#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsa n ASN 2 N 0.00 -3.68 0.00 1.61 2.85 -1.26 -4.82 115.26 109.96 1jsa n ASN 2 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1jsa n ASN 2 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1jsa n ASN 2 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1jsa n SER 3 N -3.30 0.74 -4.26 1.20 2.88 -1.26 -5.11 113.62 104.51 1jsa n SER 3 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 1jsa n SER 3 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1jsa n SER 3 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1jsa s LYS 4 N -1.85 1.15 0.00 -1.46 1.02 -1.26 -4.99 119.74 112.35 1jsa s LYS 4 Ca 0.00 -1.56 0.00 0.00 0.02 0.00 0.00 55.97 54.43 1jsa s LYS 4 Cb 0.00 -0.34 0.00 0.00 -0.52 0.00 0.00 37.83 36.97 1jsa s LYS 4 CO 0.00 -0.12 0.24 0.43 -0.92 0.00 0.00 175.35 174.98 1jsa n SER 5 N -0.27 0.56 0.00 2.83 7.64 -1.26 -4.77 113.62 118.35 1jsa n SER 5 Ca -0.06 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 59.01 1jsa n SER 5 Cb 0.63 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1jsa n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jsa n GLY 6 N 0.40 2.00 0.00 0.23 0.00 -1.26 -3.45 105.19 103.11 1jsa n GLY 6 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1jsa n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jsa n ALA 7 N 0.00 0.00 -2.00 4.61 0.00 -1.26 -5.04 120.51 116.82 1jsa n ALA 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jsa n ALA 7 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1jsa n ALA 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1jsa n LEU 8 N 0.00 0.00 0.00 0.00 -0.00 -1.22 -5.00 117.00 110.78 1jsa n LEU 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1jsa n LEU 8 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1jsa n LEU 8 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 177.39 176.19 1jsa n SER 9 N 0.00 0.00 -0.43 1.45 7.64 -1.26 -3.26 113.62 117.75 1jsa n SER 9 Ca 0.00 0.00 0.36 0.00 1.01 0.00 0.00 58.87 60.24 1jsa n SER 9 Cb 0.00 0.00 0.64 0.00 -1.01 0.00 0.00 64.21 63.84 1jsa n SER 9 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1jsa h LYS 10 N 0.00 0.10 0.00 1.43 3.64 -1.97 2.38 116.57 122.15 1jsa h LYS 10 Ca 0.00 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 1jsa h LYS 10 Cb 0.00 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1jsa h LYS 10 CO 0.00 0.07 -1.15 0.93 -2.27 0.00 0.00 179.45 177.03 1jsa h GLU 11 N 0.10 0.00 0.06 1.90 4.39 -1.96 -3.33 114.58 115.75 1jsa h GLU 11 Ca 0.81 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.50 1jsa h GLU 11 Cb 2.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.15 1jsa h GLU 11 CO -0.42 0.56 -0.03 0.82 -1.16 0.00 0.00 179.01 178.79 1jsa h ILE 12 N 0.00 0.20 -0.64 3.13 1.08 0.32 -3.22 117.51 118.38 1jsa h ILE 12 Ca -0.11 -1.08 0.19 0.00 -0.39 0.00 0.00 64.86 63.46 1jsa h ILE 12 Cb 1.67 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 35.78 1jsa h ILE 12 CO 0.08 0.07 1.03 -0.07 -0.69 0.00 0.00 178.15 178.56 1jsa h LEU 13 N -1.01 0.00 -1.55 1.44 3.38 0.12 2.32 115.31 120.00 1jsa h LEU 13 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jsa h LEU 13 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1jsa h LEU 13 CO 0.01 0.00 0.37 -0.08 0.09 0.00 0.00 178.44 178.83 1jsa h GLU 14 N 0.00 0.00 0.00 1.13 4.22 -1.66 2.53 114.58 120.80 1jsa h GLU 14 Ca 0.31 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.75 1jsa h GLU 14 Cb 2.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.61 1jsa h GLU 14 CO -0.00 0.00 -0.19 -0.85 -2.18 0.00 0.00 179.01 175.79 1jsa n GLU 15 N -2.63 0.10 0.20 1.92 0.00 0.78 -3.93 120.64 117.08 1jsa n GLU 15 Ca -0.02 0.06 0.12 0.00 0.00 0.00 0.00 57.16 57.32 1jsa n GLU 15 Cb 0.41 -1.60 0.38 0.00 0.00 0.00 0.00 31.44 30.63 1jsa n GLU 15 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.13 178.50 1jsa h LEU 16 N 0.00 0.00 -0.51 -1.84 -0.00 0.42 0.92 115.31 114.30 1jsa h LEU 16 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.74 1jsa h LEU 16 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.24 1jsa h LEU 16 CO 0.00 0.00 -0.27 1.56 -0.00 0.00 0.00 178.44 179.73 1jsa h GLN 17 N 0.00 0.92 -6.12 0.17 4.20 -1.76 -3.39 115.11 109.14 1jsa h GLN 17 Ca 0.12 -0.42 -0.68 0.00 0.06 0.00 0.00 58.65 57.73 1jsa h GLN 17 Cb 1.75 -0.02 -0.19 0.00 0.30 0.00 0.00 27.48 29.32 1jsa h GLN 17 CO -0.00 1.08 -0.69 -0.51 -0.67 0.00 0.00 178.83 178.04 1jsa s LEU 18 N -8.96 3.18 -1.14 1.46 1.43 0.32 -4.67 118.68 110.30 1jsa s LEU 18 Ca -0.11 -0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 52.92 1jsa s LEU 18 Cb 0.12 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1jsa s LEU 18 CO 0.87 0.36 0.88 -3.20 0.23 0.00 0.00 176.35 175.49 1jsa n ASN 19 N 2.25 -4.43 0.00 2.29 2.85 -1.26 -4.73 115.26 112.23 1jsa n ASN 19 Ca -0.18 -0.75 0.00 0.00 -0.11 0.00 0.00 54.58 53.54 1jsa n ASN 19 Cb 0.53 -4.73 0.00 0.00 1.24 0.00 0.00 39.78 36.82 1jsa n ASN 19 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1jsa n THR 20 N -3.76 0.00 0.00 -0.44 -2.24 -1.26 -4.69 114.28 101.88 1jsa n THR 20 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1jsa n THR 20 Cb 0.64 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1jsa n THR 20 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1jsa n LYS 21 N 7.87 2.27 -2.70 -0.78 -0.00 -1.26 -4.09 118.16 119.47 1jsa n LYS 21 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 1jsa n LYS 21 Cb 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 35.03 34.81 1jsa n LYS 21 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1jsa n PHE 22 N -0.08 -3.65 -1.55 5.58 7.35 -1.26 -4.50 117.46 119.36 1jsa n PHE 22 Ca 0.00 1.57 0.00 0.00 -0.76 0.00 0.00 57.45 58.26 1jsa n PHE 22 Cb 0.00 -3.93 0.00 0.00 0.35 0.00 0.00 39.48 35.90 1jsa n PHE 22 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1jsa n THR 23 N 0.33 -0.72 -0.32 -2.13 -2.24 -1.26 -4.57 114.28 103.37 1jsa n THR 23 Ca 0.04 0.14 0.35 0.00 -2.27 0.00 0.00 64.05 62.31 1jsa n THR 23 Cb 0.15 -1.22 0.75 0.00 -2.10 0.00 0.00 70.33 67.92 1jsa n THR 23 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1jsa h GLU 24 N 2.52 0.00 -0.92 -0.78 4.11 -2.03 0.44 114.58 117.92 1jsa h GLU 24 Ca 0.00 -0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.47 1jsa h GLU 24 Cb 0.29 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1jsa h GLU 24 CO 0.00 0.00 0.60 1.49 0.07 0.00 0.00 179.01 181.17 1jsa h GLU 25 N 0.00 1.08 -0.50 1.06 4.22 -1.96 -2.44 114.58 116.04 1jsa h GLU 25 Ca 0.56 -0.07 0.10 0.00 0.08 0.00 0.00 59.36 60.03 1jsa h GLU 25 Cb 2.24 -0.24 -0.09 0.00 0.50 0.00 0.00 28.75 31.16 1jsa h GLU 25 CO -0.01 0.72 -0.02 1.49 -2.18 0.00 0.00 179.01 179.01 1jsa h GLU 26 N 1.12 0.09 0.00 1.92 4.57 -0.36 0.51 114.58 122.42 1jsa h GLU 26 Ca 0.37 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.55 1jsa h GLU 26 Cb 0.07 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1jsa h GLU 26 CO -0.12 0.06 0.02 1.28 -1.18 0.00 0.00 179.01 179.07 1jsa n LEU 27 N -5.26 0.00 -0.06 1.64 4.32 -0.92 -0.66 117.00 116.06 1jsa n LEU 27 Ca 0.05 0.35 -0.04 0.00 -0.02 0.00 0.00 56.01 56.35 1jsa n LEU 27 Cb 0.27 -0.35 -0.02 0.00 -1.62 0.00 0.00 43.42 41.70 1jsa n LEU 27 CO 0.14 -0.35 -0.16 0.77 -1.22 0.00 0.00 177.39 176.58 1jsa h SER 28 N 0.00 0.00 0.66 -1.43 4.64 -0.04 -3.35 113.55 114.02 1jsa h SER 28 Ca 0.00 -0.10 -0.25 0.00 -0.47 0.00 0.00 61.79 60.96 1jsa h SER 28 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1jsa h SER 28 CO 0.00 0.71 -1.14 0.28 -0.87 0.00 0.00 176.83 175.81 1jsa h SER 29 N -1.00 0.35 -1.02 4.97 0.02 -1.46 -3.26 113.55 112.15 1jsa h SER 29 Ca -0.02 -0.35 0.25 0.00 -0.84 0.00 0.00 61.79 60.82 1jsa h SER 29 Cb 0.38 -0.11 -0.10 0.00 0.14 0.00 0.00 62.40 62.71 1jsa h SER 29 CO -0.01 1.25 0.64 -0.25 -1.14 0.00 0.00 176.83 177.32 1jsa h TRP 30 N 0.08 0.75 0.64 3.45 7.01 -1.10 0.13 115.95 126.91 1jsa h TRP 30 Ca -0.10 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.89 1jsa h TRP 30 Cb 1.86 -0.22 0.01 0.00 -2.10 0.00 0.00 29.16 28.70 1jsa h TRP 30 CO 0.05 0.10 -0.31 -0.92 -2.79 0.00 0.00 178.44 174.57 1jsa h TYR 31 N 0.47 -0.79 0.32 2.65 3.20 -1.70 -2.33 116.97 118.80 1jsa h TYR 31 Ca 0.59 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.42 1jsa h TYR 31 Cb 1.34 0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.88 1jsa h TYR 31 CO -0.00 -0.49 -0.16 0.37 -1.64 0.00 0.00 178.16 176.24 1jsa h GLN 32 N -0.89 -0.42 -1.22 1.82 4.15 -1.55 -1.46 115.11 115.54 1jsa h GLN 32 Ca -0.09 0.03 0.37 0.00 0.77 0.00 0.00 58.65 59.73 1jsa h GLN 32 Cb 0.66 0.10 -0.11 0.00 0.21 0.00 0.00 27.48 28.33 1jsa h GLN 32 CO 0.14 -0.28 0.80 0.77 -1.93 0.00 0.00 178.83 178.34 1jsa h SER 33 N -0.44 0.29 0.10 -0.69 0.02 -0.83 0.77 113.55 112.78 1jsa h SER 33 Ca -0.04 0.10 -0.27 0.00 -0.84 0.00 0.00 61.79 60.74 1jsa h SER 33 Cb 0.34 0.07 0.02 0.00 0.14 0.00 0.00 62.40 62.97 1jsa h SER 33 CO 0.07 -0.06 -1.09 0.15 -1.14 0.00 0.00 176.83 174.76 1jsa h PHE 34 N 0.19 0.97 -0.00 3.45 3.57 -0.82 -2.87 116.94 121.43 1jsa h PHE 34 Ca 0.72 -0.55 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1jsa h PHE 34 Cb 2.18 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 40.82 1jsa h PHE 34 CO -0.00 1.39 0.00 -0.07 -2.23 0.00 0.00 178.31 177.40 1jsa h LEU 35 N 0.34 0.00 0.08 0.59 3.38 0.15 -1.35 115.31 118.50 1jsa h LEU 35 Ca -0.14 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.62 1jsa h LEU 35 Cb 1.75 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.52 1jsa h LEU 35 CO 0.21 0.00 -0.87 0.11 0.09 0.00 0.00 178.44 177.98 1jsa h LYS 36 N 0.00 0.45 0.00 1.13 1.57 -0.96 -2.79 116.57 115.97 1jsa h LYS 36 Ca 0.00 -0.59 -0.00 0.00 -1.87 0.00 0.00 60.65 58.19 1jsa h LYS 36 Cb 0.00 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1jsa h LYS 36 CO -0.00 1.24 -0.00 1.49 -0.57 0.00 0.00 179.45 181.60 1jsa h GLU 37 N -0.06 0.00 -0.33 3.15 4.81 -1.05 -3.41 114.58 117.69 1jsa h GLU 37 Ca -0.13 0.00 0.24 0.00 -0.13 0.00 0.00 59.36 59.34 1jsa h GLU 37 Cb 1.61 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.76 1jsa h GLU 37 CO 0.17 0.00 0.26 0.00 -0.73 0.00 0.00 179.01 178.71 1jsa n PRO 39 N 5.22 0.00 -2.93 0.00 -0.02 -1.06 -4.46 135.00 131.75 1jsa n PRO 39 Ca -0.08 0.19 -0.40 0.00 -2.02 0.00 0.00 63.50 61.19 1jsa n PRO 39 Cb 0.54 -1.52 -0.05 0.00 -0.02 0.00 0.00 33.50 32.45 1jsa n PRO 39 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1jsa s SER 40 N -2.32 7.21 0.06 2.55 0.01 -1.26 -4.94 113.70 115.01 1jsa s SER 40 Ca 0.00 1.46 0.23 0.00 1.31 0.00 0.00 55.95 58.94 1jsa s SER 40 Cb 0.00 -2.48 0.03 0.00 0.21 0.00 0.00 66.02 63.78 1jsa s SER 40 CO 0.00 -0.07 1.01 0.61 0.41 0.00 0.00 173.24 175.20 1jsa n GLY 41 N 2.62 -1.22 3.66 3.44 0.00 -1.26 -4.85 105.19 107.58 1jsa n GLY 41 Ca -0.00 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 1jsa n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jsa s ARG 42 N -3.22 4.13 -0.20 1.61 1.81 -1.26 -4.19 118.95 117.63 1jsa s ARG 42 Ca 0.03 0.07 -0.11 0.00 -1.72 0.00 0.00 55.73 54.00 1jsa s ARG 42 Cb 0.14 -3.55 -0.05 0.00 -0.45 0.00 0.00 34.95 31.04 1jsa s ARG 42 CO 0.80 -0.05 0.18 0.42 -0.68 0.00 0.00 175.30 175.98 1jsa s ILE 43 N 1.35 5.37 0.80 1.52 1.01 -0.89 -4.92 121.20 125.44 1jsa s ILE 43 Ca 0.16 0.29 -0.04 0.00 0.00 0.00 0.00 60.65 61.06 1jsa s ILE 43 Cb -0.15 -3.52 0.17 0.00 0.01 0.00 0.00 42.46 38.97 1jsa s ILE 43 CO 0.07 0.40 1.10 0.35 0.00 0.00 0.00 174.94 176.86 1jsa n THR 44 N 3.72 0.00 0.00 2.92 -2.24 -1.26 -2.67 114.28 114.75 1jsa n THR 44 Ca -0.15 -1.49 -0.00 0.00 -2.27 0.00 0.00 64.05 60.15 1jsa n THR 44 Cb 0.52 -1.01 -0.00 0.00 -2.10 0.00 0.00 70.33 67.74 1jsa n THR 44 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1jsa h ARG 45 N 0.00 -0.02 -1.41 -0.78 2.43 -1.98 -1.61 114.38 111.00 1jsa h ARG 45 Ca -0.36 0.00 0.41 0.00 -0.81 0.00 0.00 59.98 59.22 1jsa h ARG 45 Cb 1.24 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.74 1jsa h ARG 45 CO 0.35 -0.01 1.19 1.96 -1.51 0.00 0.00 179.97 181.95 1jsa h GLN 46 N -0.13 0.00 0.05 0.20 4.20 -2.00 1.35 115.11 118.77 1jsa h GLN 46 Ca -0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.42 1jsa h GLN 46 Cb 0.02 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1jsa h GLN 46 CO 0.00 0.00 -1.56 1.49 -0.67 0.00 0.00 178.83 178.09 1jsa h GLU 47 N 0.00 0.11 -0.52 1.46 4.81 -1.97 -3.32 114.58 115.15 1jsa h GLU 47 Ca 0.67 -0.20 0.15 0.00 -0.13 0.00 0.00 59.36 59.86 1jsa h GLU 47 Cb 3.04 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 32.47 1jsa h GLU 47 CO -0.01 0.87 0.94 0.35 -0.73 0.00 0.00 179.01 180.43 1jsa h PHE 48 N 0.03 0.00 0.00 0.92 3.04 0.28 2.18 116.94 123.40 1jsa h PHE 48 Ca -0.24 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.71 1jsa h PHE 48 Cb 1.98 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.49 1jsa h PHE 48 CO 0.03 0.00 0.00 1.04 -2.02 0.00 0.00 178.31 177.36 1jsa n GLN 49 N -3.06 0.21 0.12 1.11 6.02 -1.23 -3.19 117.38 117.36 1jsa n GLN 49 Ca 0.11 0.24 -0.00 0.00 -0.01 0.00 0.00 57.00 57.35 1jsa n GLN 49 Cb 1.11 -1.78 0.03 0.00 1.02 0.00 0.00 30.24 30.62 1jsa n GLN 49 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 1jsa h THR 50 N 0.00 1.14 0.00 5.09 2.02 0.34 -3.17 112.91 118.33 1jsa h THR 50 Ca 0.00 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.70 1jsa h THR 50 Cb 0.61 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 69.49 1jsa h THR 50 CO 0.00 0.62 -0.12 0.40 0.37 0.00 0.00 175.52 176.80 1jsa h ILE 51 N 0.00 0.00 0.00 3.11 2.04 -1.64 -3.34 117.51 117.68 1jsa h ILE 51 Ca -0.01 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1jsa h ILE 51 Cb 1.42 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1jsa h ILE 51 CO 0.08 0.00 0.31 0.00 0.00 0.00 0.00 178.15 178.55 1jsa n TYR 52 N -2.91 0.11 0.10 1.37 9.36 -1.20 0.07 117.16 124.07 1jsa n TYR 52 Ca -0.02 0.06 -0.23 0.00 3.32 0.00 0.00 57.90 61.03 1jsa n TYR 52 Cb 0.06 -0.32 -0.14 0.00 -0.63 0.00 0.00 39.34 38.31 1jsa n TYR 52 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1jsa h SER 53 N 0.00 0.82 -1.48 2.98 4.64 -1.68 -3.23 113.55 115.59 1jsa h SER 53 Ca 0.00 -0.86 0.43 0.00 -0.47 0.00 0.00 61.79 60.89 1jsa h SER 53 Cb 0.63 -0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 62.40 1jsa h SER 53 CO 0.00 1.61 1.08 0.50 -0.87 0.00 0.00 176.83 179.15 1jsa h LYS 54 N 0.16 0.00 0.00 4.77 3.64 -0.48 -3.40 116.57 121.25 1jsa h LYS 54 Ca -0.20 0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 58.73 1jsa h LYS 54 Cb 1.94 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 33.80 1jsa h LYS 54 CO 0.24 0.00 -0.02 1.19 -2.27 0.00 0.00 179.45 178.58 1jsa n PHE 55 N -4.04 -2.49 -3.81 1.91 3.01 -1.22 -4.66 117.46 106.17 1jsa n PHE 55 Ca 0.33 -1.89 -0.33 0.00 1.01 0.00 0.00 57.45 56.57 1jsa n PHE 55 Cb 1.55 -0.55 0.03 0.00 -0.01 0.00 0.00 39.48 40.50 1jsa n PHE 55 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1jsa n PHE 56 N -2.31 -1.77 0.76 1.38 3.72 -1.26 -4.77 117.46 113.22 1jsa n PHE 56 Ca 0.15 0.46 0.03 0.00 -0.05 0.00 0.00 57.45 58.04 1jsa n PHE 56 Cb 0.55 -3.40 0.21 0.00 -0.94 0.00 0.00 39.48 35.90 1jsa n PHE 56 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1jsa n PRO 57 N -4.37 0.38 0.00 -1.08 -0.04 -1.26 -3.77 135.00 124.86 1jsa n PRO 57 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1jsa n PRO 57 Cb 0.61 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 1jsa n PRO 57 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1jsa n GLU 58 N -0.78 0.00 0.00 0.54 1.02 -1.26 -5.03 120.64 115.13 1jsa n GLU 58 Ca 0.05 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1jsa n GLU 58 Cb 0.02 -0.36 0.00 0.00 -0.02 0.00 0.00 31.44 31.09 1jsa n GLU 58 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jsa n ALA 59 N -1.56 0.00 -3.16 0.62 0.00 -1.25 -4.96 120.51 110.21 1jsa n ALA 59 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1jsa n ALA 59 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1jsa n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jsa n ASP 60 N 0.00 0.03 -0.69 0.00 8.00 -1.23 -4.95 116.55 117.71 1jsa n ASP 60 Ca 0.00 -2.75 0.00 0.00 0.71 0.00 0.00 54.79 52.75 1jsa n ASP 60 Cb 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 1jsa n ASP 60 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1jsa n PRO 61 N 1.36 0.26 -0.05 -0.24 -0.05 -1.26 -3.95 135.00 131.07 1jsa n PRO 61 Ca 0.21 0.00 -0.08 0.00 -0.05 0.00 0.00 63.50 63.57 1jsa n PRO 61 Cb 0.54 -1.22 -0.02 0.00 -0.05 0.00 0.00 33.50 32.75 1jsa n PRO 61 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 175.50 175.23 1jsa h LYS 62 N 1.02 0.01 0.00 0.54 3.64 -1.94 0.59 116.57 120.44 1jsa h LYS 62 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jsa h LYS 62 Cb 0.18 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1jsa h LYS 62 CO 0.00 0.01 0.00 0.00 -2.27 0.00 0.00 179.45 177.19 1jsa h ALA 63 N 1.21 1.00 0.00 5.00 0.00 -1.92 -2.75 119.26 121.80 1jsa h ALA 63 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1jsa h ALA 63 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1jsa h ALA 63 CO -0.21 0.00 -1.02 -0.92 0.00 0.00 0.00 179.25 177.10 1jsa h TYR 64 N 0.00 0.00 0.00 0.00 5.03 -1.36 -3.32 116.97 117.31 1jsa h TYR 64 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1jsa h TYR 64 Cb 0.54 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.82 1jsa h TYR 64 CO 0.00 0.03 0.00 0.00 -1.32 0.00 0.00 178.16 176.87 1jsa h ALA 65 N 1.97 1.00 0.00 1.82 0.00 0.43 -2.73 119.26 121.74 1jsa h ALA 65 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jsa h ALA 65 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1jsa h ALA 65 CO 0.00 0.00 -0.33 1.04 0.00 0.00 0.00 179.25 179.96 1jsa n GLN 66 N -3.02 0.17 0.06 0.00 6.02 -1.23 -3.72 117.38 115.66 1jsa n GLN 66 Ca 0.02 0.08 -0.16 0.00 -0.01 0.00 0.00 57.00 56.94 1jsa n GLN 66 Cb 0.39 -1.64 -0.14 0.00 1.02 0.00 0.00 30.24 29.86 1jsa n GLN 66 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1jsa h HIS 67 N 0.00 0.40 0.00 1.08 3.86 -1.64 -3.26 115.15 115.59 1jsa h HIS 67 Ca 0.00 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 1jsa h HIS 67 Cb 0.65 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.10 1jsa h HIS 67 CO 0.00 1.34 0.01 0.28 0.86 0.00 0.00 177.93 180.43 1jsa n VAL 68 N -3.42 1.88 0.00 2.45 0.31 -1.21 -3.36 118.33 114.98 1jsa n VAL 68 Ca -0.16 0.48 0.00 0.00 -0.01 0.00 0.00 64.34 64.66 1jsa n VAL 68 Cb 1.04 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 1jsa n VAL 68 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1jsa n PHE 69 N -1.47 0.00 0.32 3.52 7.35 -1.23 -3.13 117.46 122.82 1jsa n PHE 69 Ca 0.00 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.75 1jsa n PHE 69 Cb 0.01 0.00 0.31 0.00 0.35 0.00 0.00 39.48 40.15 1jsa n PHE 69 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1jsa h ARG 70 N 0.00 0.00 -0.88 -4.13 3.08 -1.79 0.72 114.38 111.38 1jsa h ARG 70 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1jsa h ARG 70 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1jsa h ARG 70 CO 0.00 0.00 0.58 0.66 -1.07 0.00 0.00 179.97 180.14 1jsa h SER 71 N 0.00 0.93 -0.50 7.04 4.64 -1.55 -3.30 113.55 120.81 1jsa h SER 71 Ca 0.00 -0.01 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 1jsa h SER 71 Cb 1.46 -0.21 -0.33 0.00 -0.31 0.00 0.00 62.40 63.00 1jsa h SER 71 CO 0.00 0.63 -0.93 0.33 -0.87 0.00 0.00 176.83 175.99 1jsa n PHE 72 N -4.46 0.29 -2.14 4.77 7.35 0.24 -4.29 117.46 119.23 1jsa n PHE 72 Ca 0.12 -2.26 -0.02 0.00 -0.76 0.00 0.00 57.45 54.53 1jsa n PHE 72 Cb 0.13 0.20 -0.02 0.00 0.35 0.00 0.00 39.48 40.14 1jsa n PHE 72 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1jsa n ASP 73 N -0.57 -0.15 -0.95 -2.13 2.03 -0.65 -4.87 116.55 109.25 1jsa n ASP 73 Ca 0.03 -1.82 0.11 0.00 0.52 0.00 0.00 54.79 53.64 1jsa n ASP 73 Cb 0.82 0.02 0.26 0.00 -0.72 0.00 0.00 41.12 41.51 1jsa n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jsa n ALA 74 N 0.14 2.45 -0.53 -1.67 0.00 -1.26 -4.25 120.51 115.39 1jsa n ALA 74 Ca -0.10 -0.83 -0.08 0.00 0.00 0.00 0.00 53.44 52.43 1jsa n ALA 74 Cb 0.79 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 19.22 1jsa n ALA 74 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jsa n ASN 75 N 1.11 2.91 -4.40 0.00 6.94 -1.26 -4.54 115.26 116.01 1jsa n ASN 75 Ca 0.18 -2.04 -0.36 0.00 -0.02 0.00 0.00 54.58 52.34 1jsa n ASN 75 Cb 0.52 -0.76 -0.09 0.00 -2.36 0.00 0.00 39.78 37.09 1jsa n ASN 75 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1jsa n SER 76 N 2.98 -0.44 -0.08 0.53 3.41 -1.26 -4.80 113.62 113.96 1jsa n SER 76 Ca 0.24 -1.25 -0.17 0.00 -0.26 0.00 0.00 58.87 57.44 1jsa n SER 76 Cb 0.41 -1.70 -0.06 0.00 -0.26 0.00 0.00 64.21 62.60 1jsa n SER 76 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jsa n ASP 77 N -2.70 1.56 0.00 4.04 -0.08 -1.26 -5.00 116.55 113.10 1jsa n ASP 77 Ca -0.12 0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1jsa n ASP 77 Cb 0.59 -0.44 0.00 0.00 2.34 0.00 0.00 41.12 43.60 1jsa n ASP 77 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jsa n GLY 78 N 2.12 2.52 3.15 0.27 0.00 -1.26 -4.98 105.19 107.01 1jsa n GLY 78 Ca -0.32 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 1jsa n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jsa s THR 79 N -2.19 0.14 -0.22 2.61 -4.23 -1.26 -4.87 115.64 105.62 1jsa s THR 79 Ca 0.00 -1.11 -0.11 0.00 -1.18 0.00 0.00 61.69 59.28 1jsa s THR 79 Cb 0.00 -1.03 -0.05 0.00 1.34 0.00 0.00 72.50 72.77 1jsa s THR 79 CO 0.00 -0.61 0.19 -0.76 -0.54 0.00 0.00 174.62 172.90 1jsa s LEU 80 N -2.31 4.16 0.26 4.79 1.43 -1.09 -4.88 118.68 121.04 1jsa s LEU 80 Ca -0.02 0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 1jsa s LEU 80 Cb 0.01 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 1jsa s LEU 80 CO -0.06 0.09 0.38 -0.62 0.23 0.00 0.00 176.35 176.37 1jsa s ASP 81 N 0.78 6.29 0.00 2.29 2.15 -1.26 -2.10 116.67 124.82 1jsa s ASP 81 Ca 0.10 0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.16 1jsa s ASP 81 Cb -0.13 -1.82 0.00 0.00 -0.30 0.00 0.00 42.92 40.67 1jsa s ASP 81 CO 0.03 -0.12 0.94 0.33 -0.17 0.00 0.00 175.17 176.18 1jsa n PHE 82 N -1.46 0.00 -0.29 -5.34 7.35 -1.26 0.17 117.46 116.64 1jsa n PHE 82 Ca -0.08 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.80 1jsa n PHE 82 Cb 0.57 -0.44 0.36 0.00 0.35 0.00 0.00 39.48 40.32 1jsa n PHE 82 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1jsa n LYS 83 N -2.45 -0.06 -0.04 -4.13 0.00 -1.26 0.19 118.16 110.41 1jsa n LYS 83 Ca 0.00 1.24 -0.13 0.00 0.00 0.00 0.00 58.31 59.41 1jsa n LYS 83 Cb 0.00 -2.07 -0.08 0.00 0.00 0.00 0.00 35.03 32.88 1jsa n LYS 83 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1jsa h GLU 84 N 0.00 0.24 -0.85 1.64 4.81 -1.50 -2.94 114.58 115.98 1jsa h GLU 84 Ca 0.60 -0.13 0.20 0.00 -0.13 0.00 0.00 59.36 59.90 1jsa h GLU 84 Cb 1.43 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.76 1jsa h GLU 84 CO -0.74 0.67 0.57 -0.92 -0.73 0.00 0.00 179.01 177.86 1jsa h TYR 85 N -0.18 0.42 0.92 0.92 3.20 1.21 -1.63 116.97 121.83 1jsa h TYR 85 Ca 0.01 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1jsa h TYR 85 Cb 0.63 -0.13 0.01 0.00 1.54 0.00 0.00 36.73 38.78 1jsa h TYR 85 CO 0.09 0.12 -0.44 0.28 -1.64 0.00 0.00 178.16 176.57 1jsa h VAL 86 N 0.32 0.03 -0.99 1.81 2.07 -0.51 0.54 116.25 119.52 1jsa h VAL 86 Ca 0.43 -0.08 0.35 0.00 0.82 0.00 0.00 66.70 68.22 1jsa h VAL 86 Cb 1.18 0.03 -0.18 0.00 -1.52 0.00 0.00 31.29 30.80 1jsa h VAL 86 CO -0.13 0.00 0.32 0.40 0.02 0.00 0.00 177.57 178.18 1jsa h ILE 87 N -1.31 0.03 0.00 4.57 1.08 -1.25 2.17 117.51 122.80 1jsa h ILE 87 Ca -0.13 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1jsa h ILE 87 Cb 0.95 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.70 1jsa h ILE 87 CO 0.21 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.67 1jsa n ALA 88 N -2.64 -0.17 0.27 1.87 0.00 -1.03 -0.80 120.51 118.01 1jsa n ALA 88 Ca 0.31 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.90 1jsa n ALA 88 Cb 1.04 0.00 0.66 0.00 0.00 0.00 0.00 19.45 21.15 1jsa n ALA 88 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1jsa h LEU 89 N 0.00 0.00 0.00 0.00 -0.00 -0.27 -1.31 115.31 113.73 1jsa h LEU 89 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1jsa h LEU 89 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1jsa h LEU 89 CO 0.00 0.00 -0.05 -0.74 -0.00 0.00 0.00 178.44 177.65 1jsa h HIS 90 N 0.00 0.00 -1.84 1.13 2.76 0.36 -3.31 115.15 114.25 1jsa h HIS 90 Ca 0.06 0.00 0.55 0.00 -2.20 0.00 0.00 60.37 58.78 1jsa h HIS 90 Cb 1.05 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 29.92 1jsa h HIS 90 CO 0.00 0.09 1.30 -1.33 -1.30 0.00 0.00 177.93 176.69 1jsa n MET 91 N -4.75 -0.01 -2.96 5.26 2.81 0.02 -2.70 117.12 114.79 1jsa n MET 91 Ca -0.02 1.12 -0.40 0.00 -1.81 0.00 0.00 57.70 56.59 1jsa n MET 91 Cb 0.06 -2.48 -0.04 0.00 -0.71 0.00 0.00 33.22 30.05 1jsa n MET 91 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1jsa s THR 92 N -4.93 4.99 0.00 2.03 2.01 -1.10 -4.08 115.64 114.56 1jsa s THR 92 Ca -0.05 1.59 0.00 0.00 0.31 0.00 0.00 61.69 63.54 1jsa s THR 92 Cb 0.28 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.68 1jsa s THR 92 CO 0.87 0.21 0.00 -1.54 -0.69 0.00 0.00 174.62 173.47 1jsa n SER 93 N 3.94 0.00 -0.15 3.53 3.41 -1.26 -4.71 113.62 118.38 1jsa n SER 93 Ca 0.01 0.00 0.26 0.00 -0.26 0.00 0.00 58.87 58.88 1jsa n SER 93 Cb 0.51 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.95 1jsa n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jsa h ALA 94 N 0.00 2.79 -3.00 7.33 0.00 -1.66 -3.43 119.26 121.29 1jsa h ALA 94 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jsa h ALA 94 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jsa h ALA 94 CO 0.00 -1.53 0.00 0.41 0.00 0.00 0.00 179.25 178.13 1jsa n GLY 95 N -1.67 2.22 0.00 0.00 0.00 -1.26 -4.54 105.19 99.93 1jsa n GLY 95 Ca 0.20 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1jsa n GLY 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jsa n LYS 96 N 0.00 0.48 0.00 1.61 0.00 -1.26 -5.03 118.16 113.97 1jsa n LYS 96 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1jsa n LYS 96 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 35.03 34.99 1jsa n LYS 96 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1jsa n THR 97 N 0.00 0.00 1.40 3.15 -2.24 -1.26 -4.87 114.28 110.46 1jsa n THR 97 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 1jsa n THR 97 Cb 0.00 -0.08 0.52 0.00 -2.10 0.00 0.00 70.33 68.66 1jsa n THR 97 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1jsa n ASN 98 N -1.30 0.89 -0.37 3.42 0.23 -1.26 -4.10 115.26 112.78 1jsa n ASN 98 Ca 0.00 -0.93 0.37 0.00 -0.53 0.00 0.00 54.58 53.49 1jsa n ASN 98 Cb 0.00 0.03 0.69 0.00 -2.08 0.00 0.00 39.78 38.42 1jsa n ASN 98 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1jsa h GLN 99 N 1.19 0.00 -4.35 -3.83 4.20 -2.02 -3.26 115.11 107.04 1jsa h GLN 99 Ca 0.00 0.00 -0.73 0.00 0.06 0.00 0.00 58.65 57.98 1jsa h GLN 99 Cb 0.43 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 27.97 1jsa h GLN 99 CO 0.00 0.00 -0.37 0.21 -0.67 0.00 0.00 178.83 178.00 1jsa s LYS 100 N -4.74 2.90 0.00 1.46 2.20 -1.26 -4.75 119.74 115.54 1jsa s LYS 100 Ca -0.04 -1.36 0.00 0.00 -0.36 0.00 0.00 55.97 54.21 1jsa s LYS 100 Cb 0.21 -4.04 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 1jsa s LYS 100 CO 0.71 -0.99 0.00 1.28 -0.36 0.00 0.00 175.35 175.99 1jsa n LEU 101 N 5.14 0.00 -0.48 5.43 4.77 -1.23 -4.88 117.00 125.74 1jsa n LEU 101 Ca -0.12 0.00 0.39 0.00 -0.03 0.00 0.00 56.01 56.25 1jsa n LEU 101 Cb 0.44 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 42.15 1jsa n LEU 101 CO 0.45 0.00 1.13 1.21 -1.33 0.00 0.00 177.39 178.85 1jsa n GLU 102 N 0.00 -0.02 0.18 3.23 0.00 -1.26 0.23 120.64 123.00 1jsa n GLU 102 Ca 0.00 1.03 0.05 0.00 0.00 0.00 0.00 57.16 58.24 1jsa n GLU 102 Cb 0.00 -2.14 0.49 0.00 0.00 0.00 0.00 31.44 29.79 1jsa n GLU 102 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.13 175.64 1jsa h TRP 103 N 0.00 0.13 0.00 4.31 6.55 -1.93 -2.07 115.95 122.94 1jsa h TRP 103 Ca 0.78 -0.01 -0.03 0.00 0.95 0.00 0.00 58.89 60.58 1jsa h TRP 103 Cb 2.72 -0.04 -0.00 0.00 -0.86 0.00 0.00 29.16 30.98 1jsa h TRP 103 CO -0.00 0.22 -0.16 0.00 -1.05 0.00 0.00 178.44 177.44 1jsa h ALA 104 N 1.80 1.08 0.00 1.49 0.00 0.26 -2.81 119.26 121.08 1jsa h ALA 104 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1jsa h ALA 104 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1jsa h ALA 104 CO 0.01 0.20 0.00 0.35 0.00 0.00 0.00 179.25 179.81 1jsa h PHE 105 N 0.00 0.00 0.09 0.00 3.04 -1.43 -1.98 116.94 116.66 1jsa h PHE 105 Ca -0.00 0.00 -0.25 0.00 3.98 0.00 0.00 57.97 61.70 1jsa h PHE 105 Cb 0.58 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.09 1jsa h PHE 105 CO 0.00 0.00 -1.15 0.77 -2.02 0.00 0.00 178.31 175.91 1jsa h SER 106 N 0.00 0.31 0.53 0.41 0.02 -1.66 -3.18 113.55 109.99 1jsa h SER 106 Ca 0.00 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.60 1jsa h SER 106 Cb 0.09 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.53 1jsa h SER 106 CO 0.00 1.24 -0.25 0.25 -1.14 0.00 0.00 176.83 176.93 1jsa h LEU 107 N 0.06 -0.60 -1.47 5.07 6.46 -1.53 -2.91 115.31 120.39 1jsa h LEU 107 Ca -0.10 -0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.71 1jsa h LEU 107 Cb 1.89 0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 41.93 1jsa h LEU 107 CO 0.18 -0.38 0.43 1.88 -0.62 0.00 0.00 178.44 179.93 1jsa h TYR 108 N -0.79 0.65 0.00 1.25 -1.99 -1.69 -3.19 116.97 111.21 1jsa h TYR 108 Ca -0.07 0.02 -0.32 0.00 2.00 0.00 0.00 58.73 60.35 1jsa h TYR 108 Cb 0.58 -0.21 0.01 0.00 2.00 0.00 0.00 36.73 39.11 1jsa h TYR 108 CO -0.02 0.35 2.28 -3.47 -0.00 0.00 0.00 178.16 177.30 1jsa n ASP 109 N -4.48 4.29 0.08 3.88 2.03 -1.10 -4.57 116.55 116.68 1jsa n ASP 109 Ca 0.09 -2.27 0.21 0.00 0.52 0.00 0.00 54.79 53.34 1jsa n ASP 109 Cb 0.23 -1.01 0.70 0.00 -0.72 0.00 0.00 41.12 40.32 1jsa n ASP 109 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1jsa h VAL 110 N 3.43 0.28 0.00 5.18 2.07 -1.75 -3.10 116.25 122.36 1jsa h VAL 110 Ca 0.42 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.94 1jsa h VAL 110 Cb 0.18 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1jsa h VAL 110 CO 1.33 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 178.02 1jsa n ASP 111 N -3.54 0.00 0.00 0.57 5.75 -1.26 -5.01 116.55 113.06 1jsa n ASP 111 Ca 0.08 0.24 0.00 0.00 -0.01 0.00 0.00 54.79 55.11 1jsa n ASP 111 Cb 0.72 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 1jsa n ASP 111 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jsa n GLY 112 N 2.21 0.03 0.00 6.12 0.00 -1.17 -5.15 105.19 107.23 1jsa n GLY 112 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1jsa n GLY 112 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jsa n ASN 113 N 0.00 0.00 -0.19 1.61 2.04 -1.26 -5.06 115.26 112.39 1jsa n ASN 113 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1jsa n ASN 113 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1jsa n ASN 113 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1jsa n GLY 114 N 0.00 0.37 3.23 4.83 0.00 -1.26 -5.11 105.19 107.25 1jsa n GLY 114 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1jsa n GLY 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jsa s THR 115 N 0.00 0.00 0.17 2.61 -4.23 -1.26 -4.08 115.64 108.85 1jsa s THR 115 Ca 0.00 -0.02 -0.08 0.00 -1.18 0.00 0.00 61.69 60.41 1jsa s THR 115 Cb 0.00 -0.48 -0.06 0.00 1.34 0.00 0.00 72.50 73.29 1jsa s THR 115 CO 0.00 -0.01 0.46 -0.63 -0.54 0.00 0.00 174.62 173.90 1jsa s ILE 116 N 0.11 5.04 0.42 2.99 1.01 -0.20 -4.86 121.20 125.72 1jsa s ILE 116 Ca -0.01 0.34 0.03 0.00 0.00 0.00 0.00 60.65 61.01 1jsa s ILE 116 Cb -0.02 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 1jsa s ILE 116 CO 0.01 0.05 0.10 -1.54 0.00 0.00 0.00 174.94 173.55 1jsa n SER 117 N 0.17 1.89 0.15 3.58 3.41 -1.26 -2.55 113.62 119.01 1jsa n SER 117 Ca -0.02 -3.11 -0.12 0.00 -0.26 0.00 0.00 58.87 55.36 1jsa n SER 117 Cb 0.52 0.79 -0.07 0.00 -0.26 0.00 0.00 64.21 65.19 1jsa n SER 117 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1jsa h LYS 118 N 0.00 -0.40 -1.14 4.33 3.64 -1.93 -2.79 116.57 118.28 1jsa h LYS 118 Ca -0.34 0.03 0.32 0.00 -1.27 0.00 0.00 60.65 59.39 1jsa h LYS 118 Cb 1.19 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 33.03 1jsa h LYS 118 CO 0.54 -0.07 0.77 -2.95 -2.27 0.00 0.00 179.45 175.48 1jsa h ASN 119 N -0.90 0.22 -0.00 4.20 -1.07 -2.00 0.08 115.58 116.12 1jsa h ASN 119 Ca -0.04 0.05 -0.00 0.00 0.07 0.00 0.00 56.30 56.38 1jsa h ASN 119 Cb 0.52 0.02 0.00 0.00 -2.07 0.00 0.00 38.32 36.79 1jsa h ASN 119 CO 0.07 0.02 -0.00 -0.33 0.07 0.00 0.00 177.43 177.26 1jsa h GLU 120 N 0.19 0.00 0.00 4.14 5.08 -1.91 -2.92 114.58 119.15 1jsa h GLU 120 Ca 0.60 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.96 1jsa h GLU 120 Cb 1.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.21 1jsa h GLU 120 CO -0.17 0.60 0.00 0.28 -1.00 0.00 0.00 179.01 178.72 1jsa n VAL 121 N -4.80 1.14 -0.05 3.13 0.31 -0.15 -2.22 118.33 115.68 1jsa n VAL 121 Ca -0.09 0.52 -0.14 0.00 -0.01 0.00 0.00 64.34 64.63 1jsa n VAL 121 Cb 0.30 -1.48 -0.07 0.00 -0.91 0.00 0.00 33.84 31.68 1jsa n VAL 121 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1jsa h LEU 122 N 0.00 0.43 0.06 7.52 3.38 -0.91 -2.44 115.31 123.36 1jsa h LEU 122 Ca 0.00 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.45 1jsa h LEU 122 Cb 0.12 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jsa h LEU 122 CO 0.00 0.86 -0.03 -0.08 0.09 0.00 0.00 178.44 179.28 1jsa h GLU 123 N 0.01 -0.08 -0.83 1.13 4.57 -1.48 -2.04 114.58 115.85 1jsa h GLU 123 Ca 0.02 0.01 0.21 0.00 -1.18 0.00 0.00 59.36 58.41 1jsa h GLU 123 Cb 0.76 0.02 -0.14 0.00 -0.16 0.00 0.00 28.75 29.24 1jsa h GLU 123 CO 0.05 0.50 0.17 0.82 -1.18 0.00 0.00 179.01 179.37 1jsa h ILE 124 N -0.85 0.35 0.34 2.32 1.08 -1.61 0.83 117.51 119.97 1jsa h ILE 124 Ca -0.01 -0.07 -0.02 0.00 -0.39 0.00 0.00 64.86 64.38 1jsa h ILE 124 Cb 0.62 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 1jsa h ILE 124 CO 0.01 0.04 -0.16 0.58 -0.69 0.00 0.00 178.15 177.93 1jsa h VAL 125 N 0.20 0.58 -0.17 1.67 2.07 -1.49 -2.58 116.25 116.52 1jsa h VAL 125 Ca 0.50 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 67.44 1jsa h VAL 125 Cb 0.96 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 1jsa h VAL 125 CO -0.64 0.11 -0.19 0.74 0.02 0.00 0.00 177.57 177.61 1jsa h THR 126 N -0.86 0.51 -0.65 2.57 2.02 -0.48 -1.05 112.91 114.97 1jsa h THR 126 Ca -0.05 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.26 1jsa h THR 126 Cb 0.53 0.51 -0.12 0.00 -1.74 0.00 0.00 68.15 67.32 1jsa h THR 126 CO 0.08 0.00 -0.25 0.00 0.37 0.00 0.00 175.52 175.72 1jsa h ALA 127 N 0.84 0.23 -0.71 6.16 0.00 0.60 0.36 119.26 126.74 1jsa h ALA 127 Ca 0.11 0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.31 1jsa h ALA 127 Cb 0.38 0.65 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1jsa h ALA 127 CO -0.30 -0.54 0.40 0.82 0.00 0.00 0.00 179.25 179.63 1jsa h ILE 128 N -0.08 0.96 -1.11 0.00 2.04 -0.89 0.58 117.51 119.02 1jsa h ILE 128 Ca 0.29 -0.25 0.30 0.00 1.00 0.00 0.00 64.86 66.20 1jsa h ILE 128 Cb 0.53 0.18 -0.09 0.00 -0.74 0.00 0.00 36.82 36.70 1jsa h ILE 128 CO -0.70 0.13 0.73 0.15 0.00 0.00 0.00 178.15 178.46 1jsa h PHE 129 N 0.72 0.53 -0.37 1.37 3.57 0.93 1.27 116.94 124.97 1jsa h PHE 129 Ca 0.32 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.72 1jsa h PHE 129 Cb 0.21 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1jsa h PHE 129 CO -0.07 0.01 -0.27 0.87 -2.23 0.00 0.00 178.31 176.61 1jsa h LYS 130 N 0.28 0.77 0.00 1.11 1.79 -0.42 -2.17 116.57 117.94 1jsa h LYS 130 Ca 0.62 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1jsa h LYS 130 Cb 1.79 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.42 1jsa h LYS 130 CO -0.27 0.95 0.00 1.98 -1.08 0.00 0.00 179.45 181.03 1jsa h MET 131 N 0.66 0.00 -6.49 3.15 4.05 0.18 -3.26 114.93 113.22 1jsa h MET 131 Ca 0.08 0.00 -0.53 0.00 -0.28 0.00 0.00 59.70 58.97 1jsa h MET 131 Cb 0.79 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 1jsa h MET 131 CO 0.07 0.00 0.46 0.42 0.23 0.00 0.00 176.91 178.09 1jsa s ILE 132 N -3.98 4.34 0.37 1.77 1.01 -0.80 -4.44 121.20 119.48 1jsa s ILE 132 Ca -0.03 1.75 -0.25 0.00 0.00 0.00 0.00 60.65 62.12 1jsa s ILE 132 Cb 0.12 -4.12 -0.10 0.00 0.01 0.00 0.00 42.46 38.37 1jsa s ILE 132 CO 0.44 0.17 1.00 -0.44 0.00 0.00 0.00 174.94 176.11 1jsa s SER 133 N 0.77 7.01 0.14 3.58 0.01 -1.26 -4.76 113.70 119.18 1jsa s SER 133 Ca 0.54 1.92 -0.23 0.00 1.31 0.00 0.00 55.95 59.49 1jsa s SER 133 Cb -0.26 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.39 1jsa s SER 133 CO 0.30 -0.31 1.64 -0.65 0.41 0.00 0.00 173.24 174.63 1jsa h PRO 134 N 2.70 -0.26 -0.21 12.44 0.11 -1.94 0.84 132.00 145.69 1jsa h PRO 134 Ca -0.48 0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.71 1jsa h PRO 134 Cb 1.20 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1jsa h PRO 134 CO 0.63 -0.17 0.79 1.49 -0.21 0.00 0.00 178.00 180.53 1jsa h GLU 135 N -0.27 0.00 0.00 1.05 4.81 -1.99 0.58 114.58 118.76 1jsa h GLU 135 Ca 0.11 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.13 1jsa h GLU 135 Cb 0.42 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 1jsa h GLU 135 CO -0.30 0.00 -1.77 -3.47 -0.73 0.00 0.00 179.01 172.74 1jsa n ASP 136 N -2.86 2.67 0.18 1.04 2.03 0.67 -4.44 116.55 115.85 1jsa n ASP 136 Ca 0.04 -0.04 0.10 0.00 0.52 0.00 0.00 54.79 55.41 1jsa n ASP 136 Cb 0.87 0.19 0.63 0.00 -0.72 0.00 0.00 41.12 42.10 1jsa n ASP 136 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1jsa h THR 137 N 0.00 0.96 -0.39 5.18 2.02 0.28 0.33 112.91 121.28 1jsa h THR 137 Ca -0.30 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1jsa h THR 137 Cb 1.56 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1jsa h THR 137 CO -0.02 0.01 0.00 1.17 0.37 0.00 0.00 175.52 177.05 1jsa n LYS 138 N -4.50 1.96 0.00 6.66 4.81 -0.69 -3.80 118.16 122.60 1jsa n LYS 138 Ca 0.00 -1.44 0.00 0.00 -0.87 0.00 0.00 58.31 56.00 1jsa n LYS 138 Cb 0.19 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 33.91 1jsa n LYS 138 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1jsa n HIS 139 N 0.65 0.00 -1.95 5.64 -0.00 0.82 -5.09 115.22 115.30 1jsa n HIS 139 Ca 0.13 -0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.99 1jsa n HIS 139 Cb 0.35 -0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.24 1jsa n HIS 139 CO 0.00 0.00 0.00 -0.48 0.46 0.00 0.00 176.34 176.32 1jsa s LEU 140 N -0.00 3.45 0.95 0.27 0.05 0.63 -4.98 118.68 119.04 1jsa s LEU 140 Ca 0.00 1.84 -0.13 0.00 0.05 0.00 0.00 54.13 55.89 1jsa s LEU 140 Cb 0.00 -4.53 0.03 0.00 -2.05 0.00 0.00 46.19 39.64 1jsa s LEU 140 CO 0.00 -1.29 0.38 -2.65 -0.55 0.00 0.00 176.35 172.24 1jsa n PRO 141 N -2.20 -0.30 0.00 1.48 -0.02 -1.26 -4.98 135.00 127.71 1jsa n PRO 141 Ca 0.09 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1jsa n PRO 141 Cb 0.53 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1jsa n PRO 141 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1jsa n GLU 142 N -1.63 1.57 -1.36 -0.52 -0.58 -1.26 -3.90 120.64 112.96 1jsa n GLU 142 Ca 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1jsa n GLU 142 Cb 0.54 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.41 1jsa n GLU 142 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1jsa n ASP 143 N 0.00 -0.25 -2.68 1.62 5.75 -1.26 -4.49 116.55 115.23 1jsa n ASP 143 Ca 0.00 0.13 -0.04 0.00 -0.01 0.00 0.00 54.79 54.87 1jsa n ASP 143 Cb 0.00 -0.62 0.13 0.00 -1.03 0.00 0.00 41.12 39.60 1jsa n ASP 143 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1jsa n GLU 144 N -1.36 1.30 -0.03 0.11 1.02 -1.25 -4.20 120.64 116.22 1jsa n GLU 144 Ca 0.00 -1.46 -0.10 0.00 -0.02 0.00 0.00 57.16 55.58 1jsa n GLU 144 Cb 0.13 0.24 -0.14 0.00 -0.02 0.00 0.00 31.44 31.64 1jsa n GLU 144 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1jsa n ASN 145 N -1.17 0.82 -4.20 1.62 6.94 -1.26 -4.89 115.26 113.12 1jsa n ASN 145 Ca -0.12 0.33 -0.19 0.00 -0.02 0.00 0.00 54.58 54.58 1jsa n ASN 145 Cb 0.87 0.06 -0.12 0.00 -2.36 0.00 0.00 39.78 38.22 1jsa n ASN 145 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1jsa s THR 146 N -2.58 1.21 0.47 5.53 -1.32 -1.26 -5.02 115.64 112.66 1jsa s THR 146 Ca -0.07 -1.42 0.23 0.00 -1.21 0.00 0.00 61.69 59.23 1jsa s THR 146 Cb 0.08 -1.22 0.42 0.00 -1.51 0.00 0.00 72.50 70.27 1jsa s THR 146 CO 0.82 -0.26 1.87 -0.65 -2.21 0.00 0.00 174.62 174.19 1jsa h PRO 147 N 4.10 0.23 0.00 7.08 0.11 -1.92 0.94 132.00 142.54 1jsa h PRO 147 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1jsa h PRO 147 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jsa h PRO 147 CO 0.42 0.15 0.00 -1.91 -0.21 0.00 0.00 178.00 176.45 1jsa n GLU 148 N -4.42 0.15 -0.05 1.05 2.13 -1.26 -1.36 120.64 116.87 1jsa n GLU 148 Ca 0.19 0.29 -0.22 0.00 0.66 0.00 0.00 57.16 58.09 1jsa n GLU 148 Cb 0.82 -1.74 -0.13 0.00 0.27 0.00 0.00 31.44 30.66 1jsa n GLU 148 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1jsa n LYS 149 N -2.01 0.66 -0.03 5.31 3.00 0.32 -3.84 118.16 121.57 1jsa n LYS 149 Ca 0.04 0.42 -0.13 0.00 -0.00 0.00 0.00 58.31 58.64 1jsa n LYS 149 Cb 0.27 -1.72 -0.11 0.00 0.00 0.00 0.00 35.03 33.47 1jsa n LYS 149 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 1jsa h ARG 150 N -0.50 0.03 -0.06 1.64 2.43 -1.40 -2.50 114.38 114.01 1jsa h ARG 150 Ca -0.39 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 58.77 1jsa h ARG 150 Cb 1.65 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.20 1jsa h ARG 150 CO -0.08 0.66 0.53 0.00 -1.51 0.00 0.00 179.97 179.57 1jsa h ALA 151 N 0.37 1.61 0.03 2.80 0.00 -1.43 2.57 119.26 125.20 1jsa h ALA 151 Ca -0.00 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1jsa h ALA 151 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1jsa h ALA 151 CO 0.01 -0.57 -1.25 0.93 0.00 0.00 0.00 179.25 178.37 1jsa h GLU 152 N 0.00 0.06 -0.21 0.00 4.39 -1.56 -1.65 114.58 115.60 1jsa h GLU 152 Ca 0.03 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 1jsa h GLU 152 Cb 1.10 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1jsa h GLU 152 CO -0.00 0.92 0.04 -0.22 -1.16 0.00 0.00 179.01 178.59 1jsa h LYS 153 N 0.02 0.34 0.27 2.33 3.11 0.49 0.89 116.57 124.00 1jsa h LYS 153 Ca -0.11 -0.09 -0.01 0.00 -2.81 0.00 0.00 60.65 57.63 1jsa h LYS 153 Cb 1.87 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 33.06 1jsa h LYS 153 CO 0.13 0.47 -0.13 0.82 -2.81 0.00 0.00 179.45 177.93 1jsa h ILE 154 N 0.14 0.00 -0.89 2.00 2.04 -1.49 -1.99 117.51 117.33 1jsa h ILE 154 Ca 0.06 -0.53 0.26 0.00 1.00 0.00 0.00 64.86 65.65 1jsa h ILE 154 Cb 0.30 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 1jsa h ILE 154 CO 0.00 0.00 0.77 -0.25 0.00 0.00 0.00 178.15 178.67 1jsa h TRP 155 N -0.89 0.00 0.00 1.37 2.91 -1.39 1.01 115.95 118.96 1jsa h TRP 155 Ca -0.04 0.00 -0.21 0.00 1.13 0.00 0.00 58.89 59.77 1jsa h TRP 155 Cb 0.28 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.89 1jsa h TRP 155 CO 0.02 0.00 -1.04 0.78 -1.03 0.00 0.00 178.44 177.17 1jsa h GLY 156 N 0.00 0.00 1.09 2.65 0.00 -0.80 -2.43 103.07 103.58 1jsa h GLY 156 Ca 0.42 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.69 1jsa h GLY 156 CO -0.00 0.01 0.22 0.74 0.00 0.00 0.00 176.54 177.50 1jsa h PHE 157 N 0.00 1.18 0.07 5.60 0.04 0.19 -2.95 116.94 121.06 1jsa h PHE 157 Ca -0.03 -0.12 -0.26 0.00 2.80 0.00 0.00 57.97 60.37 1jsa h PHE 157 Cb 1.78 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 39.58 1jsa h PHE 157 CO 0.00 0.94 -1.23 0.74 -0.60 0.00 0.00 178.31 178.16 1jsa h PHE 158 N 1.09 0.26 -2.85 -0.55 -1.00 -1.54 -3.49 116.94 108.86 1jsa h PHE 158 Ca 0.23 -0.19 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 1jsa h PHE 158 Cb 0.32 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.87 1jsa h PHE 158 CO 0.03 1.17 -0.02 0.41 -1.61 0.00 0.00 178.31 178.28 1jsa n GLY 159 N 1.48 0.77 3.57 -1.45 0.00 -0.92 -5.08 105.19 103.56 1jsa n GLY 159 Ca -0.07 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 1jsa n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jsa s LYS 160 N -3.25 1.90 0.00 1.61 -0.14 -1.20 -5.08 119.74 113.57 1jsa s LYS 160 Ca 0.01 -1.84 0.00 0.00 -1.36 0.00 0.00 55.97 52.78 1jsa s LYS 160 Cb -0.00 -1.80 0.00 0.00 -1.68 0.00 0.00 37.83 34.35 1jsa s LYS 160 CO 0.02 0.17 0.00 1.63 -0.76 0.00 0.00 175.35 176.41 1jsa n LYS 161 N -0.82 0.00 0.22 1.68 5.02 -1.14 -4.93 118.16 118.18 1jsa n LYS 161 Ca -0.05 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.07 1jsa n LYS 161 Cb 0.62 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.54 1jsa n LYS 161 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1jsa h ASP 162 N 0.00 -1.43 -0.71 4.39 1.82 -2.02 -2.37 116.42 116.10 1jsa h ASP 162 Ca 0.00 0.13 -0.58 0.00 -0.39 0.00 0.00 57.03 56.19 1jsa h ASP 162 Cb 0.00 0.49 -0.10 0.00 0.68 0.00 0.00 39.33 40.40 1jsa h ASP 162 CO 0.00 -0.61 1.73 -0.90 -1.61 0.00 0.00 179.24 177.85 1jsa n ASP 163 N -5.42 7.34 -3.15 2.28 5.75 -1.26 -4.65 116.55 117.44 1jsa n ASP 163 Ca -0.10 -2.94 0.05 0.00 -0.01 0.00 0.00 54.79 51.79 1jsa n ASP 163 Cb 0.43 -1.38 -0.01 0.00 -1.03 0.00 0.00 41.12 39.14 1jsa n ASP 163 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1jsa s ASP 164 N 1.00 -0.47 0.21 -1.12 1.01 -0.89 -5.14 116.67 111.26 1jsa s ASP 164 Ca 0.61 0.13 0.07 0.00 0.71 0.00 0.00 52.55 54.07 1jsa s ASP 164 Cb 0.26 1.33 -0.04 0.00 1.01 0.00 0.00 42.92 45.48 1jsa s ASP 164 CO -0.11 -0.09 0.11 -0.54 0.21 0.00 0.00 175.17 174.76 1jsa s LYS 165 N 2.95 2.72 -0.18 8.23 1.02 -1.26 -2.90 119.74 130.32 1jsa s LYS 165 Ca 0.17 -1.06 -0.14 0.00 0.02 0.00 0.00 55.97 54.96 1jsa s LYS 165 Cb -0.05 -2.49 -0.05 0.00 -0.52 0.00 0.00 37.83 34.73 1jsa s LYS 165 CO -0.19 0.43 0.30 -1.17 -0.92 0.00 0.00 175.35 173.80 1jsa s LEU 166 N -3.41 4.21 0.32 3.17 2.96 -1.06 -4.86 118.68 120.01 1jsa s LEU 166 Ca 0.31 0.45 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 1jsa s LEU 166 Cb -0.09 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.21 1jsa s LEU 166 CO 0.22 0.06 0.49 -0.89 -1.32 0.00 0.00 176.35 174.91 1jsa s THR 167 N 0.72 4.89 0.22 3.68 2.01 -1.26 -1.03 115.64 124.87 1jsa s THR 167 Ca 0.16 -0.72 -0.09 0.00 0.31 0.00 0.00 61.69 61.35 1jsa s THR 167 Cb -0.13 -3.76 0.17 0.00 0.01 0.00 0.00 72.50 68.79 1jsa s THR 167 CO 0.05 -0.40 1.86 -0.33 -0.69 0.00 0.00 174.62 175.10 1jsa h GLU 168 N 0.87 0.92 -0.36 4.92 5.08 -1.99 -0.88 114.58 123.14 1jsa h GLU 168 Ca -0.50 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 57.88 1jsa h GLU 168 Cb 1.23 -0.21 -0.09 0.00 0.50 0.00 0.00 28.75 30.19 1jsa h GLU 168 CO 0.60 0.61 -0.32 -0.22 -1.00 0.00 0.00 179.01 178.67 1jsa h LYS 169 N 0.95 -0.26 0.00 2.33 1.63 -1.94 -0.31 116.57 118.96 1jsa h LYS 169 Ca 0.31 0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 60.01 1jsa h LYS 169 Cb 0.01 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 1jsa h LYS 169 CO -0.11 -0.17 -0.52 0.93 -3.45 0.00 0.00 179.45 176.13 1jsa h GLU 170 N -0.27 0.00 -0.74 1.90 4.39 -1.93 -2.96 114.58 114.98 1jsa h GLU 170 Ca 0.16 0.00 0.21 0.00 0.34 0.00 0.00 59.36 60.07 1jsa h GLU 170 Cb 0.54 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 1jsa h GLU 170 CO -0.51 0.52 0.74 0.35 -1.16 0.00 0.00 179.01 178.95 1jsa h PHE 171 N 0.00 0.00 0.04 4.33 3.04 0.41 0.82 116.94 125.59 1jsa h PHE 171 Ca -0.01 0.00 -0.32 0.00 3.98 0.00 0.00 57.97 61.62 1jsa h PHE 171 Cb 1.03 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.50 1jsa h PHE 171 CO 0.00 0.00 -1.85 -0.89 -2.02 0.00 0.00 178.31 173.55 1jsa n ILE 172 N -3.65 1.65 -0.06 1.41 5.41 -1.12 -4.18 119.36 118.83 1jsa n ILE 172 Ca 0.15 -0.75 -0.13 0.00 1.00 0.00 0.00 62.75 63.02 1jsa n ILE 172 Cb 1.00 -1.24 -0.12 0.00 -0.71 0.00 0.00 39.64 38.57 1jsa n ILE 172 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1jsa h GLU 173 N 0.02 -0.01 0.00 0.38 4.39 0.27 -2.26 114.58 117.37 1jsa h GLU 173 Ca -0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1jsa h GLU 173 Cb 2.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 1jsa h GLU 173 CO 0.08 0.85 0.66 0.78 -1.16 0.00 0.00 179.01 180.22 1jsa h GLY 174 N -0.93 0.00 0.30 -3.84 0.00 0.09 2.17 103.07 100.86 1jsa h GLY 174 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1jsa h GLY 174 CO 0.00 0.00 -2.20 2.41 0.00 0.00 0.00 176.54 176.75 1jsa n THR 175 N -2.42 1.50 0.32 4.70 -1.04 -1.18 -4.12 114.28 112.04 1jsa n THR 175 Ca -0.01 -0.77 0.21 0.00 -2.04 0.00 0.00 64.05 61.44 1jsa n THR 175 Cb 0.68 -0.90 1.10 0.00 -1.82 0.00 0.00 70.33 69.40 1jsa n THR 175 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1jsa h LEU 176 N 0.01 0.00 0.00 -4.42 5.85 0.42 -3.38 115.31 113.79 1jsa h LEU 176 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1jsa h LEU 176 Cb 2.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.14 1jsa h LEU 176 CO 0.03 0.01 0.00 0.00 -0.34 0.00 0.00 178.44 178.13 1jsa n ALA 177 N -2.12 0.00 -1.43 1.25 0.00 -0.85 -4.90 120.51 112.46 1jsa n ALA 177 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 1jsa n ALA 177 Cb 0.11 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.68 1jsa n ALA 177 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1jsa s ASN 178 N -1.79 3.73 -0.12 0.00 3.84 -1.26 -5.00 114.94 114.34 1jsa s ASN 178 Ca 0.00 1.21 -0.09 0.00 0.21 0.00 0.00 52.86 54.19 1jsa s ASN 178 Cb 0.00 -1.87 -0.26 0.00 -0.55 0.00 0.00 41.25 38.57 1jsa s ASN 178 CO 0.00 -2.44 0.38 0.11 -2.79 0.00 0.00 177.10 172.36 1jsa h LYS 179 N -1.42 0.25 0.00 0.43 1.79 -1.90 -3.33 116.57 112.39 1jsa h LYS 179 Ca -0.50 -0.43 0.00 0.00 -2.18 0.00 0.00 60.65 57.54 1jsa h LYS 179 Cb 1.30 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.11 1jsa h LYS 179 CO 0.59 1.21 0.11 0.39 -1.08 0.00 0.00 179.45 180.67 1jsa n GLU 180 N -3.59 0.00 0.00 3.15 1.02 -1.26 -2.06 120.64 117.90 1jsa n GLU 180 Ca -0.31 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1jsa n GLU 180 Cb 1.01 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 1jsa n GLU 180 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1jsa n ILE 181 N -1.05 0.00 0.23 -3.67 5.41 -1.25 -2.99 119.36 116.03 1jsa n ILE 181 Ca 0.00 0.47 0.11 0.00 1.00 0.00 0.00 62.75 64.33 1jsa n ILE 181 Cb 0.11 -1.44 0.59 0.00 -0.71 0.00 0.00 39.64 38.19 1jsa n ILE 181 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.55 176.72 1jsa h LEU 182 N 0.00 0.00 0.07 1.39 8.10 -1.66 0.24 115.31 123.45 1jsa h LEU 182 Ca 0.00 0.00 -0.29 0.00 0.11 0.00 0.00 57.88 57.70 1jsa h LEU 182 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.20 1jsa h LEU 182 CO 0.00 0.00 -1.52 0.03 -4.11 0.00 0.00 178.44 172.84 1jsa h ARG 183 N 0.00 0.15 0.00 0.17 2.47 -1.57 -3.35 114.38 112.25 1jsa h ARG 183 Ca 0.00 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1jsa h ARG 183 Cb 0.48 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 1jsa h ARG 183 CO 0.00 0.95 0.00 -0.11 0.56 0.00 0.00 179.97 181.37 1jsa n LEU 184 N -3.34 0.03 0.16 3.04 7.94 0.76 -4.27 117.00 121.32 1jsa n LEU 184 Ca -0.15 0.21 0.09 0.00 -1.11 0.00 0.00 56.01 55.05 1jsa n LEU 184 Cb 1.03 -0.49 0.14 0.00 0.53 0.00 0.00 43.42 44.63 1jsa n LEU 184 CO 0.48 -0.49 1.08 0.16 -1.11 0.00 0.00 177.39 177.52 1jsa h ILE 185 N 0.00 0.00 -1.13 1.96 -0.00 -1.58 -3.35 117.51 113.40 1jsa h ILE 185 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 64.86 64.54 1jsa h ILE 185 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 36.82 36.80 1jsa h ILE 185 CO 0.00 0.00 0.90 -1.10 -0.00 0.00 0.00 178.15 177.95 1jsa s GLN 186 N -4.13 2.30 1.17 0.16 -0.21 -1.26 -4.94 119.66 112.76 1jsa s GLN 186 Ca -0.01 0.39 -0.17 0.00 0.02 0.00 0.00 55.36 55.58 1jsa s GLN 186 Cb 0.05 -4.74 0.22 0.00 1.00 0.00 0.00 33.01 29.53 1jsa s GLN 186 CO 0.15 -3.41 0.44 1.97 -2.12 0.00 0.00 175.29 172.31 1jsa n PHE 187 N 14.94 -2.30 0.17 0.91 1.16 -1.26 -5.03 117.46 126.06 1jsa n PHE 187 Ca 0.36 -0.17 0.01 0.00 -1.87 0.00 0.00 57.45 55.77 1jsa n PHE 187 Cb 0.49 -1.46 0.08 0.00 -1.61 0.00 0.00 39.48 36.98 1jsa n PHE 187 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28