#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 5.24 -0.33 0.00 1.11 -1.26 -4.97 116.67 116.47 1jyi s ASP 2 Ca 0.00 -0.47 -0.17 0.00 0.18 0.00 0.00 52.55 52.10 1jyi s ASP 2 Cb 0.00 -1.93 -0.01 0.00 1.07 0.00 0.00 42.92 42.05 1jyi s ASP 2 CO 0.00 -0.13 0.45 -0.89 1.18 0.00 0.00 175.17 175.77 1jyi s THR 3 N 1.58 5.09 0.13 -1.27 2.01 -1.26 -5.02 115.64 116.90 1jyi s THR 3 Ca 0.05 0.32 0.09 0.00 0.31 0.00 0.00 61.69 62.45 1jyi s THR 3 Cb -0.16 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1jyi s THR 3 CO 0.04 -0.11 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.09 1jyi s ILE 4 N 2.23 3.03 -0.07 1.82 -1.09 -1.26 -3.53 121.20 122.33 1jyi s ILE 4 Ca 0.16 -1.51 -0.03 0.00 -2.23 0.00 0.00 60.65 57.04 1jyi s ILE 4 Cb -0.16 -2.43 0.04 0.00 -1.58 0.00 0.00 42.46 38.33 1jyi s ILE 4 CO 0.12 0.04 0.13 -0.69 -1.23 0.00 0.00 174.94 173.31 1jyi s VAL 5 N -1.32 -0.19 0.02 2.92 1.01 -0.60 -0.82 120.40 121.41 1jyi s VAL 5 Ca 0.21 0.34 -0.09 0.00 0.00 0.00 0.00 61.98 62.44 1jyi s VAL 5 Cb -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1jyi s VAL 5 CO 0.12 0.14 0.17 0.00 0.00 0.00 0.00 175.10 175.54 1jyi s ALA 6 N 2.08 -0.35 -0.29 5.51 0.00 -0.03 -0.22 121.76 128.46 1jyi s ALA 6 Ca 0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 1jyi s ALA 6 Cb -0.12 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.22 1jyi s ALA 6 CO -0.05 -0.28 0.02 0.08 0.00 0.00 0.00 175.76 175.53 1jyi s VAL 7 N -1.95 3.35 -0.07 0.00 1.01 0.04 0.20 120.40 122.98 1jyi s VAL 7 Ca -0.10 -1.08 -0.04 0.00 0.00 0.00 0.00 61.98 60.76 1jyi s VAL 7 Cb -0.04 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1jyi s VAL 7 CO -0.01 -0.00 0.13 -1.83 0.00 0.00 0.00 175.10 173.39 1jyi s GLU 8 N 1.36 3.34 -0.52 2.72 -1.05 -0.49 -1.09 118.70 122.97 1jyi s GLU 8 Ca -0.01 -0.26 -0.06 0.00 -0.15 0.00 0.00 54.97 54.48 1jyi s GLU 8 Cb -0.18 -3.07 0.13 0.00 -0.44 0.00 0.00 34.13 30.57 1jyi s GLU 8 CO -0.00 0.72 0.36 -0.51 0.95 0.00 0.00 175.26 176.78 1jyi s LEU 9 N -1.36 5.52 -0.25 1.83 1.02 0.77 -1.62 118.68 124.59 1jyi s LEU 9 Ca 0.19 -2.25 -0.13 0.00 0.02 0.00 0.00 54.13 51.95 1jyi s LEU 9 Cb -0.12 -1.93 -0.04 0.00 0.02 0.00 0.00 46.19 44.12 1jyi s LEU 9 CO 0.09 -0.55 0.30 -0.62 0.02 0.00 0.00 176.35 175.59 1jyi s ASP 10 N 1.86 6.21 -0.03 2.29 -1.08 0.54 -1.89 116.67 124.57 1jyi s ASP 10 Ca 0.10 0.24 0.22 0.00 -0.52 0.00 0.00 52.55 52.59 1jyi s ASP 10 Cb -0.22 -2.18 -0.33 0.00 -1.46 0.00 0.00 42.92 38.73 1jyi s ASP 10 CO -0.03 -0.09 0.53 0.35 0.52 0.00 0.00 175.17 176.45 1jyi n THR 11 N 4.82 0.00 -5.15 1.71 -2.24 -1.22 -0.38 114.28 111.82 1jyi n THR 11 Ca -0.11 -0.45 -0.32 0.00 -2.27 0.00 0.00 64.05 60.91 1jyi n THR 11 Cb 0.51 0.11 -0.16 0.00 -2.10 0.00 0.00 70.33 68.69 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 -3.46 2.56 -1.00 4.78 5.04 -1.25 -4.49 117.35 119.53 1jyi s TYR 12 Ca -0.06 -0.79 -0.22 0.00 -2.44 0.00 0.00 57.07 53.56 1jyi s TYR 12 Cb 0.14 -1.68 0.06 0.00 0.35 0.00 0.00 41.96 40.84 1jyi s TYR 12 CO 0.90 -0.26 1.39 -1.25 -1.34 0.00 0.00 175.55 174.99 1jyi s PRO 13 N 0.05 3.58 -1.30 4.97 0.04 -1.26 -4.92 135.00 136.16 1jyi s PRO 13 Ca -0.09 -1.23 -0.11 0.00 0.04 0.00 0.00 61.00 59.62 1jyi s PRO 13 Cb -0.15 -5.26 0.15 0.00 0.04 0.00 0.00 34.50 29.27 1jyi s PRO 13 CO 0.06 -2.13 1.89 0.09 0.04 0.00 0.00 177.00 176.95 1jyi n ASN 14 N 8.46 4.90 0.26 6.66 4.13 -1.26 -4.74 115.26 133.67 1jyi n ASN 14 Ca 0.31 -3.05 0.16 0.00 1.68 0.00 0.00 54.58 53.67 1jyi n ASN 14 Cb 0.51 -1.52 0.84 0.00 -1.54 0.00 0.00 39.78 38.07 1jyi n ASN 14 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1jyi h THR 15 N 3.90 0.00 0.00 3.41 1.35 -1.86 -0.79 112.91 118.92 1jyi h THR 15 Ca 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.28 1jyi h THR 15 Cb 0.66 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1jyi h THR 15 CO 1.63 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 176.00 1jyi n ASP 16 N -2.65 0.00 -0.12 5.36 5.75 -1.26 -2.79 116.55 120.84 1jyi n ASP 16 Ca -0.02 -0.02 0.01 0.00 -0.01 0.00 0.00 54.79 54.75 1jyi n ASP 16 Cb 0.14 -0.25 0.01 0.00 -1.03 0.00 0.00 41.12 39.99 1jyi n ASP 16 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1jyi n ILE 17 N -1.25 0.33 0.00 2.12 -5.35 -0.31 -5.03 119.36 109.87 1jyi n ILE 17 Ca 0.09 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1jyi n ILE 17 Cb 0.13 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 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 -0.21 1.17 3.66 3.28 0.00 -1.12 -4.75 105.19 107.22 1jyi n GLY 18 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1jyi n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jyi n ASP 19 N 0.00 1.85 -4.76 1.61 8.00 -1.16 -4.91 116.55 117.18 1jyi n ASP 19 Ca 0.00 1.03 -0.30 0.00 0.71 0.00 0.00 54.79 56.23 1jyi n ASP 19 Cb 0.00 -1.44 0.10 0.00 -0.02 0.00 0.00 41.12 39.76 1jyi n ASP 19 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1jyi s PRO 20 N -2.27 1.95 0.00 -0.24 0.02 -1.26 -3.99 135.00 129.21 1jyi s PRO 20 Ca 0.65 0.93 -0.03 0.00 0.02 0.00 0.00 61.00 62.57 1jyi s PRO 20 Cb -0.51 -1.88 -0.14 0.00 0.02 0.00 0.00 34.50 31.99 1jyi s PRO 20 CO 0.55 -1.79 2.40 0.43 -0.33 0.00 0.00 177.00 178.26 1jyi n SER 21 N -3.59 3.78 -3.60 2.53 7.64 -1.26 -4.63 113.62 114.49 1jyi n SER 21 Ca 0.08 -2.15 0.01 0.00 1.01 0.00 0.00 58.87 57.81 1jyi n SER 21 Cb 0.54 -0.96 -0.01 0.00 -1.01 0.00 0.00 64.21 62.77 1jyi n SER 21 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1jyi s TYR 22 N 1.30 -0.03 0.65 1.43 -0.85 -1.26 -5.03 117.35 113.57 1jyi s TYR 22 Ca 0.35 -0.00 -0.18 0.00 -0.52 0.00 0.00 57.07 56.73 1jyi s TYR 22 Cb 0.17 0.51 -0.01 0.00 0.38 0.00 0.00 41.96 43.02 1jyi s TYR 22 CO 0.00 -0.10 1.26 -2.14 -1.52 0.00 0.00 175.55 173.05 1jyi s PRO 23 N -2.17 2.54 0.23 -3.49 0.02 -1.26 -4.60 135.00 126.26 1jyi s PRO 23 Ca 0.13 1.97 -0.22 0.00 0.02 0.00 0.00 61.00 62.90 1jyi s PRO 23 Cb 0.04 -1.86 0.04 0.00 0.02 0.00 0.00 34.50 32.74 1jyi s PRO 23 CO -0.05 -1.58 0.79 -3.38 -0.33 0.00 0.00 177.00 172.45 1jyi s HIS 24 N -1.53 -0.19 0.05 6.54 -3.43 0.49 -2.48 115.29 114.73 1jyi s HIS 24 Ca 0.80 -0.20 0.08 0.00 -0.80 0.00 0.00 55.06 54.95 1jyi s HIS 24 Cb -0.35 0.68 -0.03 0.00 -1.43 0.00 0.00 32.58 31.45 1jyi s HIS 24 CO 0.40 -1.08 -0.22 0.96 -2.00 0.00 0.00 174.74 172.79 1jyi s ILE 25 N -3.70 2.46 0.29 -5.38 -4.36 -0.80 -0.34 121.20 109.36 1jyi s ILE 25 Ca 0.11 -1.30 -0.07 0.00 -0.26 0.00 0.00 60.65 59.12 1jyi s ILE 25 Cb -0.04 -2.00 -0.00 0.00 1.25 0.00 0.00 42.46 41.66 1jyi s ILE 25 CO 0.04 0.34 0.46 -0.83 0.24 0.00 0.00 174.94 175.19 1jyi s GLY 26 N -1.36 1.05 -0.26 6.27 0.00 -0.64 -1.82 107.32 110.57 1jyi s GLY 26 Ca 0.13 -1.25 0.03 0.00 0.00 0.00 0.00 44.72 43.63 1jyi s GLY 26 CO 0.04 -0.86 -0.10 -0.42 0.00 0.00 0.00 173.10 171.76 1jyi s ILE 27 N -3.51 2.09 -0.16 0.90 1.01 -0.53 -1.39 121.20 119.61 1jyi s ILE 27 Ca 0.27 -1.60 -0.15 0.00 0.00 0.00 0.00 60.65 59.17 1jyi s ILE 27 Cb 0.00 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1jyi s ILE 27 CO 0.15 -0.05 0.35 -1.81 0.00 0.00 0.00 174.94 173.57 1jyi s ASP 28 N 1.14 6.49 -0.43 3.58 1.01 0.13 -0.75 116.67 127.83 1jyi s ASP 28 Ca -0.08 0.57 0.03 0.00 0.71 0.00 0.00 52.55 53.78 1jyi s ASP 28 Cb -0.20 -2.21 0.12 0.00 1.01 0.00 0.00 42.92 41.64 1jyi s ASP 28 CO -0.05 0.04 0.18 -0.63 0.21 0.00 0.00 175.17 174.92 1jyi s ILE 29 N 0.67 2.17 -2.10 0.77 -1.09 -1.26 -0.85 121.20 119.51 1jyi s ILE 29 Ca 0.19 -2.75 0.00 0.00 -2.23 0.00 0.00 60.65 55.86 1jyi s ILE 29 Cb -0.14 -2.55 0.00 0.00 -1.58 0.00 0.00 42.46 38.19 1jyi s ILE 29 CO 0.06 -0.74 0.00 0.29 -1.23 0.00 0.00 174.94 173.32 1jyi n LYS 30 N 3.67 -1.47 -3.64 2.79 5.02 -0.00 -4.94 118.16 119.58 1jyi n LYS 30 Ca 0.05 1.17 -0.09 0.00 -2.02 0.00 0.00 58.31 57.41 1jyi n LYS 30 Cb 0.36 -5.58 -0.07 0.00 -0.02 0.00 0.00 35.03 29.73 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 -2.64 -0.83 0.25 4.39 0.15 -1.26 -4.93 113.70 108.84 1jyi s SER 31 Ca 0.00 1.42 0.19 0.00 0.70 0.00 0.00 55.95 58.26 1jyi s SER 31 Cb 0.00 1.39 0.95 0.00 -1.71 0.00 0.00 66.02 66.65 1jyi s SER 31 CO 0.00 -0.23 1.57 0.55 1.20 0.00 0.00 173.24 176.33 1jyi n VAL 32 N 3.58 1.13 -2.89 4.45 3.14 -1.26 -3.97 118.33 122.51 1jyi n VAL 32 Ca -0.17 0.59 -0.44 0.00 -2.96 0.00 0.00 64.34 61.36 1jyi n VAL 32 Cb 0.57 -1.57 -0.02 0.00 -1.06 0.00 0.00 33.84 31.77 1jyi n VAL 32 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1jyi s ARG 33 N -3.41 3.77 0.36 1.45 0.52 -1.26 -4.99 118.95 115.39 1jyi s ARG 33 Ca -0.00 -1.99 -0.14 0.00 -0.52 0.00 0.00 55.73 53.08 1jyi s ARG 33 Cb 0.06 -5.03 -0.11 0.00 0.52 0.00 0.00 34.95 30.39 1jyi s ARG 33 CO 0.21 -1.83 -0.07 0.43 0.02 0.00 0.00 175.30 174.06 1jyi n SER 34 N 6.52 -2.64 0.05 0.23 7.64 -1.25 -4.86 113.62 119.31 1jyi n SER 34 Ca 0.30 0.51 -0.19 0.00 1.01 0.00 0.00 58.87 60.50 1jyi n SER 34 Cb 0.47 -0.64 -0.14 0.00 -1.01 0.00 0.00 64.21 62.89 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 0.03 0.27 -3.42 1.43 1.79 -1.27 -3.47 116.57 111.93 1jyi h LYS 35 Ca -0.30 -0.46 -0.24 0.00 -2.18 0.00 0.00 60.65 57.47 1jyi h LYS 35 Cb 1.08 0.17 -0.30 0.00 -1.58 0.00 0.00 32.23 31.60 1jyi h LYS 35 CO 0.32 1.13 -0.63 0.21 -1.08 0.00 0.00 179.45 179.39 1jyi s LYS 36 N -2.59 0.07 0.42 3.15 2.47 -1.25 -5.00 119.74 117.01 1jyi s LYS 36 Ca -0.13 0.22 0.02 0.00 -1.56 0.00 0.00 55.97 54.52 1jyi s LYS 36 Cb 0.06 -0.09 -0.01 0.00 -1.46 0.00 0.00 37.83 36.34 1jyi s LYS 36 CO 0.83 -0.10 0.07 0.25 0.16 0.00 0.00 175.35 176.57 1jyi n THR 37 N 3.67 0.00 -3.64 3.43 -2.24 -1.26 -1.45 114.28 112.78 1jyi n THR 37 Ca -0.20 -2.20 -0.04 0.00 -2.27 0.00 0.00 64.05 59.34 1jyi n THR 37 Cb 0.55 0.62 -0.07 0.00 -2.10 0.00 0.00 70.33 69.33 1jyi n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jyi s ALA 38 N -2.92 -2.20 0.42 6.98 0.00 -0.76 -4.95 121.76 118.34 1jyi s ALA 38 Ca 0.10 2.12 -0.25 0.00 0.00 0.00 0.00 51.96 53.93 1jyi s ALA 38 Cb 0.00 -1.65 -0.10 0.00 0.00 0.00 0.00 23.12 21.38 1jyi s ALA 38 CO 0.07 -0.31 1.16 1.17 0.00 0.00 0.00 175.76 177.84 1jyi n LYS 39 N 3.31 1.66 -3.63 0.00 4.81 -1.26 -1.91 118.16 121.13 1jyi n LYS 39 Ca -0.17 0.59 -0.23 0.00 -0.87 0.00 0.00 58.31 57.63 1jyi n LYS 39 Cb 0.57 -2.23 -0.17 0.00 0.02 0.00 0.00 35.03 33.22 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 -1.23 0.10 -1.35 5.64 -0.00 -1.03 -4.79 118.94 116.28 1jyi s TRP 40 Ca 0.62 -0.02 -0.17 0.00 -0.00 0.00 0.00 56.10 56.53 1jyi s TRP 40 Cb -0.53 -0.58 0.06 0.00 -0.00 0.00 0.00 33.47 32.42 1jyi s TRP 40 CO 0.57 -0.38 1.90 0.09 -0.00 0.00 0.00 176.95 179.13 1jyi n ASN 41 N 5.29 4.57 -4.73 5.86 3.02 -1.26 -4.48 115.26 123.52 1jyi n ASN 41 Ca -0.05 -2.89 -0.40 0.00 -0.03 0.00 0.00 54.58 51.20 1jyi n ASN 41 Cb 0.49 -1.72 0.01 0.00 -0.61 0.00 0.00 39.78 37.96 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 7.65 2.11 -3.89 3.52 0.00 -1.26 -4.99 117.12 120.26 1jyi n MET 42 Ca 0.50 0.75 -0.29 0.00 -0.00 0.00 0.00 57.70 58.66 1jyi n MET 42 Cb 0.44 -2.51 -0.13 0.00 0.00 0.00 0.00 33.22 31.01 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 -2.32 2.02 -0.25 2.12 -0.21 -1.26 -5.07 119.66 114.68 1jyi s GLN 43 Ca 0.61 -2.76 -0.42 0.00 0.02 0.00 0.00 55.36 52.81 1jyi s GLN 43 Cb -0.48 -3.18 -0.18 0.00 1.00 0.00 0.00 33.01 30.17 1jyi s GLN 43 CO 0.58 -1.18 1.53 -1.71 -2.12 0.00 0.00 175.29 172.39 1jyi n ASN 44 N 2.80 1.51 0.00 5.90 5.15 -1.26 -1.12 115.26 128.24 1jyi n ASN 44 Ca 0.11 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 55.22 1jyi n ASN 44 Cb 0.34 -1.03 0.00 0.00 -0.53 0.00 0.00 39.78 38.56 1jyi n ASN 44 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jyi n GLY 45 N 3.45 2.76 3.88 8.20 0.00 -0.81 -4.96 105.19 117.72 1jyi n GLY 45 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.02 3.73 -0.21 1.61 -0.14 -0.27 -4.90 119.74 119.53 1jyi s LYS 46 Ca 0.00 0.39 -0.18 0.00 -1.36 0.00 0.00 55.97 54.83 1jyi s LYS 46 Cb 0.00 -2.40 -0.03 0.00 -1.68 0.00 0.00 37.83 33.71 1jyi s LYS 46 CO 0.00 -0.05 0.49 0.08 -0.76 0.00 0.00 175.35 175.11 1jyi s VAL 47 N -2.42 5.12 0.39 3.17 1.01 -1.26 -4.27 120.40 122.14 1jyi s VAL 47 Ca 0.50 0.88 0.07 0.00 0.00 0.00 0.00 61.98 63.44 1jyi s VAL 47 Cb -0.10 -3.81 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 1jyi s VAL 47 CO 0.34 0.17 -0.01 -0.83 0.00 0.00 0.00 175.10 174.77 1jyi s GLY 48 N 1.23 2.43 0.19 4.51 0.00 -0.56 -4.53 107.32 110.58 1jyi s GLY 48 Ca 0.22 -2.25 0.11 0.00 0.00 0.00 0.00 44.72 42.79 1jyi s GLY 48 CO 0.09 -2.07 -0.19 -1.59 0.00 0.00 0.00 173.10 169.34 1jyi s THR 49 N -2.73 2.65 -0.01 0.90 2.01 -0.16 -1.85 115.64 116.45 1jyi s THR 49 Ca 0.35 -1.90 0.01 0.00 0.31 0.00 0.00 61.69 60.46 1jyi s THR 49 Cb 0.09 -2.29 0.01 0.00 0.01 0.00 0.00 72.50 70.32 1jyi s THR 49 CO 0.18 -0.11 -0.03 0.00 -0.69 0.00 0.00 174.62 173.96 1jyi s ALA 50 N -1.68 0.35 -0.20 7.40 0.00 -0.81 -1.00 121.76 125.82 1jyi s ALA 50 Ca 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 1jyi s ALA 50 Cb -0.08 -0.18 0.06 0.00 0.00 0.00 0.00 23.12 22.92 1jyi s ALA 50 CO 0.12 0.03 -0.01 -1.01 0.00 0.00 0.00 175.76 174.88 1jyi s HIS 51 N 0.31 1.64 -0.14 0.00 3.76 0.31 -2.78 115.29 118.39 1jyi s HIS 51 Ca -0.03 -1.21 -0.07 0.00 -0.15 0.00 0.00 55.06 53.60 1jyi s HIS 51 Cb -0.06 -1.27 -0.04 0.00 1.11 0.00 0.00 32.58 32.31 1jyi s HIS 51 CO -0.01 -0.66 0.12 0.42 -0.85 0.00 0.00 174.74 173.76 1jyi s ILE 52 N 1.65 5.31 0.04 0.60 1.09 -0.50 -1.22 121.20 128.16 1jyi s ILE 52 Ca -0.02 0.14 0.05 0.00 -1.10 0.00 0.00 60.65 59.72 1jyi s ILE 52 Cb -0.17 -3.33 -0.02 0.00 -1.06 0.00 0.00 42.46 37.87 1jyi s ILE 52 CO -0.07 0.57 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.56 1jyi s ILE 53 N -0.61 1.20 -0.18 2.92 1.01 0.27 -1.57 121.20 124.24 1jyi s ILE 53 Ca 0.12 -1.05 -0.28 0.00 0.00 0.00 0.00 60.65 59.44 1jyi s ILE 53 Cb -0.12 -1.08 0.09 0.00 0.01 0.00 0.00 42.46 41.37 1jyi s ILE 53 CO 0.02 0.02 0.83 -0.47 0.00 0.00 0.00 174.94 175.35 1jyi s TYR 54 N -0.87 -0.59 -0.18 3.97 5.04 -1.00 -1.19 117.35 122.54 1jyi s TYR 54 Ca 0.02 1.22 -0.21 0.00 -2.44 0.00 0.00 57.07 55.67 1jyi s TYR 54 Cb -0.08 0.37 0.06 0.00 0.35 0.00 0.00 41.96 42.66 1jyi s TYR 54 CO 0.01 -0.41 0.57 0.54 -1.34 0.00 0.00 175.55 174.92 1jyi s ASN 55 N -0.48 -0.57 0.00 4.32 2.20 -1.26 -1.55 114.94 117.59 1jyi s ASN 55 Ca -0.03 1.01 0.23 0.00 -0.94 0.00 0.00 52.86 53.13 1jyi s ASN 55 Cb -0.02 1.02 1.08 0.00 -2.00 0.00 0.00 41.25 41.33 1jyi s ASN 55 CO 0.03 -0.27 1.74 -1.54 -2.94 0.00 0.00 177.10 174.11 1jyi n SER 56 N 2.40 0.00 -0.04 3.54 3.41 0.28 -1.29 113.62 121.93 1jyi n SER 56 Ca -0.15 0.18 -0.14 0.00 -0.26 0.00 0.00 58.87 58.50 1jyi n SER 56 Cb 0.56 -0.37 -0.12 0.00 -0.26 0.00 0.00 64.21 64.02 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 1.59 0.00 -3.33 2.07 -1.89 -3.33 116.25 111.36 1jyi h VAL 57 Ca 0.00 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.63 1jyi h VAL 57 Cb 0.29 2.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1jyi h VAL 57 CO 0.00 0.51 -0.83 0.44 0.02 0.00 0.00 177.57 177.71 1jyi h ASP 58 N -0.64 0.00 -6.57 0.57 3.32 -1.98 -3.48 116.42 107.63 1jyi h ASP 58 Ca -0.02 -0.07 -0.52 0.00 0.02 0.00 0.00 57.03 56.45 1jyi h ASP 58 Cb 0.90 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.34 1jyi h ASP 58 CO 0.02 0.03 -0.86 0.29 -1.72 0.00 0.00 179.24 177.01 1jyi n LYS 59 N -2.53 -3.39 -4.85 3.56 5.02 -0.41 -4.87 118.16 110.69 1jyi n LYS 59 Ca 0.01 0.40 -0.28 0.00 -2.02 0.00 0.00 58.31 56.43 1jyi n LYS 59 Cb 0.51 -4.78 -0.17 0.00 -0.02 0.00 0.00 35.03 30.58 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 -6.70 2.23 -0.31 1.97 3.52 -1.25 -0.34 118.95 118.07 1jyi s ARG 60 Ca 0.30 -0.61 -0.08 0.00 -0.13 0.00 0.00 55.73 55.20 1jyi s ARG 60 Cb -0.16 -1.76 0.00 0.00 -1.56 0.00 0.00 34.95 31.47 1jyi s ARG 60 CO 0.90 0.10 0.12 -1.17 -0.81 0.00 0.00 175.30 174.44 1jyi s LEU 61 N 0.50 4.02 0.32 -0.88 2.96 -0.27 -4.10 118.68 121.22 1jyi s LEU 61 Ca -0.16 -0.62 0.10 0.00 -0.22 0.00 0.00 54.13 53.23 1jyi s LEU 61 Cb -0.16 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 1jyi s LEU 61 CO 0.06 -0.20 -0.06 -0.44 -1.32 0.00 0.00 176.35 174.38 1jyi s SER 62 N 1.56 4.01 -0.02 3.68 0.01 -0.34 -1.14 113.70 121.46 1jyi s SER 62 Ca 0.04 -0.99 -0.15 0.00 1.31 0.00 0.00 55.95 56.15 1jyi s SER 62 Cb -0.17 -0.49 0.03 0.00 0.21 0.00 0.00 66.02 65.60 1jyi s SER 62 CO 0.05 -0.13 0.33 0.00 0.41 0.00 0.00 173.24 173.89 1jyi s ALA 63 N -2.51 -0.82 -0.02 1.44 0.00 0.01 -0.56 121.76 119.30 1jyi s ALA 63 Ca 0.33 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1jyi s ALA 63 Cb -0.02 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.16 1jyi s ALA 63 CO 0.18 -0.26 0.01 0.08 0.00 0.00 0.00 175.76 175.77 1jyi s VAL 64 N -1.23 0.05 -0.02 0.00 1.01 -0.36 -2.26 120.40 117.58 1jyi s VAL 64 Ca -0.13 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1jyi s VAL 64 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 1jyi s VAL 64 CO 0.04 0.10 -0.18 -0.69 0.00 0.00 0.00 175.10 174.37 1jyi s VAL 65 N 0.94 1.45 0.27 2.92 1.01 -0.33 -0.53 120.40 126.13 1jyi s VAL 65 Ca -0.09 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 1jyi s VAL 65 Cb -0.12 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1jyi s VAL 65 CO -0.02 0.41 0.67 -0.94 0.00 0.00 0.00 175.10 175.22 1jyi s SER 66 N -0.37 -0.25 0.04 3.32 1.04 -0.17 -0.10 113.70 117.22 1jyi s SER 66 Ca 0.06 -0.63 0.05 0.00 0.48 0.00 0.00 55.95 55.90 1jyi s SER 66 Cb -0.08 0.70 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 1jyi s SER 66 CO -0.00 -1.30 -0.14 -0.31 0.98 0.00 0.00 173.24 172.47 1jyi s TYR 67 N -3.93 1.23 0.20 5.02 1.51 -1.26 -0.99 117.35 119.14 1jyi s TYR 67 Ca 0.12 -0.37 -0.31 0.00 -1.01 0.00 0.00 57.07 55.50 1jyi s TYR 67 Cb -0.05 -0.73 -0.16 0.00 -0.11 0.00 0.00 41.96 40.92 1jyi s TYR 67 CO 0.06 0.04 1.03 -2.30 -1.11 0.00 0.00 175.55 173.27 1jyi n PRO 68 N 1.80 1.00 -3.90 -1.71 -0.02 -1.26 -2.50 135.00 128.41 1jyi n PRO 68 Ca -0.18 0.35 -0.34 0.00 -2.02 0.00 0.00 63.50 61.31 1jyi n PRO 68 Cb 0.55 -1.75 0.01 0.00 -0.02 0.00 0.00 33.50 32.29 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 1.77 -4.64 -3.64 2.55 4.13 -1.26 -4.94 115.26 109.23 1jyi n ASN 69 Ca 0.14 -1.10 -0.03 0.00 1.68 0.00 0.00 54.58 55.27 1jyi n ASN 69 Cb 0.26 -1.84 -0.00 0.00 -1.54 0.00 0.00 39.78 36.65 1jyi n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jyi s ALA 70 N -3.25 -1.66 0.53 5.41 0.00 -1.04 -5.16 121.76 116.60 1jyi s ALA 70 Ca 0.24 0.03 -0.22 0.00 0.00 0.00 0.00 51.96 52.02 1jyi s ALA 70 Cb -0.13 0.65 -0.05 0.00 0.00 0.00 0.00 23.12 23.59 1jyi s ALA 70 CO 0.93 -1.05 1.28 0.34 0.00 0.00 0.00 175.76 177.26 1jyi s ASP 71 N -3.05 5.49 0.03 0.00 2.15 -1.26 -4.65 116.67 115.38 1jyi s ASP 71 Ca 0.15 2.59 0.06 0.00 0.43 0.00 0.00 52.55 55.78 1jyi s ASP 71 Cb -0.01 -2.62 -0.03 0.00 -0.30 0.00 0.00 42.92 39.95 1jyi s ASP 71 CO 0.03 -1.40 -0.15 -0.94 -0.17 0.00 0.00 175.17 172.53 1jyi s SER 72 N -1.15 4.00 -0.09 -0.34 1.04 -1.26 -4.18 113.70 111.71 1jyi s SER 72 Ca 0.70 -0.36 -0.05 0.00 0.48 0.00 0.00 55.95 56.73 1jyi s SER 72 Cb -0.36 -0.73 -0.04 0.00 0.10 0.00 0.00 66.02 65.00 1jyi s SER 72 CO 0.42 0.26 0.11 0.00 0.98 0.00 0.00 173.24 175.02 1jyi s ALA 73 N -0.94 3.75 -0.02 5.32 0.00 0.86 -4.92 121.76 125.81 1jyi s ALA 73 Ca 0.15 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.43 1jyi s ALA 73 Cb -0.11 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.18 1jyi s ALA 73 CO 0.06 0.63 -0.06 0.99 0.00 0.00 0.00 175.76 177.38 1jyi s THR 74 N -1.04 0.50 -0.09 0.00 2.01 -1.26 -1.19 115.64 114.56 1jyi s THR 74 Ca 0.16 -0.22 -0.08 0.00 0.31 0.00 0.00 61.69 61.87 1jyi s THR 74 Cb -0.12 -0.45 0.03 0.00 0.01 0.00 0.00 72.50 71.97 1jyi s THR 74 CO 0.06 0.16 0.24 0.54 -0.69 0.00 0.00 174.62 174.94 1jyi s VAL 75 N 0.16 -0.01 0.16 3.82 0.11 -0.96 -4.85 120.40 118.84 1jyi s VAL 75 Ca -0.02 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.10 1jyi s VAL 75 Cb -0.06 -0.35 -0.05 0.00 -1.53 0.00 0.00 36.38 34.39 1jyi s VAL 75 CO -0.00 0.01 -0.04 -0.44 -3.33 0.00 0.00 175.10 171.30 1jyi s SER 76 N 0.39 1.49 -0.29 3.54 0.01 -1.26 -0.81 113.70 116.77 1jyi s SER 76 Ca -0.02 -1.11 -0.13 0.00 1.31 0.00 0.00 55.95 56.00 1jyi s SER 76 Cb -0.04 0.06 0.12 0.00 0.21 0.00 0.00 66.02 66.37 1jyi s SER 76 CO -0.02 -0.47 0.75 -0.47 0.41 0.00 0.00 173.24 173.44 1jyi s TYR 77 N -3.51 -1.07 -0.03 2.43 5.04 -0.29 -4.90 117.35 115.01 1jyi s TYR 77 Ca 0.21 1.98 -0.30 0.00 -2.44 0.00 0.00 57.07 56.51 1jyi s TYR 77 Cb 0.05 0.64 -0.04 0.00 0.35 0.00 0.00 41.96 42.96 1jyi s TYR 77 CO 0.02 -0.53 1.34 -0.51 -1.34 0.00 0.00 175.55 174.53 1jyi s ASP 78 N 2.23 6.91 -0.28 4.32 1.01 -1.26 -1.12 116.67 128.48 1jyi s ASP 78 Ca -0.07 1.99 -0.18 0.00 0.71 0.00 0.00 52.55 55.00 1jyi s ASP 78 Cb -0.08 -2.56 0.08 0.00 1.01 0.00 0.00 42.92 41.38 1jyi s ASP 78 CO -0.19 -0.69 0.72 0.54 0.21 0.00 0.00 175.17 175.77 1jyi s VAL 79 N 2.50 0.00 -0.74 -1.27 0.11 0.54 -4.95 120.40 116.59 1jyi s VAL 79 Ca 0.61 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.48 1jyi s VAL 79 Cb -0.29 -1.00 0.14 0.00 -1.53 0.00 0.00 36.38 33.70 1jyi s VAL 79 CO 0.24 0.00 0.85 -0.62 -3.33 0.00 0.00 175.10 172.24 1jyi s ASP 80 N 1.31 6.45 0.62 3.54 -1.08 -1.26 -4.37 116.67 121.87 1jyi s ASP 80 Ca -0.07 -1.89 0.31 0.00 -0.52 0.00 0.00 52.55 50.37 1jyi s ASP 80 Cb -0.05 -2.31 1.70 0.00 -1.46 0.00 0.00 42.92 40.80 1jyi s ASP 80 CO -0.15 -0.98 2.04 -0.07 0.52 0.00 0.00 175.17 176.53 1jyi h LEU 81 N 9.62 0.00 -0.94 -1.34 3.38 -1.98 -1.84 115.31 122.22 1jyi h LEU 81 Ca -0.07 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.99 1jyi h LEU 81 Cb 1.06 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 1jyi h LEU 81 CO 1.02 0.00 0.58 0.44 0.09 0.00 0.00 178.44 180.57 1jyi h ASP 82 N 0.00 0.87 -0.10 -0.43 3.32 -1.90 0.27 116.42 118.45 1jyi h ASP 82 Ca 0.08 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1jyi h ASP 82 Cb 0.62 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1jyi h ASP 82 CO -0.00 0.50 0.00 0.59 -1.72 0.00 0.00 179.24 178.61 1jyi n ASN 83 N -4.63 1.17 0.00 6.45 3.02 -0.69 -4.26 115.26 116.32 1jyi n ASN 83 Ca 0.16 -1.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.12 1jyi n ASN 83 Cb 0.27 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 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 -0.02 0.00 -4.47 2.41 0.31 -0.35 -5.08 118.33 111.13 1jyi n VAL 84 Ca 0.16 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.24 1jyi n VAL 84 Cb 0.26 -0.79 -0.10 0.00 -0.91 0.00 0.00 33.84 32.30 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 -4.42 2.74 0.74 7.52 1.43 -0.06 -4.96 118.68 121.68 1jyi s LEU 85 Ca 0.00 -1.07 -0.11 0.00 -1.03 0.00 0.00 54.13 51.91 1jyi s LEU 85 Cb 0.00 -1.13 0.03 0.00 0.03 0.00 0.00 46.19 45.12 1jyi s LEU 85 CO 0.00 -0.11 1.08 -2.16 0.23 0.00 0.00 176.35 175.40 1jyi s PRO 86 N -3.59 2.59 0.25 1.29 0.04 -1.26 -4.74 135.00 129.58 1jyi s PRO 86 Ca 0.32 0.65 0.25 0.00 0.04 0.00 0.00 61.00 62.26 1jyi s PRO 86 Cb -0.01 -1.98 0.91 0.00 0.04 0.00 0.00 34.50 33.46 1jyi s PRO 86 CO 0.17 -1.27 1.75 1.05 0.04 0.00 0.00 177.00 178.74 1jyi h GLU 87 N -0.83 0.00 -5.22 4.56 4.11 -1.94 -3.41 114.58 111.86 1jyi h GLU 87 Ca -0.46 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.31 1jyi h GLU 87 Cb 1.25 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.20 1jyi h GLU 87 CO 0.60 0.00 -0.80 -1.58 0.07 0.00 0.00 179.01 177.30 1jyi s TRP 88 N -3.23 2.78 0.30 2.06 0.52 -1.26 -0.76 118.94 119.34 1jyi s TRP 88 Ca 0.07 -0.98 0.02 0.00 0.02 0.00 0.00 56.10 55.23 1jyi s TRP 88 Cb 0.10 -1.88 -0.02 0.00 -1.15 0.00 0.00 33.47 30.53 1jyi s TRP 88 CO 0.49 -0.43 0.30 0.14 0.02 0.00 0.00 176.95 177.47 1jyi s VAL 89 N 0.73 0.00 0.04 4.03 -7.23 -0.07 -4.53 120.40 113.37 1jyi s VAL 89 Ca -0.07 -1.88 0.07 0.00 -1.81 0.00 0.00 61.98 58.30 1jyi s VAL 89 Cb -0.16 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 1jyi s VAL 89 CO 0.01 0.00 -0.20 -0.60 -0.31 0.00 0.00 175.10 174.00 1jyi s ARG 90 N -3.53 1.38 0.22 4.82 3.52 -0.09 0.46 118.95 125.74 1jyi s ARG 90 Ca 0.37 -0.93 0.07 0.00 -0.13 0.00 0.00 55.73 55.12 1jyi s ARG 90 Cb 0.03 -1.49 -0.04 0.00 -1.56 0.00 0.00 34.95 31.89 1jyi s ARG 90 CO 0.22 0.38 0.08 0.14 -0.81 0.00 0.00 175.30 175.31 1jyi s VAL 91 N -0.79 3.99 0.00 7.11 -7.23 -1.26 -2.02 120.40 120.19 1jyi s VAL 91 Ca 0.07 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 1jyi s VAL 91 Cb -0.09 -3.09 0.00 0.00 0.56 0.00 0.00 36.38 33.76 1jyi s VAL 91 CO 0.02 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.17 1jyi n GLY 92 N -0.67 -0.90 3.34 2.32 0.00 -0.82 -1.87 105.19 106.59 1jyi n GLY 92 Ca -0.08 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 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 2.22 0.24 0.99 1.43 0.67 -1.37 118.68 122.86 1jyi s LEU 93 Ca 0.00 -0.41 0.08 0.00 -1.03 0.00 0.00 54.13 52.77 1jyi s LEU 93 Cb 0.00 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 1jyi s LEU 93 CO 0.00 0.31 -0.12 -0.55 0.23 0.00 0.00 176.35 176.22 1jyi s SER 94 N -0.54 2.79 -0.06 2.29 0.15 0.56 -0.19 113.70 118.70 1jyi s SER 94 Ca 0.08 -1.08 -0.31 0.00 0.70 0.00 0.00 55.95 55.34 1jyi s SER 94 Cb -0.11 -0.17 0.11 0.00 -1.71 0.00 0.00 66.02 64.14 1jyi s SER 94 CO 0.00 -0.20 0.98 0.00 1.20 0.00 0.00 173.24 175.23 1jyi s ALA 95 N -2.92 -1.89 0.10 5.45 0.00 -0.67 -0.56 121.76 121.27 1jyi s ALA 95 Ca 0.26 1.19 -0.26 0.00 0.00 0.00 0.00 51.96 53.15 1jyi s ALA 95 Cb 0.00 0.25 0.08 0.00 0.00 0.00 0.00 23.12 23.44 1jyi s ALA 95 CO 0.10 -0.65 0.85 -1.54 0.00 0.00 0.00 175.76 174.51 1jyi s SER 96 N -2.37 -0.33 0.16 0.00 1.04 -1.03 -2.14 113.70 109.03 1jyi s SER 96 Ca 0.06 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.33 1jyi s SER 96 Cb -0.01 0.48 -0.05 0.00 0.10 0.00 0.00 66.02 66.55 1jyi s SER 96 CO -0.08 -0.83 -0.02 0.42 0.98 0.00 0.00 173.24 173.71 1jyi s THR 97 N -3.34 0.77 0.00 2.02 -4.23 -0.71 -0.68 115.64 109.47 1jyi s THR 97 Ca 0.07 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 1jyi s THR 97 Cb -0.02 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.80 1jyi s THR 97 CO -0.05 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 1jyi n GLY 98 N -0.21 3.97 0.28 3.99 0.00 -1.26 -1.42 105.19 110.54 1jyi n GLY 98 Ca -0.08 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 1jyi n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jyi h LEU 99 N 0.00 0.90-10.07 0.99 3.38 -1.96 -1.73 115.31 106.82 1jyi h LEU 99 Ca 0.00 -0.31 -0.53 0.00 0.09 0.00 0.00 57.88 57.12 1jyi h LEU 99 Cb 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1jyi h LEU 99 CO 0.00 1.06 -0.33 -0.31 0.09 0.00 0.00 178.44 178.95 1jyi s TYR 100 N -4.71 3.48 0.22 1.13 2.02 -1.26 -4.87 117.35 113.36 1jyi s TYR 100 Ca -0.10 0.34 0.03 0.00 -0.37 0.00 0.00 57.07 56.96 1jyi s TYR 100 Cb 0.13 -1.85 -0.05 0.00 -0.40 0.00 0.00 41.96 39.79 1jyi s TYR 100 CO 0.85 0.37 0.00 -1.59 -1.57 0.00 0.00 175.55 173.61 1jyi s LYS 101 N -3.37 1.30 0.31 -0.62 -2.85 -1.25 -4.45 119.74 108.82 1jyi s LYS 101 Ca 0.38 -1.65 -0.19 0.00 -1.00 0.00 0.00 55.97 53.51 1jyi s LYS 101 Cb -0.11 -0.54 0.03 0.00 -2.06 0.00 0.00 37.83 35.15 1jyi s LYS 101 CO 0.29 -0.11 0.73 -1.83 0.10 0.00 0.00 175.35 174.54 1jyi s GLU 102 N -3.88 1.91 0.07 1.78 -1.05 -1.18 -3.86 118.70 112.50 1jyi s GLU 102 Ca 0.28 -1.12 -0.09 0.00 -0.15 0.00 0.00 54.97 53.89 1jyi s GLU 102 Cb 0.06 0.61 -0.06 0.00 -0.44 0.00 0.00 34.13 34.30 1jyi s GLU 102 CO 0.08 -0.88 0.38 0.95 0.95 0.00 0.00 175.26 176.74 1jyi s THR 103 N -3.46 5.13 -0.51 1.83 -4.23 -0.20 -4.61 115.64 109.58 1jyi s THR 103 Ca 0.13 0.37 0.07 0.00 -1.18 0.00 0.00 61.69 61.08 1jyi s THR 103 Cb -0.06 -3.63 0.35 0.00 1.34 0.00 0.00 72.50 70.50 1jyi s THR 103 CO 0.08 0.28 0.89 0.59 -0.54 0.00 0.00 174.62 175.92 1jyi n ASN 104 N 0.86 3.43 -4.72 3.99 5.03 -1.26 -4.00 115.26 118.58 1jyi n ASN 104 Ca -0.08 -3.49 -0.40 0.00 0.87 0.00 0.00 54.58 51.48 1jyi n ASN 104 Cb 0.52 -0.57 -0.04 0.00 -1.02 0.00 0.00 39.78 38.67 1jyi n ASN 104 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1jyi s THR 105 N -3.90 4.90 -0.23 3.41 2.01 -1.18 -2.45 115.64 118.19 1jyi s THR 105 Ca 0.46 1.68 -0.04 0.00 0.31 0.00 0.00 61.69 64.10 1jyi s THR 105 Cb 0.30 -4.15 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1jyi s THR 105 CO -0.12 0.26 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.41 1jyi s ILE 106 N 0.61 3.47 -0.26 1.82 -1.09 0.52 -1.18 121.20 125.10 1jyi s ILE 106 Ca 0.42 -0.49 0.23 0.00 -2.23 0.00 0.00 60.65 58.57 1jyi s ILE 106 Cb -0.20 -2.61 -0.08 0.00 -1.58 0.00 0.00 42.46 38.00 1jyi s ILE 106 CO 0.22 0.39 0.95 0.18 -1.23 0.00 0.00 174.94 175.45 1jyi n LEU 107 N 4.81 0.65 -3.55 2.97 4.32 0.28 -1.47 117.00 125.01 1jyi n LEU 107 Ca -0.18 0.22 -0.09 0.00 -0.02 0.00 0.00 56.01 55.94 1jyi n LEU 107 Cb 0.51 -0.06 -0.04 0.00 -1.62 0.00 0.00 43.42 42.21 1jyi n LEU 107 CO 0.29 -0.12 0.76 -0.94 -1.22 0.00 0.00 177.39 176.16 1jyi s SER 108 N -4.98 -0.35 -0.25 -1.43 1.04 -1.24 -4.57 113.70 101.92 1jyi s SER 108 Ca -0.01 0.20 -0.19 0.00 0.48 0.00 0.00 55.95 56.43 1jyi s SER 108 Cb 0.11 0.32 0.07 0.00 0.10 0.00 0.00 66.02 66.62 1jyi s SER 108 CO 0.81 -0.45 0.64 0.86 0.98 0.00 0.00 173.24 176.08 1jyi s TRP 109 N -2.07 -0.83 0.01 5.02 -0.00 -0.57 -1.58 118.94 118.91 1jyi s TRP 109 Ca 0.02 1.84 -0.03 0.00 -0.00 0.00 0.00 56.10 57.93 1jyi s TRP 109 Cb -0.01 0.39 -0.01 0.00 -0.00 0.00 0.00 33.47 33.85 1jyi s TRP 109 CO -0.03 -0.41 0.05 -1.54 -0.00 0.00 0.00 176.95 175.01 1jyi s SER 110 N 0.93 0.10 0.02 5.86 1.04 0.16 -0.20 113.70 121.61 1jyi s SER 110 Ca -0.05 -0.27 -0.01 0.00 0.48 0.00 0.00 55.95 56.10 1jyi s SER 110 Cb -0.05 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 1jyi s SER 110 CO -0.08 -0.28 -0.00 0.12 0.98 0.00 0.00 173.24 173.98 1jyi s PHE 111 N -1.16 0.22 -0.11 5.02 5.36 -0.04 -0.73 117.98 126.54 1jyi s PHE 111 Ca -0.13 -0.45 -0.04 0.00 -0.96 0.00 0.00 56.93 55.35 1jyi s PHE 111 Cb -0.07 -0.16 0.06 0.00 -0.34 0.00 0.00 43.02 42.50 1jyi s PHE 111 CO 0.00 -0.20 0.23 0.99 -1.46 0.00 0.00 175.22 174.78 1jyi s THR 112 N -1.41 -0.31 -0.01 0.12 2.01 -0.75 -1.81 115.64 113.48 1jyi s THR 112 Ca -0.15 0.27 0.08 0.00 0.31 0.00 0.00 61.69 62.20 1jyi s THR 112 Cb -0.09 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 1jyi s THR 112 CO -0.01 0.11 -0.26 -0.55 -0.69 0.00 0.00 174.62 173.23 1jyi s SER 113 N 2.15 3.12 0.00 3.53 0.15 -0.01 -1.83 113.70 120.81 1jyi s SER 113 Ca -0.01 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1jyi s SER 113 Cb -0.12 -0.35 -0.00 0.00 -1.71 0.00 0.00 66.02 63.84 1jyi s SER 113 CO -0.08 0.31 -0.00 -0.54 1.20 0.00 0.00 173.24 174.13 1jyi s LYS 114 N -0.76 0.01 -0.21 5.44 1.02 -0.45 -0.97 119.74 123.83 1jyi s LYS 114 Ca 0.10 -0.02 -0.02 0.00 0.02 0.00 0.00 55.97 56.06 1jyi s LYS 114 Cb -0.10 0.00 0.06 0.00 -0.52 0.00 0.00 37.83 37.27 1jyi s LYS 114 CO -0.00 -0.00 0.01 -0.51 -0.92 0.00 0.00 175.35 173.93 1jyi s LEU 115 N -0.04 1.58 -0.96 3.17 1.43 0.49 -2.09 118.68 122.26 1jyi s LEU 115 Ca -0.00 -0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 52.04 1jyi s LEU 115 Cb -0.00 -0.76 0.24 0.00 0.03 0.00 0.00 46.19 45.70 1jyi s LEU 115 CO -0.00 -0.29 0.94 -0.75 0.23 0.00 0.00 176.35 176.48 1jyi s LYS 116 N 1.73 3.86 0.46 1.70 2.47 0.34 -0.83 119.74 129.47 1jyi s LYS 116 Ca -0.02 -2.74 -0.23 0.00 -1.56 0.00 0.00 55.97 51.42 1jyi s LYS 116 Cb -0.18 -4.52 -0.07 0.00 -1.46 0.00 0.00 37.83 31.60 1jyi s LYS 116 CO -0.08 -1.31 1.18 -1.12 0.16 0.00 0.00 175.35 174.19 1jyi s SER 117 N 1.91 6.15 -0.76 1.43 0.01 -1.21 -0.83 113.70 120.40 1jyi s SER 117 Ca 0.24 2.36 -0.17 0.00 1.31 0.00 0.00 55.95 59.69 1jyi s SER 117 Cb -0.10 -2.61 -0.19 0.00 0.21 0.00 0.00 66.02 63.34 1jyi s SER 117 CO -0.08 -0.93 2.01 -3.20 0.41 0.00 0.00 173.24 171.44 1jyi n ASN 118 N -0.44 0.14 -3.61 2.44 2.85 -0.47 -4.72 115.26 111.46 1jyi n ASN 118 Ca 0.07 -1.48 -0.08 0.00 -0.11 0.00 0.00 54.58 52.98 1jyi n ASN 118 Cb 0.47 -1.20 -0.06 0.00 1.24 0.00 0.00 39.78 40.24 1jyi n ASN 118 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1jyi s SER 119 N 5.53 -0.30 -0.26 1.20 0.01 -1.26 -5.05 113.70 113.56 1jyi s SER 119 Ca 0.82 0.41 -0.27 0.00 1.31 0.00 0.00 55.95 58.22 1jyi s SER 119 Cb -0.27 0.36 0.01 0.00 0.21 0.00 0.00 66.02 66.33 1jyi s SER 119 CO 0.21 -0.22 0.97 -0.89 0.41 0.00 0.00 173.24 173.73 1jyi s THR 120 N -0.69 4.70 -0.40 1.44 2.01 -1.26 -3.42 115.64 118.01 1jyi s THR 120 Ca 0.02 1.78 0.00 0.00 0.31 0.00 0.00 61.69 63.80 1jyi s THR 120 Cb -0.02 -4.27 0.00 0.00 0.01 0.00 0.00 72.50 68.22 1jyi s THR 120 CO -0.03 -0.22 0.00 1.41 -0.69 0.00 0.00 174.62 175.09 1jyi n HIS 121 N 6.34 -0.01 -3.98 4.92 8.25 -1.26 -5.03 115.22 124.45 1jyi n HIS 121 Ca 0.10 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.22 1jyi n HIS 121 Cb 0.47 -1.06 -0.14 0.00 1.12 0.00 0.00 29.99 30.38 1jyi n HIS 121 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1jyi s GLU 122 N -2.38 2.24 -0.09 -0.41 0.41 -1.22 -5.08 118.70 112.16 1jyi s GLU 122 Ca 0.00 -1.39 -0.05 0.00 -0.41 0.00 0.00 54.97 53.11 1jyi s GLU 122 Cb 0.00 -3.08 0.04 0.00 -1.78 0.00 0.00 34.13 29.31 1jyi s GLU 122 CO 0.00 -0.66 0.22 0.99 -0.49 0.00 0.00 175.26 175.33 1jyi s THR 123 N 1.15 -0.03 -0.10 3.63 2.01 -1.26 -3.30 115.64 117.74 1jyi s THR 123 Ca -0.05 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.03 1jyi s THR 123 Cb -0.20 -0.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 1jyi s THR 123 CO -0.04 0.05 0.06 0.20 -0.69 0.00 0.00 174.62 174.20 1jyi s ASN 124 N 0.97 5.71 0.01 3.53 0.01 -0.01 -4.95 114.94 120.22 1jyi s ASN 124 Ca -0.07 0.28 -0.07 0.00 -0.71 0.00 0.00 52.86 52.28 1jyi s ASN 124 Cb -0.08 -1.72 -0.00 0.00 0.41 0.00 0.00 41.25 39.86 1jyi s ASN 124 CO -0.06 0.39 0.14 0.00 -1.51 0.00 0.00 177.10 176.06 1jyi s ALA 125 N -0.95 -0.29 -0.03 0.60 0.00 -1.26 -0.38 121.76 119.44 1jyi s ALA 125 Ca 0.14 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.91 1jyi s ALA 125 Cb -0.12 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1jyi s ALA 125 CO 0.03 -0.24 -0.11 -1.17 0.00 0.00 0.00 175.76 174.27 1jyi s LEU 126 N -1.58 1.77 -0.08 0.00 2.96 -0.14 -4.99 118.68 116.62 1jyi s LEU 126 Ca -0.12 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.52 1jyi s LEU 126 Cb -0.06 -0.65 0.04 0.00 0.50 0.00 0.00 46.19 46.02 1jyi s LEU 126 CO 0.00 0.07 0.17 -2.28 -1.32 0.00 0.00 176.35 173.00 1jyi s HIS 127 N 0.25 -0.21 0.01 5.38 5.65 -1.26 -0.83 115.29 124.28 1jyi s HIS 127 Ca -0.05 0.56 0.00 0.00 0.25 0.00 0.00 55.06 55.82 1jyi s HIS 127 Cb -0.10 -0.04 -0.01 0.00 -1.18 0.00 0.00 32.58 31.25 1jyi s HIS 127 CO 0.01 -0.18 -0.03 -0.59 -0.65 0.00 0.00 174.74 173.31 1jyi s PHE 128 N 1.10 0.24 -0.07 3.88 -0.12 -0.75 -5.01 117.98 117.25 1jyi s PHE 128 Ca -0.08 -0.32 -0.03 0.00 -0.05 0.00 0.00 56.93 56.44 1jyi s PHE 128 Cb -0.10 -0.16 0.04 0.00 -0.63 0.00 0.00 43.02 42.17 1jyi s PHE 128 CO -0.06 -0.10 0.14 1.41 -0.05 0.00 0.00 175.22 176.56 1jyi s MET 129 N -0.91 0.04 -0.19 1.99 1.75 -1.26 -0.86 119.30 119.86 1jyi s MET 129 Ca -0.09 0.46 -0.00 0.00 -1.25 0.00 0.00 55.69 54.81 1jyi s MET 129 Cb -0.06 -0.25 0.01 0.00 2.84 0.00 0.00 34.83 37.37 1jyi s MET 129 CO -0.00 -0.25 -0.15 -0.06 -0.65 0.00 0.00 175.02 173.90 1jyi s PHE 130 N 1.82 2.83 -0.15 4.11 0.08 0.72 -4.94 117.98 122.46 1jyi s PHE 130 Ca -0.02 -1.45 0.05 0.00 0.12 0.00 0.00 56.93 55.63 1jyi s PHE 130 Cb -0.12 -1.97 -0.06 0.00 -0.57 0.00 0.00 43.02 40.30 1jyi s PHE 130 CO -0.05 -0.74 0.17 0.09 -0.10 0.00 0.00 175.22 174.59 1jyi n ASN 131 N 4.67 1.49 -3.72 1.36 3.02 -1.26 -1.51 115.26 119.30 1jyi n ASN 131 Ca -0.20 -0.40 -0.12 0.00 -0.03 0.00 0.00 54.58 53.83 1jyi n ASN 131 Cb 0.50 1.08 -0.13 0.00 -0.61 0.00 0.00 39.78 40.62 1jyi n ASN 131 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1jyi s GLN 132 N -1.77 0.23 -0.17 3.52 -0.44 -1.26 -4.77 119.66 115.01 1jyi s GLN 132 Ca 0.01 0.57 -0.07 0.00 -2.50 0.00 0.00 55.36 53.36 1jyi s GLN 132 Cb 0.03 -0.11 -0.04 0.00 -1.64 0.00 0.00 33.01 31.26 1jyi s GLN 132 CO 0.20 -0.16 0.08 -0.06 0.50 0.00 0.00 175.29 175.85 1jyi s PHE 133 N 1.28 3.31 0.70 1.67 0.08 -0.64 -5.00 117.98 119.38 1jyi s PHE 133 Ca -0.09 0.18 -0.07 0.00 0.12 0.00 0.00 56.93 57.07 1jyi s PHE 133 Cb -0.10 -2.05 0.06 0.00 -0.57 0.00 0.00 43.02 40.36 1jyi s PHE 133 CO -0.09 0.28 1.02 -1.12 -0.10 0.00 0.00 175.22 175.21 1jyi s SER 134 N 0.08 4.87 -0.06 1.36 0.01 -1.26 -3.83 113.70 114.87 1jyi s SER 134 Ca 0.06 0.52 -0.26 0.00 1.31 0.00 0.00 55.95 57.58 1jyi s SER 134 Cb -0.12 -1.19 -0.23 0.00 0.21 0.00 0.00 66.02 64.69 1jyi s SER 134 CO 0.00 -1.57 1.03 0.50 0.41 0.00 0.00 173.24 173.62 1jyi h LYS 135 N -0.60 0.10 -3.57 12.44 3.64 -1.88 -2.98 116.57 123.73 1jyi h LYS 135 Ca -0.45 -0.10 -0.80 0.00 -1.27 0.00 0.00 60.65 58.03 1jyi h LYS 135 Cb 1.31 0.03 -0.28 0.00 -0.41 0.00 0.00 32.23 32.88 1jyi h LYS 135 CO 0.61 0.84 0.52 -3.47 -2.27 0.00 0.00 179.45 175.68 1jyi n ASP 136 N -4.61 5.58 -4.46 4.20 2.03 -1.26 -4.70 116.55 113.33 1jyi n ASP 136 Ca -0.09 -3.06 -0.44 0.00 0.52 0.00 0.00 54.79 51.72 1jyi n ASP 136 Cb 0.44 -1.38 -0.02 0.00 -0.72 0.00 0.00 41.12 39.44 1jyi n ASP 136 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1jyi s GLN 137 N -1.28 3.71 0.12 -0.67 2.00 -1.26 -4.89 119.66 117.40 1jyi s GLN 137 Ca 0.32 -1.89 0.16 0.00 -2.00 0.00 0.00 55.36 51.94 1jyi s GLN 137 Cb -0.09 -5.00 0.69 0.00 0.80 0.00 0.00 33.01 29.42 1jyi s GLN 137 CO -0.06 -1.82 1.49 1.63 -0.50 0.00 0.00 175.29 176.03 1jyi n LYS 138 N 6.58 0.08 -0.21 1.67 5.02 -1.26 -2.68 118.16 127.36 1jyi n LYS 138 Ca 0.28 0.39 0.11 0.00 -2.02 0.00 0.00 58.31 57.07 1jyi n LYS 138 Cb 0.48 -1.67 0.26 0.00 -0.02 0.00 0.00 35.03 34.08 1jyi n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1jyi n ASP 139 N -1.81 3.15 -4.39 4.39 5.68 -1.26 -4.91 116.55 117.40 1jyi n ASP 139 Ca 0.02 -1.95 -0.30 0.00 -0.50 0.00 0.00 54.79 52.06 1jyi n ASP 139 Cb 0.15 -0.28 -0.13 0.00 -1.14 0.00 0.00 41.12 39.71 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 -1.35 2.34 -0.32 -2.12 1.43 -1.09 -0.56 118.68 117.01 1jyi s LEU 140 Ca 0.39 -0.66 -0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1jyi s LEU 140 Cb 0.22 -1.30 0.03 0.00 0.03 0.00 0.00 46.19 45.17 1jyi s LEU 140 CO 0.30 0.21 0.09 -0.63 0.23 0.00 0.00 176.35 176.55 1jyi s ILE 141 N -0.98 3.80 -0.18 -0.59 1.01 0.11 -4.83 121.20 119.54 1jyi s ILE 141 Ca 0.14 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 1jyi s ILE 141 Cb -0.10 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 1jyi s ILE 141 CO 0.05 -0.07 0.19 -0.76 0.00 0.00 0.00 174.94 174.35 1jyi s LEU 142 N 1.43 4.23 0.26 2.97 1.43 -1.26 -1.13 118.68 126.61 1jyi s LEU 142 Ca -0.00 0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.52 1jyi s LEU 142 Cb -0.19 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 1jyi s LEU 142 CO 0.02 0.17 -0.10 -1.10 0.23 0.00 0.00 176.35 175.57 1jyi s GLN 143 N 0.31 1.49 5.10 1.70 -0.21 -1.06 -4.98 119.66 122.02 1jyi s GLN 143 Ca 0.11 -1.72 0.00 0.00 0.02 0.00 0.00 55.36 53.77 1jyi s GLN 143 Cb -0.12 -1.21 0.00 0.00 1.00 0.00 0.00 33.01 32.69 1jyi s GLN 143 CO 0.00 0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.70 1jyi n GLY 144 N -0.52 2.58 0.51 3.09 0.00 -1.26 -2.53 105.19 107.06 1jyi n GLY 144 Ca -0.06 -0.39 0.04 0.00 0.00 0.00 0.00 46.02 45.62 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 0.16 1.48 -4.74 1.61 8.00 0.30 -4.94 116.55 118.42 1jyi n ASP 145 Ca 0.00 -2.01 -0.42 0.00 0.71 0.00 0.00 54.79 53.08 1jyi n ASP 145 Cb 0.00 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 40.89 1jyi n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jyi n ALA 146 N 0.29 2.76 -3.01 2.24 0.00 -1.05 -4.48 120.51 117.27 1jyi n ALA 146 Ca 0.09 0.38 -0.10 0.00 0.00 0.00 0.00 53.44 53.82 1jyi n ALA 146 Cb 0.24 -2.50 -0.11 0.00 0.00 0.00 0.00 19.45 17.08 1jyi n ALA 146 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jyi s THR 147 N 0.55 0.10 0.38 0.00 -4.23 -0.91 -4.76 115.64 106.77 1jyi s THR 147 Ca 0.69 -0.81 0.05 0.00 -1.18 0.00 0.00 61.69 60.44 1jyi s THR 147 Cb -0.49 -0.30 -0.06 0.00 1.34 0.00 0.00 72.50 72.99 1jyi s THR 147 CO 0.41 -0.45 0.04 0.42 -0.54 0.00 0.00 174.62 174.50 1jyi s THR 148 N -1.38 1.47 0.00 3.99 -4.23 -1.26 -0.59 115.64 113.64 1jyi s THR 148 Ca -0.15 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 1jyi s THR 148 Cb -0.09 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1jyi s THR 148 CO -0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1jyi n GLY 149 N -0.86 2.78 3.56 3.99 0.00 -1.13 -4.59 105.19 108.94 1jyi n GLY 149 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1jyi n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jyi s THR 150 N -2.49 3.72 -0.09 2.61 2.01 -1.25 -3.27 115.64 116.88 1jyi s THR 150 Ca 0.00 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.49 1jyi s THR 150 Cb 0.00 -4.64 0.00 0.00 0.01 0.00 0.00 72.50 67.87 1jyi s THR 150 CO 0.00 -1.55 0.00 0.47 -0.69 0.00 0.00 174.62 172.85 1jyi n ASP 151 N 10.84 -3.77 -0.64 3.53 9.92 -1.26 -2.65 116.55 132.51 1jyi n ASP 151 Ca 0.33 0.02 -0.04 0.00 -0.53 0.00 0.00 54.79 54.57 1jyi n ASP 151 Cb 0.49 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 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 -2.00 0.38 3.28 0.44 0.00 -1.20 -4.92 105.19 101.17 1jyi n GLY 152 Ca -0.01 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.91 2.26 -0.23 1.61 0.01 -1.09 -1.62 114.94 112.97 1jyi s ASN 153 Ca 0.04 -0.85 -0.15 0.00 -0.71 0.00 0.00 52.86 51.18 1jyi s ASN 153 Cb -0.02 -0.10 -0.04 0.00 0.41 0.00 0.00 41.25 41.51 1jyi s ASN 153 CO 0.04 -0.12 0.39 -0.22 -1.51 0.00 0.00 177.10 175.68 1jyi s LEU 154 N -2.63 4.10 -0.76 0.60 2.96 -0.54 -3.50 118.68 118.91 1jyi s LEU 154 Ca 0.13 0.41 -0.07 0.00 -0.22 0.00 0.00 54.13 54.38 1jyi s LEU 154 Cb -0.04 -2.47 0.20 0.00 0.50 0.00 0.00 46.19 44.37 1jyi s LEU 154 CO 0.04 -0.13 0.64 -1.61 -1.32 0.00 0.00 176.35 173.97 1jyi s GLU 155 N 1.66 3.11 0.23 1.98 0.41 0.24 -0.36 118.70 125.98 1jyi s GLU 155 Ca 0.17 -2.66 -0.07 0.00 -0.41 0.00 0.00 54.97 52.01 1jyi s GLU 155 Cb -0.15 -4.05 0.40 0.00 -1.78 0.00 0.00 34.13 28.55 1jyi s GLU 155 CO 0.09 -1.23 1.69 -0.07 -0.49 0.00 0.00 175.26 175.24 1jyi h LEU 156 N 7.12 -0.02-10.04 1.80 3.38 -1.75 -2.42 115.31 113.38 1jyi h LEU 156 Ca 0.06 0.14 -0.54 0.00 0.09 0.00 0.00 57.88 57.63 1jyi h LEU 156 Cb 0.96 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 1jyi h LEU 156 CO 0.76 -0.03 -0.43 0.42 0.09 0.00 0.00 178.44 179.24 1jyi s THR 157 N -6.07 2.37 0.47 0.22 -4.23 -1.26 -2.61 115.64 104.52 1jyi s THR 157 Ca -0.13 -1.55 -0.24 0.00 -1.18 0.00 0.00 61.69 58.59 1jyi s THR 157 Cb 0.20 -2.92 -0.07 0.00 1.34 0.00 0.00 72.50 71.05 1jyi s THR 157 CO 0.75 0.00 1.35 -0.13 -0.54 0.00 0.00 174.62 176.05 1jyi s ARG 158 N -4.02 3.61 -0.09 3.99 1.81 -1.26 -4.82 118.95 118.17 1jyi s ARG 158 Ca 0.43 2.23 -0.04 0.00 -1.72 0.00 0.00 55.73 56.62 1jyi s ARG 158 Cb 0.01 -2.54 0.04 0.00 -0.45 0.00 0.00 34.95 32.01 1jyi s ARG 158 CO 0.24 -0.81 0.20 0.08 -0.68 0.00 0.00 175.30 174.33 1jyi s VAL 159 N -1.28 -0.04 1.29 3.52 1.01 -1.26 -2.31 120.40 121.32 1jyi s VAL 159 Ca 0.63 0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.59 1jyi s VAL 159 Cb -0.40 -0.31 0.33 0.00 0.00 0.00 0.00 36.38 36.00 1jyi s VAL 159 CO 0.50 0.06 0.98 -0.94 0.00 0.00 0.00 175.10 175.70 1jyi s SER 160 N 1.13 0.00 0.19 3.32 1.04 0.20 -4.85 113.70 114.73 1jyi s SER 160 Ca -0.08 1.23 -0.09 0.00 0.48 0.00 0.00 55.95 57.48 1jyi s SER 160 Cb -0.10 -1.86 0.09 0.00 0.10 0.00 0.00 66.02 64.25 1jyi s SER 160 CO -0.07 -4.76 1.68 0.28 0.98 0.00 0.00 173.24 171.35 1jyi h SER 161 N -3.01 1.06 0.02 7.02 0.02 -2.01 -2.06 113.55 114.60 1jyi h SER 161 Ca -0.55 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 1jyi h SER 161 Cb 1.34 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1jyi h SER 161 CO 0.42 1.06 0.00 -0.46 -1.14 0.00 0.00 176.83 176.71 1jyi n ASN 162 N -4.22 0.00 0.00 3.07 0.23 -1.26 -4.90 115.26 108.18 1jyi n ASN 162 Ca 0.04 -0.83 0.00 0.00 -0.53 0.00 0.00 54.58 53.26 1jyi n ASN 162 Cb 0.30 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 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 0.76 0.56 3.80 4.83 0.00 -0.78 -5.08 105.19 109.29 1jyi n GLY 163 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.65 7.19 1.14 1.61 1.04 -1.26 -4.68 113.70 116.08 1jyi s SER 164 Ca 0.00 1.51 -0.13 0.00 0.48 0.00 0.00 55.95 57.80 1jyi s SER 164 Cb 0.00 -2.45 0.26 0.00 0.10 0.00 0.00 66.02 63.93 1jyi s SER 164 CO 0.00 0.11 1.04 -2.16 0.98 0.00 0.00 173.24 173.22 1jyi s PRO 165 N -1.61 -0.69 0.05 4.02 0.04 -1.26 0.59 135.00 136.13 1jyi s PRO 165 Ca 0.39 0.63 0.04 0.00 0.04 0.00 0.00 61.00 62.10 1jyi s PRO 165 Cb -0.19 -1.60 -0.02 0.00 0.04 0.00 0.00 34.50 32.73 1jyi s PRO 165 CO 0.23 -3.52 -0.13 -0.65 0.04 0.00 0.00 177.00 172.97 1jyi s GLN 166 N -4.69 0.82 0.76 4.56 -1.52 -0.98 -4.63 119.66 113.99 1jyi s GLN 166 Ca 0.68 -0.78 -0.07 0.00 -1.95 0.00 0.00 55.36 53.24 1jyi s GLN 166 Cb -0.22 -0.79 0.11 0.00 -0.22 0.00 0.00 33.01 31.89 1jyi s GLN 166 CO 0.62 0.19 1.07 0.20 -0.25 0.00 0.00 175.29 177.11 1jyi s GLY 167 N -1.30 1.73 -1.28 3.09 0.00 -1.26 -4.44 107.32 103.85 1jyi s GLY 167 Ca -0.01 -1.21 -0.09 0.00 0.00 0.00 0.00 44.72 43.41 1jyi s GLY 167 CO 0.01 -0.69 0.61 1.44 0.00 0.00 0.00 173.10 174.47 1jyi n SER 168 N -3.06 -2.50 -4.27 1.64 7.64 -0.65 -4.87 113.62 107.54 1jyi n SER 168 Ca 0.11 -1.00 -0.20 0.00 1.01 0.00 0.00 58.87 58.80 1jyi n SER 168 Cb 0.60 -3.27 -0.11 0.00 -1.01 0.00 0.00 64.21 60.42 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 -3.99 2.22 -0.10 6.43 0.15 -1.17 -4.98 113.70 112.26 1jyi s SER 169 Ca 0.20 -0.79 -0.14 0.00 0.70 0.00 0.00 55.95 55.92 1jyi s SER 169 Cb -0.07 -0.10 0.03 0.00 -1.71 0.00 0.00 66.02 64.17 1jyi s SER 169 CO 0.87 -0.08 0.37 -0.69 1.20 0.00 0.00 173.24 174.90 1jyi s VAL 170 N -1.93 0.02 -0.27 4.45 1.01 -1.26 -1.74 120.40 120.68 1jyi s VAL 170 Ca 0.10 -0.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.69 1jyi s VAL 170 Cb -0.06 -0.56 0.12 0.00 0.00 0.00 0.00 36.38 35.87 1jyi s VAL 170 CO 0.04 -0.07 0.99 -0.83 0.00 0.00 0.00 175.10 175.23 1jyi s GLY 171 N -0.26 -0.21 0.39 4.51 0.00 -0.91 -0.54 107.32 110.29 1jyi s GLY 171 Ca -0.04 2.52 0.04 0.00 0.00 0.00 0.00 44.72 47.24 1jyi s GLY 171 CO 0.02 1.74 0.05 0.50 0.00 0.00 0.00 173.10 175.40 1jyi s ARG 172 N 0.10 1.85 -0.25 2.90 0.52 -1.13 -1.66 118.95 121.29 1jyi s ARG 172 Ca 0.02 -2.07 -0.04 0.00 -0.52 0.00 0.00 55.73 53.12 1jyi s ARG 172 Cb -0.04 -1.11 0.13 0.00 0.52 0.00 0.00 34.95 34.45 1jyi s ARG 172 CO -0.04 -0.22 0.45 0.00 0.02 0.00 0.00 175.30 175.50 1jyi s ALA 173 N -3.08 -1.41 0.01 2.13 0.00 0.73 -2.55 121.76 117.60 1jyi s ALA 173 Ca 0.30 1.36 0.05 0.00 0.00 0.00 0.00 51.96 53.67 1jyi s ALA 173 Cb 0.07 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 1jyi s ALA 173 CO 0.14 -1.11 -0.14 -0.51 0.00 0.00 0.00 175.76 174.15 1jyi s LEU 174 N 2.65 2.82 0.22 0.00 1.02 -0.28 -0.24 118.68 124.87 1jyi s LEU 174 Ca 0.09 -0.29 -0.30 0.00 0.02 0.00 0.00 54.13 53.65 1jyi s LEU 174 Cb -0.14 -1.63 -0.09 0.00 0.02 0.00 0.00 46.19 44.35 1jyi s LEU 174 CO -0.16 0.28 1.24 0.12 0.02 0.00 0.00 176.35 177.85 1jyi s PHE 175 N -0.91 3.34 0.00 0.29 5.36 -0.78 0.07 117.98 125.34 1jyi s PHE 175 Ca 0.15 1.39 0.00 0.00 -0.96 0.00 0.00 56.93 57.51 1jyi s PHE 175 Cb -0.11 -3.51 0.00 0.00 -0.34 0.00 0.00 43.02 39.07 1jyi s PHE 175 CO 0.05 -1.44 0.92 0.98 -1.46 0.00 0.00 175.22 174.27 1jyi n TYR 176 N 2.12 0.00 -1.87 10.12 9.36 0.28 -4.70 117.16 132.46 1jyi n TYR 176 Ca 0.04 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.84 1jyi n TYR 176 Cb 0.44 -0.42 -0.01 0.00 -0.63 0.00 0.00 39.34 38.72 1jyi n TYR 176 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1jyi s ALA 177 N -3.56 3.62 0.94 2.98 0.00 -1.26 -5.00 121.76 119.47 1jyi s ALA 177 Ca 0.00 1.49 -0.11 0.00 0.00 0.00 0.00 51.96 53.34 1jyi s ALA 177 Cb 0.00 -3.59 0.16 0.00 0.00 0.00 0.00 23.12 19.68 1jyi s ALA 177 CO 0.00 -0.93 1.11 -2.14 0.00 0.00 0.00 175.76 173.80 1jyi s PRO 178 N -1.36 0.87 -0.06 0.00 0.02 -1.26 -4.86 135.00 128.35 1jyi s PRO 178 Ca 0.56 1.29 0.02 0.00 0.02 0.00 0.00 61.00 62.89 1jyi s PRO 178 Cb -0.45 -1.73 0.01 0.00 0.02 0.00 0.00 34.50 32.35 1jyi s PRO 178 CO 0.54 -2.65 -0.11 0.08 -0.33 0.00 0.00 177.00 174.54 1jyi s VAL 179 N -2.68 1.03 -0.68 3.83 1.01 0.17 -4.95 120.40 118.13 1jyi s VAL 179 Ca 0.66 -0.42 -0.25 0.00 0.00 0.00 0.00 61.98 61.97 1jyi s VAL 179 Cb -0.22 -0.96 0.05 0.00 0.00 0.00 0.00 36.38 35.25 1jyi s VAL 179 CO 0.59 0.33 1.13 -2.28 0.00 0.00 0.00 175.10 174.87 1jyi s HIS 180 N 0.70 2.49 -0.39 5.22 2.46 -1.26 -0.89 115.29 123.62 1jyi s HIS 180 Ca -0.14 -0.19 0.23 0.00 0.47 0.00 0.00 55.06 55.42 1jyi s HIS 180 Cb -0.16 -4.45 0.26 0.00 -0.13 0.00 0.00 32.58 28.10 1jyi s HIS 180 CO 0.03 -1.82 1.47 0.97 -2.47 0.00 0.00 174.74 172.92 1jyi h ILE 181 N 6.02 0.00 -2.49 0.89 6.09 -1.24 -3.47 117.51 123.31 1jyi h ILE 181 Ca -0.28 -1.00 0.15 0.00 -1.37 0.00 0.00 64.86 62.37 1jyi h ILE 181 Cb 1.06 1.87 -0.06 0.00 0.47 0.00 0.00 36.82 40.16 1jyi h ILE 181 CO 1.22 0.00 0.46 -1.66 -3.07 0.00 0.00 178.15 175.10 1jyi s TRP 182 N -3.25 -0.08 -0.20 2.19 1.48 -1.25 -4.87 118.94 112.97 1jyi s TRP 182 Ca 0.05 -0.29 -0.28 0.00 -1.06 0.00 0.00 56.10 54.53 1jyi s TRP 182 Cb 0.06 0.67 0.11 0.00 -1.16 0.00 0.00 33.47 33.15 1jyi s TRP 182 CO 0.70 -0.94 0.92 -2.00 -4.06 0.00 0.00 176.95 171.57 1jyi s GLU 183 N -3.08 0.68 0.33 3.25 2.12 -1.26 -4.77 118.70 115.97 1jyi s GLU 183 Ca 0.14 0.43 0.07 0.00 0.36 0.00 0.00 54.97 55.97 1jyi s GLU 183 Cb -0.02 0.32 0.76 0.00 0.26 0.00 0.00 34.13 35.46 1jyi s GLU 183 CO 0.04 -0.16 1.85 0.77 -0.54 0.00 0.00 175.26 177.22 1jyi h SER 184 N 3.50 0.72 -0.92 -1.70 0.02 -2.02 -2.54 113.55 110.61 1jyi h SER 184 Ca -0.25 0.05 -0.48 0.00 -0.84 0.00 0.00 61.79 60.28 1jyi h SER 184 Cb 1.16 -0.09 -0.29 0.00 0.14 0.00 0.00 62.40 63.33 1jyi h SER 184 CO 0.22 0.35 0.57 -1.54 -1.14 0.00 0.00 176.83 175.29 1jyi n SER 185 N -4.60 3.60 -4.80 3.07 3.41 -1.26 -4.96 113.62 108.08 1jyi n SER 185 Ca 0.19 -3.63 -0.36 0.00 -0.26 0.00 0.00 58.87 54.81 1jyi n SER 185 Cb 0.48 -0.82 -0.07 0.00 -0.26 0.00 0.00 64.21 63.54 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 -3.29 3.77 -0.13 7.33 0.00 -0.96 -1.36 121.76 127.11 1jyi s ALA 186 Ca 0.56 -0.65 -0.29 0.00 0.00 0.00 0.00 51.96 51.58 1jyi s ALA 186 Cb 0.47 -2.10 -0.25 0.00 0.00 0.00 0.00 23.12 21.24 1jyi s ALA 186 CO 0.10 0.36 0.82 0.28 0.00 0.00 0.00 175.76 177.31 1jyi h VAL 187 N 4.36 1.75 -3.62 0.00 2.07 -1.27 -3.46 116.25 116.09 1jyi h VAL 187 Ca -0.47 -2.22 -0.31 0.00 0.82 0.00 0.00 66.70 64.51 1jyi h VAL 187 Cb 1.19 3.26 -0.32 0.00 -1.52 0.00 0.00 31.29 33.90 1jyi h VAL 187 CO 0.68 0.58 -0.74 -0.69 0.02 0.00 0.00 177.57 177.42 1jyi s VAL 188 N -2.42 0.17 -0.05 2.57 1.01 -1.14 -4.86 120.40 115.69 1jyi s VAL 188 Ca -0.19 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 1jyi s VAL 188 Cb -0.03 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 36.16 1jyi s VAL 188 CO 0.69 0.11 -0.01 0.00 0.00 0.00 0.00 175.10 175.88 1jyi s ALA 189 N 0.60 0.58 0.14 5.51 0.00 -1.26 -0.50 121.76 126.83 1jyi s ALA 189 Ca -0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 51.96 51.79 1jyi s ALA 189 Cb -0.09 -0.53 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 1jyi s ALA 189 CO -0.01 -0.22 0.26 -1.54 0.00 0.00 0.00 175.76 174.26 1jyi s SER 190 N 1.39 0.05 -0.14 0.00 1.04 -0.89 -0.55 113.70 114.59 1jyi s SER 190 Ca -0.04 -0.77 -0.22 0.00 0.48 0.00 0.00 55.95 55.39 1jyi s SER 190 Cb -0.13 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.45 1jyi s SER 190 CO -0.02 -0.84 0.57 0.72 0.98 0.00 0.00 173.24 174.64 1jyi s PHE 191 N -3.93 -0.58 -0.03 5.02 -0.12 -0.60 -1.34 117.98 116.41 1jyi s PHE 191 Ca 0.13 1.25 0.02 0.00 -0.05 0.00 0.00 56.93 58.28 1jyi s PHE 191 Cb 0.04 0.25 0.00 0.00 -0.63 0.00 0.00 43.02 42.68 1jyi s PHE 191 CO -0.04 -0.40 -0.09 -1.83 -0.05 0.00 0.00 175.22 172.81 1jyi s GLU 192 N -0.35 0.98 0.01 1.99 -1.05 -0.76 -2.36 118.70 117.15 1jyi s GLU 192 Ca -0.05 -0.30 0.07 0.00 -0.15 0.00 0.00 54.97 54.54 1jyi s GLU 192 Cb -0.03 -0.91 -0.02 0.00 -0.44 0.00 0.00 34.13 32.73 1jyi s GLU 192 CO 0.04 0.10 -0.22 0.00 0.95 0.00 0.00 175.26 176.13 1jyi s ALA 193 N 0.25 1.86 0.00 -0.84 0.00 -0.61 -1.82 121.76 120.60 1jyi s ALA 193 Ca -0.04 -1.02 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 1jyi s ALA 193 Cb -0.09 -0.43 -0.00 0.00 0.00 0.00 0.00 23.12 22.60 1jyi s ALA 193 CO 0.01 0.44 0.00 0.99 0.00 0.00 0.00 175.76 177.20 1jyi s THR 194 N -0.64 0.02 0.16 0.00 2.01 0.09 -1.41 115.64 115.87 1jyi s THR 194 Ca 0.09 -0.13 -0.22 0.00 0.31 0.00 0.00 61.69 61.74 1jyi s THR 194 Cb -0.09 -0.05 0.06 0.00 0.01 0.00 0.00 72.50 72.43 1jyi s THR 194 CO 0.00 -0.07 0.58 0.72 -0.69 0.00 0.00 174.62 175.16 1jyi s PHE 195 N -0.20 -0.46 -0.09 4.92 -0.71 -1.12 0.39 117.98 120.71 1jyi s PHE 195 Ca -0.02 0.22 0.01 0.00 -1.04 0.00 0.00 56.93 56.10 1jyi s PHE 195 Cb -0.01 0.53 0.02 0.00 -1.21 0.00 0.00 43.02 42.34 1jyi s PHE 195 CO -0.00 -0.86 -0.12 0.95 -1.34 0.00 0.00 175.22 173.85 1jyi s THR 196 N -3.77 1.22 0.26 -4.49 -4.23 -0.61 -1.92 115.64 102.10 1jyi s THR 196 Ca 0.02 -0.48 0.10 0.00 -1.18 0.00 0.00 61.69 60.15 1jyi s THR 196 Cb -0.01 -1.15 -0.04 0.00 1.34 0.00 0.00 72.50 72.64 1jyi s THR 196 CO -0.11 0.39 -0.04 0.72 -0.54 0.00 0.00 174.62 175.03 1jyi s PHE 197 N 1.07 2.62 -0.23 3.99 -0.12 -0.77 -0.56 117.98 123.98 1jyi s PHE 197 Ca -0.06 -0.24 -0.02 0.00 -0.05 0.00 0.00 56.93 56.55 1jyi s PHE 197 Cb -0.15 -1.16 0.07 0.00 -0.63 0.00 0.00 43.02 41.15 1jyi s PHE 197 CO -0.01 0.63 0.06 -1.17 -0.05 0.00 0.00 175.22 174.67 1jyi s LEU 198 N -3.60 1.44 -0.43 -1.99 2.96 -0.32 -1.50 118.68 115.23 1jyi s LEU 198 Ca 0.31 -1.08 -0.09 0.00 -0.22 0.00 0.00 54.13 53.05 1jyi s LEU 198 Cb -0.06 -0.66 0.09 0.00 0.50 0.00 0.00 46.19 46.06 1jyi s LEU 198 CO 0.19 -0.34 0.27 -0.63 -1.32 0.00 0.00 176.35 174.51 1jyi s ILE 199 N 1.80 4.16 0.10 6.68 1.01 -1.26 -3.09 121.20 130.60 1jyi s ILE 199 Ca 0.02 -1.51 0.03 0.00 0.00 0.00 0.00 60.65 59.19 1jyi s ILE 199 Cb -0.17 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1jyi s ILE 199 CO -0.15 -0.56 0.15 -0.54 0.00 0.00 0.00 174.94 173.83 1jyi s LYS 200 N 1.40 3.09 -0.11 2.79 1.02 -1.26 -1.92 119.74 124.75 1jyi s LYS 200 Ca 0.04 -0.66 -0.10 0.00 0.02 0.00 0.00 55.97 55.27 1jyi s LYS 200 Cb -0.24 -2.81 0.03 0.00 -0.52 0.00 0.00 37.83 34.29 1jyi s LYS 200 CO 0.01 0.55 0.28 0.45 -0.92 0.00 0.00 175.35 175.73 1jyi s SER 201 N -2.67 -0.29 -0.24 2.83 0.15 -1.26 -1.03 113.70 111.19 1jyi s SER 201 Ca 0.32 0.56 -0.15 0.00 0.70 0.00 0.00 55.95 57.39 1jyi s SER 201 Cb -0.12 0.57 -0.16 0.00 -1.71 0.00 0.00 66.02 64.61 1jyi s SER 201 CO 0.24 -0.10 -0.10 -0.81 1.20 0.00 0.00 173.24 173.68 1jyi n PRO 202 N 2.92 0.60 -0.75 5.44 -0.04 -1.26 -5.00 135.00 136.91 1jyi n PRO 202 Ca -0.13 0.36 -0.25 0.00 -0.04 0.00 0.00 63.50 63.44 1jyi n PRO 202 Cb 0.58 -1.60 0.22 0.00 -0.04 0.00 0.00 33.50 32.66 1jyi n PRO 202 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1jyi n ASP 203 N -4.16 -2.30 0.00 3.54 3.85 -1.26 -4.99 116.55 111.23 1jyi n ASP 203 Ca -0.45 -1.00 0.00 0.00 -0.71 0.00 0.00 54.79 52.63 1jyi n ASP 203 Cb 0.84 -0.85 0.00 0.00 -1.35 0.00 0.00 41.12 39.76 1jyi n ASP 203 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1jyi n SER 204 N -4.74 0.00 -4.40 -1.12 3.41 -1.26 -4.68 113.62 100.83 1jyi n SER 204 Ca 0.13 0.70 -0.32 0.00 -0.26 0.00 0.00 58.87 59.11 1jyi n SER 204 Cb 0.50 -0.20 -0.14 0.00 -0.26 0.00 0.00 64.21 64.10 1jyi n SER 204 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1jyi s HIS 205 N -1.81 2.64 0.52 7.33 3.76 -1.26 -5.13 115.29 121.35 1jyi s HIS 205 Ca 0.00 -0.38 -0.16 0.00 -0.15 0.00 0.00 55.06 54.37 1jyi s HIS 205 Cb 0.00 -1.66 -0.08 0.00 1.11 0.00 0.00 32.58 31.96 1jyi s HIS 205 CO 0.00 0.01 0.99 -1.25 -0.85 0.00 0.00 174.74 173.64 1jyi s PRO 206 N -0.40 3.91 -0.14 8.40 0.04 -1.26 -4.55 135.00 141.00 1jyi s PRO 206 Ca 0.04 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 1jyi s PRO 206 Cb -0.12 -2.13 0.11 0.00 0.04 0.00 0.00 34.50 32.40 1jyi s PRO 206 CO 0.02 -0.30 0.90 0.00 0.04 0.00 0.00 177.00 177.66 1jyi s ALA 207 N -2.67 -1.88 0.00 8.56 0.00 -1.25 -3.84 121.76 120.68 1jyi s ALA 207 Ca 0.59 1.53 0.00 0.00 0.00 0.00 0.00 51.96 54.08 1jyi s ALA 207 Cb -0.10 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.47 1jyi s ALA 207 CO 0.33 -0.32 0.00 -0.25 0.00 0.00 0.00 175.76 175.52 1jyi n ASP 208 N 0.90 0.01 0.00 0.00 9.92 0.14 -3.10 116.55 124.42 1jyi n ASP 208 Ca -0.13 -0.37 0.00 0.00 -0.53 0.00 0.00 54.79 53.76 1jyi n ASP 208 Cb 0.57 0.72 0.00 0.00 -0.64 0.00 0.00 41.12 41.77 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 0.72 2.66 3.46 0.44 0.00 -1.22 -3.45 105.19 107.80 1jyi n GLY 209 Ca 0.00 -1.97 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.88 2.54 -0.17 -0.61 1.01 -0.79 -2.47 121.20 118.82 1jyi s ILE 210 Ca 0.00 -2.03 -0.16 0.00 0.00 0.00 0.00 60.65 58.47 1jyi s ILE 210 Cb 0.00 -2.25 0.05 0.00 0.01 0.00 0.00 42.46 40.27 1jyi s ILE 210 CO 0.00 -0.17 0.46 0.00 0.00 0.00 0.00 174.94 175.24 1jyi s ALA 211 N -1.82 -1.14 -0.27 9.38 0.00 0.27 -0.16 121.76 128.02 1jyi s ALA 211 Ca 0.23 1.33 -0.13 0.00 0.00 0.00 0.00 51.96 53.39 1jyi s ALA 211 Cb -0.08 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1jyi s ALA 211 CO 0.12 -0.22 0.28 0.12 0.00 0.00 0.00 175.76 176.06 1jyi s PHE 212 N 0.34 3.25 0.22 0.00 5.36 -0.25 -0.32 117.98 126.57 1jyi s PHE 212 Ca -0.01 0.29 0.07 0.00 -0.96 0.00 0.00 56.93 56.32 1jyi s PHE 212 Cb -0.04 -2.46 -0.05 0.00 -0.34 0.00 0.00 43.02 40.13 1jyi s PHE 212 CO -0.01 -0.16 -0.11 -0.59 -1.46 0.00 0.00 175.22 172.89 1jyi s PHE 213 N 1.81 1.72 -0.02 10.12 -0.71 -0.47 -0.78 117.98 129.64 1jyi s PHE 213 Ca 0.11 -0.63 0.04 0.00 -1.04 0.00 0.00 56.93 55.41 1jyi s PHE 213 Cb -0.16 -0.86 -0.01 0.00 -1.21 0.00 0.00 43.02 40.79 1jyi s PHE 213 CO 0.10 0.30 -0.14 0.42 -1.34 0.00 0.00 175.22 174.56 1jyi s ILE 214 N -3.03 1.13 0.37 -4.49 1.01 0.70 -1.95 121.20 114.95 1jyi s ILE 214 Ca 0.24 -0.58 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 1jyi s ILE 214 Cb 0.01 -0.97 0.06 0.00 0.01 0.00 0.00 42.46 41.57 1jyi s ILE 214 CO 0.08 0.33 0.79 -1.54 0.00 0.00 0.00 174.94 174.60 1jyi n SER 215 N 2.99 -2.23 -4.75 3.58 3.41 -0.86 -1.56 113.62 114.21 1jyi n SER 215 Ca -0.16 -2.52 -0.38 0.00 -0.26 0.00 0.00 58.87 55.55 1jyi n SER 215 Cb 0.54 3.71 0.04 0.00 -0.26 0.00 0.00 64.21 68.24 1jyi n SER 215 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jyi s ASN 216 N -3.06 5.20 0.28 4.04 4.22 -1.23 -0.91 114.94 123.48 1jyi s ASN 216 Ca 0.16 2.64 0.01 0.00 -2.14 0.00 0.00 52.86 53.54 1jyi s ASN 216 Cb -0.05 -2.62 0.61 0.00 1.28 0.00 0.00 41.25 40.47 1jyi s ASN 216 CO 0.11 -1.60 1.75 0.40 -2.04 0.00 0.00 177.10 175.72 1jyi h ILE 217 N 1.23 0.66 -0.20 0.54 2.04 -1.87 -1.04 117.51 118.87 1jyi h ILE 217 Ca -0.51 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1jyi h ILE 217 Cb 1.30 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1jyi h ILE 217 CO 0.56 0.11 0.00 -0.90 0.00 0.00 0.00 178.15 177.92 1jyi n ASP 218 N -4.90 1.76 -4.60 1.72 5.75 -1.26 -4.89 116.55 110.13 1jyi n ASP 218 Ca 0.19 -2.13 -0.35 0.00 -0.01 0.00 0.00 54.79 52.49 1jyi n ASP 218 Cb 0.51 -0.34 0.09 0.00 -1.03 0.00 0.00 41.12 40.35 1jyi n ASP 218 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1jyi n SER 219 N 0.16 0.26 -3.50 -1.12 2.88 -0.40 -5.03 113.62 106.88 1jyi n SER 219 Ca 0.08 0.63 -0.12 0.00 -1.33 0.00 0.00 58.87 58.13 1jyi n SER 219 Cb 0.35 -1.39 -0.04 0.00 -0.75 0.00 0.00 64.21 62.38 1jyi n SER 219 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1jyi s SER 220 N -1.71 -0.50 -0.13 -3.46 1.04 -1.26 -5.08 113.70 102.60 1jyi s SER 220 Ca 0.72 0.25 -0.36 0.00 0.48 0.00 0.00 55.95 57.04 1jyi s SER 220 Cb -0.33 0.47 -0.13 0.00 0.10 0.00 0.00 66.02 66.13 1jyi s SER 220 CO 0.52 -0.67 1.84 -0.38 0.98 0.00 0.00 173.24 175.53 1jyi n ILE 221 N 0.18 0.50 -2.34 -1.02 5.41 -1.26 -4.95 119.36 115.88 1jyi n ILE 221 Ca -0.14 -0.09 -0.35 0.00 1.00 0.00 0.00 62.75 63.17 1jyi n ILE 221 Cb 0.61 -1.70 -0.01 0.00 -0.71 0.00 0.00 39.64 37.83 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 3.86 3.51 0.26 0.38 0.02 -1.26 -4.95 135.00 136.82 1jyi s PRO 222 Ca 0.94 1.55 -0.30 0.00 0.02 0.00 0.00 61.00 63.22 1jyi s PRO 222 Cb -0.79 -2.06 -0.10 0.00 0.02 0.00 0.00 34.50 31.58 1jyi s PRO 222 CO 0.55 -0.71 1.36 -1.12 -0.33 0.00 0.00 177.00 176.75 1jyi s SER 223 N -1.80 6.76 -0.06 2.53 0.01 -1.26 -2.65 113.70 117.23 1jyi s SER 223 Ca 0.71 2.59 0.00 0.00 1.31 0.00 0.00 55.95 60.56 1jyi s SER 223 Cb -0.22 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.38 1jyi s SER 223 CO 0.25 -0.60 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1jyi n GLY 224 N 1.86 0.38 1.72 3.44 0.00 -1.26 -4.88 105.19 106.45 1jyi n GLY 224 Ca 0.05 -0.06 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.22 5.66 -3.32 1.61 3.41 -1.09 -4.83 113.62 114.84 1jyi n SER 225 Ca -0.01 -2.62 -0.14 0.00 -0.26 0.00 0.00 58.87 55.85 1jyi n SER 225 Cb 0.16 -1.16 0.08 0.00 -0.26 0.00 0.00 64.21 63.04 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 1.35 0.00 0.00 6.66 5.66 -1.26 -0.46 114.28 126.23 1jyi n THR 226 Ca 0.16 -0.78 0.00 0.00 -3.05 0.00 0.00 64.05 60.38 1jyi n THR 226 Cb 0.58 -1.31 0.00 0.00 -1.55 0.00 0.00 70.33 68.05 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 0.47 3.07 0.00 1.09 0.00 -0.50 -2.40 105.19 106.92 1jyi n GLY 227 Ca 0.09 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 0.16 -0.02 1.61 1.85 -1.26 -2.32 116.66 130.68 1jyi n ARG 228 Ca 0.00 0.17 0.13 0.00 -1.00 0.00 0.00 57.85 57.15 1jyi n ARG 228 Cb 0.00 -1.50 0.48 0.00 -1.05 0.00 0.00 32.46 30.39 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 -1.25 1.60 -0.39 2.89 4.77 -1.01 -4.94 117.00 118.67 1jyi n LEU 229 Ca 0.05 -0.57 -0.04 0.00 -0.03 0.00 0.00 56.01 55.42 1jyi n LEU 229 Cb 0.07 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1jyi n LEU 229 CO 0.07 0.28 -0.04 0.18 -1.33 0.00 0.00 177.39 176.56 1jyi n LEU 230 N 0.26 0.22 -0.54 2.23 4.77 -0.98 -1.43 117.00 121.53 1jyi n LEU 230 Ca 0.18 0.10 -0.07 0.00 -0.03 0.00 0.00 56.01 56.20 1jyi n LEU 230 Cb 0.36 -2.02 -0.03 0.00 -2.33 0.00 0.00 43.42 39.40 1jyi n LEU 230 CO 0.16 -0.74 -0.07 0.61 -1.33 0.00 0.00 177.39 176.02 1jyi n GLY 231 N 0.45 0.89 0.44 -0.72 0.00 0.40 -3.94 105.19 102.70 1jyi n GLY 231 Ca -0.04 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.80 1.55 -4.77 0.99 4.77 -0.51 -4.60 117.00 113.63 1jyi n LEU 232 Ca -0.07 0.09 -0.28 0.00 -0.03 0.00 0.00 56.01 55.71 1jyi n LEU 232 Cb 0.29 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 1jyi n LEU 232 CO 0.11 0.40 -0.26 -0.36 -1.33 0.00 0.00 177.39 175.95 1jyi s PHE 233 N -2.23 3.12 -0.36 -1.77 0.08 -1.10 -4.75 117.98 110.96 1jyi s PHE 233 Ca -0.17 0.01 0.23 0.00 0.12 0.00 0.00 56.93 57.11 1jyi s PHE 233 Cb 0.06 -1.54 0.19 0.00 -0.57 0.00 0.00 43.02 41.15 1jyi s PHE 233 CO 0.24 0.52 1.32 -1.00 -0.10 0.00 0.00 175.22 176.20 1jyi h PRO 234 N 2.87 0.00 0.00 0.24 0.13 -1.91 -3.41 132.00 129.92 1jyi h PRO 234 Ca -0.47 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 1jyi h PRO 234 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1jyi h PRO 234 CO 0.63 0.00 -0.04 -0.40 -0.23 0.00 0.00 178.00 177.97 1jyi n ASP 235 N -2.83 -0.99 -1.54 1.44 5.68 -1.26 -4.87 116.55 112.18 1jyi n ASP 235 Ca 0.02 -2.16 -0.10 0.00 -0.50 0.00 0.00 54.79 52.05 1jyi n ASP 235 Cb 0.53 1.78 0.20 0.00 -1.14 0.00 0.00 41.12 42.50 1jyi n ASP 235 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jyi n ALA 236 N -1.52 4.67 1.79 2.12 0.00 -1.26 -4.74 120.51 121.57 1jyi n ALA 236 Ca -0.09 -2.97 0.15 0.00 0.00 0.00 0.00 53.44 50.53 1jyi n ALA 236 Cb 0.37 -0.99 0.77 0.00 0.00 0.00 0.00 19.45 19.60 1jyi n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59