#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jyc s ASP 2 N 0.00 6.25 -0.27 0.00 1.01 -1.26 -5.05 116.67 117.35 1jyc s ASP 2 Ca 0.00 0.41 -0.08 0.00 0.71 0.00 0.00 52.55 53.59 1jyc s ASP 2 Cb 0.00 -1.99 -0.02 0.00 1.01 0.00 0.00 42.92 41.92 1jyc s ASP 2 CO 0.00 0.38 0.11 -0.89 0.21 0.00 0.00 175.17 174.98 1jyc s THR 3 N -1.06 4.45 -0.03 -1.27 2.01 -1.26 -5.04 115.64 113.45 1jyc s THR 3 Ca 0.17 -0.26 0.07 0.00 0.31 0.00 0.00 61.69 61.97 1jyc s THR 3 Cb -0.12 -3.16 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 1jyc s THR 3 CO 0.06 0.23 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.36 1jyc s ILE 4 N 1.62 1.87 -0.08 1.82 -1.09 -1.26 -3.65 121.20 120.42 1jyc s ILE 4 Ca 0.06 -0.99 -0.00 0.00 -2.23 0.00 0.00 60.65 57.48 1jyc s ILE 4 Cb -0.16 -1.56 0.02 0.00 -1.58 0.00 0.00 42.46 39.18 1jyc s ILE 4 CO 0.05 0.53 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.55 1jyc s VAL 5 N -0.38 0.72 0.06 2.92 1.01 -0.83 -0.21 120.40 123.70 1jyc s VAL 5 Ca 0.04 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 1jyc s VAL 5 Cb -0.11 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.52 1jyc s VAL 5 CO 0.01 0.30 0.28 0.00 0.00 0.00 0.00 175.10 175.68 1jyc s ALA 6 N 1.47 -0.58 -0.28 5.51 0.00 -0.46 -0.59 121.76 126.83 1jyc s ALA 6 Ca -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.76 1jyc s ALA 6 Cb -0.13 0.39 0.03 0.00 0.00 0.00 0.00 23.12 23.40 1jyc s ALA 6 CO -0.04 -0.45 0.00 0.08 0.00 0.00 0.00 175.76 175.35 1jyc s VAL 7 N -2.94 3.26 -0.05 0.00 1.01 -0.27 0.12 120.40 121.53 1jyc s VAL 7 Ca -0.02 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 60.88 1jyc s VAL 7 Cb 0.01 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1jyc s VAL 7 CO -0.06 0.08 0.21 -1.83 0.00 0.00 0.00 175.10 173.49 1jyc s GLU 8 N 1.36 3.52 -0.94 2.72 -1.05 -0.11 -1.33 118.70 122.87 1jyc s GLU 8 Ca -0.00 -0.11 -0.02 0.00 -0.15 0.00 0.00 54.97 54.68 1jyc s GLU 8 Cb -0.18 -3.14 0.25 0.00 -0.44 0.00 0.00 34.13 30.62 1jyc s GLU 8 CO -0.01 0.71 0.97 1.28 0.95 0.00 0.00 175.26 179.16 1jyc n LEU 9 N 1.50 4.78 -4.59 1.83 4.32 0.16 -2.04 117.00 122.96 1jyc n LEU 9 Ca -0.15 -5.17 -0.43 0.00 -0.02 0.00 0.00 56.01 50.24 1jyc n LEU 9 Cb 0.54 -1.14 -0.02 0.00 -1.62 0.00 0.00 43.42 41.17 1jyc n LEU 9 CO 0.37 1.61 1.32 -0.62 -1.22 0.00 0.00 177.39 178.85 1jyc s ASP 10 N -0.50 6.17 -0.00 -1.43 -1.08 -0.70 -2.38 116.67 116.75 1jyc s ASP 10 Ca 0.30 0.84 0.14 0.00 -0.52 0.00 0.00 52.55 53.31 1jyc s ASP 10 Cb -0.03 -2.54 0.41 0.00 -1.46 0.00 0.00 42.92 39.31 1jyc s ASP 10 CO -0.06 -1.57 1.34 0.35 0.52 0.00 0.00 175.17 175.75 1jyc n THR 11 N 7.13 0.63 -3.78 1.71 -2.24 -1.16 -1.81 114.28 114.76 1jyc n THR 11 Ca 0.17 -0.62 -0.13 0.00 -2.27 0.00 0.00 64.05 61.20 1jyc n THR 11 Cb 0.48 0.30 -0.14 0.00 -2.10 0.00 0.00 70.33 68.87 1jyc n THR 11 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1jyc s TYR 12 N -1.39 -0.10 -0.79 4.78 5.04 -1.25 -4.49 117.35 119.14 1jyc s TYR 12 Ca 0.31 0.33 -0.21 0.00 -2.44 0.00 0.00 57.07 55.07 1jyc s TYR 12 Cb 0.16 -0.08 0.10 0.00 0.35 0.00 0.00 41.96 42.49 1jyc s TYR 12 CO 0.21 -0.11 1.05 -2.14 -1.34 0.00 0.00 175.55 173.22 1jyc s PRO 13 N 0.78 3.35 -1.11 4.97 0.02 -1.26 -4.90 135.00 136.84 1jyc s PRO 13 Ca -0.06 -1.28 -0.05 0.00 0.02 0.00 0.00 61.00 59.63 1jyc s PRO 13 Cb -0.08 -4.59 0.29 0.00 0.02 0.00 0.00 34.50 30.14 1jyc s PRO 13 CO -0.03 -1.81 1.53 0.09 -0.33 0.00 0.00 177.00 176.45 1jyc n ASN 14 N 7.20 6.20 0.00 2.53 4.13 -1.26 -4.79 115.26 129.27 1jyc n ASN 14 Ca 0.10 -3.35 0.00 0.00 1.68 0.00 0.00 54.58 53.01 1jyc n ASN 14 Cb 0.47 -1.31 0.00 0.00 -1.54 0.00 0.00 39.78 37.40 1jyc n ASN 14 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1jyc n THR 15 N 1.69 0.67 1.12 3.41 -2.24 -1.26 -0.99 114.28 116.68 1jyc n THR 15 Ca 0.28 0.18 0.10 0.00 -2.27 0.00 0.00 64.05 62.34 1jyc n THR 15 Cb 0.34 -1.18 0.33 0.00 -2.10 0.00 0.00 70.33 67.72 1jyc n THR 15 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1jyc n ASP 16 N -1.14 1.81 -0.22 3.42 5.75 -1.26 -3.98 116.55 120.92 1jyc n ASP 16 Ca 0.00 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 1jyc n ASP 16 Cb 0.02 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 1jyc n ASP 16 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1jyc n ILE 17 N 0.42 0.00 0.00 2.12 -5.35 -0.16 -5.03 119.36 111.36 1jyc n ILE 17 Ca 0.16 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.64 1jyc n ILE 17 Cb 0.34 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 38.94 1jyc n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jyc n GLY 18 N 0.00 2.12 3.53 3.28 0.00 -1.23 -4.71 105.19 108.18 1jyc n GLY 18 Ca 0.00 -0.62 -0.51 0.00 0.00 0.00 0.00 46.02 44.89 1jyc n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jyc n ASP 19 N 0.00 0.60 -4.06 1.61 9.92 -1.21 -4.92 116.55 118.49 1jyc n ASP 19 Ca 0.00 1.14 -0.29 0.00 -0.53 0.00 0.00 54.79 55.11 1jyc n ASP 19 Cb 0.00 -1.10 0.24 0.00 -0.64 0.00 0.00 41.12 39.62 1jyc n ASP 19 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1jyc s PRO 20 N -0.35 -1.11 -0.28 -0.24 0.04 -1.26 -4.05 135.00 127.76 1jyc s PRO 20 Ca 0.77 0.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.01 1jyc s PRO 20 Cb -0.97 -1.58 0.11 0.00 0.04 0.00 0.00 34.50 32.10 1jyc s PRO 20 CO 0.54 -3.69 2.33 -1.13 0.04 0.00 0.00 177.00 175.09 1jyc n SER 21 N -4.80 6.23 -3.61 6.66 3.41 -1.26 -4.64 113.62 115.61 1jyc n SER 21 Ca 0.09 -2.97 -0.04 0.00 -0.26 0.00 0.00 58.87 55.70 1jyc n SER 21 Cb 0.58 -1.14 -0.02 0.00 -0.26 0.00 0.00 64.21 63.38 1jyc n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1jyc s TYR 22 N -1.33 -0.18 0.47 7.33 -0.85 -1.26 -5.01 117.35 116.52 1jyc s TYR 22 Ca 0.37 0.03 -0.24 0.00 -0.52 0.00 0.00 57.07 56.71 1jyc s TYR 22 Cb 0.25 0.56 -0.08 0.00 0.38 0.00 0.00 41.96 43.07 1jyc s TYR 22 CO -0.06 -0.46 1.26 -2.30 -1.52 0.00 0.00 175.55 172.47 1jyc n PRO 23 N -0.31 1.76 -3.90 -3.49 -0.02 -1.26 -4.70 135.00 123.09 1jyc n PRO 23 Ca -0.06 0.64 -0.08 0.00 -2.02 0.00 0.00 63.50 61.98 1jyc n PRO 23 Cb 0.61 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 1jyc n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1jyc s HIS 24 N -1.25 0.01 0.06 6.00 -3.43 -0.75 -1.30 115.29 114.62 1jyc s HIS 24 Ca 0.65 -0.46 0.08 0.00 -0.80 0.00 0.00 55.06 54.53 1jyc s HIS 24 Cb -0.48 0.57 -0.03 0.00 -1.43 0.00 0.00 32.58 31.22 1jyc s HIS 24 CO 0.55 -1.21 -0.23 0.96 -2.00 0.00 0.00 174.74 172.81 1jyc s ILE 25 N -3.77 1.84 0.23 -5.38 -4.36 -0.67 -1.71 121.20 107.37 1jyc s ILE 25 Ca 0.15 -1.33 -0.17 0.00 -0.26 0.00 0.00 60.65 59.04 1jyc s ILE 25 Cb -0.04 -1.60 0.02 0.00 1.25 0.00 0.00 42.46 42.08 1jyc s ILE 25 CO 0.08 0.21 0.54 -0.83 0.24 0.00 0.00 174.94 175.18 1jyc s GLY 26 N -1.35 0.10 -0.21 6.27 0.00 -0.86 -1.34 107.32 109.93 1jyc s GLY 26 Ca 0.09 -0.45 -0.04 0.00 0.00 0.00 0.00 44.72 44.32 1jyc s GLY 26 CO 0.02 -0.35 -0.03 -0.42 0.00 0.00 0.00 173.10 172.32 1jyc s ILE 27 N -3.93 3.53 -0.15 0.90 1.01 -0.91 -0.93 121.20 120.72 1jyc s ILE 27 Ca 0.14 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.30 1jyc s ILE 27 Cb -0.02 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 1jyc s ILE 27 CO 0.03 0.43 -0.04 -1.81 0.00 0.00 0.00 174.94 173.55 1jyc s ASP 28 N 1.27 4.79 -0.41 3.58 1.01 0.12 -0.70 116.67 126.34 1jyc s ASP 28 Ca 0.03 -0.13 0.04 0.00 0.71 0.00 0.00 52.55 53.21 1jyc s ASP 28 Cb -0.14 -1.77 0.11 0.00 1.01 0.00 0.00 42.92 42.13 1jyc s ASP 28 CO -0.01 0.18 0.13 -0.63 0.21 0.00 0.00 175.17 175.04 1jyc s ILE 29 N 0.32 2.37 -1.35 0.77 -1.09 -1.26 -1.36 121.20 119.60 1jyc s ILE 29 Ca -0.04 -2.70 0.00 0.00 -2.23 0.00 0.00 60.65 55.68 1jyc s ILE 29 Cb -0.14 -2.72 0.00 0.00 -1.58 0.00 0.00 42.46 38.02 1jyc s ILE 29 CO 0.03 -0.68 0.00 0.29 -1.23 0.00 0.00 174.94 173.35 1jyc n LYS 30 N 3.83 -1.37 -3.59 2.79 5.02 0.71 -4.94 118.16 120.61 1jyc n LYS 30 Ca 0.04 0.93 -0.16 0.00 -2.02 0.00 0.00 58.31 57.10 1jyc n LYS 30 Cb 0.38 -5.19 -0.07 0.00 -0.02 0.00 0.00 35.03 30.14 1jyc n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1jyc s SER 31 N -2.58 -0.67 0.26 4.39 0.15 -1.26 -4.95 113.70 109.05 1jyc s SER 31 Ca 0.00 1.01 0.25 0.00 0.70 0.00 0.00 55.95 57.90 1jyc s SER 31 Cb 0.00 0.94 0.96 0.00 -1.71 0.00 0.00 66.02 66.21 1jyc s SER 31 CO 0.00 -0.43 1.74 0.55 1.20 0.00 0.00 173.24 176.30 1jyc n VAL 32 N 1.77 0.77 -2.75 4.45 3.14 -1.26 -4.35 118.33 120.11 1jyc n VAL 32 Ca -0.17 0.11 -0.42 0.00 -2.96 0.00 0.00 64.34 60.90 1jyc n VAL 32 Cb 0.56 -1.04 -0.03 0.00 -1.06 0.00 0.00 33.84 32.27 1jyc n VAL 32 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1jyc s ARG 33 N -3.29 3.42 0.27 1.45 0.52 -1.26 -4.98 118.95 115.08 1jyc s ARG 33 Ca 0.05 -1.12 -0.27 0.00 -0.52 0.00 0.00 55.73 53.88 1jyc s ARG 33 Cb 0.10 -4.77 -0.15 0.00 0.52 0.00 0.00 34.95 30.65 1jyc s ARG 33 CO 0.44 -1.97 0.62 0.43 0.02 0.00 0.00 175.30 174.84 1jyc n SER 34 N 7.93 -0.66 0.08 0.23 7.64 -1.26 -4.81 113.62 122.77 1jyc n SER 34 Ca 0.17 1.09 -0.10 0.00 1.01 0.00 0.00 58.87 61.03 1jyc n SER 34 Cb 0.49 -1.06 -0.02 0.00 -1.01 0.00 0.00 64.21 62.61 1jyc n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jyc h LYS 35 N 1.18 0.24 -2.74 1.43 1.79 -1.27 -3.45 116.57 113.74 1jyc h LYS 35 Ca -0.34 -0.27 -0.12 0.00 -2.18 0.00 0.00 60.65 57.75 1jyc h LYS 35 Cb 1.41 0.08 -0.24 0.00 -1.58 0.00 0.00 32.23 31.90 1jyc h LYS 35 CO 0.56 0.99 -0.23 0.21 -1.08 0.00 0.00 179.45 179.90 1jyc s LYS 36 N -3.19 0.48 0.41 3.15 2.20 -1.25 -5.03 119.74 116.51 1jyc s LYS 36 Ca -0.03 0.57 0.01 0.00 -0.36 0.00 0.00 55.97 56.15 1jyc s LYS 36 Cb 0.10 0.23 -0.00 0.00 -1.51 0.00 0.00 37.83 36.65 1jyc s LYS 36 CO 0.84 -0.06 0.03 0.25 -0.36 0.00 0.00 175.35 176.05 1jyc n THR 37 N 2.85 0.00 -3.64 3.43 -2.24 -1.26 -2.13 114.28 111.28 1jyc n THR 37 Ca -0.13 -2.04 -0.05 0.00 -2.27 0.00 0.00 64.05 59.56 1jyc n THR 37 Cb 0.57 0.49 -0.07 0.00 -2.10 0.00 0.00 70.33 69.23 1jyc n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jyc s ALA 38 N -2.80 -2.07 0.20 6.98 0.00 -0.45 -4.95 121.76 118.67 1jyc s ALA 38 Ca 0.05 2.27 -0.33 0.00 0.00 0.00 0.00 51.96 53.95 1jyc s ALA 38 Cb 0.00 -1.56 -0.14 0.00 0.00 0.00 0.00 23.12 21.43 1jyc s ALA 38 CO 0.03 -0.35 1.48 1.17 0.00 0.00 0.00 175.76 178.09 1jyc n LYS 39 N 3.82 2.03 -4.13 0.00 4.81 -1.26 -1.67 118.16 121.76 1jyc n LYS 39 Ca -0.19 0.73 -0.27 0.00 -0.87 0.00 0.00 58.31 57.71 1jyc n LYS 39 Cb 0.58 -2.43 -0.17 0.00 0.02 0.00 0.00 35.03 33.03 1jyc n LYS 39 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1jyc s TRP 40 N 0.40 1.72 -1.21 5.64 -0.00 -0.42 -4.78 118.94 120.28 1jyc s TRP 40 Ca 0.74 -0.85 -0.09 0.00 -0.00 0.00 0.00 56.10 55.90 1jyc s TRP 40 Cb -0.68 -1.32 -0.11 0.00 -0.00 0.00 0.00 33.47 31.36 1jyc s TRP 40 CO 0.44 -0.51 3.06 0.09 -0.00 0.00 0.00 176.95 180.04 1jyc n ASN 41 N 4.60 7.89 -4.40 5.86 3.02 -1.26 -4.39 115.26 126.57 1jyc n ASN 41 Ca -0.16 -2.61 -0.43 0.00 -0.03 0.00 0.00 54.58 51.35 1jyc n ASN 41 Cb 0.50 -1.50 -0.00 0.00 -0.61 0.00 0.00 39.78 38.17 1jyc n ASN 41 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1jyc n MET 42 N 3.12 0.35 -3.87 3.52 0.00 -1.26 -4.97 117.12 114.02 1jyc n MET 42 Ca 0.69 0.13 -0.29 0.00 -0.00 0.00 0.00 57.70 58.23 1jyc n MET 42 Cb 0.39 -1.30 -0.16 0.00 0.00 0.00 0.00 33.22 32.15 1jyc n MET 42 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1jyc s GLN 43 N -1.33 1.30 -0.02 2.12 -0.21 -1.26 -5.12 119.66 115.14 1jyc s GLN 43 Ca 0.62 -0.64 -0.30 0.00 0.02 0.00 0.00 55.36 55.06 1jyc s GLN 43 Cb -0.66 -2.21 -0.04 0.00 1.00 0.00 0.00 33.01 31.10 1jyc s GLN 43 CO 0.59 -0.54 1.14 1.21 -2.12 0.00 0.00 175.29 175.58 1jyc s ASN 44 N 1.61 7.13 0.00 5.90 3.84 -1.26 -2.89 114.94 129.28 1jyc s ASN 44 Ca -0.02 1.82 0.00 0.00 0.21 0.00 0.00 52.86 54.87 1jyc s ASN 44 Cb -0.17 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 37.97 1jyc s ASN 44 CO -0.07 -0.48 0.00 0.61 -2.79 0.00 0.00 177.10 174.37 1jyc n GLY 45 N 3.21 1.00 3.56 1.21 0.00 -0.92 -4.97 105.19 108.29 1jyc n GLY 45 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1jyc n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jyc s LYS 46 N -0.64 3.18 0.03 1.61 -0.14 -1.14 -5.00 119.74 117.64 1jyc s LYS 46 Ca 0.00 -0.51 -0.30 0.00 -1.36 0.00 0.00 55.97 53.79 1jyc s LYS 46 Cb 0.00 -2.76 -0.06 0.00 -1.68 0.00 0.00 37.83 33.33 1jyc s LYS 46 CO 0.00 0.49 1.36 0.08 -0.76 0.00 0.00 175.35 176.52 1jyc s VAL 47 N -0.33 3.71 0.52 3.17 1.01 -1.26 -4.41 120.40 122.80 1jyc s VAL 47 Ca 0.05 1.14 0.03 0.00 0.00 0.00 0.00 61.98 63.20 1jyc s VAL 47 Cb -0.12 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1jyc s VAL 47 CO 0.02 0.03 0.14 -0.83 0.00 0.00 0.00 175.10 174.46 1jyc s GLY 48 N 1.60 2.80 -0.01 4.51 0.00 0.05 -4.54 107.32 111.73 1jyc s GLY 48 Ca 0.63 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 44.64 1jyc s GLY 48 CO 0.27 -2.11 -0.02 -1.59 0.00 0.00 0.00 173.10 169.66 1jyc s THR 49 N -2.84 0.19 -0.06 0.90 2.01 -0.39 -1.75 115.64 113.71 1jyc s THR 49 Ca 0.16 -0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.15 1jyc s THR 49 Cb 0.00 -0.20 -0.00 0.00 0.01 0.00 0.00 72.50 72.31 1jyc s THR 49 CO 0.09 0.08 -0.20 0.00 -0.69 0.00 0.00 174.62 173.90 1jyc s ALA 50 N 0.22 1.78 -0.11 7.40 0.00 -0.58 -1.39 121.76 129.08 1jyc s ALA 50 Ca -0.02 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1jyc s ALA 50 Cb -0.04 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.50 1jyc s ALA 50 CO -0.01 0.31 -0.12 -1.58 0.00 0.00 0.00 175.76 174.37 1jyc s HIS 51 N 0.06 1.73 -0.04 0.00 2.46 0.35 -2.06 115.29 117.78 1jyc s HIS 51 Ca -0.06 -0.84 0.07 0.00 0.47 0.00 0.00 55.06 54.69 1jyc s HIS 51 Cb -0.13 -1.32 -0.01 0.00 -0.13 0.00 0.00 32.58 30.98 1jyc s HIS 51 CO 0.04 -0.49 -0.25 0.42 -2.47 0.00 0.00 174.74 171.98 1jyc s ILE 52 N 1.31 1.99 0.06 0.89 1.09 0.03 -0.76 121.20 125.81 1jyc s ILE 52 Ca -0.01 -1.05 -0.02 0.00 -1.10 0.00 0.00 60.65 58.47 1jyc s ILE 52 Cb -0.14 -1.67 -0.04 0.00 -1.06 0.00 0.00 42.46 39.55 1jyc s ILE 52 CO -0.05 0.56 -0.00 0.27 -0.10 0.00 0.00 174.94 175.61 1jyc s ILE 53 N -0.32 0.20 -0.26 2.92 -4.36 -0.55 -0.51 121.20 118.32 1jyc s ILE 53 Ca 0.02 -1.78 -0.26 0.00 -0.26 0.00 0.00 60.65 58.37 1jyc s ILE 53 Cb -0.12 -1.57 0.14 0.00 1.25 0.00 0.00 42.46 42.17 1jyc s ILE 53 CO 0.02 -0.92 1.14 -0.47 0.24 0.00 0.00 174.94 174.95 1jyc s TYR 54 N -3.93 -0.34 0.02 1.37 5.04 -0.65 -1.97 117.35 116.89 1jyc s TYR 54 Ca 0.09 0.78 -0.03 0.00 -2.44 0.00 0.00 57.07 55.46 1jyc s TYR 54 Cb 0.08 0.41 -0.01 0.00 0.35 0.00 0.00 41.96 42.79 1jyc s TYR 54 CO -0.09 -0.19 0.04 0.54 -1.34 0.00 0.00 175.55 174.51 1jyc s ASN 55 N -0.12 0.18 0.27 4.32 2.20 -1.26 -1.42 114.94 119.12 1jyc s ASN 55 Ca 0.04 -0.45 0.26 0.00 -0.94 0.00 0.00 52.86 51.76 1jyc s ASN 55 Cb -0.04 0.15 0.89 0.00 -2.00 0.00 0.00 41.25 40.25 1jyc s ASN 55 CO -0.07 -0.37 1.76 0.77 -2.94 0.00 0.00 177.10 176.25 1jyc h SER 56 N 4.31 0.00 -0.04 3.54 4.64 -0.35 0.45 113.55 126.10 1jyc h SER 56 Ca -0.32 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.98 1jyc h SER 56 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1jyc h SER 56 CO 0.44 0.00 -0.06 0.58 -0.87 0.00 0.00 176.83 176.91 1jyc h VAL 57 N 0.00 1.42 0.00 0.95 2.07 -1.89 -3.34 116.25 115.46 1jyc h VAL 57 Ca 0.00 -1.33 -0.12 0.00 0.82 0.00 0.00 66.70 66.07 1jyc h VAL 57 Cb 0.59 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1jyc h VAL 57 CO 0.00 0.36 -1.55 0.47 0.02 0.00 0.00 177.57 176.87 1jyc n ASP 58 N -4.73 0.59 -3.76 0.57 8.00 -1.23 -5.00 116.55 110.99 1jyc n ASP 58 Ca -0.08 0.25 -0.23 0.00 0.71 0.00 0.00 54.79 55.44 1jyc n ASP 58 Cb 0.32 0.68 0.03 0.00 -0.02 0.00 0.00 41.12 42.12 1jyc n ASP 58 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jyc n LYS 59 N -2.70 -4.89 -4.85 -1.24 5.02 0.15 -4.91 118.16 104.74 1jyc n LYS 59 Ca -0.09 0.60 -0.27 0.00 -2.02 0.00 0.00 58.31 56.53 1jyc n LYS 59 Cb 0.76 -5.18 -0.16 0.00 -0.02 0.00 0.00 35.03 30.43 1jyc n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1jyc s ARG 60 N -6.14 2.02 -0.26 1.97 3.52 -1.26 -1.59 118.95 117.22 1jyc s ARG 60 Ca 0.12 -0.61 -0.10 0.00 -0.13 0.00 0.00 55.73 55.01 1jyc s ARG 60 Cb -0.06 -1.67 -0.04 0.00 -1.56 0.00 0.00 34.95 31.62 1jyc s ARG 60 CO 0.82 0.17 0.14 -1.17 -0.81 0.00 0.00 175.30 174.45 1jyc s LEU 61 N 0.28 3.82 0.12 -0.88 2.96 -0.45 -4.11 118.68 120.42 1jyc s LEU 61 Ca -0.10 -0.06 0.08 0.00 -0.22 0.00 0.00 54.13 53.83 1jyc s LEU 61 Cb -0.14 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 1jyc s LEU 61 CO 0.04 -0.02 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.42 1jyc s SER 62 N 1.59 2.46 -0.02 3.68 0.01 -0.83 -1.57 113.70 119.01 1jyc s SER 62 Ca 0.07 -0.75 -0.06 0.00 1.31 0.00 0.00 55.95 56.51 1jyc s SER 62 Cb -0.15 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 65.95 1jyc s SER 62 CO 0.07 -0.01 0.14 0.00 0.41 0.00 0.00 173.24 173.86 1jyc s ALA 63 N -1.57 -0.34 -0.03 1.44 0.00 -0.56 -1.48 121.76 119.22 1jyc s ALA 63 Ca 0.09 0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.13 1jyc s ALA 63 Cb -0.08 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1jyc s ALA 63 CO 0.05 -0.16 -0.06 0.08 0.00 0.00 0.00 175.76 175.67 1jyc s VAL 64 N -0.87 0.59 -0.07 0.00 1.01 0.06 -2.13 120.40 119.00 1jyc s VAL 64 Ca -0.10 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1jyc s VAL 64 Cb -0.05 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1jyc s VAL 64 CO 0.01 0.21 -0.12 -0.69 0.00 0.00 0.00 175.10 174.51 1jyc s VAL 65 N 0.48 1.11 0.20 2.92 1.01 -0.62 -0.49 120.40 125.01 1jyc s VAL 65 Ca -0.07 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 1jyc s VAL 65 Cb -0.10 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1jyc s VAL 65 CO 0.00 0.35 0.33 -0.94 0.00 0.00 0.00 175.10 174.84 1jyc s SER 66 N 0.72 0.00 0.08 3.32 1.04 -0.48 -1.08 113.70 117.31 1jyc s SER 66 Ca -0.14 -0.95 0.08 0.00 0.48 0.00 0.00 55.95 55.42 1jyc s SER 66 Cb -0.16 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 1jyc s SER 66 CO 0.03 -0.97 -0.20 -0.31 0.98 0.00 0.00 173.24 172.77 1jyc s TYR 67 N -4.01 1.77 0.03 5.02 1.51 -1.26 -1.26 117.35 119.16 1jyc s TYR 67 Ca 0.22 -0.40 -0.35 0.00 -1.01 0.00 0.00 57.07 55.53 1jyc s TYR 67 Cb 0.02 -1.00 -0.13 0.00 -0.11 0.00 0.00 41.96 40.74 1jyc s TYR 67 CO 0.04 0.16 1.68 -2.30 -1.11 0.00 0.00 175.55 174.03 1jyc n PRO 68 N 1.37 2.02 0.00 -1.71 -0.02 -1.26 -2.10 135.00 133.29 1jyc n PRO 68 Ca -0.19 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1jyc n PRO 68 Cb 0.53 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1jyc n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1jyc n ASN 69 N 4.70 0.00 -3.62 2.55 5.03 -1.26 -4.99 115.26 117.66 1jyc n ASN 69 Ca 0.20 0.00 -0.27 0.00 0.87 0.00 0.00 54.58 55.38 1jyc n ASN 69 Cb 0.27 0.00 0.21 0.00 -1.02 0.00 0.00 39.78 39.24 1jyc n ASN 69 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jyc n ALA 70 N 0.00 -2.17 -2.02 5.41 0.00 -0.89 -5.07 120.51 115.78 1jyc n ALA 70 Ca 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 53.44 51.85 1jyc n ALA 70 Cb 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 19.45 19.39 1jyc n ALA 70 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jyc n ASP 71 N -4.19 0.19 -4.39 0.00 3.85 -1.26 -4.65 116.55 106.10 1jyc n ASP 71 Ca 0.15 -1.18 -0.31 0.00 -0.71 0.00 0.00 54.79 52.73 1jyc n ASP 71 Cb 0.53 -0.14 -0.14 0.00 -1.35 0.00 0.00 41.12 40.02 1jyc n ASP 71 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 1jyc s SER 72 N -1.80 3.46 -0.15 -1.12 0.01 -1.26 -4.05 113.70 108.79 1jyc s SER 72 Ca 0.13 -0.42 -0.09 0.00 1.31 0.00 0.00 55.95 56.88 1jyc s SER 72 Cb -0.01 -0.51 -0.05 0.00 0.21 0.00 0.00 66.02 65.67 1jyc s SER 72 CO 0.09 0.30 0.17 0.00 0.41 0.00 0.00 173.24 174.21 1jyc s ALA 73 N -0.74 3.76 0.05 1.44 0.00 -0.24 -4.95 121.76 121.09 1jyc s ALA 73 Ca 0.12 -0.61 0.04 0.00 0.00 0.00 0.00 51.96 51.51 1jyc s ALA 73 Cb -0.10 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 1jyc s ALA 73 CO 0.01 0.38 -0.12 0.99 0.00 0.00 0.00 175.76 177.02 1jyc s THR 74 N -0.34 0.91 -0.17 0.00 2.01 -1.26 -1.58 115.64 115.20 1jyc s THR 74 Ca 0.13 -1.14 -0.15 0.00 0.31 0.00 0.00 61.69 60.84 1jyc s THR 74 Cb -0.12 -0.89 0.04 0.00 0.01 0.00 0.00 72.50 71.55 1jyc s THR 74 CO 0.02 -0.22 0.45 0.54 -0.69 0.00 0.00 174.62 174.73 1jyc s VAL 75 N -1.18 -0.00 0.03 3.82 0.11 -0.91 -4.77 120.40 117.50 1jyc s VAL 75 Ca -0.04 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.02 1jyc s VAL 75 Cb -0.09 -0.63 -0.02 0.00 -1.53 0.00 0.00 36.38 34.10 1jyc s VAL 75 CO 0.01 0.00 -0.03 -0.44 -3.33 0.00 0.00 175.10 171.31 1jyc s SER 76 N 0.30 0.31 -0.14 3.54 0.01 -1.26 -1.50 113.70 114.96 1jyc s SER 76 Ca -0.01 -0.56 -0.09 0.00 1.31 0.00 0.00 55.95 56.61 1jyc s SER 76 Cb -0.03 0.11 0.05 0.00 0.21 0.00 0.00 66.02 66.35 1jyc s SER 76 CO -0.00 -0.33 0.35 -0.47 0.41 0.00 0.00 173.24 173.20 1jyc s TYR 77 N -1.75 -0.49 -0.34 2.43 5.04 -0.61 -4.95 117.35 116.68 1jyc s TYR 77 Ca -0.13 1.08 -0.28 0.00 -2.44 0.00 0.00 57.07 55.31 1jyc s TYR 77 Cb -0.08 0.18 0.02 0.00 0.35 0.00 0.00 41.96 42.43 1jyc s TYR 77 CO -0.02 -0.28 1.01 -0.51 -1.34 0.00 0.00 175.55 174.41 1jyc s ASP 78 N 1.16 6.81 -0.15 4.32 1.01 -1.26 -1.34 116.67 127.22 1jyc s ASP 78 Ca -0.08 0.84 -0.10 0.00 0.71 0.00 0.00 52.55 53.92 1jyc s ASP 78 Cb -0.08 -2.51 0.05 0.00 1.01 0.00 0.00 42.92 41.39 1jyc s ASP 78 CO -0.09 -0.88 0.37 0.54 0.21 0.00 0.00 175.17 175.32 1jyc s VAL 79 N 3.60 -0.02 -0.53 -1.27 0.11 -0.62 -5.00 120.40 116.67 1jyc s VAL 79 Ca 0.42 0.08 -0.22 0.00 -2.93 0.00 0.00 61.98 59.33 1jyc s VAL 79 Cb -0.12 -0.55 0.05 0.00 -1.53 0.00 0.00 36.38 34.23 1jyc s VAL 79 CO 0.17 0.03 0.82 -0.62 -3.33 0.00 0.00 175.10 172.18 1jyc s ASP 80 N 1.07 6.30 0.20 3.54 2.15 -1.26 -4.48 116.67 124.19 1jyc s ASP 80 Ca -0.07 -0.53 0.18 0.00 0.43 0.00 0.00 52.55 52.56 1jyc s ASP 80 Cb -0.07 -2.38 0.85 0.00 -0.30 0.00 0.00 42.92 41.01 1jyc s ASP 80 CO -0.09 -1.10 1.56 0.18 -0.17 0.00 0.00 175.17 175.56 1jyc n LEU 81 N 6.98 0.44 0.27 -1.34 4.77 -1.26 -2.22 117.00 124.64 1jyc n LEU 81 Ca -0.01 0.65 0.16 0.00 -0.03 0.00 0.00 56.01 56.78 1jyc n LEU 81 Cb 0.47 -0.63 0.71 0.00 -2.33 0.00 0.00 43.42 41.63 1jyc n LEU 81 CO 0.60 -0.62 0.98 0.44 -1.33 0.00 0.00 177.39 177.46 1jyc h ASP 82 N 0.00 0.00 -0.33 -1.43 3.32 -1.90 -2.08 116.42 114.00 1jyc h ASP 82 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jyc h ASP 82 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1jyc h ASP 82 CO 0.00 0.05 0.00 0.59 -1.72 0.00 0.00 179.24 178.16 1jyc n ASN 83 N -3.19 3.74 0.00 6.45 3.02 -0.94 -4.58 115.26 119.76 1jyc n ASN 83 Ca -0.00 -2.65 0.00 0.00 -0.03 0.00 0.00 54.58 51.90 1jyc n ASN 83 Cb 0.30 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1jyc n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1jyc n VAL 84 N -0.01 0.00 -4.37 2.41 0.31 -0.99 -5.08 118.33 110.60 1jyc n VAL 84 Ca 0.19 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.25 1jyc n VAL 84 Cb 0.76 -0.45 -0.11 0.00 -0.91 0.00 0.00 33.84 33.13 1jyc n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1jyc s LEU 85 N -3.80 2.66 0.93 7.52 1.43 -0.82 -4.95 118.68 121.66 1jyc s LEU 85 Ca 0.00 -0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 52.23 1jyc s LEU 85 Cb 0.00 -1.37 0.15 0.00 0.03 0.00 0.00 46.19 44.99 1jyc s LEU 85 CO 0.00 0.11 1.10 -2.16 0.23 0.00 0.00 176.35 175.63 1jyc s PRO 86 N -2.75 1.02 0.21 1.29 0.04 -1.26 -4.78 135.00 128.77 1jyc s PRO 86 Ca 0.23 0.59 -0.09 0.00 0.04 0.00 0.00 61.00 61.77 1jyc s PRO 86 Cb -0.08 -1.80 0.20 0.00 0.04 0.00 0.00 34.50 32.85 1jyc s PRO 86 CO 0.12 -2.35 1.87 1.49 0.04 0.00 0.00 177.00 178.17 1jyc h GLU 87 N -1.62 0.93 -5.29 4.56 4.81 -1.95 -3.41 114.58 112.61 1jyc h GLU 87 Ca -0.51 -0.06 -0.64 0.00 -0.13 0.00 0.00 59.36 58.03 1jyc h GLU 87 Cb 1.31 -0.21 -0.21 0.00 0.63 0.00 0.00 28.75 30.26 1jyc h GLU 87 CO 0.57 0.62 -0.66 -1.58 -0.73 0.00 0.00 179.01 177.23 1jyc s TRP 88 N -6.12 3.03 0.30 0.92 0.52 -1.26 -2.48 118.94 113.84 1jyc s TRP 88 Ca -0.13 -0.29 0.05 0.00 0.02 0.00 0.00 56.10 55.75 1jyc s TRP 88 Cb 0.16 -1.96 -0.02 0.00 -1.15 0.00 0.00 33.47 30.49 1jyc s TRP 88 CO 0.78 -0.03 0.17 1.33 0.02 0.00 0.00 176.95 179.21 1jyc n VAL 89 N 3.55 0.00 -4.32 4.03 0.24 -0.31 -4.35 118.33 117.17 1jyc n VAL 89 Ca -0.17 -1.92 -0.19 0.00 -2.04 0.00 0.00 64.34 60.02 1jyc n VAL 89 Cb 0.52 0.83 -0.15 0.00 -1.47 0.00 0.00 33.84 33.57 1jyc n VAL 89 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1jyc s ARG 90 N -3.16 0.73 0.14 7.34 3.52 0.35 0.11 118.95 127.98 1jyc s ARG 90 Ca 0.24 -0.28 0.06 0.00 -0.13 0.00 0.00 55.73 55.63 1jyc s ARG 90 Cb 0.01 -0.70 -0.04 0.00 -1.56 0.00 0.00 34.95 32.66 1jyc s ARG 90 CO 0.17 0.14 0.02 0.14 -0.81 0.00 0.00 175.30 174.96 1jyc s VAL 91 N -0.03 3.93 0.05 7.11 -7.23 -1.26 -1.65 120.40 121.32 1jyc s VAL 91 Ca 0.01 -1.23 -0.09 0.00 -1.81 0.00 0.00 61.98 58.86 1jyc s VAL 91 Cb -0.05 -2.94 0.03 0.00 0.56 0.00 0.00 36.38 33.97 1jyc s VAL 91 CO -0.00 -0.03 0.40 0.61 -0.31 0.00 0.00 175.10 175.77 1jyc n GLY 92 N 0.08 0.90 3.27 2.32 0.00 -0.41 -2.15 105.19 109.20 1jyc n GLY 92 Ca -0.10 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 1jyc n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jyc s LEU 93 N 0.00 2.13 0.04 0.99 1.43 -0.18 -0.79 118.68 122.29 1jyc s LEU 93 Ca 0.09 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1jyc s LEU 93 Cb -0.01 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 1jyc s LEU 93 CO 0.01 0.22 -0.03 -0.55 0.23 0.00 0.00 176.35 176.23 1jyc s SER 94 N -1.00 0.40 0.07 2.29 0.15 -0.47 -0.83 113.70 114.31 1jyc s SER 94 Ca 0.09 -0.71 -0.26 0.00 0.70 0.00 0.00 55.95 55.77 1jyc s SER 94 Cb -0.09 0.13 0.08 0.00 -1.71 0.00 0.00 66.02 64.43 1jyc s SER 94 CO 0.01 -0.42 0.67 0.00 1.20 0.00 0.00 173.24 174.71 1jyc s ALA 95 N -2.47 -1.68 0.21 5.45 0.00 -1.01 -0.15 121.76 122.11 1jyc s ALA 95 Ca -0.06 0.81 -0.13 0.00 0.00 0.00 0.00 51.96 52.59 1jyc s ALA 95 Cb -0.03 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.63 1jyc s ALA 95 CO -0.04 -0.64 0.43 -1.54 0.00 0.00 0.00 175.76 173.97 1jyc s SER 96 N -2.24 -0.09 0.10 0.00 1.04 -1.09 -2.68 113.70 108.73 1jyc s SER 96 Ca -0.02 -0.81 -0.02 0.00 0.48 0.00 0.00 55.95 55.58 1jyc s SER 96 Cb -0.01 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1jyc s SER 96 CO -0.06 -1.05 0.06 0.42 0.98 0.00 0.00 173.24 173.59 1jyc s THR 97 N -3.97 0.14 0.00 2.02 -4.23 -0.26 -1.07 115.64 108.27 1jyc s THR 97 Ca 0.18 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 1jyc s THR 97 Cb 0.00 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 72.05 1jyc s THR 97 CO 0.04 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 1jyc n GLY 98 N -0.04 2.83 0.27 3.99 0.00 -1.26 -1.98 105.19 109.00 1jyc n GLY 98 Ca -0.09 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 1jyc n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jyc h LEU 99 N 0.00 0.91 -9.65 0.99 5.85 -1.96 0.72 115.31 112.16 1jyc h LEU 99 Ca 0.00 -0.35 -0.56 0.00 0.84 0.00 0.00 57.88 57.81 1jyc h LEU 99 Cb 0.00 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 40.69 1jyc h LEU 99 CO 0.00 1.11 -0.61 -0.31 -0.34 0.00 0.00 178.44 178.29 1jyc s TYR 100 N -4.58 2.88 0.19 1.25 2.02 -1.26 -4.92 117.35 112.93 1jyc s TYR 100 Ca -0.10 -0.15 -0.00 0.00 -0.37 0.00 0.00 57.07 56.44 1jyc s TYR 100 Cb 0.12 -1.32 -0.04 0.00 -0.40 0.00 0.00 41.96 40.32 1jyc s TYR 100 CO 0.86 0.56 0.10 -1.59 -1.57 0.00 0.00 175.55 173.90 1jyc s LYS 101 N -3.48 1.15 0.24 -0.62 0.00 -1.25 -4.62 119.74 111.16 1jyc s LYS 101 Ca 0.31 -1.59 -0.20 0.00 0.00 0.00 0.00 55.97 54.48 1jyc s LYS 101 Cb -0.08 0.15 0.03 0.00 0.00 0.00 0.00 37.83 37.93 1jyc s LYS 101 CO 0.21 -0.33 0.63 -1.83 0.00 0.00 0.00 175.35 174.04 1jyc s GLU 102 N -4.10 1.58 -0.01 1.78 -1.05 -1.08 -4.18 118.70 111.64 1jyc s GLU 102 Ca 0.34 -0.89 -0.12 0.00 -0.15 0.00 0.00 54.97 54.15 1jyc s GLU 102 Cb 0.07 0.57 -0.05 0.00 -0.44 0.00 0.00 34.13 34.28 1jyc s GLU 102 CO 0.09 -0.70 0.35 0.95 0.95 0.00 0.00 175.26 176.90 1jyc s THR 103 N -3.89 5.15 -0.71 1.83 -4.23 0.25 -4.73 115.64 109.31 1jyc s THR 103 Ca 0.10 0.61 0.05 0.00 -1.18 0.00 0.00 61.69 61.26 1jyc s THR 103 Cb -0.03 -3.63 0.23 0.00 1.34 0.00 0.00 72.50 70.41 1jyc s THR 103 CO 0.01 0.52 0.75 0.59 -0.54 0.00 0.00 174.62 175.95 1jyc n ASN 104 N 1.63 3.83 -4.70 3.99 4.13 -1.26 -3.39 115.26 119.48 1jyc n ASN 104 Ca -0.14 -3.37 -0.39 0.00 1.68 0.00 0.00 54.58 52.36 1jyc n ASN 104 Cb 0.53 -0.76 -0.05 0.00 -1.54 0.00 0.00 39.78 37.95 1jyc n ASN 104 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1jyc s THR 105 N -2.20 5.08 -0.21 3.41 2.01 -1.17 -2.43 115.64 120.12 1jyc s THR 105 Ca 0.35 1.23 -0.07 0.00 0.31 0.00 0.00 61.69 63.52 1jyc s THR 105 Cb 0.08 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1jyc s THR 105 CO -0.05 0.23 0.05 -0.63 -0.69 0.00 0.00 174.62 173.53 1jyc s ILE 106 N 1.08 4.39 -0.10 1.82 -1.09 -0.52 -1.23 121.20 125.55 1jyc s ILE 106 Ca 0.32 -0.16 0.22 0.00 -2.23 0.00 0.00 60.65 58.80 1jyc s ILE 106 Cb -0.16 -3.01 -0.30 0.00 -1.58 0.00 0.00 42.46 37.40 1jyc s ILE 106 CO 0.14 0.40 0.56 0.18 -1.23 0.00 0.00 174.94 174.98 1jyc n LEU 107 N 4.25 0.13 -3.56 2.97 4.32 -0.35 -1.89 117.00 122.85 1jyc n LEU 107 Ca -0.16 0.01 -0.12 0.00 -0.02 0.00 0.00 56.01 55.71 1jyc n LEU 107 Cb 0.52 -0.01 -0.05 0.00 -1.62 0.00 0.00 43.42 42.26 1jyc n LEU 107 CO 0.33 -0.01 0.71 -0.94 -1.22 0.00 0.00 177.39 176.26 1jyc s SER 108 N -4.52 -0.43 -0.13 -1.43 1.04 -1.25 -4.61 113.70 102.37 1jyc s SER 108 Ca -0.06 0.45 -0.07 0.00 0.48 0.00 0.00 55.95 56.75 1jyc s SER 108 Cb 0.14 0.35 0.05 0.00 0.10 0.00 0.00 66.02 66.66 1jyc s SER 108 CO 0.90 -0.40 0.31 0.86 0.98 0.00 0.00 173.24 175.88 1jyc s TRP 109 N -1.20 -0.43 0.07 5.02 -0.00 0.62 -2.10 118.94 120.92 1jyc s TRP 109 Ca -0.03 0.98 0.04 0.00 -0.00 0.00 0.00 56.10 57.09 1jyc s TRP 109 Cb -0.00 0.13 -0.03 0.00 -0.00 0.00 0.00 33.47 33.57 1jyc s TRP 109 CO 0.03 -0.28 -0.12 -1.12 -0.00 0.00 0.00 176.95 175.46 1jyc s SER 110 N 1.34 1.51 -0.15 5.86 0.01 0.58 0.11 113.70 122.96 1jyc s SER 110 Ca -0.09 -0.64 -0.21 0.00 1.31 0.00 0.00 55.95 56.32 1jyc s SER 110 Cb -0.10 -0.03 0.05 0.00 0.21 0.00 0.00 66.02 66.16 1jyc s SER 110 CO -0.10 -0.13 0.54 0.12 0.41 0.00 0.00 173.24 174.08 1jyc s PHE 111 N -1.49 -0.55 -0.08 2.43 5.36 -0.52 -1.28 117.98 121.84 1jyc s PHE 111 Ca -0.02 1.24 -0.04 0.00 -0.96 0.00 0.00 56.93 57.14 1jyc s PHE 111 Cb -0.09 0.23 0.04 0.00 -0.34 0.00 0.00 43.02 42.86 1jyc s PHE 111 CO 0.02 -0.37 0.19 0.99 -1.46 0.00 0.00 175.22 174.58 1jyc s THR 112 N -0.24 -0.04 -0.00 0.12 2.01 -0.78 -1.70 115.64 115.01 1jyc s THR 112 Ca -0.04 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.12 1jyc s THR 112 Cb -0.03 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 72.18 1jyc s THR 112 CO 0.03 0.05 -0.10 -0.55 -0.69 0.00 0.00 174.62 173.36 1jyc s SER 113 N 0.98 1.20 -0.02 3.53 0.15 0.05 -1.77 113.70 117.81 1jyc s SER 113 Ca -0.07 -0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.35 1jyc s SER 113 Cb -0.09 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 1jyc s SER 113 CO -0.06 0.11 0.06 -0.54 1.20 0.00 0.00 173.24 174.01 1jyc s LYS 114 N -0.31 0.09 -0.06 5.44 1.02 -0.18 -1.58 119.74 124.16 1jyc s LYS 114 Ca 0.03 0.04 -0.01 0.00 0.02 0.00 0.00 55.97 56.06 1jyc s LYS 114 Cb -0.04 0.04 0.03 0.00 -0.52 0.00 0.00 37.83 37.34 1jyc s LYS 114 CO -0.00 -0.01 -0.00 -0.51 -0.92 0.00 0.00 175.35 173.90 1jyc s LEU 115 N -0.06 0.78 -0.11 3.17 1.02 -0.23 -1.59 118.68 121.65 1jyc s LEU 115 Ca -0.01 -0.07 -0.00 0.00 0.02 0.00 0.00 54.13 54.06 1jyc s LEU 115 Cb -0.01 -0.39 -0.02 0.00 0.02 0.00 0.00 46.19 45.79 1jyc s LEU 115 CO 0.00 -0.16 -0.10 -0.75 0.02 0.00 0.00 176.35 175.36 1jyc s LYS 116 N 1.66 3.22 0.00 1.70 2.20 -0.80 -0.04 119.74 127.68 1jyc s LYS 116 Ca -0.00 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 1jyc s LYS 116 Cb -0.13 -2.65 0.00 0.00 -1.51 0.00 0.00 37.83 33.54 1jyc s LYS 116 CO -0.04 0.35 0.00 0.43 -0.36 0.00 0.00 175.35 175.74 1jyc n SER 117 N 3.14 1.53 -2.92 1.43 7.64 -0.73 -0.01 113.62 123.69 1jyc n SER 117 Ca -0.18 -0.13 -0.16 0.00 1.01 0.00 0.00 58.87 59.41 1jyc n SER 117 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 1jyc n SER 117 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1jyc n ASN 118 N -0.20 4.00 -3.61 6.43 3.02 -1.26 -4.62 115.26 119.03 1jyc n ASN 118 Ca 0.00 -2.21 -0.03 0.00 -0.03 0.00 0.00 54.58 52.31 1jyc n ASN 118 Cb 0.00 -0.96 -0.06 0.00 -0.61 0.00 0.00 39.78 38.15 1jyc n ASN 118 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1jyc s SER 119 N 3.29 -0.73 0.06 6.41 0.01 -1.26 -5.08 113.70 116.39 1jyc s SER 119 Ca 0.35 1.12 -0.30 0.00 1.31 0.00 0.00 55.95 58.43 1jyc s SER 119 Cb 0.11 1.46 -0.09 0.00 0.21 0.00 0.00 66.02 67.71 1jyc s SER 119 CO -0.02 -0.17 1.91 -0.89 0.41 0.00 0.00 173.24 174.47 1jyc s THR 120 N 1.79 2.88 -0.37 1.44 2.01 -1.26 -1.40 115.64 120.72 1jyc s THR 120 Ca -0.08 0.06 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1jyc s THR 120 Cb -0.05 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.42 1jyc s THR 120 CO -0.17 -0.00 0.00 1.57 -0.69 0.00 0.00 174.62 175.32 1jyc n HIS 121 N 6.89 0.00 -3.13 4.92 -0.00 -1.26 -4.98 115.22 117.66 1jyc n HIS 121 Ca 0.19 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.47 1jyc n HIS 121 Cb 0.40 -1.12 -0.05 0.00 -0.00 0.00 0.00 29.99 29.22 1jyc n HIS 121 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1jyc s GLU 122 N -1.61 3.07 0.02 1.57 8.01 -0.49 -5.03 118.70 124.24 1jyc s GLU 122 Ca 0.00 -1.17 0.04 0.00 0.01 0.00 0.00 54.97 53.85 1jyc s GLU 122 Cb 0.00 -4.21 -0.02 0.00 -4.31 0.00 0.00 34.13 25.60 1jyc s GLU 122 CO 0.00 -1.43 -0.12 0.99 0.01 0.00 0.00 175.26 174.71 1jyc s THR 123 N 2.67 0.92 -0.07 3.63 2.01 -1.26 -1.78 115.64 121.76 1jyc s THR 123 Ca 0.13 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1jyc s THR 123 Cb -0.22 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 1jyc s THR 123 CO 0.08 0.03 -0.13 0.20 -0.69 0.00 0.00 174.62 174.11 1jyc s ASN 124 N -0.89 4.10 0.03 3.53 -0.87 0.94 -4.95 114.94 116.82 1jyc s ASN 124 Ca 0.01 -0.21 -0.04 0.00 -1.57 0.00 0.00 52.86 51.05 1jyc s ASN 124 Cb -0.07 -1.08 -0.01 0.00 -0.02 0.00 0.00 41.25 40.07 1jyc s ASN 124 CO 0.01 0.30 0.05 0.00 -2.57 0.00 0.00 177.10 174.89 1jyc s ALA 125 N -0.46 -0.01 -0.03 0.60 0.00 -1.26 -1.07 121.76 119.55 1jyc s ALA 125 Ca 0.06 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.49 1jyc s ALA 125 Cb -0.12 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.20 1jyc s ALA 125 CO 0.02 -0.24 -0.04 -1.17 0.00 0.00 0.00 175.76 174.33 1jyc s LEU 126 N -1.81 1.55 -0.10 0.00 2.96 -0.61 -5.00 118.68 115.66 1jyc s LEU 126 Ca -0.10 -0.09 -0.08 0.00 -0.22 0.00 0.00 54.13 53.64 1jyc s LEU 126 Cb -0.05 -0.34 0.03 0.00 0.50 0.00 0.00 46.19 46.34 1jyc s LEU 126 CO -0.02 -0.02 0.27 -2.28 -1.32 0.00 0.00 176.35 172.97 1jyc s HIS 127 N 0.54 -0.32 -0.04 5.38 5.65 -1.26 -0.77 115.29 124.48 1jyc s HIS 127 Ca -0.06 0.76 -0.10 0.00 0.25 0.00 0.00 55.06 55.91 1jyc s HIS 127 Cb -0.10 0.09 0.02 0.00 -1.18 0.00 0.00 32.58 31.41 1jyc s HIS 127 CO -0.00 -0.18 0.22 -0.59 -0.65 0.00 0.00 174.74 173.54 1jyc s PHE 128 N 0.51 -0.13 -0.03 3.88 -0.12 -0.69 -5.02 117.98 116.38 1jyc s PHE 128 Ca -0.03 0.27 0.00 0.00 -0.05 0.00 0.00 56.93 57.12 1jyc s PHE 128 Cb -0.05 0.04 0.03 0.00 -0.63 0.00 0.00 43.02 42.42 1jyc s PHE 128 CO -0.03 -0.26 0.01 1.41 -0.05 0.00 0.00 175.22 176.31 1jyc s MET 129 N -0.81 0.22 -0.20 1.99 1.75 -1.26 -1.44 119.30 119.55 1jyc s MET 129 Ca -0.09 0.12 -0.02 0.00 -1.25 0.00 0.00 55.69 54.45 1jyc s MET 129 Cb -0.05 -0.46 0.00 0.00 2.84 0.00 0.00 34.83 37.16 1jyc s MET 129 CO 0.02 -0.16 -0.12 -0.06 -0.65 0.00 0.00 175.02 174.05 1jyc s PHE 130 N 1.16 2.87 -0.02 4.11 0.08 0.30 -4.92 117.98 121.55 1jyc s PHE 130 Ca -0.08 -1.24 0.03 0.00 0.12 0.00 0.00 56.93 55.76 1jyc s PHE 130 Cb -0.13 -2.01 -0.04 0.00 -0.57 0.00 0.00 43.02 40.26 1jyc s PHE 130 CO -0.02 -0.65 0.03 0.09 -0.10 0.00 0.00 175.22 174.56 1jyc n ASN 131 N 4.68 4.29 -4.29 1.36 3.02 -1.26 -0.28 115.26 122.77 1jyc n ASN 131 Ca -0.19 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.11 1jyc n ASN 131 Cb 0.51 0.74 -0.13 0.00 -0.61 0.00 0.00 39.78 40.29 1jyc n ASN 131 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1jyc s GLN 132 N -2.11 1.22 -0.15 3.52 -0.21 -1.26 -4.68 119.66 115.98 1jyc s GLN 132 Ca -0.01 -1.13 0.00 0.00 0.02 0.00 0.00 55.36 54.24 1jyc s GLN 132 Cb 0.01 -1.47 0.03 0.00 1.00 0.00 0.00 33.01 32.58 1jyc s GLN 132 CO 0.12 0.35 -0.09 -0.06 -2.12 0.00 0.00 175.29 173.49 1jyc s PHE 133 N -1.07 1.92 0.61 0.91 0.08 0.60 -5.02 117.98 116.01 1jyc s PHE 133 Ca 0.07 -1.14 -0.13 0.00 0.12 0.00 0.00 56.93 55.85 1jyc s PHE 133 Cb -0.10 -1.44 -0.04 0.00 -0.57 0.00 0.00 43.02 40.88 1jyc s PHE 133 CO 0.04 -0.63 1.03 -1.12 -0.10 0.00 0.00 175.22 174.44 1jyc s SER 134 N 1.57 6.03 0.43 1.36 0.01 -1.26 -3.30 113.70 118.53 1jyc s SER 134 Ca 0.03 1.58 0.12 0.00 1.31 0.00 0.00 55.95 58.98 1jyc s SER 134 Cb -0.14 -2.50 0.99 0.00 0.21 0.00 0.00 66.02 64.58 1jyc s SER 134 CO -0.09 -1.00 2.00 0.50 0.41 0.00 0.00 173.24 175.06 1jyc h LYS 135 N 0.01 0.43 -3.00 12.44 1.63 -1.86 -3.24 116.57 122.99 1jyc h LYS 135 Ca -0.45 -0.03 -0.62 0.00 -0.85 0.00 0.00 60.65 58.71 1jyc h LYS 135 Cb 1.20 -0.10 -0.41 0.00 -0.60 0.00 0.00 32.23 32.32 1jyc h LYS 135 CO 0.60 0.29 -0.62 0.34 -3.45 0.00 0.00 179.45 176.60 1jyc s ASP 136 N -6.35 4.42 -1.10 4.20 2.15 -1.26 -4.74 116.67 113.99 1jyc s ASP 136 Ca -0.08 -3.76 -0.18 0.00 0.43 0.00 0.00 52.55 48.96 1jyc s ASP 136 Cb 0.19 -1.49 0.12 0.00 -0.30 0.00 0.00 42.92 41.44 1jyc s ASP 136 CO 0.74 -0.09 1.38 -1.58 -0.17 0.00 0.00 175.17 175.45 1jyc s GLN 137 N -1.28 3.83 0.04 4.34 2.00 -1.22 -4.87 119.66 122.50 1jyc s GLN 137 Ca 0.26 -1.98 0.11 0.00 -2.00 0.00 0.00 55.36 51.75 1jyc s GLN 137 Cb -0.03 -5.14 0.48 0.00 0.80 0.00 0.00 33.01 29.11 1jyc s GLN 137 CO -0.17 -1.92 1.34 1.63 -0.50 0.00 0.00 175.29 175.67 1jyc n LYS 138 N 6.91 0.02 -0.35 1.67 5.02 -1.26 -2.07 118.16 128.11 1jyc n LYS 138 Ca 0.34 0.36 0.11 0.00 -2.02 0.00 0.00 58.31 57.10 1jyc n LYS 138 Cb 0.47 -1.55 0.30 0.00 -0.02 0.00 0.00 35.03 34.22 1jyc n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1jyc n ASP 139 N -1.60 3.62 -4.30 4.39 5.75 -1.26 -4.89 116.55 118.25 1jyc n ASP 139 Ca 0.02 -2.01 -0.27 0.00 -0.01 0.00 0.00 54.79 52.52 1jyc n ASP 139 Cb 0.11 -0.45 -0.14 0.00 -1.03 0.00 0.00 41.12 39.61 1jyc n ASP 139 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1jyc s LEU 140 N -1.02 2.20 -0.37 -2.12 1.43 -0.88 -0.74 118.68 117.18 1jyc s LEU 140 Ca 0.45 -0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 52.90 1jyc s LEU 140 Cb 0.24 -1.11 0.06 0.00 0.03 0.00 0.00 46.19 45.41 1jyc s LEU 140 CO 0.30 0.19 0.16 -0.63 0.23 0.00 0.00 176.35 176.60 1jyc s ILE 141 N -0.86 3.86 -0.15 -0.59 1.01 0.63 -4.85 121.20 120.25 1jyc s ILE 141 Ca 0.10 -1.31 -0.18 0.00 0.00 0.00 0.00 60.65 59.26 1jyc s ILE 141 Cb -0.09 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 1jyc s ILE 141 CO 0.03 -0.33 0.49 -0.76 0.00 0.00 0.00 174.94 174.37 1jyc s LEU 142 N 1.38 4.23 0.19 2.97 1.43 -1.26 -1.44 118.68 126.18 1jyc s LEU 142 Ca 0.01 0.75 0.11 0.00 -1.03 0.00 0.00 54.13 53.96 1jyc s LEU 142 Cb -0.21 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 1jyc s LEU 142 CO 0.02 -0.06 -0.22 -1.10 0.23 0.00 0.00 176.35 175.21 1jyc s GLN 143 N 1.00 1.47 6.07 1.70 -0.21 -0.28 -4.95 119.66 124.47 1jyc s GLN 143 Ca 0.25 -1.52 0.00 0.00 0.02 0.00 0.00 55.36 54.11 1jyc s GLN 143 Cb -0.15 -1.72 0.00 0.00 1.00 0.00 0.00 33.01 32.14 1jyc s GLN 143 CO 0.10 0.37 0.00 0.41 -2.12 0.00 0.00 175.29 174.04 1jyc n GLY 144 N 0.21 2.72 0.28 3.09 0.00 -1.26 -1.77 105.19 108.46 1jyc n GLY 144 Ca -0.12 -0.40 0.06 0.00 0.00 0.00 0.00 46.02 45.56 1jyc n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jyc n ASP 145 N 2.13 0.82 -4.77 1.61 8.00 0.20 -4.92 116.55 119.63 1jyc n ASP 145 Ca 0.00 -1.77 -0.40 0.00 0.71 0.00 0.00 54.79 53.33 1jyc n ASP 145 Cb 0.00 -0.08 0.02 0.00 -0.02 0.00 0.00 41.12 41.04 1jyc n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jyc s ALA 146 N -1.84 3.24 0.13 2.24 0.00 -1.08 -4.44 121.76 120.01 1jyc s ALA 146 Ca 0.21 1.47 -0.16 0.00 0.00 0.00 0.00 51.96 53.48 1jyc s ALA 146 Cb 0.10 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.67 1jyc s ALA 146 CO 0.16 -1.20 0.40 0.95 0.00 0.00 0.00 175.76 176.07 1jyc s THR 147 N -1.20 0.07 0.19 0.00 -4.23 -0.13 -4.78 115.64 105.56 1jyc s THR 147 Ca 0.61 -0.60 0.01 0.00 -1.18 0.00 0.00 61.69 60.53 1jyc s THR 147 Cb -0.44 -1.19 -0.05 0.00 1.34 0.00 0.00 72.50 72.16 1jyc s THR 147 CO 0.57 -0.31 0.06 0.42 -0.54 0.00 0.00 174.62 174.81 1jyc s THR 148 N -3.81 0.44 0.00 3.99 -4.23 -1.26 -0.71 115.64 110.05 1jyc s THR 148 Ca 0.03 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1jyc s THR 148 Cb 0.02 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.56 1jyc s THR 148 CO -0.11 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 1jyc n GLY 149 N -0.28 2.39 3.56 3.99 0.00 -1.02 -4.44 105.19 109.40 1jyc n GLY 149 Ca -0.03 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 1jyc n GLY 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jyc s THR 150 N -1.28 3.29 -1.33 2.61 -4.23 -1.25 -2.50 115.64 110.94 1jyc s THR 150 Ca 0.00 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 1jyc s THR 150 Cb 0.00 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.17 1jyc s THR 150 CO 0.00 -0.62 0.00 0.47 -0.54 0.00 0.00 174.62 173.93 1jyc n ASP 151 N 13.10 -4.48 0.00 3.99 9.92 -1.26 -1.77 116.55 136.05 1jyc n ASP 151 Ca 0.25 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.66 1jyc n ASP 151 Cb 0.52 -3.45 0.00 0.00 -0.64 0.00 0.00 41.12 37.55 1jyc n ASP 151 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jyc n GLY 152 N -1.13 0.47 3.99 0.44 0.00 -1.04 -4.95 105.19 102.97 1jyc n GLY 152 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 1jyc n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jyc s ASN 153 N -2.30 5.46 -0.31 1.61 0.01 -0.73 -0.29 114.94 118.39 1jyc s ASN 153 Ca 0.00 -0.24 -0.02 0.00 -0.71 0.00 0.00 52.86 51.89 1jyc s ASN 153 Cb 0.00 -0.73 0.05 0.00 0.41 0.00 0.00 41.25 40.98 1jyc s ASN 153 CO 0.00 -0.96 0.01 -0.22 -1.51 0.00 0.00 177.10 174.43 1jyc s LEU 154 N -4.55 3.99 -0.41 0.60 2.96 -0.79 -2.43 118.68 118.05 1jyc s LEU 154 Ca 0.56 -1.33 -0.20 0.00 -0.22 0.00 0.00 54.13 52.95 1jyc s LEU 154 Cb -0.10 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.89 1jyc s LEU 154 CO 0.36 -0.28 0.58 -1.61 -1.32 0.00 0.00 176.35 174.08 1jyc s GLU 155 N 1.24 3.38 0.32 1.98 0.41 0.11 -1.44 118.70 124.70 1jyc s GLU 155 Ca -0.04 -0.32 0.15 0.00 -0.41 0.00 0.00 54.97 54.34 1jyc s GLU 155 Cb -0.20 -3.90 0.49 0.00 -1.78 0.00 0.00 34.13 28.74 1jyc s GLU 155 CO -0.01 -0.87 1.66 -0.07 -0.49 0.00 0.00 175.26 175.48 1jyc h LEU 156 N 9.43 0.00 -8.67 1.80 3.38 -1.73 -0.31 115.31 119.20 1jyc h LEU 156 Ca -0.26 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.40 1jyc h LEU 156 Cb 1.11 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.71 1jyc h LEU 156 CO 0.84 0.50 -0.68 0.42 0.09 0.00 0.00 178.44 179.62 1jyc s THR 157 N -3.56 0.87 0.94 0.22 -4.23 -1.26 -2.87 115.64 105.76 1jyc s THR 157 Ca -0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 1jyc s THR 157 Cb 0.12 -2.04 0.16 0.00 1.34 0.00 0.00 72.50 72.08 1jyc s THR 157 CO 0.72 -0.57 1.12 -0.60 -0.54 0.00 0.00 174.62 174.76 1jyc s ARG 158 N -3.85 0.81 0.00 3.99 3.52 -1.26 -4.81 118.95 117.34 1jyc s ARG 158 Ca 0.21 1.38 0.00 0.00 -0.13 0.00 0.00 55.73 57.19 1jyc s ARG 158 Cb 0.05 -1.72 0.00 0.00 -1.56 0.00 0.00 34.95 31.72 1jyc s ARG 158 CO 0.03 -2.72 0.00 0.28 -0.81 0.00 0.00 175.30 172.08 1jyc n VAL 159 N -4.28 0.00 -0.90 7.11 0.31 -1.26 -2.98 118.33 116.32 1jyc n VAL 159 Ca 0.10 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.55 1jyc n VAL 159 Cb 0.53 0.39 -0.04 0.00 -0.91 0.00 0.00 33.84 33.81 1jyc n VAL 159 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1jyc n SER 160 N 0.00 -5.40 -0.01 4.52 3.41 -1.25 -0.91 113.62 113.98 1jyc n SER 160 Ca 0.00 0.51 -0.12 0.00 -0.26 0.00 0.00 58.87 59.01 1jyc n SER 160 Cb 0.00 -2.83 -0.07 0.00 -0.26 0.00 0.00 64.21 61.05 1jyc n SER 160 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1jyc h SER 161 N -0.85 0.12 0.00 4.04 0.02 -2.03 -3.02 113.55 111.84 1jyc h SER 161 Ca -0.02 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1jyc h SER 161 Cb 0.84 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1jyc h SER 161 CO 0.02 0.30 0.00 -0.46 -1.14 0.00 0.00 176.83 175.55 1jyc n ASN 162 N -4.91 0.21 -0.48 3.07 0.23 -1.26 -4.87 115.26 107.25 1jyc n ASN 162 Ca -0.06 -1.81 -0.06 0.00 -0.53 0.00 0.00 54.58 52.12 1jyc n ASN 162 Cb 0.14 -0.10 -0.03 0.00 -2.08 0.00 0.00 39.78 37.71 1jyc n ASN 162 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jyc n GLY 163 N 0.32 0.86 3.67 4.83 0.00 -1.14 -5.03 105.19 108.70 1jyc n GLY 163 Ca 0.00 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 1jyc n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jyc s SER 164 N -2.85 6.23 0.65 1.61 1.04 -0.09 -4.95 113.70 115.34 1jyc s SER 164 Ca 0.00 0.25 -0.18 0.00 0.48 0.00 0.00 55.95 56.50 1jyc s SER 164 Cb 0.00 -2.15 -0.01 0.00 0.10 0.00 0.00 66.02 63.96 1jyc s SER 164 CO 0.00 0.02 1.29 -0.81 0.98 0.00 0.00 173.24 174.72 1jyc n PRO 165 N 4.30 1.10 -4.10 4.02 -0.04 -1.25 -3.93 135.00 135.09 1jyc n PRO 165 Ca -0.13 0.43 -0.29 0.00 -0.04 0.00 0.00 63.50 63.48 1jyc n PRO 165 Cb 0.52 -2.53 -0.07 0.00 -0.04 0.00 0.00 33.50 31.38 1jyc n PRO 165 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1jyc s GLN 166 N -3.37 2.72 0.79 0.54 -1.52 -1.16 -4.87 119.66 112.79 1jyc s GLN 166 Ca 0.83 -0.84 -0.08 0.00 -1.95 0.00 0.00 55.36 53.32 1jyc s GLN 166 Cb -0.38 -2.60 0.12 0.00 -0.22 0.00 0.00 33.01 29.93 1jyc s GLN 166 CO 0.40 0.52 1.11 0.20 -0.25 0.00 0.00 175.29 177.28 1jyc s GLY 167 N -2.62 1.73 -1.35 3.09 0.00 -1.26 -4.43 107.32 102.48 1jyc s GLY 167 Ca 0.28 -1.22 -0.13 0.00 0.00 0.00 0.00 44.72 43.65 1jyc s GLY 167 CO 0.21 -0.66 0.44 1.44 0.00 0.00 0.00 173.10 174.53 1jyc n SER 168 N -3.18 -1.87 -4.29 1.64 7.64 0.24 -4.80 113.62 109.01 1jyc n SER 168 Ca 0.12 -1.16 -0.22 0.00 1.01 0.00 0.00 58.87 58.62 1jyc n SER 168 Cb 0.60 -2.34 -0.12 0.00 -1.01 0.00 0.00 64.21 61.34 1jyc n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1jyc s SER 169 N -3.99 2.48 -0.16 6.43 0.15 -1.05 -4.94 113.70 112.62 1jyc s SER 169 Ca 0.22 -0.76 -0.13 0.00 0.70 0.00 0.00 55.95 55.98 1jyc s SER 169 Cb -0.10 -0.13 0.04 0.00 -1.71 0.00 0.00 66.02 64.12 1jyc s SER 169 CO 0.94 -0.01 0.41 -0.69 1.20 0.00 0.00 173.24 175.09 1jyc s VAL 170 N -1.60 -0.01 0.07 4.45 1.01 -1.26 -1.10 120.40 121.97 1jyc s VAL 170 Ca 0.10 0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.87 1jyc s VAL 170 Cb -0.08 -0.58 0.06 0.00 0.00 0.00 0.00 36.38 35.78 1jyc s VAL 170 CO 0.05 0.01 0.55 -0.83 0.00 0.00 0.00 175.10 174.88 1jyc s GLY 171 N 0.49 -0.48 0.11 4.51 0.00 -1.09 0.62 107.32 111.49 1jyc s GLY 171 Ca -0.02 0.59 -0.05 0.00 0.00 0.00 0.00 44.72 45.24 1jyc s GLY 171 CO -0.03 0.28 0.13 0.50 0.00 0.00 0.00 173.10 173.99 1jyc s ARG 172 N -2.77 0.91 -0.09 2.90 0.52 -0.73 -2.41 118.95 117.28 1jyc s ARG 172 Ca -0.03 -1.21 -0.03 0.00 -0.52 0.00 0.00 55.73 53.93 1jyc s ARG 172 Cb -0.00 0.30 0.05 0.00 0.52 0.00 0.00 34.95 35.81 1jyc s ARG 172 CO -0.04 -0.28 0.17 0.00 0.02 0.00 0.00 175.30 175.17 1jyc s ALA 173 N -3.96 -0.21 0.06 2.13 0.00 -0.01 -1.12 121.76 118.65 1jyc s ALA 173 Ca 0.14 0.61 0.09 0.00 0.00 0.00 0.00 51.96 52.81 1jyc s ALA 173 Cb 0.06 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 1jyc s ALA 173 CO -0.04 -0.52 -0.25 -0.51 0.00 0.00 0.00 175.76 174.44 1jyc s LEU 174 N 2.16 2.19 0.27 0.00 1.02 -0.52 -1.01 118.68 122.79 1jyc s LEU 174 Ca 0.01 -0.61 -0.29 0.00 0.02 0.00 0.00 54.13 53.26 1jyc s LEU 174 Cb -0.12 -1.22 -0.10 0.00 0.02 0.00 0.00 46.19 44.78 1jyc s LEU 174 CO -0.06 0.23 1.32 0.12 0.02 0.00 0.00 176.35 177.98 1jyc s PHE 175 N -0.85 3.14 0.14 0.29 5.36 -0.91 -0.27 117.98 124.88 1jyc s PHE 175 Ca 0.11 1.30 -0.22 0.00 -0.96 0.00 0.00 56.93 57.16 1jyc s PHE 175 Cb -0.10 -3.66 0.00 0.00 -0.34 0.00 0.00 43.02 38.92 1jyc s PHE 175 CO 0.03 -1.95 1.66 -0.92 -1.46 0.00 0.00 175.22 172.58 1jyc h TYR 176 N 4.33 -0.41 -3.82 10.12 3.20 -1.26 -3.44 116.97 125.68 1jyc h TYR 176 Ca -0.47 0.03 -0.50 0.00 3.14 0.00 0.00 58.73 60.92 1jyc h TYR 176 Cb 1.22 0.21 0.02 0.00 1.54 0.00 0.00 36.73 39.72 1jyc h TYR 176 CO 0.59 -0.23 0.48 0.00 -1.64 0.00 0.00 178.16 177.35 1jyc s ALA 177 N -6.14 3.39 0.73 1.82 0.00 -1.26 -5.02 121.76 115.27 1jyc s ALA 177 Ca -0.14 0.90 -0.13 0.00 0.00 0.00 0.00 51.96 52.59 1jyc s ALA 177 Cb 0.11 -3.33 0.04 0.00 0.00 0.00 0.00 23.12 19.94 1jyc s ALA 177 CO 0.68 -0.18 1.11 -2.14 0.00 0.00 0.00 175.76 175.23 1jyc s PRO 178 N -1.53 2.38 -0.03 0.00 0.02 -1.26 -4.85 135.00 129.74 1jyc s PRO 178 Ca 0.45 1.35 0.07 0.00 0.02 0.00 0.00 61.00 62.89 1jyc s PRO 178 Cb -0.32 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.29 1jyc s PRO 178 CO 0.41 -1.57 -0.23 0.08 -0.33 0.00 0.00 177.00 175.35 1jyc s VAL 179 N -2.56 1.86 -0.82 3.83 1.01 0.12 -4.96 120.40 118.88 1jyc s VAL 179 Ca 0.65 -1.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 1jyc s VAL 179 Cb -0.20 -1.55 0.13 0.00 0.00 0.00 0.00 36.38 34.76 1jyc s VAL 179 CO 0.49 0.53 0.97 -2.28 0.00 0.00 0.00 175.10 174.80 1jyc s HIS 180 N -0.46 3.14 -0.76 5.22 2.46 -1.26 -1.16 115.29 122.47 1jyc s HIS 180 Ca 0.06 -1.30 0.26 0.00 0.47 0.00 0.00 55.06 54.55 1jyc s HIS 180 Cb -0.10 -4.16 0.78 0.00 -0.13 0.00 0.00 32.58 28.97 1jyc s HIS 180 CO -0.00 -1.39 1.71 1.51 -2.47 0.00 0.00 174.74 174.09 1jyc n ILE 181 N 5.31 0.45 -3.60 0.89 0.13 -1.04 -4.90 119.36 116.61 1jyc n ILE 181 Ca 0.12 -0.24 -0.05 0.00 -1.10 0.00 0.00 62.75 61.49 1jyc n ILE 181 Cb 0.47 -0.47 -0.02 0.00 -0.84 0.00 0.00 39.64 38.79 1jyc n ILE 181 CO 0.00 0.00 0.00 -1.66 2.80 0.00 0.00 176.55 177.69 1jyc s TRP 182 N -3.09 -0.20 -0.16 9.51 1.48 -1.25 -4.87 118.94 120.36 1jyc s TRP 182 Ca 0.10 0.04 -0.28 0.00 -1.06 0.00 0.00 56.10 54.91 1jyc s TRP 182 Cb 0.14 0.56 0.07 0.00 -1.16 0.00 0.00 33.47 33.08 1jyc s TRP 182 CO 0.61 -0.50 0.72 -2.00 -4.06 0.00 0.00 176.95 171.72 1jyc s GLU 183 N -2.91 0.93 0.13 3.25 2.12 -1.26 -4.80 118.70 116.16 1jyc s GLU 183 Ca 0.09 0.58 -0.20 0.00 0.36 0.00 0.00 54.97 55.80 1jyc s GLU 183 Cb -0.00 0.44 -0.01 0.00 0.26 0.00 0.00 34.13 34.82 1jyc s GLU 183 CO -0.04 -0.22 1.69 0.77 -0.54 0.00 0.00 175.26 176.92 1jyc h SER 184 N 3.87 -0.27 -0.26 -1.70 0.02 -2.02 -2.04 113.55 111.16 1jyc h SER 184 Ca -0.28 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 60.79 1jyc h SER 184 Cb 1.15 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 1jyc h SER 184 CO 0.23 -0.10 0.18 -1.28 -1.14 0.00 0.00 176.83 174.72 1jyc h SER 185 N -0.04 0.15 -1.49 3.07 0.87 -1.97 -3.44 113.55 110.71 1jyc h SER 185 Ca 0.11 -0.00 -0.74 0.00 -1.23 0.00 0.00 61.79 59.93 1jyc h SER 185 Cb 0.20 -0.03 0.03 0.00 -0.44 0.00 0.00 62.40 62.16 1jyc h SER 185 CO -0.24 0.10 0.64 0.00 -0.53 0.00 0.00 176.83 176.81 1jyc n ALA 186 N -2.54 -0.91 -0.02 6.23 0.00 -0.77 -4.23 120.51 118.27 1jyc n ALA 186 Ca 0.02 0.46 -0.18 0.00 0.00 0.00 0.00 53.44 53.74 1jyc n ALA 186 Cb 0.21 -2.10 -0.13 0.00 0.00 0.00 0.00 19.45 17.42 1jyc n ALA 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jyc h VAL 187 N 4.33 1.44 -3.41 0.00 2.07 -0.72 -3.46 116.25 116.50 1jyc h VAL 187 Ca -0.47 -2.40 -0.32 0.00 0.82 0.00 0.00 66.70 64.33 1jyc h VAL 187 Cb 1.34 3.04 -0.36 0.00 -1.52 0.00 0.00 31.29 33.79 1jyc h VAL 187 CO 0.87 0.62 -0.72 -0.69 0.02 0.00 0.00 177.57 177.67 1jyc s VAL 188 N -2.36 -0.09 -0.04 2.57 1.01 -1.24 -4.84 120.40 115.42 1jyc s VAL 188 Ca -0.19 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1jyc s VAL 188 Cb 0.01 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.27 1jyc s VAL 188 CO 0.74 0.13 -0.10 0.00 0.00 0.00 0.00 175.10 175.86 1jyc s ALA 189 N 1.56 0.99 0.17 5.51 0.00 -1.26 -1.90 121.76 126.83 1jyc s ALA 189 Ca -0.03 -0.36 -0.19 0.00 0.00 0.00 0.00 51.96 51.38 1jyc s ALA 189 Cb -0.12 -0.39 0.04 0.00 0.00 0.00 0.00 23.12 22.65 1jyc s ALA 189 CO -0.03 0.14 0.51 -1.54 0.00 0.00 0.00 175.76 174.84 1jyc s SER 190 N 0.31 -0.33 0.02 0.00 1.04 -0.62 0.49 113.70 114.60 1jyc s SER 190 Ca -0.06 -0.31 -0.20 0.00 0.48 0.00 0.00 55.95 55.86 1jyc s SER 190 Cb -0.11 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.61 1jyc s SER 190 CO 0.01 -0.98 0.46 0.72 0.98 0.00 0.00 173.24 174.43 1jyc s PHE 191 N -3.82 -0.35 -0.08 5.02 -0.12 -0.50 -1.01 117.98 117.12 1jyc s PHE 191 Ca 0.05 0.43 -0.06 0.00 -0.05 0.00 0.00 56.93 57.30 1jyc s PHE 191 Cb -0.00 0.25 0.02 0.00 -0.63 0.00 0.00 43.02 42.66 1jyc s PHE 191 CO -0.08 -0.56 0.20 -1.83 -0.05 0.00 0.00 175.22 172.91 1jyc s GLU 192 N -2.04 0.22 0.05 1.99 -1.05 -0.73 -1.63 118.70 115.51 1jyc s GLU 192 Ca -0.08 0.32 0.05 0.00 -0.15 0.00 0.00 54.97 55.12 1jyc s GLU 192 Cb -0.02 0.06 -0.03 0.00 -0.44 0.00 0.00 34.13 33.71 1jyc s GLU 192 CO 0.01 -0.06 -0.15 0.00 0.95 0.00 0.00 175.26 176.01 1jyc s ALA 193 N 0.36 1.23 -0.01 -0.84 0.00 0.33 -1.87 121.76 120.97 1jyc s ALA 193 Ca -0.02 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 1jyc s ALA 193 Cb -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1jyc s ALA 193 CO -0.02 0.22 0.01 0.99 0.00 0.00 0.00 175.76 176.97 1jyc s THR 194 N -1.01 0.00 -0.10 0.00 2.01 -0.40 -0.79 115.64 115.34 1jyc s THR 194 Ca 0.01 -0.02 -0.18 0.00 0.31 0.00 0.00 61.69 61.81 1jyc s THR 194 Cb -0.09 -0.04 0.04 0.00 0.01 0.00 0.00 72.50 72.43 1jyc s THR 194 CO 0.02 -0.01 0.45 0.72 -0.69 0.00 0.00 174.62 175.10 1jyc s PHE 195 N -0.03 -0.42 -0.10 4.92 -0.71 -0.88 -0.31 117.98 120.46 1jyc s PHE 195 Ca -0.00 0.90 -0.03 0.00 -1.04 0.00 0.00 56.93 56.75 1jyc s PHE 195 Cb -0.00 0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.96 1jyc s PHE 195 CO 0.00 -0.35 0.03 0.95 -1.34 0.00 0.00 175.22 174.51 1jyc s THR 196 N -0.51 4.54 0.22 -4.49 -4.23 -0.89 -1.53 115.64 108.75 1jyc s THR 196 Ca -0.06 -0.16 0.04 0.00 -1.18 0.00 0.00 61.69 60.33 1jyc s THR 196 Cb -0.03 -2.93 -0.05 0.00 1.34 0.00 0.00 72.50 70.82 1jyc s THR 196 CO 0.03 0.60 -0.02 0.72 -0.54 0.00 0.00 174.62 175.41 1jyc s PHE 197 N -0.79 1.54 -0.29 3.99 -0.12 -0.72 -1.22 117.98 120.38 1jyc s PHE 197 Ca 0.12 -0.89 -0.04 0.00 -0.05 0.00 0.00 56.93 56.07 1jyc s PHE 197 Cb -0.12 -0.88 0.10 0.00 -0.63 0.00 0.00 43.02 41.49 1jyc s PHE 197 CO 0.02 -0.01 0.13 -1.17 -0.05 0.00 0.00 175.22 174.15 1jyc s LEU 198 N -3.30 0.51 -0.43 -1.99 2.96 -0.36 -0.77 118.68 115.31 1jyc s LEU 198 Ca 0.27 -1.25 -0.15 0.00 -0.22 0.00 0.00 54.13 52.78 1jyc s LEU 198 Cb 0.05 -0.32 0.03 0.00 0.50 0.00 0.00 46.19 46.45 1jyc s LEU 198 CO 0.08 -0.43 0.34 -0.63 -1.32 0.00 0.00 176.35 174.39 1jyc s ILE 199 N 2.11 5.23 -0.05 6.68 1.01 -1.26 -3.04 121.20 131.88 1jyc s ILE 199 Ca 0.09 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 60.09 1jyc s ILE 199 Cb -0.16 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 1jyc s ILE 199 CO -0.36 -0.39 -0.22 -0.75 0.00 0.00 0.00 174.94 173.22 1jyc s LYS 200 N 1.75 2.46 -0.26 2.79 2.20 -1.22 -2.16 119.74 125.30 1jyc s LYS 200 Ca 0.06 -0.86 -0.01 0.00 -0.36 0.00 0.00 55.97 54.81 1jyc s LYS 200 Cb -0.20 -2.20 0.08 0.00 -1.51 0.00 0.00 37.83 34.00 1jyc s LYS 200 CO 0.10 0.48 0.04 0.45 -0.36 0.00 0.00 175.35 176.05 1jyc s SER 201 N -0.39 3.70 0.09 1.43 0.15 -1.26 -0.59 113.70 116.83 1jyc s SER 201 Ca 0.03 -1.30 -0.22 0.00 0.70 0.00 0.00 55.95 55.16 1jyc s SER 201 Cb -0.12 -0.91 -0.12 0.00 -1.71 0.00 0.00 66.02 63.16 1jyc s SER 201 CO 0.02 -0.33 1.67 1.55 1.20 0.00 0.00 173.24 177.34 1jyc h PRO 202 N 8.07 0.14 0.00 5.44 0.13 -1.96 -0.50 132.00 143.33 1jyc h PRO 202 Ca -0.15 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1jyc h PRO 202 Cb 1.06 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1jyc h PRO 202 CO 0.42 0.19 0.00 -0.44 -0.23 0.00 0.00 178.00 177.94 1jyc h ASP 203 N 0.06 0.00 -4.63 1.44 3.32 -1.95 -3.46 116.42 111.20 1jyc h ASP 203 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1jyc h ASP 203 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1jyc h ASP 203 CO -0.01 0.00 -0.08 -0.24 -1.72 0.00 0.00 179.24 177.19 1jyc n SER 204 N -2.97 -6.05 0.00 6.45 2.88 -0.19 -5.02 113.62 108.72 1jyc n SER 204 Ca -0.02 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1jyc n SER 204 Cb 0.13 -4.01 0.00 0.00 -0.75 0.00 0.00 64.21 59.58 1jyc n SER 204 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1jyc n HIS 205 N -1.25 0.00 -1.65 0.66 -0.00 -1.26 -5.10 115.22 106.63 1jyc n HIS 205 Ca 0.02 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.37 1jyc n HIS 205 Cb 0.46 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.51 1jyc n HIS 205 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1jyc n PRO 206 N 0.00 0.94 0.00 1.57 -0.02 -1.26 -4.21 135.00 132.02 1jyc n PRO 206 Ca 0.00 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1jyc n PRO 206 Cb 0.00 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 1jyc n PRO 206 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jyc n ALA 207 N -1.88 0.00 0.00 3.55 0.00 -1.26 -4.69 120.51 116.23 1jyc n ALA 207 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1jyc n ALA 207 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1jyc n ALA 207 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1jyc n ASP 208 N 0.00 2.27 0.00 0.00 9.92 -0.24 -2.65 116.55 125.86 1jyc n ASP 208 Ca 0.00 -0.14 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 1jyc n ASP 208 Cb 0.00 0.73 0.00 0.00 -0.64 0.00 0.00 41.12 41.21 1jyc n ASP 208 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jyc n GLY 209 N 1.42 2.84 3.37 0.44 0.00 -1.24 -3.00 105.19 109.01 1jyc n GLY 209 Ca 0.00 -1.86 -0.22 0.00 0.00 0.00 0.00 46.02 43.94 1jyc n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jyc s ILE 210 N -1.90 1.98 -0.07 -0.61 1.01 -1.00 -2.68 121.20 117.94 1jyc s ILE 210 Ca 0.00 -2.08 -0.16 0.00 0.00 0.00 0.00 60.65 58.41 1jyc s ILE 210 Cb 0.00 -2.00 0.03 0.00 0.01 0.00 0.00 42.46 40.50 1jyc s ILE 210 CO 0.00 -0.37 0.37 0.00 0.00 0.00 0.00 174.94 174.94 1jyc s ALA 211 N -2.29 -0.93 -0.19 9.38 0.00 0.79 0.39 121.76 128.92 1jyc s ALA 211 Ca 0.20 0.69 -0.08 0.00 0.00 0.00 0.00 51.96 52.77 1jyc s ALA 211 Cb -0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1jyc s ALA 211 CO 0.08 -0.24 0.08 0.12 0.00 0.00 0.00 175.76 175.81 1jyc s PHE 212 N -0.75 3.30 0.13 0.00 5.36 -0.44 -1.37 117.98 124.21 1jyc s PHE 212 Ca -0.08 0.16 0.00 0.00 -0.96 0.00 0.00 56.93 56.05 1jyc s PHE 212 Cb -0.04 -2.10 -0.04 0.00 -0.34 0.00 0.00 43.02 40.50 1jyc s PHE 212 CO 0.03 0.21 0.02 -0.59 -1.46 0.00 0.00 175.22 173.43 1jyc s PHE 213 N 0.33 0.96 -0.01 10.12 -0.71 0.03 -1.11 117.98 127.57 1jyc s PHE 213 Ca 0.05 -1.11 0.04 0.00 -1.04 0.00 0.00 56.93 54.87 1jyc s PHE 213 Cb -0.12 -0.55 -0.01 0.00 -1.21 0.00 0.00 43.02 41.13 1jyc s PHE 213 CO -0.00 -0.36 -0.14 0.42 -1.34 0.00 0.00 175.22 173.80 1jyc s ILE 214 N -3.85 1.08 0.38 -4.49 1.01 0.25 -1.29 121.20 114.29 1jyc s ILE 214 Ca 0.21 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 1jyc s ILE 214 Cb 0.07 -0.90 0.04 0.00 0.01 0.00 0.00 42.46 41.68 1jyc s ILE 214 CO 0.01 0.31 0.72 -0.94 0.00 0.00 0.00 174.94 175.03 1jyc s SER 215 N -0.31 0.24 0.50 3.58 1.04 -0.66 -1.96 113.70 116.14 1jyc s SER 215 Ca 0.05 -1.24 -0.22 0.00 0.48 0.00 0.00 55.95 55.02 1jyc s SER 215 Cb -0.05 0.81 -0.06 0.00 0.10 0.00 0.00 66.02 66.82 1jyc s SER 215 CO -0.00 -1.61 1.22 0.54 0.98 0.00 0.00 173.24 174.36 1jyc s ASN 216 N -3.11 5.79 0.43 7.02 4.22 -1.24 -0.49 114.94 127.55 1jyc s ASN 216 Ca 0.19 2.42 0.27 0.00 -2.14 0.00 0.00 52.86 53.60 1jyc s ASN 216 Cb -0.04 -2.61 1.32 0.00 1.28 0.00 0.00 41.25 41.20 1jyc s ASN 216 CO 0.14 -1.19 1.68 0.40 -2.04 0.00 0.00 177.10 176.09 1jyc h ILE 217 N 1.59 0.27 -0.56 0.54 2.04 -1.85 -1.91 117.51 117.63 1jyc h ILE 217 Ca -0.50 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1jyc h ILE 217 Cb 1.27 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1jyc h ILE 217 CO 0.59 0.03 0.00 -0.90 0.00 0.00 0.00 178.15 177.87 1jyc n ASP 218 N -4.63 4.67 -4.70 1.72 5.75 -1.26 -4.89 116.55 113.20 1jyc n ASP 218 Ca 0.33 -2.55 -0.39 0.00 -0.01 0.00 0.00 54.79 52.16 1jyc n ASP 218 Cb 1.24 -0.59 0.03 0.00 -1.03 0.00 0.00 41.12 40.77 1jyc n ASP 218 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1jyc n SER 219 N 0.85 2.27 -3.97 -1.12 2.88 -0.72 -5.03 113.62 108.78 1jyc n SER 219 Ca 0.24 0.99 -0.10 0.00 -1.33 0.00 0.00 58.87 58.67 1jyc n SER 219 Cb 0.92 -1.51 -0.07 0.00 -0.75 0.00 0.00 64.21 62.79 1jyc n SER 219 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1jyc s SER 220 N -0.84 0.04 0.17 -3.46 1.04 -1.26 -5.09 113.70 104.29 1jyc s SER 220 Ca 0.69 -0.88 -0.32 0.00 0.48 0.00 0.00 55.95 55.92 1jyc s SER 220 Cb -0.45 0.44 -0.11 0.00 0.10 0.00 0.00 66.02 66.00 1jyc s SER 220 CO 0.52 -0.90 1.72 -0.63 0.98 0.00 0.00 173.24 174.93 1jyc s ILE 221 N -3.97 2.34 0.64 -1.02 1.01 -1.26 -4.99 121.20 113.96 1jyc s ILE 221 Ca 0.18 0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.83 1jyc s ILE 221 Cb 0.03 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 1jyc s ILE 221 CO 0.00 0.01 1.05 -2.84 0.00 0.00 0.00 174.94 173.16 1jyc s PRO 222 N 1.70 3.17 0.42 2.79 0.02 -1.26 -4.99 135.00 136.86 1jyc s PRO 222 Ca 0.76 1.04 -0.26 0.00 0.02 0.00 0.00 61.00 62.56 1jyc s PRO 222 Cb -0.47 -2.02 -0.09 0.00 0.02 0.00 0.00 34.50 31.94 1jyc s PRO 222 CO 0.33 -0.92 1.39 -1.12 -0.33 0.00 0.00 177.00 176.35 1jyc s SER 223 N -3.37 6.12 -1.10 2.53 0.01 -1.26 -2.80 113.70 113.82 1jyc s SER 223 Ca 0.60 2.84 -0.09 0.00 1.31 0.00 0.00 55.95 60.61 1jyc s SER 223 Cb -0.14 -2.65 0.08 0.00 0.21 0.00 0.00 66.02 63.51 1jyc s SER 223 CO 0.46 -1.00 0.36 0.61 0.41 0.00 0.00 173.24 174.08 1jyc n GLY 224 N 0.60 -0.48 1.46 3.44 0.00 -1.26 -4.80 105.19 104.15 1jyc n GLY 224 Ca 0.04 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 1jyc n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jyc n SER 225 N -2.12 3.76 -4.08 1.61 3.41 -1.12 -4.90 113.62 110.19 1jyc n SER 225 Ca -0.00 -2.68 -0.30 0.00 -0.26 0.00 0.00 58.87 55.63 1jyc n SER 225 Cb 0.53 -0.64 0.19 0.00 -0.26 0.00 0.00 64.21 64.03 1jyc n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1jyc s THR 226 N -2.05 2.00 0.00 6.66 -4.23 -1.26 0.24 115.64 117.00 1jyc s THR 226 Ca 0.33 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 1jyc s THR 226 Cb 0.26 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 71.12 1jyc s THR 226 CO 0.09 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 1jyc n GLY 227 N -3.78 2.72 0.34 3.99 0.00 -0.84 -3.24 105.19 104.38 1jyc n GLY 227 Ca 0.16 -0.32 0.18 0.00 0.00 0.00 0.00 46.02 46.03 1jyc n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1jyc h ARG 228 N 0.00 0.00 -0.00 1.61 0.11 -1.90 -2.09 114.38 112.11 1jyc h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1jyc h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1jyc h ARG 228 CO 0.00 0.00 -0.07 1.28 0.10 0.00 0.00 179.97 181.28 1jyc n LEU 229 N -3.10 0.38 -1.69 0.08 4.77 -1.20 -4.93 117.00 111.31 1jyc n LEU 229 Ca -0.01 0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 1jyc n LEU 229 Cb 0.33 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1jyc n LEU 229 CO 0.18 0.07 -0.13 0.18 -1.33 0.00 0.00 177.39 176.36 1jyc n LEU 230 N -0.95 -0.96 -1.92 2.23 4.77 -0.79 -1.47 117.00 117.90 1jyc n LEU 230 Ca 0.16 0.27 -0.17 0.00 -0.03 0.00 0.00 56.01 56.24 1jyc n LEU 230 Cb 0.25 -1.96 -0.01 0.00 -2.33 0.00 0.00 43.42 39.38 1jyc n LEU 230 CO 0.22 -0.48 -0.20 0.61 -1.33 0.00 0.00 177.39 176.22 1jyc n GLY 231 N -0.40 -0.31 1.13 -0.72 0.00 0.14 -4.13 105.19 100.90 1jyc n GLY 231 Ca -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1jyc n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jyc n LEU 232 N -2.44 0.21 -4.75 0.99 4.77 -0.54 -4.64 117.00 110.60 1jyc n LEU 232 Ca -0.19 0.04 -0.33 0.00 -0.03 0.00 0.00 56.01 55.50 1jyc n LEU 232 Cb 0.65 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.61 1jyc n LEU 232 CO 0.24 -0.21 -0.27 -0.36 -1.33 0.00 0.00 177.39 175.46 1jyc s PHE 233 N -2.00 3.24 0.19 -1.77 0.08 -1.22 -4.70 117.98 111.80 1jyc s PHE 233 Ca 0.00 0.19 0.17 0.00 0.12 0.00 0.00 56.93 57.41 1jyc s PHE 233 Cb 0.00 -1.74 0.62 0.00 -0.57 0.00 0.00 43.02 41.33 1jyc s PHE 233 CO 0.00 0.53 1.71 -1.00 -0.10 0.00 0.00 175.22 176.36 1jyc h PRO 234 N 4.31 0.00 0.00 0.24 0.13 -1.93 -3.43 132.00 131.33 1jyc h PRO 234 Ca -0.50 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.32 1jyc h PRO 234 Cb 1.18 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 1jyc h PRO 234 CO 0.60 0.42 -0.25 -0.40 -0.23 0.00 0.00 178.00 178.14 1jyc n ASP 235 N -3.59 -0.88 -1.44 1.44 5.68 -1.26 -4.88 116.55 111.62 1jyc n ASP 235 Ca -0.00 -2.72 -0.01 0.00 -0.50 0.00 0.00 54.79 51.56 1jyc n ASP 235 Cb 0.53 1.79 0.26 0.00 -1.14 0.00 0.00 41.12 42.56 1jyc n ASP 235 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jyc n ALA 236 N -1.07 4.01 1.65 2.12 0.00 -1.26 -4.72 120.51 121.24 1jyc n ALA 236 Ca -0.11 -2.54 0.13 0.00 0.00 0.00 0.00 53.44 50.93 1jyc n ALA 236 Cb 0.50 -0.95 0.79 0.00 0.00 0.00 0.00 19.45 19.78 1jyc n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59