#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jag n VAL 23 N 0.00 1.34 -2.16 0.00 0.24 -1.26 -4.86 118.33 111.64 2jag n VAL 23 Ca 0.00 -0.58 -0.42 0.00 -2.04 0.00 0.00 64.34 61.29 2jag n VAL 23 Cb 0.00 -1.58 -0.03 0.00 -1.47 0.00 0.00 33.84 30.76 2jag n VAL 23 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2jag s ARG 24 N 1.64 4.29 0.00 7.34 3.52 -1.26 -4.88 118.95 129.59 2jag s ARG 24 Ca 0.22 2.06 0.00 0.00 -0.13 0.00 0.00 55.73 57.89 2jag s ARG 24 Cb 0.11 -3.44 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 2jag s ARG 24 CO 0.00 -0.54 0.72 0.39 -0.81 0.00 0.00 175.30 175.05 2jag n GLU 25 N 4.82 1.17 -2.56 5.12 1.02 -1.26 -4.99 120.64 123.96 2jag n GLU 25 Ca 0.13 -0.97 -0.43 0.00 -0.02 0.00 0.00 57.16 55.87 2jag n GLU 25 Cb 0.43 -0.91 -0.02 0.00 -0.02 0.00 0.00 31.44 30.91 2jag n GLU 25 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2jag s ASN 26 N -0.50 6.59 0.26 1.62 3.84 -1.26 -4.89 114.94 120.60 2jag s ASN 26 Ca 0.00 0.54 0.01 0.00 0.21 0.00 0.00 52.86 53.62 2jag s ASN 26 Cb 0.00 -2.55 0.33 0.00 -0.55 0.00 0.00 41.25 38.48 2jag s ASN 26 CO 0.00 -1.27 1.67 0.00 -2.79 0.00 0.00 177.10 174.71 2jag h ALA 27 N 9.43 1.00 -0.20 1.71 0.00 -1.98 -0.85 119.26 128.37 2jag h ALA 27 Ca -0.24 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.30 2jag h ALA 27 Cb 1.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2jag h ALA 27 CO 1.12 0.60 0.10 1.25 0.00 0.00 0.00 179.25 182.32 2jag h LEU 28 N 0.45 0.16 0.05 0.00 5.85 -1.95 0.89 115.31 120.76 2jag h LEU 28 Ca 0.06 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2jag h LEU 28 Cb 0.76 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.76 2jag h LEU 28 CO 0.06 0.12 -0.02 0.25 -0.34 0.00 0.00 178.44 178.51 2jag h LEU 29 N 0.22 -0.05 -0.46 2.25 5.85 -1.78 -2.98 115.31 118.36 2jag h LEU 29 Ca 0.08 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.51 2jag h LEU 29 Cb 0.01 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2jag h LEU 29 CO -0.05 0.31 0.21 0.28 -0.34 0.00 0.00 178.44 178.85 2jag h SER 30 N -0.42 0.28 -0.28 1.25 0.02 -1.03 -2.66 113.55 110.71 2jag h SER 30 Ca -0.01 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2jag h SER 30 Cb 0.38 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 2jag h SER 30 CO 0.01 0.20 0.07 0.77 -1.14 0.00 0.00 176.83 176.74 2jag h SER 31 N 0.42 0.49 0.52 3.07 4.64 -0.87 -2.14 113.55 119.68 2jag h SER 31 Ca 0.21 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2jag h SER 31 Cb 0.15 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2jag h SER 31 CO -0.17 0.51 0.00 0.77 -0.87 0.00 0.00 176.83 177.07 2jag h SER 32 N 0.52 0.00 0.02 4.97 4.64 -1.31 -1.88 113.55 120.51 2jag h SER 32 Ca 0.12 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.06 2jag h SER 32 Cb 0.23 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.27 2jag h SER 32 CO -0.00 0.00 -2.13 0.18 -0.87 0.00 0.00 176.83 174.01 2jag n LEU 33 N -2.90 2.20 -0.04 5.97 4.77 -0.85 -4.28 117.00 121.87 2jag n LEU 33 Ca -0.01 0.26 -0.01 0.00 -0.03 0.00 0.00 56.01 56.22 2jag n LEU 33 Cb 0.18 -0.91 0.27 0.00 -2.33 0.00 0.00 43.42 40.63 2jag n LEU 33 CO 0.22 0.60 0.95 -0.50 -1.33 0.00 0.00 177.39 177.33 2jag h TRP 34 N -0.69 0.64 -0.78 -1.77 4.06 -1.40 -2.72 115.95 113.28 2jag h TRP 34 Ca -0.55 -0.06 0.09 0.00 2.06 0.00 0.00 58.89 60.42 2jag h TRP 34 Cb 1.64 -0.19 -0.07 0.00 -1.00 0.00 0.00 29.16 29.54 2jag h TRP 34 CO 0.00 0.59 0.44 -0.24 -3.56 0.00 0.00 178.44 175.67 2jag h VAL 35 N 0.59 0.92 0.00 1.49 3.04 -1.55 -1.70 116.25 119.04 2jag h VAL 35 Ca 0.13 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 2jag h VAL 35 Cb 0.31 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 29.69 2jag h VAL 35 CO 0.01 0.14 -0.07 0.78 -1.01 0.00 0.00 177.57 177.41 2jag h ASN 36 N 0.76 0.00 -0.34 3.17 2.35 -1.67 -1.51 115.58 118.34 2jag h ASN 36 Ca 0.37 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.97 2jag h ASN 36 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2jag h ASN 36 CO -0.23 0.01 -0.33 0.58 -1.65 0.00 0.00 177.43 175.81 2jag h VAL 37 N 0.00 1.29 -0.02 2.81 2.07 -1.06 -0.39 116.25 120.95 2jag h VAL 37 Ca 0.00 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 2jag h VAL 37 Cb 0.83 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2jag h VAL 37 CO 0.00 0.49 -0.01 0.00 0.02 0.00 0.00 177.57 178.07 2jag h ALA 38 N 0.74 0.03 -0.67 1.67 0.00 -1.26 -1.61 119.26 118.17 2jag h ALA 38 Ca 0.06 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2jag h ALA 38 Cb 0.91 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2jag h ALA 38 CO 0.08 -0.26 0.23 -0.07 0.00 0.00 0.00 179.25 179.23 2jag h LEU 39 N -0.33 0.96 -0.87 0.00 3.38 -1.31 -0.86 115.31 116.29 2jag h LEU 39 Ca 0.01 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 2jag h LEU 39 Cb 0.41 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2jag h LEU 39 CO 0.00 0.90 0.18 0.00 0.09 0.00 0.00 178.44 179.62 2jag h ALA 40 N 1.10 1.08 -0.57 1.53 0.00 -1.08 -0.01 119.26 121.31 2jag h ALA 40 Ca 0.22 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2jag h ALA 40 Cb 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2jag h ALA 40 CO -0.01 0.62 0.11 0.78 0.00 0.00 0.00 179.25 180.75 2jag h GLY 41 N 1.06 1.00 1.13 0.00 0.00 -0.90 -1.90 103.07 103.45 2jag h GLY 41 Ca 0.21 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 2jag h GLY 41 CO -0.00 0.61 0.16 -2.22 0.00 0.00 0.00 176.54 175.08 2jag h ILE 42 N 0.83 1.26 -0.17 2.60 2.04 -0.81 -2.95 117.51 120.30 2jag h ILE 42 Ca 0.17 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.10 2jag h ILE 42 Cb 0.39 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 2jag h ILE 42 CO 0.01 0.37 0.05 0.00 0.00 0.00 0.00 178.15 178.57 2jag h ALA 43 N 1.14 0.18 -0.56 1.87 0.00 -0.65 -1.28 119.26 119.96 2jag h ALA 43 Ca 0.21 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.23 2jag h ALA 43 Cb 0.37 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 2jag h ALA 43 CO 0.00 -0.39 0.19 0.82 0.00 0.00 0.00 179.25 179.87 2jag h ILE 44 N 0.12 0.78 -0.30 0.00 2.04 -1.22 0.77 117.51 119.70 2jag h ILE 44 Ca 0.08 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 2jag h ILE 44 Cb 0.06 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2jag h ILE 44 CO -0.09 0.07 0.08 -0.07 0.00 0.00 0.00 178.15 178.13 2jag h LEU 45 N 0.36 0.45 -0.68 1.44 3.38 -1.33 -0.27 115.31 118.65 2jag h LEU 45 Ca 0.28 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2jag h LEU 45 Cb 0.34 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 2jag h LEU 45 CO -0.29 0.56 0.44 0.58 0.09 0.00 0.00 178.44 179.81 2jag h VAL 46 N 0.32 1.12 -0.25 1.22 2.07 -0.69 -1.74 116.25 118.29 2jag h VAL 46 Ca 0.09 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.25 2jag h VAL 46 Cb 0.28 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 2jag h VAL 46 CO 0.00 0.16 -0.09 -0.26 0.02 0.00 0.00 177.57 177.39 2jag h PHE 47 N 0.87 0.58 -0.70 1.57 0.04 -0.64 0.03 116.94 118.68 2jag h PHE 47 Ca 0.26 -0.14 0.06 0.00 2.80 0.00 0.00 57.97 60.96 2jag h PHE 47 Cb -0.03 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 37.93 2jag h PHE 47 CO -0.04 0.75 0.40 0.28 -0.60 0.00 0.00 178.31 179.10 2jag h VAL 48 N 0.24 0.98 -0.08 -0.55 2.07 -0.90 -1.47 116.25 116.55 2jag h VAL 48 Ca 0.06 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 2jag h VAL 48 Cb 0.58 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2jag h VAL 48 CO 0.03 0.13 0.04 0.22 0.02 0.00 0.00 177.57 178.01 2jag h TYR 49 N 0.74 0.11 -0.06 1.57 3.20 -1.18 -2.65 116.97 118.70 2jag h TYR 49 Ca 0.31 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.19 2jag h TYR 49 Cb 0.18 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 2jag h TYR 49 CO -0.07 0.18 0.06 0.52 -1.64 0.00 0.00 178.16 177.22 2jag h MET 50 N 0.00 0.00 -0.21 1.82 2.86 -0.44 -0.83 114.93 118.13 2jag h MET 50 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2jag h MET 50 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 2jag h MET 50 CO -0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 2jag n GLY 51 N -1.35 0.41 0.26 8.32 0.00 -0.60 -4.41 105.19 107.82 2jag n GLY 51 Ca -0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 2jag n GLY 51 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jag h ARG 52 N 2.26 -0.05 -1.79 1.61 0.11 -1.10 -2.84 114.38 112.58 2jag h ARG 52 Ca 0.00 0.00 -0.66 0.00 0.10 0.00 0.00 59.98 59.42 2jag h ARG 52 Cb 0.50 0.01 -0.36 0.00 1.11 0.00 0.00 29.97 31.23 2jag h ARG 52 CO 0.00 -0.03 -0.03 0.25 0.10 0.00 0.00 179.97 180.26 2jag n THR 53 N -5.42 3.05 -3.56 0.08 -2.24 -1.26 -5.01 114.28 99.92 2jag n THR 53 Ca 0.06 -4.85 -0.37 0.00 -2.27 0.00 0.00 64.05 56.63 2jag n THR 53 Cb 0.33 -1.29 -0.08 0.00 -2.10 0.00 0.00 70.33 67.19 2jag n THR 53 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2jag s ILE 54 N -5.23 5.31 0.50 2.28 -1.09 -1.08 -5.07 121.20 116.83 2jag s ILE 54 Ca 0.49 0.42 -0.21 0.00 -2.23 0.00 0.00 60.65 59.12 2jag s ILE 54 Cb 0.39 -3.59 -0.07 0.00 -1.58 0.00 0.00 42.46 37.61 2jag s ILE 54 CO -0.26 0.34 1.15 0.00 -1.23 0.00 0.00 174.94 174.94 2jag s ARG 55 N 0.88 3.55 0.98 2.79 1.70 -1.26 -4.79 118.95 122.80 2jag s ARG 55 Ca 0.13 1.69 -0.11 0.00 -0.47 0.00 0.00 55.73 56.97 2jag s ARG 55 Cb -0.13 -2.20 0.18 0.00 -0.57 0.00 0.00 34.95 32.23 2jag s ARG 55 CO 0.04 -0.70 1.11 -1.25 -1.08 0.00 0.00 175.30 173.42 2jag s PRO 56 N -3.00 0.50 0.00 3.89 0.04 -1.26 -2.73 135.00 132.44 2jag s PRO 56 Ca 0.68 1.31 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2jag s PRO 56 Cb -0.26 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2jag s PRO 56 CO 0.31 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 174.85 2jag n GLY 57 N 0.29 0.29 0.23 0.56 0.00 -1.26 -4.60 105.19 100.70 2jag n GLY 57 Ca 0.09 -1.81 -0.05 0.00 0.00 0.00 0.00 46.02 44.25 2jag n GLY 57 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jag h ARG 58 N 0.00 -0.09 0.24 1.61 2.47 -1.86 -2.22 114.38 114.53 2jag h ARG 58 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2jag h ARG 58 Cb 0.00 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.30 2jag h ARG 58 CO 0.00 -0.06 -0.51 -1.35 0.56 0.00 0.00 179.97 178.61 2jag h PRO 59 N -0.10 -0.79 -1.00 0.04 0.11 -1.81 -1.66 132.00 126.79 2jag h PRO 59 Ca 0.20 0.05 0.19 0.00 0.11 0.00 0.00 66.00 66.56 2jag h PRO 59 Cb 0.40 0.18 -0.10 0.00 0.11 0.00 0.00 31.00 31.58 2jag h PRO 59 CO -0.47 -0.53 0.61 -0.09 -0.21 0.00 0.00 178.00 177.32 2jag h ARG 60 N -0.82 0.71 0.21 1.05 2.43 -1.37 -1.03 114.38 115.56 2jag h ARG 60 Ca -0.03 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2jag h ARG 60 Cb 0.78 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2jag h ARG 60 CO -0.21 0.47 -0.10 1.25 -1.51 0.00 0.00 179.97 179.88 2jag h LEU 61 N 0.73 -0.24 -1.79 3.80 5.85 -0.95 -1.48 115.31 121.23 2jag h LEU 61 Ca 0.58 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 59.23 2jag h LEU 61 Cb 0.94 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2jag h LEU 61 CO -0.37 0.00 0.28 0.40 -0.34 0.00 0.00 178.44 178.41 2jag h ILE 62 N -0.47 0.92 -0.66 4.05 2.04 -0.56 0.25 117.51 123.07 2jag h ILE 62 Ca -0.03 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.69 2jag h ILE 62 Cb 0.36 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2jag h ILE 62 CO 0.05 0.05 0.18 -0.25 0.00 0.00 0.00 178.15 178.17 2jag h TRP 63 N 0.25 1.07 -0.13 1.37 7.01 -0.77 -1.31 115.95 123.44 2jag h TRP 63 Ca 0.18 -0.11 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 2jag h TRP 63 Cb 0.40 -0.31 -0.00 0.00 -2.10 0.00 0.00 29.16 27.15 2jag h TRP 63 CO -0.00 0.87 -0.00 0.78 -2.79 0.00 0.00 178.44 177.30 2jag h GLY 64 N 1.06 0.25 1.46 2.65 0.00 0.48 -2.17 103.07 106.79 2jag h GLY 64 Ca 0.21 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.40 2jag h GLY 64 CO -0.00 0.17 0.27 0.00 0.00 0.00 0.00 176.54 176.98 2jag h ALA 65 N 0.75 1.90 -0.18 3.60 0.00 -1.00 -2.63 119.26 121.69 2jag h ALA 65 Ca 0.04 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 2jag h ALA 65 Cb 0.37 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2jag h ALA 65 CO 0.01 0.04 -0.73 1.15 0.00 0.00 0.00 179.25 179.71 2jag h THR 66 N 0.38 1.28 -0.05 0.00 2.02 -1.01 -3.20 112.91 112.32 2jag h THR 66 Ca 0.17 -1.92 -0.04 0.00 0.77 0.00 0.00 66.41 65.39 2jag h THR 66 Cb 0.20 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2jag h THR 66 CO -0.04 0.61 -0.14 -0.07 0.37 0.00 0.00 175.52 176.26 2jag h LEU 67 N 0.57 0.07 -1.59 2.58 3.38 -1.03 -2.73 115.31 116.56 2jag h LEU 67 Ca -0.04 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2jag h LEU 67 Cb 1.36 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 2jag h LEU 67 CO 0.15 0.21 -0.22 0.24 0.09 0.00 0.00 178.44 178.92 2jag h MET 68 N 0.07 0.00 0.50 1.13 2.86 -1.52 -3.13 114.93 114.85 2jag h MET 68 Ca 0.01 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2jag h MET 68 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2jag h MET 68 CO 0.02 0.22 -0.24 0.82 1.06 0.00 0.00 176.91 178.79 2jag h ILE 69 N 0.00 0.50 0.00 -1.22 2.04 -1.57 -1.07 117.51 116.19 2jag h ILE 69 Ca -0.00 -0.05 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 2jag h ILE 69 Cb 0.42 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2jag h ILE 69 CO 0.03 0.01 -0.32 1.55 0.00 0.00 0.00 178.15 179.42 2jag h PRO 70 N -0.71 0.00 -0.26 2.37 0.13 -1.72 -1.72 132.00 130.09 2jag h PRO 70 Ca -0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 2jag h PRO 70 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 2jag h PRO 70 CO 0.11 0.32 0.02 -0.07 -0.23 0.00 0.00 178.00 178.15 2jag h LEU 71 N 0.00 0.44 -0.42 1.56 3.38 -1.46 -0.60 115.31 118.21 2jag h LEU 71 Ca -0.00 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 2jag h LEU 71 Cb 0.77 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2jag h LEU 71 CO 0.04 0.62 0.07 0.58 0.09 0.00 0.00 178.44 179.84 2jag h VAL 72 N 0.25 1.24 -0.54 1.22 2.07 -1.10 -2.58 116.25 116.81 2jag h VAL 72 Ca 0.08 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.79 2jag h VAL 72 Cb 0.38 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 2jag h VAL 72 CO 0.01 0.30 0.25 -1.28 0.02 0.00 0.00 177.57 176.87 2jag h SER 73 N 0.55 0.33 -0.75 0.57 0.87 -1.14 -1.09 113.55 112.90 2jag h SER 73 Ca 0.13 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 2jag h SER 73 Cb 0.37 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.27 2jag h SER 73 CO 0.01 0.22 0.50 0.40 -0.53 0.00 0.00 176.83 177.42 2jag h ILE 74 N 0.48 1.19 -0.97 2.23 2.04 -0.98 -1.69 117.51 119.81 2jag h ILE 74 Ca 0.25 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.80 2jag h ILE 74 Cb 0.20 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.31 2jag h ILE 74 CO -0.20 0.18 0.63 0.28 0.00 0.00 0.00 178.15 179.05 2jag h SER 75 N 1.01 1.05 -0.20 1.72 0.02 -0.96 -1.40 113.55 114.78 2jag h SER 75 Ca 0.28 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 2jag h SER 75 Cb -0.11 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.19 2jag h SER 75 CO -0.06 0.71 0.08 -1.28 -1.14 0.00 0.00 176.83 175.13 2jag h SER 76 N 1.21 0.28 0.54 3.07 0.87 -0.38 -2.05 113.55 117.08 2jag h SER 76 Ca 0.39 -0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.73 2jag h SER 76 Cb 0.03 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2jag h SER 76 CO -0.13 0.38 -0.25 1.88 -0.53 0.00 0.00 176.83 178.17 2jag h TYR 77 N 0.16 0.00 -0.31 2.24 0.05 -1.02 -2.32 116.97 115.77 2jag h TYR 77 Ca 0.07 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.68 2jag h TYR 77 Cb 0.19 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 2jag h TYR 77 CO -0.01 0.25 -0.46 -0.07 -1.05 0.00 0.00 178.16 176.83 2jag h LEU 78 N 0.00 0.94 -0.79 3.88 3.38 -1.03 -0.81 115.31 120.88 2jag h LEU 78 Ca -0.00 -0.51 0.01 0.00 0.09 0.00 0.00 57.88 57.47 2jag h LEU 78 Cb 0.59 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 2jag h LEU 78 CO 0.03 1.27 0.52 1.23 0.09 0.00 0.00 178.44 181.58 2jag h GLY 79 N 0.65 1.12 0.67 0.83 0.00 -0.88 -0.61 103.07 104.85 2jag h GLY 79 Ca 0.03 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 2jag h GLY 79 CO 0.11 0.39 -0.13 1.41 0.00 0.00 0.00 176.54 178.32 2jag h LEU 80 N 1.05 0.29 -1.15 3.11 3.38 -1.32 -2.25 115.31 118.43 2jag h LEU 80 Ca 0.30 -0.51 0.01 0.00 0.09 0.00 0.00 57.88 57.76 2jag h LEU 80 Cb -0.10 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2jag h LEU 80 CO -0.07 0.74 0.56 -0.07 0.09 0.00 0.00 178.44 179.68 2jag h LEU 81 N -0.16 0.99 -0.36 1.67 3.38 -0.99 -2.00 115.31 117.84 2jag h LEU 81 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jag h LEU 81 Cb 0.67 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2jag h LEU 81 CO 0.03 0.72 0.00 0.77 0.09 0.00 0.00 178.44 180.05 2jag h SER 82 N 1.16 0.00 0.00 -0.43 4.64 -1.14 -3.44 113.55 114.34 2jag h SER 82 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2jag h SER 82 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2jag h SER 82 CO -0.07 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.50 2jag n GLY 83 N 0.79 1.46 0.30 -0.77 0.00 -0.75 -4.71 105.19 101.50 2jag n GLY 83 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 2jag n GLY 83 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jag h LEU 84 N 0.00 0.75 -3.66 0.99 5.85 -1.68 -3.10 115.31 114.46 2jag h LEU 84 Ca 0.00 0.02 -0.43 0.00 0.84 0.00 0.00 57.88 58.31 2jag h LEU 84 Cb 0.00 -0.14 -0.26 0.00 0.37 0.00 0.00 40.66 40.63 2jag h LEU 84 CO 0.00 0.48 -0.04 0.35 -0.34 0.00 0.00 178.44 178.89 2jag n THR 85 N -4.67 2.84 -4.58 1.05 -2.24 -0.94 -4.95 114.28 100.80 2jag n THR 85 Ca 0.11 -3.20 -0.23 0.00 -2.27 0.00 0.00 64.05 58.46 2jag n THR 85 Cb 0.17 -0.77 -0.14 0.00 -2.10 0.00 0.00 70.33 67.48 2jag n THR 85 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2jag s VAL 86 N -4.03 1.29 0.23 2.28 1.01 -1.17 -0.57 120.40 119.42 2jag s VAL 86 Ca 0.52 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 2jag s VAL 86 Cb 0.44 -1.12 -0.00 0.00 0.00 0.00 0.00 36.38 35.70 2jag s VAL 86 CO 0.01 0.19 0.45 -0.83 0.00 0.00 0.00 175.10 174.92 2jag s GLY 87 N -0.83 0.46 -0.22 4.51 0.00 -0.74 -4.98 107.32 105.52 2jag s GLY 87 Ca 0.05 -0.80 -0.11 0.00 0.00 0.00 0.00 44.72 43.86 2jag s GLY 87 CO 0.01 -0.62 0.17 1.06 0.00 0.00 0.00 173.10 173.71 2jag s MET 88 N -3.99 4.14 -0.09 2.90 -1.94 -1.26 0.02 119.30 119.07 2jag s MET 88 Ca 0.20 -0.19 0.04 0.00 -1.71 0.00 0.00 55.69 54.02 2jag s MET 88 Cb 0.00 -3.48 0.00 0.00 2.01 0.00 0.00 34.83 33.36 2jag s MET 88 CO 0.06 0.16 -0.21 0.42 -0.01 0.00 0.00 175.02 175.44 2jag s ILE 89 N 0.75 1.82 -0.12 2.53 -1.09 -0.29 -4.89 121.20 119.91 2jag s ILE 89 Ca 0.09 -0.88 -0.24 0.00 -2.23 0.00 0.00 60.65 57.39 2jag s ILE 89 Cb -0.13 -1.59 -0.03 0.00 -1.58 0.00 0.00 42.46 39.14 2jag s ILE 89 CO 0.02 0.51 0.76 -0.70 -1.23 0.00 0.00 174.94 174.30 2jag s GLU 90 N 0.44 4.36 0.27 2.79 2.12 -1.26 -0.63 118.70 126.78 2jag s GLU 90 Ca -0.18 0.93 -0.29 0.00 0.36 0.00 0.00 54.97 55.80 2jag s GLU 90 Cb -0.17 -3.52 -0.09 0.00 0.26 0.00 0.00 34.13 30.60 2jag s GLU 90 CO 0.07 -0.15 1.01 -1.64 -0.54 0.00 0.00 175.26 174.02 2jag s MET 91 N 1.53 4.70 0.79 4.30 -1.94 -0.57 -4.76 119.30 123.34 2jag s MET 91 Ca 0.37 1.61 -0.12 0.00 -1.71 0.00 0.00 55.69 55.84 2jag s MET 91 Cb -0.17 -3.15 0.06 0.00 2.01 0.00 0.00 34.83 33.58 2jag s MET 91 CO 0.15 0.33 1.12 -1.25 -0.01 0.00 0.00 175.02 175.36 2jag s PRO 92 N -1.45 2.16 0.31 2.03 0.04 -1.26 -1.22 135.00 135.62 2jag s PRO 92 Ca 0.44 0.43 -0.29 0.00 0.04 0.00 0.00 61.00 61.62 2jag s PRO 92 Cb -0.28 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.19 2jag s PRO 92 CO 0.35 -1.52 1.28 0.00 0.04 0.00 0.00 177.00 177.15 2jag n ALA 93 N -3.33 1.02 0.00 8.56 0.00 -1.26 -2.33 120.51 123.18 2jag n ALA 93 Ca 0.07 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2jag n ALA 93 Cb 0.58 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.80 2jag n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jag n GLY 94 N 1.18 2.66 3.77 0.00 0.00 -1.26 -4.36 105.19 107.17 2jag n GLY 94 Ca 0.07 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 2jag n GLY 94 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jag s HIS 95 N -2.06 2.73 0.61 1.61 5.04 -0.98 -4.89 115.29 117.34 2jag s HIS 95 Ca 0.00 1.51 0.30 0.00 -1.54 0.00 0.00 55.06 55.33 2jag s HIS 95 Cb 0.00 -3.45 1.65 0.00 0.04 0.00 0.00 32.58 30.82 2jag s HIS 95 CO 0.00 -1.80 2.03 0.00 -2.34 0.00 0.00 174.74 172.63 2jag h ALA 96 N 1.80 1.77 -0.12 1.58 0.00 -1.89 -0.02 119.26 122.38 2jag h ALA 96 Ca -0.50 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 2jag h ALA 96 Cb 1.26 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 2jag h ALA 96 CO 0.59 -0.40 -0.42 1.28 0.00 0.00 0.00 179.25 180.30 2jag n LEU 97 N -3.56 3.17 -4.58 0.00 4.77 -1.26 -5.06 117.00 110.47 2jag n LEU 97 Ca 0.02 -3.93 -0.51 0.00 -0.03 0.00 0.00 56.01 51.57 2jag n LEU 97 Cb 0.42 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 40.91 2jag n LEU 97 CO 0.24 1.42 0.82 0.00 -1.33 0.00 0.00 177.39 178.54 2jag n ALA 98 N -1.10 -0.93 -0.15 -1.18 0.00 -0.03 -1.32 120.51 115.80 2jag n ALA 98 Ca 0.24 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.17 2jag n ALA 98 Cb 0.78 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2jag n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jag n GLY 99 N 2.30 1.74 3.90 0.00 0.00 -0.35 -4.98 105.19 107.79 2jag n GLY 99 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 2jag n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jag s GLU 100 N -0.33 3.15 -0.19 1.61 2.02 -0.44 -4.88 118.70 119.64 2jag s GLU 100 Ca 0.00 -0.93 -0.12 0.00 0.02 0.00 0.00 54.97 53.94 2jag s GLU 100 Cb 0.00 -2.71 -0.05 0.00 0.10 0.00 0.00 34.13 31.47 2jag s GLU 100 CO 0.00 0.39 0.20 -1.64 0.02 0.00 0.00 175.26 174.23 2jag s MET 101 N -3.92 4.20 0.06 1.61 -1.94 -1.26 -1.52 119.30 116.53 2jag s MET 101 Ca 0.34 -0.10 0.10 0.00 -1.71 0.00 0.00 55.69 54.31 2jag s MET 101 Cb -0.08 -3.44 -0.03 0.00 2.01 0.00 0.00 34.83 33.28 2jag s MET 101 CO 0.27 0.23 -0.26 0.14 -0.01 0.00 0.00 175.02 175.39 2jag s VAL 102 N 0.53 2.15 -0.25 -6.03 -7.23 0.19 -4.87 120.40 104.89 2jag s VAL 102 Ca 0.11 -1.45 -0.29 0.00 -1.81 0.00 0.00 61.98 58.54 2jag s VAL 102 Cb -0.12 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 34.96 2jag s VAL 102 CO 0.01 0.31 1.40 -0.60 -0.31 0.00 0.00 175.10 175.92 2jag s ARG 103 N -1.38 3.93 -0.22 4.82 3.52 -1.26 -1.14 118.95 127.22 2jag s ARG 103 Ca 0.12 1.47 -0.05 0.00 -0.13 0.00 0.00 55.73 57.13 2jag s ARG 103 Cb -0.10 -3.91 -0.02 0.00 -1.56 0.00 0.00 34.95 29.35 2jag s ARG 103 CO 0.03 -1.11 0.01 0.45 -0.81 0.00 0.00 175.30 173.87 2jag s SER 104 N 3.14 4.79 -1.41 -2.12 0.15 0.10 -4.96 113.70 113.38 2jag s SER 104 Ca 0.61 -0.25 -0.08 0.00 0.70 0.00 0.00 55.95 56.93 2jag s SER 104 Cb -0.20 -1.84 0.06 0.00 -1.71 0.00 0.00 66.02 62.33 2jag s SER 104 CO 0.24 0.01 2.45 0.00 1.20 0.00 0.00 173.24 177.14 2jag n GLN 105 N 4.62 4.04 0.31 5.44 6.02 -1.26 -1.79 117.38 134.76 2jag n GLN 105 Ca -0.17 -3.05 0.21 0.00 -0.01 0.00 0.00 57.00 53.98 2jag n GLN 105 Cb 0.51 -2.78 1.09 0.00 1.02 0.00 0.00 30.24 30.08 2jag n GLN 105 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 2jag h TRP 106 N 5.02 0.00 -0.06 1.08 5.08 -1.91 -1.60 115.95 123.56 2jag h TRP 106 Ca 0.69 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.65 2jag h TRP 106 Cb 0.38 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.53 2jag h TRP 106 CO 1.62 0.00 -0.01 0.78 -1.28 0.00 0.00 178.44 179.54 2jag h GLY 107 N 0.22 0.09 0.92 11.11 0.00 -1.12 -2.16 103.07 112.13 2jag h GLY 107 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 2jag h GLY 107 CO 0.00 0.04 -0.21 3.21 0.00 0.00 0.00 176.54 179.58 2jag h ARG 108 N 0.09 -0.57 -0.85 4.80 3.08 -1.56 -0.55 114.38 118.81 2jag h ARG 108 Ca 0.02 0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.16 2jag h ARG 108 Cb 0.09 0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 2jag h ARG 108 CO 0.00 -0.33 0.54 1.88 -1.07 0.00 0.00 179.97 180.99 2jag h TYR 109 N -0.67 1.00 -0.62 3.04 0.05 -1.65 -0.37 116.97 117.74 2jag h TYR 109 Ca -0.06 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 2jag h TYR 109 Cb 0.50 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.88 2jag h TYR 109 CO -0.03 0.53 0.31 1.25 -1.05 0.00 0.00 178.16 179.17 2jag h LEU 110 N 1.00 0.81 -0.45 3.88 5.85 -1.31 -2.96 115.31 122.12 2jag h LEU 110 Ca 0.36 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 2jag h LEU 110 Cb 0.12 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2jag h LEU 110 CO -0.16 0.71 -0.31 0.71 -0.34 0.00 0.00 178.44 179.05 2jag h THR 111 N 0.86 0.60 0.00 1.05 1.35 -0.53 -2.92 112.91 113.31 2jag h THR 111 Ca 0.22 -1.58 -0.00 0.00 -0.55 0.00 0.00 66.41 64.49 2jag h THR 111 Cb 0.11 2.09 -0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2jag h THR 111 CO -0.03 0.30 -0.01 -0.50 -0.25 0.00 0.00 175.52 175.03 2jag h TRP 112 N 0.00 0.00 0.00 4.73 6.55 -0.91 0.34 115.95 126.66 2jag h TRP 112 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2jag h TRP 112 Cb 1.07 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.37 2jag h TRP 112 CO 0.00 0.01 0.00 0.00 -1.05 0.00 0.00 178.44 177.40 2jag n ALA 113 N -2.14 1.88 -0.04 1.49 0.00 -1.10 -0.90 120.51 119.71 2jag n ALA 113 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.38 2jag n ALA 113 Cb 0.13 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 2jag n ALA 113 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jag n LEU 114 N -1.95 0.08 0.06 0.00 7.94 -0.01 -4.53 117.00 118.59 2jag n LEU 114 Ca 0.04 -0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.78 2jag n LEU 114 Cb 0.27 0.18 -0.14 0.00 0.53 0.00 0.00 43.42 44.26 2jag n LEU 114 CO 0.21 0.21 -0.31 0.77 -1.11 0.00 0.00 177.39 177.16 2jag h SER 115 N 0.00 0.35 -0.20 1.96 4.64 -1.11 -3.22 113.55 115.97 2jag h SER 115 Ca -0.22 -0.48 -0.13 0.00 -0.47 0.00 0.00 61.79 60.49 2jag h SER 115 Cb 1.49 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.46 2jag h SER 115 CO 0.01 1.40 -0.31 0.71 -0.87 0.00 0.00 176.83 177.77 2jag h THR 116 N 0.06 1.28 -0.32 2.95 1.35 -1.27 -2.38 112.91 114.59 2jag h THR 116 Ca -0.23 -1.44 -0.05 0.00 -0.55 0.00 0.00 66.41 64.14 2jag h THR 116 Cb 2.00 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 69.76 2jag h THR 116 CO 0.16 0.47 -0.01 -0.65 -0.25 0.00 0.00 175.52 175.24 2jag h PRO 117 N 0.60 0.49 -0.07 4.72 0.11 -1.75 -1.80 132.00 134.29 2jag h PRO 117 Ca 0.07 -0.10 -0.15 0.00 0.11 0.00 0.00 66.00 65.92 2jag h PRO 117 Cb 0.82 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 2jag h PRO 117 CO 0.07 0.52 -0.64 0.52 -0.21 0.00 0.00 178.00 178.27 2jag h MET 118 N 0.47 0.27 -0.56 1.05 2.86 -1.52 -1.17 114.93 116.33 2jag h MET 118 Ca 0.10 -0.19 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 2jag h MET 118 Cb 0.32 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 2jag h MET 118 CO 0.01 0.82 0.11 0.82 1.06 0.00 0.00 176.91 179.73 2jag h ILE 119 N 0.19 1.25 -0.07 -1.22 2.04 -1.01 -2.10 117.51 116.59 2jag h ILE 119 Ca -0.01 -0.93 -0.10 0.00 1.00 0.00 0.00 64.86 64.82 2jag h ILE 119 Cb 1.16 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 2jag h ILE 119 CO 0.10 0.34 -0.43 -0.07 0.00 0.00 0.00 178.15 178.09 2jag h LEU 120 N 0.80 0.17 -0.29 1.44 3.38 -1.18 -2.37 115.31 117.26 2jag h LEU 120 Ca 0.17 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2jag h LEU 120 Cb 0.38 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2jag h LEU 120 CO 0.01 0.58 -0.13 0.25 0.09 0.00 0.00 178.44 179.23 2jag h LEU 121 N 0.14 0.62 -0.27 1.67 5.85 -1.00 0.13 115.31 122.45 2jag h LEU 121 Ca 0.01 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.37 2jag h LEU 121 Cb 0.81 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 2jag h LEU 121 CO 0.06 0.89 -0.00 0.00 -0.34 0.00 0.00 178.44 179.04 2jag h ALA 122 N 0.75 0.23 -0.63 1.25 0.00 -1.20 -0.21 119.26 119.46 2jag h ALA 122 Ca 0.07 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2jag h ALA 122 Cb 0.65 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2jag h ALA 122 CO 0.04 -0.42 0.04 -0.07 0.00 0.00 0.00 179.25 178.84 2jag h LEU 123 N 0.08 1.06 -1.03 0.00 3.38 -1.37 -2.16 115.31 115.28 2jag h LEU 123 Ca 0.13 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2jag h LEU 123 Cb 0.17 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2jag h LEU 123 CO -0.22 1.09 0.43 1.23 0.09 0.00 0.00 178.44 181.06 2jag h GLY 124 N 1.01 1.20 0.53 0.83 0.00 -0.05 -0.87 103.07 105.72 2jag h GLY 124 Ca 0.18 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2jag h GLY 124 CO 0.03 0.52 -0.04 1.41 0.00 0.00 0.00 176.54 178.46 2jag h LEU 125 N 1.12 0.08 -0.77 3.11 3.38 -0.95 0.38 115.31 121.66 2jag h LEU 125 Ca 0.28 -0.52 0.13 0.00 0.09 0.00 0.00 57.88 57.87 2jag h LEU 125 Cb 0.03 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.67 2jag h LEU 125 CO -0.04 0.58 0.35 0.25 0.09 0.00 0.00 178.44 179.67 2jag h LEU 126 N -0.42 0.39 -0.15 1.67 5.85 -1.23 0.53 115.31 121.95 2jag h LEU 126 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2jag h LEU 126 Cb 0.56 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2jag h LEU 126 CO 0.01 0.17 -0.16 0.00 -0.34 0.00 0.00 178.44 178.12 2jag n ALA 127 N -2.47 2.82 -3.78 1.25 0.00 -0.35 -4.80 120.51 113.19 2jag n ALA 127 Ca 0.14 -0.25 -0.25 0.00 0.00 0.00 0.00 53.44 53.08 2jag n ALA 127 Cb 0.39 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.54 2jag n ALA 127 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jag n ASP 128 N -1.16 -1.97 -4.88 0.00 2.03 0.18 -3.00 116.55 107.74 2jag n ASP 128 Ca 0.11 -0.94 -0.29 0.00 0.52 0.00 0.00 54.79 54.19 2jag n ASP 128 Cb 0.30 -3.54 0.09 0.00 -0.72 0.00 0.00 41.12 37.25 2jag n ASP 128 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2jag s VAL 129 N -3.73 2.29 0.48 5.18 -7.23 -0.73 -4.87 120.40 111.80 2jag s VAL 129 Ca 0.13 0.09 -0.23 0.00 -1.81 0.00 0.00 61.98 60.17 2jag s VAL 129 Cb -0.04 -3.05 -0.07 0.00 0.56 0.00 0.00 36.38 33.78 2jag s VAL 129 CO 0.85 -0.12 1.23 -1.81 -0.31 0.00 0.00 175.10 174.94 2jag s ASP 130 N -4.46 5.89 0.23 4.85 1.01 -1.26 -4.90 116.67 118.04 2jag s ASP 130 Ca 0.62 2.46 -0.07 0.00 0.71 0.00 0.00 52.55 56.27 2jag s ASP 130 Cb -0.12 -2.61 0.21 0.00 1.01 0.00 0.00 42.92 41.41 2jag s ASP 130 CO 0.50 -1.12 1.83 -0.07 0.21 0.00 0.00 175.17 176.53 2jag h LEU 131 N 1.89 1.11 -1.08 1.23 -0.00 -1.99 -1.45 115.31 115.01 2jag h LEU 131 Ca -0.50 -0.12 -0.09 0.00 -0.00 0.00 0.00 57.88 57.17 2jag h LEU 131 Cb 1.26 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.63 2jag h LEU 131 CO 0.59 0.92 -0.30 1.23 -0.00 0.00 0.00 178.44 180.88 2jag h GLY 132 N 1.23 0.29 0.69 0.83 0.00 -1.99 -1.95 103.07 102.17 2jag h GLY 132 Ca 0.30 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 2jag h GLY 132 CO -0.04 0.22 -0.29 0.23 0.00 0.00 0.00 176.54 176.66 2jag h SER 133 N 0.24 0.40 -0.93 0.19 0.87 -1.83 -2.30 113.55 110.19 2jag h SER 133 Ca 0.03 -0.62 0.04 0.00 -1.23 0.00 0.00 61.79 60.01 2jag h SER 133 Cb 0.66 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.45 2jag h SER 133 CO 0.05 0.95 0.60 0.25 -0.53 0.00 0.00 176.83 178.15 2jag h LEU 134 N -0.13 0.99 -0.52 2.23 5.85 -1.19 -1.40 115.31 121.14 2jag h LEU 134 Ca -0.01 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.59 2jag h LEU 134 Cb 0.92 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 2jag h LEU 134 CO 0.06 0.67 -0.11 0.15 -0.34 0.00 0.00 178.44 178.87 2jag h PHE 135 N 1.15 1.11 -0.62 1.25 -0.00 -1.34 -2.10 116.94 116.39 2jag h PHE 135 Ca 0.38 -0.23 -0.09 0.00 -0.00 0.00 0.00 57.97 58.02 2jag h PHE 135 Cb 0.04 -0.27 -0.02 0.00 -0.00 0.00 0.00 35.95 35.69 2jag h PHE 135 CO -0.01 1.04 0.02 1.15 -0.00 0.00 0.00 178.31 180.51 2jag h THR 136 N 0.86 1.27 -0.36 4.41 2.02 -0.96 -2.40 112.91 117.76 2jag h THR 136 Ca 0.13 -1.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.12 2jag h THR 136 Cb 0.68 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2jag h THR 136 CO 0.05 0.42 0.01 0.58 0.37 0.00 0.00 175.52 176.95 2jag h VAL 137 N 0.99 1.26 -0.50 3.16 2.07 -1.18 -1.79 116.25 120.26 2jag h VAL 137 Ca 0.18 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 2jag h VAL 137 Cb 0.54 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2jag h VAL 137 CO 0.03 0.32 0.13 0.40 0.02 0.00 0.00 177.57 178.46 2jag h ILE 138 N 0.44 1.21 -0.49 4.57 2.04 -1.34 0.39 117.51 124.33 2jag h ILE 138 Ca 0.10 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 2jag h ILE 138 Cb 0.44 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 2jag h ILE 138 CO 0.02 0.28 0.12 0.00 0.00 0.00 0.00 178.15 178.57 2jag h ALA 139 N 1.41 0.65 -0.41 1.87 0.00 -1.24 -0.60 119.26 120.93 2jag h ALA 139 Ca 0.16 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2jag h ALA 139 Cb 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2jag h ALA 139 CO -0.00 0.33 -0.13 0.00 0.00 0.00 0.00 179.25 179.45 2jag h ALA 140 N 0.99 0.99 -0.53 0.00 0.00 -0.85 -1.64 119.26 118.22 2jag h ALA 140 Ca 0.15 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2jag h ALA 140 Cb 0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2jag h ALA 140 CO 0.00 0.60 0.07 0.22 0.00 0.00 0.00 179.25 180.14 2jag h ASP 141 N 0.68 0.86 -0.68 0.00 3.58 -0.63 -0.58 116.42 119.65 2jag h ASP 141 Ca 0.11 -0.27 -0.05 0.00 0.42 0.00 0.00 57.03 57.24 2jag h ASP 141 Cb 0.61 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 2jag h ASP 141 CO 0.04 0.92 0.23 0.40 -2.88 0.00 0.00 179.24 177.95 2jag h ILE 142 N 0.78 1.25 -0.73 2.25 2.04 -0.88 -1.87 117.51 120.36 2jag h ILE 142 Ca 0.16 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 2jag h ILE 142 Cb 0.43 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2jag h ILE 142 CO 0.01 0.33 0.34 1.23 0.00 0.00 0.00 178.15 180.06 2jag h GLY 143 N 0.99 1.12 0.98 5.37 0.00 -1.00 -1.27 103.07 109.26 2jag h GLY 143 Ca 0.22 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2jag h GLY 143 CO -0.01 0.53 0.24 1.98 0.00 0.00 0.00 176.54 179.27 2jag h MET 144 N 1.04 0.57 -0.39 4.80 1.85 -0.60 -1.76 114.93 120.45 2jag h MET 144 Ca 0.25 -0.06 -0.09 0.00 -0.61 0.00 0.00 59.70 59.19 2jag h MET 144 Cb 0.13 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.03 2jag h MET 144 CO -0.03 0.45 -0.11 0.00 -0.40 0.00 0.00 176.91 176.82 2jag h VAL 146 N 0.56 1.39 0.00 0.00 -1.51 -1.19 -1.94 116.25 113.57 2jag h VAL 146 Ca 0.10 -1.99 -0.08 0.00 -1.23 0.00 0.00 66.70 63.50 2jag h VAL 146 Cb 0.63 2.01 -0.01 0.00 -2.13 0.00 0.00 31.29 31.79 2jag h VAL 146 CO 0.04 0.59 -0.39 0.71 -1.23 0.00 0.00 177.57 177.29 2jag h THR 147 N 0.17 0.76 -0.28 7.19 1.35 -1.33 -1.40 112.91 119.37 2jag h THR 147 Ca -0.01 -1.75 -0.16 0.00 -0.55 0.00 0.00 66.41 63.94 2jag h THR 147 Cb 1.11 2.14 -0.00 0.00 -1.73 0.00 0.00 68.15 69.66 2jag h THR 147 CO 0.09 0.38 -0.48 1.23 -0.25 0.00 0.00 175.52 176.49 2jag h GLY 148 N 2.85 0.83 1.00 5.82 0.00 -1.20 -1.26 103.07 111.10 2jag h GLY 148 Ca -0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 47.33 46.36 2jag h GLY 148 CO 0.05 0.82 0.12 -2.00 0.00 0.00 0.00 176.54 175.53 2jag h LEU 149 N 0.60 0.84 -0.94 3.11 5.85 -1.06 -2.53 115.31 121.17 2jag h LEU 149 Ca 0.03 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.52 2jag h LEU 149 Cb 1.05 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 2jag h LEU 149 CO 0.10 0.86 0.62 0.00 -0.34 0.00 0.00 178.44 179.68 2jag h ALA 150 N 1.01 1.20 -0.49 1.25 0.00 -1.05 -0.54 119.26 120.63 2jag h ALA 150 Ca 0.17 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2jag h ALA 150 Cb 0.35 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2jag h ALA 150 CO 0.00 0.60 0.32 0.00 0.00 0.00 0.00 179.25 180.17 2jag h ALA 151 N 1.34 0.62 -0.40 0.00 0.00 -0.94 -1.20 119.26 118.68 2jag h ALA 151 Ca 0.34 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 2jag h ALA 151 Cb -0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2jag h ALA 151 CO -0.07 0.05 -0.18 0.00 0.00 0.00 0.00 179.25 179.04 2jag h ALA 152 N 1.19 0.92 0.00 0.00 0.00 -1.01 -3.24 119.26 117.13 2jag h ALA 152 Ca 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jag h ALA 152 Cb -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2jag h ALA 152 CO -0.05 0.62 -0.28 0.52 0.00 0.00 0.00 179.25 180.06 2jag h MET 153 N 0.68 0.00 -6.38 0.00 2.86 -0.88 -3.46 114.93 107.75 2jag h MET 153 Ca 0.10 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.20 2jag h MET 153 Cb 0.68 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 2jag h MET 153 CO 0.05 0.00 0.75 0.99 1.06 0.00 0.00 176.91 179.76 2jag s THR 154 N -3.14 3.89 0.00 2.22 2.01 -0.48 -4.91 115.64 115.23 2jag s THR 154 Ca 0.08 1.28 0.00 0.00 0.31 0.00 0.00 61.69 63.36 2jag s THR 154 Cb 0.12 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.81 2jag s THR 154 CO 0.66 0.02 0.14 0.35 -0.69 0.00 0.00 174.62 175.09 2jag n THR 155 N 4.50 0.00 -0.10 -0.82 -2.24 -1.26 -4.81 114.28 109.55 2jag n THR 155 Ca 0.12 -0.47 -0.14 0.00 -2.27 0.00 0.00 64.05 61.29 2jag n THR 155 Cb 0.45 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.65 2jag n THR 155 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2jag h SER 156 N 0.00 0.87 -4.52 3.42 4.64 -1.92 -3.38 113.55 112.66 2jag h SER 156 Ca 0.00 -0.48 -0.09 0.00 -0.47 0.00 0.00 61.79 60.75 2jag h SER 156 Cb 0.01 -0.25 -0.21 0.00 -0.31 0.00 0.00 62.40 61.64 2jag h SER 156 CO 0.00 1.18 -0.06 0.00 -0.87 0.00 0.00 176.83 177.08 2jag s ALA 157 N -4.31 -1.31 0.34 5.18 0.00 -1.26 -4.85 121.76 115.54 2jag s ALA 157 Ca -0.12 1.14 0.02 0.00 0.00 0.00 0.00 51.96 53.01 2jag s ALA 157 Cb 0.10 -0.37 0.62 0.00 0.00 0.00 0.00 23.12 23.47 2jag s ALA 157 CO 0.86 -0.29 1.99 1.25 0.00 0.00 0.00 175.76 179.56 2jag h LEU 158 N 4.25 0.76 -0.64 0.00 5.85 -1.89 -2.70 115.31 120.95 2jag h LEU 158 Ca -0.28 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.54 2jag h LEU 158 Cb 1.16 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 2jag h LEU 158 CO 0.29 0.54 0.21 0.25 -0.34 0.00 0.00 178.44 179.39 2jag h LEU 159 N 0.89 0.16 -0.93 2.25 5.85 -1.96 -2.00 115.31 119.57 2jag h LEU 159 Ca 0.27 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.98 2jag h LEU 159 Cb -0.00 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2jag h LEU 159 CO -0.07 0.08 -0.52 -0.26 -0.34 0.00 0.00 178.44 177.33 2jag h PHE 160 N 0.36 0.05 -0.34 1.25 0.04 -1.91 -1.22 116.94 115.17 2jag h PHE 160 Ca 0.33 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 61.06 2jag h PHE 160 Cb 0.46 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 2jag h PHE 160 CO -0.20 0.55 0.11 0.00 -0.60 0.00 0.00 178.31 178.17 2jag h ARG 161 N 0.03 0.53 0.00 1.51 3.08 -1.33 -2.18 114.38 116.02 2jag h ARG 161 Ca -0.00 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 2jag h ARG 161 Cb 0.93 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 2jag h ARG 161 CO 0.07 0.56 -0.15 -1.49 -1.07 0.00 0.00 179.97 177.89 2jag h TRP 162 N 0.40 0.00 -0.30 3.04 4.06 -1.39 -2.68 115.95 119.08 2jag h TRP 162 Ca 0.11 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.95 2jag h TRP 162 Cb 0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.40 2jag h TRP 162 CO 0.01 0.15 -0.23 0.00 -3.56 0.00 0.00 178.44 174.81 2jag h ALA 163 N 1.85 0.44 -0.63 1.49 0.00 -1.00 -1.42 119.26 119.99 2jag h ALA 163 Ca -0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 2jag h ALA 163 Cb 1.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2jag h ALA 163 CO 0.02 0.40 0.16 0.74 0.00 0.00 0.00 179.25 180.57 2jag h PHE 164 N 0.44 1.05 -0.54 0.00 0.04 -1.35 -1.70 116.94 114.89 2jag h PHE 164 Ca 0.06 -0.12 0.05 0.00 2.80 0.00 0.00 57.97 60.76 2jag h PHE 164 Cb 0.78 -0.30 -0.05 0.00 2.20 0.00 0.00 35.95 38.58 2jag h PHE 164 CO 0.07 0.87 0.26 -0.92 -0.60 0.00 0.00 178.31 177.99 2jag h TYR 165 N 0.92 0.47 -0.67 -0.55 5.03 -1.34 0.10 116.97 120.94 2jag h TYR 165 Ca 0.20 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.48 2jag h TYR 165 Cb 0.35 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.47 2jag h TYR 165 CO 0.03 0.21 0.23 0.00 -1.32 0.00 0.00 178.16 177.31 2jag h ALA 166 N 1.30 0.87 -0.37 1.82 0.00 -0.98 -1.09 119.26 120.81 2jag h ALA 166 Ca 0.24 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2jag h ALA 166 Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jag h ALA 166 CO -0.18 0.52 -0.21 0.82 0.00 0.00 0.00 179.25 180.20 2jag h ILE 167 N 0.96 1.27 -0.88 0.00 1.08 -0.78 -2.18 117.51 116.97 2jag h ILE 167 Ca 0.22 -1.29 -0.02 0.00 -0.39 0.00 0.00 64.86 63.37 2jag h ILE 167 Cb 0.26 1.20 -0.04 0.00 -3.07 0.00 0.00 36.82 35.17 2jag h ILE 167 CO -0.01 0.43 0.45 -1.28 -0.69 0.00 0.00 178.15 177.05 2jag h SER 168 N 0.64 1.12 -0.81 1.72 0.87 -0.44 -1.69 113.55 114.96 2jag h SER 168 Ca 0.09 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2jag h SER 168 Cb 0.69 -0.29 -0.04 0.00 -0.44 0.00 0.00 62.40 62.33 2jag h SER 168 CO 0.05 0.92 0.50 0.00 -0.53 0.00 0.00 176.83 177.78 2jag h ALA 170 N 1.43 0.71 -0.69 0.00 0.00 -0.72 -1.48 119.26 118.50 2jag h ALA 170 Ca 0.30 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2jag h ALA 170 Cb -0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2jag h ALA 170 CO -0.06 0.26 0.21 0.74 0.00 0.00 0.00 179.25 180.40 2jag h PHE 171 N 0.74 1.10 -0.97 0.00 0.04 -0.98 -2.16 116.94 114.71 2jag h PHE 171 Ca 0.19 -0.11 0.06 0.00 2.80 0.00 0.00 57.97 60.91 2jag h PHE 171 Cb 0.10 -0.32 -0.06 0.00 2.20 0.00 0.00 35.95 37.86 2jag h PHE 171 CO -0.01 0.88 0.63 0.35 -0.60 0.00 0.00 178.31 179.56 2jag h PHE 172 N 1.02 1.15 -0.46 -0.55 3.57 -0.70 -1.06 116.94 119.92 2jag h PHE 172 Ca 0.22 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 2jag h PHE 172 Cb 0.30 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 2jag h PHE 172 CO 0.02 0.61 -0.00 0.28 -2.23 0.00 0.00 178.31 176.99 2jag h VAL 173 N 1.14 1.24 -0.33 1.41 2.07 -0.67 -1.19 116.25 119.92 2jag h VAL 173 Ca 0.41 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2jag h VAL 173 Cb 0.15 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2jag h VAL 173 CO -0.15 0.34 0.18 0.58 0.02 0.00 0.00 177.57 178.54 2jag h VAL 174 N 0.71 1.14 -0.23 2.57 2.07 -0.76 -0.54 116.25 121.20 2jag h VAL 174 Ca 0.14 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.28 2jag h VAL 174 Cb 0.44 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2jag h VAL 174 CO 0.02 0.15 0.14 0.58 0.02 0.00 0.00 177.57 178.48 2jag h VAL 175 N 0.41 1.04 -0.61 2.57 2.07 -1.01 -2.99 116.25 117.74 2jag h VAL 175 Ca 0.12 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 2jag h VAL 175 Cb 0.08 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2jag h VAL 175 CO -0.02 0.05 0.19 -0.07 0.02 0.00 0.00 177.57 177.75 2jag h LEU 176 N 0.29 0.85 -1.66 2.57 3.38 -1.00 -2.84 115.31 116.90 2jag h LEU 176 Ca 0.09 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.01 2jag h LEU 176 Cb -0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2jag h LEU 176 CO -0.03 0.80 0.38 0.77 0.09 0.00 0.00 178.44 180.45 2jag h SER 177 N 0.89 0.34 -0.30 -0.43 4.64 -0.94 -1.14 113.55 116.61 2jag h SER 177 Ca 0.20 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.38 2jag h SER 177 Cb 0.25 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2jag h SER 177 CO -0.01 0.21 -0.38 0.00 -0.87 0.00 0.00 176.83 175.79 2jag h ALA 178 N 1.71 0.45 0.00 5.18 0.00 -1.51 -2.24 119.26 122.85 2jag h ALA 178 Ca 0.26 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2jag h ALA 178 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2jag h ALA 178 CO -0.07 0.54 -0.19 -0.07 0.00 0.00 0.00 179.25 179.47 2jag h LEU 179 N 0.55 0.00 -0.22 0.00 3.38 -1.23 -1.82 115.31 115.97 2jag h LEU 179 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2jag h LEU 179 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2jag h LEU 179 CO 0.09 0.19 -0.56 1.33 0.09 0.00 0.00 178.44 179.58 2jag n VAL 180 N -4.29 0.00 0.00 1.22 0.24 -0.88 -4.11 118.33 110.51 2jag n VAL 180 Ca -0.02 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2jag n VAL 180 Cb 0.25 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 2jag n VAL 180 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2jag n THR 181 N -1.14 0.00 0.25 3.34 -2.24 -0.85 -4.84 114.28 108.80 2jag n THR 181 Ca 0.07 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.95 2jag n THR 181 Cb 0.35 -0.00 0.64 0.00 -2.10 0.00 0.00 70.33 69.22 2jag n THR 181 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2jag h ASP 182 N 0.00 0.00 0.38 3.42 2.03 -1.79 -2.59 116.42 117.88 2jag h ASP 182 Ca 0.00 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.14 2jag h ASP 182 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 2jag h ASP 182 CO 0.00 0.14 -0.65 -0.50 -1.03 0.00 0.00 179.24 177.20 2jag h TRP 183 N 0.00 0.32 -0.16 4.15 4.06 -1.63 -1.87 115.95 120.83 2jag h TRP 183 Ca -0.00 -0.13 -0.18 0.00 2.06 0.00 0.00 58.89 60.63 2jag h TRP 183 Cb 0.30 -0.05 -0.00 0.00 -1.00 0.00 0.00 29.16 28.41 2jag h TRP 183 CO 0.00 0.82 -0.65 0.00 -3.56 0.00 0.00 178.44 175.05 2jag h ALA 184 N 1.14 0.56 -0.25 1.49 0.00 -1.63 -2.20 119.26 118.37 2jag h ALA 184 Ca -0.01 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 2jag h ALA 184 Cb 1.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2jag h ALA 184 CO 0.10 0.71 -0.26 0.00 0.00 0.00 0.00 179.25 179.80 2jag h ALA 185 N 0.84 1.09 -0.26 0.00 0.00 -1.37 -2.15 119.26 117.40 2jag h ALA 185 Ca -0.01 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.37 2jag h ALA 185 Cb 1.23 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2jag h ALA 185 CO 0.12 0.56 -0.53 0.77 0.00 0.00 0.00 179.25 180.18 2jag h SER 186 N 0.43 0.85 -0.13 0.00 0.02 -1.24 -2.85 113.55 110.64 2jag h SER 186 Ca 0.06 -0.45 -0.07 0.00 -0.84 0.00 0.00 61.79 60.49 2jag h SER 186 Cb 0.68 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 2jag h SER 186 CO 0.05 1.22 -0.13 0.00 -1.14 0.00 0.00 176.83 176.82 2jag h ALA 187 N 0.80 1.24 -0.47 3.77 0.00 -1.18 -0.97 119.26 122.45 2jag h ALA 187 Ca 0.02 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 2jag h ALA 187 Cb 1.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2jag h ALA 187 CO 0.11 0.50 -0.10 1.03 0.00 0.00 0.00 179.25 180.79 2jag h SER 188 N 0.45 0.84 0.80 0.00 0.87 -1.29 0.35 113.55 115.57 2jag h SER 188 Ca 0.08 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2jag h SER 188 Cb 0.50 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2jag h SER 188 CO 0.03 0.96 -0.21 -1.54 -0.53 0.00 0.00 176.83 175.54 2jag n SER 189 N -4.16 0.22 -0.76 6.23 3.41 -1.03 -3.17 113.62 114.36 2jag n SER 189 Ca 0.02 0.19 0.11 0.00 -0.26 0.00 0.00 58.87 58.93 2jag n SER 189 Cb 0.37 -0.19 0.06 0.00 -0.26 0.00 0.00 64.21 64.19 2jag n SER 189 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jag n ALA 190 N -1.51 2.88 -1.25 7.33 0.00 -0.40 -4.97 120.51 122.59 2jag n ALA 190 Ca 0.06 -0.67 -0.07 0.00 0.00 0.00 0.00 53.44 52.77 2jag n ALA 190 Cb 0.34 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 2jag n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jag n GLY 191 N 1.35 0.84 0.17 0.00 0.00 -0.53 -4.87 105.19 102.14 2jag n GLY 191 Ca 0.12 -0.75 0.09 0.00 0.00 0.00 0.00 46.02 45.48 2jag n GLY 191 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jag n THR 192 N -2.89 1.91 0.01 2.61 -2.24 -0.00 -4.80 114.28 108.88 2jag n THR 192 Ca -0.07 -2.39 0.07 0.00 -2.27 0.00 0.00 64.05 59.39 2jag n THR 192 Cb 0.24 -0.23 0.47 0.00 -2.10 0.00 0.00 70.33 68.72 2jag n THR 192 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jag h ALA 193 N 0.16 1.84 0.20 6.98 0.00 -1.83 -1.40 119.26 125.22 2jag h ALA 193 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2jag h ALA 193 Cb 1.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2jag h ALA 193 CO 0.00 0.11 -0.10 1.05 0.00 0.00 0.00 179.25 180.32 2jag h GLU 194 N 0.45 -0.26 -0.25 0.00 4.11 -1.91 -1.25 114.58 115.47 2jag h GLU 194 Ca 0.17 0.02 -0.14 0.00 0.07 0.00 0.00 59.36 59.48 2jag h GLU 194 Cb 0.13 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2jag h GLU 194 CO -0.04 -0.02 -0.41 0.97 0.07 0.00 0.00 179.01 179.58 2jag h ILE 195 N -0.47 1.30 -0.36 -1.06 6.09 -1.91 -2.94 117.51 118.16 2jag h ILE 195 Ca -0.03 -1.58 -0.02 0.00 -1.37 0.00 0.00 64.86 61.87 2jag h ILE 195 Cb 0.36 1.55 -0.02 0.00 0.47 0.00 0.00 36.82 39.18 2jag h ILE 195 CO 0.05 0.50 0.15 0.15 -3.07 0.00 0.00 178.15 175.92 2jag h PHE 196 N 0.48 0.54 -0.72 2.19 3.57 -1.22 -1.30 116.94 120.48 2jag h PHE 196 Ca 0.04 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2jag h PHE 196 Cb 0.92 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.46 2jag h PHE 196 CO 0.04 0.48 0.42 -0.44 -2.23 0.00 0.00 178.31 176.58 2jag h ASP 197 N 0.43 0.87 0.07 0.41 3.32 -1.20 0.21 116.42 120.53 2jag h ASP 197 Ca 0.12 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2jag h ASP 197 Cb 0.17 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2jag h ASP 197 CO -0.01 0.68 -0.03 0.74 -1.72 0.00 0.00 179.24 178.89 2jag h THR 198 N 0.99 1.13 -0.26 0.35 2.02 -1.32 -2.89 112.91 112.93 2jag h THR 198 Ca 0.26 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 2jag h THR 198 Cb -0.02 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2jag h THR 198 CO -0.05 0.18 -0.04 -0.07 0.37 0.00 0.00 175.52 175.92 2jag h LEU 199 N -0.43 0.37 -0.51 2.58 3.38 -0.91 -2.73 115.31 117.05 2jag h LEU 199 Ca -0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2jag h LEU 199 Cb 0.37 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2jag h LEU 199 CO 0.02 0.46 0.29 -0.09 0.09 0.00 0.00 178.44 179.21 2jag h ARG 200 N 0.38 0.71 -0.28 1.13 2.43 -0.56 -0.42 114.38 117.78 2jag h ARG 200 Ca 0.08 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2jag h ARG 200 Cb 0.31 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 2jag h ARG 200 CO 0.01 0.53 0.17 0.28 -1.51 0.00 0.00 179.97 179.45 2jag h VAL 201 N 0.69 1.04 -0.49 0.20 2.07 -1.27 -1.14 116.25 117.34 2jag h VAL 201 Ca 0.18 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.61 2jag h VAL 201 Cb 0.02 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2jag h VAL 201 CO -0.03 0.06 0.29 -0.07 0.02 0.00 0.00 177.57 177.84 2jag h LEU 202 N 0.34 0.47 0.51 2.57 4.07 -1.30 -1.41 115.31 120.57 2jag h LEU 202 Ca 0.11 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 2jag h LEU 202 Cb -0.02 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 41.64 2jag h LEU 202 CO -0.04 0.33 -0.25 0.58 -1.08 0.00 0.00 178.44 177.99 2jag h VAL 203 N 0.58 0.49 -0.05 1.22 2.07 -0.77 -0.64 116.25 119.15 2jag h VAL 203 Ca 0.20 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.62 2jag h VAL 203 Cb 0.02 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2jag h VAL 203 CO -0.09 0.02 -0.01 0.58 0.02 0.00 0.00 177.57 178.08 2jag h VAL 204 N -0.75 0.95 0.03 2.57 2.07 -1.12 0.18 116.25 120.18 2jag h VAL 204 Ca -0.07 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2jag h VAL 204 Cb 0.56 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2jag h VAL 204 CO 0.12 0.00 -0.01 0.58 0.02 0.00 0.00 177.57 178.27 2jag h VAL 205 N 0.00 1.05 -0.10 2.57 2.07 -1.29 -2.27 116.25 118.28 2jag h VAL 205 Ca 0.02 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 2jag h VAL 205 Cb 0.03 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2jag h VAL 205 CO -0.05 0.06 -0.32 -0.07 0.02 0.00 0.00 177.57 177.21 2jag h LEU 206 N -0.14 0.20 -0.66 2.57 3.38 -1.04 -2.98 115.31 116.64 2jag h LEU 206 Ca -0.00 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 2jag h LEU 206 Cb 0.13 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2jag h LEU 206 CO 0.01 0.51 -0.36 -0.50 0.09 0.00 0.00 178.44 178.19 2jag h TRP 207 N 0.17 0.00 0.00 1.13 4.06 -0.51 -1.97 115.95 118.83 2jag h TRP 207 Ca 0.02 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.96 2jag h TRP 207 Cb 0.66 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.81 2jag h TRP 207 CO 0.01 0.36 -0.06 -0.07 -3.56 0.00 0.00 178.44 175.11 2jag h LEU 208 N 0.00 0.00 -1.03 -4.49 3.38 -1.25 -2.90 115.31 109.03 2jag h LEU 208 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2jag h LEU 208 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2jag h LEU 208 CO 0.05 0.06 -0.18 1.23 0.09 0.00 0.00 178.44 179.69 2jag h GLY 209 N 1.93 0.52 0.86 0.83 0.00 -1.35 -3.21 103.07 102.65 2jag h GLY 209 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2jag h GLY 209 CO 0.01 0.36 0.04 -0.97 0.00 0.00 0.00 176.54 175.98 2jag h TYR 210 N 0.44 0.17 0.00 5.60 -1.99 -1.63 -1.88 116.97 117.68 2jag h TYR 210 Ca 0.07 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.76 2jag h TYR 210 Cb 0.57 -0.05 -0.00 0.00 2.00 0.00 0.00 36.73 39.25 2jag h TYR 210 CO 0.02 0.28 -0.13 -1.00 -0.00 0.00 0.00 178.16 177.32 2jag h PRO 211 N 0.02 0.00 -0.21 4.88 0.13 -1.72 -2.02 132.00 133.08 2jag h PRO 211 Ca 0.04 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.97 2jag h PRO 211 Cb 0.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.32 2jag h PRO 211 CO -0.00 0.13 -0.63 0.82 -0.23 0.00 0.00 178.00 178.09 2jag h ILE 212 N 0.00 1.28 -0.56 -3.56 2.04 -1.50 -1.68 117.51 113.54 2jag h ILE 212 Ca -0.00 -1.83 -0.07 0.00 1.00 0.00 0.00 64.86 63.96 2jag h ILE 212 Cb 0.45 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 2jag h ILE 212 CO 0.02 0.59 0.07 0.58 0.00 0.00 0.00 178.15 179.40 2jag h VAL 213 N 0.55 1.26 -0.16 1.67 2.07 -1.00 0.47 116.25 121.11 2jag h VAL 213 Ca -0.02 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 2jag h VAL 213 Cb 1.25 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2jag h VAL 213 CO 0.14 0.36 0.09 -0.25 0.02 0.00 0.00 177.57 177.93 2jag h TRP 214 N 0.83 0.21 -0.40 1.57 7.01 -1.35 0.39 115.95 124.22 2jag h TRP 214 Ca 0.17 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.13 2jag h TRP 214 Cb 0.44 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.42 2jag h TRP 214 CO 0.03 0.21 0.13 0.00 -2.79 0.00 0.00 178.44 176.02 2jag h ALA 215 N 0.99 0.52 0.00 2.65 0.00 -1.14 -2.12 119.26 120.17 2jag h ALA 215 Ca 0.06 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2jag h ALA 215 Cb 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2jag h ALA 215 CO -0.01 0.16 -0.86 0.28 0.00 0.00 0.00 179.25 178.82 2jag h VAL 216 N 0.50 1.53 -3.12 0.00 2.07 -0.82 0.41 116.25 116.83 2jag h VAL 216 Ca 0.13 -3.05 -0.33 0.00 0.82 0.00 0.00 66.70 64.27 2jag h VAL 216 Cb 0.25 2.69 0.15 0.00 -1.52 0.00 0.00 31.29 32.86 2jag h VAL 216 CO -0.01 0.85 0.15 0.61 0.02 0.00 0.00 177.57 179.19 2jag n GLY 217 N 1.19 -2.41 0.32 2.17 0.00 0.14 -0.91 105.19 105.69 2jag n GLY 217 Ca 0.00 -1.54 0.19 0.00 0.00 0.00 0.00 46.02 44.68 2jag n GLY 217 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2jag h VAL 218 N -2.29 0.00 0.00 1.61 3.04 -1.77 0.19 116.25 117.03 2jag h VAL 218 Ca -0.34 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.33 2jag h VAL 218 Cb 1.00 0.82 -0.00 0.00 -2.01 0.00 0.00 31.29 31.10 2jag h VAL 218 CO 0.22 0.00 -1.59 -0.62 -1.01 0.00 0.00 177.57 174.57 2jag n GLU 219 N -2.93 0.64 0.00 4.17 1.02 -1.26 -4.48 120.64 117.79 2jag n GLU 219 Ca -0.02 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2jag n GLU 219 Cb 0.19 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 2jag n GLU 219 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jag n GLY 220 N 1.26 0.59 0.20 0.62 0.00 -0.80 -4.90 105.19 102.16 2jag n GLY 220 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 2jag n GLY 220 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jag h LEU 221 N 0.00 0.00 -1.00 0.99 3.38 -0.20 -3.46 115.31 115.01 2jag h LEU 221 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2jag h LEU 221 Cb 0.00 0.00 0.13 0.00 0.09 0.00 0.00 40.66 40.88 2jag h LEU 221 CO 0.00 0.01 -0.62 0.00 0.09 0.00 0.00 178.44 177.92 2jag n ALA 222 N -2.11 -1.26 0.22 1.53 0.00 0.63 -4.63 120.51 114.87 2jag n ALA 222 Ca 0.03 0.29 0.07 0.00 0.00 0.00 0.00 53.44 53.84 2jag n ALA 222 Cb 0.54 -4.51 0.49 0.00 0.00 0.00 0.00 19.45 15.97 2jag n ALA 222 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jag h LEU 223 N -2.29 0.00 -7.95 0.00 3.38 -1.21 -3.35 115.31 103.90 2jag h LEU 223 Ca -0.51 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 56.80 2jag h LEU 223 Cb 1.32 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.71 2jag h LEU 223 CO 0.49 0.27 -0.83 -0.69 0.09 0.00 0.00 178.44 177.76 2jag s VAL 224 N -4.09 2.06 -1.23 1.22 1.01 -0.96 -5.01 120.40 113.40 2jag s VAL 224 Ca -0.02 -1.24 0.26 0.00 0.00 0.00 0.00 61.98 60.98 2jag s VAL 224 Cb 0.13 -2.02 0.11 0.00 0.00 0.00 0.00 36.38 34.61 2jag s VAL 224 CO 0.66 0.26 1.51 0.00 0.00 0.00 0.00 175.10 177.54 2jag n GLN 225 N 4.55 0.25 -2.38 2.72 6.02 -1.26 -2.60 117.38 124.68 2jag n GLN 225 Ca -0.17 -0.14 -0.43 0.00 -0.01 0.00 0.00 57.00 56.25 2jag n GLN 225 Cb 0.46 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.20 2jag n GLN 225 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2jag s SER 226 N -2.84 6.94 0.21 1.08 0.15 -1.26 -4.79 113.70 113.19 2jag s SER 226 Ca 0.16 1.80 0.01 0.00 0.70 0.00 0.00 55.95 58.62 2jag s SER 226 Cb 0.18 -2.54 0.18 0.00 -1.71 0.00 0.00 66.02 62.12 2jag s SER 226 CO 0.63 -0.73 1.52 1.62 1.20 0.00 0.00 173.24 177.48 2jag h VAL 227 N 5.33 1.37 -0.59 4.45 3.04 -1.96 -1.79 116.25 126.10 2jag h VAL 227 Ca -0.30 -1.97 -0.06 0.00 -1.01 0.00 0.00 66.70 63.36 2jag h VAL 227 Cb 1.13 1.97 -0.02 0.00 -2.01 0.00 0.00 31.29 32.36 2jag h VAL 227 CO 0.94 0.59 0.14 1.23 -1.01 0.00 0.00 177.57 179.47 2jag h GLY 228 N 1.33 1.02 0.96 3.17 0.00 -1.92 -0.56 103.07 107.08 2jag h GLY 228 Ca -0.01 -0.64 -0.08 0.00 0.00 0.00 0.00 47.33 46.60 2jag h GLY 228 CO 0.10 0.60 -0.09 0.00 0.00 0.00 0.00 176.54 177.14 2jag h ALA 229 N 1.03 0.52 -0.80 3.60 0.00 -1.89 -1.65 119.26 120.08 2jag h ALA 229 Ca 0.19 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2jag h ALA 229 Cb 0.35 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2jag h ALA 229 CO 0.00 0.39 0.53 1.15 0.00 0.00 0.00 179.25 181.31 2jag h THR 230 N 0.54 1.19 -0.53 0.00 2.02 -1.15 -1.82 112.91 113.15 2jag h THR 230 Ca 0.10 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 2jag h THR 230 Cb 0.61 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2jag h THR 230 CO 0.04 0.19 0.15 -1.28 0.37 0.00 0.00 175.52 174.99 2jag h SER 231 N 1.07 0.80 -0.10 4.18 0.87 -0.89 -2.69 113.55 116.78 2jag h SER 231 Ca 0.30 -0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2jag h SER 231 Cb -0.10 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.63 2jag h SER 231 CO -0.07 0.81 -0.04 -0.50 -0.53 0.00 0.00 176.83 176.50 2jag h TRP 232 N 0.75 0.34 -0.16 2.24 4.06 -0.89 -1.56 115.95 120.71 2jag h TRP 232 Ca 0.17 -0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.09 2jag h TRP 232 Cb 0.31 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.36 2jag h TRP 232 CO 0.02 0.38 0.07 0.00 -3.56 0.00 0.00 178.44 175.35 2jag h ALA 233 N 1.65 0.21 -0.75 1.49 0.00 -1.02 -1.35 119.26 119.49 2jag h ALA 233 Ca 0.07 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2jag h ALA 233 Cb 0.28 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2jag h ALA 233 CO 0.01 -0.21 0.23 1.88 0.00 0.00 0.00 179.25 181.16 2jag h TYR 234 N 0.12 1.21 -0.87 0.00 0.05 -1.30 -2.42 116.97 113.77 2jag h TYR 234 Ca 0.06 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 2jag h TYR 234 Cb 0.14 -0.35 -0.04 0.00 1.01 0.00 0.00 36.73 37.49 2jag h TYR 234 CO -0.02 0.95 0.46 0.77 -1.05 0.00 0.00 178.16 179.26 2jag h SER 235 N 1.11 1.11 -0.42 3.88 0.02 -1.08 -0.82 113.55 117.35 2jag h SER 235 Ca 0.24 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 2jag h SER 235 Cb 0.31 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2jag h SER 235 CO -0.01 0.90 -0.03 0.58 -1.14 0.00 0.00 176.83 177.14 2jag h VAL 236 N 1.22 1.27 -0.43 2.27 2.07 -1.10 -2.40 116.25 119.14 2jag h VAL 236 Ca 0.30 -1.08 0.02 0.00 0.82 0.00 0.00 66.70 66.76 2jag h VAL 236 Cb 0.06 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2jag h VAL 236 CO -0.04 0.37 0.26 -0.07 0.02 0.00 0.00 177.57 178.10 2jag h LEU 237 N 0.59 0.43 -0.97 2.57 3.38 -1.08 -2.35 115.31 117.88 2jag h LEU 237 Ca 0.12 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.18 2jag h LEU 237 Cb 0.53 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 2jag h LEU 237 CO 0.03 0.31 0.61 0.44 0.09 0.00 0.00 178.44 179.92 2jag h ASP 238 N 0.53 0.93 -0.77 -0.43 3.32 -1.02 0.33 116.42 119.31 2jag h ASP 238 Ca 0.17 0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.34 2jag h ASP 238 Cb -0.00 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.32 2jag h ASP 238 CO -0.07 0.55 0.43 0.58 -1.72 0.00 0.00 179.24 179.01 2jag h VAL 239 N 1.04 0.92 0.09 -1.35 2.07 -0.90 -0.22 116.25 117.90 2jag h VAL 239 Ca 0.45 -0.26 -0.25 0.00 0.82 0.00 0.00 66.70 67.47 2jag h VAL 239 Cb 0.33 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2jag h VAL 239 CO -0.22 0.14 -1.27 -0.26 0.02 0.00 0.00 177.57 175.97 2jag h PHE 240 N 0.75 0.36 0.00 1.57 0.04 -1.27 -1.12 116.94 117.26 2jag h PHE 240 Ca 0.37 -0.26 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 2jag h PHE 240 Cb 0.31 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 2jag h PHE 240 CO -0.07 1.50 -0.09 0.00 -0.60 0.00 0.00 178.31 179.05 2jag h ALA 241 N -0.09 1.07 0.00 2.45 0.00 -0.35 -1.90 119.26 120.44 2jag h ALA 241 Ca -0.28 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2jag h ALA 241 Cb 1.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2jag h ALA 241 CO 0.02 0.11 -0.11 1.63 0.00 0.00 0.00 179.25 180.91 2jag n LYS 242 N -3.30 0.06 0.09 0.00 5.02 -0.10 -4.59 118.16 115.34 2jag n LYS 242 Ca -0.01 0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.18 2jag n LYS 242 Cb 0.30 -0.37 -0.08 0.00 -0.02 0.00 0.00 35.03 34.85 2jag n LYS 242 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2jag h TYR 243 N -0.11 -0.21 -0.47 2.13 0.05 -1.50 0.33 116.97 117.20 2jag h TYR 243 Ca 0.00 -0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.64 2jag h TYR 243 Cb 0.11 0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 2jag h TYR 243 CO -0.05 0.07 -0.22 0.28 -1.05 0.00 0.00 178.16 177.20 2jag h VAL 244 N -0.48 1.27 -0.20 -2.88 2.07 -1.30 -1.87 116.25 112.86 2jag h VAL 244 Ca -0.02 -1.38 0.01 0.00 0.82 0.00 0.00 66.70 66.13 2jag h VAL 244 Cb 0.37 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2jag h VAL 244 CO 0.04 0.47 0.09 0.15 0.02 0.00 0.00 177.57 178.35 2jag h PHE 245 N 0.84 0.17 -0.71 1.57 3.04 -1.36 -1.67 116.94 118.82 2jag h PHE 245 Ca 0.11 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.06 2jag h PHE 245 Cb 0.79 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 39.22 2jag h PHE 245 CO 0.05 0.10 0.43 0.00 -2.02 0.00 0.00 178.31 176.87 2jag h ALA 246 N 1.11 0.90 -0.17 2.41 0.00 -0.83 -1.93 119.26 120.75 2jag h ALA 246 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jag h ALA 246 Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2jag h ALA 246 CO -0.06 0.37 0.11 0.35 0.00 0.00 0.00 179.25 180.02 2jag h PHE 247 N 0.97 0.22 -0.57 0.00 3.57 -1.07 0.76 116.94 120.81 2jag h PHE 247 Ca 0.25 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2jag h PHE 247 Cb -0.03 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 2jag h PHE 247 CO -0.01 0.17 0.37 0.82 -2.23 0.00 0.00 178.31 177.43 2jag h ILE 248 N 0.21 1.15 0.08 1.41 2.04 -1.14 0.11 117.51 121.38 2jag h ILE 248 Ca 0.06 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 2jag h ILE 248 Cb 0.01 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2jag h ILE 248 CO -0.01 0.15 -0.04 0.25 0.00 0.00 0.00 178.15 178.49 2jag h LEU 249 N 0.77 -0.09 -0.73 1.44 5.85 -1.15 -2.62 115.31 118.78 2jag h LEU 249 Ca 0.21 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jag h LEU 249 Cb -0.08 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 2jag h LEU 249 CO -0.04 0.16 0.46 0.25 -0.34 0.00 0.00 178.44 178.93 2jag h LEU 250 N -0.35 0.86 -0.99 2.25 5.85 -0.70 -1.95 115.31 120.27 2jag h LEU 250 Ca -0.01 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2jag h LEU 250 Cb 0.30 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2jag h LEU 250 CO 0.02 0.65 0.48 -0.09 -0.34 0.00 0.00 178.44 179.16 2jag h ARG 251 N 0.99 1.18 -0.09 1.25 2.43 -0.78 -0.49 114.38 118.88 2jag h ARG 251 Ca 0.26 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2jag h ARG 251 Cb -0.07 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.24 2jag h ARG 251 CO -0.05 0.85 -0.01 2.35 -1.51 0.00 0.00 179.97 181.60 2jag h TRP 252 N 1.19 0.19 -0.69 2.20 7.01 -1.15 -2.79 115.95 121.91 2jag h TRP 252 Ca 0.30 -0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.30 2jag h TRP 252 Cb 0.01 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 26.97 2jag h TRP 252 CO 0.01 0.45 0.42 0.28 -2.79 0.00 0.00 178.44 176.81 2jag h VAL 253 N -0.13 1.06 0.00 2.65 2.07 -1.06 -0.34 116.25 120.50 2jag h VAL 253 Ca 0.03 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2jag h VAL 253 Cb 0.38 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2jag h VAL 253 CO 0.01 0.15 -0.07 0.00 0.02 0.00 0.00 177.57 177.67 2jag h ALA 254 N 1.31 1.53 -0.26 1.67 0.00 -1.05 -1.67 119.26 120.79 2jag h ALA 254 Ca 0.29 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2jag h ALA 254 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2jag h ALA 254 CO -0.13 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.31 2jag n ASN 255 N -3.94 3.13 -1.88 0.00 3.02 -0.56 -4.46 115.26 110.57 2jag n ASN 255 Ca -0.02 -1.93 0.02 0.00 -0.03 0.00 0.00 54.58 52.62 2jag n ASN 255 Cb 0.16 -0.16 0.03 0.00 -0.61 0.00 0.00 39.78 39.20 2jag n ASN 255 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jag n ASN 256 N 1.28 0.94 0.15 6.41 3.02 -0.25 -4.89 115.26 121.93 2jag n ASN 256 Ca 0.16 -2.01 0.19 0.00 -0.03 0.00 0.00 54.58 52.88 2jag n ASN 256 Cb 0.55 -0.28 0.79 0.00 -0.61 0.00 0.00 39.78 40.23 2jag n ASN 256 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2jag h GLU 257 N 1.39 0.00 0.42 3.52 5.08 -1.55 -2.19 114.58 121.24 2jag h GLU 257 Ca -0.24 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 2jag h GLU 257 Cb 1.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.92 2jag h GLU 257 CO 0.09 0.00 -0.20 0.00 -1.00 0.00 0.00 179.01 177.89 2jag h ARG 258 N 0.00 -0.54 0.00 2.33 3.08 -1.90 -0.23 114.38 117.12 2jag h ARG 258 Ca 0.14 0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.11 2jag h ARG 258 Cb 0.81 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 2jag h ARG 258 CO -0.00 -0.31 -0.54 1.79 -1.07 0.00 0.00 179.97 179.83 2jag h THR 259 N -0.66 1.19 0.01 2.04 1.35 -1.81 -2.75 112.91 112.28 2jag h THR 259 Ca -0.06 -2.00 -0.00 0.00 -0.55 0.00 0.00 66.41 63.80 2jag h THR 259 Cb 0.48 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 2jag h THR 259 CO 0.09 0.53 -0.00 0.58 -0.25 0.00 0.00 175.52 176.47 2jag h VAL 260 N 0.00 1.55 -0.71 6.82 2.07 -1.43 -3.34 116.25 121.20 2jag h VAL 260 Ca -0.01 -1.71 -0.06 0.00 0.82 0.00 0.00 66.70 65.75 2jag h VAL 260 Cb 1.10 2.70 -0.03 0.00 -1.52 0.00 0.00 31.29 33.53 2jag h VAL 260 CO 0.07 0.44 0.22 0.00 0.02 0.00 0.00 177.57 178.32 2jag h ALA 261 N 0.22 0.94 0.00 1.67 0.00 -1.12 -2.81 119.26 118.17 2jag h ALA 261 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2jag h ALA 261 Cb 0.73 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2jag h ALA 261 CO 0.00 0.62 0.00 1.33 0.00 0.00 0.00 179.25 181.20 2jag n VAL 262 N -4.28 0.00 1.12 0.00 0.24 -1.04 -4.75 118.33 109.62 2jag n VAL 262 Ca 0.05 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.48 2jag n VAL 262 Cb 0.23 -0.51 0.21 0.00 -1.47 0.00 0.00 33.84 32.29 2jag n VAL 262 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69