#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jaf n VAL 23 N 0.00 4.21 -3.38 0.00 3.14 -1.26 -4.90 118.33 116.15 2jaf n VAL 23 Ca 0.00 -0.50 -0.13 0.00 -2.96 0.00 0.00 64.34 60.75 2jaf n VAL 23 Cb 0.00 -1.29 -0.09 0.00 -1.06 0.00 0.00 33.84 31.40 2jaf n VAL 23 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 2jaf s ARG 24 N -3.01 0.32 -0.64 1.45 3.52 -1.26 -5.05 118.95 114.29 2jaf s ARG 24 Ca 0.79 0.26 0.06 0.00 -0.13 0.00 0.00 55.73 56.70 2jaf s ARG 24 Cb -0.40 -0.64 0.23 0.00 -1.56 0.00 0.00 34.95 32.58 2jaf s ARG 24 CO 0.44 -0.79 0.69 0.39 -0.81 0.00 0.00 175.30 175.22 2jaf n GLU 25 N 5.34 2.31 -3.29 5.12 1.02 -1.26 -4.95 120.64 124.93 2jaf n GLU 25 Ca -0.03 -4.57 -0.08 0.00 -0.02 0.00 0.00 57.16 52.46 2jaf n GLU 25 Cb 0.49 -2.22 -0.05 0.00 -0.02 0.00 0.00 31.44 29.64 2jaf n GLU 25 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2jaf s ASN 26 N -2.22 0.13 0.29 1.62 3.84 -1.26 -5.04 114.94 112.31 2jaf s ASN 26 Ca 0.37 -0.49 -0.02 0.00 0.21 0.00 0.00 52.86 52.93 2jaf s ASN 26 Cb 0.11 1.20 0.44 0.00 -0.55 0.00 0.00 41.25 42.46 2jaf s ASN 26 CO -0.05 -0.33 1.95 0.00 -2.79 0.00 0.00 177.10 175.89 2jaf h ALA 27 N 7.94 1.42 -0.09 1.71 0.00 -1.98 0.70 119.26 128.96 2jaf h ALA 27 Ca -0.05 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2jaf h ALA 27 Cb 1.12 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2jaf h ALA 27 CO 0.23 0.52 0.01 1.25 0.00 0.00 0.00 179.25 181.26 2jaf h LEU 28 N 1.13 -0.02 0.09 0.00 5.85 -1.96 -0.07 115.31 120.34 2jaf h LEU 28 Ca 0.33 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 2jaf h LEU 28 Cb -0.05 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2jaf h LEU 28 CO -0.09 0.01 -0.04 0.25 -0.34 0.00 0.00 178.44 178.23 2jaf h LEU 29 N 0.04 -0.10 -0.48 2.25 5.85 -1.68 -3.05 115.31 118.14 2jaf h LEU 29 Ca 0.04 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.61 2jaf h LEU 29 Cb 0.04 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 2jaf h LEU 29 CO -0.06 0.15 0.21 0.28 -0.34 0.00 0.00 178.44 178.67 2jaf h SER 30 N -0.35 0.26 -0.54 1.25 0.02 -0.76 -2.63 113.55 110.81 2jaf h SER 30 Ca -0.01 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2jaf h SER 30 Cb 0.30 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 2jaf h SER 30 CO 0.02 0.19 0.32 0.77 -1.14 0.00 0.00 176.83 176.99 2jaf h SER 31 N 0.41 0.67 0.23 3.07 4.64 -1.04 -1.64 113.55 119.88 2jaf h SER 31 Ca 0.22 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2jaf h SER 31 Cb 0.18 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2jaf h SER 31 CO -0.19 0.52 -0.01 0.77 -0.87 0.00 0.00 176.83 177.05 2jaf h SER 32 N 0.77 0.00 0.01 4.97 4.64 -1.35 -1.18 113.55 121.40 2jaf h SER 32 Ca 0.20 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.16 2jaf h SER 32 Cb -0.01 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.03 2jaf h SER 32 CO -0.04 0.01 -1.98 0.18 -0.87 0.00 0.00 176.83 174.13 2jaf n LEU 33 N -3.21 2.00 -0.06 5.97 4.77 -0.68 -4.26 117.00 121.53 2jaf n LEU 33 Ca -0.02 0.34 0.01 0.00 -0.03 0.00 0.00 56.01 56.31 2jaf n LEU 33 Cb 0.13 -0.90 0.32 0.00 -2.33 0.00 0.00 43.42 40.64 2jaf n LEU 33 CO 0.23 0.48 1.08 -0.50 -1.33 0.00 0.00 177.39 177.35 2jaf h TRP 34 N -0.90 0.65 -0.93 -1.77 4.06 -1.30 -2.45 115.95 113.31 2jaf h TRP 34 Ca -0.54 -0.02 0.07 0.00 2.06 0.00 0.00 58.89 60.46 2jaf h TRP 34 Cb 1.52 -0.21 -0.07 0.00 -1.00 0.00 0.00 29.16 29.41 2jaf h TRP 34 CO 0.00 0.50 0.59 -0.24 -3.56 0.00 0.00 178.44 175.73 2jaf h VAL 35 N 0.66 1.05 0.00 1.49 3.04 -1.42 -2.10 116.25 118.97 2jaf h VAL 35 Ca 0.16 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 2jaf h VAL 35 Cb 0.10 -0.10 0.00 0.00 -2.01 0.00 0.00 31.29 29.28 2jaf h VAL 35 CO -0.02 0.19 -0.24 0.78 -1.01 0.00 0.00 177.57 177.28 2jaf h ASN 36 N 1.06 0.00 -0.49 3.17 2.35 -1.63 -1.34 115.58 118.71 2jaf h ASN 36 Ca 0.41 -0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 56.02 2jaf h ASN 36 Cb 0.19 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2jaf h ASN 36 CO -0.18 0.02 -0.12 0.58 -1.65 0.00 0.00 177.43 176.07 2jaf h VAL 37 N 0.00 1.27 -0.07 2.81 2.07 -1.11 0.78 116.25 122.00 2jaf h VAL 37 Ca 0.00 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 2jaf h VAL 37 Cb 0.88 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2jaf h VAL 37 CO 0.00 0.44 -0.05 0.00 0.02 0.00 0.00 177.57 177.97 2jaf h ALA 38 N 0.89 0.10 -0.74 1.67 0.00 -1.33 -1.43 119.26 118.41 2jaf h ALA 38 Ca 0.12 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2jaf h ALA 38 Cb 0.68 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2jaf h ALA 38 CO 0.05 -0.11 0.22 -0.07 0.00 0.00 0.00 179.25 179.33 2jaf h LEU 39 N -0.26 1.10 -0.95 0.00 3.38 -1.20 0.74 115.31 118.12 2jaf h LEU 39 Ca 0.01 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 2jaf h LEU 39 Cb 0.54 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2jaf h LEU 39 CO 0.01 1.02 -0.23 0.00 0.09 0.00 0.00 178.44 179.33 2jaf h ALA 40 N 1.11 1.11 -0.42 1.53 0.00 -0.87 -0.14 119.26 121.58 2jaf h ALA 40 Ca 0.24 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2jaf h ALA 40 Cb 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2jaf h ALA 40 CO -0.00 0.55 0.03 0.78 0.00 0.00 0.00 179.25 180.61 2jaf h GLY 41 N 1.01 0.79 1.14 0.00 0.00 -0.55 -1.97 103.07 103.48 2jaf h GLY 41 Ca 0.07 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.75 2jaf h GLY 41 CO 0.05 0.51 0.02 -2.22 0.00 0.00 0.00 176.54 174.90 2jaf h ILE 42 N 0.57 1.26 -0.24 2.60 2.04 -0.56 -2.75 117.51 120.43 2jaf h ILE 42 Ca 0.12 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.87 2jaf h ILE 42 Cb 0.44 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2jaf h ILE 42 CO 0.02 0.41 0.16 0.00 0.00 0.00 0.00 178.15 178.73 2jaf h ALA 43 N 1.05 0.31 -0.27 1.87 0.00 -0.84 0.41 119.26 121.78 2jaf h ALA 43 Ca 0.17 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2jaf h ALA 43 Cb 0.52 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2jaf h ALA 43 CO 0.03 -0.21 -0.08 0.82 0.00 0.00 0.00 179.25 179.80 2jaf h ILE 44 N 0.32 0.70 -0.75 0.00 2.04 -1.26 0.37 117.51 118.93 2jaf h ILE 44 Ca 0.09 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 2jaf h ILE 44 Cb -0.02 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2jaf h ILE 44 CO -0.02 0.00 0.37 -0.07 0.00 0.00 0.00 178.15 178.43 2jaf h LEU 45 N -0.02 0.97 -0.40 1.44 3.38 -1.20 -0.03 115.31 119.45 2jaf h LEU 45 Ca 0.13 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2jaf h LEU 45 Cb 0.22 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2jaf h LEU 45 CO -0.29 0.83 0.10 0.58 0.09 0.00 0.00 178.44 179.74 2jaf h VAL 46 N 1.05 1.23 -0.46 1.22 2.07 -0.15 -2.39 116.25 118.82 2jaf h VAL 46 Ca 0.26 -0.79 -0.08 0.00 0.82 0.00 0.00 66.70 66.90 2jaf h VAL 46 Cb 0.10 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2jaf h VAL 46 CO -0.03 0.28 -0.04 -0.26 0.02 0.00 0.00 177.57 177.53 2jaf h PHE 47 N 0.51 0.92 -0.61 1.57 0.04 -0.02 -0.04 116.94 119.30 2jaf h PHE 47 Ca 0.13 -0.18 0.04 0.00 2.80 0.00 0.00 57.97 60.76 2jaf h PHE 47 Cb 0.31 -0.23 -0.05 0.00 2.20 0.00 0.00 35.95 38.19 2jaf h PHE 47 CO 0.02 0.90 0.35 0.28 -0.60 0.00 0.00 178.31 179.26 2jaf h VAL 48 N 0.68 1.01 0.32 -0.55 2.07 -0.96 -1.86 116.25 116.96 2jaf h VAL 48 Ca 0.12 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 2jaf h VAL 48 Cb 0.56 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2jaf h VAL 48 CO 0.03 0.12 -0.15 0.22 0.02 0.00 0.00 177.57 177.81 2jaf h TYR 49 N 0.67 -0.40 -0.19 1.57 3.20 -1.18 -2.59 116.97 118.04 2jaf h TYR 49 Ca 0.26 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.18 2jaf h TYR 49 Cb 0.11 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 2jaf h TYR 49 CO -0.07 -0.22 0.31 0.52 -1.64 0.00 0.00 178.16 177.06 2jaf h MET 50 N -0.48 0.00 -0.24 1.82 2.86 -0.62 0.29 114.93 118.56 2jaf h MET 50 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2jaf h MET 50 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2jaf h MET 50 CO 0.07 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.45 2jaf n GLY 51 N -1.36 0.86 0.31 8.32 0.00 -0.73 -4.48 105.19 108.10 2jaf n GLY 51 Ca 0.02 -0.55 0.13 0.00 0.00 0.00 0.00 46.02 45.61 2jaf n GLY 51 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jaf h ARG 52 N 3.19 0.22 -0.96 1.61 0.11 -0.30 -2.21 114.38 116.04 2jaf h ARG 52 Ca 0.00 -0.01 -0.56 0.00 0.10 0.00 0.00 59.98 59.50 2jaf h ARG 52 Cb 0.70 -0.05 -0.42 0.00 1.11 0.00 0.00 29.97 31.31 2jaf h ARG 52 CO 0.00 0.15 -0.74 0.25 0.10 0.00 0.00 179.97 179.72 2jaf n THR 53 N -5.21 2.52 -3.04 0.08 -2.24 -1.26 -5.02 114.28 100.11 2jaf n THR 53 Ca 0.21 -4.37 -0.41 0.00 -2.27 0.00 0.00 64.05 57.21 2jaf n THR 53 Cb 0.67 -1.17 -0.05 0.00 -2.10 0.00 0.00 70.33 67.67 2jaf n THR 53 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2jaf s ILE 54 N -4.85 4.95 0.56 2.28 -1.09 -0.83 -5.03 121.20 117.18 2jaf s ILE 54 Ca 0.51 1.30 -0.21 0.00 -2.23 0.00 0.00 60.65 60.01 2jaf s ILE 54 Cb 0.41 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 2jaf s ILE 54 CO -0.02 0.02 1.33 0.00 -1.23 0.00 0.00 174.94 175.04 2jaf s ARG 55 N 2.41 3.07 0.95 2.79 1.70 -1.26 -4.70 118.95 123.91 2jaf s ARG 55 Ca 0.30 2.16 -0.11 0.00 -0.47 0.00 0.00 55.73 57.61 2jaf s ARG 55 Cb -0.16 -2.18 0.17 0.00 -0.57 0.00 0.00 34.95 32.21 2jaf s ARG 55 CO 0.09 -1.22 1.10 -1.25 -1.08 0.00 0.00 175.30 172.93 2jaf s PRO 56 N -2.99 0.74 0.00 3.89 0.04 -1.26 -2.67 135.00 132.75 2jaf s PRO 56 Ca 0.73 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2jaf s PRO 56 Cb -0.39 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2jaf s PRO 56 CO 0.45 -2.70 0.00 0.41 0.04 0.00 0.00 177.00 175.20 2jaf n GLY 57 N -0.11 0.84 0.11 0.56 0.00 -1.26 -4.59 105.19 100.75 2jaf n GLY 57 Ca 0.08 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 2jaf n GLY 57 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jaf h ARG 58 N 0.00 -0.09 0.29 1.61 2.47 -1.86 -2.31 114.38 114.49 2jaf h ARG 58 Ca 0.00 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2jaf h ARG 58 Cb 0.00 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.31 2jaf h ARG 58 CO 0.00 -0.06 -0.48 -1.35 0.56 0.00 0.00 179.97 178.65 2jaf h PRO 59 N -0.09 -0.78 -0.73 0.04 0.11 -1.81 -1.55 132.00 127.18 2jaf h PRO 59 Ca 0.05 0.05 0.12 0.00 0.11 0.00 0.00 66.00 66.33 2jaf h PRO 59 Cb 0.16 0.18 -0.05 0.00 0.11 0.00 0.00 31.00 31.40 2jaf h PRO 59 CO -0.12 -0.52 0.48 -0.09 -0.21 0.00 0.00 178.00 177.55 2jaf h ARG 60 N -0.81 0.53 -0.38 1.05 2.43 -1.54 -0.57 114.38 115.09 2jaf h ARG 60 Ca -0.03 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 2jaf h ARG 60 Cb 0.75 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2jaf h ARG 60 CO -0.16 0.35 0.03 1.25 -1.51 0.00 0.00 179.97 179.92 2jaf h LEU 61 N 0.54 0.63 -0.96 3.80 5.85 -0.98 -1.62 115.31 122.57 2jaf h LEU 61 Ca 0.35 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 2jaf h LEU 61 Cb 0.61 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2jaf h LEU 61 CO -0.12 0.76 -0.50 0.40 -0.34 0.00 0.00 178.44 178.64 2jaf h ILE 62 N 0.48 1.36 -0.48 4.05 2.04 -0.52 -2.48 117.51 121.95 2jaf h ILE 62 Ca 0.11 -1.72 -0.00 0.00 1.00 0.00 0.00 64.86 64.25 2jaf h ILE 62 Cb 0.42 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 2jaf h ILE 62 CO 0.01 0.50 0.28 -0.25 0.00 0.00 0.00 178.15 178.69 2jaf h TRP 63 N 0.04 0.64 -0.32 1.37 7.01 -0.76 -0.33 115.95 123.60 2jaf h TRP 63 Ca -0.00 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 2jaf h TRP 63 Cb 0.90 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.74 2jaf h TRP 63 CO 0.00 0.46 0.04 0.78 -2.79 0.00 0.00 178.44 176.93 2jaf h GLY 64 N 0.64 0.57 1.30 2.65 0.00 -1.06 -0.14 103.07 107.04 2jaf h GLY 64 Ca 0.17 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2jaf h GLY 64 CO -0.03 0.36 0.40 0.00 0.00 0.00 0.00 176.54 177.27 2jaf h ALA 65 N 0.88 1.42 -0.29 3.60 0.00 -1.30 -2.34 119.26 121.23 2jaf h ALA 65 Ca 0.09 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 2jaf h ALA 65 Cb 0.37 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2jaf h ALA 65 CO 0.01 0.49 -0.49 1.15 0.00 0.00 0.00 179.25 180.41 2jaf h THR 66 N 0.94 1.28 -0.44 0.00 2.02 -0.78 -3.09 112.91 112.85 2jaf h THR 66 Ca 0.24 -1.68 0.04 0.00 0.77 0.00 0.00 66.41 65.78 2jaf h THR 66 Cb -0.02 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 2jaf h THR 66 CO -0.04 0.55 0.30 -0.07 0.37 0.00 0.00 175.52 176.62 2jaf h LEU 67 N 0.63 0.38 -0.29 2.58 3.38 -0.49 -2.29 115.31 119.21 2jaf h LEU 67 Ca 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jaf h LEU 67 Cb 1.07 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2jaf h LEU 67 CO 0.11 0.26 0.00 0.24 0.09 0.00 0.00 178.44 179.13 2jaf h MET 68 N 0.44 0.00 0.09 1.13 2.86 -1.40 -3.20 114.93 114.84 2jaf h MET 68 Ca 0.18 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2jaf h MET 68 Cb 0.19 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 2jaf h MET 68 CO -0.05 0.00 -0.06 0.82 1.06 0.00 0.00 176.91 178.68 2jaf h ILE 69 N 0.00 0.86 0.00 -1.22 2.04 -1.46 0.50 117.51 118.23 2jaf h ILE 69 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2jaf h ILE 69 Cb 0.68 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 2jaf h ILE 69 CO 0.00 0.00 -0.14 1.55 0.00 0.00 0.00 178.15 179.56 2jaf h PRO 70 N -0.15 0.00 -0.23 2.37 0.13 -1.72 -2.20 132.00 130.19 2jaf h PRO 70 Ca -0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2jaf h PRO 70 Cb 0.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.26 2jaf h PRO 70 CO -0.00 0.14 -0.01 -0.07 -0.23 0.00 0.00 178.00 177.83 2jaf h LEU 71 N 0.00 0.42 -0.77 1.56 3.38 -1.40 -0.71 115.31 117.78 2jaf h LEU 71 Ca -0.00 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.55 2jaf h LEU 71 Cb 0.82 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2jaf h LEU 71 CO 0.02 0.64 -0.13 0.58 0.09 0.00 0.00 178.44 179.64 2jaf h VAL 72 N 0.18 1.26 -0.23 1.22 2.07 -0.84 -2.79 116.25 117.12 2jaf h VAL 72 Ca 0.06 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.38 2jaf h VAL 72 Cb 0.44 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2jaf h VAL 72 CO 0.01 0.41 0.15 -1.28 0.02 0.00 0.00 177.57 176.89 2jaf h SER 73 N 0.71 0.27 -0.92 0.57 0.87 -1.16 -1.29 113.55 112.60 2jaf h SER 73 Ca 0.12 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2jaf h SER 73 Cb 0.62 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.46 2jaf h SER 73 CO 0.04 0.20 0.60 0.40 -0.53 0.00 0.00 176.83 177.54 2jaf h ILE 74 N 0.31 1.19 -0.98 2.23 2.04 -1.03 -1.22 117.51 120.04 2jaf h ILE 74 Ca 0.08 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.56 2jaf h ILE 74 Cb -0.03 -0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 35.89 2jaf h ILE 74 CO -0.02 0.22 0.64 0.28 0.00 0.00 0.00 178.15 179.27 2jaf h SER 75 N 1.19 1.09 -0.03 1.72 0.02 -1.17 -1.16 113.55 115.20 2jaf h SER 75 Ca 0.35 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2jaf h SER 75 Cb -0.06 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.22 2jaf h SER 75 CO -0.10 0.76 0.01 -1.28 -1.14 0.00 0.00 176.83 175.09 2jaf h SER 76 N 1.27 0.05 0.05 3.07 0.87 -0.10 -2.19 113.55 116.56 2jaf h SER 76 Ca 0.37 -0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.71 2jaf h SER 76 Cb -0.06 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2jaf h SER 76 CO -0.10 0.20 -0.15 1.88 -0.53 0.00 0.00 176.83 178.13 2jaf h TYR 77 N -0.12 0.22 -0.44 2.24 0.05 -0.99 -1.72 116.97 116.21 2jaf h TYR 77 Ca 0.01 -0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.64 2jaf h TYR 77 Cb 0.17 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 2jaf h TYR 77 CO -0.02 0.36 -0.21 -0.07 -1.05 0.00 0.00 178.16 177.17 2jaf h LEU 78 N 0.20 0.90 -0.64 3.88 3.38 -1.11 0.20 115.31 122.12 2jaf h LEU 78 Ca 0.04 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2jaf h LEU 78 Cb 0.39 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2jaf h LEU 78 CO 0.02 1.08 0.38 1.23 0.09 0.00 0.00 178.44 181.25 2jaf h GLY 79 N 0.93 0.93 0.59 0.83 0.00 -0.72 -0.55 103.07 105.08 2jaf h GLY 79 Ca 0.11 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 2jaf h GLY 79 CO 0.06 0.38 -0.05 1.41 0.00 0.00 0.00 176.54 178.34 2jaf h LEU 80 N 0.87 -0.11 -0.66 3.11 3.38 -1.03 -2.06 115.31 118.80 2jaf h LEU 80 Ca 0.23 -0.34 0.09 0.00 0.09 0.00 0.00 57.88 57.94 2jaf h LEU 80 Cb -0.02 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 2jaf h LEU 80 CO -0.04 0.30 0.31 -0.07 0.09 0.00 0.00 178.44 179.03 2jaf h LEU 81 N -0.55 0.39 -0.88 1.67 3.38 -0.51 -1.19 115.31 117.61 2jaf h LEU 81 Ca -0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2jaf h LEU 81 Cb 0.45 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2jaf h LEU 81 CO 0.02 0.23 0.00 0.77 0.09 0.00 0.00 178.44 179.55 2jaf h SER 82 N 0.54 0.00 0.00 -0.43 4.64 -1.13 -3.46 113.55 113.70 2jaf h SER 82 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2jaf h SER 82 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2jaf h SER 82 CO -0.26 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.31 2jaf n GLY 83 N 0.14 1.44 0.26 -0.77 0.00 -0.45 -4.92 105.19 100.88 2jaf n GLY 83 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 2jaf n GLY 83 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jaf h LEU 84 N 0.00 0.54 -3.76 0.99 5.85 -1.64 -2.97 115.31 114.32 2jaf h LEU 84 Ca 0.00 0.03 -0.50 0.00 0.84 0.00 0.00 57.88 58.25 2jaf h LEU 84 Cb 0.00 -0.08 -0.29 0.00 0.37 0.00 0.00 40.66 40.66 2jaf h LEU 84 CO 0.00 0.35 0.06 0.35 -0.34 0.00 0.00 178.44 178.85 2jaf n THR 85 N -4.79 2.97 -4.66 1.05 -2.24 -0.96 -4.94 114.28 100.71 2jaf n THR 85 Ca 0.08 -3.25 -0.22 0.00 -2.27 0.00 0.00 64.05 58.38 2jaf n THR 85 Cb 0.17 -0.90 -0.15 0.00 -2.10 0.00 0.00 70.33 67.35 2jaf n THR 85 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2jaf s VAL 86 N -4.26 1.13 0.22 2.28 1.01 -1.12 -0.99 120.40 118.67 2jaf s VAL 86 Ca 0.55 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 2jaf s VAL 86 Cb 0.45 -0.94 -0.00 0.00 0.00 0.00 0.00 36.38 35.88 2jaf s VAL 86 CO 0.02 0.32 0.42 -0.83 0.00 0.00 0.00 175.10 175.02 2jaf s GLY 87 N -0.33 0.51 -0.20 4.51 0.00 -0.91 -4.93 107.32 105.97 2jaf s GLY 87 Ca 0.05 -0.86 -0.09 0.00 0.00 0.00 0.00 44.72 43.83 2jaf s GLY 87 CO -0.01 -0.68 0.10 1.06 0.00 0.00 0.00 173.10 173.57 2jaf s MET 88 N -4.00 4.04 -0.06 2.90 -1.94 -1.26 -0.50 119.30 118.47 2jaf s MET 88 Ca 0.21 -0.30 0.05 0.00 -1.71 0.00 0.00 55.69 53.94 2jaf s MET 88 Cb 0.01 -3.34 -0.01 0.00 2.01 0.00 0.00 34.83 33.50 2jaf s MET 88 CO 0.06 0.22 -0.23 0.42 -0.01 0.00 0.00 175.02 175.48 2jaf s ILE 89 N 0.56 1.90 -0.19 2.53 -1.09 -0.39 -4.90 121.20 119.63 2jaf s ILE 89 Ca 0.05 -0.98 -0.24 0.00 -2.23 0.00 0.00 60.65 57.26 2jaf s ILE 89 Cb -0.12 -1.62 -0.02 0.00 -1.58 0.00 0.00 42.46 39.12 2jaf s ILE 89 CO 0.01 0.53 0.77 -0.70 -1.23 0.00 0.00 174.94 174.31 2jaf s GLU 90 N -0.06 4.25 0.25 2.79 2.12 -1.26 -1.02 118.70 125.77 2jaf s GLU 90 Ca -0.05 0.88 -0.30 0.00 0.36 0.00 0.00 54.97 55.86 2jaf s GLU 90 Cb -0.14 -3.59 -0.09 0.00 0.26 0.00 0.00 34.13 30.58 2jaf s GLU 90 CO 0.04 -0.33 1.08 -1.64 -0.54 0.00 0.00 175.26 173.87 2jaf s MET 91 N 2.17 4.66 0.75 4.30 -1.94 -0.74 -4.79 119.30 123.71 2jaf s MET 91 Ca 0.35 1.74 -0.11 0.00 -1.71 0.00 0.00 55.69 55.95 2jaf s MET 91 Cb -0.16 -3.22 0.04 0.00 2.01 0.00 0.00 34.83 33.49 2jaf s MET 91 CO 0.11 0.23 1.09 -1.25 -0.01 0.00 0.00 175.02 175.19 2jaf s PRO 92 N -1.16 2.52 0.32 2.03 0.04 -1.26 -1.33 135.00 136.17 2jaf s PRO 92 Ca 0.45 0.61 -0.28 0.00 0.04 0.00 0.00 61.00 61.82 2jaf s PRO 92 Cb -0.31 -1.97 -0.13 0.00 0.04 0.00 0.00 34.50 32.13 2jaf s PRO 92 CO 0.38 -1.31 1.11 0.00 0.04 0.00 0.00 177.00 177.22 2jaf n ALA 93 N -3.21 0.35 0.00 8.56 0.00 -1.26 -2.03 120.51 122.91 2jaf n ALA 93 Ca 0.07 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2jaf n ALA 93 Cb 0.56 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.90 2jaf n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jaf n GLY 94 N 1.06 2.89 3.78 0.00 0.00 -1.26 -4.33 105.19 107.34 2jaf n GLY 94 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2jaf n GLY 94 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2jaf s HIS 95 N -2.91 2.88 0.54 1.61 5.04 -0.86 -4.91 115.29 116.67 2jaf s HIS 95 Ca 0.00 1.57 0.25 0.00 -1.54 0.00 0.00 55.06 55.33 2jaf s HIS 95 Cb 0.00 -3.19 1.42 0.00 0.04 0.00 0.00 32.58 30.85 2jaf s HIS 95 CO 0.00 -1.17 2.02 0.00 -2.34 0.00 0.00 174.74 173.25 2jaf h ALA 96 N 1.54 2.33 -0.34 1.58 0.00 -1.88 -1.14 119.26 121.35 2jaf h ALA 96 Ca -0.50 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.18 2jaf h ALA 96 Cb 1.24 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 2jaf h ALA 96 CO 0.59 -0.53 -0.33 1.28 0.00 0.00 0.00 179.25 180.25 2jaf n LEU 97 N -4.29 3.96 -4.65 0.00 4.77 -1.26 -5.05 117.00 110.48 2jaf n LEU 97 Ca 0.07 -4.05 -0.45 0.00 -0.03 0.00 0.00 56.01 51.55 2jaf n LEU 97 Cb 0.51 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2jaf n LEU 97 CO 0.35 1.50 0.90 0.00 -1.33 0.00 0.00 177.39 178.81 2jaf n ALA 98 N -1.03 0.61 -0.79 -1.18 0.00 -0.44 -1.37 120.51 116.30 2jaf n ALA 98 Ca 0.32 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.17 2jaf n ALA 98 Cb 0.89 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 18.14 2jaf n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jaf n GLY 99 N 1.91 0.76 3.49 0.00 0.00 -0.44 -4.98 105.19 105.93 2jaf n GLY 99 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 2jaf n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jaf s GLU 100 N -0.21 1.75 -0.15 1.61 2.02 -0.47 -4.95 118.70 118.29 2jaf s GLU 100 Ca 0.00 -1.47 -0.15 0.00 0.02 0.00 0.00 54.97 53.38 2jaf s GLU 100 Cb 0.00 -1.95 -0.05 0.00 0.10 0.00 0.00 34.13 32.23 2jaf s GLU 100 CO 0.00 0.40 0.32 -1.64 0.02 0.00 0.00 175.26 174.36 2jaf s MET 101 N -2.86 4.27 0.11 1.61 -1.94 -1.26 -1.80 119.30 117.43 2jaf s MET 101 Ca 0.24 0.15 0.10 0.00 -1.71 0.00 0.00 55.69 54.47 2jaf s MET 101 Cb -0.08 -3.43 -0.04 0.00 2.01 0.00 0.00 34.83 33.30 2jaf s MET 101 CO 0.13 0.22 -0.26 0.14 -0.01 0.00 0.00 175.02 175.24 2jaf s VAL 102 N 0.49 2.18 -0.19 -6.03 -7.23 -0.19 -4.89 120.40 104.54 2jaf s VAL 102 Ca 0.18 -1.66 -0.29 0.00 -1.81 0.00 0.00 61.98 58.40 2jaf s VAL 102 Cb -0.13 -1.92 -0.00 0.00 0.56 0.00 0.00 36.38 34.89 2jaf s VAL 102 CO 0.05 0.13 1.17 -0.60 -0.31 0.00 0.00 175.10 175.54 2jaf s ARG 103 N -1.88 4.24 -0.27 4.82 3.52 -1.26 -1.26 118.95 126.87 2jaf s ARG 103 Ca 0.13 1.54 -0.04 0.00 -0.13 0.00 0.00 55.73 57.22 2jaf s ARG 103 Cb -0.10 -3.71 0.02 0.00 -1.56 0.00 0.00 34.95 29.59 2jaf s ARG 103 CO 0.05 -0.68 0.00 0.45 -0.81 0.00 0.00 175.30 174.32 2jaf s SER 104 N 1.66 4.68 -1.45 -2.12 0.15 0.34 -4.98 113.70 111.98 2jaf s SER 104 Ca 0.50 -0.76 -0.10 0.00 0.70 0.00 0.00 55.95 56.30 2jaf s SER 104 Cb -0.19 -1.77 0.04 0.00 -1.71 0.00 0.00 66.02 62.39 2jaf s SER 104 CO 0.11 -0.15 2.47 0.00 1.20 0.00 0.00 173.24 176.87 2jaf n GLN 105 N 4.77 3.74 0.20 5.44 6.02 -1.26 -2.13 117.38 134.16 2jaf n GLN 105 Ca -0.16 -2.84 0.14 0.00 -0.01 0.00 0.00 57.00 54.13 2jaf n GLN 105 Cb 0.48 -2.88 0.70 0.00 1.02 0.00 0.00 30.24 29.55 2jaf n GLN 105 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 2jaf h TRP 106 N 5.24 0.00 0.00 1.08 5.08 -1.91 -1.84 115.95 123.59 2jaf h TRP 106 Ca 0.68 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.62 2jaf h TRP 106 Cb 0.42 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.58 2jaf h TRP 106 CO 1.61 0.00 -0.14 0.78 -1.28 0.00 0.00 178.44 179.41 2jaf h GLY 107 N 0.93 0.00 0.77 11.11 0.00 -1.34 -2.08 103.07 112.46 2jaf h GLY 107 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jaf h GLY 107 CO 0.00 0.00 -0.02 3.21 0.00 0.00 0.00 176.54 179.73 2jaf h ARG 108 N 0.00 -0.05 -0.97 4.80 3.08 -1.60 -1.40 114.38 118.24 2jaf h ARG 108 Ca -0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2jaf h ARG 108 Cb 0.40 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 2jaf h ARG 108 CO 0.02 0.19 0.64 1.88 -1.07 0.00 0.00 179.97 181.62 2jaf h TYR 109 N -0.28 1.23 -0.14 3.04 0.05 -1.62 -1.68 116.97 117.56 2jaf h TYR 109 Ca -0.01 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 2jaf h TYR 109 Cb 0.26 -0.41 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 2jaf h TYR 109 CO 0.00 0.78 0.01 1.25 -1.05 0.00 0.00 178.16 179.15 2jaf h LEU 110 N 1.32 0.24 -1.34 3.88 5.85 -1.29 -3.12 115.31 120.85 2jaf h LEU 110 Ca 0.35 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 2jaf h LEU 110 Cb -0.14 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2jaf h LEU 110 CO -0.08 0.46 -0.24 0.74 -0.34 0.00 0.00 178.44 178.99 2jaf h THR 111 N 0.01 0.68 0.00 1.05 2.02 -1.05 -2.27 112.91 113.35 2jaf h THR 111 Ca 0.04 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.17 2jaf h THR 111 Cb 0.33 1.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.41 2jaf h THR 111 CO 0.00 0.23 -0.05 -0.50 0.37 0.00 0.00 175.52 175.58 2jaf h TRP 112 N 0.00 0.00 0.00 3.16 6.55 -1.24 -0.33 115.95 124.09 2jaf h TRP 112 Ca -0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2jaf h TRP 112 Cb 0.65 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.95 2jaf h TRP 112 CO 0.00 0.05 0.00 0.00 -1.05 0.00 0.00 178.44 177.44 2jaf n ALA 113 N -2.43 1.29 -0.06 1.49 0.00 -0.85 -0.96 120.51 118.99 2jaf n ALA 113 Ca -0.03 0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.48 2jaf n ALA 113 Cb 0.13 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.18 2jaf n ALA 113 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jaf n LEU 114 N -2.26 2.68 -0.09 0.00 7.94 -0.25 -4.54 117.00 120.48 2jaf n LEU 114 Ca -0.00 -0.03 -0.14 0.00 -1.11 0.00 0.00 56.01 54.73 2jaf n LEU 114 Cb 0.11 -0.38 -0.03 0.00 0.53 0.00 0.00 43.42 43.65 2jaf n LEU 114 CO 0.14 0.62 0.46 0.77 -1.11 0.00 0.00 177.39 178.28 2jaf h SER 115 N -0.06 0.98 -0.08 1.96 4.64 -1.13 -2.94 113.55 116.91 2jaf h SER 115 Ca -0.26 -0.51 -0.11 0.00 -0.47 0.00 0.00 61.79 60.45 2jaf h SER 115 Cb 1.37 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 2jaf h SER 115 CO -0.06 1.30 -0.28 0.71 -0.87 0.00 0.00 176.83 177.63 2jaf h THR 116 N 0.69 1.28 -0.04 2.95 1.35 -1.29 -1.67 112.91 116.18 2jaf h THR 116 Ca 0.03 -1.35 -0.06 0.00 -0.55 0.00 0.00 66.41 64.47 2jaf h THR 116 Cb 1.11 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 2jaf h THR 116 CO 0.12 0.43 -0.27 -0.65 -0.25 0.00 0.00 175.52 174.90 2jaf h PRO 117 N 0.47 0.07 -0.17 4.72 0.11 -1.73 -1.28 132.00 134.19 2jaf h PRO 117 Ca 0.06 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.00 2jaf h PRO 117 Cb 0.73 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 2jaf h PRO 117 CO 0.06 0.34 -0.53 0.52 -0.21 0.00 0.00 178.00 178.17 2jaf h MET 118 N 0.06 0.49 -0.37 1.05 2.86 -1.23 0.16 114.93 117.95 2jaf h MET 118 Ca 0.01 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.32 2jaf h MET 118 Cb 0.51 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 2jaf h MET 118 CO 0.04 0.90 0.12 0.82 1.06 0.00 0.00 176.91 179.85 2jaf h ILE 119 N 0.38 1.21 -0.17 -1.22 2.04 -0.77 -0.98 117.51 117.99 2jaf h ILE 119 Ca 0.01 -0.67 -0.09 0.00 1.00 0.00 0.00 64.86 65.11 2jaf h ILE 119 Cb 1.05 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 2jaf h ILE 119 CO 0.10 0.23 -0.27 -0.07 0.00 0.00 0.00 178.15 178.14 2jaf h LEU 120 N 0.45 0.32 -0.21 1.44 3.38 -1.06 -1.53 115.31 118.10 2jaf h LEU 120 Ca 0.12 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2jaf h LEU 120 Cb 0.24 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2jaf h LEU 120 CO -0.00 0.59 0.02 0.25 0.09 0.00 0.00 178.44 179.38 2jaf h LEU 121 N 0.29 0.35 -0.28 1.67 5.85 -0.35 0.27 115.31 123.10 2jaf h LEU 121 Ca 0.04 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2jaf h LEU 121 Cb 0.63 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2jaf h LEU 121 CO 0.05 0.55 0.18 0.00 -0.34 0.00 0.00 178.44 178.87 2jaf h ALA 122 N 0.81 0.36 -0.66 1.25 0.00 -0.94 0.21 119.26 120.29 2jaf h ALA 122 Ca 0.06 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2jaf h ALA 122 Cb 0.36 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2jaf h ALA 122 CO 0.01 -0.18 0.12 1.25 0.00 0.00 0.00 179.25 180.45 2jaf h LEU 123 N 0.37 1.01 -0.53 0.00 6.46 -1.21 -1.91 115.31 119.51 2jaf h LEU 123 Ca 0.11 -0.23 -0.06 0.00 -0.12 0.00 0.00 57.88 57.58 2jaf h LEU 123 Cb -0.03 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.61 2jaf h LEU 123 CO -0.03 1.00 0.10 1.23 -0.62 0.00 0.00 178.44 180.12 2jaf h GLY 124 N 1.05 0.93 0.88 3.75 0.00 0.00 -1.10 103.07 108.58 2jaf h GLY 124 Ca 0.20 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 2jaf h GLY 124 CO 0.01 0.56 0.06 1.41 0.00 0.00 0.00 176.54 178.59 2jaf h LEU 125 N 0.76 0.38 -0.71 3.11 3.38 -0.85 0.23 115.31 121.60 2jaf h LEU 125 Ca 0.16 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 57.99 2jaf h LEU 125 Cb 0.38 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 2jaf h LEU 125 CO 0.01 0.51 0.37 0.25 0.09 0.00 0.00 178.44 179.67 2jaf h LEU 126 N 0.24 0.51 -0.11 1.67 5.85 -1.20 0.13 115.31 122.40 2jaf h LEU 126 Ca 0.08 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2jaf h LEU 126 Cb 0.28 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2jaf h LEU 126 CO 0.00 0.30 -0.09 0.00 -0.34 0.00 0.00 178.44 178.31 2jaf n ALA 127 N -2.39 2.68 -3.78 1.25 0.00 -0.43 -4.82 120.51 113.02 2jaf n ALA 127 Ca 0.11 -0.21 -0.31 0.00 0.00 0.00 0.00 53.44 53.03 2jaf n ALA 127 Cb 0.25 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.34 2jaf n ALA 127 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jaf n ASP 128 N -1.18 -3.87 -4.87 0.00 2.03 0.76 -3.24 116.55 106.18 2jaf n ASP 128 Ca 0.12 -1.03 -0.26 0.00 0.52 0.00 0.00 54.79 54.14 2jaf n ASP 128 Cb 0.28 -3.19 0.08 0.00 -0.72 0.00 0.00 41.12 37.57 2jaf n ASP 128 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2jaf s VAL 129 N -3.60 2.21 0.38 5.18 -7.23 -0.96 -4.86 120.40 111.51 2jaf s VAL 129 Ca 0.35 -0.23 -0.27 0.00 -1.81 0.00 0.00 61.98 60.02 2jaf s VAL 129 Cb -0.13 -2.98 -0.09 0.00 0.56 0.00 0.00 36.38 33.73 2jaf s VAL 129 CO 0.87 0.00 1.27 -1.81 -0.31 0.00 0.00 175.10 175.12 2jaf s ASP 130 N -4.56 6.54 0.36 4.85 1.01 -1.26 -4.90 116.67 118.71 2jaf s ASP 130 Ca 0.61 2.59 0.04 0.00 0.71 0.00 0.00 52.55 56.50 2jaf s ASP 130 Cb -0.10 -2.64 0.69 0.00 1.01 0.00 0.00 42.92 41.88 2jaf s ASP 130 CO 0.46 -0.69 1.99 -0.07 0.21 0.00 0.00 175.17 177.08 2jaf h LEU 131 N 2.94 0.69 -0.67 1.23 -0.00 -1.99 -1.28 115.31 116.23 2jaf h LEU 131 Ca -0.49 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 57.32 2jaf h LEU 131 Cb 1.24 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 41.71 2jaf h LEU 131 CO 0.64 0.48 0.17 1.23 -0.00 0.00 0.00 178.44 180.96 2jaf h GLY 132 N 0.80 1.15 0.88 0.83 0.00 -1.99 -0.84 103.07 103.90 2jaf h GLY 132 Ca 0.26 -0.72 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 2jaf h GLY 132 CO -0.07 0.67 -0.00 0.23 0.00 0.00 0.00 176.54 177.37 2jaf h SER 133 N 1.00 0.51 -0.67 0.19 0.87 -1.75 -2.09 113.55 111.61 2jaf h SER 133 Ca 0.21 -0.31 0.06 0.00 -1.23 0.00 0.00 61.79 60.52 2jaf h SER 133 Cb 0.36 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.12 2jaf h SER 133 CO 0.00 0.69 0.38 0.25 -0.53 0.00 0.00 176.83 177.62 2jaf h LEU 134 N 0.31 0.56 -0.05 2.23 5.85 -1.04 -1.23 115.31 121.94 2jaf h LEU 134 Ca 0.08 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2jaf h LEU 134 Cb 0.44 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2jaf h LEU 134 CO 0.02 0.36 -0.09 -0.26 -0.34 0.00 0.00 178.44 178.12 2jaf h PHE 135 N 0.69 -0.23 -0.92 1.25 0.04 -0.95 -1.45 116.94 115.37 2jaf h PHE 135 Ca 0.30 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.07 2jaf h PHE 135 Cb 0.19 0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 2jaf h PHE 135 CO -0.08 -0.14 0.52 1.15 -0.60 0.00 0.00 178.31 179.16 2jaf h THR 136 N -0.14 1.26 -0.50 -1.55 2.02 -0.92 -2.15 112.91 110.94 2jaf h THR 136 Ca 0.05 -0.62 -0.12 0.00 0.77 0.00 0.00 66.41 66.49 2jaf h THR 136 Cb 0.21 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 2jaf h THR 136 CO -0.13 0.29 -0.15 0.58 0.37 0.00 0.00 175.52 176.47 2jaf h VAL 137 N 1.28 1.27 -0.41 3.16 2.07 -0.97 -1.58 116.25 121.07 2jaf h VAL 137 Ca 0.33 -1.31 -0.11 0.00 0.82 0.00 0.00 66.70 66.43 2jaf h VAL 137 Cb -0.00 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2jaf h VAL 137 CO -0.06 0.46 -0.17 0.40 0.02 0.00 0.00 177.57 178.22 2jaf h ILE 138 N 0.86 1.27 -0.51 4.57 2.04 -1.07 0.01 117.51 124.67 2jaf h ILE 138 Ca 0.12 -1.27 -0.06 0.00 1.00 0.00 0.00 64.86 64.66 2jaf h ILE 138 Cb 0.72 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 2jaf h ILE 138 CO 0.06 0.43 0.09 0.00 0.00 0.00 0.00 178.15 178.73 2jaf h ALA 139 N 1.10 0.68 -0.56 1.87 0.00 -1.25 0.66 119.26 121.76 2jaf h ALA 139 Ca 0.11 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2jaf h ALA 139 Cb 0.68 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2jaf h ALA 139 CO 0.05 0.40 0.08 0.00 0.00 0.00 0.00 179.25 179.78 2jaf h ALA 140 N 0.98 1.08 -0.42 0.00 0.00 -0.99 -1.09 119.26 118.81 2jaf h ALA 140 Ca 0.16 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2jaf h ALA 140 Cb 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2jaf h ALA 140 CO 0.01 0.60 0.06 0.22 0.00 0.00 0.00 179.25 180.13 2jaf h ASP 141 N 0.86 0.68 -0.84 0.00 3.58 -0.56 -1.08 116.42 119.06 2jaf h ASP 141 Ca 0.17 -0.27 -0.04 0.00 0.42 0.00 0.00 57.03 57.32 2jaf h ASP 141 Cb 0.40 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 2jaf h ASP 141 CO 0.01 0.77 0.38 0.40 -2.88 0.00 0.00 179.24 177.93 2jaf h ILE 142 N 0.55 1.26 -0.79 2.25 2.04 -0.53 -1.63 117.51 120.67 2jaf h ILE 142 Ca 0.13 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 2jaf h ILE 142 Cb 0.39 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 2jaf h ILE 142 CO 0.01 0.32 0.44 1.23 0.00 0.00 0.00 178.15 180.15 2jaf h GLY 143 N 1.20 1.18 0.99 5.37 0.00 -0.87 -0.51 103.07 110.43 2jaf h GLY 143 Ca 0.28 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 2jaf h GLY 143 CO -0.03 0.51 0.27 1.98 0.00 0.00 0.00 176.54 179.27 2jaf h MET 144 N 1.10 0.59 -0.36 4.80 1.85 -0.63 -1.40 114.93 120.88 2jaf h MET 144 Ca 0.28 -0.05 -0.05 0.00 -0.61 0.00 0.00 59.70 59.26 2jaf h MET 144 Cb 0.03 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 31.92 2jaf h MET 144 CO -0.05 0.43 0.01 0.00 -0.40 0.00 0.00 176.91 176.90 2jaf h VAL 146 N 0.44 1.41 0.00 0.00 -1.51 -1.01 -1.66 116.25 113.91 2jaf h VAL 146 Ca 0.10 -2.03 -0.14 0.00 -1.23 0.00 0.00 66.70 63.40 2jaf h VAL 146 Cb 0.45 2.06 -0.02 0.00 -2.13 0.00 0.00 31.29 31.64 2jaf h VAL 146 CO 0.02 0.59 -0.65 0.71 -1.23 0.00 0.00 177.57 177.01 2jaf h THR 147 N 0.11 1.33 -0.48 7.19 1.35 -1.25 -0.99 112.91 120.17 2jaf h THR 147 Ca -0.01 -2.34 -0.13 0.00 -0.55 0.00 0.00 66.41 63.39 2jaf h THR 147 Cb 1.11 2.31 -0.01 0.00 -1.73 0.00 0.00 68.15 69.82 2jaf h THR 147 CO 0.09 0.64 -0.21 1.23 -0.25 0.00 0.00 175.52 177.02 2jaf h GLY 148 N 2.38 1.06 1.07 5.82 0.00 -1.07 -0.28 103.07 112.06 2jaf h GLY 148 Ca -0.01 -0.93 -0.07 0.00 0.00 0.00 0.00 47.33 46.32 2jaf h GLY 148 CO 0.08 0.84 0.15 -2.00 0.00 0.00 0.00 176.54 175.62 2jaf h LEU 149 N 0.84 1.08 -0.89 3.11 5.85 -1.06 -2.48 115.31 121.76 2jaf h LEU 149 Ca 0.11 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 2jaf h LEU 149 Cb 0.78 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 2jaf h LEU 149 CO 0.06 1.05 0.43 0.00 -0.34 0.00 0.00 178.44 179.64 2jaf h ALA 150 N 1.08 1.14 -0.67 1.25 0.00 -0.80 -0.42 119.26 120.84 2jaf h ALA 150 Ca 0.22 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jaf h ALA 150 Cb 0.40 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2jaf h ALA 150 CO 0.01 0.66 0.44 0.00 0.00 0.00 0.00 179.25 180.36 2jaf h ALA 151 N 1.25 0.86 -0.25 0.00 0.00 -0.67 -1.08 119.26 119.37 2jaf h ALA 151 Ca 0.30 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 2jaf h ALA 151 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2jaf h ALA 151 CO -0.04 0.26 -0.42 0.00 0.00 0.00 0.00 179.25 179.04 2jaf h ALA 152 N 1.26 0.79 0.00 0.00 0.00 -0.99 -3.25 119.26 117.07 2jaf h ALA 152 Ca 0.25 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2jaf h ALA 152 Cb -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2jaf h ALA 152 CO -0.07 0.66 -0.24 0.52 0.00 0.00 0.00 179.25 180.12 2jaf h MET 153 N 0.50 0.00 -6.43 0.00 2.86 -0.82 -3.46 114.93 107.58 2jaf h MET 153 Ca 0.04 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.14 2jaf h MET 153 Cb 0.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 2jaf h MET 153 CO 0.08 0.00 0.73 0.99 1.06 0.00 0.00 176.91 179.77 2jaf s THR 154 N -3.16 3.78 0.00 2.22 2.01 -0.43 -4.91 115.64 115.15 2jaf s THR 154 Ca 0.08 1.22 0.00 0.00 0.31 0.00 0.00 61.69 63.30 2jaf s THR 154 Cb 0.11 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.84 2jaf s THR 154 CO 0.66 0.04 0.01 0.35 -0.69 0.00 0.00 174.62 174.99 2jaf n THR 155 N 4.33 0.00 -0.13 -0.82 -2.24 -1.26 -4.82 114.28 109.35 2jaf n THR 155 Ca 0.11 -0.40 -0.11 0.00 -2.27 0.00 0.00 64.05 61.38 2jaf n THR 155 Cb 0.44 1.00 0.01 0.00 -2.10 0.00 0.00 70.33 69.68 2jaf n THR 155 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2jaf h SER 156 N 0.00 0.97 -4.34 3.42 4.64 -1.92 -3.38 113.55 112.95 2jaf h SER 156 Ca 0.00 -0.40 -0.09 0.00 -0.47 0.00 0.00 61.79 60.83 2jaf h SER 156 Cb 0.00 -0.27 -0.22 0.00 -0.31 0.00 0.00 62.40 61.60 2jaf h SER 156 CO 0.00 1.19 -0.10 0.00 -0.87 0.00 0.00 176.83 177.04 2jaf s ALA 157 N -4.54 -1.24 0.29 5.18 0.00 -1.26 -4.86 121.76 115.34 2jaf s ALA 157 Ca -0.11 1.17 -0.01 0.00 0.00 0.00 0.00 51.96 53.01 2jaf s ALA 157 Cb 0.12 -0.49 0.47 0.00 0.00 0.00 0.00 23.12 23.21 2jaf s ALA 157 CO 0.87 -0.27 1.92 1.25 0.00 0.00 0.00 175.76 179.54 2jaf h LEU 158 N 4.62 0.96 -0.59 0.00 5.85 -1.88 -2.68 115.31 121.59 2jaf h LEU 158 Ca -0.28 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.55 2jaf h LEU 158 Cb 1.17 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.89 2jaf h LEU 158 CO 0.27 0.65 0.06 0.25 -0.34 0.00 0.00 178.44 179.32 2jaf h LEU 159 N 1.11 -0.14 -0.89 2.25 5.85 -1.96 -1.94 115.31 119.58 2jaf h LEU 159 Ca 0.37 0.13 -0.11 0.00 0.84 0.00 0.00 57.88 59.11 2jaf h LEU 159 Cb 0.07 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2jaf h LEU 159 CO -0.12 -0.06 -0.46 -0.26 -0.34 0.00 0.00 178.44 177.20 2jaf h PHE 160 N 0.18 0.25 -0.23 1.25 0.04 -1.91 -0.52 116.94 116.01 2jaf h PHE 160 Ca 0.31 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 61.00 2jaf h PHE 160 Cb 0.48 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 2jaf h PHE 160 CO -0.30 0.63 0.13 0.00 -0.60 0.00 0.00 178.31 178.17 2jaf h ARG 161 N 0.17 0.31 0.00 1.51 3.08 -1.30 -1.87 114.38 116.28 2jaf h ARG 161 Ca 0.01 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 2jaf h ARG 161 Cb 0.88 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 2jaf h ARG 161 CO 0.07 0.25 -0.53 -1.49 -1.07 0.00 0.00 179.97 177.20 2jaf h TRP 162 N 0.27 0.00 -0.49 3.04 4.06 -1.30 -2.50 115.95 119.04 2jaf h TRP 162 Ca 0.08 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.93 2jaf h TRP 162 Cb 0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.17 2jaf h TRP 162 CO -0.05 0.53 -0.09 0.00 -3.56 0.00 0.00 178.44 175.28 2jaf h ALA 163 N 1.47 0.92 -0.48 1.49 0.00 -0.85 -0.51 119.26 121.29 2jaf h ALA 163 Ca -0.01 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 2jaf h ALA 163 Cb 1.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2jaf h ALA 163 CO 0.07 0.63 -0.15 0.74 0.00 0.00 0.00 179.25 180.54 2jaf h PHE 164 N 0.80 1.02 -0.71 0.00 0.04 -1.21 -1.73 116.94 115.15 2jaf h PHE 164 Ca 0.13 -0.22 0.01 0.00 2.80 0.00 0.00 57.97 60.70 2jaf h PHE 164 Cb 0.61 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.47 2jaf h PHE 164 CO 0.04 0.99 0.47 -0.92 -0.60 0.00 0.00 178.31 178.28 2jaf h TYR 165 N 0.81 0.88 -0.44 -0.55 5.03 -1.04 0.18 116.97 121.84 2jaf h TYR 165 Ca 0.12 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.42 2jaf h TYR 165 Cb 0.69 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.65 2jaf h TYR 165 CO 0.04 0.55 0.15 0.00 -1.32 0.00 0.00 178.16 177.58 2jaf h ALA 166 N 1.27 0.58 -0.42 1.82 0.00 -0.77 -1.83 119.26 119.91 2jaf h ALA 166 Ca 0.26 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2jaf h ALA 166 Cb -0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2jaf h ALA 166 CO -0.07 0.21 -0.09 0.82 0.00 0.00 0.00 179.25 180.12 2jaf h ILE 167 N 0.57 1.25 -0.92 0.00 1.08 -0.97 -1.90 117.51 116.63 2jaf h ILE 167 Ca 0.14 -1.11 -0.01 0.00 -0.39 0.00 0.00 64.86 63.49 2jaf h ILE 167 Cb 0.24 1.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.97 2jaf h ILE 167 CO -0.01 0.38 0.54 -1.28 -0.69 0.00 0.00 178.15 177.09 2jaf h SER 168 N 0.67 1.12 -0.59 1.72 0.87 -0.74 -1.28 113.55 115.33 2jaf h SER 168 Ca 0.12 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 2jaf h SER 168 Cb 0.55 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 2jaf h SER 168 CO 0.03 0.87 0.25 0.00 -0.53 0.00 0.00 176.83 177.45 2jaf h ALA 170 N 1.37 0.82 -0.55 0.00 0.00 -0.50 -1.07 119.26 119.33 2jaf h ALA 170 Ca 0.21 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2jaf h ALA 170 Cb 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2jaf h ALA 170 CO -0.02 0.42 0.06 0.74 0.00 0.00 0.00 179.25 180.44 2jaf h PHE 171 N 0.88 0.95 -0.99 0.00 0.04 -0.89 -2.41 116.94 114.52 2jaf h PHE 171 Ca 0.21 -0.12 0.02 0.00 2.80 0.00 0.00 57.97 60.88 2jaf h PHE 171 Cb 0.17 -0.26 -0.05 0.00 2.20 0.00 0.00 35.95 38.00 2jaf h PHE 171 CO 0.01 0.83 0.66 0.35 -0.60 0.00 0.00 178.31 179.56 2jaf h PHE 172 N 0.84 1.24 -0.31 -0.55 3.57 -0.68 -1.20 116.94 119.85 2jaf h PHE 172 Ca 0.17 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 2jaf h PHE 172 Cb 0.42 -0.42 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2jaf h PHE 172 CO 0.03 0.76 -0.06 0.28 -2.23 0.00 0.00 178.31 177.09 2jaf h VAL 173 N 1.32 1.21 -0.55 1.41 2.07 -0.73 -0.46 116.25 120.52 2jaf h VAL 173 Ca 0.37 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 2jaf h VAL 173 Cb -0.12 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2jaf h VAL 173 CO -0.09 0.30 0.12 0.58 0.02 0.00 0.00 177.57 178.49 2jaf h VAL 174 N 0.48 1.25 -0.04 2.57 2.07 -0.89 -0.38 116.25 121.31 2jaf h VAL 174 Ca 0.10 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 2jaf h VAL 174 Cb 0.40 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2jaf h VAL 174 CO 0.02 0.33 0.02 0.58 0.02 0.00 0.00 177.57 178.54 2jaf h VAL 175 N 0.78 1.08 -0.29 2.57 2.07 -0.76 -2.91 116.25 118.78 2jaf h VAL 175 Ca 0.17 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 2jaf h VAL 175 Cb 0.37 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2jaf h VAL 175 CO 0.00 0.06 0.02 -0.07 0.02 0.00 0.00 177.57 177.61 2jaf h LEU 176 N -0.02 0.40 -1.36 2.57 3.38 -0.93 -2.71 115.31 116.64 2jaf h LEU 176 Ca 0.01 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.97 2jaf h LEU 176 Cb 0.08 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2jaf h LEU 176 CO -0.00 0.45 0.47 0.77 0.09 0.00 0.00 178.44 180.22 2jaf h SER 177 N 0.42 0.70 -0.41 -0.43 4.64 -0.86 -1.52 113.55 116.08 2jaf h SER 177 Ca 0.10 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.35 2jaf h SER 177 Cb 0.25 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2jaf h SER 177 CO 0.00 0.46 -0.01 0.00 -0.87 0.00 0.00 176.83 176.42 2jaf h ALA 178 N 1.60 0.56 -0.05 5.18 0.00 -1.45 -2.08 119.26 123.02 2jaf h ALA 178 Ca 0.30 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2jaf h ALA 178 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2jaf h ALA 178 CO -0.09 0.35 -0.10 -0.07 0.00 0.00 0.00 179.25 179.34 2jaf h LEU 179 N 0.57 0.07 -0.03 0.00 3.38 -1.31 -1.98 115.31 116.01 2jaf h LEU 179 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2jaf h LEU 179 Cb 0.50 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2jaf h LEU 179 CO 0.02 0.18 -0.50 1.33 0.09 0.00 0.00 178.44 179.56 2jaf n VAL 180 N -4.38 0.00 0.00 1.22 0.24 -0.82 -4.16 118.33 110.43 2jaf n VAL 180 Ca -0.02 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 2jaf n VAL 180 Cb 0.20 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.85 2jaf n VAL 180 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2jaf n THR 181 N -1.46 0.00 0.05 3.34 -2.24 -0.80 -4.87 114.28 108.31 2jaf n THR 181 Ca 0.06 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.92 2jaf n THR 181 Cb 0.34 0.00 0.51 0.00 -2.10 0.00 0.00 70.33 69.08 2jaf n THR 181 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2jaf h ASP 182 N 0.00 0.29 0.31 3.42 2.03 -1.80 -1.85 116.42 118.82 2jaf h ASP 182 Ca 0.00 -0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.22 2jaf h ASP 182 Cb 0.00 -0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 38.42 2jaf h ASP 182 CO 0.00 0.20 -0.35 -0.50 -1.03 0.00 0.00 179.24 177.57 2jaf h TRP 183 N 0.34 0.07 -0.07 4.15 4.06 -1.67 -1.12 115.95 121.71 2jaf h TRP 183 Ca 0.14 -0.01 -0.23 0.00 2.06 0.00 0.00 58.89 60.85 2jaf h TRP 183 Cb 0.15 -0.02 0.01 0.00 -1.00 0.00 0.00 29.16 28.31 2jaf h TRP 183 CO -0.00 0.40 -0.89 0.00 -3.56 0.00 0.00 178.44 174.39 2jaf h ALA 184 N 1.60 0.29 -0.12 1.49 0.00 -1.51 -2.28 119.26 118.73 2jaf h ALA 184 Ca 0.01 -0.65 -0.10 0.00 0.00 0.00 0.00 54.91 54.16 2jaf h ALA 184 Cb 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2jaf h ALA 184 CO 0.05 0.71 -0.39 0.00 0.00 0.00 0.00 179.25 179.62 2jaf h ALA 185 N 0.58 1.12 -0.28 0.00 0.00 -1.22 -2.49 119.26 116.97 2jaf h ALA 185 Ca -0.08 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 2jaf h ALA 185 Cb 1.52 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2jaf h ALA 185 CO 0.17 0.58 -0.31 0.77 0.00 0.00 0.00 179.25 180.45 2jaf h SER 186 N 0.22 0.76 -0.70 0.00 0.02 -1.16 -2.60 113.55 110.09 2jaf h SER 186 Ca 0.02 -0.48 -0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2jaf h SER 186 Cb 0.79 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 2jaf h SER 186 CO 0.06 1.09 0.43 0.00 -1.14 0.00 0.00 176.83 177.27 2jaf h ALA 187 N 0.69 1.43 -0.23 3.77 0.00 -1.24 0.88 119.26 124.56 2jaf h ALA 187 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2jaf h ALA 187 Cb 0.89 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2jaf h ALA 187 CO 0.08 0.50 0.09 1.03 0.00 0.00 0.00 179.25 180.95 2jaf h SER 188 N 0.97 0.32 1.06 0.00 0.87 -1.34 0.24 113.55 115.67 2jaf h SER 188 Ca 0.26 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2jaf h SER 188 Cb -0.05 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.83 2jaf h SER 188 CO -0.05 0.39 -0.03 0.77 -0.53 0.00 0.00 176.83 177.39 2jaf h SER 189 N 0.22 0.00 0.23 6.23 4.64 -1.03 -2.42 113.55 121.42 2jaf h SER 189 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2jaf h SER 189 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2jaf h SER 189 CO -0.01 0.03 -0.30 0.00 -0.87 0.00 0.00 176.83 175.67 2jaf n ALA 190 N -2.11 3.18 -1.27 5.18 0.00 0.26 -4.94 120.51 120.81 2jaf n ALA 190 Ca 0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 53.44 52.96 2jaf n ALA 190 Cb 0.33 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 2jaf n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jaf n GLY 191 N 1.36 0.81 0.26 0.00 0.00 0.01 -4.85 105.19 102.78 2jaf n GLY 191 Ca 0.11 -0.75 0.09 0.00 0.00 0.00 0.00 46.02 45.47 2jaf n GLY 191 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jaf n THR 192 N -2.92 2.00 -0.31 2.61 -2.24 0.65 -4.80 114.28 109.27 2jaf n THR 192 Ca -0.06 -2.48 0.01 0.00 -2.27 0.00 0.00 64.05 59.25 2jaf n THR 192 Cb 0.24 -0.24 0.20 0.00 -2.10 0.00 0.00 70.33 68.42 2jaf n THR 192 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jaf h ALA 193 N 0.35 1.42 0.17 6.98 0.00 -1.82 -1.22 119.26 125.16 2jaf h ALA 193 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2jaf h ALA 193 Cb 1.04 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2jaf h ALA 193 CO 0.02 0.48 -0.08 1.05 0.00 0.00 0.00 179.25 180.72 2jaf h GLU 194 N 1.14 -0.23 -0.16 0.00 9.09 -1.91 -0.48 114.58 122.03 2jaf h GLU 194 Ca 0.36 0.02 -0.16 0.00 0.05 0.00 0.00 59.36 59.63 2jaf h GLU 194 Cb 0.02 0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.17 2jaf h GLU 194 CO -0.11 -0.06 -0.56 0.97 0.05 0.00 0.00 179.01 179.30 2jaf h ILE 195 N -0.35 1.33 -0.32 -1.06 6.09 -1.93 -2.85 117.51 118.43 2jaf h ILE 195 Ca -0.02 -1.82 -0.01 0.00 -1.37 0.00 0.00 64.86 61.64 2jaf h ILE 195 Cb 0.27 1.81 -0.02 0.00 0.47 0.00 0.00 36.82 39.36 2jaf h ILE 195 CO 0.04 0.56 0.18 0.15 -3.07 0.00 0.00 178.15 176.01 2jaf h PHE 196 N 0.37 0.44 -0.75 2.19 3.57 -1.16 -0.53 116.94 121.07 2jaf h PHE 196 Ca 0.01 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2jaf h PHE 196 Cb 1.09 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 2jaf h PHE 196 CO 0.04 0.35 0.50 -0.44 -2.23 0.00 0.00 178.31 176.52 2jaf h ASP 197 N 0.40 0.87 -0.03 0.41 3.32 -1.04 0.37 116.42 120.71 2jaf h ASP 197 Ca 0.11 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2jaf h ASP 197 Cb 0.05 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 2jaf h ASP 197 CO -0.02 0.63 -0.01 0.74 -1.72 0.00 0.00 179.24 178.86 2jaf h THR 198 N 1.02 1.29 -0.08 0.35 2.02 -1.23 -2.92 112.91 113.36 2jaf h THR 198 Ca 0.28 -0.87 -0.07 0.00 0.77 0.00 0.00 66.41 66.51 2jaf h THR 198 Cb -0.11 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 2jaf h THR 198 CO -0.06 0.23 -0.28 -0.07 0.37 0.00 0.00 175.52 175.71 2jaf h LEU 199 N -0.28 0.13 -0.68 2.58 3.38 -0.67 -2.81 115.31 116.97 2jaf h LEU 199 Ca 0.01 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2jaf h LEU 199 Cb 0.38 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2jaf h LEU 199 CO 0.00 0.42 0.15 -0.09 0.09 0.00 0.00 178.44 179.02 2jaf h ARG 200 N 0.12 1.09 -0.57 1.13 2.43 -0.24 -1.38 114.38 116.97 2jaf h ARG 200 Ca 0.02 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 2jaf h ARG 200 Cb 0.57 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 2jaf h ARG 200 CO 0.04 0.98 0.19 0.28 -1.51 0.00 0.00 179.97 179.95 2jaf h VAL 201 N 1.02 1.23 -0.65 0.20 2.07 -1.30 -1.27 116.25 117.55 2jaf h VAL 201 Ca 0.21 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2jaf h VAL 201 Cb 0.38 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2jaf h VAL 201 CO 0.00 0.29 0.37 -0.07 0.02 0.00 0.00 177.57 178.18 2jaf h LEU 202 N 0.79 0.81 0.20 2.57 3.38 -1.30 -1.41 115.31 120.35 2jaf h LEU 202 Ca 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2jaf h LEU 202 Cb 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jaf h LEU 202 CO -0.01 0.66 -0.09 0.58 0.09 0.00 0.00 178.44 179.67 2jaf h VAL 203 N 0.89 0.89 -0.03 1.22 2.07 -1.02 -0.80 116.25 119.48 2jaf h VAL 203 Ca 0.23 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.24 2jaf h VAL 203 Cb 0.03 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2jaf h VAL 203 CO -0.04 0.12 -0.04 0.58 0.02 0.00 0.00 177.57 178.21 2jaf h VAL 204 N -0.52 0.88 -0.04 2.57 2.07 -1.16 0.18 116.25 120.22 2jaf h VAL 204 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2jaf h VAL 204 Cb 0.39 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2jaf h VAL 204 CO 0.04 0.00 -0.00 0.58 0.02 0.00 0.00 177.57 178.21 2jaf h VAL 205 N -0.06 1.26 -0.37 2.57 2.07 -1.32 -2.62 116.25 117.77 2jaf h VAL 205 Ca 0.03 -0.79 -0.12 0.00 0.82 0.00 0.00 66.70 66.64 2jaf h VAL 205 Cb 0.10 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2jaf h VAL 205 CO -0.07 0.21 -0.25 -0.07 0.02 0.00 0.00 177.57 177.42 2jaf h LEU 206 N -0.23 0.86 -1.66 2.57 3.38 -1.11 -3.01 115.31 116.11 2jaf h LEU 206 Ca 0.01 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 2jaf h LEU 206 Cb 0.34 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2jaf h LEU 206 CO 0.00 1.11 -0.13 -0.50 0.09 0.00 0.00 178.44 179.01 2jaf h TRP 207 N 0.62 0.06 0.00 1.13 4.06 -0.69 -0.71 115.95 120.42 2jaf h TRP 207 Ca 0.07 -0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.00 2jaf h TRP 207 Cb 0.81 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 28.95 2jaf h TRP 207 CO 0.06 0.18 -0.12 -0.07 -3.56 0.00 0.00 178.44 174.93 2jaf h LEU 208 N 0.06 0.00 -1.30 -4.49 3.38 -1.33 -2.73 115.31 108.90 2jaf h LEU 208 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2jaf h LEU 208 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2jaf h LEU 208 CO 0.02 0.12 -0.16 1.23 0.09 0.00 0.00 178.44 179.74 2jaf h GLY 209 N 1.25 0.30 0.91 0.83 0.00 -1.09 -3.20 103.07 102.08 2jaf h GLY 209 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 2jaf h GLY 209 CO 0.02 0.18 0.04 -0.97 0.00 0.00 0.00 176.54 175.81 2jaf h TYR 210 N 0.26 0.11 0.00 5.60 -1.99 -1.57 -1.38 116.97 118.00 2jaf h TYR 210 Ca 0.05 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 2jaf h TYR 210 Cb 0.44 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.13 2jaf h TYR 210 CO 0.01 0.17 -0.09 -1.00 -0.00 0.00 0.00 178.16 177.25 2jaf h PRO 211 N 0.01 0.00 -0.16 4.88 0.13 -1.72 -1.64 132.00 133.51 2jaf h PRO 211 Ca 0.03 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.06 2jaf h PRO 211 Cb 0.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.24 2jaf h PRO 211 CO -0.00 0.09 -0.29 0.82 -0.23 0.00 0.00 178.00 178.39 2jaf h ILE 212 N 0.00 1.36 -0.55 -3.56 2.04 -1.46 -1.60 117.51 113.73 2jaf h ILE 212 Ca -0.00 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 64.31 2jaf h ILE 212 Cb 0.47 1.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 2jaf h ILE 212 CO 0.01 0.46 0.30 0.58 0.00 0.00 0.00 178.15 179.51 2jaf h VAL 213 N 0.09 1.18 -0.27 1.67 2.07 -0.89 0.71 116.25 120.82 2jaf h VAL 213 Ca 0.01 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.07 2jaf h VAL 213 Cb 0.88 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2jaf h VAL 213 CO 0.07 0.20 0.16 -0.25 0.02 0.00 0.00 177.57 177.76 2jaf h TRP 214 N 0.74 0.29 -0.56 1.57 7.01 -1.26 0.26 115.95 124.00 2jaf h TRP 214 Ca 0.19 0.01 -0.11 0.00 2.11 0.00 0.00 58.89 61.10 2jaf h TRP 214 Cb 0.04 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 26.99 2jaf h TRP 214 CO -0.01 0.17 -0.08 0.00 -2.79 0.00 0.00 178.44 175.73 2jaf h ALA 215 N 1.12 0.80 0.05 2.65 0.00 -1.02 -2.49 119.26 120.36 2jaf h ALA 215 Ca 0.10 -0.34 -0.23 0.00 0.00 0.00 0.00 54.91 54.45 2jaf h ALA 215 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2jaf h ALA 215 CO -0.05 0.67 -1.05 0.28 0.00 0.00 0.00 179.25 179.11 2jaf h VAL 216 N 0.92 1.58 -3.12 0.00 2.07 -0.70 0.49 116.25 117.49 2jaf h VAL 216 Ca 0.15 -3.06 -0.32 0.00 0.82 0.00 0.00 66.70 64.28 2jaf h VAL 216 Cb 0.64 2.77 0.15 0.00 -1.52 0.00 0.00 31.29 33.33 2jaf h VAL 216 CO 0.04 0.89 0.16 0.61 0.02 0.00 0.00 177.57 179.29 2jaf n GLY 217 N 1.27 -2.38 0.37 2.17 0.00 0.89 -0.65 105.19 106.87 2jaf n GLY 217 Ca -0.04 -1.54 0.15 0.00 0.00 0.00 0.00 46.02 44.59 2jaf n GLY 217 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2jaf h VAL 218 N -2.26 0.81 0.00 1.61 3.04 -1.70 0.12 116.25 117.87 2jaf h VAL 218 Ca -0.33 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 2jaf h VAL 218 Cb 0.99 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 2jaf h VAL 218 CO 0.22 0.06 -0.18 -0.33 -1.01 0.00 0.00 177.57 176.33 2jaf h GLU 219 N 0.30 0.00 0.00 4.17 5.08 -1.91 -3.39 114.58 118.83 2jaf h GLU 219 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2jaf h GLU 219 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2jaf h GLU 219 CO -0.07 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.35 2jaf n GLY 220 N 1.26 0.35 0.14 -3.84 0.00 -0.67 -4.90 105.19 97.52 2jaf n GLY 220 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 2jaf n GLY 220 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jaf h LEU 221 N 0.00 0.00 -0.99 0.99 3.38 -0.02 -3.46 115.31 115.21 2jaf h LEU 221 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 2jaf h LEU 221 Cb 0.00 0.00 0.14 0.00 0.09 0.00 0.00 40.66 40.89 2jaf h LEU 221 CO 0.00 0.00 -0.70 0.00 0.09 0.00 0.00 178.44 177.83 2jaf n ALA 222 N -1.86 -1.44 0.13 1.53 0.00 0.33 -4.67 120.51 114.53 2jaf n ALA 222 Ca 0.04 0.32 -0.02 0.00 0.00 0.00 0.00 53.44 53.79 2jaf n ALA 222 Cb 0.40 -4.98 0.17 0.00 0.00 0.00 0.00 19.45 15.04 2jaf n ALA 222 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2jaf h LEU 223 N -2.57 0.05 -8.09 0.00 3.38 -1.07 -3.37 115.31 103.64 2jaf h LEU 223 Ca -0.57 -0.03 -0.67 0.00 0.09 0.00 0.00 57.88 56.70 2jaf h LEU 223 Cb 1.36 -0.01 -0.33 0.00 0.09 0.00 0.00 40.66 41.77 2jaf h LEU 223 CO 0.55 0.64 -0.74 -0.69 0.09 0.00 0.00 178.44 178.29 2jaf s VAL 224 N -3.65 2.81 -2.60 1.22 1.01 -0.70 -4.99 120.40 113.49 2jaf s VAL 224 Ca -0.02 -1.17 0.25 0.00 0.00 0.00 0.00 61.98 61.05 2jaf s VAL 224 Cb 0.13 -2.49 0.42 0.00 0.00 0.00 0.00 36.38 34.44 2jaf s VAL 224 CO 0.77 0.11 1.54 0.00 0.00 0.00 0.00 175.10 177.52 2jaf n GLN 225 N 4.63 1.95 -2.89 2.72 6.02 -1.26 -2.17 117.38 126.38 2jaf n GLN 225 Ca -0.16 -1.39 -0.42 0.00 -0.01 0.00 0.00 57.00 55.03 2jaf n GLN 225 Cb 0.46 -1.46 -0.04 0.00 1.02 0.00 0.00 30.24 30.21 2jaf n GLN 225 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2jaf s SER 226 N -1.88 6.72 0.30 1.08 0.15 -1.26 -4.83 113.70 113.98 2jaf s SER 226 Ca 0.34 0.76 0.05 0.00 0.70 0.00 0.00 55.95 57.80 2jaf s SER 226 Cb 0.20 -2.43 0.49 0.00 -1.71 0.00 0.00 66.02 62.57 2jaf s SER 226 CO 0.31 -0.64 1.76 1.62 1.20 0.00 0.00 173.24 177.49 2jaf h VAL 227 N 5.60 1.26 -0.74 4.45 3.04 -1.95 -1.70 116.25 126.20 2jaf h VAL 227 Ca -0.24 -1.23 -0.05 0.00 -1.01 0.00 0.00 66.70 64.18 2jaf h VAL 227 Cb 1.09 1.39 -0.03 0.00 -2.01 0.00 0.00 31.29 31.73 2jaf h VAL 227 CO 0.90 0.38 0.25 1.23 -1.01 0.00 0.00 177.57 179.33 2jaf h GLY 228 N 1.01 1.20 0.87 3.17 0.00 -1.92 -0.67 103.07 106.74 2jaf h GLY 228 Ca 0.05 -0.68 -0.10 0.00 0.00 0.00 0.00 47.33 46.60 2jaf h GLY 228 CO 0.05 0.64 -0.24 0.00 0.00 0.00 0.00 176.54 176.99 2jaf h ALA 229 N 1.19 0.32 -0.82 3.60 0.00 -1.81 -2.12 119.26 119.62 2jaf h ALA 229 Ca 0.24 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2jaf h ALA 229 Cb 0.27 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2jaf h ALA 229 CO -0.01 0.29 0.48 1.15 0.00 0.00 0.00 179.25 181.16 2jaf h THR 230 N 0.24 1.23 -0.43 0.00 2.02 -1.19 -1.93 112.91 112.85 2jaf h THR 230 Ca 0.03 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 2jaf h THR 230 Cb 0.80 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2jaf h THR 230 CO 0.06 0.25 0.24 -1.28 0.37 0.00 0.00 175.52 175.15 2jaf h SER 231 N 1.13 0.53 -0.43 4.18 0.87 -1.04 -2.58 113.55 116.21 2jaf h SER 231 Ca 0.29 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 2jaf h SER 231 Cb -0.03 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 2jaf h SER 231 CO -0.05 0.46 0.19 -0.50 -0.53 0.00 0.00 176.83 176.40 2jaf h TRP 232 N 0.56 0.67 -0.12 2.24 4.06 -0.98 -1.08 115.95 121.30 2jaf h TRP 232 Ca 0.15 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 61.07 2jaf h TRP 232 Cb 0.04 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 27.99 2jaf h TRP 232 CO -0.02 0.52 0.07 0.00 -3.56 0.00 0.00 178.44 175.44 2jaf h ALA 233 N 1.55 0.16 -0.73 1.49 0.00 -0.98 0.21 119.26 120.95 2jaf h ALA 233 Ca 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2jaf h ALA 233 Cb 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2jaf h ALA 233 CO -0.02 -0.31 0.36 1.88 0.00 0.00 0.00 179.25 181.17 2jaf h TYR 234 N 0.10 1.03 -0.68 0.00 0.05 -1.17 -1.52 116.97 114.78 2jaf h TYR 234 Ca 0.04 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2jaf h TYR 234 Cb 0.08 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.46 2jaf h TYR 234 CO -0.04 0.75 0.38 0.77 -1.05 0.00 0.00 178.16 178.97 2jaf h SER 235 N 1.01 0.84 -0.63 3.88 0.02 -0.85 0.54 113.55 118.37 2jaf h SER 235 Ca 0.25 -0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 2jaf h SER 235 Cb 0.10 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 2jaf h SER 235 CO -0.03 0.69 0.03 0.58 -1.14 0.00 0.00 176.83 176.96 2jaf h VAL 236 N 0.93 1.27 -0.67 2.27 2.07 -0.71 -1.86 116.25 119.55 2jaf h VAL 236 Ca 0.24 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 2jaf h VAL 236 Cb 0.03 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2jaf h VAL 236 CO -0.04 0.41 0.35 -0.07 0.02 0.00 0.00 177.57 178.24 2jaf h LEU 237 N 1.00 0.85 -1.11 2.57 3.38 -0.76 -2.43 115.31 118.82 2jaf h LEU 237 Ca 0.18 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2jaf h LEU 237 Cb 0.53 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2jaf h LEU 237 CO 0.03 0.72 0.60 0.44 0.09 0.00 0.00 178.44 180.32 2jaf h ASP 238 N 0.92 1.03 -0.59 -0.43 3.32 -0.58 0.32 116.42 120.41 2jaf h ASP 238 Ca 0.23 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.31 2jaf h ASP 238 Cb 0.07 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 2jaf h ASP 238 CO -0.03 0.74 0.33 0.58 -1.72 0.00 0.00 179.24 179.13 2jaf h VAL 239 N 1.22 0.98 0.13 -1.35 2.07 -0.85 -0.22 116.25 118.22 2jaf h VAL 239 Ca 0.34 -0.21 -0.25 0.00 0.82 0.00 0.00 66.70 67.40 2jaf h VAL 239 Cb -0.10 0.31 0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2jaf h VAL 239 CO -0.08 0.11 -1.20 -0.26 0.02 0.00 0.00 177.57 176.16 2jaf h PHE 240 N 0.62 0.50 0.00 1.57 0.04 -1.30 -0.70 116.94 117.67 2jaf h PHE 240 Ca 0.26 -0.36 -0.02 0.00 2.80 0.00 0.00 57.97 60.65 2jaf h PHE 240 Cb 0.14 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 2jaf h PHE 240 CO -0.08 1.47 -0.08 0.00 -0.60 0.00 0.00 178.31 179.01 2jaf h ALA 241 N 0.00 1.03 0.00 2.45 0.00 -0.37 -1.66 119.26 120.72 2jaf h ALA 241 Ca -0.24 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2jaf h ALA 241 Cb 1.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2jaf h ALA 241 CO 0.10 0.10 -0.16 1.63 0.00 0.00 0.00 179.25 180.92 2jaf n LYS 242 N -3.23 0.08 0.17 0.00 5.02 -0.10 -4.56 118.16 115.54 2jaf n LYS 242 Ca 0.00 0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.19 2jaf n LYS 242 Cb 0.33 -0.47 -0.08 0.00 -0.02 0.00 0.00 35.03 34.79 2jaf n LYS 242 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2jaf h TYR 243 N -0.16 -0.41 -0.49 2.13 0.05 -1.44 0.51 116.97 117.17 2jaf h TYR 243 Ca 0.00 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 2jaf h TYR 243 Cb 0.16 0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 2jaf h TYR 243 CO -0.07 -0.08 0.11 0.28 -1.05 0.00 0.00 178.16 177.35 2jaf h VAL 244 N -0.76 1.24 -0.30 -2.88 2.07 -1.24 -0.79 116.25 113.60 2jaf h VAL 244 Ca -0.04 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.66 2jaf h VAL 244 Cb 0.51 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2jaf h VAL 244 CO 0.07 0.31 0.06 0.15 0.02 0.00 0.00 177.57 178.18 2jaf h PHE 245 N 0.67 0.09 -0.57 1.57 3.04 -1.32 -0.99 116.94 119.43 2jaf h PHE 245 Ca 0.15 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.07 2jaf h PHE 245 Cb 0.34 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.83 2jaf h PHE 245 CO 0.02 0.02 0.15 0.00 -2.02 0.00 0.00 178.31 176.47 2jaf h ALA 246 N 1.23 1.18 -0.14 2.41 0.00 -0.67 -1.74 119.26 121.53 2jaf h ALA 246 Ca 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jaf h ALA 246 Cb 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2jaf h ALA 246 CO -0.19 0.56 0.07 0.35 0.00 0.00 0.00 179.25 180.04 2jaf h PHE 247 N 0.85 0.20 -0.51 0.00 3.57 -0.42 0.00 116.94 120.62 2jaf h PHE 247 Ca 0.19 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 2jaf h PHE 247 Cb 0.30 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2jaf h PHE 247 CO 0.02 0.23 0.29 0.82 -2.23 0.00 0.00 178.31 177.44 2jaf h ILE 248 N 0.11 1.17 0.04 1.41 2.04 -1.02 -0.47 117.51 120.80 2jaf h ILE 248 Ca 0.05 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 2jaf h ILE 248 Cb 0.10 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2jaf h ILE 248 CO -0.01 0.18 -0.02 0.25 0.00 0.00 0.00 178.15 178.55 2jaf h LEU 249 N 0.69 -0.05 -0.58 1.44 5.85 -1.19 -2.65 115.31 118.82 2jaf h LEU 249 Ca 0.18 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2jaf h LEU 249 Cb 0.04 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2jaf h LEU 249 CO -0.03 0.15 0.26 0.25 -0.34 0.00 0.00 178.44 178.73 2jaf h LEU 250 N -0.25 0.78 -1.04 2.25 5.85 -0.91 -2.07 115.31 119.92 2jaf h LEU 250 Ca -0.01 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.57 2jaf h LEU 250 Cb 0.23 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 2jaf h LEU 250 CO 0.01 0.72 0.64 -0.09 -0.34 0.00 0.00 178.44 179.37 2jaf h ARG 251 N 0.80 1.28 -0.23 1.25 2.43 -1.09 -0.92 114.38 117.89 2jaf h ARG 251 Ca 0.20 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2jaf h ARG 251 Cb 0.16 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2jaf h ARG 251 CO -0.02 0.85 -0.03 2.35 -1.51 0.00 0.00 179.97 181.60 2jaf h TRP 252 N 1.31 0.47 -0.99 2.20 7.01 -1.21 -2.62 115.95 122.13 2jaf h TRP 252 Ca 0.35 -0.09 0.06 0.00 2.11 0.00 0.00 58.89 61.31 2jaf h TRP 252 Cb -0.15 -0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 26.73 2jaf h TRP 252 CO 0.00 0.64 0.64 0.28 -2.79 0.00 0.00 178.44 177.21 2jaf h VAL 253 N 0.17 1.11 -0.29 2.65 2.07 -0.91 -0.97 116.25 120.09 2jaf h VAL 253 Ca 0.06 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 2jaf h VAL 253 Cb 0.47 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 2jaf h VAL 253 CO 0.02 0.22 -0.11 0.00 0.02 0.00 0.00 177.57 177.71 2jaf h ALA 254 N 1.43 1.27 -0.11 1.67 0.00 -1.04 -2.29 119.26 120.20 2jaf h ALA 254 Ca 0.42 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2jaf h ALA 254 Cb 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2jaf h ALA 254 CO -0.16 0.48 0.00 0.09 0.00 0.00 0.00 179.25 179.67 2jaf n ASN 255 N -4.21 1.82 -2.65 0.00 3.02 -0.76 -4.20 115.26 108.28 2jaf n ASN 255 Ca 0.01 -1.66 0.00 0.00 -0.03 0.00 0.00 54.58 52.90 2jaf n ASN 255 Cb 0.31 -0.06 0.05 0.00 -0.61 0.00 0.00 39.78 39.47 2jaf n ASN 255 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2jaf n ASN 256 N 0.42 1.18 -0.33 6.41 3.02 -0.44 -4.94 115.26 120.58 2jaf n ASN 256 Ca 0.17 -2.04 0.08 0.00 -0.03 0.00 0.00 54.58 52.77 2jaf n ASN 256 Cb 0.38 -0.34 0.25 0.00 -0.61 0.00 0.00 39.78 39.46 2jaf n ASN 256 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2jaf h GLU 257 N 2.24 0.76 0.05 3.52 5.08 -1.59 -2.47 114.58 122.17 2jaf h GLU 257 Ca -0.19 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.15 2jaf h GLU 257 Cb 1.35 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 2jaf h GLU 257 CO 0.13 0.50 -0.17 0.00 -1.00 0.00 0.00 179.01 178.47 2jaf h ARG 258 N 0.78 -0.29 -0.74 2.33 3.08 -1.92 0.19 114.38 117.80 2jaf h ARG 258 Ca 0.50 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.61 2jaf h ARG 258 Cb 0.65 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.71 2jaf h ARG 258 CO -0.33 -0.20 0.46 1.15 -1.07 0.00 0.00 179.97 179.98 2jaf h THR 259 N -0.30 1.07 0.03 2.04 2.02 -1.86 -0.86 112.91 115.05 2jaf h THR 259 Ca 0.04 -0.30 -0.22 0.00 0.77 0.00 0.00 66.41 66.69 2jaf h THR 259 Cb 0.35 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2jaf h THR 259 CO -0.12 0.16 -0.98 -0.37 0.37 0.00 0.00 175.52 174.57 2jaf h VAL 260 N 0.88 1.48 -0.25 3.16 -1.51 -1.31 -3.28 116.25 115.42 2jaf h VAL 260 Ca 0.31 -2.72 -0.13 0.00 -1.23 0.00 0.00 66.70 62.93 2jaf h VAL 260 Cb 0.07 2.58 -0.01 0.00 -2.13 0.00 0.00 31.29 31.80 2jaf h VAL 260 CO -0.13 0.80 -0.40 0.00 -1.23 0.00 0.00 177.57 176.60 2jaf h ALA 261 N 0.82 0.83 0.00 5.19 0.00 -0.37 -2.90 119.26 122.83 2jaf h ALA 261 Ca -0.07 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2jaf h ALA 261 Cb 1.64 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2jaf h ALA 261 CO 0.16 0.65 0.00 1.33 0.00 0.00 0.00 179.25 181.38 2jaf n VAL 262 N -4.03 0.00 1.73 0.00 0.24 -0.35 -4.79 118.33 111.13 2jaf n VAL 262 Ca -0.02 0.00 0.15 0.00 -2.04 0.00 0.00 64.34 62.43 2jaf n VAL 262 Cb 0.52 -0.23 0.72 0.00 -1.47 0.00 0.00 33.84 33.38 2jaf n VAL 262 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69