#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jyi s ASP 2 N 0.00 5.33 -0.17 0.00 1.01 -1.26 -5.08 116.67 116.50 1jyi s ASP 2 Ca 0.00 0.02 -0.23 0.00 0.71 0.00 0.00 52.55 53.05 1jyi s ASP 2 Cb 0.00 -1.43 -0.02 0.00 1.01 0.00 0.00 42.92 42.48 1jyi s ASP 2 CO 0.00 0.26 0.74 -0.89 0.21 0.00 0.00 175.17 175.48 1jyi s THR 3 N -1.18 4.95 -0.05 -1.27 2.01 -1.26 -5.01 115.64 113.83 1jyi s THR 3 Ca 0.22 1.43 0.03 0.00 0.31 0.00 0.00 61.69 63.68 1jyi s THR 3 Cb -0.12 -4.05 0.01 0.00 0.01 0.00 0.00 72.50 68.35 1jyi s THR 3 CO 0.13 0.08 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.38 1jyi s ILE 4 N 1.97 1.12 -0.09 1.82 -1.09 -1.26 -3.63 121.20 120.04 1jyi s ILE 4 Ca 0.34 -0.50 0.02 0.00 -2.23 0.00 0.00 60.65 58.28 1jyi s ILE 4 Cb -0.16 -1.01 0.01 0.00 -1.58 0.00 0.00 42.46 39.72 1jyi s ILE 4 CO 0.12 0.34 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.33 1jyi s VAL 5 N 0.43 1.42 0.02 2.92 1.01 -0.83 -0.10 120.40 125.28 1jyi s VAL 5 Ca -0.10 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 1jyi s VAL 5 Cb -0.13 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 35.01 1jyi s VAL 5 CO 0.03 0.42 0.42 0.00 0.00 0.00 0.00 175.10 175.97 1jyi s ALA 6 N 0.72 -1.05 -0.28 5.51 0.00 -0.61 -1.03 121.76 125.02 1jyi s ALA 6 Ca -0.13 0.42 -0.05 0.00 0.00 0.00 0.00 51.96 52.20 1jyi s ALA 6 Cb -0.16 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.25 1jyi s ALA 6 CO 0.03 -0.41 0.02 0.08 0.00 0.00 0.00 175.76 175.48 1jyi s VAL 7 N -2.14 3.49 -0.06 0.00 1.01 -0.76 -0.03 120.40 121.91 1jyi s VAL 7 Ca -0.07 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1jyi s VAL 7 Cb -0.02 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1jyi s VAL 7 CO 0.00 0.09 0.11 -1.83 0.00 0.00 0.00 175.10 173.47 1jyi s GLU 8 N 1.41 3.26 -0.86 2.72 -1.05 0.21 -1.94 118.70 122.45 1jyi s GLU 8 Ca 0.01 -0.31 -0.02 0.00 -0.15 0.00 0.00 54.97 54.49 1jyi s GLU 8 Cb -0.17 -3.01 0.21 0.00 -0.44 0.00 0.00 34.13 30.72 1jyi s GLU 8 CO -0.00 0.71 0.74 -0.51 0.95 0.00 0.00 175.26 177.15 1jyi s LEU 9 N -1.36 5.56 -0.34 1.83 1.02 0.88 -1.33 118.68 124.95 1jyi s LEU 9 Ca 0.19 -3.58 -0.29 0.00 0.02 0.00 0.00 54.13 50.47 1jyi s LEU 9 Cb -0.12 -1.92 -0.00 0.00 0.02 0.00 0.00 46.19 44.17 1jyi s LEU 9 CO 0.09 -0.22 1.48 -0.62 0.02 0.00 0.00 176.35 177.10 1jyi s ASP 10 N 0.07 6.37 0.08 2.29 -1.08 -0.32 -2.49 116.67 121.58 1jyi s ASP 10 Ca 0.26 1.14 0.24 0.00 -0.52 0.00 0.00 52.55 53.66 1jyi s ASP 10 Cb -0.09 -2.54 0.29 0.00 -1.46 0.00 0.00 42.92 39.13 1jyi s ASP 10 CO -0.11 -1.35 1.26 0.35 0.52 0.00 0.00 175.17 175.84 1jyi n THR 11 N 6.78 0.24 -4.18 1.71 -2.24 -0.90 -2.27 114.28 113.42 1jyi n THR 11 Ca 0.17 -0.21 -0.26 0.00 -2.27 0.00 0.00 64.05 61.48 1jyi n THR 11 Cb 0.47 0.03 -0.17 0.00 -2.10 0.00 0.00 70.33 68.57 1jyi n THR 11 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1jyi s TYR 12 N -3.14 1.51 -0.51 4.78 5.04 -1.24 -4.67 117.35 119.11 1jyi s TYR 12 Ca 0.06 -0.69 -0.27 0.00 -2.44 0.00 0.00 57.07 53.73 1jyi s TYR 12 Cb 0.14 -1.19 0.03 0.00 0.35 0.00 0.00 41.96 41.30 1jyi s TYR 12 CO 0.74 -0.43 1.08 -1.25 -1.34 0.00 0.00 175.55 174.34 1jyi s PRO 13 N 1.28 3.56 -0.85 4.97 0.04 -1.26 -4.97 135.00 137.77 1jyi s PRO 13 Ca -0.03 0.26 -0.09 0.00 0.04 0.00 0.00 61.00 61.18 1jyi s PRO 13 Cb -0.14 -3.96 0.22 0.00 0.04 0.00 0.00 34.50 30.66 1jyi s PRO 13 CO -0.04 -1.44 0.76 -0.80 0.04 0.00 0.00 177.00 175.52 1jyi s ASN 14 N 2.61 6.46 0.43 6.66 -0.87 -1.26 -4.90 114.94 124.07 1jyi s ASN 14 Ca 0.42 -3.01 0.29 0.00 -1.57 0.00 0.00 52.86 48.98 1jyi s ASN 14 Cb -0.09 -2.10 1.56 0.00 -0.02 0.00 0.00 41.25 40.60 1jyi s ASN 14 CO 0.27 -0.43 1.88 0.71 -2.57 0.00 0.00 177.10 176.96 1jyi h THR 15 N 4.59 0.00 0.00 1.60 1.35 -1.88 -1.10 112.91 117.48 1jyi h THR 15 Ca 0.10 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1jyi h THR 15 Cb 0.97 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1jyi h THR 15 CO 0.80 0.00 0.00 -2.24 -0.25 0.00 0.00 175.52 173.83 1jyi h ASP 16 N 0.00 0.00 -0.04 5.36 2.03 -1.90 -2.83 116.42 119.04 1jyi h ASP 16 Ca 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1jyi h ASP 16 Cb 0.01 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.51 1jyi h ASP 16 CO 0.00 0.00 -0.04 2.30 -1.03 0.00 0.00 179.24 180.47 1jyi n ILE 17 N -2.80 1.98 -0.38 4.15 -5.35 -0.43 -4.97 119.36 111.56 1jyi n ILE 17 Ca 0.01 -2.32 0.00 0.00 -0.27 0.00 0.00 62.75 60.17 1jyi n ILE 17 Cb 0.25 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1jyi n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jyi n GLY 18 N -1.29 0.80 3.77 3.28 0.00 -1.07 -4.65 105.19 106.03 1jyi n GLY 18 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1jyi n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jyi s ASP 19 N -2.07 6.92 0.68 1.61 1.11 -1.09 -4.91 116.67 118.91 1jyi s ASP 19 Ca 0.00 2.32 -0.15 0.00 0.18 0.00 0.00 52.55 54.90 1jyi s ASP 19 Cb 0.00 -2.62 0.01 0.00 1.07 0.00 0.00 42.92 41.38 1jyi s ASP 19 CO 0.00 -0.39 1.15 -2.84 1.18 0.00 0.00 175.17 174.27 1jyi s PRO 20 N -1.87 2.58 0.00 8.23 0.02 -1.26 -4.18 135.00 138.51 1jyi s PRO 20 Ca 0.50 1.56 0.00 0.00 0.02 0.00 0.00 61.00 63.08 1jyi s PRO 20 Cb -0.31 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.30 1jyi s PRO 20 CO 0.40 -1.45 0.25 -1.13 -0.33 0.00 0.00 177.00 174.74 1jyi n SER 21 N -2.45 0.74 -3.59 2.53 3.41 -1.26 -4.61 113.62 108.38 1jyi n SER 21 Ca 0.12 -0.55 -0.04 0.00 -0.26 0.00 0.00 58.87 58.13 1jyi n SER 21 Cb 0.51 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.31 1jyi n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1jyi s TYR 22 N 0.48 -0.18 0.31 7.33 -0.85 -1.26 -4.98 117.35 118.20 1jyi s TYR 22 Ca 0.00 0.06 -0.27 0.00 -0.52 0.00 0.00 57.07 56.34 1jyi s TYR 22 Cb 0.00 0.54 -0.14 0.00 0.38 0.00 0.00 41.96 42.75 1jyi s TYR 22 CO 0.00 -0.41 0.93 -2.30 -1.52 0.00 0.00 175.55 172.25 1jyi n PRO 23 N -0.26 1.18 -3.81 -3.49 -0.02 -1.26 -4.72 135.00 122.61 1jyi n PRO 23 Ca -0.05 0.42 -0.09 0.00 -2.02 0.00 0.00 63.50 61.76 1jyi n PRO 23 Cb 0.60 -1.78 -0.03 0.00 -0.02 0.00 0.00 33.50 32.27 1jyi n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1jyi s HIS 24 N -1.13 -0.09 0.06 6.00 -3.43 -0.96 -1.58 115.29 114.16 1jyi s HIS 24 Ca 0.60 -0.30 0.09 0.00 -0.80 0.00 0.00 55.06 54.66 1jyi s HIS 24 Cb -0.69 0.50 -0.03 0.00 -1.43 0.00 0.00 32.58 30.93 1jyi s HIS 24 CO 0.59 -1.06 -0.26 0.96 -2.00 0.00 0.00 174.74 172.97 1jyi s ILE 25 N -3.91 2.08 0.24 -5.38 -4.36 -0.78 -1.18 121.20 107.91 1jyi s ILE 25 Ca 0.12 -1.44 -0.15 0.00 -0.26 0.00 0.00 60.65 58.92 1jyi s ILE 25 Cb -0.03 -1.80 0.01 0.00 1.25 0.00 0.00 42.46 41.89 1jyi s ILE 25 CO 0.03 0.28 0.52 -0.83 0.24 0.00 0.00 174.94 175.18 1jyi s GLY 26 N -1.41 0.31 -0.21 6.27 0.00 -0.44 -1.83 107.32 110.02 1jyi s GLY 26 Ca 0.11 -0.66 -0.04 0.00 0.00 0.00 0.00 44.72 44.13 1jyi s GLY 26 CO 0.03 -0.47 -0.02 -0.42 0.00 0.00 0.00 173.10 172.21 1jyi s ILE 27 N -3.97 3.67 -0.16 0.90 1.01 -0.88 -0.62 121.20 121.15 1jyi s ILE 27 Ca 0.18 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 1jyi s ILE 27 Cb -0.02 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 1jyi s ILE 27 CO 0.06 0.43 -0.06 -1.81 0.00 0.00 0.00 174.94 173.57 1jyi s ASP 28 N 1.17 4.56 -0.57 3.58 1.01 0.96 -0.72 116.67 126.67 1jyi s ASP 28 Ca 0.02 -0.21 0.04 0.00 0.71 0.00 0.00 52.55 53.11 1jyi s ASP 28 Cb -0.14 -1.74 0.14 0.00 1.01 0.00 0.00 42.92 42.18 1jyi s ASP 28 CO 0.00 0.14 0.32 -0.63 0.21 0.00 0.00 175.17 175.21 1jyi s ILE 29 N 0.56 2.67 -1.30 0.77 -1.09 -1.26 -1.57 121.20 119.97 1jyi s ILE 29 Ca -0.04 -3.56 0.00 0.00 -2.23 0.00 0.00 60.65 54.82 1jyi s ILE 29 Cb -0.15 -2.83 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 1jyi s ILE 29 CO 0.03 -0.85 0.00 0.29 -1.23 0.00 0.00 174.94 173.18 1jyi n LYS 30 N 2.83 -1.15 -3.64 2.79 5.02 0.86 -4.99 118.16 119.88 1jyi n LYS 30 Ca 0.09 0.76 -0.07 0.00 -2.02 0.00 0.00 58.31 57.06 1jyi n LYS 30 Cb 0.33 -5.05 -0.07 0.00 -0.02 0.00 0.00 35.03 30.22 1jyi n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1jyi s SER 31 N -2.42 -0.64 0.47 4.39 0.15 -1.26 -4.97 113.70 109.43 1jyi s SER 31 Ca 0.00 1.11 0.32 0.00 0.70 0.00 0.00 55.95 58.08 1jyi s SER 31 Cb 0.00 1.20 1.60 0.00 -1.71 0.00 0.00 66.02 67.11 1jyi s SER 31 CO 0.00 -0.18 1.97 1.62 1.20 0.00 0.00 173.24 177.85 1jyi h VAL 32 N 4.43 0.00 -2.11 4.45 3.04 -1.88 -3.37 116.25 120.81 1jyi h VAL 32 Ca -0.29 -0.15 -0.59 0.00 -1.01 0.00 0.00 66.70 64.67 1jyi h VAL 32 Cb 1.19 0.95 -0.11 0.00 -2.01 0.00 0.00 31.29 31.32 1jyi h VAL 32 CO 0.14 0.00 1.05 -0.13 -1.01 0.00 0.00 177.57 177.61 1jyi s ARG 33 N -3.73 3.31 0.34 4.17 0.52 -1.26 -4.98 118.95 117.32 1jyi s ARG 33 Ca -0.01 -0.71 -0.26 0.00 -0.52 0.00 0.00 55.73 54.22 1jyi s ARG 33 Cb 0.10 -4.55 -0.13 0.00 0.52 0.00 0.00 34.95 30.89 1jyi s ARG 33 CO 0.37 -2.07 0.95 0.43 0.02 0.00 0.00 175.30 175.01 1jyi n SER 34 N 8.67 1.01 0.13 0.23 7.64 -1.26 -4.79 113.62 125.25 1jyi n SER 34 Ca 0.11 1.10 0.13 0.00 1.01 0.00 0.00 58.87 61.22 1jyi n SER 34 Cb 0.49 -1.29 0.29 0.00 -1.01 0.00 0.00 64.21 62.69 1jyi n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jyi h LYS 35 N 1.70 0.00 -2.02 1.43 1.79 -1.26 -3.45 116.57 114.75 1jyi h LYS 35 Ca -0.41 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.08 1jyi h LYS 35 Cb 1.35 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.79 1jyi h LYS 35 CO 0.58 0.00 -0.00 0.21 -1.08 0.00 0.00 179.45 179.16 1jyi s LYS 36 N -3.15 0.69 0.45 3.15 2.47 -1.25 -5.02 119.74 117.08 1jyi s LYS 36 Ca 0.08 1.23 0.03 0.00 -1.56 0.00 0.00 55.97 55.75 1jyi s LYS 36 Cb 0.11 0.19 -0.03 0.00 -1.46 0.00 0.00 37.83 36.63 1jyi s LYS 36 CO 0.65 -0.15 0.04 0.95 0.16 0.00 0.00 175.35 176.99 1jyi s THR 37 N 1.72 1.18 -0.29 3.43 -4.23 -1.26 -2.06 115.64 114.13 1jyi s THR 37 Ca -0.10 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.28 1jyi s THR 37 Cb -0.06 -2.42 0.13 0.00 1.34 0.00 0.00 72.50 71.49 1jyi s THR 37 CO -0.20 0.00 0.79 0.00 -0.54 0.00 0.00 174.62 174.67 1jyi s ALA 38 N -2.97 -2.17 0.44 3.99 0.00 -0.76 -4.97 121.76 115.32 1jyi s ALA 38 Ca 0.18 2.29 -0.22 0.00 0.00 0.00 0.00 51.96 54.21 1jyi s ALA 38 Cb 0.04 -1.72 -0.11 0.00 0.00 0.00 0.00 23.12 21.33 1jyi s ALA 38 CO 0.10 -0.67 0.67 1.17 0.00 0.00 0.00 175.76 177.03 1jyi n LYS 39 N 4.70 0.76 -3.69 0.00 4.81 -1.26 -1.86 118.16 121.62 1jyi n LYS 39 Ca -0.15 0.28 -0.18 0.00 -0.87 0.00 0.00 58.31 57.39 1jyi n LYS 39 Cb 0.54 -1.67 -0.17 0.00 0.02 0.00 0.00 35.03 33.75 1jyi n LYS 39 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1jyi s TRP 40 N -1.44 -0.02 -1.49 5.64 -0.00 -0.62 -4.73 118.94 116.29 1jyi s TRP 40 Ca 0.64 0.34 -0.13 0.00 -0.00 0.00 0.00 56.10 56.95 1jyi s TRP 40 Cb -0.58 -0.36 0.02 0.00 -0.00 0.00 0.00 33.47 32.55 1jyi s TRP 40 CO 0.57 -0.19 2.38 0.09 -0.00 0.00 0.00 176.95 179.80 1jyi n ASN 41 N 5.06 5.06 -4.69 5.86 3.02 -1.26 -4.47 115.26 123.85 1jyi n ASN 41 Ca -0.09 -2.80 -0.57 0.00 -0.03 0.00 0.00 54.58 51.09 1jyi n ASN 41 Cb 0.50 -1.63 -0.07 0.00 -0.61 0.00 0.00 39.78 37.97 1jyi n ASN 41 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1jyi n MET 42 N 5.39 1.06 -3.53 3.52 0.00 -1.26 -4.90 117.12 117.40 1jyi n MET 42 Ca 0.58 0.39 -0.41 0.00 -0.00 0.00 0.00 57.70 58.26 1jyi n MET 42 Cb 0.35 -2.05 -0.05 0.00 0.00 0.00 0.00 33.22 31.47 1jyi n MET 42 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1jyi s GLN 43 N 2.91 3.32 -0.08 2.12 -0.21 -1.26 -5.05 119.66 121.41 1jyi s GLN 43 Ca 0.96 -2.85 -0.40 0.00 0.02 0.00 0.00 55.36 53.09 1jyi s GLN 43 Cb -1.08 -4.12 -0.19 0.00 1.00 0.00 0.00 33.01 28.63 1jyi s GLN 43 CO 0.63 -1.24 1.30 -1.71 -2.12 0.00 0.00 175.29 172.15 1jyi n ASN 44 N 3.14 0.91 0.00 5.90 2.85 -1.26 -1.66 115.26 125.14 1jyi n ASN 44 Ca 0.16 1.14 0.00 0.00 -0.11 0.00 0.00 54.58 55.77 1jyi n ASN 44 Cb 0.40 -1.02 0.00 0.00 1.24 0.00 0.00 39.78 40.41 1jyi n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1jyi n GLY 45 N 2.47 1.70 3.76 8.20 0.00 -0.51 -4.97 105.19 115.83 1jyi n GLY 45 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1jyi n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jyi s LYS 46 N -0.36 2.98 0.07 1.61 -0.14 -0.67 -4.95 119.74 118.28 1jyi s LYS 46 Ca 0.00 -0.54 -0.30 0.00 -1.36 0.00 0.00 55.97 53.77 1jyi s LYS 46 Cb 0.00 -2.80 -0.05 0.00 -1.68 0.00 0.00 37.83 33.30 1jyi s LYS 46 CO 0.00 0.63 1.14 0.08 -0.76 0.00 0.00 175.35 176.44 1jyi s VAL 47 N -1.19 4.17 0.31 3.17 1.01 -1.26 -4.43 120.40 122.18 1jyi s VAL 47 Ca 0.23 1.61 0.06 0.00 0.00 0.00 0.00 61.98 63.87 1jyi s VAL 47 Cb -0.12 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 1jyi s VAL 47 CO 0.14 0.15 -0.01 -0.83 0.00 0.00 0.00 175.10 174.55 1jyi s GLY 48 N 0.84 2.01 0.06 4.51 0.00 -0.58 -4.52 107.32 109.64 1jyi s GLY 48 Ca 0.56 -2.02 0.09 0.00 0.00 0.00 0.00 44.72 43.35 1jyi s GLY 48 CO 0.30 -1.87 -0.24 -1.59 0.00 0.00 0.00 173.10 169.70 1jyi s THR 49 N -3.06 1.93 -0.06 0.90 2.01 -0.20 -1.84 115.64 115.33 1jyi s THR 49 Ca 0.33 -1.37 0.03 0.00 0.31 0.00 0.00 61.69 60.99 1jyi s THR 49 Cb 0.06 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.90 1jyi s THR 49 CO 0.14 0.23 -0.16 0.00 -0.69 0.00 0.00 174.62 174.15 1jyi s ALA 50 N -0.86 1.49 -0.13 7.40 0.00 -0.43 -1.76 121.76 127.46 1jyi s ALA 50 Ca 0.10 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.46 1jyi s ALA 50 Cb -0.10 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.48 1jyi s ALA 50 CO 0.03 0.21 -0.18 -1.01 0.00 0.00 0.00 175.76 174.81 1jyi s HIS 51 N 0.31 2.33 -0.07 0.00 3.76 -0.57 -2.32 115.29 118.73 1jyi s HIS 51 Ca -0.10 -1.20 0.04 0.00 -0.15 0.00 0.00 55.06 53.66 1jyi s HIS 51 Cb -0.14 -1.64 -0.00 0.00 1.11 0.00 0.00 32.58 31.91 1jyi s HIS 51 CO 0.04 -0.59 -0.20 0.42 -0.85 0.00 0.00 174.74 173.56 1jyi s ILE 52 N 1.05 1.68 0.06 0.60 1.09 -0.34 -0.77 121.20 124.57 1jyi s ILE 52 Ca -0.04 -0.83 0.01 0.00 -1.10 0.00 0.00 60.65 58.69 1jyi s ILE 52 Cb -0.15 -1.45 -0.04 0.00 -1.06 0.00 0.00 42.46 39.76 1jyi s ILE 52 CO -0.04 0.48 -0.05 0.27 -0.10 0.00 0.00 174.94 175.49 1jyi s ILE 53 N 0.21 0.40 -0.02 2.92 -4.36 -0.27 -0.46 121.20 119.61 1jyi s ILE 53 Ca -0.10 -1.60 -0.28 0.00 -0.26 0.00 0.00 60.65 58.41 1jyi s ILE 53 Cb -0.15 -1.23 0.09 0.00 1.25 0.00 0.00 42.46 42.42 1jyi s ILE 53 CO 0.05 -0.79 0.80 -0.47 0.24 0.00 0.00 174.94 174.77 1jyi s TYR 54 N -3.05 -0.47 -0.11 1.37 5.04 -0.73 -1.45 117.35 117.96 1jyi s TYR 54 Ca 0.02 0.57 -0.25 0.00 -2.44 0.00 0.00 57.07 54.97 1jyi s TYR 54 Cb 0.02 0.49 0.06 0.00 0.35 0.00 0.00 41.96 42.87 1jyi s TYR 54 CO -0.05 -0.57 0.61 0.54 -1.34 0.00 0.00 175.55 174.73 1jyi s ASN 55 N -1.87 -0.59 0.00 4.32 2.20 -1.26 -2.27 114.94 115.47 1jyi s ASN 55 Ca -0.02 0.81 0.30 0.00 -0.94 0.00 0.00 52.86 53.01 1jyi s ASN 55 Cb -0.01 0.76 1.62 0.00 -2.00 0.00 0.00 41.25 41.63 1jyi s ASN 55 CO -0.02 -0.45 2.07 -1.54 -2.94 0.00 0.00 177.10 174.21 1jyi n SER 56 N 1.59 0.00 -0.07 3.54 3.41 0.64 -0.56 113.62 122.18 1jyi n SER 56 Ca -0.18 -0.51 -0.14 0.00 -0.26 0.00 0.00 58.87 57.79 1jyi n SER 56 Cb 0.56 -0.15 -0.13 0.00 -0.26 0.00 0.00 64.21 64.24 1jyi n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1jyi h VAL 57 N 0.00 1.75 0.00 -3.33 2.07 -1.88 -3.34 116.25 111.52 1jyi h VAL 57 Ca 0.00 -2.24 -0.20 0.00 0.82 0.00 0.00 66.70 65.08 1jyi h VAL 57 Cb 0.14 3.27 -0.03 0.00 -1.52 0.00 0.00 31.29 33.16 1jyi h VAL 57 CO 0.00 0.58 -1.07 0.44 0.02 0.00 0.00 177.57 177.54 1jyi h ASP 58 N -0.96 0.00 -6.29 0.57 3.32 -1.98 -3.48 116.42 107.61 1jyi h ASP 58 Ca -0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 1jyi h ASP 58 Cb 0.95 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 1jyi h ASP 58 CO 0.00 0.83 -0.75 0.29 -1.72 0.00 0.00 179.24 177.88 1jyi n LYS 59 N -3.21 -5.61 -4.11 3.56 5.02 0.28 -4.91 118.16 109.19 1jyi n LYS 59 Ca -0.04 0.60 -0.31 0.00 -2.02 0.00 0.00 58.31 56.54 1jyi n LYS 59 Cb 0.90 -5.51 -0.16 0.00 -0.02 0.00 0.00 35.03 30.24 1jyi n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1jyi s ARG 60 N -6.62 2.61 -0.20 1.97 3.52 -1.25 -1.29 118.95 117.70 1jyi s ARG 60 Ca 0.67 -0.68 -0.19 0.00 -0.13 0.00 0.00 55.73 55.39 1jyi s ARG 60 Cb -0.33 -2.30 -0.03 0.00 -1.56 0.00 0.00 34.95 30.73 1jyi s ARG 60 CO 0.83 -0.21 0.56 -1.17 -0.81 0.00 0.00 175.30 174.50 1jyi s LEU 61 N 1.35 4.14 0.16 -0.88 2.96 -0.61 -4.24 118.68 121.56 1jyi s LEU 61 Ca 0.04 0.73 0.06 0.00 -0.22 0.00 0.00 54.13 54.74 1jyi s LEU 61 Cb -0.13 -2.78 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 1jyi s LEU 61 CO -0.11 -0.22 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.13 1jyi s SER 62 N 1.19 2.13 -0.02 3.68 0.01 -0.53 -1.84 113.70 118.32 1jyi s SER 62 Ca 0.26 -0.95 -0.18 0.00 1.31 0.00 0.00 55.95 56.38 1jyi s SER 62 Cb -0.16 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.04 1jyi s SER 62 CO 0.10 -0.21 0.39 0.00 0.41 0.00 0.00 173.24 173.93 1jyi s ALA 63 N -2.81 -1.00 -0.03 1.44 0.00 -0.52 -1.12 121.76 117.71 1jyi s ALA 63 Ca 0.16 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1jyi s ALA 63 Cb -0.01 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.22 1jyi s ALA 63 CO 0.03 -0.30 0.01 0.14 0.00 0.00 0.00 175.76 175.65 1jyi s VAL 64 N -1.41 0.12 -0.07 0.00 -7.23 0.05 -2.14 120.40 109.72 1jyi s VAL 64 Ca -0.12 0.15 0.02 0.00 -1.81 0.00 0.00 61.98 60.21 1jyi s VAL 64 Cb -0.04 -0.24 -0.03 0.00 0.56 0.00 0.00 36.38 36.64 1jyi s VAL 64 CO 0.05 0.14 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.18 1jyi s VAL 65 N 1.19 3.29 0.14 1.32 1.01 -0.31 -1.51 120.40 125.54 1jyi s VAL 65 Ca -0.07 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 1jyi s VAL 65 Cb -0.13 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.95 1jyi s VAL 65 CO -0.02 0.58 0.43 -0.94 0.00 0.00 0.00 175.10 175.15 1jyi s SER 66 N -0.52 -0.24 0.05 3.32 1.04 -0.72 -1.19 113.70 115.44 1jyi s SER 66 Ca 0.07 -0.36 0.06 0.00 0.48 0.00 0.00 55.95 56.20 1jyi s SER 66 Cb -0.12 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 1jyi s SER 66 CO 0.02 -0.90 -0.17 -0.31 0.98 0.00 0.00 173.24 172.86 1jyi s TYR 67 N -3.82 1.47 0.32 5.02 1.51 -1.26 -1.03 117.35 119.55 1jyi s TYR 67 Ca 0.05 -0.38 -0.28 0.00 -1.01 0.00 0.00 57.07 55.45 1jyi s TYR 67 Cb 0.01 -0.86 -0.13 0.00 -0.11 0.00 0.00 41.96 40.88 1jyi s TYR 67 CO -0.10 0.08 1.21 -2.30 -1.11 0.00 0.00 175.55 173.33 1jyi n PRO 68 N 1.71 1.87 -1.25 -1.71 -0.02 -1.26 -1.52 135.00 132.82 1jyi n PRO 68 Ca -0.18 0.66 -0.10 0.00 -2.02 0.00 0.00 63.50 61.85 1jyi n PRO 68 Cb 0.54 -2.17 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 1jyi n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1jyi n ASN 69 N 1.00 -5.19 -4.45 2.55 5.03 -1.26 -4.92 115.26 108.01 1jyi n ASN 69 Ca 0.07 0.25 -0.30 0.00 0.87 0.00 0.00 54.58 55.47 1jyi n ASN 69 Cb 0.34 -3.87 -0.06 0.00 -1.02 0.00 0.00 39.78 35.17 1jyi n ASN 69 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jyi n ALA 70 N 1.04 0.42 -1.95 5.41 0.00 -0.58 -5.15 120.51 119.70 1jyi n ALA 70 Ca -0.10 -2.13 -0.26 0.00 0.00 0.00 0.00 53.44 50.95 1jyi n ALA 70 Cb 0.54 1.19 0.10 0.00 0.00 0.00 0.00 19.45 21.28 1jyi n ALA 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jyi s ASP 71 N -3.60 4.33 -0.10 0.00 1.11 -1.26 -4.70 116.67 112.45 1jyi s ASP 71 Ca 0.02 0.16 0.04 0.00 0.18 0.00 0.00 52.55 52.94 1jyi s ASP 71 Cb 0.00 -0.61 -0.00 0.00 1.07 0.00 0.00 42.92 43.38 1jyi s ASP 71 CO 0.01 -1.90 -0.22 -0.44 1.18 0.00 0.00 175.17 173.80 1jyi s SER 72 N -4.66 3.23 -0.15 0.27 0.01 -1.26 -4.04 113.70 107.10 1jyi s SER 72 Ca 0.65 -0.52 -0.14 0.00 1.31 0.00 0.00 55.95 57.25 1jyi s SER 72 Cb -0.08 -1.36 -0.05 0.00 0.21 0.00 0.00 66.02 64.75 1jyi s SER 72 CO 0.46 0.17 0.32 0.00 0.41 0.00 0.00 173.24 174.60 1jyi s ALA 73 N 0.26 3.58 0.03 1.44 0.00 -0.33 -4.94 121.76 121.80 1jyi s ALA 73 Ca -0.15 -0.41 0.08 0.00 0.00 0.00 0.00 51.96 51.47 1jyi s ALA 73 Cb -0.17 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 1jyi s ALA 73 CO 0.08 0.09 -0.22 0.99 0.00 0.00 0.00 175.76 176.69 1jyi s THR 74 N 0.46 1.79 -0.09 0.00 2.01 -1.26 -1.16 115.64 117.38 1jyi s THR 74 Ca 0.18 -1.18 -0.11 0.00 0.31 0.00 0.00 61.69 60.88 1jyi s THR 74 Cb -0.13 -1.53 0.03 0.00 0.01 0.00 0.00 72.50 70.88 1jyi s THR 74 CO 0.05 0.31 0.31 0.54 -0.69 0.00 0.00 174.62 175.13 1jyi s VAL 75 N -0.73 0.01 -0.06 3.82 0.11 -0.91 -4.80 120.40 117.84 1jyi s VAL 75 Ca 0.09 -0.11 -0.12 0.00 -2.93 0.00 0.00 61.98 58.90 1jyi s VAL 75 Cb -0.09 -0.47 0.02 0.00 -1.53 0.00 0.00 36.38 34.31 1jyi s VAL 75 CO 0.01 -0.06 0.29 -0.44 -3.33 0.00 0.00 175.10 171.57 1jyi s SER 76 N -0.17 -0.22 0.01 3.54 0.01 -1.26 -1.44 113.70 114.17 1jyi s SER 76 Ca -0.03 0.30 -0.03 0.00 1.31 0.00 0.00 55.95 57.50 1jyi s SER 76 Cb -0.03 0.44 -0.01 0.00 0.21 0.00 0.00 66.02 66.64 1jyi s SER 76 CO 0.01 -0.28 0.04 -0.47 0.41 0.00 0.00 173.24 172.96 1jyi s TYR 77 N -0.64 0.12 -0.24 2.43 5.04 -0.77 -4.98 117.35 118.32 1jyi s TYR 77 Ca -0.07 -0.26 -0.15 0.00 -2.44 0.00 0.00 57.07 54.15 1jyi s TYR 77 Cb -0.04 -0.10 -0.04 0.00 0.35 0.00 0.00 41.96 42.13 1jyi s TYR 77 CO 0.02 -0.19 0.35 -0.51 -1.34 0.00 0.00 175.55 173.88 1jyi s ASP 78 N -1.15 6.31 -0.27 4.32 1.01 -1.26 -1.57 116.67 124.05 1jyi s ASP 78 Ca -0.12 0.36 -0.13 0.00 0.71 0.00 0.00 52.55 53.36 1jyi s ASP 78 Cb -0.07 -2.20 0.09 0.00 1.01 0.00 0.00 42.92 41.75 1jyi s ASP 78 CO 0.00 -0.10 0.64 0.54 0.21 0.00 0.00 175.17 176.46 1jyi s VAL 79 N 1.58 -0.34 -0.59 -1.27 0.11 -0.41 -4.99 120.40 114.49 1jyi s VAL 79 Ca 0.15 0.02 -0.25 0.00 -2.93 0.00 0.00 61.98 58.97 1jyi s VAL 79 Cb -0.15 -0.95 0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1jyi s VAL 79 CO 0.08 0.01 1.03 -0.62 -3.33 0.00 0.00 175.10 172.26 1jyi s ASP 80 N 2.05 6.32 0.00 3.54 -1.08 -1.26 -4.51 116.67 121.73 1jyi s ASP 80 Ca -0.08 -0.37 0.06 0.00 -0.52 0.00 0.00 52.55 51.64 1jyi s ASP 80 Cb -0.08 -2.47 0.25 0.00 -1.46 0.00 0.00 42.92 39.17 1jyi s ASP 80 CO -0.19 -1.37 1.18 0.18 0.52 0.00 0.00 175.17 175.50 1jyi n LEU 81 N 7.87 0.00 0.18 -1.34 4.77 -1.26 -2.06 117.00 125.16 1jyi n LEU 81 Ca 0.02 0.49 0.04 0.00 -0.03 0.00 0.00 56.01 56.53 1jyi n LEU 81 Cb 0.48 -0.49 0.30 0.00 -2.33 0.00 0.00 43.42 41.38 1jyi n LEU 81 CO 0.66 -0.39 0.64 0.44 -1.33 0.00 0.00 177.39 177.41 1jyi h ASP 82 N 0.00 0.00 0.41 -1.43 5.19 -1.90 -1.03 116.42 117.67 1jyi h ASP 82 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1jyi h ASP 82 Cb 0.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1jyi h ASP 82 CO 0.00 0.42 -0.93 0.59 -3.12 0.00 0.00 179.24 176.20 1jyi n ASN 83 N -3.59 0.64 -0.09 6.45 3.02 -0.87 -4.38 115.26 116.43 1jyi n ASN 83 Ca -0.00 -0.28 -0.10 0.00 -0.03 0.00 0.00 54.58 54.16 1jyi n ASN 83 Cb 0.53 0.71 -0.12 0.00 -0.61 0.00 0.00 39.78 40.29 1jyi n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1jyi n VAL 84 N -1.85 1.14 -4.45 2.41 0.31 -1.15 -5.03 118.33 109.72 1jyi n VAL 84 Ca 0.03 -0.63 -0.23 0.00 -0.01 0.00 0.00 64.34 63.50 1jyi n VAL 84 Cb 0.41 -0.75 -0.10 0.00 -0.91 0.00 0.00 33.84 32.48 1jyi n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1jyi s LEU 85 N -5.49 2.58 0.59 7.52 1.43 -0.40 -4.91 118.68 120.00 1jyi s LEU 85 Ca -0.14 -1.02 -0.13 0.00 -1.03 0.00 0.00 54.13 51.82 1jyi s LEU 85 Cb 0.06 -1.03 -0.05 0.00 0.03 0.00 0.00 46.19 45.19 1jyi s LEU 85 CO 0.62 0.01 1.02 -2.16 0.23 0.00 0.00 176.35 176.06 1jyi s PRO 86 N -3.49 3.68 0.29 1.29 0.04 -1.26 -4.65 135.00 130.90 1jyi s PRO 86 Ca 0.28 0.81 0.25 0.00 0.04 0.00 0.00 61.00 62.38 1jyi s PRO 86 Cb -0.04 -2.09 1.04 0.00 0.04 0.00 0.00 34.50 33.44 1jyi s PRO 86 CO 0.13 -0.50 1.74 1.05 0.04 0.00 0.00 177.00 179.46 1jyi h GLU 87 N 0.01 0.00 -4.93 4.56 4.11 -1.93 -3.39 114.58 113.00 1jyi h GLU 87 Ca -0.45 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.31 1jyi h GLU 87 Cb 1.19 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.09 1jyi h GLU 87 CO 0.62 0.00 -0.80 -1.58 0.07 0.00 0.00 179.01 177.32 1jyi s TRP 88 N -3.37 3.06 0.14 2.06 0.52 -1.26 -1.14 118.94 118.96 1jyi s TRP 88 Ca 0.03 -1.88 0.02 0.00 0.02 0.00 0.00 56.10 54.29 1jyi s TRP 88 Cb 0.09 -1.97 -0.01 0.00 -1.15 0.00 0.00 33.47 30.43 1jyi s TRP 88 CO 0.40 -0.81 0.06 1.33 0.02 0.00 0.00 176.95 177.95 1jyi n VAL 89 N 4.56 0.00 -4.11 4.03 0.24 -0.44 -4.20 118.33 118.41 1jyi n VAL 89 Ca -0.17 -0.86 -0.14 0.00 -2.04 0.00 0.00 64.34 61.13 1jyi n VAL 89 Cb 0.46 0.34 -0.11 0.00 -1.47 0.00 0.00 33.84 33.05 1jyi n VAL 89 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1jyi s ARG 90 N -2.54 0.67 0.21 7.34 0.52 0.05 0.13 118.95 125.33 1jyi s ARG 90 Ca 0.09 -0.90 0.10 0.00 -0.52 0.00 0.00 55.73 54.50 1jyi s ARG 90 Cb 0.00 -0.46 -0.05 0.00 0.52 0.00 0.00 34.95 34.97 1jyi s ARG 90 CO 0.06 0.08 -0.20 0.14 0.02 0.00 0.00 175.30 175.41 1jyi s VAL 91 N -1.65 2.17 -1.10 3.52 -7.23 -1.26 -1.75 120.40 113.09 1jyi s VAL 91 Ca -0.04 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 57.99 1jyi s VAL 91 Cb -0.08 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.77 1jyi s VAL 91 CO 0.00 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 1jyi n GLY 92 N -0.08 -1.30 3.40 2.32 0.00 -0.76 -1.52 105.19 107.25 1jyi n GLY 92 Ca -0.10 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 1jyi n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jyi s LEU 93 N 0.00 2.37 0.05 0.99 1.43 0.72 -0.94 118.68 123.29 1jyi s LEU 93 Ca 0.00 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1jyi s LEU 93 Cb 0.00 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 1jyi s LEU 93 CO 0.00 0.23 -0.05 -0.55 0.23 0.00 0.00 176.35 176.22 1jyi s SER 94 N -1.55 0.64 -0.09 2.29 0.15 -0.40 -0.26 113.70 114.48 1jyi s SER 94 Ca 0.14 -0.77 -0.31 0.00 0.70 0.00 0.00 55.95 55.70 1jyi s SER 94 Cb -0.10 0.12 0.12 0.00 -1.71 0.00 0.00 66.02 64.44 1jyi s SER 94 CO 0.04 -0.41 1.01 0.00 1.20 0.00 0.00 173.24 175.08 1jyi s ALA 95 N -2.67 -1.92 0.32 5.45 0.00 -0.98 -0.26 121.76 121.70 1jyi s ALA 95 Ca -0.02 1.31 -0.09 0.00 0.00 0.00 0.00 51.96 53.16 1jyi s ALA 95 Cb -0.01 0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.12 1jyi s ALA 95 CO -0.04 -0.58 0.55 -1.54 0.00 0.00 0.00 175.76 174.15 1jyi s SER 96 N -2.09 0.37 0.06 0.00 1.04 -1.05 -2.39 113.70 109.64 1jyi s SER 96 Ca 0.05 -1.21 -0.06 0.00 0.48 0.00 0.00 55.95 55.21 1jyi s SER 96 Cb -0.01 0.68 -0.01 0.00 0.10 0.00 0.00 66.02 66.78 1jyi s SER 96 CO -0.06 -1.34 0.11 0.42 0.98 0.00 0.00 173.24 173.35 1jyi s THR 97 N -3.22 0.15 0.00 2.02 -4.23 -0.68 -1.02 115.64 108.67 1jyi s THR 97 Ca 0.24 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1jyi s THR 97 Cb -0.02 -1.19 0.00 0.00 1.34 0.00 0.00 72.50 72.64 1jyi s THR 97 CO 0.14 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 1jyi n GLY 98 N 0.34 1.74 0.13 3.99 0.00 -1.26 -1.68 105.19 108.45 1jyi n GLY 98 Ca -0.17 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 1jyi n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jyi h LEU 99 N 0.00 0.50 -9.84 0.99 5.85 -1.95 0.21 115.31 111.06 1jyi h LEU 99 Ca 0.00 -0.73 -0.53 0.00 0.84 0.00 0.00 57.88 57.46 1jyi h LEU 99 Cb 0.00 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 1jyi h LEU 99 CO 0.00 1.61 -0.54 -0.31 -0.34 0.00 0.00 178.44 178.86 1jyi s TYR 100 N -2.60 3.13 0.28 1.25 2.02 -1.26 -4.89 117.35 115.29 1jyi s TYR 100 Ca -0.13 -0.07 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 1jyi s TYR 100 Cb 0.06 -1.45 -0.05 0.00 -0.40 0.00 0.00 41.96 40.13 1jyi s TYR 100 CO 0.85 0.52 0.12 -1.59 -1.57 0.00 0.00 175.55 173.88 1jyi s LYS 101 N -3.52 1.51 0.03 -0.62 0.00 -1.25 -4.50 119.74 111.39 1jyi s LYS 101 Ca 0.32 -1.84 -0.28 0.00 0.00 0.00 0.00 55.97 54.18 1jyi s LYS 101 Cb -0.09 -0.25 0.09 0.00 0.00 0.00 0.00 37.83 37.59 1jyi s LYS 101 CO 0.24 -0.35 0.84 -1.83 0.00 0.00 0.00 175.35 174.25 1jyi s GLU 102 N -3.94 0.92 -0.04 1.78 -1.05 -1.22 -3.88 118.70 111.27 1jyi s GLU 102 Ca 0.36 -0.35 -0.21 0.00 -0.15 0.00 0.00 54.97 54.63 1jyi s GLU 102 Cb 0.07 0.42 -0.05 0.00 -0.44 0.00 0.00 34.13 34.13 1jyi s GLU 102 CO 0.15 -0.40 0.59 0.95 0.95 0.00 0.00 175.26 177.50 1jyi s THR 103 N -3.24 4.99 -0.78 1.83 -4.23 0.37 -4.69 115.64 109.88 1jyi s THR 103 Ca 0.05 1.23 0.02 0.00 -1.18 0.00 0.00 61.69 61.81 1jyi s THR 103 Cb -0.01 -3.93 0.29 0.00 1.34 0.00 0.00 72.50 70.19 1jyi s THR 103 CO -0.09 0.37 1.12 0.59 -0.54 0.00 0.00 174.62 176.07 1jyi n ASN 104 N 3.09 5.07 -4.72 3.99 4.13 -1.26 -3.00 115.26 122.56 1jyi n ASN 104 Ca -0.06 -3.53 -0.40 0.00 1.68 0.00 0.00 54.58 52.27 1jyi n ASN 104 Cb 0.51 -0.85 -0.04 0.00 -1.54 0.00 0.00 39.78 37.85 1jyi n ASN 104 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1jyi s THR 105 N -3.29 5.00 -0.28 3.41 2.01 -1.22 -2.78 115.64 118.48 1jyi s THR 105 Ca 0.40 1.54 -0.09 0.00 0.31 0.00 0.00 61.69 63.85 1jyi s THR 105 Cb 0.16 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 1jyi s THR 105 CO -0.03 0.25 0.12 -0.63 -0.69 0.00 0.00 174.62 173.64 1jyi s ILE 106 N 0.75 4.47 -0.06 1.82 -1.09 0.73 -1.09 121.20 126.74 1jyi s ILE 106 Ca 0.39 -0.31 0.13 0.00 -2.23 0.00 0.00 60.65 58.64 1jyi s ILE 106 Cb -0.18 -3.20 -0.15 0.00 -1.58 0.00 0.00 42.46 37.35 1jyi s ILE 106 CO 0.20 0.19 0.97 -0.07 -1.23 0.00 0.00 174.94 174.99 1jyi h LEU 107 N 8.30 0.00 -7.00 2.97 4.07 -1.17 -1.83 115.31 120.64 1jyi h LEU 107 Ca -0.35 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.65 1jyi h LEU 107 Cb 1.16 0.00 -0.20 0.00 1.08 0.00 0.00 40.66 42.70 1jyi h LEU 107 CO 0.59 0.77 0.41 -0.94 -1.08 0.00 0.00 178.44 178.20 1jyi s SER 108 N -6.16 -0.47 -0.21 -0.43 1.04 -1.22 -4.58 113.70 101.67 1jyi s SER 108 Ca -0.02 0.44 -0.10 0.00 0.48 0.00 0.00 55.95 56.75 1jyi s SER 108 Cb 0.09 0.40 0.07 0.00 0.10 0.00 0.00 66.02 66.68 1jyi s SER 108 CO 0.81 -0.49 0.49 0.86 0.98 0.00 0.00 173.24 175.88 1jyi s TRP 109 N -1.49 -0.78 0.09 5.02 -0.00 0.34 -1.34 118.94 120.79 1jyi s TRP 109 Ca -0.04 1.57 0.03 0.00 -0.00 0.00 0.00 56.10 57.66 1jyi s TRP 109 Cb -0.00 0.38 -0.04 0.00 -0.00 0.00 0.00 33.47 33.81 1jyi s TRP 109 CO 0.02 -0.42 -0.08 -1.54 -0.00 0.00 0.00 176.95 174.93 1jyi s SER 110 N 1.72 1.25 0.01 5.86 1.04 -0.28 0.13 113.70 123.42 1jyi s SER 110 Ca -0.08 -0.85 -0.19 0.00 0.48 0.00 0.00 55.95 55.31 1jyi s SER 110 Cb -0.08 0.04 0.04 0.00 0.10 0.00 0.00 66.02 66.12 1jyi s SER 110 CO -0.15 -0.33 0.41 0.12 0.98 0.00 0.00 173.24 174.27 1jyi s PHE 111 N -2.74 -0.29 -0.16 5.02 5.36 -0.20 -1.00 117.98 123.98 1jyi s PHE 111 Ca 0.06 0.38 -0.08 0.00 -0.96 0.00 0.00 56.93 56.33 1jyi s PHE 111 Cb -0.01 0.20 0.06 0.00 -0.34 0.00 0.00 43.02 42.93 1jyi s PHE 111 CO -0.02 -0.51 0.36 0.99 -1.46 0.00 0.00 175.22 174.59 1jyi s THR 112 N -1.83 -0.16 0.01 0.12 2.01 -0.60 -1.97 115.64 113.21 1jyi s THR 112 Ca -0.09 0.14 0.07 0.00 0.31 0.00 0.00 61.69 62.12 1jyi s THR 112 Cb -0.02 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 1jyi s THR 112 CO 0.02 0.06 -0.22 -0.55 -0.69 0.00 0.00 174.62 173.23 1jyi s SER 113 N 1.66 2.66 -0.00 3.53 0.15 0.16 -1.43 113.70 120.43 1jyi s SER 113 Ca -0.07 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1jyi s SER 113 Cb -0.10 -0.27 -0.00 0.00 -1.71 0.00 0.00 66.02 63.95 1jyi s SER 113 CO -0.11 0.24 -0.01 -0.54 1.20 0.00 0.00 173.24 174.02 1jyi s LYS 114 N -0.82 0.08 -0.10 5.44 1.02 0.26 -1.16 119.74 124.46 1jyi s LYS 114 Ca 0.09 -0.03 0.01 0.00 0.02 0.00 0.00 55.97 56.05 1jyi s LYS 114 Cb -0.09 -0.08 0.02 0.00 -0.52 0.00 0.00 37.83 37.16 1jyi s LYS 114 CO 0.00 0.02 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.84 1jyi s LEU 115 N -0.02 1.45 -0.46 3.17 1.43 0.15 -1.92 118.68 122.48 1jyi s LEU 115 Ca 0.00 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 1jyi s LEU 115 Cb -0.00 -0.88 0.12 0.00 0.03 0.00 0.00 46.19 45.45 1jyi s LEU 115 CO -0.00 -0.04 0.26 -0.75 0.23 0.00 0.00 176.35 176.05 1jyi s LYS 116 N 1.23 2.14 0.71 1.70 2.47 -0.85 -1.09 119.74 126.04 1jyi s LYS 116 Ca -0.04 -2.01 -0.14 0.00 -1.56 0.00 0.00 55.97 52.23 1jyi s LYS 116 Cb -0.14 -3.62 0.03 0.00 -1.46 0.00 0.00 37.83 32.64 1jyi s LYS 116 CO -0.03 -1.10 1.12 -1.12 0.16 0.00 0.00 175.35 174.38 1jyi s SER 117 N 1.52 4.72 -1.32 1.43 0.01 -1.22 -0.76 113.70 118.07 1jyi s SER 117 Ca 0.10 2.02 -0.15 0.00 1.31 0.00 0.00 55.95 59.24 1jyi s SER 117 Cb -0.22 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.45 1jyi s SER 117 CO -0.04 -1.90 2.22 -3.20 0.41 0.00 0.00 173.24 170.74 1jyi n ASN 118 N -2.80 4.01 -0.41 2.44 2.85 0.85 -2.51 115.26 119.69 1jyi n ASN 118 Ca 0.11 -2.78 -0.00 0.00 -0.11 0.00 0.00 54.58 51.80 1jyi n ASN 118 Cb 0.52 -1.53 -0.00 0.00 1.24 0.00 0.00 39.78 40.01 1jyi n ASN 118 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1jyi n SER 119 N 6.13 -0.05 -1.56 1.20 7.64 -1.26 -5.01 113.62 120.71 1jyi n SER 119 Ca 0.53 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 59.62 1jyi n SER 119 Cb 0.37 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1jyi n SER 119 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1jyi n THR 120 N 0.00 -3.72 -1.46 0.44 -1.04 -1.04 -4.43 114.28 103.02 1jyi n THR 120 Ca -0.01 1.75 0.00 0.00 -2.04 0.00 0.00 64.05 63.75 1jyi n THR 120 Cb 0.39 -2.55 0.00 0.00 -1.82 0.00 0.00 70.33 66.35 1jyi n THR 120 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1jyi n HIS 121 N -1.56 -1.04 -0.72 -1.42 -0.00 -1.26 -4.65 115.22 104.57 1jyi n HIS 121 Ca 0.00 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.11 1jyi n HIS 121 Cb 0.16 -0.56 -0.02 0.00 -0.12 0.00 0.00 29.99 29.46 1jyi n HIS 121 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1jyi n GLU 122 N -1.27 1.42 -2.13 1.57 -0.58 -1.26 -4.89 120.64 113.49 1jyi n GLU 122 Ca 0.00 -0.67 -0.42 0.00 -0.42 0.00 0.00 57.16 55.64 1jyi n GLU 122 Cb 0.24 -1.36 -0.03 0.00 -0.57 0.00 0.00 31.44 29.73 1jyi n GLU 122 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1jyi s THR 123 N -0.60 3.63 0.04 2.62 2.01 -1.25 -3.39 115.64 118.70 1jyi s THR 123 Ca 0.20 0.93 0.07 0.00 0.31 0.00 0.00 61.69 63.21 1jyi s THR 123 Cb 0.13 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1jyi s THR 123 CO -0.01 -0.04 -0.20 0.20 -0.69 0.00 0.00 174.62 173.89 1jyi s ASN 124 N 2.41 3.68 0.10 3.53 -0.87 -0.25 -4.97 114.94 118.58 1jyi s ASN 124 Ca 0.67 -0.45 -0.14 0.00 -1.57 0.00 0.00 52.86 51.37 1jyi s ASN 124 Cb -0.32 -0.55 0.02 0.00 -0.02 0.00 0.00 41.25 40.38 1jyi s ASN 124 CO 0.27 0.26 0.34 0.00 -2.57 0.00 0.00 177.10 175.39 1jyi s ALA 125 N -0.90 -0.73 -0.01 0.60 0.00 -1.26 -0.67 121.76 118.79 1jyi s ALA 125 Ca 0.14 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.95 1jyi s ALA 125 Cb -0.10 0.57 0.01 0.00 0.00 0.00 0.00 23.12 23.59 1jyi s ALA 125 CO 0.04 -0.57 -0.01 -1.17 0.00 0.00 0.00 175.76 174.06 1jyi s LEU 126 N -2.66 1.68 -0.14 0.00 2.96 -0.31 -4.99 118.68 115.23 1jyi s LEU 126 Ca 0.02 -0.03 -0.07 0.00 -0.22 0.00 0.00 54.13 53.83 1jyi s LEU 126 Cb 0.02 -0.13 0.05 0.00 0.50 0.00 0.00 46.19 46.63 1jyi s LEU 126 CO -0.10 -0.02 0.33 -2.28 -1.32 0.00 0.00 176.35 172.95 1jyi s HIS 127 N 0.35 -0.46 0.06 5.38 5.65 -1.26 -0.67 115.29 124.34 1jyi s HIS 127 Ca -0.03 1.03 0.01 0.00 0.25 0.00 0.00 55.06 56.31 1jyi s HIS 127 Cb -0.06 0.15 -0.03 0.00 -1.18 0.00 0.00 32.58 31.46 1jyi s HIS 127 CO -0.01 -0.29 -0.06 -0.59 -0.65 0.00 0.00 174.74 173.15 1jyi s PHE 128 N 1.31 0.66 -0.19 3.88 -0.12 -0.83 -5.01 117.98 117.68 1jyi s PHE 128 Ca -0.09 -0.80 -0.08 0.00 -0.05 0.00 0.00 56.93 55.91 1jyi s PHE 128 Cb -0.09 -0.41 0.08 0.00 -0.63 0.00 0.00 43.02 41.96 1jyi s PHE 128 CO -0.10 -0.19 0.42 1.41 -0.05 0.00 0.00 175.22 176.71 1jyi s MET 129 N -2.98 0.36 -0.17 1.99 1.75 -1.26 -1.03 119.30 117.96 1jyi s MET 129 Ca 0.02 0.96 -0.00 0.00 -1.25 0.00 0.00 55.69 55.41 1jyi s MET 129 Cb 0.00 0.21 -0.00 0.00 2.84 0.00 0.00 34.83 37.88 1jyi s MET 129 CO -0.04 -0.22 -0.14 -0.06 -0.65 0.00 0.00 175.02 173.91 1jyi s PHE 130 N 2.18 2.81 -0.02 4.11 0.08 0.34 -4.93 117.98 122.57 1jyi s PHE 130 Ca -0.05 -1.08 0.02 0.00 0.12 0.00 0.00 56.93 55.95 1jyi s PHE 130 Cb -0.11 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.39 1jyi s PHE 130 CO -0.13 -0.51 0.05 0.09 -0.10 0.00 0.00 175.22 174.62 1jyi n ASN 131 N 4.22 3.91 -4.07 1.36 3.02 -1.26 -0.50 115.26 121.94 1jyi n ASN 131 Ca -0.19 -0.08 -0.17 0.00 -0.03 0.00 0.00 54.58 54.11 1jyi n ASN 131 Cb 0.51 1.08 -0.13 0.00 -0.61 0.00 0.00 39.78 40.64 1jyi n ASN 131 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1jyi s GLN 132 N -2.02 0.71 -0.09 3.52 -1.52 -1.26 -4.72 119.66 114.28 1jyi s GLN 132 Ca -0.01 -0.59 0.02 0.00 -1.95 0.00 0.00 55.36 52.84 1jyi s GLN 132 Cb 0.01 -0.64 0.01 0.00 -0.22 0.00 0.00 33.01 32.17 1jyi s GLN 132 CO 0.09 0.16 -0.15 -0.06 -0.25 0.00 0.00 175.29 175.07 1jyi s PHE 133 N -0.75 1.85 0.58 0.91 0.08 -0.38 -5.01 117.98 115.26 1jyi s PHE 133 Ca -0.01 -0.78 -0.04 0.00 0.12 0.00 0.00 56.93 56.22 1jyi s PHE 133 Cb -0.07 -1.32 0.02 0.00 -0.57 0.00 0.00 43.02 41.08 1jyi s PHE 133 CO 0.01 -0.38 0.87 -1.12 -0.10 0.00 0.00 175.22 174.49 1jyi s SER 134 N 0.75 5.48 0.11 1.36 0.01 -1.26 -3.20 113.70 116.94 1jyi s SER 134 Ca -0.12 0.53 -0.19 0.00 1.31 0.00 0.00 55.95 57.48 1jyi s SER 134 Cb -0.16 -1.50 -0.06 0.00 0.21 0.00 0.00 66.02 64.51 1jyi s SER 134 CO 0.02 -1.10 1.70 0.50 0.41 0.00 0.00 173.24 174.77 1jyi h LYS 135 N -0.13 0.34 -3.63 12.44 3.64 -1.85 -2.97 116.57 124.40 1jyi h LYS 135 Ca -0.45 -0.04 -0.76 0.00 -1.27 0.00 0.00 60.65 58.13 1jyi h LYS 135 Cb 1.27 -0.06 -0.30 0.00 -0.41 0.00 0.00 32.23 32.73 1jyi h LYS 135 CO 0.59 0.32 0.05 0.34 -2.27 0.00 0.00 179.45 178.48 1jyi s ASP 136 N -5.55 6.44 -1.14 4.20 2.15 -1.26 -4.64 116.67 116.86 1jyi s ASP 136 Ca -0.13 -3.09 -0.08 0.00 0.43 0.00 0.00 52.55 49.67 1jyi s ASP 136 Cb 0.08 -2.09 0.26 0.00 -0.30 0.00 0.00 42.92 40.87 1jyi s ASP 136 CO 0.71 -0.40 1.36 1.67 -0.17 0.00 0.00 175.17 178.34 1jyi n GLN 137 N 3.33 3.79 0.19 4.34 -0.06 -1.24 -4.91 117.38 122.81 1jyi n GLN 137 Ca 0.16 -4.28 0.09 0.00 -2.00 0.00 0.00 57.00 50.97 1jyi n GLN 137 Cb 0.42 -2.67 0.46 0.00 -4.06 0.00 0.00 30.24 24.39 1jyi n GLN 137 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1jyi h LYS 138 N 6.29 0.00 -0.46 3.69 1.57 -1.94 -1.74 116.57 123.98 1jyi h LYS 138 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1jyi h LYS 138 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1jyi h LYS 138 CO 1.22 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.70 1jyi n ASP 139 N -2.22 2.70 -4.34 0.86 5.68 -1.26 -4.88 116.55 113.08 1jyi n ASP 139 Ca -0.01 -1.96 -0.30 0.00 -0.50 0.00 0.00 54.79 52.02 1jyi n ASP 139 Cb 0.30 -0.30 -0.15 0.00 -1.14 0.00 0.00 41.12 39.84 1jyi n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1jyi s LEU 140 N -1.13 2.18 -0.28 -2.12 1.43 -0.66 -0.08 118.68 118.02 1jyi s LEU 140 Ca 0.35 -0.59 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 1jyi s LEU 140 Cb 0.18 -1.25 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 1jyi s LEU 140 CO 0.25 0.24 0.14 -0.63 0.23 0.00 0.00 176.35 176.58 1jyi s ILE 141 N -0.82 4.81 -0.25 -0.59 1.01 0.37 -4.85 121.20 120.88 1jyi s ILE 141 Ca 0.11 -0.09 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 1jyi s ILE 141 Cb -0.10 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1jyi s ILE 141 CO 0.02 0.23 0.11 -0.76 0.00 0.00 0.00 174.94 174.55 1jyi s LEU 142 N 1.68 3.73 0.19 2.97 1.43 -1.26 -1.52 118.68 125.89 1jyi s LEU 142 Ca 0.06 -0.08 0.09 0.00 -1.03 0.00 0.00 54.13 53.17 1jyi s LEU 142 Cb -0.16 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1jyi s LEU 142 CO 0.07 0.00 -0.10 -1.10 0.23 0.00 0.00 176.35 175.46 1jyi s GLN 143 N 1.42 2.05 5.39 1.70 -0.21 -0.81 -4.97 119.66 124.23 1jyi s GLN 143 Ca 0.06 -1.29 0.00 0.00 0.02 0.00 0.00 55.36 54.15 1jyi s GLN 143 Cb -0.15 -2.15 0.00 0.00 1.00 0.00 0.00 33.01 31.71 1jyi s GLN 143 CO 0.06 0.43 0.00 0.41 -2.12 0.00 0.00 175.29 174.06 1jyi n GLY 144 N -0.00 2.27 0.42 3.09 0.00 -1.26 -2.00 105.19 107.70 1jyi n GLY 144 Ca -0.11 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.49 1jyi n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jyi n ASP 145 N 1.23 1.25 -4.77 1.61 8.00 0.08 -4.93 116.55 119.02 1jyi n ASP 145 Ca 0.00 -1.73 -0.40 0.00 0.71 0.00 0.00 54.79 53.37 1jyi n ASP 145 Cb 0.00 -0.10 -0.01 0.00 -0.02 0.00 0.00 41.12 40.99 1jyi n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jyi s ALA 146 N -1.79 3.39 0.14 2.24 0.00 -1.16 -4.43 121.76 120.15 1jyi s ALA 146 Ca 0.27 1.33 -0.08 0.00 0.00 0.00 0.00 51.96 53.48 1jyi s ALA 146 Cb 0.14 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1jyi s ALA 146 CO 0.21 -0.85 0.24 0.95 0.00 0.00 0.00 175.76 176.31 1jyi s THR 147 N -1.19 0.09 0.33 0.00 -4.23 -0.40 -4.78 115.64 105.45 1jyi s THR 147 Ca 0.54 -1.39 0.05 0.00 -1.18 0.00 0.00 61.69 59.71 1jyi s THR 147 Cb -0.41 -1.73 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 1jyi s THR 147 CO 0.54 -0.41 0.20 0.42 -0.54 0.00 0.00 174.62 174.83 1jyi s THR 148 N -3.95 0.20 0.00 3.99 -4.23 -1.26 -1.49 115.64 108.90 1jyi s THR 148 Ca 0.15 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1jyi s THR 148 Cb 0.04 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.41 1jyi s THR 148 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1jyi n GLY 149 N -0.64 3.18 3.55 3.99 0.00 -1.12 -4.44 105.19 109.71 1jyi n GLY 149 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1jyi n GLY 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jyi s THR 150 N -2.25 3.26 -0.68 2.61 -4.23 -1.25 -2.56 115.64 110.55 1jyi s THR 150 Ca 0.00 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 1jyi s THR 150 Cb 0.00 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1jyi s THR 150 CO 0.00 -0.68 0.00 0.47 -0.54 0.00 0.00 174.62 173.87 1jyi n ASP 151 N 13.58 -5.62 0.00 3.99 9.92 -1.26 -0.76 116.55 136.40 1jyi n ASP 151 Ca 0.25 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.66 1jyi n ASP 151 Cb 0.53 -3.69 0.00 0.00 -0.64 0.00 0.00 41.12 37.32 1jyi n ASP 151 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jyi n GLY 152 N 0.26 0.55 3.81 0.44 0.00 -1.06 -4.97 105.19 104.22 1jyi n GLY 152 Ca -0.06 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 1jyi n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jyi s ASN 153 N -2.43 4.55 -0.18 1.61 0.01 0.06 -1.25 114.94 117.30 1jyi s ASN 153 Ca 0.00 -1.12 -0.04 0.00 -0.71 0.00 0.00 52.86 50.99 1jyi s ASN 153 Cb 0.00 -0.16 -0.02 0.00 0.41 0.00 0.00 41.25 41.48 1jyi s ASN 153 CO 0.00 -0.74 -0.04 -0.22 -1.51 0.00 0.00 177.10 174.59 1jyi s LEU 154 N -4.04 3.11 -0.39 0.60 2.96 -0.69 -3.12 118.68 117.11 1jyi s LEU 154 Ca 0.37 -0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 53.95 1jyi s LEU 154 Cb 0.01 -1.77 0.06 0.00 0.50 0.00 0.00 46.19 44.99 1jyi s LEU 154 CO 0.21 0.09 0.22 -1.61 -1.32 0.00 0.00 176.35 173.94 1jyi s GLU 155 N 0.82 2.68 0.44 1.98 0.41 -0.56 -0.19 118.70 124.29 1jyi s GLU 155 Ca -0.01 -1.29 0.23 0.00 -0.41 0.00 0.00 54.97 53.50 1jyi s GLU 155 Cb -0.15 -3.72 0.94 0.00 -1.78 0.00 0.00 34.13 29.42 1jyi s GLU 155 CO 0.02 -0.83 1.84 -0.07 -0.49 0.00 0.00 175.26 175.73 1jyi h LEU 156 N 8.39 0.00 -9.20 1.80 3.38 -1.79 -1.07 115.31 116.83 1jyi h LEU 156 Ca -0.24 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.27 1jyi h LEU 156 Cb 1.09 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.70 1jyi h LEU 156 CO 0.70 0.24 -0.60 0.42 0.09 0.00 0.00 178.44 179.30 1jyi s THR 157 N -3.71 1.00 0.30 0.22 -4.23 -1.26 -2.84 115.64 105.12 1jyi s THR 157 Ca 0.00 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.21 1jyi s THR 157 Cb 0.11 -2.71 -0.12 0.00 1.34 0.00 0.00 72.50 71.12 1jyi s THR 157 CO 0.64 0.00 1.49 0.54 -0.54 0.00 0.00 174.62 176.75 1jyi n ARG 158 N -0.68 2.47 -3.67 3.99 5.12 -1.26 -4.88 116.66 117.75 1jyi n ARG 158 Ca -0.02 0.87 -0.09 0.00 -1.93 0.00 0.00 57.85 56.68 1jyi n ARG 158 Cb 0.66 -2.59 -0.10 0.00 -1.16 0.00 0.00 32.46 29.27 1jyi n ARG 158 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1jyi s VAL 159 N -0.35 -0.45 1.14 1.55 1.01 -1.26 -2.33 120.40 119.70 1jyi s VAL 159 Ca 0.62 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.57 1jyi s VAL 159 Cb -0.54 -0.63 0.26 0.00 0.00 0.00 0.00 36.38 35.47 1jyi s VAL 159 CO 0.53 0.06 1.15 -0.94 0.00 0.00 0.00 175.10 175.90 1jyi s SER 160 N 2.25 1.47 0.19 3.32 1.04 -0.70 -4.86 113.70 116.40 1jyi s SER 160 Ca -0.04 0.61 -0.12 0.00 0.48 0.00 0.00 55.95 56.89 1jyi s SER 160 Cb -0.11 -0.86 0.12 0.00 0.10 0.00 0.00 66.02 65.27 1jyi s SER 160 CO -0.12 -3.78 1.85 0.28 0.98 0.00 0.00 173.24 172.44 1jyi h SER 161 N -2.35 0.77 0.04 7.02 0.02 -2.03 0.02 113.55 117.04 1jyi h SER 161 Ca -0.46 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1jyi h SER 161 Cb 1.29 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1jyi h SER 161 CO 0.37 0.57 0.00 -0.46 -1.14 0.00 0.00 176.83 176.17 1jyi n ASN 162 N -4.61 0.00 0.00 3.07 0.23 -1.26 -4.80 115.26 107.89 1jyi n ASN 162 Ca 0.05 0.28 0.00 0.00 -0.53 0.00 0.00 54.58 54.38 1jyi n ASN 162 Cb 0.03 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 37.43 1jyi n ASN 162 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jyi n GLY 163 N -1.14 0.59 3.86 4.83 0.00 -0.01 -5.05 105.19 108.26 1jyi n GLY 163 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1jyi n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jyi s SER 164 N -2.01 6.68 1.05 1.61 1.04 -1.26 -4.82 113.70 115.98 1jyi s SER 164 Ca 0.00 0.82 -0.12 0.00 0.48 0.00 0.00 55.95 57.13 1jyi s SER 164 Cb 0.00 -2.19 0.22 0.00 0.10 0.00 0.00 66.02 64.14 1jyi s SER 164 CO 0.00 0.25 1.07 -2.16 0.98 0.00 0.00 173.24 173.38 1jyi s PRO 165 N -1.53 0.02 0.20 4.02 0.04 -1.26 -1.73 135.00 134.77 1jyi s PRO 165 Ca 0.28 0.81 0.10 0.00 0.04 0.00 0.00 61.00 62.24 1jyi s PRO 165 Cb -0.15 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1jyi s PRO 165 CO 0.15 -3.09 -0.20 -0.65 0.04 0.00 0.00 177.00 173.25 1jyi s GLN 166 N -4.70 1.46 0.52 4.56 -1.52 -0.99 -4.80 119.66 114.19 1jyi s GLN 166 Ca 0.66 -1.55 -0.01 0.00 -1.95 0.00 0.00 55.36 52.52 1jyi s GLN 166 Cb -0.22 -1.59 0.02 0.00 -0.22 0.00 0.00 33.01 31.00 1jyi s GLN 166 CO 0.61 0.32 0.76 0.20 -0.25 0.00 0.00 175.29 176.93 1jyi s GLY 167 N -2.92 1.67 -0.99 3.09 0.00 -1.26 -4.57 107.32 102.34 1jyi s GLY 167 Ca 0.21 -1.10 -0.14 0.00 0.00 0.00 0.00 44.72 43.69 1jyi s GLY 167 CO 0.10 -0.86 0.67 1.44 0.00 0.00 0.00 173.10 174.44 1jyi n SER 168 N -2.29 -4.96 -3.99 1.64 7.64 0.73 -4.85 113.62 107.55 1jyi n SER 168 Ca 0.05 -1.01 -0.16 0.00 1.01 0.00 0.00 58.87 58.76 1jyi n SER 168 Cb 0.59 -2.23 -0.14 0.00 -1.01 0.00 0.00 64.21 61.41 1jyi n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1jyi s SER 169 N -3.23 0.75 -0.03 6.43 0.15 -1.04 -4.97 113.70 111.77 1jyi s SER 169 Ca 0.23 -0.16 0.01 0.00 0.70 0.00 0.00 55.95 56.72 1jyi s SER 169 Cb -0.11 -0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.15 1jyi s SER 169 CO 0.90 0.04 -0.01 0.68 1.20 0.00 0.00 173.24 176.05 1jyi s VAL 170 N -0.29 0.25 -0.24 4.45 -7.23 -1.26 -1.69 120.40 114.40 1jyi s VAL 170 Ca 0.01 0.01 -0.20 0.00 -1.81 0.00 0.00 61.98 59.99 1jyi s VAL 170 Cb -0.03 -0.31 0.06 0.00 0.56 0.00 0.00 36.38 36.66 1jyi s VAL 170 CO -0.00 0.14 0.62 -0.83 -0.31 0.00 0.00 175.10 174.72 1jyi s GLY 171 N 0.79 -0.48 0.31 2.32 0.00 -1.00 -0.74 107.32 108.50 1jyi s GLY 171 Ca -0.08 1.84 0.03 0.00 0.00 0.00 0.00 44.72 46.50 1jyi s GLY 171 CO -0.01 1.66 0.09 0.50 0.00 0.00 0.00 173.10 175.33 1jyi s ARG 172 N 0.59 1.59 -0.10 2.90 0.52 -0.85 -2.32 118.95 121.27 1jyi s ARG 172 Ca -0.02 -1.89 -0.05 0.00 -0.52 0.00 0.00 55.73 53.25 1jyi s ARG 172 Cb -0.05 -0.54 0.05 0.00 0.52 0.00 0.00 34.95 34.92 1jyi s ARG 172 CO -0.03 -0.28 0.24 0.00 0.02 0.00 0.00 175.30 175.24 1jyi s ALA 173 N -3.49 -0.53 0.15 2.13 0.00 0.64 -1.93 121.76 118.73 1jyi s ALA 173 Ca 0.36 0.97 0.08 0.00 0.00 0.00 0.00 51.96 53.36 1jyi s ALA 173 Cb 0.07 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1jyi s ALA 173 CO 0.15 -0.19 -0.18 -0.51 0.00 0.00 0.00 175.76 175.03 1jyi s LEU 174 N 1.24 2.42 0.28 0.00 1.02 -0.58 -0.20 118.68 122.86 1jyi s LEU 174 Ca -0.09 -0.84 -0.29 0.00 0.02 0.00 0.00 54.13 52.93 1jyi s LEU 174 Cb -0.10 -0.78 -0.09 0.00 0.02 0.00 0.00 46.19 45.24 1jyi s LEU 174 CO -0.08 -0.05 1.02 0.12 0.02 0.00 0.00 176.35 177.38 1jyi s PHE 175 N -2.00 3.72 0.18 0.29 5.36 -0.57 -0.48 117.98 124.48 1jyi s PHE 175 Ca 0.14 1.79 -0.13 0.00 -0.96 0.00 0.00 56.93 57.76 1jyi s PHE 175 Cb -0.06 -3.13 0.11 0.00 -0.34 0.00 0.00 43.02 39.61 1jyi s PHE 175 CO 0.06 -0.11 1.82 -0.92 -1.46 0.00 0.00 175.22 174.61 1jyi h TYR 176 N 3.78 0.59 -3.51 10.12 3.20 -0.82 -3.44 116.97 126.90 1jyi h TYR 176 Ca -0.46 0.02 -0.53 0.00 3.14 0.00 0.00 58.73 60.90 1jyi h TYR 176 Cb 1.21 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 1jyi h TYR 176 CO 0.60 0.34 0.32 0.00 -1.64 0.00 0.00 178.16 177.77 1jyi s ALA 177 N -6.14 3.25 0.77 1.82 0.00 -1.26 -5.04 121.76 115.17 1jyi s ALA 177 Ca -0.13 0.50 -0.14 0.00 0.00 0.00 0.00 51.96 52.20 1jyi s ALA 177 Cb 0.13 -3.23 0.06 0.00 0.00 0.00 0.00 23.12 20.09 1jyi s ALA 177 CO 0.74 -0.05 1.18 -2.14 0.00 0.00 0.00 175.76 175.50 1jyi s PRO 178 N 0.18 1.92 -0.11 0.00 0.02 -1.26 -4.85 135.00 130.90 1jyi s PRO 178 Ca 0.46 1.66 0.03 0.00 0.02 0.00 0.00 61.00 63.16 1jyi s PRO 178 Cb -0.22 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.49 1jyi s PRO 178 CO 0.28 -1.98 -0.20 0.08 -0.33 0.00 0.00 177.00 174.85 1jyi s VAL 179 N -2.21 1.79 -0.77 3.83 1.01 0.12 -4.96 120.40 119.20 1jyi s VAL 179 Ca 0.71 -0.84 -0.26 0.00 0.00 0.00 0.00 61.98 61.60 1jyi s VAL 179 Cb -0.26 -1.58 0.04 0.00 0.00 0.00 0.00 36.38 34.57 1jyi s VAL 179 CO 0.49 0.50 1.26 -2.28 0.00 0.00 0.00 175.10 175.07 1jyi s HIS 180 N 0.68 2.38 -0.29 5.22 2.46 -1.26 -1.33 115.29 123.14 1jyi s HIS 180 Ca -0.12 -0.25 0.20 0.00 0.47 0.00 0.00 55.06 55.36 1jyi s HIS 180 Cb -0.16 -4.59 0.16 0.00 -0.13 0.00 0.00 32.58 27.86 1jyi s HIS 180 CO 0.03 -1.99 1.40 0.97 -2.47 0.00 0.00 174.74 172.67 1jyi h ILE 181 N 6.12 0.30 -2.32 0.89 6.09 -1.44 -3.48 117.51 123.68 1jyi h ILE 181 Ca -0.21 -1.45 0.02 0.00 -1.37 0.00 0.00 64.86 61.86 1jyi h ILE 181 Cb 1.05 2.05 -0.16 0.00 0.47 0.00 0.00 36.82 40.22 1jyi h ILE 181 CO 1.28 0.17 0.34 -1.66 -3.07 0.00 0.00 178.15 175.21 1jyi s TRP 182 N -3.14 -0.49 0.02 2.19 1.48 -1.24 -4.84 118.94 112.93 1jyi s TRP 182 Ca 0.04 0.54 -0.08 0.00 -1.06 0.00 0.00 56.10 55.54 1jyi s TRP 182 Cb 0.07 0.50 -0.00 0.00 -1.16 0.00 0.00 33.47 32.88 1jyi s TRP 182 CO 0.72 -0.62 0.15 -2.00 -4.06 0.00 0.00 176.95 171.14 1jyi s GLU 183 N -2.52 0.59 0.02 3.25 2.12 -1.26 -4.65 118.70 116.25 1jyi s GLU 183 Ca -0.01 -0.56 -0.12 0.00 0.36 0.00 0.00 54.97 54.63 1jyi s GLU 183 Cb -0.01 0.24 -0.07 0.00 0.26 0.00 0.00 34.13 34.56 1jyi s GLU 183 CO -0.04 -0.15 1.15 0.77 -0.54 0.00 0.00 175.26 176.45 1jyi h SER 184 N 3.83 -0.37 0.00 -1.70 0.02 -2.03 -3.20 113.55 110.10 1jyi h SER 184 Ca -0.32 0.01 -0.23 0.00 -0.84 0.00 0.00 61.79 60.41 1jyi h SER 184 Cb 1.19 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 1jyi h SER 184 CO 0.46 -0.26 1.37 -1.54 -1.14 0.00 0.00 176.83 175.71 1jyi n SER 185 N -3.22 3.73 -4.24 3.07 3.41 -1.26 -4.77 113.62 110.34 1jyi n SER 185 Ca -0.05 -2.17 -0.32 0.00 -0.26 0.00 0.00 58.87 56.07 1jyi n SER 185 Cb 0.17 -0.91 -0.17 0.00 -0.26 0.00 0.00 64.21 63.05 1jyi n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jyi s ALA 186 N 2.80 2.19 -0.03 7.33 0.00 -1.21 -0.10 121.76 132.74 1jyi s ALA 186 Ca 0.36 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 1jyi s ALA 186 Cb 0.13 -0.80 -0.32 0.00 0.00 0.00 0.00 23.12 22.12 1jyi s ALA 186 CO -0.02 0.31 0.75 0.28 0.00 0.00 0.00 175.76 177.08 1jyi h VAL 187 N 5.58 1.02 -2.48 0.00 2.07 -1.20 -3.46 116.25 117.79 1jyi h VAL 187 Ca -0.22 -2.56 -0.09 0.00 0.82 0.00 0.00 66.70 64.65 1jyi h VAL 187 Cb 1.23 2.83 -0.27 0.00 -1.52 0.00 0.00 31.29 33.56 1jyi h VAL 187 CO 0.47 0.85 -0.36 -0.69 0.02 0.00 0.00 177.57 177.86 1jyi s VAL 188 N -2.58 -0.66 -0.10 2.57 1.01 -1.21 -4.82 120.40 114.59 1jyi s VAL 188 Ca -0.14 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.03 1jyi s VAL 188 Cb 0.05 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1jyi s VAL 188 CO 0.88 0.06 -0.21 0.00 0.00 0.00 0.00 175.10 175.83 1jyi s ALA 189 N 2.62 2.30 0.08 5.51 0.00 -1.26 -2.02 121.76 129.00 1jyi s ALA 189 Ca -0.01 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 50.87 1jyi s ALA 189 Cb -0.12 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 22.10 1jyi s ALA 189 CO -0.13 0.30 0.27 -1.54 0.00 0.00 0.00 175.76 174.66 1jyi s SER 190 N 0.27 -0.04 -0.04 0.00 1.04 -0.81 -0.26 113.70 113.86 1jyi s SER 190 Ca -0.15 -0.43 -0.22 0.00 0.48 0.00 0.00 55.95 55.63 1jyi s SER 190 Cb -0.17 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.37 1jyi s SER 190 CO 0.07 -0.72 0.49 0.72 0.98 0.00 0.00 173.24 174.79 1jyi s PHE 191 N -3.41 -0.42 -0.08 5.02 -0.12 -0.96 -0.57 117.98 117.44 1jyi s PHE 191 Ca 0.01 0.74 -0.05 0.00 -0.05 0.00 0.00 56.93 57.58 1jyi s PHE 191 Cb 0.02 0.24 0.03 0.00 -0.63 0.00 0.00 43.02 42.68 1jyi s PHE 191 CO -0.09 -0.48 0.19 -1.83 -0.05 0.00 0.00 175.22 172.97 1jyi s GLU 192 N -1.13 0.19 0.04 1.99 -1.05 -0.51 -1.77 118.70 116.45 1jyi s GLU 192 Ca -0.11 0.35 0.05 0.00 -0.15 0.00 0.00 54.97 55.11 1jyi s GLU 192 Cb -0.03 -0.01 -0.02 0.00 -0.44 0.00 0.00 34.13 33.63 1jyi s GLU 192 CO 0.06 -0.09 -0.15 0.00 0.95 0.00 0.00 175.26 176.04 1jyi s ALA 193 N 0.61 1.27 0.08 -0.84 0.00 0.39 -1.56 121.76 121.70 1jyi s ALA 193 Ca -0.04 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1jyi s ALA 193 Cb -0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 1jyi s ALA 193 CO -0.03 0.25 -0.09 0.99 0.00 0.00 0.00 175.76 176.88 1jyi s THR 194 N -0.80 0.77 -0.24 0.00 2.01 -0.17 -1.20 115.64 116.01 1jyi s THR 194 Ca 0.03 -1.52 -0.27 0.00 0.31 0.00 0.00 61.69 60.24 1jyi s THR 194 Cb -0.08 -1.19 0.12 0.00 0.01 0.00 0.00 72.50 71.36 1jyi s THR 194 CO 0.01 -0.56 0.99 0.72 -0.69 0.00 0.00 174.62 175.09 1jyi s PHE 195 N -2.34 -0.48 -0.11 4.92 -0.71 -0.98 -1.13 117.98 117.15 1jyi s PHE 195 Ca 0.02 1.07 -0.03 0.00 -1.04 0.00 0.00 56.93 56.95 1jyi s PHE 195 Cb -0.03 0.38 -0.03 0.00 -1.21 0.00 0.00 43.02 42.12 1jyi s PHE 195 CO -0.01 -0.29 0.01 0.95 -1.34 0.00 0.00 175.22 174.55 1jyi s THR 196 N -0.17 4.39 0.20 -4.49 -4.23 -0.45 -1.32 115.64 109.58 1jyi s THR 196 Ca 0.01 -0.21 0.04 0.00 -1.18 0.00 0.00 61.69 60.36 1jyi s THR 196 Cb -0.04 -2.88 -0.05 0.00 1.34 0.00 0.00 72.50 70.87 1jyi s THR 196 CO -0.03 0.57 -0.05 0.72 -0.54 0.00 0.00 174.62 175.29 1jyi s PHE 197 N -0.51 1.49 -0.37 3.99 -0.12 -0.77 -0.62 117.98 121.07 1jyi s PHE 197 Ca 0.09 -0.82 0.01 0.00 -0.05 0.00 0.00 56.93 56.15 1jyi s PHE 197 Cb -0.12 -0.82 0.14 0.00 -0.63 0.00 0.00 43.02 41.60 1jyi s PHE 197 CO 0.02 0.05 0.23 -1.17 -0.05 0.00 0.00 175.22 174.30 1jyi s LEU 198 N -3.27 1.25 -0.44 -1.99 2.96 -0.25 -1.53 118.68 115.42 1jyi s LEU 198 Ca 0.24 -2.33 -0.24 0.00 -0.22 0.00 0.00 54.13 51.57 1jyi s LEU 198 Cb 0.04 -0.49 0.02 0.00 0.50 0.00 0.00 46.19 46.27 1jyi s LEU 198 CO 0.06 -0.29 0.86 -0.63 -1.32 0.00 0.00 176.35 175.03 1jyi s ILE 199 N 0.87 4.57 -0.08 6.68 1.01 -1.25 -3.46 121.20 129.54 1jyi s ILE 199 Ca 0.19 0.71 0.04 0.00 0.00 0.00 0.00 60.65 61.60 1jyi s ILE 199 Cb -0.20 -4.36 -0.01 0.00 0.01 0.00 0.00 42.46 37.90 1jyi s ILE 199 CO -0.01 -0.72 -0.23 -0.75 0.00 0.00 0.00 174.94 173.23 1jyi s LYS 200 N 3.50 2.86 -0.22 2.79 2.20 -1.16 -1.42 119.74 128.29 1jyi s LYS 200 Ca 0.34 -0.86 -0.02 0.00 -0.36 0.00 0.00 55.97 55.08 1jyi s LYS 200 Cb -0.11 -2.29 0.06 0.00 -1.51 0.00 0.00 37.83 33.98 1jyi s LYS 200 CO 0.23 0.29 0.02 0.45 -0.36 0.00 0.00 175.35 175.99 1jyi s SER 201 N 0.08 3.25 0.17 1.43 0.15 -1.26 -0.48 113.70 117.04 1jyi s SER 201 Ca -0.10 -1.00 -0.03 0.00 0.70 0.00 0.00 55.95 55.52 1jyi s SER 201 Cb -0.16 -0.75 0.04 0.00 -1.71 0.00 0.00 66.02 63.44 1jyi s SER 201 CO 0.06 -0.30 1.43 -0.65 1.20 0.00 0.00 173.24 174.97 1jyi h PRO 202 N 8.16 0.49 0.00 5.44 0.11 -1.97 -2.95 132.00 141.29 1jyi h PRO 202 Ca -0.16 -0.38 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1jyi h PRO 202 Cb 1.10 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jyi h PRO 202 CO 0.37 1.01 0.00 -0.40 -0.21 0.00 0.00 178.00 178.77 1jyi n ASP 203 N -3.87 0.00 0.00 -2.05 5.75 -1.26 -4.87 116.55 110.25 1jyi n ASP 203 Ca -0.05 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 1jyi n ASP 203 Cb 0.69 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 1jyi n ASP 203 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1jyi n SER 204 N -0.52 0.00 -3.86 -1.12 7.64 -1.11 -4.86 113.62 109.78 1jyi n SER 204 Ca 0.01 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1jyi n SER 204 Cb 0.00 -2.23 -0.13 0.00 -1.01 0.00 0.00 64.21 60.85 1jyi n SER 204 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1jyi s HIS 205 N -0.93 2.88 0.51 1.43 5.65 -1.26 -5.07 115.29 118.50 1jyi s HIS 205 Ca 0.00 -2.99 -0.21 0.00 0.25 0.00 0.00 55.06 52.11 1jyi s HIS 205 Cb 0.00 -2.51 -0.06 0.00 -1.18 0.00 0.00 32.58 28.83 1jyi s HIS 205 CO 0.00 -0.72 1.19 -2.14 -0.65 0.00 0.00 174.74 172.41 1jyi s PRO 206 N -0.31 3.49 0.00 2.88 0.02 -1.26 -3.82 135.00 136.00 1jyi s PRO 206 Ca 0.19 1.80 0.00 0.00 0.02 0.00 0.00 61.00 63.01 1jyi s PRO 206 Cb -0.21 -2.24 0.00 0.00 0.02 0.00 0.00 34.50 32.07 1jyi s PRO 206 CO -0.03 -0.78 0.00 0.00 -0.33 0.00 0.00 177.00 175.86 1jyi n ALA 207 N -0.88 0.00 0.00 -1.55 0.00 -1.25 -4.28 120.51 112.55 1jyi n ALA 207 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1jyi n ALA 207 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1jyi n ALA 207 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jyi n ASP 208 N 0.00 1.82 0.00 0.00 9.92 -0.19 -3.40 116.55 124.71 1jyi n ASP 208 Ca 0.00 -0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 1jyi n ASP 208 Cb 0.00 0.52 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 1jyi n ASP 208 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jyi n GLY 209 N 1.06 2.48 3.23 0.44 0.00 -1.24 -2.12 105.19 109.04 1jyi n GLY 209 Ca 0.00 -1.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.03 1jyi n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jyi s ILE 210 N -1.71 1.46 0.00 -0.61 1.01 -1.04 -2.54 121.20 117.79 1jyi s ILE 210 Ca 0.00 -1.38 -0.07 0.00 0.00 0.00 0.00 60.65 59.20 1jyi s ILE 210 Cb 0.00 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.13 1jyi s ILE 210 CO 0.00 -0.08 0.13 0.00 0.00 0.00 0.00 174.94 175.00 1jyi s ALA 211 N -1.13 -0.32 -0.19 9.38 0.00 0.64 -0.08 121.76 130.06 1jyi s ALA 211 Ca 0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 51.96 51.77 1jyi s ALA 211 Cb -0.10 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1jyi s ALA 211 CO 0.03 -0.21 0.05 0.12 0.00 0.00 0.00 175.76 175.75 1jyi s PHE 212 N -1.41 3.19 0.16 0.00 5.36 -0.82 -1.27 117.98 123.19 1jyi s PHE 212 Ca -0.15 -0.05 0.02 0.00 -0.96 0.00 0.00 56.93 55.79 1jyi s PHE 212 Cb -0.08 -2.09 -0.04 0.00 -0.34 0.00 0.00 43.02 40.47 1jyi s PHE 212 CO 0.02 0.05 -0.01 -0.59 -1.46 0.00 0.00 175.22 173.23 1jyi s PHE 213 N 0.58 1.13 -0.07 10.12 -0.71 -0.12 -1.83 117.98 127.09 1jyi s PHE 213 Ca 0.03 -1.01 0.01 0.00 -1.04 0.00 0.00 56.93 54.91 1jyi s PHE 213 Cb -0.13 -0.64 0.02 0.00 -1.21 0.00 0.00 43.02 41.05 1jyi s PHE 213 CO 0.01 -0.22 -0.09 0.42 -1.34 0.00 0.00 175.22 174.01 1jyi s ILE 214 N -3.68 0.94 0.32 -4.49 1.01 -0.20 -1.82 121.20 113.29 1jyi s ILE 214 Ca 0.22 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.54 1jyi s ILE 214 Cb 0.06 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 1jyi s ILE 214 CO 0.02 0.33 0.41 -0.94 0.00 0.00 0.00 174.94 174.76 1jyi s SER 215 N 1.06 0.96 0.65 3.58 1.04 -0.72 -1.96 113.70 118.30 1jyi s SER 215 Ca -0.08 -1.50 -0.17 0.00 0.48 0.00 0.00 55.95 54.68 1jyi s SER 215 Cb -0.14 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.58 1jyi s SER 215 CO -0.01 -1.20 1.22 0.54 0.98 0.00 0.00 173.24 174.77 1jyi s ASN 216 N -3.25 4.77 0.33 7.02 4.22 -1.24 -0.77 114.94 126.02 1jyi s ASN 216 Ca 0.33 2.41 0.11 0.00 -2.14 0.00 0.00 52.86 53.58 1jyi s ASN 216 Cb 0.01 -2.60 0.99 0.00 1.28 0.00 0.00 41.25 40.93 1jyi s ASN 216 CO 0.21 -1.88 1.66 0.40 -2.04 0.00 0.00 177.10 175.44 1jyi h ILE 217 N 0.43 0.30 -0.70 0.54 2.04 -1.84 -2.04 117.51 116.24 1jyi h ILE 217 Ca -0.50 -0.10 -0.28 0.00 1.00 0.00 0.00 64.86 64.98 1jyi h ILE 217 Cb 1.30 -0.02 -0.17 0.00 -0.74 0.00 0.00 36.82 37.20 1jyi h ILE 217 CO 0.53 0.05 0.36 -0.90 0.00 0.00 0.00 178.15 178.19 1jyi n ASP 218 N -5.10 4.06 -4.72 1.72 5.75 -1.26 -4.85 116.55 112.15 1jyi n ASP 218 Ca 0.29 -3.13 -0.42 0.00 -0.01 0.00 0.00 54.79 51.52 1jyi n ASP 218 Cb 0.91 -0.74 -0.03 0.00 -1.03 0.00 0.00 41.12 40.23 1jyi n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1jyi s SER 219 N -0.80 6.64 0.12 -1.12 0.15 -0.77 -5.03 113.70 112.89 1jyi s SER 219 Ca 0.46 2.54 0.05 0.00 0.70 0.00 0.00 55.95 59.70 1jyi s SER 219 Cb 0.38 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 1jyi s SER 219 CO 0.10 -0.79 -0.12 -0.94 1.20 0.00 0.00 173.24 172.69 1jyi s SER 220 N 1.23 1.78 -0.09 5.45 1.04 -1.26 -5.07 113.70 116.77 1jyi s SER 220 Ca 0.69 -0.86 -0.35 0.00 0.48 0.00 0.00 55.95 55.91 1jyi s SER 220 Cb -0.42 -0.03 -0.13 0.00 0.10 0.00 0.00 66.02 65.54 1jyi s SER 220 CO 0.31 -0.23 1.80 -0.38 0.98 0.00 0.00 173.24 175.73 1jyi n ILE 221 N 0.37 0.44 -1.90 -1.02 5.41 -1.26 -4.95 119.36 116.44 1jyi n ILE 221 Ca -0.14 -0.08 -0.33 0.00 1.00 0.00 0.00 62.75 63.20 1jyi n ILE 221 Cb 0.58 -1.67 0.03 0.00 -0.71 0.00 0.00 39.64 37.87 1jyi n ILE 221 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1jyi s PRO 222 N 3.49 3.03 0.30 0.38 0.02 -1.26 -4.97 135.00 135.98 1jyi s PRO 222 Ca 0.92 1.34 -0.30 0.00 0.02 0.00 0.00 61.00 62.98 1jyi s PRO 222 Cb -0.78 -1.98 -0.12 0.00 0.02 0.00 0.00 34.50 31.64 1jyi s PRO 222 CO 0.53 -1.06 1.53 0.43 -0.33 0.00 0.00 177.00 178.10 1jyi n SER 223 N -2.18 3.57 -0.09 2.53 7.64 -1.26 -2.23 113.62 121.60 1jyi n SER 223 Ca 0.10 1.16 -0.01 0.00 1.01 0.00 0.00 58.87 61.13 1jyi n SER 223 Cb 0.52 -1.56 -0.00 0.00 -1.01 0.00 0.00 64.21 62.16 1jyi n SER 223 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jyi n GLY 224 N 1.84 0.09 0.85 0.23 0.00 -1.26 -4.77 105.19 102.18 1jyi n GLY 224 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1jyi n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jyi n SER 225 N -0.34 1.52 -3.34 1.61 3.41 -0.95 -4.77 113.62 110.76 1jyi n SER 225 Ca -0.01 -1.26 -0.21 0.00 -0.26 0.00 0.00 58.87 57.13 1jyi n SER 225 Cb 0.42 -0.32 0.15 0.00 -0.26 0.00 0.00 64.21 64.20 1jyi n SER 225 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1jyi n THR 226 N 0.54 0.00 0.00 6.66 5.66 -1.26 0.43 114.28 126.31 1jyi n THR 226 Ca 0.00 -0.69 0.00 0.00 -3.05 0.00 0.00 64.05 60.31 1jyi n THR 226 Cb 0.27 -1.65 0.00 0.00 -1.55 0.00 0.00 70.33 67.40 1jyi n THR 226 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1jyi n GLY 227 N -1.18 2.85 0.00 1.09 0.00 -0.67 -1.88 105.19 105.39 1jyi n GLY 227 Ca 0.12 0.09 0.01 0.00 0.00 0.00 0.00 46.02 46.24 1jyi n GLY 227 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1jyi n ARG 228 N 14.00 0.04 0.00 1.61 1.85 -1.26 -2.05 116.66 130.85 1jyi n ARG 228 Ca 0.00 0.22 0.13 0.00 -1.00 0.00 0.00 57.85 57.20 1jyi n ARG 228 Cb 0.00 -1.50 0.34 0.00 -1.05 0.00 0.00 32.46 30.25 1jyi n ARG 228 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1jyi n LEU 229 N -1.24 2.04 -2.41 2.89 4.77 -0.79 -4.94 117.00 117.32 1jyi n LEU 229 Ca 0.01 -0.68 -0.09 0.00 -0.03 0.00 0.00 56.01 55.22 1jyi n LEU 229 Cb 0.02 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1jyi n LEU 229 CO 0.02 0.34 -0.11 0.18 -1.33 0.00 0.00 177.39 176.49 1jyi n LEU 230 N 0.55 -0.82 -2.60 2.23 4.77 -0.87 -1.48 117.00 118.77 1jyi n LEU 230 Ca 0.16 0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 56.27 1jyi n LEU 230 Cb 0.45 -1.82 -0.00 0.00 -2.33 0.00 0.00 43.42 39.72 1jyi n LEU 230 CO 0.17 -0.11 -0.14 0.61 -1.33 0.00 0.00 177.39 176.59 1jyi n GLY 231 N -0.70 -0.50 0.01 -0.72 0.00 0.17 -4.20 105.19 99.26 1jyi n GLY 231 Ca -0.11 0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 1jyi n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jyi n LEU 232 N -3.04 2.99 -4.41 0.99 4.77 -0.55 -4.65 117.00 113.10 1jyi n LEU 232 Ca -0.14 -0.02 -0.25 0.00 -0.03 0.00 0.00 56.01 55.58 1jyi n LEU 232 Cb 0.61 -0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 1jyi n LEU 232 CO 0.25 0.55 -0.51 -0.36 -1.33 0.00 0.00 177.39 175.99 1jyi s PHE 233 N -2.06 2.17 -0.47 -1.77 0.08 -1.21 -4.86 117.98 109.85 1jyi s PHE 233 Ca -0.04 -0.39 0.24 0.00 0.12 0.00 0.00 56.93 56.86 1jyi s PHE 233 Cb 0.01 -1.04 0.24 0.00 -0.57 0.00 0.00 43.02 41.66 1jyi s PHE 233 CO 0.07 0.50 1.28 -1.00 -0.10 0.00 0.00 175.22 175.97 1jyi h PRO 234 N 2.99 0.00 -3.59 0.24 0.13 -1.93 -3.40 132.00 126.45 1jyi h PRO 234 Ca -0.44 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 1jyi h PRO 234 Cb 1.22 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 1jyi h PRO 234 CO 0.52 0.00 -0.21 0.16 -0.23 0.00 0.00 178.00 178.23 1jyi s ASP 235 N -4.89 -0.07 -0.04 1.44 1.47 -1.26 -4.86 116.67 108.47 1jyi s ASP 235 Ca 0.04 -0.47 0.02 0.00 1.18 0.00 0.00 52.55 53.32 1jyi s ASP 235 Cb 0.11 0.41 0.12 0.00 -0.34 0.00 0.00 42.92 43.22 1jyi s ASP 235 CO 0.73 -0.79 0.71 0.00 0.68 0.00 0.00 175.17 176.51 1jyi n ALA 236 N -0.14 2.73 0.36 2.11 0.00 -1.26 -4.67 120.51 119.63 1jyi n ALA 236 Ca -0.16 -0.30 0.03 0.00 0.00 0.00 0.00 53.44 53.01 1jyi n ALA 236 Cb 0.63 -1.02 0.17 0.00 0.00 0.00 0.00 19.45 19.23 1jyi n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59