#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jyl s ARG 5 N 0.00 3.57 -0.02 0.38 1.70 -1.26 -5.08 118.95 118.24 1jyl s ARG 5 Ca 0.00 -0.31 -0.28 0.00 -0.47 0.00 0.00 55.73 54.68 1jyl s ARG 5 Cb 0.00 -3.09 -0.03 0.00 -0.57 0.00 0.00 34.95 31.26 1jyl s ARG 5 CO 0.00 0.52 0.88 0.08 -1.08 0.00 0.00 175.30 175.70 1jyl s VAL 6 N -0.33 4.91 0.17 4.99 1.01 -1.26 -4.91 120.40 124.97 1jyl s VAL 6 Ca 0.09 1.85 0.08 0.00 0.00 0.00 0.00 61.98 63.99 1jyl s VAL 6 Cb -0.12 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1jyl s VAL 6 CO 0.02 0.20 -0.17 -1.59 0.00 0.00 0.00 175.10 173.56 1jyl s LYS 7 N 0.86 1.25 0.02 2.72 -2.85 -1.11 -4.44 119.74 116.19 1jyl s LYS 7 Ca 0.47 -1.42 0.05 0.00 -1.00 0.00 0.00 55.97 54.07 1jyl s LYS 7 Cb -0.20 -1.21 -0.03 0.00 -2.06 0.00 0.00 37.83 34.33 1jyl s LYS 7 CO 0.25 0.23 -0.13 0.00 0.10 0.00 0.00 175.35 175.80 1jyl s ALA 8 N -2.29 2.77 -0.25 0.59 0.00 0.17 -1.07 121.76 121.69 1jyl s ALA 8 Ca 0.16 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1jyl s ALA 8 Cb -0.04 -0.92 0.06 0.00 0.00 0.00 0.00 23.12 22.22 1jyl s ALA 8 CO 0.06 0.59 -0.04 0.42 0.00 0.00 0.00 175.76 176.79 1jyl s ILE 9 N -0.94 1.56 -0.36 0.00 1.01 0.11 -1.09 121.20 121.49 1jyl s ILE 9 Ca 0.15 -1.31 -0.12 0.00 0.00 0.00 0.00 60.65 59.37 1jyl s ILE 9 Cb -0.11 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.52 1jyl s ILE 9 CO 0.06 -0.16 0.23 -0.63 0.00 0.00 0.00 174.94 174.44 1jyl s ILE 10 N 1.37 4.90 -0.06 2.92 1.01 -0.16 -0.86 121.20 130.32 1jyl s ILE 10 Ca -0.04 -0.59 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 1jyl s ILE 10 Cb -0.19 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 1jyl s ILE 10 CO -0.07 -0.15 1.12 -0.76 0.00 0.00 0.00 174.94 175.08 1jyl s LEU 11 N 1.63 4.28 0.00 2.97 1.02 0.44 -1.57 118.68 127.44 1jyl s LEU 11 Ca 0.04 1.72 0.02 0.00 0.02 0.00 0.00 54.13 55.93 1jyl s LEU 11 Cb -0.18 -3.56 0.04 0.00 0.02 0.00 0.00 46.19 42.50 1jyl s LEU 11 CO 0.08 -0.51 0.78 0.00 0.02 0.00 0.00 176.35 176.72 1jyl n ALA 12 N 4.98 2.27 0.64 4.21 0.00 -0.82 -1.14 120.51 130.66 1jyl n ALA 12 Ca 0.10 -0.59 0.12 0.00 0.00 0.00 0.00 53.44 53.07 1jyl n ALA 12 Cb 0.47 -0.26 0.24 0.00 0.00 0.00 0.00 19.45 19.90 1jyl n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jyl n ALA 13 N 0.04 2.86 -0.89 0.00 0.00 -1.20 -4.46 120.51 116.87 1jyl n ALA 13 Ca -0.03 -0.22 -0.33 0.00 0.00 0.00 0.00 53.44 52.86 1jyl n ALA 13 Cb 0.64 -1.23 0.11 0.00 0.00 0.00 0.00 19.45 18.98 1jyl n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jyl n GLY 14 N 1.36 -1.73 0.14 0.00 0.00 -1.26 -2.67 105.19 101.02 1jyl n GLY 14 Ca 0.04 -0.67 -0.06 0.00 0.00 0.00 0.00 46.02 45.33 1jyl n GLY 14 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jyl h LEU 15 N -1.34 0.20 0.83 0.99 3.38 -1.94 -3.42 115.31 114.02 1jyl h LEU 15 Ca -0.44 -0.14 -0.28 0.00 0.09 0.00 0.00 57.88 57.11 1jyl h LEU 15 Cb 1.29 -0.06 0.03 0.00 0.09 0.00 0.00 40.66 42.02 1jyl h LEU 15 CO 0.37 0.86 -0.41 0.61 0.09 0.00 0.00 178.44 179.95 1jyl n GLY 16 N 0.54 -0.17 0.34 0.83 0.00 -1.26 -4.77 105.19 100.70 1jyl n GLY 16 Ca -0.02 -0.17 0.15 0.00 0.00 0.00 0.00 46.02 45.98 1jyl n GLY 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1jyl h THR 17 N -0.79 0.84 0.00 2.61 1.35 -1.92 -0.51 112.91 114.49 1jyl h THR 17 Ca -0.37 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1jyl h THR 17 Cb 1.26 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1jyl h THR 17 CO 0.40 0.02 0.00 -1.14 -0.25 0.00 0.00 175.52 174.55 1jyl n ARG 18 N -4.44 0.61 -0.05 4.72 3.00 -1.26 -2.32 116.66 116.91 1jyl n ARG 18 Ca 0.07 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.94 1jyl n ARG 18 Cb 0.42 -1.24 0.05 0.00 0.00 0.00 0.00 32.46 31.69 1jyl n ARG 18 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1jyl n LEU 19 N -0.74 2.11 -4.75 6.15 0.00 -0.20 -3.91 117.00 115.66 1jyl n LEU 19 Ca 0.07 -1.73 -0.36 0.00 0.00 0.00 0.00 56.01 53.98 1jyl n LEU 19 Cb 0.03 -0.07 0.03 0.00 0.00 0.00 0.00 43.42 43.41 1jyl n LEU 19 CO 0.05 0.52 0.86 -0.13 0.00 0.00 0.00 177.39 178.69 1jyl s ARG 20 N -0.83 3.10 0.04 1.96 1.81 -0.98 -1.20 118.95 122.84 1jyl s ARG 20 Ca 0.08 1.88 0.27 0.00 -1.72 0.00 0.00 55.73 56.25 1jyl s ARG 20 Cb 0.05 -2.04 1.12 0.00 -0.45 0.00 0.00 34.95 33.62 1jyl s ARG 20 CO 0.06 -1.12 1.87 -0.35 -0.68 0.00 0.00 175.30 175.08 1jyl n PRO 21 N -1.36 0.05 -0.35 3.54 -0.04 -1.26 -4.84 135.00 130.74 1jyl n PRO 21 Ca 0.12 0.06 0.32 0.00 -0.04 0.00 0.00 63.50 63.97 1jyl n PRO 21 Cb 0.49 -1.56 0.66 0.00 -0.04 0.00 0.00 33.50 33.05 1jyl n PRO 21 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1jyl h LEU 22 N 0.00 0.17 -3.41 1.53 6.46 -1.58 -2.19 115.31 116.30 1jyl h LEU 22 Ca 0.00 0.04 -0.13 0.00 -0.12 0.00 0.00 57.88 57.67 1jyl h LEU 22 Cb 0.52 0.02 -0.08 0.00 -0.73 0.00 0.00 40.66 40.39 1jyl h LEU 22 CO 0.00 0.01 0.05 0.35 -0.62 0.00 0.00 178.44 178.23 1jyl n THR 23 N -4.37 2.54 0.08 1.05 -2.24 -1.07 -4.48 114.28 105.79 1jyl n THR 23 Ca 0.27 -2.17 -0.11 0.00 -2.27 0.00 0.00 64.05 59.77 1jyl n THR 23 Cb 1.18 -0.31 -0.11 0.00 -2.10 0.00 0.00 70.33 68.99 1jyl n THR 23 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1jyl h GLU 24 N 1.57 0.14 0.00 -0.78 4.57 -1.71 -3.35 114.58 115.02 1jyl h GLU 24 Ca 0.16 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1jyl h GLU 24 Cb 1.74 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 30.39 1jyl h GLU 24 CO 0.41 1.08 -0.33 0.09 -1.18 0.00 0.00 179.01 179.08 1jyl n ASN 25 N -3.48 1.80 -3.70 1.04 5.03 -1.26 -5.01 115.26 109.68 1jyl n ASN 25 Ca -0.04 -3.29 -0.12 0.00 0.87 0.00 0.00 54.58 52.00 1jyl n ASN 25 Cb 0.95 -0.45 -0.10 0.00 -1.02 0.00 0.00 39.78 39.17 1jyl n ASN 25 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1jyl s THR 26 N -2.62 -0.01 0.41 3.41 2.01 -1.26 -5.14 115.64 112.44 1jyl s THR 26 Ca 0.33 0.03 -0.24 0.00 0.31 0.00 0.00 61.69 62.12 1jyl s THR 26 Cb 0.31 -0.67 -0.09 0.00 0.01 0.00 0.00 72.50 72.06 1jyl s THR 26 CO -0.03 0.01 1.06 -2.84 -0.69 0.00 0.00 174.62 172.13 1jyl s PRO 27 N 0.76 4.10 0.26 4.92 0.02 -1.26 -4.46 135.00 139.33 1jyl s PRO 27 Ca -0.04 1.53 -0.02 0.00 0.02 0.00 0.00 61.00 62.49 1jyl s PRO 27 Cb -0.05 -2.49 0.54 0.00 0.02 0.00 0.00 34.50 32.51 1jyl s PRO 27 CO -0.06 -0.20 1.72 -0.22 -0.33 0.00 0.00 177.00 177.91 1jyl h LYS 28 N 2.38 0.42 -0.29 5.54 3.64 -1.86 0.41 116.57 126.82 1jyl h LYS 28 Ca -0.48 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 58.95 1jyl h LYS 28 Cb 1.22 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1jyl h LYS 28 CO 0.62 0.28 0.26 0.00 -2.27 0.00 0.00 179.45 178.34 1jyl h ALA 29 N 1.60 2.05 -0.01 5.00 0.00 -1.88 -0.80 119.26 125.22 1jyl h ALA 29 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1jyl h ALA 29 Cb 0.75 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1jyl h ALA 29 CO -0.44 -0.41 -0.70 1.28 0.00 0.00 0.00 179.25 178.98 1jyl n LEU 30 N -4.01 1.52 -4.61 0.00 4.77 0.14 -1.20 117.00 113.60 1jyl n LEU 30 Ca 0.04 -0.64 -0.40 0.00 -0.03 0.00 0.00 56.01 54.98 1jyl n LEU 30 Cb 0.42 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1jyl n LEU 30 CO 0.30 0.31 0.59 0.52 -1.33 0.00 0.00 177.39 177.78 1jyl n VAL 31 N -0.70 2.69 -4.67 4.08 0.31 -0.31 -4.39 118.33 115.34 1jyl n VAL 31 Ca 0.07 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.59 1jyl n VAL 31 Cb 0.39 -1.18 -0.13 0.00 -0.91 0.00 0.00 33.84 32.01 1jyl n VAL 31 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jyl s GLN 32 N -2.18 1.95 -0.14 5.55 -2.07 -1.26 -1.71 119.66 119.80 1jyl s GLN 32 Ca 0.66 -1.05 0.01 0.00 -1.82 0.00 0.00 55.36 53.16 1jyl s GLN 32 Cb -0.52 -2.12 0.02 0.00 -1.09 0.00 0.00 33.01 29.30 1jyl s GLN 32 CO 0.55 0.52 -0.17 0.54 -1.32 0.00 0.00 175.29 175.41 1jyl s VAL 33 N -0.93 1.73 -0.69 3.63 0.11 -0.50 -4.63 120.40 119.12 1jyl s VAL 33 Ca 0.14 -0.76 -0.04 0.00 -2.93 0.00 0.00 61.98 58.40 1jyl s VAL 33 Cb -0.10 -1.57 0.00 0.00 -1.53 0.00 0.00 36.38 33.18 1jyl s VAL 33 CO 0.05 0.49 0.49 0.59 -3.33 0.00 0.00 175.10 173.38 1jyl n ASN 34 N 4.41 -4.03 -3.61 3.54 4.13 -1.26 -3.27 115.26 115.18 1jyl n ASN 34 Ca -0.19 -0.22 -0.23 0.00 1.68 0.00 0.00 54.58 55.61 1jyl n ASN 34 Cb 0.51 -2.70 0.04 0.00 -1.54 0.00 0.00 39.78 36.09 1jyl n ASN 34 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jyl n GLN 35 N -2.58 -3.19 -3.53 3.52 6.02 -1.26 -4.99 117.38 111.37 1jyl n GLN 35 Ca -0.01 0.61 -0.00 0.00 -0.01 0.00 0.00 57.00 57.59 1jyl n GLN 35 Cb 0.54 -4.96 -0.04 0.00 1.02 0.00 0.00 30.24 26.79 1jyl n GLN 35 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1jyl s LYS 36 N -5.67 0.43 0.52 -1.09 2.36 -1.20 -5.11 119.74 109.98 1jyl s LYS 36 Ca 0.24 1.04 -0.22 0.00 -2.55 0.00 0.00 55.97 54.48 1jyl s LYS 36 Cb -0.07 0.58 -0.06 0.00 -1.05 0.00 0.00 37.83 37.23 1jyl s LYS 36 CO 0.81 -0.14 1.31 -2.30 1.55 0.00 0.00 175.35 176.58 1jyl n PRO 37 N 5.04 1.70 0.11 4.03 -0.02 -1.26 -1.40 135.00 143.21 1jyl n PRO 37 Ca -0.11 0.62 -0.13 0.00 -2.02 0.00 0.00 63.50 61.86 1jyl n PRO 37 Cb 0.52 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.44 1jyl n PRO 37 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1jyl h LEU 38 N 1.53 -0.68 -2.20 2.45 4.07 -1.23 -2.29 115.31 116.96 1jyl h LEU 38 Ca -0.50 0.08 0.06 0.00 0.08 0.00 0.00 57.88 57.60 1jyl h LEU 38 Cb 1.31 0.26 -0.01 0.00 1.08 0.00 0.00 40.66 43.30 1jyl h LEU 38 CO 0.57 -0.33 0.21 -0.29 -1.08 0.00 0.00 178.44 177.52 1jyl h ILE 39 N -0.45 0.50 -0.14 1.22 2.10 -1.38 -1.47 117.51 117.89 1jyl h ILE 39 Ca 0.03 0.00 -0.14 0.00 1.08 0.00 0.00 64.86 65.83 1jyl h ILE 39 Cb 0.47 0.83 -0.01 0.00 -1.09 0.00 0.00 36.82 37.02 1jyl h ILE 39 CO -0.13 0.00 -0.51 -0.33 -1.08 0.00 0.00 178.15 176.10 1jyl h GLU 40 N 0.00 0.38 -0.26 2.19 5.08 -1.69 -1.27 114.58 119.01 1jyl h GLU 40 Ca 0.09 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1jyl h GLU 40 Cb 0.51 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1jyl h GLU 40 CO -0.00 0.80 0.12 1.88 -1.00 0.00 0.00 179.01 180.82 1jyl h TYR 41 N 0.30 0.38 -0.37 4.33 -1.99 -1.23 -0.72 116.97 117.67 1jyl h TYR 41 Ca 0.01 -0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 1jyl h TYR 41 Cb 1.00 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 39.60 1jyl h TYR 41 CO 0.03 0.37 0.13 1.96 -0.00 0.00 0.00 178.16 180.65 1jyl h GLN 42 N 0.29 0.57 -0.39 4.88 4.20 -1.52 -1.00 115.11 122.14 1jyl h GLN 42 Ca 0.09 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1jyl h GLN 42 Cb 0.13 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1jyl h GLN 42 CO -0.01 0.56 0.07 0.82 -0.67 0.00 0.00 178.83 179.60 1jyl h ILE 43 N 0.45 1.24 0.00 2.54 2.04 -1.15 0.22 117.51 122.86 1jyl h ILE 43 Ca 0.12 -0.84 -0.08 0.00 1.00 0.00 0.00 64.86 65.06 1jyl h ILE 43 Cb 0.22 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1jyl h ILE 43 CO -0.01 0.29 -0.38 -0.33 0.00 0.00 0.00 178.15 177.72 1jyl h GLU 44 N 0.49 0.00 -0.01 2.37 5.08 -1.02 0.16 114.58 121.65 1jyl h GLU 44 Ca 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1jyl h GLU 44 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1jyl h GLU 44 CO 0.01 0.38 -0.04 0.74 -1.00 0.00 0.00 179.01 179.09 1jyl h PHE 45 N 0.00 0.07 -0.68 4.33 0.05 -0.94 -2.02 116.94 117.75 1jyl h PHE 45 Ca -0.00 -0.03 0.07 0.00 3.82 0.00 0.00 57.97 61.83 1jyl h PHE 45 Cb 0.69 -0.01 -0.06 0.00 2.00 0.00 0.00 35.95 38.56 1jyl h PHE 45 CO 0.00 0.67 0.36 -0.07 -0.18 0.00 0.00 178.31 179.09 1jyl h LEU 46 N -0.55 0.51 0.29 1.54 3.38 -0.76 -2.74 115.31 116.98 1jyl h LEU 46 Ca -0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1jyl h LEU 46 Cb 0.67 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1jyl h LEU 46 CO 0.01 0.32 -0.14 0.11 0.09 0.00 0.00 178.44 178.83 1jyl h LYS 47 N 0.65 -0.37 -0.40 1.13 1.57 -1.00 0.34 116.57 118.49 1jyl h LYS 47 Ca 0.32 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.24 1jyl h LYS 47 Cb 0.26 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1jyl h LYS 47 CO -0.22 -0.10 0.57 1.49 -0.57 0.00 0.00 179.45 180.62 1jyl h GLU 48 N -0.62 0.00 -0.61 3.15 4.81 -1.08 0.95 114.58 121.18 1jyl h GLU 48 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1jyl h GLU 48 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1jyl h GLU 48 CO 0.06 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.97 1jyl n LYS 49 N -3.40 4.30 -0.93 1.92 4.76 -1.07 -4.94 118.16 118.80 1jyl n LYS 49 Ca 0.07 -3.03 0.00 0.00 -2.87 0.00 0.00 58.31 52.48 1jyl n LYS 49 Cb 0.73 -2.08 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 1jyl n LYS 49 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jyl n GLY 50 N 0.87 0.50 3.29 0.72 0.00 0.33 -4.36 105.19 106.53 1jyl n GLY 50 Ca 0.27 -0.36 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 1jyl n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jyl s ILE 51 N -2.00 5.43 -2.80 -0.61 1.01 0.12 -4.80 121.20 117.55 1jyl s ILE 51 Ca 0.00 -3.00 0.25 0.00 0.00 0.00 0.00 60.65 57.90 1jyl s ILE 51 Cb 0.00 -4.33 0.32 0.00 0.01 0.00 0.00 42.46 38.45 1jyl s ILE 51 CO 0.00 -1.07 1.42 0.59 0.00 0.00 0.00 174.94 175.87 1jyl n ASN 52 N 3.31 2.56 -4.44 3.58 3.02 -1.26 -3.49 115.26 118.54 1jyl n ASN 52 Ca 0.18 -1.85 -0.44 0.00 -0.03 0.00 0.00 54.58 52.43 1jyl n ASN 52 Cb 0.42 -0.02 -0.00 0.00 -0.61 0.00 0.00 39.78 39.57 1jyl n ASN 52 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jyl s ASP 53 N -1.95 7.12 -0.16 6.41 -1.08 -1.26 -4.88 116.67 120.86 1jyl s ASP 53 Ca 0.32 -3.11 -0.03 0.00 -0.52 0.00 0.00 52.55 49.21 1jyl s ASP 53 Cb 0.20 -2.36 -0.02 0.00 -1.46 0.00 0.00 42.92 39.28 1jyl s ASP 53 CO 0.31 -0.66 -0.05 -0.63 0.52 0.00 0.00 175.17 174.66 1jyl s ILE 54 N 1.03 3.69 -0.23 4.11 1.01 -1.26 -0.66 121.20 128.90 1jyl s ILE 54 Ca 0.40 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 1jyl s ILE 54 Cb -0.04 -2.62 0.03 0.00 0.01 0.00 0.00 42.46 39.84 1jyl s ILE 54 CO -0.02 0.49 -0.10 -0.63 0.00 0.00 0.00 174.94 174.68 1jyl s ILE 55 N 0.51 2.62 -0.24 2.92 1.01 -0.25 -1.10 121.20 126.67 1jyl s ILE 55 Ca -0.04 -1.03 -0.06 0.00 0.00 0.00 0.00 60.65 59.52 1jyl s ILE 55 Cb -0.15 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 1jyl s ILE 55 CO 0.03 0.28 0.02 -0.63 0.00 0.00 0.00 174.94 174.65 1jyl s ILE 56 N 1.30 3.91 0.10 2.92 1.01 0.58 -0.99 121.20 130.04 1jyl s ILE 56 Ca 0.01 -0.33 -0.24 0.00 0.00 0.00 0.00 60.65 60.09 1jyl s ILE 56 Cb -0.16 -2.82 -0.07 0.00 0.01 0.00 0.00 42.46 39.42 1jyl s ILE 56 CO -0.07 0.36 0.74 -0.63 0.00 0.00 0.00 174.94 175.35 1jyl s ILE 57 N 1.55 4.57 0.24 2.92 -1.09 -0.61 -0.62 121.20 128.16 1jyl s ILE 57 Ca 0.06 1.61 0.01 0.00 -2.23 0.00 0.00 60.65 60.10 1jyl s ILE 57 Cb -0.15 -4.10 -0.05 0.00 -1.58 0.00 0.00 42.46 36.59 1jyl s ILE 57 CO 0.01 0.46 0.10 0.68 -1.23 0.00 0.00 174.94 174.96 1jyl s VAL 58 N -0.68 0.43 0.00 2.92 -7.23 -0.07 -1.94 120.40 113.83 1jyl s VAL 58 Ca 0.36 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1jyl s VAL 58 Cb -0.22 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.16 1jyl s VAL 58 CO 0.24 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.60 1jyl n GLY 59 N -0.40 -0.53 3.72 2.32 0.00 -1.26 -1.19 105.19 107.85 1jyl n GLY 59 Ca -0.00 0.56 -0.66 0.00 0.00 0.00 0.00 46.02 45.91 1jyl n GLY 59 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jyl n TYR 60 N 0.00 1.76 -2.14 1.61 4.19 -1.09 0.80 117.16 122.28 1jyl n TYR 60 Ca 0.00 1.06 -0.18 0.00 3.31 0.00 0.00 57.90 62.09 1jyl n TYR 60 Cb 0.00 -2.26 -0.03 0.00 0.49 0.00 0.00 39.34 37.54 1jyl n TYR 60 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 1jyl n LEU 61 N 4.37 -1.59 -0.33 2.98 4.77 -1.26 -4.77 117.00 121.17 1jyl n LEU 61 Ca 0.32 0.17 0.21 0.00 -0.03 0.00 0.00 56.01 56.68 1jyl n LEU 61 Cb -0.04 -2.67 0.41 0.00 -2.33 0.00 0.00 43.42 38.80 1jyl n LEU 61 CO 0.89 -0.43 0.95 0.07 -1.33 0.00 0.00 177.39 177.54 1jyl h LYS 62 N 0.00 0.07 -0.26 3.23 2.10 0.01 -0.22 116.57 121.50 1jyl h LYS 62 Ca -0.42 -0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.31 1jyl h LYS 62 Cb 1.28 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 1jyl h LYS 62 CO 0.52 0.05 0.54 1.05 -2.00 0.00 0.00 179.45 179.61 1jyl h GLU 63 N 0.07 0.00 -0.00 0.07 9.09 -1.90 0.14 114.58 122.05 1jyl h GLU 63 Ca 0.69 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.10 1jyl h GLU 63 Cb 1.61 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.71 1jyl h GLU 63 CO -0.79 0.00 -0.01 1.04 0.05 0.00 0.00 179.01 179.29 1jyl n GLN 64 N -3.20 0.78 -0.03 1.06 6.02 -0.09 -3.55 117.38 118.37 1jyl n GLN 64 Ca 0.04 -0.07 -0.03 0.00 -0.01 0.00 0.00 57.00 56.93 1jyl n GLN 64 Cb 0.66 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.29 1jyl n GLN 64 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1jyl n PHE 65 N -1.05 0.49 -0.40 1.08 3.72 0.48 -4.56 117.46 117.23 1jyl n PHE 65 Ca 0.19 0.17 0.34 0.00 -0.05 0.00 0.00 57.45 58.09 1jyl n PHE 65 Cb 0.19 -0.98 0.57 0.00 -0.94 0.00 0.00 39.48 38.32 1jyl n PHE 65 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1jyl n ASP 66 N -2.76 0.17 0.28 4.37 8.00 -1.23 -0.05 116.55 125.32 1jyl n ASP 66 Ca -0.18 1.16 0.16 0.00 0.71 0.00 0.00 54.79 56.64 1jyl n ASP 66 Cb 0.94 -0.57 0.75 0.00 -0.02 0.00 0.00 41.12 42.22 1jyl n ASP 66 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 1jyl h TYR 67 N 0.00 0.00 -0.66 1.24 -0.00 -1.85 -2.86 116.97 112.84 1jyl h TYR 67 Ca 0.74 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 59.43 1jyl h TYR 67 Cb 2.38 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 39.08 1jyl h TYR 67 CO -0.00 0.06 0.29 -0.07 -0.00 0.00 0.00 178.16 178.43 1jyl h LEU 68 N 0.00 0.87 -0.28 0.10 3.38 -0.80 -1.12 115.31 117.45 1jyl h LEU 68 Ca -0.00 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.92 1jyl h LEU 68 Cb 0.42 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1jyl h LEU 68 CO 0.01 0.76 -0.13 0.11 0.09 0.00 0.00 178.44 179.28 1jyl h LYS 69 N 0.94 -0.09 -0.35 1.13 1.57 -1.67 0.57 116.57 118.67 1jyl h LYS 69 Ca 0.23 0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.86 1jyl h LYS 69 Cb 0.15 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1jyl h LYS 69 CO -0.02 -0.06 -0.38 1.49 -0.57 0.00 0.00 179.45 179.91 1jyl h GLU 70 N -0.09 0.83 0.10 3.15 4.81 -1.64 -1.25 114.58 120.48 1jyl h GLU 70 Ca 0.15 -0.43 -0.29 0.00 -0.13 0.00 0.00 59.36 58.66 1jyl h GLU 70 Cb 0.32 0.01 0.03 0.00 0.63 0.00 0.00 28.75 29.73 1jyl h GLU 70 CO -0.34 1.06 -1.21 -0.22 -0.73 0.00 0.00 179.01 177.57 1jyl h LYS 71 N 0.68 0.64 0.00 1.92 3.64 -0.49 -3.40 116.57 119.57 1jyl h LYS 71 Ca 0.06 -0.82 0.00 0.00 -1.27 0.00 0.00 60.65 58.61 1jyl h LYS 71 Cb 0.94 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1jyl h LYS 71 CO 0.09 1.37 -0.73 0.66 -2.27 0.00 0.00 179.45 178.58 1jyl n TYR 72 N -3.81 0.00 -2.38 1.91 4.02 0.19 -5.03 117.16 112.06 1jyl n TYR 72 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 1jyl n TYR 72 Cb 0.97 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 40.27 1jyl n TYR 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jyl n GLY 73 N 1.96 0.90 3.94 2.72 0.00 -0.47 -5.02 105.19 109.22 1jyl n GLY 73 Ca -0.00 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 1jyl n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jyl s VAL 74 N -2.86 5.17 -0.16 1.61 -7.23 -1.26 -4.74 120.40 110.93 1jyl s VAL 74 Ca 0.00 -0.57 -0.05 0.00 -1.81 0.00 0.00 61.98 59.55 1jyl s VAL 74 Cb 0.00 -3.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.08 1jyl s VAL 74 CO 0.00 -0.40 0.01 -0.60 -0.31 0.00 0.00 175.10 173.79 1jyl s ARG 75 N -3.97 3.69 -0.09 4.82 3.52 -0.26 -4.36 118.95 122.30 1jyl s ARG 75 Ca 0.38 -0.44 -0.04 0.00 -0.13 0.00 0.00 55.73 55.51 1jyl s ARG 75 Cb -0.10 -3.01 -0.04 0.00 -1.56 0.00 0.00 34.95 30.25 1jyl s ARG 75 CO 0.32 0.32 0.07 -0.51 -0.81 0.00 0.00 175.30 174.70 1jyl s LEU 76 N 0.18 3.98 -0.08 -0.88 1.43 -1.26 -0.30 118.68 121.75 1jyl s LEU 76 Ca 0.01 0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 1jyl s LEU 76 Cb -0.13 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.10 1jyl s LEU 76 CO 0.02 0.37 -0.12 -0.69 0.23 0.00 0.00 176.35 176.16 1jyl s VAL 77 N -1.00 1.18 -0.28 -1.59 1.01 0.21 -4.92 120.40 115.00 1jyl s VAL 77 Ca 0.16 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.43 1jyl s VAL 77 Cb -0.12 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 1jyl s VAL 77 CO 0.05 0.37 0.72 0.12 0.00 0.00 0.00 175.10 176.36 1jyl s PHE 78 N 0.79 3.24 -0.52 5.22 2.19 -1.26 -0.90 117.98 126.75 1jyl s PHE 78 Ca -0.12 0.80 -0.17 0.00 0.33 0.00 0.00 56.93 57.78 1jyl s PHE 78 Cb -0.15 -3.05 0.09 0.00 -1.31 0.00 0.00 43.02 38.60 1jyl s PHE 78 CO 0.02 -0.46 0.51 1.21 1.83 0.00 0.00 175.22 178.32 1jyl s ASN 79 N 1.55 6.18 0.51 6.13 3.84 -0.33 -4.93 114.94 127.89 1jyl s ASN 79 Ca 0.29 -1.44 0.30 0.00 0.21 0.00 0.00 52.86 52.22 1jyl s ASN 79 Cb -0.15 -2.22 1.16 0.00 -0.55 0.00 0.00 41.25 39.49 1jyl s ASN 79 CO 0.11 -0.82 1.91 -2.24 -2.79 0.00 0.00 177.10 173.27 1jyl h ASP 80 N 8.89 0.00 -0.43 -4.21 2.03 -1.95 -2.65 116.42 118.10 1jyl h ASP 80 Ca -0.29 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 1jyl h ASP 80 Cb 1.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 1jyl h ASP 80 CO 0.98 0.07 0.00 0.29 -1.03 0.00 0.00 179.24 179.55 1jyl n LYS 81 N -3.19 2.95 0.33 4.15 4.76 -1.26 -4.52 118.16 121.39 1jyl n LYS 81 Ca 0.01 -1.95 0.09 0.00 -2.87 0.00 0.00 58.31 53.59 1jyl n LYS 81 Cb 0.36 -1.73 0.48 0.00 -1.84 0.00 0.00 35.03 32.29 1jyl n LYS 81 CO 0.00 0.00 0.00 0.10 -1.37 0.00 0.00 177.40 176.13 1jyl h TYR 82 N 2.75 0.00 0.00 2.13 -0.00 -1.75 0.78 116.97 120.88 1jyl h TYR 82 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1jyl h TYR 82 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.85 1jyl h TYR 82 CO 0.55 0.00 -0.70 0.00 -0.00 0.00 0.00 178.16 178.02 1jyl n ALA 83 N -1.73 3.57 -0.09 0.10 0.00 -1.26 -4.61 120.51 116.50 1jyl n ALA 83 Ca -0.01 -0.36 -0.20 0.00 0.00 0.00 0.00 53.44 52.87 1jyl n ALA 83 Cb 0.64 -0.47 -0.12 0.00 0.00 0.00 0.00 19.45 19.50 1jyl n ALA 83 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1jyl h ASP 84 N 0.00 0.02 -2.52 0.00 3.32 0.22 -3.49 116.42 113.98 1jyl h ASP 84 Ca 0.00 -0.65 -0.61 0.00 0.02 0.00 0.00 57.03 55.79 1jyl h ASP 84 Cb 0.33 -0.01 -0.13 0.00 0.22 0.00 0.00 39.33 39.74 1jyl h ASP 84 CO 0.00 1.37 -0.73 -0.31 -1.72 0.00 0.00 179.24 177.85 1jyl s TYR 85 N -2.33 2.48 0.86 4.55 2.02 -0.65 -4.94 117.35 119.35 1jyl s TYR 85 Ca -0.26 -0.28 -0.12 0.00 -0.37 0.00 0.00 57.07 56.04 1jyl s TYR 85 Cb 0.03 -1.13 0.11 0.00 -0.40 0.00 0.00 41.96 40.57 1jyl s TYR 85 CO 0.63 0.62 1.10 1.21 -1.57 0.00 0.00 175.55 177.53 1jyl s ASN 86 N -3.29 3.85 0.00 2.29 3.84 0.16 -4.70 114.94 117.09 1jyl s ASN 86 Ca 0.28 1.29 0.00 0.00 0.21 0.00 0.00 52.86 54.64 1jyl s ASN 86 Cb -0.07 -1.97 0.00 0.00 -0.55 0.00 0.00 41.25 38.66 1jyl s ASN 86 CO 0.16 -2.37 0.21 -0.46 -2.79 0.00 0.00 177.10 171.85 1jyl n ASN 87 N -3.69 0.00 0.07 -4.21 0.23 -1.26 -2.22 115.26 104.18 1jyl n ASN 87 Ca 0.07 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 54.00 1jyl n ASN 87 Cb 0.57 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.20 1jyl n ASN 87 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1jyl h PHE 88 N 0.00 -0.12 -0.61 -2.53 3.04 -1.37 -2.34 116.94 113.01 1jyl h PHE 88 Ca 0.00 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1jyl h PHE 88 Cb 0.00 0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.53 1jyl h PHE 88 CO 0.00 -0.07 0.31 -0.92 -2.02 0.00 0.00 178.31 175.61 1jyl h TYR 89 N -0.11 0.84 -0.78 0.41 3.20 -1.68 -0.68 116.97 118.17 1jyl h TYR 89 Ca 0.00 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.92 1jyl h TYR 89 Cb 0.10 -0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.05 1jyl h TYR 89 CO -0.10 0.60 0.47 0.77 -1.64 0.00 0.00 178.16 178.26 1jyl h SER 90 N 0.86 0.72 0.32 -2.11 0.02 -1.60 -2.33 113.55 109.43 1jyl h SER 90 Ca 0.22 0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 60.96 1jyl h SER 90 Cb 0.06 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1jyl h SER 90 CO -0.03 0.46 -0.94 0.25 -1.14 0.00 0.00 176.83 175.43 1jyl h LEU 91 N 0.85 0.55 -0.77 5.07 5.85 -1.01 -3.23 115.31 122.62 1jyl h LEU 91 Ca 0.35 -0.43 0.18 0.00 0.84 0.00 0.00 57.88 58.81 1jyl h LEU 91 Cb 0.19 -0.17 -0.12 0.00 0.37 0.00 0.00 40.66 40.93 1jyl h LEU 91 CO -0.18 1.23 0.19 0.22 -0.34 0.00 0.00 178.44 179.56 1jyl h TYR 92 N 0.24 0.28 -0.90 1.25 3.20 -0.61 0.19 116.97 120.62 1jyl h TYR 92 Ca -0.08 0.04 0.22 0.00 3.14 0.00 0.00 58.73 62.06 1jyl h TYR 92 Cb 1.57 -0.01 -0.13 0.00 1.54 0.00 0.00 36.73 39.71 1jyl h TYR 92 CO 0.06 -0.11 0.39 -0.07 -1.64 0.00 0.00 178.16 176.79 1jyl h LEU 93 N 0.26 0.32 -3.36 2.82 3.38 -1.48 -0.73 115.31 116.51 1jyl h LEU 93 Ca 0.45 0.16 -0.21 0.00 0.09 0.00 0.00 57.88 58.36 1jyl h LEU 93 Cb 0.79 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 41.55 1jyl h LEU 93 CO -0.55 -0.01 -0.18 1.33 0.09 0.00 0.00 178.44 179.12 1jyl n VAL 94 N -5.05 2.55 0.19 1.22 0.24 0.40 -4.75 118.33 113.13 1jyl n VAL 94 Ca 0.22 -2.99 0.11 0.00 -2.04 0.00 0.00 64.34 59.64 1jyl n VAL 94 Cb 0.66 -0.42 0.59 0.00 -1.47 0.00 0.00 33.84 33.20 1jyl n VAL 94 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1jyl h LYS 95 N 1.15 0.00 0.00 7.34 2.10 0.73 -1.07 116.57 126.82 1jyl h LYS 95 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 1jyl h LYS 95 Cb 1.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.85 1jyl h LYS 95 CO 0.42 0.00 -0.90 0.39 -2.00 0.00 0.00 179.45 177.35 1jyl n GLU 96 N -2.31 0.40 -0.14 0.07 -0.58 -1.26 -3.86 120.64 112.95 1jyl n GLU 96 Ca -0.01 0.06 0.10 0.00 -0.42 0.00 0.00 57.16 56.89 1jyl n GLU 96 Cb 0.16 -1.69 0.29 0.00 -0.57 0.00 0.00 31.44 29.63 1jyl n GLU 96 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1jyl n GLU 97 N -2.24 2.02 0.18 3.49 -0.58 -0.40 -4.49 120.64 118.61 1jyl n GLU 97 Ca 0.02 -1.54 -0.17 0.00 -0.42 0.00 0.00 57.16 55.05 1jyl n GLU 97 Cb 0.48 -1.42 -0.09 0.00 -0.57 0.00 0.00 31.44 29.83 1jyl n GLU 97 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1jyl h LEU 98 N 2.95 -1.44 -6.75 -4.62 5.85 -1.67 -3.43 115.31 106.21 1jyl h LEU 98 Ca 0.00 0.14 -0.59 0.00 0.84 0.00 0.00 57.88 58.27 1jyl h LEU 98 Cb 0.65 0.51 0.04 0.00 0.37 0.00 0.00 40.66 42.23 1jyl h LEU 98 CO 0.00 -0.58 0.04 0.00 -0.34 0.00 0.00 178.44 177.56 1jyl n ALA 99 N -2.87 -2.87 -3.96 1.25 0.00 -1.26 -1.83 120.51 108.98 1jyl n ALA 99 Ca -0.09 0.45 -0.32 0.00 0.00 0.00 0.00 53.44 53.47 1jyl n ALA 99 Cb 0.42 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 1jyl n ALA 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jyl n ASN 100 N 1.13 -2.23 -3.79 0.00 3.02 0.22 -4.82 115.26 108.80 1jyl n ASN 100 Ca 0.15 -1.11 -0.12 0.00 -0.03 0.00 0.00 54.58 53.47 1jyl n ASN 100 Cb 0.06 -2.66 -0.09 0.00 -0.61 0.00 0.00 39.78 36.48 1jyl n ASN 100 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1jyl s SER 101 N -3.97 -0.11 0.24 6.41 1.04 -0.76 -2.75 113.70 113.80 1jyl s SER 101 Ca 0.23 -0.05 -0.24 0.00 0.48 0.00 0.00 55.95 56.37 1jyl s SER 101 Cb -0.10 0.29 -0.09 0.00 0.10 0.00 0.00 66.02 66.22 1jyl s SER 101 CO 0.91 -0.45 0.82 -0.31 0.98 0.00 0.00 173.24 175.19 1jyl s TYR 102 N -1.55 3.75 -0.20 5.02 2.02 -0.23 -1.96 117.35 124.20 1jyl s TYR 102 Ca -0.12 1.61 -0.00 0.00 -0.37 0.00 0.00 57.07 58.19 1jyl s TYR 102 Cb -0.05 -2.78 0.02 0.00 -0.40 0.00 0.00 41.96 38.75 1jyl s TYR 102 CO 0.02 0.35 -0.14 0.08 -1.57 0.00 0.00 175.55 174.29 1jyl s VAL 103 N -1.44 2.45 -0.10 0.71 1.01 0.25 0.09 120.40 123.37 1jyl s VAL 103 Ca 0.43 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1jyl s VAL 103 Cb -0.20 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.09 1jyl s VAL 103 CO 0.24 0.44 -0.21 -0.63 0.00 0.00 0.00 175.10 174.94 1jyl s ILE 104 N 1.32 1.88 -0.37 2.22 1.01 -0.04 -2.07 121.20 125.15 1jyl s ILE 104 Ca 0.04 -0.90 -0.28 0.00 0.00 0.00 0.00 60.65 59.51 1jyl s ILE 104 Cb -0.14 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.70 1jyl s ILE 104 CO -0.09 0.52 1.04 -1.81 0.00 0.00 0.00 174.94 174.60 1jyl s ASP 105 N 0.55 6.78 0.57 3.58 1.01 -0.71 -0.42 116.67 128.02 1jyl s ASP 105 Ca -0.15 0.75 0.28 0.00 0.71 0.00 0.00 52.55 54.15 1jyl s ASP 105 Cb -0.17 -2.52 1.52 0.00 1.01 0.00 0.00 42.92 42.76 1jyl s ASP 105 CO 0.05 -0.96 2.00 0.00 0.21 0.00 0.00 175.17 176.47 1jyl h ALA 106 N 8.49 2.13 -0.24 5.23 0.00 -1.46 -3.27 119.26 130.14 1jyl h ALA 106 Ca -0.22 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.40 1jyl h ALA 106 Cb 1.07 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.78 1jyl h ALA 106 CO 1.04 -0.54 0.05 -0.40 0.00 0.00 0.00 179.25 179.40 1jyl n ASP 107 N -3.94 5.84 -3.91 0.00 5.75 -1.26 -4.48 116.55 114.55 1jyl n ASP 107 Ca 0.06 -2.79 -0.12 0.00 -0.01 0.00 0.00 54.79 51.93 1jyl n ASP 107 Cb 0.52 -1.25 -0.13 0.00 -1.03 0.00 0.00 41.12 39.23 1jyl n ASP 107 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1jyl s ASN 108 N 1.19 0.16 -0.06 -1.12 -0.87 -1.23 -3.31 114.94 109.69 1jyl s ASN 108 Ca 0.47 -0.14 -0.07 0.00 -1.57 0.00 0.00 52.86 51.56 1jyl s ASN 108 Cb 0.27 0.01 -0.04 0.00 -0.02 0.00 0.00 41.25 41.47 1jyl s ASN 108 CO -0.07 -0.06 0.20 -0.47 -2.57 0.00 0.00 177.10 174.13 1jyl s TYR 109 N -0.37 3.59 -0.22 2.20 6.14 0.27 -4.88 117.35 124.08 1jyl s TYR 109 Ca -0.03 0.54 -0.02 0.00 0.64 0.00 0.00 57.07 58.19 1jyl s TYR 109 Cb -0.03 -1.95 0.01 0.00 0.42 0.00 0.00 41.96 40.41 1jyl s TYR 109 CO -0.00 0.69 -0.09 -0.51 0.64 0.00 0.00 175.55 176.27 1jyl s LEU 110 N -1.38 2.81 0.21 6.97 1.43 -1.26 -0.28 118.68 127.17 1jyl s LEU 110 Ca 0.21 -0.63 0.08 0.00 -1.03 0.00 0.00 54.13 52.76 1jyl s LEU 110 Cb -0.13 -1.64 0.12 0.00 0.03 0.00 0.00 46.19 44.56 1jyl s LEU 110 CO 0.10 -0.05 1.47 -0.26 0.23 0.00 0.00 176.35 177.84 1jyl h PHE 111 N 8.03 0.03 -4.07 0.29 0.04 0.20 -3.46 116.94 118.00 1jyl h PHE 111 Ca -0.39 -0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.21 1jyl h PHE 111 Cb 1.14 -0.00 -0.19 0.00 2.20 0.00 0.00 35.95 39.10 1jyl h PHE 111 CO 0.55 0.79 -0.69 -1.59 -0.60 0.00 0.00 178.31 176.78 1jyl s LYS 112 N -3.25 0.43 -0.83 1.51 -2.85 -1.23 -4.99 119.74 108.54 1jyl s LYS 112 Ca -0.01 -0.85 -0.25 0.00 -1.00 0.00 0.00 55.97 53.86 1jyl s LYS 112 Cb 0.11 0.15 0.02 0.00 -2.06 0.00 0.00 37.83 36.06 1jyl s LYS 112 CO 0.79 -0.08 1.49 1.21 0.10 0.00 0.00 175.35 178.87 1jyl s ASN 113 N -2.04 6.02 -0.45 0.03 3.84 -1.26 -4.81 114.94 116.27 1jyl s ASN 113 Ca -0.07 -0.67 0.04 0.00 0.21 0.00 0.00 52.86 52.37 1jyl s ASN 113 Cb -0.03 -2.56 0.65 0.00 -0.55 0.00 0.00 41.25 38.76 1jyl s ASN 113 CO -0.05 -1.91 1.89 1.15 -2.79 0.00 0.00 177.10 175.39 1jyl n MET 114 N 9.14 2.24 -3.93 0.43 0.00 -1.26 -4.95 117.12 118.80 1jyl n MET 114 Ca 0.19 -3.04 -0.35 0.00 0.00 0.00 0.00 57.70 54.50 1jyl n MET 114 Cb 0.50 -2.16 -0.06 0.00 0.00 0.00 0.00 33.22 31.50 1jyl n MET 114 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1jyl s PHE 115 N -3.32 3.53 -0.03 3.17 0.08 -1.26 -5.10 117.98 115.05 1jyl s PHE 115 Ca 0.56 0.41 -0.08 0.00 0.12 0.00 0.00 56.93 57.94 1jyl s PHE 115 Cb 0.48 -1.86 0.01 0.00 -0.57 0.00 0.00 43.02 41.07 1jyl s PHE 115 CO 0.10 0.67 0.19 -0.98 -0.10 0.00 0.00 175.22 175.09 1jyl s ARG 116 N -1.52 0.43 -0.20 0.44 1.70 -1.26 -4.91 118.95 113.62 1jyl s ARG 116 Ca 0.22 -0.13 0.15 0.00 -0.47 0.00 0.00 55.73 55.50 1jyl s ARG 116 Cb -0.12 0.19 0.79 0.00 -0.57 0.00 0.00 34.95 35.24 1jyl s ARG 116 CO 0.12 -0.10 1.72 0.27 -1.08 0.00 0.00 175.30 176.23 1jyl n ASN 117 N 1.95 5.46 -0.34 -2.89 6.94 -1.26 -4.06 115.26 121.06 1jyl n ASN 117 Ca -0.19 -2.79 0.05 0.00 -0.02 0.00 0.00 54.58 51.63 1jyl n ASN 117 Cb 0.57 -0.66 0.02 0.00 -2.36 0.00 0.00 39.78 37.35 1jyl n ASN 117 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1jyl n ASP 118 N 0.77 1.58 -4.50 0.53 5.68 -1.26 -4.89 116.55 114.46 1jyl n ASP 118 Ca 0.27 -1.29 -0.40 0.00 -0.50 0.00 0.00 54.79 52.88 1jyl n ASP 118 Cb 1.11 0.23 0.03 0.00 -1.14 0.00 0.00 41.12 41.35 1jyl n ASP 118 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1jyl n LEU 119 N 0.19 1.06 0.00 -2.12 7.99 -1.26 -4.90 117.00 117.96 1jyl n LEU 119 Ca 0.05 0.84 0.00 0.00 -0.01 0.00 0.00 56.01 56.89 1jyl n LEU 119 Cb 0.25 -1.20 0.00 0.00 -0.11 0.00 0.00 43.42 42.36 1jyl n LEU 119 CO 0.10 -2.66 -0.05 0.35 -1.51 0.00 0.00 177.39 173.62 1jyl n THR 120 N -1.26 0.00 -4.10 -5.08 -2.24 -1.26 -5.08 114.28 95.26 1jyl n THR 120 Ca 0.11 -0.21 -0.07 0.00 -2.27 0.00 0.00 64.05 61.61 1jyl n THR 120 Cb 0.44 0.87 -0.10 0.00 -2.10 0.00 0.00 70.33 69.43 1jyl n THR 120 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jyl s ARG 121 N -0.60 0.65 0.11 -0.78 1.70 -1.26 -4.90 118.95 113.86 1jyl s ARG 121 Ca 0.00 -1.24 -0.33 0.00 -0.47 0.00 0.00 55.73 53.69 1jyl s ARG 121 Cb 0.00 0.18 -0.12 0.00 -0.57 0.00 0.00 34.95 34.44 1jyl s ARG 121 CO 0.00 -0.11 1.75 0.43 -1.08 0.00 0.00 175.30 176.29 1jyl n SER 122 N 0.09 3.63 -4.09 -2.89 7.64 -1.26 -4.70 113.62 112.03 1jyl n SER 122 Ca -0.13 1.02 -0.15 0.00 1.01 0.00 0.00 58.87 60.61 1jyl n SER 122 Cb 0.61 -1.48 -0.12 0.00 -1.01 0.00 0.00 64.21 62.21 1jyl n SER 122 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jyl s THR 123 N 2.23 0.75 -0.26 0.44 2.01 -0.37 -0.58 115.64 119.86 1jyl s THR 123 Ca 0.82 -1.07 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 1jyl s THR 123 Cb -0.58 -0.76 0.03 0.00 0.01 0.00 0.00 72.50 71.20 1jyl s THR 123 CO 0.39 -0.26 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.72 1jyl s TYR 124 N -1.20 3.11 -0.74 4.92 2.02 -0.10 -0.90 117.35 124.46 1jyl s TYR 124 Ca -0.06 -1.53 -0.23 0.00 -0.37 0.00 0.00 57.07 54.89 1jyl s TYR 124 Cb -0.09 -2.09 0.07 0.00 -0.40 0.00 0.00 41.96 39.45 1jyl s TYR 124 CO 0.01 -0.72 1.06 -0.06 -1.57 0.00 0.00 175.55 174.27 1jyl s PHE 125 N 1.34 2.68 0.29 2.71 2.99 -0.73 -1.55 117.98 125.71 1jyl s PHE 125 Ca -0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 56.93 56.19 1jyl s PHE 125 Cb -0.17 -4.36 -0.07 0.00 0.00 0.00 0.00 43.02 38.42 1jyl s PHE 125 CO -0.03 -1.70 0.61 0.45 -0.00 0.00 0.00 175.22 174.55 1jyl s SER 126 N 3.77 6.58 0.11 1.36 0.15 -1.06 -4.32 113.70 120.29 1jyl s SER 126 Ca 0.27 0.94 0.10 0.00 0.70 0.00 0.00 55.95 57.96 1jyl s SER 126 Cb -0.13 -2.24 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 1jyl s SER 126 CO 0.06 -0.18 -0.25 0.68 1.20 0.00 0.00 173.24 174.75 1jyl s VAL 127 N -2.00 2.09 -0.16 4.45 -7.23 -1.25 0.13 120.40 116.43 1jyl s VAL 127 Ca 0.48 -1.63 -0.16 0.00 -1.81 0.00 0.00 61.98 58.86 1jyl s VAL 127 Cb -0.11 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 1jyl s VAL 127 CO 0.25 0.10 0.38 -0.47 -0.31 0.00 0.00 175.10 175.04 1jyl s TYR 128 N -1.04 3.45 -0.46 2.82 5.04 -1.26 -2.61 117.35 123.30 1jyl s TYR 128 Ca 0.12 0.68 -0.13 0.00 -2.44 0.00 0.00 57.07 55.30 1jyl s TYR 128 Cb -0.10 -2.46 0.08 0.00 0.35 0.00 0.00 41.96 39.83 1jyl s TYR 128 CO 0.05 0.14 0.35 1.03 -1.34 0.00 0.00 175.55 175.77 1jyl s ARG 129 N 0.79 2.83 0.29 4.97 0.52 0.37 -4.91 118.95 123.82 1jyl s ARG 129 Ca 0.20 -1.41 0.04 0.00 -0.52 0.00 0.00 55.73 54.04 1jyl s ARG 129 Cb -0.14 -4.01 0.45 0.00 0.52 0.00 0.00 34.95 31.77 1jyl s ARG 129 CO 0.07 -1.02 1.72 1.49 0.02 0.00 0.00 175.30 177.59 1jyl h GLU 130 N 8.63 0.38 0.00 3.54 4.22 -1.94 -1.93 114.58 127.48 1jyl h GLU 130 Ca -0.26 -0.15 0.00 0.00 0.08 0.00 0.00 59.36 59.02 1jyl h GLU 130 Cb 1.10 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1jyl h GLU 130 CO 0.84 0.65 0.00 -0.40 -2.18 0.00 0.00 179.01 177.92 1jyl n ASP 131 N -4.10 0.00 -3.15 1.04 5.75 -1.26 -4.79 116.55 110.04 1jyl n ASP 131 Ca -0.01 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.81 1jyl n ASP 131 Cb 0.42 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1jyl n ASP 131 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jyl s THR 133 N 2.80 0.76 -0.22 0.00 2.01 -1.12 -4.62 115.64 115.25 1jyl s THR 133 Ca 0.10 -2.00 -0.15 0.00 0.31 0.00 0.00 61.69 59.95 1jyl s THR 133 Cb -0.10 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 1jyl s THR 133 CO -0.25 0.00 0.38 0.54 -0.69 0.00 0.00 174.62 174.60 1jyl s ASN 134 N -3.71 6.39 0.00 3.53 2.20 -1.26 -0.89 114.94 121.20 1jyl s ASN 134 Ca 0.17 0.46 0.00 0.00 -0.94 0.00 0.00 52.86 52.54 1jyl s ASN 134 Cb 0.02 -2.22 0.00 0.00 -2.00 0.00 0.00 41.25 37.05 1jyl s ASN 134 CO 0.10 -0.09 0.00 -0.62 -2.94 0.00 0.00 177.10 173.55 1jyl n GLU 135 N 4.64 0.00 -3.93 3.55 -0.58 0.20 -4.92 120.64 119.60 1jyl n GLU 135 Ca -0.09 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.30 1jyl n GLU 135 Cb 0.51 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 31.26 1jyl n GLU 135 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1jyl s TRP 136 N -3.03 3.07 -0.13 -0.32 0.52 -1.26 -1.34 118.94 116.45 1jyl s TRP 136 Ca 0.00 -0.42 -0.05 0.00 0.02 0.00 0.00 56.10 55.66 1jyl s TRP 136 Cb 0.00 -2.15 -0.04 0.00 -1.15 0.00 0.00 33.47 30.14 1jyl s TRP 136 CO 0.00 -0.27 0.03 -0.06 0.02 0.00 0.00 176.95 176.68 1jyl s PHE 137 N 1.21 3.23 -0.35 -1.98 0.08 0.28 -1.40 117.98 119.06 1jyl s PHE 137 Ca 0.04 0.13 -0.22 0.00 0.12 0.00 0.00 56.93 57.00 1jyl s PHE 137 Cb -0.14 -1.92 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 1jyl s PHE 137 CO 0.02 0.34 0.71 -0.51 -0.10 0.00 0.00 175.22 175.68 1jyl s LEU 138 N -0.33 4.18 -0.51 -0.37 1.43 0.33 -0.91 118.68 122.50 1jyl s LEU 138 Ca 0.08 0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 53.29 1jyl s LEU 138 Cb -0.12 -2.91 0.08 0.00 0.03 0.00 0.00 46.19 43.27 1jyl s LEU 138 CO 0.02 -0.65 0.53 -0.69 0.23 0.00 0.00 176.35 175.79 1jyl s VAL 139 N 2.89 5.06 0.05 -1.59 1.01 0.68 -4.69 120.40 123.80 1jyl s VAL 139 Ca 0.28 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1jyl s VAL 139 Cb -0.14 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1jyl s VAL 139 CO 0.15 -0.77 -0.03 -0.72 0.00 0.00 0.00 175.10 173.73 1jyl s TYR 140 N 2.10 0.50 0.00 5.22 -0.85 -1.26 0.40 117.35 123.46 1jyl s TYR 140 Ca 0.08 -0.96 0.00 0.00 -0.52 0.00 0.00 57.07 55.68 1jyl s TYR 140 Cb -0.23 -0.36 0.00 0.00 0.38 0.00 0.00 41.96 41.74 1jyl s TYR 140 CO 0.08 -0.33 0.00 0.41 -1.52 0.00 0.00 175.55 174.19 1jyl n GLY 141 N 0.39 1.44 0.03 5.49 0.00 -1.24 -4.92 105.19 106.38 1jyl n GLY 141 Ca -0.16 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.28 1jyl n GLY 141 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jyl n ASP 142 N 0.00 0.36 0.03 1.61 9.92 -1.26 -3.03 116.55 124.19 1jyl n ASP 142 Ca 0.00 -0.10 0.12 0.00 -0.53 0.00 0.00 54.79 54.28 1jyl n ASP 142 Cb 0.00 -0.05 0.17 0.00 -0.64 0.00 0.00 41.12 40.60 1jyl n ASP 142 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1jyl n ASP 143 N -1.36 0.61 -0.03 -2.24 5.68 -1.26 -4.92 116.55 113.03 1jyl n ASP 143 Ca 0.08 -0.07 -0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1jyl n ASP 143 Cb 0.33 0.32 -0.00 0.00 -1.14 0.00 0.00 41.12 40.63 1jyl n ASP 143 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1jyl n TYR 144 N -1.87 0.00 -2.61 2.11 4.01 -1.17 -4.92 117.16 112.71 1jyl n TYR 144 Ca 0.04 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.36 1jyl n TYR 144 Cb 0.40 -0.71 -0.03 0.00 -0.31 0.00 0.00 39.34 38.70 1jyl n TYR 144 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1jyl s LYS 145 N -0.77 4.53 0.01 -0.72 2.47 -1.26 -1.04 119.74 122.96 1jyl s LYS 145 Ca 0.00 1.55 -0.30 0.00 -1.56 0.00 0.00 55.97 55.66 1jyl s LYS 145 Cb 0.00 -3.40 -0.06 0.00 -1.46 0.00 0.00 37.83 32.91 1jyl s LYS 145 CO 0.00 -0.09 1.43 0.08 0.16 0.00 0.00 175.35 176.93 1jyl s VAL 146 N 0.86 3.62 -0.22 4.02 1.01 0.39 -3.66 120.40 126.42 1jyl s VAL 146 Ca 0.54 1.02 0.12 0.00 0.00 0.00 0.00 61.98 63.66 1jyl s VAL 146 Cb -0.24 -3.66 -0.22 0.00 0.00 0.00 0.00 36.38 32.26 1jyl s VAL 146 CO 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 175.10 175.35 1jyl n GLN 147 N 5.35 0.68 -3.46 2.72 1.13 0.16 -4.68 117.38 119.27 1jyl n GLN 147 Ca 0.13 0.05 -0.12 0.00 -1.94 0.00 0.00 57.00 55.13 1jyl n GLN 147 Cb 0.43 -1.52 -0.02 0.00 0.11 0.00 0.00 30.24 29.24 1jyl n GLN 147 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1jyl s ASP 148 N -5.87 -0.54 -0.09 1.08 2.15 -0.85 -4.80 116.67 107.76 1jyl s ASP 148 Ca -0.19 -0.06 -0.01 0.00 0.43 0.00 0.00 52.55 52.72 1jyl s ASP 148 Cb 0.07 0.61 0.03 0.00 -0.30 0.00 0.00 42.92 43.33 1jyl s ASP 148 CO 0.75 -1.00 -0.00 -0.63 -0.17 0.00 0.00 175.17 174.11 1jyl s ILE 149 N -3.77 0.46 -0.01 4.11 1.01 -1.26 -0.23 121.20 121.52 1jyl s ILE 149 Ca 0.02 0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.77 1jyl s ILE 149 Cb -0.01 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 41.81 1jyl s ILE 149 CO -0.11 0.24 -0.22 0.27 0.00 0.00 0.00 174.94 175.12 1jyl s ILE 150 N 1.93 1.75 0.06 2.92 -5.25 -0.09 -4.88 121.20 117.65 1jyl s ILE 150 Ca 0.05 -0.99 -0.22 0.00 -0.99 0.00 0.00 60.65 58.49 1jyl s ILE 150 Cb -0.13 -1.46 -0.06 0.00 2.95 0.00 0.00 42.46 43.76 1jyl s ILE 150 CO -0.06 0.46 0.67 -0.69 -1.79 0.00 0.00 174.94 173.53 1jyl s VAL 151 N -0.56 4.70 -0.08 8.37 1.01 -1.26 0.10 120.40 132.68 1jyl s VAL 151 Ca 0.09 1.44 -0.32 0.00 0.00 0.00 0.00 61.98 63.19 1jyl s VAL 151 Cb -0.09 -4.02 0.13 0.00 0.00 0.00 0.00 36.38 32.41 1jyl s VAL 151 CO -0.00 0.46 1.40 -0.62 0.00 0.00 0.00 175.10 176.33 1jyl s ASP 152 N -0.57 -0.01 -0.25 3.32 -1.08 -0.45 -4.95 116.67 112.67 1jyl s ASP 152 Ca 0.34 -0.04 0.02 0.00 -0.52 0.00 0.00 52.55 52.35 1jyl s ASP 152 Cb -0.20 0.04 0.05 0.00 -1.46 0.00 0.00 42.92 41.35 1jyl s ASP 152 CO 0.21 -0.07 -0.11 -0.44 0.52 0.00 0.00 175.17 175.28 1jyl s SER 153 N -3.24 4.32 0.00 -0.34 0.01 -1.25 0.60 113.70 113.80 1jyl s SER 153 Ca 0.19 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 56.18 1jyl s SER 153 Cb 0.05 -1.56 0.00 0.00 0.21 0.00 0.00 66.02 64.72 1jyl s SER 153 CO -0.05 -0.17 0.00 2.29 0.41 0.00 0.00 173.24 175.72 1jyl n LYS 154 N 4.48 0.00 -3.80 12.44 2.85 -0.07 -4.82 118.16 129.25 1jyl n LYS 154 Ca -0.15 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 56.90 1jyl n LYS 154 Cb 0.43 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.77 1jyl n LYS 154 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jyl s ALA 155 N -1.00 3.84 0.00 0.58 0.00 -1.24 -2.81 121.76 121.13 1jyl s ALA 155 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.20 1jyl s ALA 155 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1jyl s ALA 155 CO 0.00 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.11 1jyl n GLY 156 N -1.38 0.72 3.65 0.00 0.00 -0.73 -4.95 105.19 102.50 1jyl n GLY 156 Ca -0.00 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 1jyl n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jyl s ARG 157 N -2.00 4.03 0.21 1.61 1.81 -1.26 0.14 118.95 123.49 1jyl s ARG 157 Ca 0.00 -0.30 0.09 0.00 -1.72 0.00 0.00 55.73 53.80 1jyl s ARG 157 Cb 0.00 -3.35 -0.05 0.00 -0.45 0.00 0.00 34.95 31.10 1jyl s ARG 157 CO 0.00 0.19 -0.18 0.96 -0.68 0.00 0.00 175.30 175.59 1jyl s ILE 158 N 0.63 2.00 0.04 1.52 -4.36 -1.07 -0.51 121.20 119.44 1jyl s ILE 158 Ca 0.06 -2.13 -0.30 0.00 -0.26 0.00 0.00 60.65 58.01 1jyl s ILE 158 Cb -0.13 -2.03 -0.08 0.00 1.25 0.00 0.00 42.46 41.47 1jyl s ILE 158 CO 0.01 -0.40 1.82 -0.76 0.24 0.00 0.00 174.94 175.85 1jyl s LEU 159 N -3.05 4.39 -0.11 0.37 1.02 -0.49 -3.83 118.68 116.98 1jyl s LEU 159 Ca 0.21 2.56 0.15 0.00 0.02 0.00 0.00 54.13 57.08 1jyl s LEU 159 Cb -0.04 -3.54 0.53 0.00 0.02 0.00 0.00 46.19 43.15 1jyl s LEU 159 CO 0.09 -0.99 1.45 -1.20 0.02 0.00 0.00 176.35 175.72 1jyl n SER 160 N 6.77 3.94 0.00 2.29 7.64 -1.26 -4.83 113.62 128.16 1jyl n SER 160 Ca 0.18 -2.54 0.00 0.00 1.01 0.00 0.00 58.87 57.52 1jyl n SER 160 Cb 0.41 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1jyl n SER 160 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jyl n GLY 161 N 0.33 0.69 3.43 0.23 0.00 -1.26 -4.96 105.19 103.64 1jyl n GLY 161 Ca 0.20 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 1jyl n GLY 161 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jyl s VAL 162 N -2.00 -0.39 0.23 1.61 1.01 -1.26 -1.74 120.40 117.86 1jyl s VAL 162 Ca 0.00 0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 1jyl s VAL 162 Cb 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.61 1jyl s VAL 162 CO 0.00 0.03 0.57 -0.94 0.00 0.00 0.00 175.10 174.77 1jyl s SER 163 N 2.09 -0.24 0.02 3.32 1.04 -0.88 -1.77 113.70 117.29 1jyl s SER 163 Ca -0.07 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 55.80 1jyl s SER 163 Cb -0.09 0.63 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 1jyl s SER 163 CO -0.16 -1.16 -0.11 0.12 0.98 0.00 0.00 173.24 172.92 1jyl s PHE 164 N -3.91 0.93 -0.07 5.02 5.36 -0.08 -0.59 117.98 124.64 1jyl s PHE 164 Ca 0.12 -0.27 0.01 0.00 -0.96 0.00 0.00 56.93 55.83 1jyl s PHE 164 Cb -0.02 -0.57 0.02 0.00 -0.34 0.00 0.00 43.02 42.10 1jyl s PHE 164 CO 0.02 -0.01 -0.08 -1.58 -1.46 0.00 0.00 175.22 172.12 1jyl s TRP 165 N -0.60 1.21 0.51 10.12 0.52 -0.83 -1.24 118.94 128.64 1jyl s TRP 165 Ca 0.01 -0.47 -0.09 0.00 0.02 0.00 0.00 56.10 55.57 1jyl s TRP 165 Cb -0.06 -0.99 -0.04 0.00 -1.15 0.00 0.00 33.47 31.23 1jyl s TRP 165 CO 0.00 -0.32 0.87 0.16 0.02 0.00 0.00 176.95 177.68 1jyl s ASP 166 N 1.13 6.32 0.20 2.95 1.47 -1.26 0.73 116.67 128.21 1jyl s ASP 166 Ca -0.07 1.15 -0.21 0.00 1.18 0.00 0.00 52.55 54.60 1jyl s ASP 166 Cb -0.14 -2.34 0.14 0.00 -0.34 0.00 0.00 42.92 40.24 1jyl s ASP 166 CO -0.01 -0.63 1.56 0.00 0.68 0.00 0.00 175.17 176.76 1jyl h ALA 167 N 0.29 -0.06 -0.58 2.11 0.00 -1.92 0.27 119.26 119.37 1jyl h ALA 167 Ca -0.46 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1jyl h ALA 167 Cb 1.20 1.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.97 1jyl h ALA 167 CO 0.62 -0.72 0.22 -1.00 0.00 0.00 0.00 179.25 178.37 1jyl h PRO 168 N -0.07 0.85 -0.07 0.00 0.13 -1.99 -0.01 132.00 130.84 1jyl h PRO 168 Ca 0.27 -0.14 -0.08 0.00 -0.87 0.00 0.00 66.00 65.19 1jyl h PRO 168 Cb 0.56 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1jyl h PRO 168 CO -0.87 0.71 -0.26 1.15 -0.23 0.00 0.00 178.00 178.50 1jyl h THR 169 N 0.84 1.43 -0.81 1.56 2.02 -1.75 -2.71 112.91 113.48 1jyl h THR 169 Ca 0.20 -1.65 0.11 0.00 0.77 0.00 0.00 66.41 65.84 1jyl h THR 169 Cb 0.19 2.30 -0.08 0.00 -1.74 0.00 0.00 68.15 68.82 1jyl h THR 169 CO -0.02 0.47 0.44 0.00 0.37 0.00 0.00 175.52 176.78 1jyl h ALA 170 N 0.44 1.18 -0.41 6.16 0.00 -0.32 -0.57 119.26 125.74 1jyl h ALA 170 Ca -0.01 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1jyl h ALA 170 Cb 0.89 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1jyl h ALA 170 CO 0.05 -0.00 0.13 1.49 0.00 0.00 0.00 179.25 180.93 1jyl h GLU 171 N 0.69 0.28 -0.52 0.00 4.81 -0.94 0.15 114.58 119.05 1jyl h GLU 171 Ca 0.41 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.54 1jyl h GLU 171 Cb 0.47 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1jyl h GLU 171 CO -0.30 0.18 0.00 0.87 -0.73 0.00 0.00 179.01 179.04 1jyl h LYS 172 N 0.29 0.92 0.56 1.92 1.57 -0.96 -2.99 116.57 117.88 1jyl h LYS 172 Ca 0.19 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1jyl h LYS 172 Cb 0.19 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.42 1jyl h LYS 172 CO -0.20 0.94 -0.27 0.82 -0.57 0.00 0.00 179.45 180.16 1jyl h ILE 173 N 0.79 0.42 -0.70 1.86 2.04 -0.60 -2.72 117.51 118.59 1jyl h ILE 173 Ca 0.15 -0.15 0.20 0.00 1.00 0.00 0.00 64.86 66.06 1jyl h ILE 173 Cb 0.52 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1jyl h ILE 173 CO 0.03 0.02 0.65 0.58 0.00 0.00 0.00 178.15 179.43 1jyl h VAL 174 N -0.86 0.36 0.00 1.67 2.07 -0.75 1.58 116.25 120.32 1jyl h VAL 174 Ca -0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1jyl h VAL 174 Cb 0.62 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1jyl h VAL 174 CO 0.13 0.00 -0.01 -1.28 0.02 0.00 0.00 177.57 176.43 1jyl h SER 175 N 0.00 0.00 0.32 0.57 0.87 -1.33 -2.00 113.55 111.99 1jyl h SER 175 Ca 0.33 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.57 1jyl h SER 175 Cb 1.63 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.57 1jyl h SER 175 CO -0.00 0.01 -1.77 -0.26 -0.53 0.00 0.00 176.83 174.28 1jyl h PHE 176 N 0.00 0.36 0.41 2.24 0.05 0.23 -3.23 116.94 117.00 1jyl h PHE 176 Ca -0.00 -0.26 -0.01 0.00 3.82 0.00 0.00 57.97 61.52 1jyl h PHE 176 Cb 0.80 -0.01 -0.01 0.00 2.00 0.00 0.00 35.95 38.73 1jyl h PHE 176 CO 0.00 1.45 -0.27 0.82 -0.18 0.00 0.00 178.31 180.13 1jyl h ILE 177 N 0.05 0.43 -0.20 -0.55 2.04 -1.02 0.29 117.51 118.56 1jyl h ILE 177 Ca -0.33 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.58 1jyl h ILE 177 Cb 2.03 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 38.47 1jyl h ILE 177 CO 0.11 0.00 -0.40 0.44 0.00 0.00 0.00 178.15 178.30 1jyl h ASP 178 N -0.66 -1.27 -0.60 1.72 3.45 -1.51 0.62 116.42 118.18 1jyl h ASP 178 Ca -0.04 0.18 0.06 0.00 0.43 0.00 0.00 57.03 57.65 1jyl h ASP 178 Cb 0.55 0.53 -0.05 0.00 -0.56 0.00 0.00 39.33 39.80 1jyl h ASP 178 CO 0.03 -0.40 0.32 0.11 -1.57 0.00 0.00 179.24 177.72 1jyl h LYS 179 N -0.43 0.57 0.06 3.56 1.57 -1.54 -1.04 116.57 119.33 1jyl h LYS 179 Ca 0.10 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1jyl h LYS 179 Cb 0.60 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1jyl h LYS 179 CO -0.43 0.38 -0.14 0.00 -0.57 0.00 0.00 179.45 178.69 1jyl h ALA 180 N 1.33 -0.22 0.30 3.86 0.00 0.11 0.24 119.26 124.89 1jyl h ALA 180 Ca 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1jyl h ALA 180 Cb 0.19 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1jyl h ALA 180 CO -0.19 -0.65 -0.40 -0.92 0.00 0.00 0.00 179.25 177.09 1jyl h TYR 181 N -0.27 -1.14 0.00 0.00 5.03 0.60 -1.24 116.97 119.95 1jyl h TYR 181 Ca 0.03 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1jyl h TYR 181 Cb 0.29 0.46 0.00 0.00 1.55 0.00 0.00 36.73 39.03 1jyl h TYR 181 CO -0.16 -0.51 0.00 1.33 -1.32 0.00 0.00 178.16 177.50 1jyl n VAL 182 N -4.81 1.41 0.15 1.81 0.24 -0.43 -1.45 118.33 115.25 1jyl n VAL 182 Ca -0.09 0.56 0.01 0.00 -2.04 0.00 0.00 64.34 62.79 1jyl n VAL 182 Cb 0.35 -1.54 0.33 0.00 -1.47 0.00 0.00 33.84 31.51 1jyl n VAL 182 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1jyl h SER 183 N 0.00 0.10 0.00 -1.34 4.64 0.75 -3.47 113.55 114.24 1jyl h SER 183 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1jyl h SER 183 Cb 0.05 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1jyl h SER 183 CO 0.00 0.44 0.00 0.61 -0.87 0.00 0.00 176.83 177.01 1jyl n GLY 184 N -0.47 0.26 2.92 -0.77 0.00 -0.53 -5.03 105.19 101.56 1jyl n GLY 184 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1jyl n GLY 184 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jyl s GLU 185 N -0.92 1.58 0.00 1.61 2.02 -1.26 -4.86 118.70 116.87 1jyl s GLU 185 Ca 0.00 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.17 1jyl s GLU 185 Cb 0.00 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 31.83 1jyl s GLU 185 CO 0.00 -0.53 0.00 1.97 0.02 0.00 0.00 175.26 176.72 1jyl n PHE 186 N 4.75 0.00 -0.27 1.61 -1.74 -1.26 -4.85 117.46 115.70 1jyl n PHE 186 Ca -0.12 0.00 0.05 0.00 -0.56 0.00 0.00 57.45 56.81 1jyl n PHE 186 Cb 0.45 0.12 0.19 0.00 1.52 0.00 0.00 39.48 41.76 1jyl n PHE 186 CO 0.00 0.00 0.00 0.28 -0.56 0.00 0.00 176.76 176.48 1jyl h VAL 187 N 2.07 0.76 -0.02 1.97 2.07 -1.94 -2.57 116.25 118.58 1jyl h VAL 187 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1jyl h VAL 187 Cb 0.70 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1jyl h VAL 187 CO 0.00 0.11 -0.21 0.47 0.02 0.00 0.00 177.57 177.96 1jyl n ASP 188 N -4.89 2.55 -4.69 0.57 10.43 -1.26 0.38 116.55 119.64 1jyl n ASP 188 Ca 0.14 -1.78 -0.42 0.00 2.57 0.00 0.00 54.79 55.30 1jyl n ASP 188 Cb 0.37 0.21 -0.03 0.00 1.84 0.00 0.00 41.12 43.51 1jyl n ASP 188 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1jyl s LEU 189 N -2.21 4.29 0.57 0.64 1.43 -0.97 -4.78 118.68 117.65 1jyl s LEU 189 Ca 0.24 1.89 -0.18 0.00 -1.03 0.00 0.00 54.13 55.05 1jyl s LEU 189 Cb 0.19 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.81 1jyl s LEU 189 CO 0.42 -0.62 1.08 -0.31 0.23 0.00 0.00 176.35 177.15 1jyl s TYR 190 N 2.30 2.82 0.57 0.29 1.51 -1.26 -1.14 117.35 122.44 1jyl s TYR 190 Ca 0.58 1.54 0.27 0.00 -1.01 0.00 0.00 57.07 58.46 1jyl s TYR 190 Cb -0.26 -3.13 1.71 0.00 -0.11 0.00 0.00 41.96 40.17 1jyl s TYR 190 CO 0.23 -1.30 2.23 0.11 -1.11 0.00 0.00 175.55 175.71 1jyl h TRP 191 N 0.82 0.00 0.00 2.71 5.08 -1.85 0.17 115.95 122.88 1jyl h TRP 191 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.49 1jyl h TRP 191 Cb 1.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 1jyl h TRP 191 CO 0.55 0.01 0.00 -0.44 -1.28 0.00 0.00 178.44 177.28 1jyl h ASP 192 N 0.00 0.00 0.38 0.11 3.32 -1.92 -1.82 116.42 116.49 1jyl h ASP 192 Ca -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1jyl h ASP 192 Cb 0.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1jyl h ASP 192 CO 0.00 0.00 -0.21 0.78 -1.72 0.00 0.00 179.24 178.09 1jyl h ASN 193 N 0.00 0.00 -0.40 6.45 4.21 -1.01 -2.06 115.58 122.77 1jyl h ASN 193 Ca 0.00 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.46 1jyl h ASN 193 Cb 0.19 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.37 1jyl h ASN 193 CO 0.00 0.21 0.11 0.24 -1.29 0.00 0.00 177.43 176.70 1jyl h MET 194 N 0.00 0.72 0.00 0.81 2.86 -1.48 -0.59 114.93 117.24 1jyl h MET 194 Ca -0.00 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1jyl h MET 194 Cb 0.46 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1jyl h MET 194 CO 0.03 0.66 -0.06 0.28 1.06 0.00 0.00 176.91 178.88 1jyl h VAL 195 N 0.69 0.11 -0.95 -2.22 2.07 -1.62 -3.28 116.25 111.07 1jyl h VAL 195 Ca 0.16 -1.09 0.23 0.00 0.82 0.00 0.00 66.70 66.82 1jyl h VAL 195 Cb 0.27 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 30.19 1jyl h VAL 195 CO -0.00 0.04 0.63 0.50 0.02 0.00 0.00 177.57 178.76 1jyl h LYS 196 N -1.00 0.34 -0.40 1.57 3.64 -1.42 0.40 116.57 119.70 1jyl h LYS 196 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1jyl h LYS 196 Cb 0.12 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1jyl h LYS 196 CO -0.00 0.23 0.00 -0.25 -2.27 0.00 0.00 179.45 177.16 1jyl n ASP 197 N -4.50 2.44 -0.87 4.20 9.92 -0.23 -3.79 116.55 123.71 1jyl n ASP 197 Ca 0.21 -1.94 -0.00 0.00 -0.53 0.00 0.00 54.79 52.53 1jyl n ASP 197 Cb 0.79 -0.26 -0.01 0.00 -0.64 0.00 0.00 41.12 41.00 1jyl n ASP 197 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1jyl n ASN 198 N 0.83 0.09 0.10 -2.24 3.02 -0.32 -4.91 115.26 111.84 1jyl n ASN 198 Ca 0.16 -1.78 0.18 0.00 -0.03 0.00 0.00 54.58 53.11 1jyl n ASN 198 Cb 0.40 -0.09 0.74 0.00 -0.61 0.00 0.00 39.78 40.23 1jyl n ASN 198 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1jyl h ILE 199 N 6.19 0.59 -0.24 2.41 6.09 -0.37 -0.89 117.51 131.29 1jyl h ILE 199 Ca -0.17 0.00 -0.08 0.00 -1.37 0.00 0.00 64.86 63.24 1jyl h ILE 199 Cb 1.45 0.77 -0.01 0.00 0.47 0.00 0.00 36.82 39.50 1jyl h ILE 199 CO -0.03 0.00 -0.19 0.11 -3.07 0.00 0.00 178.15 174.97 1jyl h LYS 200 N 0.00 0.42 -0.16 2.19 6.56 -1.87 -2.70 116.57 121.01 1jyl h LYS 200 Ca 0.17 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1jyl h LYS 200 Cb 0.78 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.40 1jyl h LYS 200 CO -0.00 0.60 0.00 0.39 -2.06 0.00 0.00 179.45 178.38 1jyl n GLU 201 N -4.17 1.76 -4.34 3.15 1.02 -0.35 -4.93 120.64 112.78 1jyl n GLU 201 Ca -0.00 -1.13 -0.24 0.00 -0.02 0.00 0.00 57.16 55.77 1jyl n GLU 201 Cb 0.35 -1.41 -0.13 0.00 -0.02 0.00 0.00 31.44 30.24 1jyl n GLU 201 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1jyl s LEU 202 N -1.61 2.27 -0.55 -4.62 1.43 -1.02 -5.07 118.68 109.51 1jyl s LEU 202 Ca 0.33 -0.65 -0.10 0.00 -1.03 0.00 0.00 54.13 52.69 1jyl s LEU 202 Cb 0.18 -0.86 0.14 0.00 0.03 0.00 0.00 46.19 45.68 1jyl s LEU 202 CO 0.27 0.06 0.44 -1.81 0.23 0.00 0.00 176.35 175.54 1jyl s ASP 203 N -1.75 5.85 -0.01 2.29 -0.00 -1.26 -4.93 116.67 116.85 1jyl s ASP 203 Ca 0.06 -2.15 0.08 0.00 -0.00 0.00 0.00 52.55 50.54 1jyl s ASP 203 Cb -0.10 -2.04 -0.02 0.00 -0.00 0.00 0.00 42.92 40.76 1jyl s ASP 203 CO 0.04 -0.65 -0.25 -0.69 -0.00 0.00 0.00 175.17 173.61 1jyl s VAL 204 N 1.01 2.12 0.24 -1.27 1.01 -1.26 -4.40 120.40 117.84 1jyl s VAL 204 Ca 0.09 -1.13 0.11 0.00 0.00 0.00 0.00 61.98 61.05 1jyl s VAL 204 Cb -0.23 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1jyl s VAL 204 CO -0.02 0.55 -0.13 -0.31 0.00 0.00 0.00 175.10 175.19 1jyl s TYR 205 N -0.64 2.47 0.10 5.22 1.51 0.26 0.15 117.35 126.42 1jyl s TYR 205 Ca 0.10 -0.28 0.03 0.00 -1.01 0.00 0.00 57.07 55.91 1jyl s TYR 205 Cb -0.10 -1.14 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 1jyl s TYR 205 CO -0.01 0.61 0.14 0.08 -1.11 0.00 0.00 175.55 175.27 1jyl s VAL 206 N -2.13 4.79 -0.43 0.71 1.01 -0.21 -0.93 120.40 123.22 1jyl s VAL 206 Ca 0.28 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1jyl s VAL 206 Cb -0.07 -3.36 0.16 0.00 0.00 0.00 0.00 36.38 33.10 1jyl s VAL 206 CO 0.15 0.05 0.30 -0.70 0.00 0.00 0.00 175.10 174.90 1jyl s GLU 207 N -2.68 1.01 0.11 2.72 2.56 -0.59 -4.87 118.70 116.96 1jyl s GLU 207 Ca 0.31 -1.98 -0.36 0.00 0.00 0.00 0.00 54.97 52.94 1jyl s GLU 207 Cb -0.12 -1.73 -0.16 0.00 2.00 0.00 0.00 34.13 34.12 1jyl s GLU 207 CO 0.24 -1.29 1.33 0.39 -0.56 0.00 0.00 175.26 175.38 1jyl n GLU 208 N 3.22 1.24 -4.04 4.30 1.02 -1.26 -2.55 120.64 122.57 1jyl n GLU 208 Ca 0.20 0.45 -0.29 0.00 -0.02 0.00 0.00 57.16 57.50 1jyl n GLU 208 Cb 0.41 -2.08 -0.06 0.00 -0.02 0.00 0.00 31.44 29.70 1jyl n GLU 208 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1jyl s LEU 209 N 0.54 3.89 0.07 -4.62 1.43 0.36 -4.87 118.68 115.47 1jyl s LEU 209 Ca 0.82 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.95 1jyl s LEU 209 Cb -0.92 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 1jyl s LEU 209 CO 0.47 0.14 -0.10 -1.61 0.23 0.00 0.00 176.35 175.47 1jyl s GLU 210 N -2.65 0.73 3.17 1.70 0.41 -1.26 -4.43 118.70 116.36 1jyl s GLU 210 Ca 0.31 -0.97 0.00 0.00 -0.41 0.00 0.00 54.97 53.90 1jyl s GLU 210 Cb -0.12 -0.52 0.00 0.00 -1.78 0.00 0.00 34.13 31.71 1jyl s GLU 210 CO 0.23 0.10 0.00 0.41 -0.49 0.00 0.00 175.26 175.51 1jyl n GLY 211 N 1.05 0.14 3.57 -1.39 0.00 -1.26 -4.34 105.19 102.96 1jyl n GLY 211 Ca -0.20 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 1jyl n GLY 211 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jyl s ASN 212 N -4.00 6.48 0.10 1.61 0.01 -1.26 -4.79 114.94 113.10 1jyl s ASN 212 Ca 0.00 0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.26 1jyl s ASN 212 Cb 0.00 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.15 1jyl s ASN 212 CO 0.00 -1.29 0.00 -1.54 -1.51 0.00 0.00 177.10 172.76 1jyl n SER 213 N 7.84 0.47 -3.97 -1.22 3.41 -1.26 -4.49 113.62 114.41 1jyl n SER 213 Ca 0.08 0.16 -0.31 0.00 -0.26 0.00 0.00 58.87 58.54 1jyl n SER 213 Cb 0.49 -0.07 -0.15 0.00 -0.26 0.00 0.00 64.21 64.21 1jyl n SER 213 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1jyl s ILE 214 N -1.65 1.75 -0.23 -1.33 1.01 -1.26 0.85 121.20 120.34 1jyl s ILE 214 Ca 0.00 -1.51 -0.07 0.00 0.00 0.00 0.00 60.65 59.07 1jyl s ILE 214 Cb 0.00 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1jyl s ILE 214 CO 0.00 -0.21 0.06 -0.47 0.00 0.00 0.00 174.94 174.32 1jyl s TYR 215 N 1.26 3.11 -0.05 3.97 5.04 0.62 -4.93 117.35 126.38 1jyl s TYR 215 Ca -0.03 -0.33 -0.13 0.00 -2.44 0.00 0.00 57.07 54.14 1jyl s TYR 215 Cb -0.19 -2.20 -0.05 0.00 0.35 0.00 0.00 41.96 39.87 1jyl s TYR 215 CO -0.08 -0.25 0.35 -2.00 -1.34 0.00 0.00 175.55 172.23 1jyl s GLU 216 N 1.34 3.89 -0.59 4.97 2.12 -1.26 0.94 118.70 130.11 1jyl s GLU 216 Ca 0.05 0.27 0.01 0.00 0.36 0.00 0.00 54.97 55.66 1jyl s GLU 216 Cb -0.15 -3.25 0.15 0.00 0.26 0.00 0.00 34.13 31.14 1jyl s GLU 216 CO 0.03 0.62 0.37 0.42 -0.54 0.00 0.00 175.26 176.16 1jyl s ILE 217 N -0.78 3.17 -2.75 -3.70 1.01 -1.21 -4.86 121.20 112.08 1jyl s ILE 217 Ca 0.21 -3.23 0.23 0.00 0.00 0.00 0.00 60.65 57.86 1jyl s ILE 217 Cb -0.15 -3.11 0.15 0.00 0.01 0.00 0.00 42.46 39.36 1jyl s ILE 217 CO 0.10 -0.85 1.21 0.47 0.00 0.00 0.00 174.94 175.86 1jyl n ASP 218 N 3.19 2.78 -3.68 3.58 9.92 -1.26 -4.94 116.55 126.15 1jyl n ASP 218 Ca 0.07 -1.89 -0.10 0.00 -0.53 0.00 0.00 54.79 52.34 1jyl n ASP 218 Cb 0.35 0.07 -0.04 0.00 -0.64 0.00 0.00 41.12 40.86 1jyl n ASP 218 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1jyl s SER 219 N -2.00 -0.23 0.34 -2.24 1.04 -1.26 -4.54 113.70 104.81 1jyl s SER 219 Ca 0.26 -0.39 0.26 0.00 0.48 0.00 0.00 55.95 56.55 1jyl s SER 219 Cb 0.19 0.50 1.21 0.00 0.10 0.00 0.00 66.02 68.02 1jyl s SER 219 CO 0.33 -0.91 1.77 0.58 0.98 0.00 0.00 173.24 175.99 1jyl h VAL 220 N 2.32 0.00 0.10 5.02 2.07 -1.88 -2.02 116.25 121.85 1jyl h VAL 220 Ca -0.32 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1jyl h VAL 220 Cb 1.26 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1jyl h VAL 220 CO 0.44 0.00 -0.05 1.56 0.02 0.00 0.00 177.57 179.54 1jyl h GLN 221 N 0.00 -0.13 -0.45 1.57 1.08 -1.96 -2.18 115.11 113.05 1jyl h GLN 221 Ca 0.00 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.30 1jyl h GLN 221 Cb 0.21 0.03 -0.09 0.00 -0.05 0.00 0.00 27.48 27.58 1jyl h GLN 221 CO 0.00 0.38 -0.14 -0.44 -0.95 0.00 0.00 178.83 177.68 1jyl h ASP 222 N -0.88 -0.49 -0.46 1.46 3.45 -1.81 1.24 116.42 118.94 1jyl h ASP 222 Ca -0.01 0.14 0.13 0.00 0.43 0.00 0.00 57.03 57.72 1jyl h ASP 222 Cb 0.56 0.31 -0.02 0.00 -0.56 0.00 0.00 39.33 39.62 1jyl h ASP 222 CO 0.02 -0.17 0.33 0.22 -1.57 0.00 0.00 179.24 178.07 1jyl h TYR 223 N -0.03 0.01 -0.00 4.55 3.20 -1.44 0.24 116.97 123.50 1jyl h TYR 223 Ca 0.22 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 1jyl h TYR 223 Cb 0.36 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1jyl h TYR 223 CO -0.41 0.00 -0.05 0.00 -1.64 0.00 0.00 178.16 176.07 1jyl h ARG 224 N 0.01 0.03 0.00 1.82 2.47 0.18 -3.02 114.38 115.87 1jyl h ARG 224 Ca 0.22 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 1jyl h ARG 224 Cb 0.87 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 1jyl h ARG 224 CO -0.00 0.80 0.00 1.63 0.56 0.00 0.00 179.97 182.95 1jyl n LYS 225 N -4.68 0.00 -0.17 0.04 5.02 0.31 -1.67 118.16 117.00 1jyl n LYS 225 Ca -0.09 0.10 0.14 0.00 -2.02 0.00 0.00 58.31 56.44 1jyl n LYS 225 Cb 0.40 -0.83 0.23 0.00 -0.02 0.00 0.00 35.03 34.81 1jyl n LYS 225 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1jyl n LEU 226 N -0.43 0.04 0.26 -0.35 7.94 0.60 0.23 117.00 125.29 1jyl n LEU 226 Ca 0.00 0.38 -0.15 0.00 -1.11 0.00 0.00 56.01 55.13 1jyl n LEU 226 Cb 0.00 -0.19 -0.08 0.00 0.53 0.00 0.00 43.42 43.69 1jyl n LEU 226 CO 0.00 -0.40 0.52 -0.33 -1.11 0.00 0.00 177.39 176.07 1jyl h GLU 227 N 0.00 -0.81 -0.47 1.96 4.39 -1.18 -2.55 114.58 115.93 1jyl h GLU 227 Ca 0.28 0.05 0.03 0.00 0.34 0.00 0.00 59.36 60.06 1jyl h GLU 227 Cb 0.99 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.78 1jyl h GLU 227 CO -0.09 -0.54 0.25 1.49 -1.16 0.00 0.00 179.01 178.97 1jyl h GLU 228 N -0.84 0.49 -1.00 2.33 4.22 0.33 -2.45 114.58 117.65 1jyl h GLU 228 Ca -0.06 -0.03 0.23 0.00 0.08 0.00 0.00 59.36 59.58 1jyl h GLU 228 Cb 0.71 -0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.73 1jyl h GLU 228 CO -0.02 0.33 0.60 0.82 -2.18 0.00 0.00 179.01 178.56 1jyl h ILE 229 N 0.51 0.60 -0.00 2.32 2.04 -1.42 2.09 117.51 123.65 1jyl h ILE 229 Ca 0.20 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1jyl h ILE 229 Cb 0.07 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.04 1jyl h ILE 229 CO -0.12 0.12 -0.06 0.18 0.00 0.00 0.00 178.15 178.27 1jyl n LEU 230 N -4.84 0.23 0.00 1.44 4.77 -0.95 -5.09 117.00 112.56 1jyl n LEU 230 Ca 0.26 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1jyl n LEU 230 Cb 0.68 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1jyl n LEU 230 CO 0.18 0.04 0.00 2.29 -1.33 0.00 0.00 177.39 178.58