#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 2.45 -0.27 0.00 1.01 -1.26 -5.02 116.67 113.58 1jyc s ASP 2 Ca 0.00 1.70 0.02 0.00 0.71 0.00 0.00 52.55 54.98 1jyc s ASP 2 Cb 0.00 -2.33 0.06 0.00 1.01 0.00 0.00 42.92 41.65 1jyc s ASP 2 CO 0.00 -3.32 -0.08 -0.89 0.21 0.00 0.00 175.17 171.09 1jyc s THR 3 N -2.69 2.40 0.05 -1.27 2.01 -1.26 -5.02 115.64 109.86 1jyc s THR 3 Ca 0.66 -1.54 0.05 0.00 0.31 0.00 0.00 61.69 61.17 1jyc s THR 3 Cb -0.22 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 1jyc s THR 3 CO 0.60 -0.03 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.78 1jyc s ILE 4 N 1.15 3.49 -0.04 1.82 -1.09 -1.26 -3.50 121.20 121.77 1jyc s ILE 4 Ca -0.08 -0.99 -0.02 0.00 -2.23 0.00 0.00 60.65 57.33 1jyc s ILE 4 Cb -0.20 -2.56 0.03 0.00 -1.58 0.00 0.00 42.46 38.15 1jyc s ILE 4 CO -0.04 0.28 0.05 -0.69 -1.23 0.00 0.00 174.94 173.31 1jyc s VAL 5 N -1.08 -0.06 0.05 2.92 1.01 -0.87 -0.83 120.40 121.54 1jyc s VAL 5 Ca 0.19 0.38 -0.07 0.00 0.00 0.00 0.00 61.98 62.48 1jyc s VAL 5 Cb -0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 1jyc s VAL 5 CO 0.10 0.18 0.14 0.00 0.00 0.00 0.00 175.10 175.52 1jyc s ALA 6 N 2.06 -0.14 -0.28 5.51 0.00 -0.34 -0.80 121.76 127.77 1jyc s ALA 6 Ca 0.04 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.47 1jyc s ALA 6 Cb -0.12 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.39 1jyc s ALA 6 CO -0.03 -0.39 -0.07 0.08 0.00 0.00 0.00 175.76 175.35 1jyc s VAL 7 N -3.06 2.33 0.05 0.00 1.01 0.05 -0.19 120.40 120.58 1jyc s VAL 7 Ca -0.01 -1.67 -0.08 0.00 0.00 0.00 0.00 61.98 60.22 1jyc s VAL 7 Cb 0.01 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1jyc s VAL 7 CO -0.07 -0.10 0.34 -1.83 0.00 0.00 0.00 175.10 173.44 1jyc s GLU 8 N 1.11 3.67 -0.86 2.72 -1.05 -0.11 -1.40 118.70 122.78 1jyc s GLU 8 Ca -0.06 0.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.80 1jyc s GLU 8 Cb -0.20 -3.03 0.21 0.00 -0.44 0.00 0.00 34.13 30.67 1jyc s GLU 8 CO -0.05 0.60 0.72 -0.51 0.95 0.00 0.00 175.26 176.97 1jyc s LEU 9 N -1.87 5.38 -0.19 1.83 1.02 0.24 -1.71 118.68 123.38 1jyc s LEU 9 Ca 0.31 -3.79 -0.29 0.00 0.02 0.00 0.00 54.13 50.38 1jyc s LEU 9 Cb -0.14 -1.84 -0.02 0.00 0.02 0.00 0.00 46.19 44.22 1jyc s LEU 9 CO 0.18 -0.15 1.36 -0.62 0.02 0.00 0.00 176.35 177.13 1jyc s ASP 10 N -0.50 6.77 0.08 2.29 -1.08 -0.57 -2.25 116.67 121.42 1jyc s ASP 10 Ca 0.27 1.62 0.22 0.00 -0.52 0.00 0.00 52.55 54.15 1jyc s ASP 10 Cb -0.06 -2.54 -0.10 0.00 -1.46 0.00 0.00 42.92 38.76 1jyc s ASP 10 CO -0.14 -0.92 0.85 0.35 0.52 0.00 0.00 175.17 175.83 1jyc n THR 11 N 5.73 0.27 -4.99 1.71 -2.24 -0.96 -1.78 114.28 112.02 1jyc n THR 11 Ca 0.15 -0.43 -0.28 0.00 -2.27 0.00 0.00 64.05 61.22 1jyc n THR 11 Cb 0.45 -0.04 -0.16 0.00 -2.10 0.00 0.00 70.33 68.48 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 -3.36 2.03 -0.67 4.78 6.14 -1.25 -4.61 117.35 120.41 1jyc s TYR 12 Ca -0.02 -0.65 -0.24 0.00 0.64 0.00 0.00 57.07 56.80 1jyc s TYR 12 Cb 0.13 -1.36 0.05 0.00 0.42 0.00 0.00 41.96 41.19 1jyc s TYR 12 CO 0.83 -0.23 1.07 -1.25 0.64 0.00 0.00 175.55 176.61 1jyc s PRO 13 N 0.10 3.18 -1.14 4.97 0.04 -1.26 -4.94 135.00 135.94 1jyc s PRO 13 Ca -0.07 -0.53 -0.09 0.00 0.04 0.00 0.00 61.00 60.34 1jyc s PRO 13 Cb -0.14 -4.18 0.26 0.00 0.04 0.00 0.00 34.50 30.47 1jyc s PRO 13 CO 0.04 -1.88 1.26 0.09 0.04 0.00 0.00 177.00 176.55 1jyc n ASN 14 N 8.25 5.56 0.13 6.66 4.13 -1.26 -4.79 115.26 133.94 1jyc n ASN 14 Ca -0.01 -3.08 0.09 0.00 1.68 0.00 0.00 54.58 53.27 1jyc n ASN 14 Cb 0.47 -1.41 0.48 0.00 -1.54 0.00 0.00 39.78 37.78 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 2.95 1.20 1.49 3.41 -2.24 -1.26 -1.08 114.28 118.75 1jyc n THR 15 Ca 0.28 0.69 0.10 0.00 -2.27 0.00 0.00 64.05 62.84 1jyc n THR 15 Cb 0.39 -1.68 0.57 0.00 -2.10 0.00 0.00 70.33 67.51 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 -2.12 0.00 -0.86 3.42 5.68 -1.26 -3.39 116.55 118.01 1jyc n ASP 16 Ca -0.01 -0.89 -0.01 0.00 -0.50 0.00 0.00 54.79 53.39 1jyc n ASP 16 Cb 0.03 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.00 1jyc n ASP 16 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1jyc n ILE 17 N -0.91 0.00 0.00 2.12 -5.35 -0.24 -5.04 119.36 109.94 1jyc n ILE 17 Ca 0.15 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1jyc n ILE 17 Cb 0.07 0.49 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 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 0.12 1.89 3.57 3.28 0.00 -1.21 -4.71 105.19 108.13 1jyc n GLY 18 Ca -0.05 -0.50 -0.46 0.00 0.00 0.00 0.00 46.02 45.01 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 0.09 1.05 -4.71 1.61 8.00 -1.14 -4.92 116.55 116.53 1jyc n ASP 19 Ca 0.00 1.16 -0.29 0.00 0.71 0.00 0.00 54.79 56.37 1jyc n ASP 19 Cb 0.00 -1.23 0.15 0.00 -0.02 0.00 0.00 41.12 40.02 1jyc n ASP 19 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1jyc s PRO 20 N -1.18 0.85 -0.18 -0.24 0.02 -1.26 -4.06 135.00 128.94 1jyc s PRO 20 Ca 0.63 0.56 -0.06 0.00 0.02 0.00 0.00 61.00 62.15 1jyc s PRO 20 Cb -0.76 -1.78 -0.22 0.00 0.02 0.00 0.00 34.50 31.76 1jyc s PRO 20 CO 0.57 -2.46 3.48 0.43 -0.33 0.00 0.00 177.00 178.69 1jyc n SER 21 N -3.99 5.66 -3.62 2.53 7.64 -1.26 -4.68 113.62 115.89 1jyc n SER 21 Ca 0.06 -2.57 -0.02 0.00 1.01 0.00 0.00 58.87 57.35 1jyc n SER 21 Cb 0.57 -1.41 -0.02 0.00 -1.01 0.00 0.00 64.21 62.34 1jyc n SER 21 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1jyc s TYR 22 N 0.78 -0.04 0.39 1.43 -0.85 -1.26 -5.06 117.35 112.74 1jyc s TYR 22 Ca 0.66 0.02 -0.27 0.00 -0.52 0.00 0.00 57.07 56.96 1jyc s TYR 22 Cb 0.32 0.51 -0.11 0.00 0.38 0.00 0.00 41.96 43.06 1jyc s TYR 22 CO -0.03 -0.08 1.41 -2.30 -1.52 0.00 0.00 175.55 173.04 1jyc n PRO 23 N -0.12 2.41 -4.08 -3.49 -0.02 -1.26 -4.66 135.00 123.78 1jyc n PRO 23 Ca 0.02 0.85 -0.10 0.00 -2.02 0.00 0.00 63.50 62.24 1jyc n PRO 23 Cb 0.58 -2.56 -0.08 0.00 -0.02 0.00 0.00 33.50 31.42 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 -1.13 0.71 0.04 6.00 -3.43 -0.73 -2.03 115.29 114.71 1jyc s HIS 24 Ca 0.56 -1.02 0.04 0.00 -0.80 0.00 0.00 55.06 53.84 1jyc s HIS 24 Cb -0.49 -0.19 -0.04 0.00 -1.43 0.00 0.00 32.58 30.43 1jyc s HIS 24 CO 0.62 -0.78 -0.06 0.42 -2.00 0.00 0.00 174.74 172.94 1jyc s ILE 25 N -4.07 3.70 0.16 -5.38 1.01 -0.20 -1.50 121.20 114.92 1jyc s ILE 25 Ca 0.28 -0.90 -0.21 0.00 0.00 0.00 0.00 60.65 59.83 1jyc s ILE 25 Cb 0.04 -2.66 0.06 0.00 0.01 0.00 0.00 42.46 39.90 1jyc s ILE 25 CO 0.08 0.29 0.55 -0.83 0.00 0.00 0.00 174.94 175.03 1jyc s GLY 26 N -1.74 -0.47 -0.23 6.18 0.00 -0.69 -1.32 107.32 109.04 1jyc s GLY 26 Ca 0.20 0.27 -0.04 0.00 0.00 0.00 0.00 44.72 45.14 1jyc s GLY 26 CO 0.11 0.00 -0.04 -0.42 0.00 0.00 0.00 173.10 172.75 1jyc s ILE 27 N -3.78 3.37 -0.13 0.90 1.01 -0.69 -0.93 121.20 120.95 1jyc s ILE 27 Ca 0.03 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 60.11 1jyc s ILE 27 Cb -0.01 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 1jyc s ILE 27 CO -0.11 0.39 -0.05 -1.81 0.00 0.00 0.00 174.94 173.35 1jyc s ASP 28 N 1.47 4.69 -0.38 3.58 1.01 0.73 -0.77 116.67 127.00 1jyc s ASP 28 Ca 0.05 -0.12 0.03 0.00 0.71 0.00 0.00 52.55 53.22 1jyc s ASP 28 Cb -0.15 -1.62 0.11 0.00 1.01 0.00 0.00 42.92 42.28 1jyc s ASP 28 CO -0.03 0.22 0.13 -0.63 0.21 0.00 0.00 175.17 175.07 1jyc s ILE 29 N 0.05 1.86 -0.59 0.77 -1.09 -1.26 -1.20 121.20 119.74 1jyc s ILE 29 Ca -0.01 -2.32 0.00 0.00 -2.23 0.00 0.00 60.65 56.09 1jyc s ILE 29 Cb -0.14 -2.36 0.00 0.00 -1.58 0.00 0.00 42.46 38.39 1jyc s ILE 29 CO 0.03 -0.70 0.00 0.29 -1.23 0.00 0.00 174.94 173.33 1jyc n LYS 30 N 4.09 -1.61 -3.67 2.79 5.02 -0.01 -4.93 118.16 119.84 1jyc n LYS 30 Ca 0.03 0.65 -0.15 0.00 -2.02 0.00 0.00 58.31 56.83 1jyc n LYS 30 Cb 0.39 -4.96 -0.08 0.00 -0.02 0.00 0.00 35.03 30.36 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 -2.24 -0.47 0.26 4.39 0.15 -1.26 -4.95 113.70 109.57 1jyc s SER 31 Ca 0.00 0.70 0.24 0.00 0.70 0.00 0.00 55.95 57.59 1jyc s SER 31 Cb 0.00 0.72 0.97 0.00 -1.71 0.00 0.00 66.02 66.00 1jyc s SER 31 CO 0.00 -0.36 1.72 0.55 1.20 0.00 0.00 173.24 176.35 1jyc n VAL 32 N 1.90 0.79 -2.78 4.45 3.14 -1.26 -4.36 118.33 120.21 1jyc n VAL 32 Ca -0.17 0.16 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 1jyc n VAL 32 Cb 0.56 -1.09 -0.03 0.00 -1.06 0.00 0.00 33.84 32.22 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 3.35 0.27 1.45 0.52 -1.26 -4.98 118.95 115.00 1jyc s ARG 33 Ca 0.05 -1.07 -0.27 0.00 -0.52 0.00 0.00 55.73 53.91 1jyc s ARG 33 Cb 0.10 -4.63 -0.15 0.00 0.52 0.00 0.00 34.95 30.79 1jyc s ARG 33 CO 0.42 -1.92 0.74 0.43 0.02 0.00 0.00 175.30 174.98 1jyc n SER 34 N 7.82 -0.08 0.13 0.23 7.64 -1.26 -4.78 113.62 123.32 1jyc n SER 34 Ca 0.12 1.12 0.01 0.00 1.01 0.00 0.00 58.87 61.13 1jyc n SER 34 Cb 0.48 -1.12 0.04 0.00 -1.01 0.00 0.00 64.21 62.60 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 1.41 0.00 -2.39 1.43 1.79 -1.30 -3.46 116.57 114.05 1jyc h LYS 35 Ca -0.35 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.04 1jyc h LYS 35 Cb 1.39 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.83 1jyc h LYS 35 CO 0.58 0.58 -0.03 0.21 -1.08 0.00 0.00 179.45 179.71 1jyc s LYS 36 N -3.00 0.76 0.19 3.15 2.20 -1.24 -5.04 119.74 116.75 1jyc s LYS 36 Ca 0.03 0.50 -0.01 0.00 -0.36 0.00 0.00 55.97 56.13 1jyc s LYS 36 Cb 0.08 0.36 -0.04 0.00 -1.51 0.00 0.00 37.83 36.72 1jyc s LYS 36 CO 0.75 -0.16 0.10 0.95 -0.36 0.00 0.00 175.35 176.64 1jyc s THR 37 N -0.33 0.12 -0.06 3.43 -4.23 -1.26 -1.71 115.64 111.59 1jyc s THR 37 Ca -0.05 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.36 1jyc s THR 37 Cb -0.03 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.45 1jyc s THR 37 CO 0.04 -0.14 0.29 0.00 -0.54 0.00 0.00 174.62 174.27 1jyc s ALA 38 N -4.06 -0.73 0.48 3.99 0.00 -0.44 -4.98 121.76 116.02 1jyc s ALA 38 Ca 0.35 0.56 -0.23 0.00 0.00 0.00 0.00 51.96 52.63 1jyc s ALA 38 Cb 0.07 -0.22 -0.07 0.00 0.00 0.00 0.00 23.12 22.91 1jyc s ALA 38 CO 0.09 -0.20 1.29 0.21 0.00 0.00 0.00 175.76 177.15 1jyc s LYS 39 N -0.57 3.57 -0.04 0.00 2.20 -1.26 -1.03 119.74 122.61 1jyc s LYS 39 Ca -0.07 2.08 -0.01 0.00 -0.36 0.00 0.00 55.97 57.62 1jyc s LYS 39 Cb -0.04 -2.45 0.03 0.00 -1.51 0.00 0.00 37.83 33.86 1jyc s LYS 39 CO 0.02 -0.80 0.02 -0.46 -0.36 0.00 0.00 175.35 173.77 1jyc s TRP 40 N -1.36 0.33 -1.25 4.03 -0.00 -0.86 -4.72 118.94 115.11 1jyc s TRP 40 Ca 0.65 0.03 -0.13 0.00 -0.00 0.00 0.00 56.10 56.65 1jyc s TRP 40 Cb -0.36 -0.53 0.16 0.00 -0.00 0.00 0.00 33.47 32.73 1jyc s TRP 40 CO 0.44 -0.20 1.61 0.09 -0.00 0.00 0.00 176.95 178.90 1jyc n ASN 41 N 4.73 5.12 -4.69 5.86 5.03 -1.26 -4.47 115.26 125.57 1jyc n ASN 41 Ca -0.15 -3.00 -0.40 0.00 0.87 0.00 0.00 54.58 51.90 1jyc n ASN 41 Cb 0.50 -1.57 0.02 0.00 -1.02 0.00 0.00 39.78 37.72 1jyc n ASN 41 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 1jyc n MET 42 N 5.44 1.68 -3.81 3.52 0.00 -1.26 -4.98 117.12 117.71 1jyc n MET 42 Ca 0.39 0.61 -0.29 0.00 -0.00 0.00 0.00 57.70 58.41 1jyc n MET 42 Cb 0.41 -2.36 -0.13 0.00 0.00 0.00 0.00 33.22 31.14 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 -2.41 1.87 0.16 2.12 -0.21 -1.26 -5.09 119.66 114.84 1jyc s GLN 43 Ca 0.65 -2.68 -0.33 0.00 0.02 0.00 0.00 55.36 53.02 1jyc s GLN 43 Cb -0.48 -2.90 -0.16 0.00 1.00 0.00 0.00 33.01 30.46 1jyc s GLN 43 CO 0.55 -1.22 1.08 -1.71 -2.12 0.00 0.00 175.29 171.87 1jyc n ASN 44 N 2.76 0.94 0.00 5.90 5.15 -1.26 -2.06 115.26 126.70 1jyc n ASN 44 Ca 0.14 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 55.27 1jyc n ASN 44 Cb 0.35 -1.16 0.00 0.00 -0.53 0.00 0.00 39.78 38.44 1jyc n ASN 44 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jyc n GLY 45 N 1.92 2.84 3.54 8.20 0.00 -0.80 -4.99 105.19 115.90 1jyc n GLY 45 Ca 0.16 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1jyc n GLY 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jyc s LYS 46 N 0.00 1.88 0.04 1.61 2.47 -0.87 -4.94 119.74 119.93 1jyc s LYS 46 Ca 0.00 -1.73 -0.30 0.00 -1.56 0.00 0.00 55.97 52.37 1jyc s LYS 46 Cb 0.00 -1.85 -0.06 0.00 -1.46 0.00 0.00 37.83 34.46 1jyc s LYS 46 CO 0.00 0.27 1.31 0.08 0.16 0.00 0.00 175.35 177.17 1jyc s VAL 47 N -2.50 3.77 0.45 4.02 1.01 -1.26 -4.40 120.40 121.50 1jyc s VAL 47 Ca 0.31 1.22 0.04 0.00 0.00 0.00 0.00 61.98 63.56 1jyc s VAL 47 Cb -0.03 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1jyc s VAL 47 CO 0.17 0.05 0.01 -0.83 0.00 0.00 0.00 175.10 174.50 1jyc s GLY 48 N 1.40 2.73 0.02 4.51 0.00 -0.53 -4.47 107.32 110.97 1jyc s GLY 48 Ca 0.62 -1.42 0.04 0.00 0.00 0.00 0.00 44.72 43.95 1jyc s GLY 48 CO 0.28 -2.13 -0.11 -1.59 0.00 0.00 0.00 173.10 169.54 1jyc s THR 49 N -2.81 0.85 -0.08 0.90 2.01 -0.24 -2.03 115.64 114.25 1jyc s THR 49 Ca 0.22 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.53 1jyc s THR 49 Cb 0.06 -0.76 0.02 0.00 0.01 0.00 0.00 72.50 71.83 1jyc s THR 49 CO 0.11 0.06 -0.10 0.00 -0.69 0.00 0.00 174.62 174.00 1jyc s ALA 50 N -0.59 1.25 -0.10 7.40 0.00 -0.31 -1.60 121.76 127.81 1jyc s ALA 50 Ca 0.01 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.57 1jyc s ALA 50 Cb -0.06 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.40 1jyc s ALA 50 CO 0.00 -0.05 -0.23 -1.58 0.00 0.00 0.00 175.76 173.91 1jyc s HIS 51 N 0.98 2.59 -0.08 0.00 2.46 0.18 -1.99 115.29 119.43 1jyc s HIS 51 Ca -0.09 -0.96 0.02 0.00 0.47 0.00 0.00 55.06 54.50 1jyc s HIS 51 Cb -0.15 -1.72 0.01 0.00 -0.13 0.00 0.00 32.58 30.60 1jyc s HIS 51 CO -0.00 -0.37 -0.13 0.42 -2.47 0.00 0.00 174.74 172.19 1jyc s ILE 52 N 0.29 1.21 0.10 0.89 1.01 0.53 -0.50 121.20 124.73 1jyc s ILE 52 Ca -0.16 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1jyc s ILE 52 Cb -0.17 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 1jyc s ILE 52 CO 0.08 0.38 -0.12 0.27 0.00 0.00 0.00 174.94 175.55 1jyc s ILE 53 N 0.81 1.06 -0.27 2.92 -4.36 -0.08 -1.03 121.20 120.24 1jyc s ILE 53 Ca -0.12 -1.61 -0.24 0.00 -0.26 0.00 0.00 60.65 58.42 1jyc s ILE 53 Cb -0.15 -1.36 0.09 0.00 1.25 0.00 0.00 42.46 42.29 1jyc s ILE 53 CO 0.02 -0.48 0.81 -0.47 0.24 0.00 0.00 174.94 175.06 1jyc s TYR 54 N -2.21 -0.72 0.02 1.37 5.04 -0.89 -1.43 117.35 118.53 1jyc s TYR 54 Ca 0.05 1.71 -0.04 0.00 -2.44 0.00 0.00 57.07 56.36 1jyc s TYR 54 Cb -0.04 0.32 -0.01 0.00 0.35 0.00 0.00 41.96 42.58 1jyc s TYR 54 CO 0.01 -0.35 0.05 0.54 -1.34 0.00 0.00 175.55 174.47 1jyc s ASN 55 N 0.44 0.15 0.00 4.32 2.20 -1.26 -1.48 114.94 119.32 1jyc s ASN 55 Ca 0.00 -0.39 0.24 0.00 -0.94 0.00 0.00 52.86 51.77 1jyc s ASN 55 Cb -0.05 0.16 1.06 0.00 -2.00 0.00 0.00 41.25 40.42 1jyc s ASN 55 CO -0.03 -0.36 1.79 -1.54 -2.94 0.00 0.00 177.10 174.02 1jyc n SER 56 N 1.42 0.00 -0.01 3.54 3.41 0.10 -1.21 113.62 120.88 1jyc n SER 56 Ca -0.23 0.46 -0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1jyc n SER 56 Cb 0.56 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 63.93 1jyc n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1jyc h VAL 57 N 0.00 1.22 0.00 -3.33 2.07 -1.89 -3.34 116.25 110.98 1jyc h VAL 57 Ca 0.00 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1jyc h VAL 57 Cb 0.41 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1jyc h VAL 57 CO 0.00 0.35 -0.83 0.44 0.02 0.00 0.00 177.57 177.55 1jyc h ASP 58 N -0.84 0.00 -6.42 0.57 3.32 -1.98 -3.48 116.42 107.59 1jyc h ASP 58 Ca -0.01 -0.02 -0.49 0.00 0.02 0.00 0.00 57.03 56.54 1jyc h ASP 58 Cb 0.64 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.14 1jyc h ASP 58 CO 0.01 0.01 -0.85 0.29 -1.72 0.00 0.00 179.24 176.98 1jyc n LYS 59 N -2.69 -3.94 -4.20 3.56 5.02 -0.35 -4.90 118.16 110.67 1jyc n LYS 59 Ca 0.01 0.47 -0.28 0.00 -2.02 0.00 0.00 58.31 56.49 1jyc n LYS 59 Cb 0.54 -4.88 -0.17 0.00 -0.02 0.00 0.00 35.03 30.50 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 -6.49 2.05 -0.29 1.97 3.52 -1.25 -1.48 118.95 116.98 1jyc s ARG 60 Ca 0.20 -0.48 -0.17 0.00 -0.13 0.00 0.00 55.73 55.15 1jyc s ARG 60 Cb -0.10 -1.86 -0.03 0.00 -1.56 0.00 0.00 34.95 31.41 1jyc s ARG 60 CO 0.87 -0.16 0.45 -1.17 -0.81 0.00 0.00 175.30 174.48 1jyc s LEU 61 N 1.29 4.12 0.08 -0.88 2.96 -0.33 -4.22 118.68 121.71 1jyc s LEU 61 Ca -0.01 0.28 0.07 0.00 -0.22 0.00 0.00 54.13 54.26 1jyc s LEU 61 Cb -0.14 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.98 1jyc s LEU 61 CO -0.06 -0.29 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.05 1jyc s SER 62 N 1.64 2.30 0.06 3.68 0.01 -0.51 -1.42 113.70 119.44 1jyc s SER 62 Ca 0.18 -0.64 0.02 0.00 1.31 0.00 0.00 55.95 56.83 1jyc s SER 62 Cb -0.16 -0.13 -0.03 0.00 0.21 0.00 0.00 66.02 65.92 1jyc s SER 62 CO 0.10 0.04 -0.08 0.00 0.41 0.00 0.00 173.24 173.71 1jyc s ALA 63 N -1.12 0.72 -0.02 1.44 0.00 -0.08 -0.90 121.76 121.80 1jyc s ALA 63 Ca 0.04 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1jyc s ALA 63 Cb -0.10 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1jyc s ALA 63 CO 0.03 -0.03 -0.03 0.08 0.00 0.00 0.00 175.76 175.81 1jyc s VAL 64 N -1.74 0.37 -0.05 0.00 1.01 0.35 -2.40 120.40 117.93 1jyc s VAL 64 Ca -0.05 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1jyc s VAL 64 Cb -0.07 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 35.95 1jyc s VAL 64 CO -0.00 0.15 -0.05 -0.69 0.00 0.00 0.00 175.10 174.52 1jyc s VAL 65 N 0.52 0.58 0.21 2.92 1.01 -0.70 -0.65 120.40 124.30 1jyc s VAL 65 Ca -0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 1jyc s VAL 65 Cb -0.09 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 1jyc s VAL 65 CO -0.00 0.24 0.34 -0.94 0.00 0.00 0.00 175.10 174.74 1jyc s SER 66 N 1.04 -0.00 -0.05 3.32 1.04 -0.63 -0.88 113.70 117.54 1jyc s SER 66 Ca -0.09 -1.01 0.05 0.00 0.48 0.00 0.00 55.95 55.39 1jyc s SER 66 Cb -0.14 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 1jyc s SER 66 CO -0.01 -1.00 -0.21 -0.31 0.98 0.00 0.00 173.24 172.69 1jyc s TYR 67 N -4.03 2.08 -0.25 5.02 2.02 -1.26 -1.08 117.35 119.85 1jyc s TYR 67 Ca 0.24 -0.59 -0.39 0.00 -0.37 0.00 0.00 57.07 55.96 1jyc s TYR 67 Cb 0.02 -1.38 -0.15 0.00 -0.40 0.00 0.00 41.96 40.06 1jyc s TYR 67 CO 0.07 -0.18 1.79 -0.35 -1.57 0.00 0.00 175.55 175.31 1jyc n PRO 68 N 2.99 1.33 -0.97 -1.71 -0.04 -1.26 -0.83 135.00 134.50 1jyc n PRO 68 Ca -0.17 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1jyc n PRO 68 Cb 0.52 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1jyc n PRO 68 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jyc n ASN 69 N 5.82 -0.21 -3.44 3.54 4.13 -1.26 -5.03 115.26 118.81 1jyc n ASN 69 Ca 0.27 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.41 1jyc n ASN 69 Cb 0.16 -0.04 0.02 0.00 -1.54 0.00 0.00 39.78 38.38 1jyc n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jyc n ALA 70 N 0.91 0.52 -2.29 5.41 0.00 -0.01 -5.11 120.51 119.94 1jyc n ALA 70 Ca 0.00 -1.07 -0.28 0.00 0.00 0.00 0.00 53.44 52.09 1jyc n ALA 70 Cb 0.00 0.37 -0.01 0.00 0.00 0.00 0.00 19.45 19.81 1jyc n ALA 70 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jyc s ASP 71 N -2.70 6.35 0.21 0.00 2.15 -1.26 -4.72 116.67 116.70 1jyc s ASP 71 Ca 0.23 0.94 0.08 0.00 0.43 0.00 0.00 52.55 54.23 1jyc s ASP 71 Cb -0.02 -2.25 -0.04 0.00 -0.30 0.00 0.00 42.92 40.31 1jyc s ASP 71 CO 0.14 -0.49 0.04 -0.94 -0.17 0.00 0.00 175.17 173.75 1jyc s SER 72 N -3.78 4.87 -0.06 -0.34 1.04 -1.26 -4.35 113.70 109.81 1jyc s SER 72 Ca 0.48 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.50 1jyc s SER 72 Cb -0.10 -1.05 -0.03 0.00 0.10 0.00 0.00 66.02 64.93 1jyc s SER 72 CO 0.40 0.04 -0.08 0.00 0.98 0.00 0.00 173.24 174.58 1jyc s ALA 73 N -1.96 2.93 0.01 5.32 0.00 -0.06 -4.96 121.76 123.03 1jyc s ALA 73 Ca 0.30 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.39 1jyc s ALA 73 Cb -0.08 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 1jyc s ALA 73 CO 0.20 0.57 -0.16 0.99 0.00 0.00 0.00 175.76 177.37 1jyc s THR 74 N -0.81 1.24 -0.04 0.00 2.01 -1.26 -1.73 115.64 115.05 1jyc s THR 74 Ca 0.12 -0.80 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 1jyc s THR 74 Cb -0.11 -1.06 0.01 0.00 0.01 0.00 0.00 72.50 71.36 1jyc s THR 74 CO 0.02 0.25 0.10 0.54 -0.69 0.00 0.00 174.62 174.83 1jyc s VAL 75 N -0.52 -0.01 0.01 3.82 0.11 -1.01 -4.75 120.40 118.05 1jyc s VAL 75 Ca 0.05 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.07 1jyc s VAL 75 Cb -0.07 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.63 1jyc s VAL 75 CO 0.00 0.01 0.08 -0.44 -3.33 0.00 0.00 175.10 171.41 1jyc s SER 76 N 0.16 0.11 -0.16 3.54 0.01 -1.26 -0.90 113.70 115.20 1jyc s SER 76 Ca -0.01 -0.33 -0.13 0.00 1.31 0.00 0.00 55.95 56.80 1jyc s SER 76 Cb -0.02 0.17 0.05 0.00 0.21 0.00 0.00 66.02 66.43 1jyc s SER 76 CO -0.00 -0.35 0.41 -0.47 0.41 0.00 0.00 173.24 173.24 1jyc s TYR 77 N -1.47 -0.50 -0.18 2.43 5.04 -0.51 -4.96 117.35 117.20 1jyc s TYR 77 Ca -0.15 1.17 -0.27 0.00 -2.44 0.00 0.00 57.07 55.38 1jyc s TYR 77 Cb -0.08 0.19 -0.01 0.00 0.35 0.00 0.00 41.96 42.41 1jyc s TYR 77 CO 0.00 -0.26 0.90 -0.51 -1.34 0.00 0.00 175.55 174.35 1jyc s ASP 78 N 0.59 7.01 -0.18 4.32 1.01 -1.26 -1.19 116.67 126.98 1jyc s ASP 78 Ca -0.03 1.25 -0.14 0.00 0.71 0.00 0.00 52.55 54.34 1jyc s ASP 78 Cb -0.05 -2.49 0.05 0.00 1.01 0.00 0.00 42.92 41.45 1jyc s ASP 78 CO -0.04 -0.48 0.46 0.54 0.21 0.00 0.00 175.17 175.86 1jyc s VAL 79 N 2.45 -0.01 -1.13 -1.27 0.11 -0.55 -4.97 120.40 115.04 1jyc s VAL 79 Ca 0.41 0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 59.38 1jyc s VAL 79 Cb -0.16 -0.66 0.25 0.00 -1.53 0.00 0.00 36.38 34.28 1jyc s VAL 79 CO 0.11 0.01 1.17 -0.62 -3.33 0.00 0.00 175.10 172.45 1jyc s ASP 80 N 0.66 7.26 0.64 3.54 2.15 -1.26 -4.43 116.67 125.22 1jyc s ASP 80 Ca -0.03 -3.44 0.14 0.00 0.43 0.00 0.00 52.55 49.64 1jyc s ASP 80 Cb -0.05 -2.25 0.56 0.00 -0.30 0.00 0.00 42.92 40.88 1jyc s ASP 80 CO -0.04 -0.40 1.25 -0.07 -0.17 0.00 0.00 175.17 175.74 1jyc h LEU 81 N 7.36 0.00 -1.06 -1.34 3.38 -1.98 -1.15 115.31 120.51 1jyc h LEU 81 Ca 0.21 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.25 1jyc h LEU 81 Cb 0.88 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.56 1jyc h LEU 81 CO 1.06 0.00 0.63 0.44 0.09 0.00 0.00 178.44 180.65 1jyc h ASP 82 N 0.00 0.97 -0.68 -0.43 5.19 -1.90 -1.58 116.42 118.00 1jyc h ASP 82 Ca 0.17 0.01 -0.44 0.00 -0.62 0.00 0.00 57.03 56.16 1jyc h ASP 82 Cb 2.10 -0.19 -0.26 0.00 0.18 0.00 0.00 39.33 41.16 1jyc h ASP 82 CO -0.00 0.61 0.02 0.59 -3.12 0.00 0.00 179.24 177.34 1jyc n ASN 83 N -4.51 4.54 0.00 6.45 3.02 -0.43 -4.39 115.26 119.93 1jyc n ASN 83 Ca 0.15 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.94 1jyc n ASN 83 Cb 0.22 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 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 -0.97 0.00 -4.21 2.41 0.31 -0.96 -5.08 118.33 109.83 1jyc n VAL 84 Ca 0.46 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.55 1jyc n VAL 84 Cb 0.99 -0.49 -0.06 0.00 -0.91 0.00 0.00 33.84 33.36 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 -4.49 3.43 0.58 7.52 1.43 -0.63 -4.97 118.68 121.54 1jyc s LEU 85 Ca 0.00 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 1jyc s LEU 85 Cb 0.00 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 1jyc s LEU 85 CO 0.00 0.02 1.00 -2.16 0.23 0.00 0.00 176.35 175.43 1jyc s PRO 86 N -3.51 3.70 0.57 1.29 0.04 -1.26 -4.77 135.00 131.07 1jyc s PRO 86 Ca 0.31 0.77 0.27 0.00 0.04 0.00 0.00 61.00 62.39 1jyc s PRO 86 Cb -0.08 -2.12 1.69 0.00 0.04 0.00 0.00 34.50 34.03 1jyc s PRO 86 CO 0.21 -0.45 2.22 1.05 0.04 0.00 0.00 177.00 180.08 1jyc h GLU 87 N 0.11 0.00 -5.38 4.56 4.11 -1.91 -3.39 114.58 112.68 1jyc h GLU 87 Ca -0.45 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.33 1jyc h GLU 87 Cb 1.19 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.20 1jyc h GLU 87 CO 0.62 0.01 -0.72 -1.58 0.07 0.00 0.00 179.01 177.41 1jyc s TRP 88 N -4.69 2.90 0.19 2.06 0.52 -1.26 -1.85 118.94 116.81 1jyc s TRP 88 Ca -0.05 -0.45 0.04 0.00 0.02 0.00 0.00 56.10 55.66 1jyc s TRP 88 Cb 0.15 -1.88 -0.01 0.00 -1.15 0.00 0.00 33.47 30.58 1jyc s TRP 88 CO 0.57 -0.10 0.18 1.33 0.02 0.00 0.00 176.95 178.95 1jyc n VAL 89 N 3.42 0.00 -4.18 4.03 0.24 -0.44 -4.47 118.33 116.94 1jyc n VAL 89 Ca -0.18 -1.34 -0.16 0.00 -2.04 0.00 0.00 64.34 60.63 1jyc n VAL 89 Cb 0.53 0.68 -0.13 0.00 -1.47 0.00 0.00 33.84 33.45 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 -2.73 0.59 0.10 7.34 3.52 -0.40 0.00 118.95 127.37 1jyc s ARG 90 Ca 0.22 -0.52 0.08 0.00 -0.13 0.00 0.00 55.73 55.37 1jyc s ARG 90 Cb 0.01 -0.49 -0.04 0.00 -1.56 0.00 0.00 34.95 32.87 1jyc s ARG 90 CO 0.16 0.12 -0.15 0.14 -0.81 0.00 0.00 175.30 174.75 1jyc s VAL 91 N -0.75 3.04 0.15 7.11 -7.23 -1.26 -1.34 120.40 120.13 1jyc s VAL 91 Ca -0.03 -1.37 -0.14 0.00 -1.81 0.00 0.00 61.98 58.63 1jyc s VAL 91 Cb -0.06 -2.39 0.05 0.00 0.56 0.00 0.00 36.38 34.53 1jyc s VAL 91 CO 0.00 0.13 0.68 0.61 -0.31 0.00 0.00 175.10 176.21 1jyc n GLY 92 N 0.86 0.91 3.26 2.32 0.00 -0.47 -0.94 105.19 111.14 1jyc n GLY 92 Ca -0.15 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 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 2.04 0.12 0.99 1.43 0.18 -1.22 118.68 122.22 1jyc s LEU 93 Ca 0.15 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 52.88 1jyc s LEU 93 Cb -0.02 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 1jyc s LEU 93 CO 0.05 0.28 -0.13 -0.55 0.23 0.00 0.00 176.35 176.23 1jyc s SER 94 N -0.53 1.89 0.15 2.29 0.15 -0.29 -1.33 113.70 116.03 1jyc s SER 94 Ca 0.09 -0.81 -0.23 0.00 0.70 0.00 0.00 55.95 55.69 1jyc s SER 94 Cb -0.09 -0.05 0.07 0.00 -1.71 0.00 0.00 66.02 64.24 1jyc s SER 94 CO -0.01 -0.17 0.61 0.00 1.20 0.00 0.00 173.24 174.87 1jyc s ALA 95 N -2.22 -1.61 0.15 5.45 0.00 -1.02 -1.03 121.76 121.48 1jyc s ALA 95 Ca 0.08 0.54 -0.24 0.00 0.00 0.00 0.00 51.96 52.34 1jyc s ALA 95 Cb -0.04 0.84 0.06 0.00 0.00 0.00 0.00 23.12 23.98 1jyc s ALA 95 CO 0.02 -0.75 0.79 -1.54 0.00 0.00 0.00 175.76 174.29 1jyc s SER 96 N -2.66 -0.35 0.32 0.00 1.04 -1.14 -2.77 113.70 108.15 1jyc s SER 96 Ca 0.00 -0.25 0.06 0.00 0.48 0.00 0.00 55.95 56.24 1jyc s SER 96 Cb -0.01 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.64 1jyc s SER 96 CO -0.12 -0.96 0.21 0.35 0.98 0.00 0.00 173.24 173.70 1jyc n THR 97 N -0.39 0.00 0.00 2.02 -2.24 -0.34 -0.37 114.28 112.95 1jyc n THR 97 Ca -0.09 -2.16 0.00 0.00 -2.27 0.00 0.00 64.05 59.53 1jyc n THR 97 Cb 0.62 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 1jyc n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jyc n GLY 98 N -0.54 1.03 0.07 3.38 0.00 -1.26 -0.96 105.19 106.91 1jyc n GLY 98 Ca 0.03 0.38 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 0.08-10.15 0.99 5.85 -1.95 -1.98 115.31 108.15 1jyc h LEU 99 Ca 0.00 -0.17 -0.48 0.00 0.84 0.00 0.00 57.88 58.07 1jyc h LEU 99 Cb 0.00 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1jyc h LEU 99 CO 0.00 0.23 -0.44 -0.31 -0.34 0.00 0.00 178.44 177.58 1jyc s TYR 100 N -5.52 3.46 0.38 1.25 2.02 -1.26 -4.91 117.35 112.77 1jyc s TYR 100 Ca -0.14 0.02 0.05 0.00 -0.37 0.00 0.00 57.07 56.63 1jyc s TYR 100 Cb 0.05 -1.60 -0.03 0.00 -0.40 0.00 0.00 41.96 39.99 1jyc s TYR 100 CO 0.68 0.46 0.17 -1.59 -1.57 0.00 0.00 175.55 173.70 1jyc s LYS 101 N -3.77 1.85 -0.17 -0.62 -2.85 -1.25 -4.47 119.74 108.46 1jyc s LYS 101 Ca 0.34 -2.11 -0.35 0.00 -1.00 0.00 0.00 55.97 52.86 1jyc s LYS 101 Cb -0.10 -0.31 0.14 0.00 -2.06 0.00 0.00 37.83 35.50 1jyc s LYS 101 CO 0.29 -0.52 1.21 -1.83 0.10 0.00 0.00 175.35 174.60 1jyc s GLU 102 N -3.66 0.32 0.35 1.78 -1.05 -1.21 -3.16 118.70 112.07 1jyc s GLU 102 Ca 0.29 -0.12 -0.11 0.00 -0.15 0.00 0.00 54.97 54.88 1jyc s GLU 102 Cb 0.03 0.14 -0.07 0.00 -0.44 0.00 0.00 34.13 33.79 1jyc s GLU 102 CO 0.18 -0.14 0.72 0.95 0.95 0.00 0.00 175.26 177.92 1jyc s THR 103 N -2.42 4.79 -0.49 1.83 -4.23 0.10 -4.73 115.64 110.49 1jyc s THR 103 Ca 0.10 0.66 0.07 0.00 -1.18 0.00 0.00 61.69 61.34 1jyc s THR 103 Cb -0.00 -3.68 0.25 0.00 1.34 0.00 0.00 72.50 70.40 1jyc s THR 103 CO -0.05 -0.35 0.60 0.59 -0.54 0.00 0.00 174.62 174.88 1jyc n ASN 104 N -0.85 1.59 -4.69 3.99 4.13 -1.26 -3.89 115.26 114.28 1jyc n ASN 104 Ca 0.02 -2.98 -0.40 0.00 1.68 0.00 0.00 54.58 52.90 1jyc n ASN 104 Cb 0.54 -0.65 -0.05 0.00 -1.54 0.00 0.00 39.78 38.07 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 -1.65 5.05 -0.27 3.41 2.01 -1.16 -2.45 115.64 120.57 1jyc s THR 105 Ca 0.37 1.26 -0.09 0.00 0.31 0.00 0.00 61.69 63.53 1jyc s THR 105 Cb 0.15 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1jyc s THR 105 CO -0.08 0.18 0.13 -0.63 -0.69 0.00 0.00 174.62 173.54 1jyc s ILE 106 N 1.37 4.71 -0.17 1.82 -1.09 0.16 -0.72 121.20 127.28 1jyc s ILE 106 Ca 0.32 -0.12 0.20 0.00 -2.23 0.00 0.00 60.65 58.81 1jyc s ILE 106 Cb -0.16 -3.27 -0.09 0.00 -1.58 0.00 0.00 42.46 37.36 1jyc s ILE 106 CO 0.13 0.24 0.88 0.18 -1.23 0.00 0.00 174.94 175.14 1jyc n LEU 107 N 4.98 0.78 -3.55 2.97 4.32 0.14 -1.50 117.00 125.15 1jyc n LEU 107 Ca -0.15 0.32 -0.11 0.00 -0.02 0.00 0.00 56.01 56.06 1jyc n LEU 107 Cb 0.51 0.02 -0.04 0.00 -1.62 0.00 0.00 43.42 42.29 1jyc n LEU 107 CO 0.32 -0.00 0.71 -0.94 -1.22 0.00 0.00 177.39 176.26 1jyc s SER 108 N -5.51 -0.40 -0.21 -1.43 1.04 -1.24 -4.63 113.70 101.32 1jyc s SER 108 Ca -0.02 0.32 -0.11 0.00 0.48 0.00 0.00 55.95 56.62 1jyc s SER 108 Cb 0.09 0.36 0.07 0.00 0.10 0.00 0.00 66.02 66.64 1jyc s SER 108 CO 0.81 -0.46 0.50 0.86 0.98 0.00 0.00 173.24 175.93 1jyc s TRP 109 N -1.74 -0.81 0.07 5.02 -0.00 0.37 -2.07 118.94 119.77 1jyc s TRP 109 Ca -0.01 1.63 0.04 0.00 -0.00 0.00 0.00 56.10 57.76 1jyc s TRP 109 Cb -0.01 0.41 -0.03 0.00 -0.00 0.00 0.00 33.47 33.85 1jyc s TRP 109 CO -0.01 -0.44 -0.12 -1.54 -0.00 0.00 0.00 176.95 174.85 1jyc s SER 110 N 1.75 1.46 -0.05 5.86 1.04 -0.09 0.72 113.70 124.39 1jyc s SER 110 Ca -0.08 -0.64 -0.05 0.00 0.48 0.00 0.00 55.95 55.65 1jyc s SER 110 Cb -0.08 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.03 1jyc s SER 110 CO -0.15 -0.14 0.14 0.12 0.98 0.00 0.00 173.24 174.19 1jyc s PHE 111 N -1.55 -0.14 -0.02 5.02 5.36 -0.10 -1.64 117.98 124.91 1jyc s PHE 111 Ca -0.02 0.34 -0.00 0.00 -0.96 0.00 0.00 56.93 56.28 1jyc s PHE 111 Cb -0.08 0.04 0.03 0.00 -0.34 0.00 0.00 43.02 42.66 1jyc s PHE 111 CO 0.01 -0.10 0.03 0.99 -1.46 0.00 0.00 175.22 174.70 1jyc s THR 112 N -0.07 -0.05 -0.01 0.12 2.01 -0.58 -1.66 115.64 115.40 1jyc s THR 112 Ca -0.01 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.19 1jyc s THR 112 Cb -0.02 -0.08 -0.00 0.00 0.01 0.00 0.00 72.50 72.41 1jyc s THR 112 CO 0.00 0.07 -0.08 -0.55 -0.69 0.00 0.00 174.62 173.38 1jyc s SER 113 N 0.89 0.96 -0.01 3.53 0.15 -0.30 -0.99 113.70 117.94 1jyc s SER 113 Ca -0.07 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1jyc s SER 113 Cb -0.11 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.03 1jyc s SER 113 CO -0.03 0.07 0.01 -0.54 1.20 0.00 0.00 173.24 173.95 1jyc s LYS 114 N 0.01 0.01 -0.12 5.44 1.02 -0.16 -1.32 119.74 124.62 1jyc s LYS 114 Ca 0.00 0.04 -0.02 0.00 0.02 0.00 0.00 55.97 56.01 1jyc s LYS 114 Cb -0.05 -0.09 0.04 0.00 -0.52 0.00 0.00 37.83 37.21 1jyc s LYS 114 CO -0.00 -0.04 0.03 -1.17 -0.92 0.00 0.00 175.35 173.24 1jyc s LEU 115 N 0.29 0.71 -0.25 3.17 2.96 0.68 -1.62 118.68 124.63 1jyc s LEU 115 Ca -0.02 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1jyc s LEU 115 Cb -0.04 -0.45 0.02 0.00 0.50 0.00 0.00 46.19 46.23 1jyc s LEU 115 CO -0.01 -0.25 -0.06 -1.59 -1.32 0.00 0.00 176.35 173.13 1jyc s LYS 116 N 1.97 2.90 0.86 1.98 -2.85 -0.51 -0.27 119.74 123.81 1jyc s LYS 116 Ca 0.03 -0.94 -0.12 0.00 -1.00 0.00 0.00 55.97 53.94 1jyc s LYS 116 Cb -0.14 -2.99 0.11 0.00 -2.06 0.00 0.00 37.83 32.75 1jyc s LYS 116 CO -0.06 -0.38 1.12 -1.54 0.10 0.00 0.00 175.35 174.59 1jyc s SER 117 N 1.34 3.97 -1.25 0.03 1.04 -0.95 -0.81 113.70 117.08 1jyc s SER 117 Ca 0.01 1.15 -0.18 0.00 0.48 0.00 0.00 55.95 57.41 1jyc s SER 117 Cb -0.16 -1.80 0.09 0.00 0.10 0.00 0.00 66.02 64.24 1jyc s SER 117 CO -0.04 -2.28 1.64 0.54 0.98 0.00 0.00 173.24 174.07 1jyc s ASN 118 N -3.94 6.85 0.00 7.02 2.20 -1.04 -2.04 114.94 123.99 1jyc s ASN 118 Ca 0.62 -2.46 0.00 0.00 -0.94 0.00 0.00 52.86 50.08 1jyc s ASN 118 Cb -0.15 -2.54 0.00 0.00 -2.00 0.00 0.00 41.25 36.56 1jyc s ASN 118 CO 0.54 -1.11 0.00 -1.20 -2.94 0.00 0.00 177.10 172.39 1jyc n SER 119 N 7.84 0.00 0.00 3.54 7.64 -1.26 -5.07 113.62 126.31 1jyc n SER 119 Ca 0.44 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.61 1jyc n SER 119 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1jyc n SER 119 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1jyc n THR 120 N 0.00 0.00 0.00 0.44 -1.04 -0.87 -4.11 114.28 108.70 1jyc n THR 120 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1jyc n THR 120 Cb 0.26 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 1jyc n THR 120 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1jyc n HIS 121 N 3.47 0.00 -1.92 -1.42 8.25 -1.26 -4.20 115.22 118.14 1jyc n HIS 121 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1jyc n HIS 121 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 1jyc n HIS 121 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1jyc n GLU 122 N -0.43 2.13 -3.81 -0.41 -0.58 -1.26 -4.90 120.64 111.38 1jyc n GLU 122 Ca 0.00 -2.53 -0.35 0.00 -0.42 0.00 0.00 57.16 53.86 1jyc n GLU 122 Cb 0.00 -3.41 -0.08 0.00 -0.57 0.00 0.00 31.44 27.37 1jyc n GLU 122 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1jyc s THR 123 N 6.87 5.25 -0.09 2.62 2.01 -1.26 -2.23 115.64 128.80 1jyc s THR 123 Ca 0.59 0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.71 1jyc s THR 123 Cb 0.06 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 1jyc s THR 123 CO 0.09 0.46 -0.03 0.20 -0.69 0.00 0.00 174.62 174.65 1jyc s ASN 124 N 0.26 4.97 0.03 3.53 -0.87 0.62 -4.94 114.94 118.54 1jyc s ASN 124 Ca 0.07 0.04 -0.02 0.00 -1.57 0.00 0.00 52.86 51.38 1jyc s ASN 124 Cb -0.11 -1.44 -0.02 0.00 -0.02 0.00 0.00 41.25 39.66 1jyc s ASN 124 CO -0.01 0.33 0.01 0.00 -2.57 0.00 0.00 177.10 174.86 1jyc s ALA 125 N -0.61 0.18 -0.01 0.60 0.00 -1.26 -0.23 121.76 120.42 1jyc s ALA 125 Ca 0.10 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1jyc s ALA 125 Cb -0.12 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1jyc s ALA 125 CO 0.02 -0.27 0.03 -1.17 0.00 0.00 0.00 175.76 174.37 1jyc s LEU 126 N -2.11 1.64 -0.18 0.00 2.96 -0.44 -5.00 118.68 115.56 1jyc s LEU 126 Ca -0.06 0.06 -0.10 0.00 -0.22 0.00 0.00 54.13 53.81 1jyc s LEU 126 Cb -0.02 0.06 0.06 0.00 0.50 0.00 0.00 46.19 46.79 1jyc s LEU 126 CO -0.05 -0.05 0.44 -2.28 -1.32 0.00 0.00 176.35 173.10 1jyc s HIS 127 N 0.34 -0.65 0.02 5.38 5.65 -1.26 -1.15 115.29 123.62 1jyc s HIS 127 Ca -0.03 1.38 -0.00 0.00 0.25 0.00 0.00 55.06 56.66 1jyc s HIS 127 Cb -0.04 0.30 -0.02 0.00 -1.18 0.00 0.00 32.58 31.65 1jyc s HIS 127 CO -0.01 -0.36 -0.03 -0.59 -0.65 0.00 0.00 174.74 173.10 1jyc s PHE 128 N 1.36 0.24 -0.04 3.88 -0.12 -0.66 -5.00 117.98 117.63 1jyc s PHE 128 Ca -0.09 -0.48 -0.01 0.00 -0.05 0.00 0.00 56.93 56.30 1jyc s PHE 128 Cb -0.08 -0.17 0.03 0.00 -0.63 0.00 0.00 43.02 42.17 1jyc s PHE 128 CO -0.13 -0.17 0.08 1.41 -0.05 0.00 0.00 175.22 176.36 1jyc s MET 129 N -1.32 -0.02 -0.23 1.99 1.75 -1.26 -0.93 119.30 119.28 1jyc s MET 129 Ca -0.14 0.32 -0.02 0.00 -1.25 0.00 0.00 55.69 54.60 1jyc s MET 129 Cb -0.09 -0.31 0.02 0.00 2.84 0.00 0.00 34.83 37.29 1jyc s MET 129 CO -0.01 -0.23 -0.08 -0.06 -0.65 0.00 0.00 175.02 173.99 1jyc s PHE 130 N 1.55 3.00 -0.10 4.11 0.08 0.22 -4.92 117.98 121.92 1jyc s PHE 130 Ca -0.04 -1.44 0.05 0.00 0.12 0.00 0.00 56.93 55.62 1jyc s PHE 130 Cb -0.12 -2.04 -0.08 0.00 -0.57 0.00 0.00 43.02 40.21 1jyc s PHE 130 CO -0.04 -0.70 0.16 0.09 -0.10 0.00 0.00 175.22 174.63 1jyc n ASN 131 N 4.69 2.42 -3.83 1.36 3.02 -1.26 -0.48 115.26 121.18 1jyc n ASN 131 Ca -0.18 -0.24 -0.14 0.00 -0.03 0.00 0.00 54.58 54.00 1jyc n ASN 131 Cb 0.48 1.16 -0.15 0.00 -0.61 0.00 0.00 39.78 40.66 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 -2.05 0.05 -0.24 3.52 -1.52 -1.26 -4.76 119.66 113.40 1jyc s GLN 132 Ca -0.00 0.08 -0.02 0.00 -1.95 0.00 0.00 55.36 53.46 1jyc s GLN 132 Cb 0.04 -0.20 0.02 0.00 -0.22 0.00 0.00 33.01 32.64 1jyc s GLN 132 CO 0.23 -0.08 -0.07 -0.06 -0.25 0.00 0.00 175.29 175.06 1jyc s PHE 133 N 0.60 3.01 0.58 0.91 0.08 0.38 -5.03 117.98 118.51 1jyc s PHE 133 Ca -0.05 -1.38 -0.09 0.00 0.12 0.00 0.00 56.93 55.52 1jyc s PHE 133 Cb -0.08 -2.06 -0.03 0.00 -0.57 0.00 0.00 43.02 40.28 1jyc s PHE 133 CO -0.02 -0.69 0.95 -1.54 -0.10 0.00 0.00 175.22 173.83 1jyc s SER 134 N 1.37 6.18 0.63 1.36 1.04 -1.26 -2.65 113.70 120.36 1jyc s SER 134 Ca 0.02 1.22 0.35 0.00 0.48 0.00 0.00 55.95 58.02 1jyc s SER 134 Cb -0.16 -2.34 1.96 0.00 0.10 0.00 0.00 66.02 65.58 1jyc s SER 134 CO -0.05 -0.81 2.21 0.50 0.98 0.00 0.00 173.24 176.07 1jyc h LYS 135 N -0.15 0.00 -2.76 4.02 3.64 -1.83 -3.20 116.57 116.29 1jyc h LYS 135 Ca -0.45 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.32 1jyc h LYS 135 Cb 1.20 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.62 1jyc h LYS 135 CO 0.62 0.00 -0.75 0.34 -2.27 0.00 0.00 179.45 177.39 1jyc s ASP 136 N -5.47 3.30 -1.20 4.20 2.15 -1.26 -4.75 116.67 113.63 1jyc s ASP 136 Ca -0.05 -3.51 -0.14 0.00 0.43 0.00 0.00 52.55 49.28 1jyc s ASP 136 Cb 0.14 -1.10 0.17 0.00 -0.30 0.00 0.00 42.92 41.83 1jyc s ASP 136 CO 0.46 -0.12 1.43 -1.58 -0.17 0.00 0.00 175.17 175.20 1jyc s GLN 137 N -0.79 4.07 0.24 4.34 2.00 -1.21 -4.87 119.66 123.44 1jyc s GLN 137 Ca 0.29 -2.53 0.15 0.00 -2.00 0.00 0.00 55.36 51.26 1jyc s GLN 137 Cb -0.01 -5.08 0.80 0.00 0.80 0.00 0.00 33.01 29.53 1jyc s GLN 137 CO -0.18 -1.79 1.43 1.63 -0.50 0.00 0.00 175.29 175.88 1jyc n LYS 138 N 5.78 0.10 -0.28 1.67 5.02 -1.26 -1.33 118.16 127.86 1jyc n LYS 138 Ca 0.37 0.58 0.09 0.00 -2.02 0.00 0.00 58.31 57.33 1jyc n LYS 138 Cb 0.43 -1.86 0.25 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.02 2.97 -4.27 4.39 5.75 -1.26 -4.88 116.55 117.23 1jyc n ASP 139 Ca -0.01 -1.99 -0.27 0.00 -0.01 0.00 0.00 54.79 52.51 1jyc n ASP 139 Cb 0.07 -0.36 -0.15 0.00 -1.03 0.00 0.00 41.12 39.65 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 -1.03 2.15 -0.30 -2.12 1.43 -0.44 -1.20 118.68 117.16 1jyc s LEU 140 Ca 0.37 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 52.87 1jyc s LEU 140 Cb 0.19 -1.08 -0.00 0.00 0.03 0.00 0.00 46.19 45.33 1jyc s LEU 140 CO 0.26 0.20 0.12 -0.63 0.23 0.00 0.00 176.35 176.53 1jyc s ILE 141 N -0.75 4.34 -0.18 -0.59 1.01 -0.49 -4.88 121.20 119.65 1jyc s ILE 141 Ca 0.09 -0.53 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 1jyc s ILE 141 Cb -0.09 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.11 1jyc s ILE 141 CO 0.01 0.08 0.22 -0.76 0.00 0.00 0.00 174.94 174.49 1jyc s LEU 142 N 1.57 4.22 0.24 2.97 1.43 -1.26 -1.96 118.68 125.88 1jyc s LEU 142 Ca 0.04 0.36 0.10 0.00 -1.03 0.00 0.00 54.13 53.60 1jyc s LEU 142 Cb -0.17 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 1jyc s LEU 142 CO 0.05 0.13 -0.19 -1.10 0.23 0.00 0.00 176.35 175.47 1jyc s GLN 143 N 0.48 1.52 5.80 1.70 -0.21 -0.63 -4.97 119.66 123.35 1jyc s GLN 143 Ca 0.12 -1.66 0.00 0.00 0.02 0.00 0.00 55.36 53.84 1jyc s GLN 143 Cb -0.12 -1.54 0.00 0.00 1.00 0.00 0.00 33.01 32.34 1jyc s GLN 143 CO 0.01 0.29 0.00 0.41 -2.12 0.00 0.00 175.29 173.88 1jyc n GLY 144 N -0.38 2.75 0.39 3.09 0.00 -1.26 -1.62 105.19 108.16 1jyc n GLY 144 Ca -0.07 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.60 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 1.30 1.15 -4.75 1.61 8.00 0.24 -4.90 116.55 119.21 1jyc n ASP 145 Ca 0.00 -1.79 -0.42 0.00 0.71 0.00 0.00 54.79 53.29 1jyc n ASP 145 Cb 0.00 -0.11 -0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1jyc n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jyc n ALA 146 N 0.05 2.05 -3.14 2.24 0.00 -1.10 -4.41 120.51 116.20 1jyc n ALA 146 Ca 0.12 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.78 1jyc n ALA 146 Cb 0.22 -2.37 -0.08 0.00 0.00 0.00 0.00 19.45 17.21 1jyc n ALA 146 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jyc s THR 147 N -1.10 0.07 0.25 0.00 -4.23 -0.53 -4.81 115.64 105.30 1jyc s THR 147 Ca 0.54 -0.58 0.04 0.00 -1.18 0.00 0.00 61.69 60.52 1jyc s THR 147 Cb -0.50 -0.71 -0.05 0.00 1.34 0.00 0.00 72.50 72.57 1jyc s THR 147 CO 0.63 -0.32 -0.01 0.42 -0.54 0.00 0.00 174.62 174.80 1jyc s THR 148 N -1.75 1.21 0.00 3.99 -4.23 -1.26 -1.27 115.64 112.33 1jyc s THR 148 Ca -0.11 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.35 1jyc s THR 148 Cb -0.04 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1jyc s THR 148 CO 0.01 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1jyc n GLY 149 N -0.49 2.43 3.61 3.99 0.00 -1.08 -4.21 105.19 109.44 1jyc n GLY 149 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.45 3.77 -0.45 2.61 -4.23 -1.25 -2.75 115.64 110.89 1jyc s THR 150 Ca 0.00 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.33 1jyc s THR 150 Cb 0.00 -3.94 0.00 0.00 1.34 0.00 0.00 72.50 69.90 1jyc s THR 150 CO 0.00 -0.53 0.00 -0.67 -0.54 0.00 0.00 174.62 172.88 1jyc n ASP 151 N 8.99 -5.61 -0.00 3.99 2.03 -1.26 -0.56 116.55 124.13 1jyc n ASP 151 Ca 0.18 0.11 -0.00 0.00 0.52 0.00 0.00 54.79 55.60 1jyc n ASP 151 Cb 0.47 -3.48 -0.00 0.00 -0.72 0.00 0.00 41.12 37.38 1jyc n ASP 151 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jyc n GLY 152 N 0.32 0.48 3.95 0.27 0.00 -1.11 -4.96 105.19 104.14 1jyc n GLY 152 Ca -0.04 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.06 5.29 -0.29 1.61 0.01 0.28 -0.47 114.94 119.31 1jyc s ASN 153 Ca 0.00 -0.64 -0.03 0.00 -0.71 0.00 0.00 52.86 51.48 1jyc s ASN 153 Cb 0.00 -0.48 0.03 0.00 0.41 0.00 0.00 41.25 41.21 1jyc s ASN 153 CO 0.00 -0.78 0.01 -0.22 -1.51 0.00 0.00 177.10 174.60 1jyc s LEU 154 N -4.28 3.72 -0.42 0.60 2.96 -0.56 -2.93 118.68 117.78 1jyc s LEU 154 Ca 0.52 -1.02 -0.17 0.00 -0.22 0.00 0.00 54.13 53.23 1jyc s LEU 154 Cb -0.06 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.90 1jyc s LEU 154 CO 0.31 -0.21 0.44 -1.61 -1.32 0.00 0.00 176.35 173.95 1jyc s GLU 155 N 1.34 3.14 0.22 1.98 0.41 -0.39 -0.66 118.70 124.73 1jyc s GLU 155 Ca -0.02 -0.72 0.00 0.00 -0.41 0.00 0.00 54.97 53.83 1jyc s GLU 155 Cb -0.18 -3.95 0.21 0.00 -1.78 0.00 0.00 34.13 28.42 1jyc s GLU 155 CO -0.01 -0.83 1.56 -0.07 -0.49 0.00 0.00 175.26 175.42 1jyc h LEU 156 N 9.05 0.49 -9.25 1.80 3.38 -1.75 -1.40 115.31 117.64 1jyc h LEU 156 Ca -0.27 -0.25 -0.59 0.00 0.09 0.00 0.00 57.88 56.87 1jyc h LEU 156 Cb 1.11 -0.14 -0.14 0.00 0.09 0.00 0.00 40.66 41.58 1jyc h LEU 156 CO 0.79 0.92 -0.72 0.42 0.09 0.00 0.00 178.44 179.93 1jyc s THR 157 N -4.02 2.24 0.21 0.22 -4.23 -1.26 -2.89 115.64 105.92 1jyc s THR 157 Ca -0.06 -2.29 -0.31 0.00 -1.18 0.00 0.00 61.69 57.85 1jyc s THR 157 Cb 0.12 -2.41 -0.15 0.00 1.34 0.00 0.00 72.50 71.40 1jyc s THR 157 CO 0.82 -0.34 1.04 0.54 -0.54 0.00 0.00 174.62 176.14 1jyc n ARG 158 N -0.65 1.09 -3.83 3.99 5.12 -1.26 -4.83 116.66 116.28 1jyc n ARG 158 Ca -0.05 0.38 -0.15 0.00 -1.93 0.00 0.00 57.85 56.10 1jyc n ARG 158 Cb 0.62 -1.79 -0.16 0.00 -1.16 0.00 0.00 32.46 29.97 1jyc n ARG 158 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1jyc s VAL 159 N -0.56 0.02 1.30 1.55 0.11 -1.26 -2.62 120.40 118.93 1jyc s VAL 159 Ca 0.68 0.15 -0.20 0.00 -2.93 0.00 0.00 61.98 59.67 1jyc s VAL 159 Cb -0.82 -0.13 0.32 0.00 -1.53 0.00 0.00 36.38 34.22 1jyc s VAL 159 CO 0.55 0.10 1.03 -0.94 -3.33 0.00 0.00 175.10 172.51 1jyc s SER 160 N 0.92 0.06 0.29 3.54 1.04 0.14 -4.84 113.70 114.86 1jyc s SER 160 Ca -0.08 0.77 -0.02 0.00 0.48 0.00 0.00 55.95 57.09 1jyc s SER 160 Cb -0.12 -1.08 0.43 0.00 0.10 0.00 0.00 66.02 65.35 1jyc s SER 160 CO -0.02 -4.67 1.95 0.28 0.98 0.00 0.00 173.24 171.76 1jyc h SER 161 N -2.95 0.97 0.88 7.02 0.02 -2.02 -2.16 113.55 115.32 1jyc h SER 161 Ca -0.45 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1jyc h SER 161 Cb 1.32 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1jyc h SER 161 CO 0.32 0.69 -0.35 0.59 -1.14 0.00 0.00 176.83 176.94 1jyc n ASN 162 N -4.42 0.51 0.00 3.07 5.03 -1.26 -4.92 115.26 113.26 1jyc n ASN 162 Ca 0.11 0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.72 1jyc n ASN 162 Cb 0.06 -0.11 0.00 0.00 -1.02 0.00 0.00 39.78 38.71 1jyc n ASN 162 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jyc n GLY 163 N 1.42 0.94 3.71 7.41 0.00 -0.81 -5.09 105.19 112.77 1jyc n GLY 163 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1jyc n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jyc s SER 164 N -1.43 7.14 0.67 1.61 0.01 -1.26 -4.66 113.70 115.77 1jyc s SER 164 Ca 0.00 1.96 -0.14 0.00 1.31 0.00 0.00 55.95 59.08 1jyc s SER 164 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1jyc s SER 164 CO 0.00 -0.42 1.09 -2.16 0.41 0.00 0.00 173.24 172.15 1jyc s PRO 165 N 0.98 2.86 0.16 12.44 0.04 -1.26 0.26 135.00 150.47 1jyc s PRO 165 Ca 0.57 1.25 0.10 0.00 0.04 0.00 0.00 61.00 62.96 1jyc s PRO 165 Cb -0.28 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1jyc s PRO 165 CO 0.29 -1.19 -0.20 -0.65 0.04 0.00 0.00 177.00 175.30 1jyc s GLN 166 N -4.34 1.70 0.62 4.56 -0.21 -1.08 -4.83 119.66 116.08 1jyc s GLN 166 Ca 0.64 -1.33 -0.10 0.00 0.02 0.00 0.00 55.36 54.59 1jyc s GLN 166 Cb -0.18 -2.01 -0.02 0.00 1.00 0.00 0.00 33.01 31.81 1jyc s GLN 166 CO 0.44 0.44 1.01 0.20 -2.12 0.00 0.00 175.29 175.26 1jyc s GLY 167 N -2.43 1.62 -0.96 3.09 0.00 -1.26 -4.44 107.32 102.94 1jyc s GLY 167 Ca 0.20 -0.28 -0.10 0.00 0.00 0.00 0.00 44.72 44.53 1jyc s GLY 167 CO 0.10 0.00 0.74 1.44 0.00 0.00 0.00 173.10 175.39 1jyc n SER 168 N -2.75 -5.96 -4.09 1.64 7.64 -0.74 -4.80 113.62 104.56 1jyc n SER 168 Ca 0.05 -0.75 -0.14 0.00 1.01 0.00 0.00 58.87 59.05 1jyc n SER 168 Cb 0.55 -3.63 -0.11 0.00 -1.01 0.00 0.00 64.21 60.01 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 -3.24 1.03 -0.03 6.43 0.15 -1.21 -4.94 113.70 111.89 1jyc s SER 169 Ca 0.25 -0.57 -0.15 0.00 0.70 0.00 0.00 55.95 56.18 1jyc s SER 169 Cb -0.08 0.02 0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1jyc s SER 169 CO 0.83 -0.18 0.33 0.68 1.20 0.00 0.00 173.24 176.10 1jyc s VAL 170 N -1.38 0.05 -0.19 4.45 -7.23 -1.26 -1.20 120.40 113.63 1jyc s VAL 170 Ca -0.08 -0.40 -0.30 0.00 -1.81 0.00 0.00 61.98 59.39 1jyc s VAL 170 Cb -0.10 -0.62 0.14 0.00 0.56 0.00 0.00 36.38 36.37 1jyc s VAL 170 CO 0.01 -0.22 1.09 -0.83 -0.31 0.00 0.00 175.10 174.84 1jyc s GLY 171 N -1.14 -0.19 0.21 2.32 0.00 -1.11 0.80 107.32 108.20 1jyc s GLY 171 Ca -0.12 2.17 -0.01 0.00 0.00 0.00 0.00 44.72 46.76 1jyc s GLY 171 CO 0.04 1.01 0.16 0.50 0.00 0.00 0.00 173.10 174.80 1jyc s ARG 172 N -1.20 1.24 -0.11 2.90 0.52 -0.64 -2.44 118.95 119.22 1jyc s ARG 172 Ca 0.01 -1.62 -0.04 0.00 -0.52 0.00 0.00 55.73 53.56 1jyc s ARG 172 Cb -0.01 0.28 0.05 0.00 0.52 0.00 0.00 34.95 35.80 1jyc s ARG 172 CO -0.01 -0.41 0.21 0.00 0.02 0.00 0.00 175.30 175.11 1jyc s ALA 173 N -4.13 -0.37 0.02 2.13 0.00 -0.44 -1.60 121.76 117.37 1jyc s ALA 173 Ca 0.38 0.76 0.07 0.00 0.00 0.00 0.00 51.96 53.17 1jyc s ALA 173 Cb 0.06 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 1jyc s ALA 173 CO 0.12 -0.57 -0.19 -0.51 0.00 0.00 0.00 175.76 174.61 1jyc s LEU 174 N 2.25 2.52 0.31 0.00 1.02 -0.83 -0.65 118.68 123.31 1jyc s LEU 174 Ca 0.01 -0.42 -0.29 0.00 0.02 0.00 0.00 54.13 53.45 1jyc s LEU 174 Cb -0.12 -1.48 -0.10 0.00 0.02 0.00 0.00 46.19 44.51 1jyc s LEU 174 CO -0.07 0.28 1.25 0.12 0.02 0.00 0.00 176.35 177.95 1jyc s PHE 175 N -0.85 3.20 0.16 0.29 5.36 -0.11 -1.40 117.98 124.63 1jyc s PHE 175 Ca 0.13 1.47 -0.16 0.00 -0.96 0.00 0.00 56.93 57.42 1jyc s PHE 175 Cb -0.10 -3.57 0.07 0.00 -0.34 0.00 0.00 43.02 39.08 1jyc s PHE 175 CO 0.04 -1.53 1.73 -0.92 -1.46 0.00 0.00 175.22 173.08 1jyc h TYR 176 N 3.63 0.11 -3.80 10.12 5.03 -1.50 -3.43 116.97 127.13 1jyc h TYR 176 Ca -0.48 0.02 -0.48 0.00 2.58 0.00 0.00 58.73 60.37 1jyc h TYR 176 Cb 1.22 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.49 1jyc h TYR 176 CO 0.57 0.02 0.36 0.00 -1.32 0.00 0.00 178.16 177.79 1jyc s ALA 177 N -6.17 3.30 0.65 1.82 0.00 -1.26 -5.02 121.76 115.08 1jyc s ALA 177 Ca -0.13 0.62 -0.17 0.00 0.00 0.00 0.00 51.96 52.28 1jyc s ALA 177 Cb 0.13 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 20.03 1jyc s ALA 177 CO 0.71 0.14 1.19 -2.14 0.00 0.00 0.00 175.76 175.67 1jyc s PRO 178 N -1.52 2.64 -0.08 0.00 0.02 -1.26 -4.83 135.00 129.97 1jyc s PRO 178 Ca 0.45 1.73 0.05 0.00 0.02 0.00 0.00 61.00 63.25 1jyc s PRO 178 Cb -0.24 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.37 1jyc s PRO 178 CO 0.30 -1.45 -0.23 0.08 -0.33 0.00 0.00 177.00 175.38 1jyc s VAL 179 N -1.85 2.18 -0.69 3.83 1.01 0.10 -4.95 120.40 120.03 1jyc s VAL 179 Ca 0.75 -1.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 1jyc s VAL 179 Cb -0.28 -1.82 0.06 0.00 0.00 0.00 0.00 36.38 34.33 1jyc s VAL 179 CO 0.39 0.56 1.07 -2.28 0.00 0.00 0.00 175.10 174.84 1jyc s HIS 180 N 0.08 2.55 -0.22 5.22 2.46 -1.26 -1.33 115.29 122.79 1jyc s HIS 180 Ca -0.10 -0.41 0.19 0.00 0.47 0.00 0.00 55.06 55.21 1jyc s HIS 180 Cb -0.16 -4.40 0.05 0.00 -0.13 0.00 0.00 32.58 27.94 1jyc s HIS 180 CO 0.06 -1.79 1.23 0.97 -2.47 0.00 0.00 174.74 172.74 1jyc h ILE 181 N 6.00 0.39 -2.15 0.89 6.09 -1.68 -3.47 117.51 123.57 1jyc h ILE 181 Ca -0.28 -1.63 -0.04 0.00 -1.37 0.00 0.00 64.86 61.54 1jyc h ILE 181 Cb 1.06 2.02 -0.18 0.00 0.47 0.00 0.00 36.82 40.19 1jyc h ILE 181 CO 1.21 0.22 0.21 -1.66 -3.07 0.00 0.00 178.15 175.07 1jyc s TRP 182 N -3.10 -0.62 0.04 2.19 1.48 -1.25 -4.84 118.94 112.84 1jyc s TRP 182 Ca 0.02 0.96 0.03 0.00 -1.06 0.00 0.00 56.10 56.05 1jyc s TRP 182 Cb 0.08 0.44 -0.02 0.00 -1.16 0.00 0.00 33.47 32.81 1jyc s TRP 182 CO 0.76 -0.64 -0.10 -2.00 -4.06 0.00 0.00 176.95 170.91 1jyc s GLU 183 N -1.64 0.65 0.16 3.25 2.12 -1.26 -4.71 118.70 117.27 1jyc s GLU 183 Ca -0.08 -0.69 -0.16 0.00 0.36 0.00 0.00 54.97 54.40 1jyc s GLU 183 Cb -0.00 -0.55 0.10 0.00 0.26 0.00 0.00 34.13 33.93 1jyc s GLU 183 CO 0.05 0.12 1.72 0.77 -0.54 0.00 0.00 175.26 177.39 1jyc h SER 184 N 4.83 -0.03 -2.65 -1.70 0.02 -2.02 -3.09 113.55 108.92 1jyc h SER 184 Ca -0.36 0.07 -0.79 0.00 -0.84 0.00 0.00 61.79 59.88 1jyc h SER 184 Cb 1.19 0.10 -0.29 0.00 0.14 0.00 0.00 62.40 63.54 1jyc h SER 184 CO 0.43 0.02 0.71 -1.54 -1.14 0.00 0.00 176.83 175.31 1jyc n SER 185 N -5.12 6.45 -4.04 3.07 3.41 -1.26 -4.97 113.62 111.16 1jyc n SER 185 Ca 0.02 -3.51 -0.31 0.00 -0.26 0.00 0.00 58.87 54.81 1jyc n SER 185 Cb 0.18 -1.17 -0.16 0.00 -0.26 0.00 0.00 64.21 62.80 1jyc n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jyc s ALA 186 N -3.25 2.16 0.12 7.33 0.00 -1.17 -2.48 121.76 124.46 1jyc s ALA 186 Ca 0.35 -1.27 -0.19 0.00 0.00 0.00 0.00 51.96 50.85 1jyc s ALA 186 Cb 0.11 -1.28 -0.06 0.00 0.00 0.00 0.00 23.12 21.88 1jyc s ALA 186 CO 0.02 -0.72 1.73 0.28 0.00 0.00 0.00 175.76 177.07 1jyc h VAL 187 N 6.31 1.10 -3.47 0.00 2.07 -1.19 -3.44 116.25 117.63 1jyc h VAL 187 Ca -0.32 -0.26 -0.22 0.00 0.82 0.00 0.00 66.70 66.72 1jyc h VAL 187 Cb 1.10 0.84 -0.29 0.00 -1.52 0.00 0.00 31.29 31.42 1jyc h VAL 187 CO 0.52 0.10 -0.62 -0.69 0.02 0.00 0.00 177.57 176.89 1jyc s VAL 188 N -5.94 -0.02 -0.02 2.57 1.01 -1.16 -4.87 120.40 111.97 1jyc s VAL 188 Ca -0.13 0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1jyc s VAL 188 Cb 0.08 -0.15 0.03 0.00 0.00 0.00 0.00 36.38 36.34 1jyc s VAL 188 CO 0.70 0.02 0.02 0.00 0.00 0.00 0.00 175.10 175.85 1jyc s ALA 189 N 0.37 0.11 0.14 5.51 0.00 -1.26 -1.43 121.76 125.21 1jyc s ALA 189 Ca -0.03 0.26 -0.15 0.00 0.00 0.00 0.00 51.96 52.05 1jyc s ALA 189 Cb -0.04 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1jyc s ALA 189 CO -0.01 -0.09 0.39 -1.54 0.00 0.00 0.00 175.76 174.50 1jyc s SER 190 N 0.97 -0.16 0.01 0.00 1.04 -0.64 0.02 113.70 114.94 1jyc s SER 190 Ca -0.08 -0.46 -0.22 0.00 0.48 0.00 0.00 55.95 55.66 1jyc s SER 190 Cb -0.12 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.52 1jyc s SER 190 CO -0.03 -0.89 0.49 0.72 0.98 0.00 0.00 173.24 174.52 1jyc s PHE 191 N -3.85 -0.40 -0.03 5.02 -0.12 -0.55 -0.99 117.98 117.06 1jyc s PHE 191 Ca 0.06 0.54 -0.02 0.00 -0.05 0.00 0.00 56.93 57.46 1jyc s PHE 191 Cb 0.02 0.28 0.02 0.00 -0.63 0.00 0.00 43.02 42.71 1jyc s PHE 191 CO -0.08 -0.57 0.08 -1.83 -0.05 0.00 0.00 175.22 172.77 1jyc s GLU 192 N -1.90 0.07 0.05 1.99 -1.05 -0.16 -2.11 118.70 115.58 1jyc s GLU 192 Ca -0.08 0.15 0.07 0.00 -0.15 0.00 0.00 54.97 54.96 1jyc s GLU 192 Cb -0.01 -0.04 -0.03 0.00 -0.44 0.00 0.00 34.13 33.61 1jyc s GLU 192 CO 0.02 -0.06 -0.20 0.00 0.95 0.00 0.00 175.26 175.98 1jyc s ALA 193 N 0.37 1.68 -0.04 -0.84 0.00 -0.20 -1.53 121.76 121.20 1jyc s ALA 193 Ca -0.03 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.81 1jyc s ALA 193 Cb -0.04 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1jyc s ALA 193 CO -0.01 0.36 0.16 0.99 0.00 0.00 0.00 175.76 177.26 1jyc s THR 194 N -0.87 0.03 -0.14 0.00 2.01 -0.65 -0.35 115.64 115.67 1jyc s THR 194 Ca 0.06 -0.27 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 1jyc s THR 194 Cb -0.09 -0.32 0.07 0.00 0.01 0.00 0.00 72.50 72.18 1jyc s THR 194 CO 0.02 -0.15 0.72 0.72 -0.69 0.00 0.00 174.62 175.25 1jyc s PHE 195 N -0.49 -0.69 -0.11 4.92 -0.71 -0.84 -0.91 117.98 119.15 1jyc s PHE 195 Ca -0.06 1.40 -0.02 0.00 -1.04 0.00 0.00 56.93 57.21 1jyc s PHE 195 Cb -0.04 0.36 -0.03 0.00 -1.21 0.00 0.00 43.02 42.10 1jyc s PHE 195 CO 0.01 -0.50 -0.02 0.95 -1.34 0.00 0.00 175.22 174.32 1jyc s THR 196 N -0.56 4.11 0.26 -4.49 -4.23 -0.88 -1.16 115.64 108.69 1jyc s THR 196 Ca -0.06 -0.31 0.05 0.00 -1.18 0.00 0.00 61.69 60.19 1jyc s THR 196 Cb -0.02 -2.75 -0.06 0.00 1.34 0.00 0.00 72.50 71.02 1jyc s THR 196 CO 0.06 0.57 -0.03 0.72 -0.54 0.00 0.00 174.62 175.40 1jyc s PHE 197 N -0.46 1.79 -0.27 3.99 -0.12 -0.86 -0.68 117.98 121.37 1jyc s PHE 197 Ca 0.08 -0.81 -0.04 0.00 -0.05 0.00 0.00 56.93 56.10 1jyc s PHE 197 Cb -0.12 -1.04 0.09 0.00 -0.63 0.00 0.00 43.02 41.32 1jyc s PHE 197 CO 0.02 0.12 0.12 -1.17 -0.05 0.00 0.00 175.22 174.27 1jyc s LEU 198 N -3.39 0.50 -0.43 -1.99 2.96 0.10 -1.46 118.68 114.96 1jyc s LEU 198 Ca 0.29 -1.16 -0.14 0.00 -0.22 0.00 0.00 54.13 52.91 1jyc s LEU 198 Cb 0.05 -0.32 0.05 0.00 0.50 0.00 0.00 46.19 46.47 1jyc s LEU 198 CO 0.11 -0.42 0.32 -0.63 -1.32 0.00 0.00 176.35 174.41 1jyc s ILE 199 N 2.11 4.96 -0.04 6.68 1.01 -1.26 -3.00 121.20 131.65 1jyc s ILE 199 Ca 0.08 -1.00 0.05 0.00 0.00 0.00 0.00 60.65 59.77 1jyc s ILE 199 Cb -0.16 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 1jyc s ILE 199 CO -0.32 -0.45 -0.18 -0.75 0.00 0.00 0.00 174.94 173.24 1jyc s LYS 200 N 1.60 2.42 -0.02 2.79 2.36 -1.25 -1.91 119.74 125.73 1jyc s LYS 200 Ca 0.04 -0.77 0.01 0.00 -2.55 0.00 0.00 55.97 52.70 1jyc s LYS 200 Cb -0.22 -2.29 0.02 0.00 -1.05 0.00 0.00 37.83 34.29 1jyc s LYS 200 CO 0.07 0.59 -0.02 0.45 1.55 0.00 0.00 175.35 177.99 1jyc s SER 201 N -0.65 0.47 -0.15 1.43 0.15 -1.26 0.01 113.70 113.71 1jyc s SER 201 Ca 0.10 -0.05 -0.26 0.00 0.70 0.00 0.00 55.95 56.44 1jyc s SER 201 Cb -0.11 -0.20 -0.23 0.00 -1.71 0.00 0.00 66.02 63.78 1jyc s SER 201 CO 0.00 -0.05 0.63 1.55 1.20 0.00 0.00 173.24 176.57 1jyc h PRO 202 N 6.89 0.00 0.00 5.44 0.13 -1.96 -3.48 132.00 139.01 1jyc h PRO 202 Ca -0.38 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.58 1jyc h PRO 202 Cb 1.15 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.37 1jyc h PRO 202 CO 0.49 0.92 0.04 -0.40 -0.23 0.00 0.00 178.00 178.82 1jyc n ASP 203 N -4.59 -1.68 0.00 1.44 5.68 -1.26 -4.98 116.55 111.16 1jyc n ASP 203 Ca -0.13 -0.75 0.00 0.00 -0.50 0.00 0.00 54.79 53.41 1jyc n ASP 203 Cb 0.48 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 1jyc n ASP 203 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1jyc n SER 204 N -3.89 0.00 -4.59 -1.12 7.64 -1.26 -4.63 113.62 105.78 1jyc n SER 204 Ca 0.07 0.46 -0.34 0.00 1.01 0.00 0.00 58.87 60.07 1jyc n SER 204 Cb 0.26 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.36 1jyc n SER 204 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1jyc s HIS 205 N -0.92 3.03 0.59 1.43 5.65 -1.26 -5.11 115.29 118.71 1jyc s HIS 205 Ca 0.00 -0.03 -0.14 0.00 0.25 0.00 0.00 55.06 55.14 1jyc s HIS 205 Cb 0.00 -1.81 -0.04 0.00 -1.18 0.00 0.00 32.58 29.54 1jyc s HIS 205 CO 0.00 0.26 1.03 -1.25 -0.65 0.00 0.00 174.74 174.12 1jyc s PRO 206 N -0.45 3.51 -0.23 2.88 0.04 -1.26 -4.34 135.00 135.14 1jyc s PRO 206 Ca 0.07 0.98 -0.28 0.00 0.04 0.00 0.00 61.00 61.81 1jyc s PRO 206 Cb -0.12 -2.07 0.14 0.00 0.04 0.00 0.00 34.50 32.50 1jyc s PRO 206 CO 0.02 -0.64 1.12 0.00 0.04 0.00 0.00 177.00 177.54 1jyc s ALA 207 N -2.78 -2.01 0.00 8.56 0.00 -1.19 -4.26 121.76 120.07 1jyc s ALA 207 Ca 0.59 1.73 0.00 0.00 0.00 0.00 0.00 51.96 54.28 1jyc s ALA 207 Cb -0.13 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.79 1jyc s ALA 207 CO 0.42 -0.25 0.00 -0.25 0.00 0.00 0.00 175.76 175.69 1jyc n ASP 208 N 1.28 0.86 0.00 0.00 9.92 0.50 -3.32 116.55 125.79 1jyc n ASP 208 Ca -0.09 -0.31 0.00 0.00 -0.53 0.00 0.00 54.79 53.86 1jyc n ASP 208 Cb 0.57 0.79 0.00 0.00 -0.64 0.00 0.00 41.12 41.84 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 1.05 1.11 3.23 0.44 0.00 -1.23 -2.26 105.19 107.53 1jyc n GLY 209 Ca 0.00 -2.07 -0.16 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.07 1.23 -0.16 -0.61 1.01 -0.95 -2.88 121.20 117.77 1jyc s ILE 210 Ca 0.00 -1.79 -0.17 0.00 0.00 0.00 0.00 60.65 58.69 1jyc s ILE 210 Cb 0.00 -1.58 0.04 0.00 0.01 0.00 0.00 42.46 40.94 1jyc s ILE 210 CO 0.00 -0.52 0.47 0.00 0.00 0.00 0.00 174.94 174.88 1jyc s ALA 211 N -2.48 -1.16 -0.14 9.38 0.00 -0.20 0.83 121.76 128.00 1jyc s ALA 211 Ca 0.10 1.25 -0.14 0.00 0.00 0.00 0.00 51.96 53.17 1jyc s ALA 211 Cb -0.03 -0.67 -0.05 0.00 0.00 0.00 0.00 23.12 22.37 1jyc s ALA 211 CO 0.02 -0.23 0.30 0.12 0.00 0.00 0.00 175.76 175.97 1jyc s PHE 212 N 0.07 3.51 0.06 0.00 5.36 -0.50 -1.13 117.98 125.35 1jyc s PHE 212 Ca -0.01 0.65 -0.03 0.00 -0.96 0.00 0.00 56.93 56.58 1jyc s PHE 212 Cb -0.03 -2.31 -0.03 0.00 -0.34 0.00 0.00 43.02 40.31 1jyc s PHE 212 CO 0.01 0.33 0.02 -0.59 -1.46 0.00 0.00 175.22 173.53 1jyc s PHE 213 N 0.15 0.44 -0.04 10.12 -0.71 -0.36 -0.77 117.98 126.82 1jyc s PHE 213 Ca 0.18 -0.96 0.05 0.00 -1.04 0.00 0.00 56.93 55.16 1jyc s PHE 213 Cb -0.13 -0.31 -0.01 0.00 -1.21 0.00 0.00 43.02 41.36 1jyc s PHE 213 CO 0.05 -0.41 -0.17 0.42 -1.34 0.00 0.00 175.22 173.77 1jyc s ILE 214 N -3.88 1.41 0.36 -4.49 1.01 0.02 -1.36 121.20 114.27 1jyc s ILE 214 Ca 0.06 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 1jyc s ILE 214 Cb 0.07 -1.21 0.01 0.00 0.01 0.00 0.00 42.46 41.35 1jyc s ILE 214 CO -0.10 0.41 0.53 -1.54 0.00 0.00 0.00 174.94 174.24 1jyc n SER 215 N 3.01 -1.50 -4.77 3.58 3.41 -0.45 -2.06 113.62 114.85 1jyc n SER 215 Ca -0.17 -2.88 -0.37 0.00 -0.26 0.00 0.00 58.87 55.18 1jyc n SER 215 Cb 0.53 2.74 -0.00 0.00 -0.26 0.00 0.00 64.21 67.21 1jyc n SER 215 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jyc s ASN 216 N -3.19 6.11 0.21 4.04 4.22 -1.23 -1.28 114.94 123.83 1jyc s ASN 216 Ca 0.28 2.37 -0.18 0.00 -2.14 0.00 0.00 52.86 53.19 1jyc s ASN 216 Cb -0.01 -2.61 0.20 0.00 1.28 0.00 0.00 41.25 40.11 1jyc s ASN 216 CO 0.20 -0.96 1.57 0.40 -2.04 0.00 0.00 177.10 176.27 1jyc h ILE 217 N 1.90 0.10 -0.13 0.54 2.04 -1.85 -1.86 117.51 118.23 1jyc h ILE 217 Ca -0.49 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1jyc h ILE 217 Cb 1.25 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1jyc h ILE 217 CO 0.60 0.00 0.03 -0.90 0.00 0.00 0.00 178.15 177.89 1jyc n ASP 218 N -5.47 2.25 -4.74 1.72 5.75 -1.26 -4.85 116.55 109.95 1jyc n ASP 218 Ca 0.08 -2.22 -0.37 0.00 -0.01 0.00 0.00 54.79 52.28 1jyc n ASP 218 Cb 0.38 -0.54 0.06 0.00 -1.03 0.00 0.00 41.12 39.99 1jyc n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1jyc s SER 219 N 0.04 4.73 0.13 -1.12 0.15 -0.70 -5.04 113.70 111.89 1jyc s SER 219 Ca 0.11 2.57 -0.10 0.00 0.70 0.00 0.00 55.95 59.22 1jyc s SER 219 Cb 0.08 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1jyc s SER 219 CO 0.03 -1.92 0.28 -0.94 1.20 0.00 0.00 173.24 171.89 1jyc s SER 220 N -1.45 0.02 0.04 5.45 1.04 -1.26 -5.08 113.70 112.45 1jyc s SER 220 Ca 0.81 -0.69 -0.30 0.00 0.48 0.00 0.00 55.95 56.25 1jyc s SER 220 Cb -0.36 0.41 -0.08 0.00 0.10 0.00 0.00 66.02 66.09 1jyc s SER 220 CO 0.38 -0.84 1.86 -0.63 0.98 0.00 0.00 173.24 175.00 1jyc s ILE 221 N -3.90 3.04 0.59 -1.02 1.01 -1.26 -4.97 121.20 114.69 1jyc s ILE 221 Ca 0.10 0.19 -0.18 0.00 0.00 0.00 0.00 60.65 60.76 1jyc s ILE 221 Cb 0.03 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1jyc s ILE 221 CO -0.06 -0.01 1.15 -2.84 0.00 0.00 0.00 174.94 173.18 1jyc s PRO 222 N 3.94 3.09 0.15 2.79 0.02 -1.26 -4.95 135.00 138.78 1jyc s PRO 222 Ca 0.83 1.63 -0.31 0.00 0.02 0.00 0.00 61.00 63.18 1jyc s PRO 222 Cb -0.41 -1.97 -0.08 0.00 0.02 0.00 0.00 34.50 32.06 1jyc s PRO 222 CO 0.38 -1.07 1.34 -1.12 -0.33 0.00 0.00 177.00 176.20 1jyc s SER 223 N -1.89 6.88 -0.17 2.53 0.01 -1.26 -2.46 113.70 117.34 1jyc s SER 223 Ca 0.73 2.33 0.00 0.00 1.31 0.00 0.00 55.95 60.32 1jyc s SER 223 Cb -0.25 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.38 1jyc s SER 223 CO 0.32 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1jyc n GLY 224 N 2.97 0.50 0.90 3.44 0.00 -1.26 -4.88 105.19 106.86 1jyc n GLY 224 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.20 2.55 -4.19 1.61 3.41 -1.03 -4.82 113.62 111.34 1jyc n SER 225 Ca -0.02 -1.95 -0.28 0.00 -0.26 0.00 0.00 58.87 56.37 1jyc n SER 225 Cb 0.14 -0.49 0.18 0.00 -0.26 0.00 0.00 64.21 63.78 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 -0.17 2.00 0.00 6.66 -4.23 -1.26 0.39 115.64 119.03 1jyc s THR 226 Ca 0.00 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 1jyc s THR 226 Cb 0.00 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1jyc s THR 226 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1jyc n GLY 227 N -3.54 3.30 0.11 3.99 0.00 -0.13 -2.67 105.19 106.26 1jyc n GLY 227 Ca 0.17 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 46.07 1jyc n GLY 227 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1jyc n ARG 228 N 14.00 0.07 -0.02 1.61 1.85 -1.26 -1.87 116.66 131.05 1jyc n ARG 228 Ca 0.00 0.52 0.13 0.00 -1.00 0.00 0.00 57.85 57.50 1jyc n ARG 228 Cb 0.00 -1.92 0.42 0.00 -1.05 0.00 0.00 32.46 29.91 1jyc n ARG 228 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1jyc n LEU 229 N -1.88 1.85 -1.93 2.89 4.77 -1.09 -4.95 117.00 116.65 1jyc n LEU 229 Ca -0.01 -0.64 -0.06 0.00 -0.03 0.00 0.00 56.01 55.27 1jyc n LEU 229 Cb 0.20 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1jyc n LEU 229 CO 0.05 0.32 -0.06 0.18 -1.33 0.00 0.00 177.39 176.55 1jyc n LEU 230 N 0.44 -0.48 -1.81 2.23 4.77 -0.78 -1.02 117.00 120.35 1jyc n LEU 230 Ca 0.18 0.27 -0.18 0.00 -0.03 0.00 0.00 56.01 56.25 1jyc n LEU 230 Cb 0.40 -1.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.09 1jyc n LEU 230 CO 0.16 -0.16 -0.21 0.61 -1.33 0.00 0.00 177.39 176.46 1jyc n GLY 231 N -0.42 0.41 0.00 -0.72 0.00 0.16 -4.21 105.19 100.41 1jyc n GLY 231 Ca -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.39 0.00 -4.22 0.99 4.77 -0.19 -4.60 117.00 111.36 1jyc n LEU 232 Ca -0.20 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.52 1jyc n LEU 232 Cb 0.64 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.58 1jyc n LEU 232 CO 0.26 0.00 -0.52 -0.36 -1.33 0.00 0.00 177.39 175.44 1jyc s PHE 233 N -1.82 1.79 0.20 -1.77 0.08 -1.18 -4.86 117.98 110.43 1jyc s PHE 233 Ca 0.00 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 56.70 1jyc s PHE 233 Cb 0.00 -1.12 0.14 0.00 -0.57 0.00 0.00 43.02 41.48 1jyc s PHE 233 CO 0.00 0.02 1.50 -1.00 -0.10 0.00 0.00 175.22 175.64 1jyc h PRO 234 N 5.32 0.36 0.00 0.24 0.13 -1.92 -3.41 132.00 132.72 1jyc h PRO 234 Ca -0.40 -0.26 -0.26 0.00 -0.87 0.00 0.00 66.00 64.21 1jyc h PRO 234 Cb 1.15 0.05 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1jyc h PRO 234 CO 0.46 0.89 -0.24 -0.40 -0.23 0.00 0.00 178.00 178.48 1jyc n ASP 235 N -3.87 0.12 -2.10 1.44 5.68 -1.26 -4.82 116.55 111.74 1jyc n ASP 235 Ca -0.03 -2.12 -0.27 0.00 -0.50 0.00 0.00 54.79 51.87 1jyc n ASP 235 Cb 0.65 0.74 0.06 0.00 -1.14 0.00 0.00 41.12 41.44 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 -1.89 5.55 1.53 2.12 0.00 -1.26 -4.77 120.51 121.79 1jyc n ALA 236 Ca -0.07 -3.60 0.14 0.00 0.00 0.00 0.00 53.44 49.91 1jyc n ALA 236 Cb 0.31 -0.99 0.55 0.00 0.00 0.00 0.00 19.45 19.33 1jyc n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59