 0.00 177.00 179.03 2jla n GLN 493 N 3.73 0.57 -3.51 4.56 1.13 -1.26 -4.96 117.38 117.63 2jla n GLN 493 Ca -0.22 -0.45 -0.32 0.00 -1.94 0.00 0.00 57.00 54.07 2jla n GLN 493 Cb 0.53 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.42 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 -0.83 -5.60 -3.65 1.08 3.02 -1.26 -4.97 115.26 103.04 2jla n ASN 494 Ca 0.06 -0.30 -0.13 0.00 -0.03 0.00 0.00 54.58 54.19 2jla n ASN 494 Cb 0.39 -2.07 -0.06 0.00 -0.61 0.00 0.00 39.78 37.44 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 -1.99 0.05 0.33 2.41 0.11 -1.26 -5.19 120.40 114.88 2jla s VAL 495 Ca 0.27 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.90 2jla s VAL 495 Cb -0.03 -0.99 -0.01 0.00 -1.53 0.00 0.00 36.38 33.82 2jla s VAL 495 CO 0.87 -0.25 0.12 1.41 -3.33 0.00 0.00 175.10 173.92 2jla n HIS 496 N 0.38 0.11 -0.02 1.54 8.25 -1.26 -5.02 115.22 119.20 2jla n HIS 496 Ca -0.18 -2.14 0.00 0.00 -0.26 0.00 0.00 57.72 55.14 2jla n HIS 496 Cb 0.60 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 2jla n HIS 496 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2jla n PHE 497 N -0.75 0.00 -0.31 4.41 3.72 -1.26 -4.69 117.46 118.58 2jla n PHE 497 Ca -0.05 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.41 2jla n PHE 497 Cb 0.50 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.19 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 0.00 0.01 -0.28 -1.08 4.81 -1.98 -1.17 114.58 114.90 2jla h GLU 498 Ca 0.00 -0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 2jla h GLU 498 Cb 0.01 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2jla h GLU 498 CO 0.00 0.01 -0.57 0.45 -0.73 0.00 0.00 179.01 178.17 2jla h HIS 499 N 0.01 1.10 0.37 0.92 3.86 -1.99 -1.42 115.15 118.01 2jla h HIS 499 Ca 0.45 -0.40 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2jla h HIS 499 Cb 0.75 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.99 2jla h HIS 499 CO -0.63 1.24 -0.41 0.00 0.86 0.00 0.00 177.93 178.98 2jla h ALA 500 N 0.67 -0.88 -0.37 2.45 0.00 -1.71 -2.86 119.26 116.55 2jla h ALA 500 Ca 0.01 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.86 2jla h ALA 500 Cb 1.18 0.61 -0.09 0.00 0.00 0.00 0.00 17.79 19.49 2jla h ALA 500 CO 0.13 -1.04 -0.34 0.00 0.00 0.00 0.00 179.25 178.00 2jla h ALA 501 N -0.45 -0.23 0.00 0.00 0.00 -1.23 -2.87 119.26 114.48 2jla h ALA 501 Ca -0.03 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jla h ALA 501 Cb 0.74 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2jla h ALA 501 CO -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 179.25 178.41 2jla n ALA 502 N -2.99 0.98 0.00 0.00 0.00 -0.54 -0.80 120.51 117.16 2jla n ALA 502 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jla n ALA 502 Cb 0.34 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2jla n ALA 502 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2jla n PHE 504 N 0.94 0.00 -3.95 0.00 3.72 -1.08 -4.50 117.46 112.59 2jla n PHE 504 Ca 0.00 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.14 2jla n PHE 504 Cb 0.00 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 2jla n PHE 504 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2jla n GLU 505 N 0.00 -3.03 -4.33 -1.08 1.02 -0.39 -4.86 120.64 107.96 2jla n GLU 505 Ca 0.00 0.39 -0.34 0.00 -0.02 0.00 0.00 57.16 57.19 2jla n GLU 505 Cb 0.00 -4.44 -0.09 0.00 -0.02 0.00 0.00 31.44 26.89 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 -6.95 3.57 0.48 -4.62 1.43 0.02 -5.06 118.68 107.55 2jla s LEU 506 Ca 0.04 0.09 -0.23 0.00 -1.03 0.00 0.00 54.13 53.00 2jla s LEU 506 Cb -0.02 -1.91 -0.07 0.00 0.03 0.00 0.00 46.19 44.23 2jla s LEU 506 CO 0.89 0.34 1.28 -0.54 0.23 0.00 0.00 176.35 178.55 2jla s LYS 507 N -1.16 3.57 -0.00 1.70 1.02 -1.20 -4.21 119.74 119.45 2jla s LYS 507 Ca 0.16 2.07 -0.00 0.00 0.02 0.00 0.00 55.97 58.22 2jla s LYS 507 Cb -0.11 -2.45 0.01 0.00 -0.52 0.00 0.00 37.83 34.76 2jla s LYS 507 CO 0.06 -0.79 0.01 -0.47 -0.92 0.00 0.00 175.35 173.23 2jla s TYR 508 N -1.37 0.01 0.19 3.18 5.04 -1.26 -1.00 117.35 122.14 2jla s TYR 508 Ca 0.65 0.03 0.02 0.00 -2.44 0.00 0.00 57.07 55.33 2jla s TYR 508 Cb -0.36 -0.05 -0.05 0.00 0.35 0.00 0.00 41.96 41.85 2jla s TYR 508 CO 0.44 -0.02 0.01 -1.01 -1.34 0.00 0.00 175.55 173.63 2jla s HIS 509 N 0.24 1.31 -0.43 4.97 3.76 -0.12 -4.98 115.29 120.04 2jla s HIS 509 Ca -0.02 -1.02 0.07 0.00 -0.15 0.00 0.00 55.06 53.95 2jla s HIS 509 Cb -0.03 -0.75 0.24 0.00 1.11 0.00 0.00 32.58 33.15 2jla s HIS 509 CO -0.01 -0.19 0.66 -2.13 -0.85 0.00 0.00 174.74 172.22 2jla n ARG 510 N -0.30 0.72 -2.08 1.40 0.63 -1.26 -1.50 116.66 114.26 2jla n ARG 510 Ca -0.06 -2.63 -0.41 0.00 -0.92 0.00 0.00 57.85 53.84 2jla n ARG 510 Cb 0.64 -1.33 -0.02 0.00 0.45 0.00 0.00 32.46 32.20 2jla n ARG 510 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2jla s PRO 511 N -0.38 4.33 0.00 -0.14 0.04 -1.26 -4.94 135.00 132.64 2jla s PRO 511 Ca 0.34 2.25 0.23 0.00 0.04 0.00 0.00 61.00 63.86 2jla s PRO 511 Cb 0.18 -3.06 0.15 0.00 0.04 0.00 0.00 34.50 31.81 2jla s PRO 511 CO -0.16 -0.23 1.17 1.04 0.04 0.00 0.00 177.00 178.86 2jla n GLN 512 N 0.80 0.68 -3.81 4.56 1.13 -1.26 -4.82 117.38 114.66 2jla n GLN 512 Ca 0.00 -0.52 -0.05 0.00 -1.94 0.00 0.00 57.00 54.49 2jla n GLN 512 Cb 0.41 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.27 2jla n GLN 512 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2jla s ASN 513 N -2.68 -0.16 0.23 1.08 2.20 -1.26 -5.05 114.94 109.31 2jla s ASN 513 Ca 0.16 -0.59 -0.06 0.00 -0.94 0.00 0.00 52.86 51.43 2jla s ASN 513 Cb 0.18 0.61 0.36 0.00 -2.00 0.00 0.00 41.25 40.40 2jla s ASN 513 CO 0.65 -1.15 1.79 -0.50 -2.94 0.00 0.00 177.10 174.96 2jla h TRP 514 N 2.00 0.72 -0.69 1.54 4.06 -1.95 -1.92 115.95 119.72 2jla h TRP 514 Ca -0.24 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.74 2jla h TRP 514 Cb 1.24 -0.21 -0.03 0.00 -1.00 0.00 0.00 29.16 29.15 2jla h TRP 514 CO 0.63 0.28 0.44 0.37 -3.56 0.00 0.00 178.44 176.59 2jla h GLN 515 N 0.68 0.93 -0.47 0.49 5.75 -1.99 0.81 115.11 121.30 2jla h GLN 515 Ca 0.37 -0.07 -0.14 0.00 -0.15 0.00 0.00 58.65 58.66 2jla h GLN 515 Cb 0.37 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 2jla h GLN 515 CO -0.26 0.64 -0.23 0.93 -2.65 0.00 0.00 178.83 177.25 2jla h GLU 516 N 0.94 0.99 -0.39 1.69 5.08 -1.83 -1.38 114.58 119.68 2jla h GLU 516 Ca 0.25 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2jla h GLU 516 Cb -0.07 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2jla h GLU 516 CO -0.05 1.11 0.24 1.25 -1.00 0.00 0.00 179.01 180.56 2jla h LEU 517 N 0.85 0.46 -0.79 1.33 5.85 -0.95 -0.81 115.31 121.26 2jla h LEU 517 Ca 0.11 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.86 2jla h LEU 517 Cb 0.82 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 2jla h LEU 517 CO 0.07 0.36 0.46 -0.08 -0.34 0.00 0.00 178.44 178.91 2jla h GLU 518 N 0.52 0.80 -0.19 1.25 4.81 -0.68 -0.28 114.58 120.80 2jla h GLU 518 Ca 0.14 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2jla h GLU 518 Cb -0.02 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 2jla h GLU 518 CO -0.03 0.53 0.07 1.15 -0.73 0.00 0.00 179.01 180.00 2jla h THR 519 N 0.82 1.17 -0.87 0.32 2.02 -0.90 -1.77 112.91 113.71 2jla h THR 519 Ca 0.36 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 2jla h THR 519 Cb 0.24 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 2jla h THR 519 CO -0.20 0.17 0.51 0.00 0.37 0.00 0.00 175.52 176.36 2jla h ALA 520 N 0.91 1.11 0.26 6.16 0.00 -0.70 -2.02 119.26 124.97 2jla h ALA 520 Ca 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2jla h ALA 520 Cb 0.19 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2jla h ALA 520 CO -0.00 0.59 -0.13 0.74 0.00 0.00 0.00 179.25 180.45 2jla h PHE 521 N 1.20 -0.33 -0.76 0.00 0.04 -0.94 -1.29 116.94 114.86 2jla h PHE 521 Ca 0.31 -0.01 0.12 0.00 2.80 0.00 0.00 57.97 61.20 2jla h PHE 521 Cb -0.02 0.11 -0.09 0.00 2.20 0.00 0.00 35.95 38.15 2jla h PHE 521 CO 0.00 -0.17 0.35 0.00 -0.60 0.00 0.00 178.31 177.90 2jla h ALA 522 N 0.33 1.08 -0.53 2.45 0.00 -0.97 0.95 119.26 122.57 2jla h ALA 522 Ca -0.04 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2jla h ALA 522 Cb 0.30 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2jla h ALA 522 CO 0.06 -0.12 -0.02 0.22 0.00 0.00 0.00 179.25 179.38 2jla h ASP 523 N 0.55 0.95 -0.91 0.00 3.58 -1.28 -3.23 116.42 116.07 2jla h ASP 523 Ca 0.40 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2jla h ASP 523 Cb 0.54 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 2jla h ASP 523 CO -0.34 1.04 0.58 0.00 -2.88 0.00 0.00 179.24 177.63 2jla h ALA 524 N 0.94 1.15 0.00 -0.78 0.00 0.38 -2.43 119.26 118.53 2jla h ALA 524 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jla h ALA 524 Cb 0.57 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jla h ALA 524 CO 0.03 0.58 0.00 0.91 0.00 0.00 0.00 179.25 180.77 2jla n TRP 525 N -4.42 0.25 1.86 0.00 5.03 -0.76 -3.20 117.44 116.20 2jla n TRP 525 Ca 0.10 0.09 0.16 0.00 3.03 0.00 0.00 57.50 60.88 2jla n TRP 525 Cb 0.03 -0.65 0.90 0.00 -1.03 0.00 0.00 31.31 30.56 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 -1.72 0.89 -3.73 -0.99 1.74 -0.92 -4.79 116.66 107.14 2jla n ARG 526 Ca 0.04 -0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.97 2jla n ARG 526 Cb 0.21 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.05 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 -2.13 -0.01 -1.16 0.55 -1.32 -1.19 -5.07 115.64 105.31 2jla s THR 527 Ca 0.43 0.03 -0.14 0.00 -1.21 0.00 0.00 61.69 60.80 2jla s THR 527 Cb 0.22 -0.53 -0.06 0.00 -1.51 0.00 0.00 72.50 70.61 2jla s THR 527 CO 0.39 0.01 2.24 -0.81 -2.21 0.00 0.00 174.62 174.24 2jla n PRO 528 N 3.25 2.42 -4.05 7.08 -0.04 -1.26 -3.35 135.00 139.04 2jla n PRO 528 Ca -0.16 -2.06 -0.11 0.00 -0.04 0.00 0.00 63.50 61.13 2jla n PRO 528 Cb 0.57 -2.92 -0.06 0.00 -0.04 0.00 0.00 33.50 31.05 2jla n PRO 528 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2jla s THR 529 N 3.63 0.00 -0.28 0.52 -4.23 -1.26 -4.53 115.64 109.50 2jla s THR 529 Ca 0.53 -1.56 -0.17 0.00 -1.18 0.00 0.00 61.69 59.31 2jla s THR 529 Cb 0.14 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.61 2jla s THR 529 CO -0.01 0.00 0.46 -0.89 -0.54 0.00 0.00 174.62 173.64 2jla s THR 530 N -3.86 5.10 -0.25 3.99 2.01 -1.26 -1.84 115.64 119.53 2jla s THR 530 Ca 0.27 0.66 -0.09 0.00 0.31 0.00 0.00 61.69 62.84 2jla s THR 530 Cb 0.01 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2jla s THR 530 CO 0.12 0.06 0.12 -0.89 -0.69 0.00 0.00 174.62 173.33 2jla s THR 531 N 2.24 4.85 -0.23 -0.82 2.01 -0.78 -3.27 115.64 119.64 2jla s THR 531 Ca 0.18 0.01 -0.23 0.00 0.31 0.00 0.00 61.69 61.96 2jla s THR 531 Cb -0.16 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 2jla s THR 531 CO 0.10 0.33 0.74 -0.69 -0.69 0.00 0.00 174.62 174.41 2jla s VAL 532 N 1.41 4.91 -0.24 3.82 1.01 -0.17 -0.79 120.40 130.35 2jla s VAL 532 Ca 0.06 1.40 -0.03 0.00 0.00 0.00 0.00 61.98 63.41 2jla s VAL 532 Cb -0.15 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.20 2jla s VAL 532 CO 0.06 0.00 -0.05 -0.63 0.00 0.00 0.00 175.10 174.48 2jla s ILE 533 N 2.48 3.11 0.00 2.22 1.01 0.09 -0.95 121.20 129.16 2jla s ILE 533 Ca 0.32 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.18 2jla s ILE 533 Cb -0.16 -2.50 0.00 0.00 0.01 0.00 0.00 42.46 39.81 2jla s ILE 533 CO 0.09 0.29 0.00 1.21 0.00 0.00 0.00 174.94 176.53 2jla n GLU 534 N 4.73 2.34 -3.47 2.79 2.13 -0.56 -1.52 120.64 127.07 2jla n GLU 534 Ca -0.17 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.65 2jla n GLU 534 Cb 0.49 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.15 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 1.52 -0.54 0.02 6.31 1.01 -1.26 -4.31 120.40 123.15 2jla s VAL 536 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 2jla s VAL 536 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 2jla s VAL 536 CO 0.00 0.00 -0.04 -0.69 0.00 0.00 0.00 175.10 174.37 2jla s VAL 537 N 2.42 0.23 0.20 2.92 1.01 -0.67 -4.99 120.40 121.52 2jla s VAL 537 Ca -0.04 -0.72 -0.32 0.00 0.00 0.00 0.00 61.98 60.90 2jla s VAL 537 Cb -0.07 -0.31 -0.13 0.00 0.00 0.00 0.00 36.38 35.87 2jla s VAL 537 CO -0.18 -0.32 1.65 0.59 0.00 0.00 0.00 175.10 176.85 2jla n ASN 538 N 1.97 3.64 -0.32 3.32 5.03 -1.26 -4.13 115.26 123.51 2jla n ASN 538 Ca -0.20 1.08 0.29 0.00 0.87 0.00 0.00 54.58 56.61 2jla n ASN 538 Cb 0.56 -1.52 0.53 0.00 -1.02 0.00 0.00 39.78 38.33 2jla n ASN 538 CO 0.00 0.00 0.00 -2.24 -1.83 0.00 0.00 177.26 173.19 2jla h ASP 539 N 6.19 0.25 0.00 6.41 3.04 -1.91 -2.86 116.42 127.55 2jla h ASP 539 Ca -0.44 0.25 0.00 0.00 -3.24 0.00 0.00 57.03 53.60 2jla h ASP 539 Cb 1.22 0.28 0.00 0.00 -1.04 0.00 0.00 39.33 39.79 2jla h ASP 539 CO 0.91 -0.38 0.00 1.07 -2.04 0.00 0.00 179.24 178.80 2jla n THR 540 N -5.26 0.11 0.06 1.15 5.66 -1.26 -4.65 114.28 110.10 2jla n THR 540 Ca 0.35 -0.51 -0.01 0.00 -3.05 0.00 0.00 64.05 60.84 2jla n THR 540 Cb 1.18 1.03 0.28 0.00 -1.55 0.00 0.00 70.33 71.26 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 0.00 0.36 0.10 1.09 5.19 -1.90 -2.64 116.42 118.62 2jla h ASP 541 Ca 0.00 -0.10 -0.25 0.00 -0.62 0.00 0.00 57.03 56.05 2jla h ASP 541 Cb 0.11 -0.10 0.03 0.00 0.18 0.00 0.00 39.33 39.55 2jla h ASP 541 CO 0.00 0.57 -1.06 1.23 -3.12 0.00 0.00 179.24 176.87 2jla h GLY 542 N 0.94 0.61 0.91 2.75 0.00 -1.82 -2.10 103.07 104.35 2jla h GLY 542 Ca 0.06 -1.26 -0.08 0.00 0.00 0.00 0.00 47.33 46.05 2jla h GLY 542 CO 0.04 1.11 -0.10 0.00 0.00 0.00 0.00 176.54 177.59 2jla h ALA 543 N 0.26 0.44 0.26 3.60 0.00 -1.87 -2.32 119.26 119.63 2jla h ALA 543 Ca -0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2jla h ALA 543 Cb 1.76 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2jla h ALA 543 CO 0.20 0.29 -0.22 1.96 0.00 0.00 0.00 179.25 181.48 2jla h GLN 544 N 0.40 -0.48 -0.94 0.00 4.20 -1.54 -2.48 115.11 114.26 2jla h GLN 544 Ca 0.08 0.03 0.22 0.00 0.06 0.00 0.00 58.65 59.04 2jla h GLN 544 Cb 0.60 0.11 -0.12 0.00 0.30 0.00 0.00 27.48 28.37 2jla h GLN 544 CO 0.04 -0.32 0.49 1.15 -0.67 0.00 0.00 178.83 179.52 2jla h THR 545 N -0.50 0.55 0.77 -0.54 2.02 -1.30 0.11 112.91 114.02 2jla h THR 545 Ca -0.01 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 2jla h THR 545 Cb 0.45 -0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.84 2jla h THR 545 CO -0.02 0.10 -0.37 0.25 0.37 0.00 0.00 175.52 175.84 2jla h LEU 546 N 0.52 -0.88 -0.65 2.58 5.85 -1.08 -0.67 115.31 120.99 2jla h LEU 546 Ca 0.58 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.40 2jla h LEU 546 Cb 1.06 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 42.26 2jla h LEU 546 CO -0.48 -0.62 0.33 1.56 -0.34 0.00 0.00 178.44 178.90 2jla h GLN 547 N -1.06 0.59 -0.52 1.25 4.20 -0.89 0.52 115.11 119.20 2jla h GLN 547 Ca -0.11 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.58 2jla h GLN 547 Cb 0.80 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 2jla h GLN 547 CO 0.17 0.39 0.33 1.96 -0.67 0.00 0.00 178.83 181.01 2jla h GLN 548 N 0.60 0.64 -0.03 1.46 4.20 -0.73 -0.51 115.11 120.75 2jla h GLN 548 Ca 0.30 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.86 2jla h GLN 548 Cb 0.25 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2jla h GLN 548 CO -0.22 0.43 -0.52 -0.07 -0.67 0.00 0.00 178.83 177.78 2jla h LEU 549 N 0.66 0.08 -0.52 1.46 3.38 -0.35 -1.90 115.31 118.13 2jla h LEU 549 Ca 0.20 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 2jla h LEU 549 Cb -0.04 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2jla h LEU 549 CO -0.06 0.59 -0.13 0.25 0.09 0.00 0.00 178.44 179.18 2jla h LEU 550 N 0.06 1.01 -0.02 1.67 5.85 -0.39 -2.27 115.31 121.22 2jla h LEU 550 Ca -0.00 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 2jla h LEU 550 Cb 0.94 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 2jla h LEU 550 CO 0.07 1.14 0.01 0.00 -0.34 0.00 0.00 178.44 179.32 2jla h ALA 551 N 0.91 0.03 -0.37 1.25 0.00 -0.92 -1.44 119.26 118.72 2jla h ALA 551 Ca 0.13 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2jla h ALA 551 Cb 0.70 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2jla h ALA 551 CO 0.05 -0.43 0.12 0.37 0.00 0.00 0.00 179.25 179.35 2jla h GLN 552 N -0.05 0.25 -0.00 0.00 4.15 -1.31 -2.23 115.11 115.92 2jla h GLN 552 Ca 0.01 -0.02 -0.15 0.00 0.77 0.00 0.00 58.65 59.26 2jla h GLN 552 Cb 0.08 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 2jla h GLN 552 CO -0.00 0.17 -0.72 0.28 -1.93 0.00 0.00 178.83 176.63 2jla h VAL 553 N 0.26 1.50 0.00 2.39 2.07 -1.44 -2.97 116.25 118.07 2jla h VAL 553 Ca 0.17 -2.43 -0.03 0.00 0.82 0.00 0.00 66.70 65.23 2jla h VAL 553 Cb 0.16 2.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2jla h VAL 553 CO -0.19 0.70 -0.14 0.77 0.02 0.00 0.00 177.57 178.73 2jla h SER 554 N 0.02 0.00 -0.06 0.57 4.64 -0.68 -2.70 113.55 115.34 2jla h SER 554 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2jla h SER 554 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2jla h SER 554 CO 0.10 0.14 0.00 1.41 -0.87 0.00 0.00 176.83 177.60 2jla n HIS 555 N -3.62 0.05 0.58 4.77 8.25 -0.95 -4.56 115.22 119.75 2jla n HIS 555 Ca -0.02 -0.03 0.05 0.00 -0.26 0.00 0.00 57.72 57.46 2jla n HIS 555 Cb 0.27 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.65 2jla n HIS 555 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26