#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyc s ALA 2 N 0.00 3.12 -0.97 0.62 0.00 -1.26 -4.86 121.76 118.42 2jyc s ALA 2 Ca 0.00 -2.67 -0.05 0.00 0.00 0.00 0.00 51.96 49.24 2jyc s ALA 2 Cb 0.00 -4.53 0.24 0.00 0.00 0.00 0.00 23.12 18.83 2jyc s ALA 2 CO 0.00 -3.38 0.89 -1.54 0.00 0.00 0.00 175.76 171.74 2jyc s SER 3 N 4.41 6.50 -0.49 0.00 1.04 -1.26 -4.91 113.70 118.98 2jyc s SER 3 Ca 0.49 -3.62 0.03 0.00 0.48 0.00 0.00 55.95 53.33 2jyc s SER 3 Cb 0.01 -2.03 0.14 0.00 0.10 0.00 0.00 66.02 64.24 2jyc s SER 3 CO -0.01 -0.24 0.27 -0.44 0.98 0.00 0.00 173.24 173.80 2jyc s SER 4 N 0.50 3.95 -0.99 7.02 0.01 -1.26 -5.04 113.70 117.89 2jyc s SER 4 Ca 0.28 -2.90 -0.20 0.00 1.31 0.00 0.00 55.95 54.43 2jyc s SER 4 Cb -0.09 -1.31 0.09 0.00 0.21 0.00 0.00 66.02 64.93 2jyc s SER 4 CO -0.10 -0.23 1.30 -0.76 0.41 0.00 0.00 173.24 173.86 2jyc s LEU 5 N -0.07 4.31 -0.44 2.44 1.43 -1.26 -4.85 118.68 120.23 2jyc s LEU 5 Ca 0.18 -1.82 0.02 0.00 -1.03 0.00 0.00 54.13 51.49 2jyc s LEU 5 Cb -0.22 -2.48 0.13 0.00 0.03 0.00 0.00 46.19 43.65 2jyc s LEU 5 CO -0.02 -1.26 0.23 0.20 0.23 0.00 0.00 176.35 175.74 2jyc s ASN 6 N 4.24 3.69 0.09 2.29 0.01 -1.26 -5.09 114.94 118.90 2jyc s ASN 6 Ca 0.40 -2.61 0.10 0.00 -0.71 0.00 0.00 52.86 50.03 2jyc s ASN 6 Cb -0.02 -1.06 -0.03 0.00 0.41 0.00 0.00 41.25 40.55 2jyc s ASN 6 CO -0.09 -0.27 -0.25 -0.70 -1.51 0.00 0.00 177.10 174.28 2jyc s GLU 7 N 0.36 1.52 0.04 -0.60 -6.30 -1.26 -4.98 118.70 107.48 2jyc s GLU 7 Ca 0.17 -1.19 0.00 0.00 -2.50 0.00 0.00 54.97 51.45 2jyc s GLU 7 Cb -0.24 -1.83 0.00 0.00 0.00 0.00 0.00 34.13 32.05 2jyc s GLU 7 CO 0.00 0.45 0.00 -3.47 0.02 0.00 0.00 175.26 172.26 2jyc n ASP 8 N 1.36 -5.52 -4.78 -1.70 2.03 -1.26 -4.99 116.55 101.68 2jyc n ASP 8 Ca -0.18 0.81 -0.36 0.00 0.52 0.00 0.00 54.79 55.58 2jyc n ASP 8 Cb 0.53 -2.99 -0.03 0.00 -0.72 0.00 0.00 41.12 37.90 2jyc n ASP 8 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2jyc s PRO 9 N -1.53 4.06 -0.42 -0.67 0.04 -1.26 -5.02 135.00 130.20 2jyc s PRO 9 Ca 0.00 1.54 0.02 0.00 0.04 0.00 0.00 61.00 62.60 2jyc s PRO 9 Cb 0.00 -2.47 0.13 0.00 0.04 0.00 0.00 34.50 32.20 2jyc s PRO 9 CO 0.00 -0.24 0.22 -2.00 0.04 0.00 0.00 177.00 175.02 2jyc s GLU 10 N -2.61 1.25 0.39 4.56 -6.30 -1.26 -5.05 118.70 109.68 2jyc s GLU 10 Ca 0.60 -1.92 -0.12 0.00 -2.50 0.00 0.00 54.97 51.02 2jyc s GLU 10 Cb -0.22 -2.35 0.05 0.00 0.00 0.00 0.00 34.13 31.60 2jyc s GLU 10 CO 0.28 -1.13 0.74 0.20 0.02 0.00 0.00 175.26 175.36 2jyc s GLY 11 N 0.49 0.65 -0.13 -1.50 0.00 -1.26 -5.02 107.32 100.55 2jyc s GLY 11 Ca 0.17 -0.95 -0.23 0.00 0.00 0.00 0.00 44.72 43.70 2jyc s GLY 11 CO -0.02 -0.47 0.65 0.23 0.00 0.00 0.00 173.10 173.49 2jyc h SER 12 N 2.01 -0.01 0.00 1.64 0.87 -1.98 -3.47 113.55 112.61 2jyc h SER 12 Ca -0.33 -0.77 0.00 0.00 -1.23 0.00 0.00 61.79 59.46 2jyc h SER 12 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2jyc h SER 12 CO 0.42 0.86 0.00 0.54 -0.53 0.00 0.00 176.83 178.12 2jyc n ARG 13 N -4.66 0.00 -3.35 2.24 5.12 -1.26 -4.86 116.66 109.89 2jyc n ARG 13 Ca -0.08 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.45 2jyc n ARG 13 Cb 0.37 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.60 2jyc n ARG 13 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2jyc s ILE 14 N -0.92 5.16 -0.20 0.55 1.01 -1.24 0.27 121.20 125.84 2jyc s ILE 14 Ca 0.00 0.71 -0.05 0.00 0.00 0.00 0.00 60.65 61.32 2jyc s ILE 14 Cb 0.00 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 2jyc s ILE 14 CO 0.00 0.19 -0.01 -0.89 0.00 0.00 0.00 174.94 174.23 2jyc s THR 15 N 1.70 3.81 -0.25 2.92 2.01 0.14 -4.91 115.64 121.06 2jyc s THR 15 Ca 0.19 -0.36 -0.16 0.00 0.31 0.00 0.00 61.69 61.67 2jyc s THR 15 Cb -0.15 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 2jyc s THR 15 CO 0.09 0.43 0.40 -0.31 -0.69 0.00 0.00 174.62 174.54 2jyc s TYR 16 N 1.10 3.28 -0.02 4.92 2.02 -1.26 -0.13 117.35 127.26 2jyc s TYR 16 Ca 0.02 0.50 0.03 0.00 -0.37 0.00 0.00 57.07 57.25 2jyc s TYR 16 Cb -0.14 -2.58 0.00 0.00 -0.40 0.00 0.00 41.96 38.83 2jyc s TYR 16 CO 0.01 -0.18 -0.10 0.08 -1.57 0.00 0.00 175.55 173.79 2jyc s VAL 17 N 1.92 0.81 -0.11 0.71 1.01 0.47 -4.96 120.40 120.26 2jyc s VAL 17 Ca 0.17 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 2jyc s VAL 17 Cb -0.15 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 2jyc s VAL 17 CO 0.09 0.25 0.07 -1.59 0.00 0.00 0.00 175.10 173.92 2jyc s LYS 18 N 0.11 3.26 0.00 2.72 -2.85 -1.26 -1.34 119.74 120.37 2jyc s LYS 18 Ca -0.02 -0.28 0.00 0.00 -1.00 0.00 0.00 55.97 54.68 2jyc s LYS 18 Cb -0.08 -3.00 0.00 0.00 -2.06 0.00 0.00 37.83 32.69 2jyc s LYS 18 CO 0.00 0.71 0.00 0.41 0.10 0.00 0.00 175.35 176.57 2jyc n GLY 19 N 2.16 0.01 3.61 0.59 0.00 -1.26 -4.95 105.19 105.35 2jyc n GLY 19 Ca -0.19 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 2jyc n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jyc s ASP 20 N -4.00 5.23 0.00 1.61 2.15 -1.26 -4.83 116.67 115.56 2jyc s ASP 20 Ca 0.00 0.04 0.24 0.00 0.43 0.00 0.00 52.55 53.26 2jyc s ASP 20 Cb 0.00 -1.73 0.14 0.00 -0.30 0.00 0.00 42.92 41.04 2jyc s ASP 20 CO 0.00 0.25 1.22 -0.11 -0.17 0.00 0.00 175.17 176.36 2jyc n LEU 21 N 2.99 2.77 -0.03 -1.34 7.94 -1.26 -4.16 117.00 123.91 2jyc n LEU 21 Ca -0.18 -0.95 -0.13 0.00 -1.11 0.00 0.00 56.01 53.65 2jyc n LEU 21 Cb 0.53 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.34 2jyc n LEU 21 CO 0.32 0.47 -0.74 0.49 -1.11 0.00 0.00 177.39 176.82 2jyc n PHE 22 N 1.03 0.86 -0.16 1.96 3.01 -1.26 -3.86 117.46 119.05 2jyc n PHE 22 Ca 0.13 0.26 0.05 0.00 1.01 0.00 0.00 57.45 58.90 2jyc n PHE 22 Cb 0.57 -1.14 0.26 0.00 -0.01 0.00 0.00 39.48 39.15 2jyc n PHE 22 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jyc n ALA 23 N -2.74 3.31 -1.68 4.37 0.00 -1.26 -4.99 120.51 117.52 2jyc n ALA 23 Ca -0.25 -1.20 -0.38 0.00 0.00 0.00 0.00 53.44 51.61 2jyc n ALA 23 Cb 1.06 -1.07 0.05 0.00 0.00 0.00 0.00 19.45 19.49 2jyc n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jyc n PRO 25 N -1.11 0.78 0.12 0.00 -0.02 -1.26 -4.90 135.00 128.61 2jyc n PRO 25 Ca 0.13 0.30 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 2jyc n PRO 25 Cb 0.46 -1.95 0.46 0.00 -0.02 0.00 0.00 33.50 32.45 2jyc n PRO 25 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2jyc n LYS 26 N -0.49 0.22 0.13 -0.52 -0.00 -1.26 -2.18 118.16 114.06 2jyc n LYS 26 Ca 0.12 0.35 0.13 0.00 -0.00 0.00 0.00 58.31 58.91 2jyc n LYS 26 Cb 0.46 -1.85 0.30 0.00 -0.00 0.00 0.00 35.03 33.94 2jyc n LYS 26 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2jyc h THR 27 N 0.00 0.00 -3.83 0.58 1.35 -1.90 -3.41 112.91 105.69 2jyc h THR 27 Ca 0.00 -0.64 -0.64 0.00 -0.55 0.00 0.00 66.41 64.58 2jyc h THR 27 Cb 0.50 1.57 -0.17 0.00 -1.73 0.00 0.00 68.15 68.33 2jyc h THR 27 CO 0.00 0.00 -0.52 -1.81 -0.25 0.00 0.00 175.52 172.94 2jyc s ASP 28 N -4.99 5.97 0.63 5.36 1.11 -0.93 -4.30 116.67 119.53 2jyc s ASP 28 Ca 0.09 -0.00 -0.09 0.00 0.18 0.00 0.00 52.55 52.72 2jyc s ASP 28 Cb 0.10 -2.10 -0.01 0.00 1.07 0.00 0.00 42.92 41.98 2jyc s ASP 28 CO 0.64 -0.03 1.00 -0.44 1.18 0.00 0.00 175.17 177.52 2jyc s SER 29 N 1.63 5.79 -0.01 0.27 0.01 0.37 -4.80 113.70 116.95 2jyc s SER 29 Ca 0.07 1.10 0.08 0.00 1.31 0.00 0.00 55.95 58.50 2jyc s SER 29 Cb -0.16 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 2jyc s SER 29 CO 0.09 -1.06 -0.24 -0.22 0.41 0.00 0.00 173.24 172.22 2jyc s LEU 30 N -5.16 2.06 0.11 2.44 0.20 -0.30 0.23 118.68 118.26 2jyc s LEU 30 Ca 0.55 -0.45 0.04 0.00 0.69 0.00 0.00 54.13 54.96 2jyc s LEU 30 Cb -0.11 -1.25 -0.04 0.00 -0.43 0.00 0.00 46.19 44.36 2jyc s LEU 30 CO 0.50 0.29 -0.11 0.00 -0.29 0.00 0.00 176.35 176.74 2jyc s ALA 31 N -0.60 1.28 0.23 5.97 0.00 0.97 0.80 121.76 130.41 2jyc s ALA 31 Ca 0.10 -1.26 -0.12 0.00 0.00 0.00 0.00 51.96 50.67 2jyc s ALA 31 Cb -0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 2jyc s ALA 31 CO -0.01 -0.00 0.44 -1.01 0.00 0.00 0.00 175.76 175.18 2jyc s HIS 32 N -2.47 0.35 -0.11 0.00 0.09 -0.27 -4.12 115.29 108.75 2jyc s HIS 32 Ca 0.08 -0.71 -0.01 0.00 -0.00 0.00 0.00 55.06 54.43 2jyc s HIS 32 Cb -0.03 0.15 -0.02 0.00 -0.00 0.00 0.00 32.58 32.68 2jyc s HIS 32 CO 0.01 -0.94 -0.09 0.00 -0.00 0.00 0.00 174.74 173.73 2jyc s ILE 34 N -0.07 0.00 0.04 0.00 -4.36 0.15 -4.87 121.20 112.10 2jyc s ILE 34 Ca -0.00 -1.79 -0.11 0.00 -0.26 0.00 0.00 60.65 58.49 2jyc s ILE 34 Cb -0.13 -2.43 -0.06 0.00 1.25 0.00 0.00 42.46 41.09 2jyc s ILE 34 CO 0.03 0.00 0.38 -0.94 0.24 0.00 0.00 174.94 174.65 2jyc s SER 35 N -3.15 6.66 0.61 4.36 1.04 -1.26 -1.64 113.70 120.32 2jyc s SER 35 Ca 0.33 0.80 0.36 0.00 0.48 0.00 0.00 55.95 57.93 2jyc s SER 35 Cb 0.04 -2.18 1.99 0.00 0.10 0.00 0.00 66.02 65.97 2jyc s SER 35 CO 0.13 0.23 2.25 1.05 0.98 0.00 0.00 173.24 177.89 2jyc h GLU 36 N 4.06 0.00 -0.06 4.02 4.11 -0.97 0.46 114.58 126.20 2jyc h GLU 36 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2jyc h GLU 36 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2jyc h GLU 36 CO 0.65 0.02 0.00 -0.25 0.07 0.00 0.00 179.01 179.50 2jyc n ASP 37 N -3.40 1.01 -3.78 3.06 8.00 -0.70 -4.77 116.55 115.96 2jyc n ASP 37 Ca -0.02 -1.46 -0.29 0.00 0.71 0.00 0.00 54.79 53.73 2jyc n ASP 37 Cb 0.12 -0.03 0.03 0.00 -0.02 0.00 0.00 41.12 41.22 2jyc n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jyc h ARG 39 N -1.94 0.47 0.00 0.00 2.47 -1.85 -3.47 114.38 110.06 2jyc h ARG 39 Ca -0.56 -0.35 0.00 0.00 -1.26 0.00 0.00 59.98 57.81 2jyc h ARG 39 Cb 1.37 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.75 2jyc h ARG 39 CO 0.65 0.97 0.00 -1.33 0.56 0.00 0.00 179.97 180.82 2jyc n MET 40 N -3.89 0.00 0.00 0.04 2.81 -1.26 -4.81 117.12 110.01 2jyc n MET 40 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 2jyc n MET 40 Cb 0.67 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.18 2jyc n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jyc n GLY 41 N 0.00 1.91 3.52 3.03 0.00 -1.26 -4.81 105.19 107.58 2jyc n GLY 41 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2jyc n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jyc s ALA 42 N -0.46 0.12 0.00 4.61 0.00 -1.26 -5.03 121.76 119.74 2jyc s ALA 42 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2jyc s ALA 42 Cb 0.00 1.13 0.00 0.00 0.00 0.00 0.00 23.12 24.25 2jyc s ALA 42 CO 0.00 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.36 2jyc n GLY 43 N -0.39 -1.40 0.28 0.00 0.00 -1.26 -4.09 105.19 98.32 2jyc n GLY 43 Ca -0.01 -1.58 0.17 0.00 0.00 0.00 0.00 46.02 44.60 2jyc n GLY 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jyc h ILE 44 N 0.00 0.20 0.00 -0.61 2.10 -1.96 -2.82 117.51 114.42 2jyc h ILE 44 Ca 0.00 -0.47 -0.02 0.00 1.08 0.00 0.00 64.86 65.45 2jyc h ILE 44 Cb 0.00 1.38 -0.00 0.00 -1.09 0.00 0.00 36.82 37.11 2jyc h ILE 44 CO 0.00 0.05 -0.10 0.00 -1.08 0.00 0.00 178.15 177.02 2jyc h ALA 45 N 1.94 1.11 -0.17 0.18 0.00 -1.91 -2.44 119.26 117.97 2jyc h ALA 45 Ca -0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2jyc h ALA 45 Cb 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2jyc h ALA 45 CO 0.01 0.13 -0.37 -0.24 0.00 0.00 0.00 179.25 178.78 2jyc h VAL 46 N 0.00 1.29 -0.35 0.00 3.04 -1.65 -1.42 116.25 117.16 2jyc h VAL 46 Ca -0.00 -1.46 -0.12 0.00 -1.01 0.00 0.00 66.70 64.12 2jyc h VAL 46 Cb 0.44 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.28 2jyc h VAL 46 CO 0.01 0.45 -0.24 -0.07 -1.01 0.00 0.00 177.57 176.71 2jyc h LEU 47 N 0.31 0.82 -1.86 3.16 3.38 -1.64 -3.08 115.31 116.41 2jyc h LEU 47 Ca 0.03 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 2jyc h LEU 47 Cb 0.79 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2jyc h LEU 47 CO 0.06 1.08 -0.13 -0.26 0.09 0.00 0.00 178.44 179.28 2jyc h PHE 48 N 0.57 0.00 0.01 1.13 -1.00 -1.30 -1.51 116.94 114.85 2jyc h PHE 48 Ca 0.07 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.88 2jyc h PHE 48 Cb 0.80 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.33 2jyc h PHE 48 CO 0.06 0.13 -0.18 -0.22 -1.61 0.00 0.00 178.31 176.49 2jyc h LYS 49 N 0.00 -0.30 -0.04 1.51 3.64 -1.17 0.96 116.57 121.18 2jyc h LYS 49 Ca -0.00 0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.20 2jyc h LYS 49 Cb 0.29 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2jyc h LYS 49 CO 0.02 -0.20 -0.81 0.87 -2.27 0.00 0.00 179.45 177.06 2jyc h LYS 50 N -0.31 0.34 -0.05 1.90 6.56 -1.55 -1.76 116.57 121.71 2jyc h LYS 50 Ca 0.05 -0.32 -0.18 0.00 -1.06 0.00 0.00 60.65 59.14 2jyc h LYS 50 Cb 0.37 0.08 0.01 0.00 -0.57 0.00 0.00 32.23 32.12 2jyc h LYS 50 CO -0.16 0.99 -0.69 0.87 -2.06 0.00 0.00 179.45 178.40 2jyc h LYS 51 N 0.22 0.56 0.00 3.15 1.57 -1.16 -3.35 116.57 117.55 2jyc h LYS 51 Ca -0.05 -0.53 -0.10 0.00 -1.87 0.00 0.00 60.65 58.11 2jyc h LYS 51 Cb 1.41 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.84 2jyc h LYS 51 CO 0.14 1.16 -2.08 1.19 -0.57 0.00 0.00 179.45 179.28 2jyc n PHE 52 N -4.11 0.02 -2.83 -1.35 3.01 0.32 -4.99 117.46 107.53 2jyc n PHE 52 Ca -0.09 0.01 -0.20 0.00 1.01 0.00 0.00 57.45 58.17 2jyc n PHE 52 Cb 0.70 -0.64 0.01 0.00 -0.01 0.00 0.00 39.48 39.54 2jyc n PHE 52 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jyc n GLY 53 N 1.39 -0.51 2.18 1.37 0.00 -0.66 -4.87 105.19 104.08 2jyc n GLY 53 Ca -0.12 0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 2jyc n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jyc n GLY 54 N -1.17 5.54 0.23 -0.02 0.00 -1.26 -4.58 105.19 103.93 2jyc n GLY 54 Ca -0.13 -1.98 -0.15 0.00 0.00 0.00 0.00 46.02 43.77 2jyc n GLY 54 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jyc h VAL 55 N 1.14 1.29 -0.64 1.61 2.07 -1.89 -0.57 116.25 119.25 2jyc h VAL 55 Ca 0.56 -1.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.34 2jyc h VAL 55 Cb 1.45 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 2jyc h VAL 55 CO 1.29 0.53 0.10 1.56 0.02 0.00 0.00 177.57 181.07 2jyc h GLN 56 N 0.54 1.06 -0.67 1.57 1.08 -1.99 0.73 115.11 117.43 2jyc h GLN 56 Ca 0.02 -0.29 0.06 0.00 -1.45 0.00 0.00 58.65 56.99 2jyc h GLN 56 Cb 1.07 -0.12 -0.06 0.00 -0.05 0.00 0.00 27.48 28.32 2jyc h GLN 56 CO 0.10 0.99 0.37 0.93 -0.95 0.00 0.00 178.83 180.28 2jyc h GLU 57 N 0.98 0.67 0.10 1.46 5.08 -1.81 0.39 114.58 121.43 2jyc h GLU 57 Ca 0.19 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2jyc h GLU 57 Cb 0.45 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2jyc h GLU 57 CO 0.01 0.44 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.35 2jyc h LEU 58 N 0.69 -0.11 -0.92 1.33 3.38 -0.74 -2.79 115.31 116.15 2jyc h LEU 58 Ca 0.30 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2jyc h LEU 58 Cb 0.19 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2jyc h LEU 58 CO -0.18 0.25 0.32 -0.07 0.09 0.00 0.00 178.44 178.85 2jyc h LEU 59 N -0.48 1.01 -1.67 1.67 3.38 -0.51 -2.19 115.31 116.52 2jyc h LEU 59 Ca -0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2jyc h LEU 59 Cb 0.40 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2jyc h LEU 59 CO 0.02 0.88 -0.07 0.78 0.09 0.00 0.00 178.44 180.14 2jyc h ASN 60 N 1.09 0.00 1.13 -0.43 2.35 -0.27 -0.56 115.58 118.88 2jyc h ASN 60 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 2jyc h ASN 60 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2jyc h ASN 60 CO -0.03 0.07 0.00 0.00 -1.65 0.00 0.00 177.43 175.82 2jyc n GLN 61 N -3.25 0.15 -4.04 0.81 6.02 -0.83 -4.92 117.38 111.32 2jyc n GLN 61 Ca -0.00 0.19 -0.33 0.00 -0.01 0.00 0.00 57.00 56.84 2jyc n GLN 61 Cb 0.29 -1.70 -0.04 0.00 1.02 0.00 0.00 30.24 29.81 2jyc n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jyc n GLN 62 N -1.97 -2.45 -1.99 -1.09 10.64 -0.22 -4.87 117.38 115.43 2jyc n GLN 62 Ca 0.05 0.29 -0.39 0.00 -1.83 0.00 0.00 57.00 55.12 2jyc n GLN 62 Cb 0.35 -4.96 0.00 0.00 -0.86 0.00 0.00 30.24 24.77 2jyc n GLN 62 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2jyc s LYS 63 N -6.72 3.79 0.35 2.61 -0.14 -1.26 -5.00 119.74 113.37 2jyc s LYS 63 Ca 0.66 2.17 0.07 0.00 -1.36 0.00 0.00 55.97 57.52 2jyc s LYS 63 Cb -0.37 -2.64 -0.01 0.00 -1.68 0.00 0.00 37.83 33.13 2jyc s LYS 63 CO 0.81 -0.64 0.46 0.15 -0.76 0.00 0.00 175.35 175.37 2jyc s LYS 64 N -2.41 2.99 -0.10 1.68 -0.14 -1.26 -4.77 119.74 115.74 2jyc s LYS 64 Ca 0.60 -1.11 -0.32 0.00 -1.36 0.00 0.00 55.97 53.78 2jyc s LYS 64 Cb -0.38 -2.75 -0.10 0.00 -1.68 0.00 0.00 37.83 32.92 2jyc s LYS 64 CO 0.49 -0.00 1.99 0.43 -0.76 0.00 0.00 175.35 177.49 2jyc n SER 65 N -1.64 3.53 0.00 2.83 7.64 -1.26 -1.02 113.62 123.69 2jyc n SER 65 Ca 0.01 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.68 2jyc n SER 65 Cb 0.59 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 2jyc n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jyc n GLY 66 N 4.84 1.10 3.43 0.23 0.00 0.95 -4.98 105.19 110.76 2jyc n GLY 66 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 2jyc n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jyc s GLU 67 N -0.80 1.56 -0.06 1.61 2.02 -0.19 -3.27 118.70 119.57 2jyc s GLU 67 Ca 0.00 -1.77 0.06 0.00 0.02 0.00 0.00 54.97 53.28 2jyc s GLU 67 Cb 0.00 -1.29 -0.01 0.00 0.10 0.00 0.00 34.13 32.93 2jyc s GLU 67 CO 0.00 0.11 -0.25 0.54 0.02 0.00 0.00 175.26 175.68 2jyc s VAL 68 N -2.90 2.04 0.01 2.63 0.11 -1.26 -0.80 120.40 120.24 2jyc s VAL 68 Ca 0.29 -1.06 -0.12 0.00 -2.93 0.00 0.00 61.98 58.16 2jyc s VAL 68 Cb 0.02 -1.73 -0.05 0.00 -1.53 0.00 0.00 36.38 33.08 2jyc s VAL 68 CO 0.12 0.57 0.37 0.00 -3.33 0.00 0.00 175.10 172.82 2jyc s ALA 69 N -0.11 3.74 -0.00 1.54 0.00 0.62 -4.89 121.76 122.64 2jyc s ALA 69 Ca -0.05 -0.34 0.05 0.00 0.00 0.00 0.00 51.96 51.62 2jyc s ALA 69 Cb -0.14 -2.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.69 2jyc s ALA 69 CO 0.04 0.54 -0.17 0.08 0.00 0.00 0.00 175.76 176.25 2jyc s VAL 70 N -1.20 1.32 -0.15 0.00 1.01 -1.26 -0.11 120.40 120.02 2jyc s VAL 70 Ca 0.26 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.49 2jyc s VAL 70 Cb -0.15 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.12 2jyc s VAL 70 CO 0.14 0.33 -0.19 -0.76 0.00 0.00 0.00 175.10 174.62 2jyc s LEU 71 N -0.51 2.25 -0.06 3.92 1.43 0.82 -4.94 118.68 121.58 2jyc s LEU 71 Ca 0.06 -0.56 -0.22 0.00 -1.03 0.00 0.00 54.13 52.38 2jyc s LEU 71 Cb -0.07 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 2jyc s LEU 71 CO -0.00 0.07 0.66 -0.75 0.23 0.00 0.00 176.35 176.56 2jyc s LYS 72 N 0.87 4.41 0.27 1.70 2.47 -1.26 -0.89 119.74 127.31 2jyc s LYS 72 Ca -0.05 0.81 0.02 0.00 -1.56 0.00 0.00 55.97 55.18 2jyc s LYS 72 Cb -0.15 -3.43 -0.05 0.00 -1.46 0.00 0.00 37.83 32.74 2jyc s LYS 72 CO -0.02 0.12 0.12 1.03 0.16 0.00 0.00 175.35 176.76 2jyc s ARG 73 N 0.63 1.45 0.27 4.03 1.81 -0.95 -5.00 118.95 121.18 2jyc s ARG 73 Ca 0.35 -1.80 0.02 0.00 -1.72 0.00 0.00 55.73 52.58 2jyc s ARG 73 Cb -0.17 -0.18 0.66 0.00 -0.45 0.00 0.00 34.95 34.81 2jyc s ARG 73 CO 0.17 -0.35 1.33 -0.25 -0.68 0.00 0.00 175.30 175.52 2jyc n ASP 74 N -0.59 -0.09 0.00 0.23 9.92 -1.26 -3.59 116.55 121.17 2jyc n ASP 74 Ca 0.00 1.44 0.00 0.00 -0.53 0.00 0.00 54.79 55.71 2jyc n ASP 74 Cb 0.66 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 2jyc n ASP 74 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jyc n GLY 75 N -1.42 0.44 3.41 0.44 0.00 -1.26 -5.11 105.19 101.69 2jyc n GLY 75 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 2jyc n GLY 75 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jyc s ARG 76 N -0.11 1.51 -0.05 1.61 1.70 -1.24 -4.90 118.95 117.47 2jyc s ARG 76 Ca 0.00 -1.76 0.01 0.00 -0.47 0.00 0.00 55.73 53.51 2jyc s ARG 76 Cb 0.00 -1.12 -0.03 0.00 -0.57 0.00 0.00 34.95 33.23 2jyc s ARG 76 CO 0.00 0.04 -0.04 0.71 -1.08 0.00 0.00 175.30 174.93 2jyc s TYR 77 N -3.03 2.99 -0.20 5.89 1.51 -1.26 -2.24 117.35 121.01 2jyc s TYR 77 Ca 0.29 0.06 -0.04 0.00 -1.01 0.00 0.00 57.07 56.37 2jyc s TYR 77 Cb 0.03 -1.71 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 2jyc s TYR 77 CO 0.11 0.39 -0.04 0.42 -1.11 0.00 0.00 175.55 175.32 2jyc s ILE 78 N -0.89 3.56 -0.02 2.71 -1.09 -0.07 -1.15 121.20 124.25 2jyc s ILE 78 Ca 0.14 -0.44 -0.01 0.00 -2.23 0.00 0.00 60.65 58.11 2jyc s ILE 78 Cb -0.11 -2.60 -0.04 0.00 -1.58 0.00 0.00 42.46 38.13 2jyc s ILE 78 CO 0.04 0.44 0.07 -0.31 -1.23 0.00 0.00 174.94 173.95 2jyc s TYR 79 N 1.11 3.27 -0.30 3.97 1.51 0.24 -0.13 117.35 127.03 2jyc s TYR 79 Ca 0.02 0.21 -0.01 0.00 -1.01 0.00 0.00 57.07 56.27 2jyc s TYR 79 Cb -0.15 -1.75 0.10 0.00 -0.11 0.00 0.00 41.96 40.05 2jyc s TYR 79 CO -0.00 0.54 0.10 0.71 -1.11 0.00 0.00 175.55 175.79 2jyc s TYR 80 N -1.15 1.42 -0.15 2.71 2.02 0.84 -1.12 117.35 121.93 2jyc s TYR 80 Ca 0.21 -1.51 -0.29 0.00 -0.37 0.00 0.00 57.07 55.11 2jyc s TYR 80 Cb -0.12 -1.51 -0.02 0.00 -0.40 0.00 0.00 41.96 39.90 2jyc s TYR 80 CO 0.12 -0.84 1.38 -0.51 -1.57 0.00 0.00 175.55 174.13 2jyc s LEU 81 N 1.72 4.19 -0.40 -1.29 1.43 0.18 -0.28 118.68 124.23 2jyc s LEU 81 Ca 0.08 1.81 -0.23 0.00 -1.03 0.00 0.00 54.13 54.76 2jyc s LEU 81 Cb -0.17 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.53 2jyc s LEU 81 CO -0.25 -0.84 0.79 -0.63 0.23 0.00 0.00 176.35 175.65 2jyc s ILE 82 N 3.76 4.69 -0.20 -0.59 -1.09 0.02 0.33 121.20 128.12 2jyc s ILE 82 Ca 0.60 0.73 -0.21 0.00 -2.23 0.00 0.00 60.65 59.54 2jyc s ILE 82 Cb -0.25 -4.26 -0.20 0.00 -1.58 0.00 0.00 42.46 36.18 2jyc s ILE 82 CO 0.20 -0.55 0.25 0.71 -1.23 0.00 0.00 174.94 174.31 2jyc h THR 83 N 5.84 0.93 -4.01 2.92 1.35 -1.62 0.27 112.91 118.61 2jyc h THR 83 Ca -0.25 -2.19 -0.26 0.00 -0.55 0.00 0.00 66.41 63.16 2jyc h THR 83 Cb 1.09 2.28 -0.07 0.00 -1.73 0.00 0.00 68.15 69.72 2jyc h THR 83 CO 0.93 0.35 -0.13 -0.54 -0.25 0.00 0.00 175.52 175.88 2jyc s LYS 84 N -2.37 1.98 -0.02 4.72 -0.14 -1.26 -4.45 119.74 118.20 2jyc s LYS 84 Ca -0.28 -1.75 -0.12 0.00 -1.36 0.00 0.00 55.97 52.46 2jyc s LYS 84 Cb 0.06 0.47 -0.07 0.00 -1.68 0.00 0.00 37.83 36.61 2jyc s LYS 84 CO 0.61 -0.83 0.61 0.87 -0.76 0.00 0.00 175.35 175.84 2jyc h LYS 85 N 2.08 -0.41 -6.58 1.68 1.57 -1.93 -0.64 116.57 112.34 2jyc h LYS 85 Ca -0.29 0.03 -0.51 0.00 -1.87 0.00 0.00 60.65 58.01 2jyc h LYS 85 Cb 1.24 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.64 2jyc h LYS 85 CO 0.39 -0.27 -0.07 1.03 -0.57 0.00 0.00 179.45 179.96 2jyc s ARG 86 N -3.03 3.70 0.41 3.15 3.00 -1.26 -1.72 118.95 123.19 2jyc s ARG 86 Ca -0.06 0.17 0.21 0.00 0.00 0.00 0.00 55.73 56.05 2jyc s ARG 86 Cb 0.01 -2.57 0.78 0.00 0.00 0.00 0.00 34.95 33.16 2jyc s ARG 86 CO 0.19 0.16 1.77 0.00 0.00 0.00 0.00 175.30 177.41 2jyc h ALA 87 N 1.67 0.99 -0.05 2.13 0.00 -1.88 -2.00 119.26 120.12 2jyc h ALA 87 Ca -0.47 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2jyc h ALA 87 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jyc h ALA 87 CO 0.66 0.37 0.00 0.43 0.00 0.00 0.00 179.25 180.70 2jyc n SER 88 N -3.44 0.41 -4.89 0.00 7.64 -1.26 -4.83 113.62 107.25 2jyc n SER 88 Ca 0.00 -1.67 -0.29 0.00 1.01 0.00 0.00 58.87 57.92 2jyc n SER 88 Cb 0.48 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.62 2jyc n SER 88 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2jyc s HIS 89 N -1.93 3.50 -0.23 1.43 3.76 -0.75 -5.06 115.29 116.01 2jyc s HIS 89 Ca 0.20 0.88 -0.12 0.00 -0.15 0.00 0.00 55.06 55.87 2jyc s HIS 89 Cb 0.10 -2.32 -0.05 0.00 1.11 0.00 0.00 32.58 31.42 2jyc s HIS 89 CO 0.16 -0.11 0.21 0.15 -0.85 0.00 0.00 174.74 174.30 2jyc s LYS 90 N -4.11 4.10 0.42 1.40 1.02 -1.26 -4.81 119.74 116.50 2jyc s LYS 90 Ca 0.48 -0.16 -0.25 0.00 0.02 0.00 0.00 55.97 56.06 2jyc s LYS 90 Cb -0.10 -3.53 -0.08 0.00 -0.52 0.00 0.00 37.83 33.60 2jyc s LYS 90 CO 0.36 0.06 1.19 -1.25 -0.92 0.00 0.00 175.35 174.78 2jyc s PRO 91 N 1.06 3.95 0.23 -1.68 0.04 -1.26 -4.88 135.00 132.46 2jyc s PRO 91 Ca 0.10 1.87 0.09 0.00 0.04 0.00 0.00 61.00 63.10 2jyc s PRO 91 Cb -0.14 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.75 2jyc s PRO 91 CO 0.05 -0.42 -0.03 0.95 0.04 0.00 0.00 177.00 177.59 2jyc s THR 92 N -1.42 3.42 0.11 1.26 -4.23 -1.26 -4.76 115.64 108.76 2jyc s THR 92 Ca 0.59 -1.78 -0.15 0.00 -1.18 0.00 0.00 61.69 59.17 2jyc s THR 92 Cb -0.31 -2.78 -0.05 0.00 1.34 0.00 0.00 72.50 70.70 2jyc s THR 92 CO 0.39 -0.27 1.50 1.88 -0.54 0.00 0.00 174.62 177.58 2jyc h TYR 93 N 2.26 0.79 -0.09 3.99 0.05 -1.98 0.70 116.97 122.70 2jyc h TYR 93 Ca -0.45 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.14 2jyc h TYR 93 Cb 1.23 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 38.78 2jyc h TYR 93 CO 0.67 0.87 0.02 1.05 -1.05 0.00 0.00 178.16 179.72 2jyc h GLU 94 N 0.49 0.15 -0.71 4.88 -0.00 -1.99 0.46 114.58 117.86 2jyc h GLU 94 Ca 0.09 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.36 59.40 2jyc h GLU 94 Cb 0.63 -0.02 -0.03 0.00 -0.00 0.00 0.00 28.75 29.33 2jyc h GLU 94 CO 0.04 0.35 0.42 -0.91 -0.00 0.00 0.00 179.01 178.91 2jyc h ASN 95 N -0.07 0.86 -0.04 3.06 2.35 -1.92 -1.53 115.58 118.27 2jyc h ASN 95 Ca 0.03 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2jyc h ASN 95 Cb 0.27 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2jyc h ASN 95 CO 0.00 0.67 -0.01 0.25 -1.65 0.00 0.00 177.43 176.69 2jyc h LEU 96 N 0.97 -0.05 -1.67 1.61 5.85 -0.64 -2.12 115.31 119.26 2jyc h LEU 96 Ca 0.25 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 2jyc h LEU 96 Cb -0.02 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2jyc h LEU 96 CO -0.05 -0.02 -0.14 0.06 -0.34 0.00 0.00 178.44 177.96 2jyc h GLN 97 N -0.00 0.04 -0.83 1.25 3.07 -0.70 -0.83 115.11 117.10 2jyc h GLN 97 Ca 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.75 2jyc h GLN 97 Cb 0.04 -0.01 -0.04 0.00 0.08 0.00 0.00 27.48 27.55 2jyc h GLN 97 CO -0.05 0.18 0.48 0.87 0.09 0.00 0.00 178.83 180.40 2jyc h LYS 98 N 0.04 1.13 -0.31 0.06 1.57 -0.83 0.36 116.57 118.59 2jyc h LYS 98 Ca 0.01 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 2jyc h LYS 98 Cb 0.27 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2jyc h LYS 98 CO 0.02 0.81 -0.25 0.66 -0.57 0.00 0.00 179.45 180.12 2jyc h SER 99 N 1.14 0.63 -0.44 0.86 4.64 -0.54 -0.18 113.55 119.66 2jyc h SER 99 Ca 0.29 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 2jyc h SER 99 Cb -0.02 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 2jyc h SER 99 CO -0.05 0.86 0.14 -0.07 -0.87 0.00 0.00 176.83 176.84 2jyc h LEU 100 N 0.54 0.63 -0.35 5.97 -0.00 -0.70 -0.94 115.31 120.45 2jyc h LEU 100 Ca 0.08 -0.20 0.07 0.00 -0.00 0.00 0.00 57.88 57.82 2jyc h LEU 100 Cb 0.71 -0.16 -0.06 0.00 -0.00 0.00 0.00 40.66 41.15 2jyc h LEU 100 CO 0.05 0.66 -0.05 -0.33 -0.00 0.00 0.00 178.44 178.77 2jyc h GLU 101 N 0.56 0.04 -0.33 1.13 4.39 -0.00 0.13 114.58 120.50 2jyc h GLU 101 Ca 0.14 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.86 2jyc h GLU 101 Cb 0.25 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 2jyc h GLU 101 CO -0.01 0.02 0.17 0.00 -1.16 0.00 0.00 179.01 178.04 2jyc h ALA 102 N 1.33 0.40 0.07 3.43 0.00 -0.85 -0.33 119.26 123.31 2jyc h ALA 102 Ca 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jyc h ALA 102 Cb 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jyc h ALA 102 CO -0.33 -0.21 -0.03 0.52 0.00 0.00 0.00 179.25 179.20 2jyc h MET 103 N 0.35 -0.09 -0.26 0.00 2.86 -0.55 -0.35 114.93 116.88 2jyc h MET 103 Ca 0.13 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2jyc h MET 103 Cb 0.04 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2jyc h MET 103 CO -0.09 -0.02 0.06 1.57 1.06 0.00 0.00 176.91 179.49 2jyc h LYS 104 N -0.14 0.37 -0.16 1.72 5.09 -0.60 0.32 116.57 123.17 2jyc h LYS 104 Ca -0.01 -0.05 -0.06 0.00 0.09 0.00 0.00 60.65 60.62 2jyc h LYS 104 Cb 0.11 -0.07 -0.00 0.00 0.10 0.00 0.00 32.23 32.37 2jyc h LYS 104 CO 0.02 0.35 -0.13 1.03 -2.09 0.00 0.00 179.45 178.62 2jyc h SER 105 N 0.37 0.40 -0.63 7.07 0.87 -0.81 -2.61 113.55 118.20 2jyc h SER 105 Ca 0.09 -0.46 -0.09 0.00 -1.23 0.00 0.00 61.79 60.09 2jyc h SER 105 Cb 0.16 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 2jyc h SER 105 CO -0.00 0.77 0.03 -0.74 -0.53 0.00 0.00 176.83 176.36 2jyc h HIS 106 N 0.02 1.19 -0.35 2.24 -0.00 -0.21 -2.42 115.15 115.61 2jyc h HIS 106 Ca 0.03 -0.20 -0.01 0.00 -0.00 0.00 0.00 60.37 60.20 2jyc h HIS 106 Cb 0.65 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.73 2jyc h HIS 106 CO 0.08 1.03 0.20 0.00 -0.00 0.00 0.00 177.93 179.23 2jyc h LEU 108 N 0.49 0.76 -0.64 0.00 3.38 -1.04 0.29 115.31 118.54 2jyc h LEU 108 Ca 0.13 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2jyc h LEU 108 Cb 0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2jyc h LEU 108 CO -0.02 0.69 -0.61 0.11 0.09 0.00 0.00 178.44 178.69 2jyc h LYS 109 N 0.77 0.23 0.00 1.13 1.57 -0.99 -3.21 116.57 116.07 2jyc h LYS 109 Ca 0.19 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2jyc h LYS 109 Cb 0.14 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2jyc h LYS 109 CO -0.02 0.77 -1.20 0.09 -0.57 0.00 0.00 179.45 178.52 2jyc n ASN 110 N -3.86 0.62 -0.26 0.86 5.03 -0.37 -4.97 115.26 112.30 2jyc n ASN 110 Ca -0.02 -0.46 0.00 0.00 0.87 0.00 0.00 54.58 54.97 2jyc n ASN 110 Cb 0.62 1.11 0.00 0.00 -1.02 0.00 0.00 39.78 40.49 2jyc n ASN 110 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jyc n GLY 111 N 1.40 0.78 3.69 7.41 0.00 0.72 -5.04 105.19 114.16 2jyc n GLY 111 Ca 0.02 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 2jyc n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jyc s VAL 112 N -2.52 5.27 0.00 1.61 1.01 0.46 -4.91 120.40 121.31 2jyc s VAL 112 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.54 2jyc s VAL 112 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2jyc s VAL 112 CO 0.00 0.32 0.56 1.07 0.00 0.00 0.00 175.10 177.05 2jyc n THR 113 N 4.02 0.30 -3.98 3.92 5.66 -1.26 -4.58 114.28 118.36 2jyc n THR 113 Ca -0.11 -0.37 -0.24 0.00 -3.05 0.00 0.00 64.05 60.28 2jyc n THR 113 Cb 0.52 1.03 -0.17 0.00 -1.55 0.00 0.00 70.33 70.15 2jyc n THR 113 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2jyc s ASP 114 N -0.30 1.73 0.02 1.09 1.01 -1.26 0.46 116.67 119.42 2jyc s ASP 114 Ca 0.00 -0.20 0.03 0.00 0.71 0.00 0.00 52.55 53.09 2jyc s ASP 114 Cb 0.00 -0.64 -0.02 0.00 1.01 0.00 0.00 42.92 43.27 2jyc s ASP 114 CO 0.00 -0.11 -0.10 -0.76 0.21 0.00 0.00 175.17 174.41 2jyc s LEU 115 N 1.53 2.13 -0.02 1.23 1.43 0.07 -0.48 118.68 124.58 2jyc s LEU 115 Ca -0.00 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2jyc s LEU 115 Cb -0.13 -0.40 -0.00 0.00 0.03 0.00 0.00 46.19 45.69 2jyc s LEU 115 CO -0.04 -0.00 -0.09 -0.94 0.23 0.00 0.00 176.35 175.50 2jyc s SER 116 N -0.86 1.18 0.05 2.29 1.04 0.13 0.67 113.70 118.20 2jyc s SER 116 Ca -0.01 -0.18 -0.15 0.00 0.48 0.00 0.00 55.95 56.09 2jyc s SER 116 Cb -0.06 -0.21 0.03 0.00 0.10 0.00 0.00 66.02 65.87 2jyc s SER 116 CO 0.00 0.10 0.35 0.00 0.98 0.00 0.00 173.24 174.67 2jyc s MET 117 N -0.05 0.88 0.70 4.02 0.23 -0.13 -0.02 119.30 124.93 2jyc s MET 117 Ca 0.01 -0.49 -0.11 0.00 -1.03 0.00 0.00 55.69 54.06 2jyc s MET 117 Cb -0.06 0.38 0.01 0.00 -1.53 0.00 0.00 34.83 33.64 2jyc s MET 117 CO -0.00 -0.30 1.08 -1.25 -2.03 0.00 0.00 175.02 172.52 2jyc s PRO 118 N -2.71 2.90 -0.72 3.16 0.04 -1.26 -0.66 135.00 135.75 2jyc s PRO 118 Ca -0.04 0.60 -0.25 0.00 0.04 0.00 0.00 61.00 61.35 2jyc s PRO 118 Cb -0.00 -2.01 -0.14 0.00 0.04 0.00 0.00 34.50 32.38 2jyc s PRO 118 CO -0.04 -1.04 2.44 2.89 0.04 0.00 0.00 177.00 181.29 2jyc n ARG 119 N -3.04 0.62 -2.47 4.56 1.85 -0.98 -4.80 116.66 112.40 2jyc n ARG 119 Ca 0.07 -0.25 -0.25 0.00 -1.00 0.00 0.00 57.85 56.42 2jyc n ARG 119 Cb 0.56 -2.94 0.04 0.00 -1.05 0.00 0.00 32.46 29.07 2jyc n ARG 119 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 2jyc s ILE 120 N 11.18 3.15 0.00 8.89 -4.36 -1.26 -4.58 121.20 134.23 2jyc s ILE 120 Ca 1.07 -0.27 0.00 0.00 -0.26 0.00 0.00 60.65 61.19 2jyc s ILE 120 Cb -0.41 -3.25 0.00 0.00 1.25 0.00 0.00 42.46 40.04 2jyc s ILE 120 CO 0.28 -0.24 0.00 0.61 0.24 0.00 0.00 174.94 175.83 2jyc n GLY 121 N -2.56 0.80 3.77 6.27 0.00 -1.26 -4.88 105.19 107.33 2jyc n GLY 121 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2jyc n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jyc n GLY 123 N 0.70 3.38 2.82 0.00 0.00 -1.26 -4.63 105.19 106.20 2jyc n GLY 123 Ca 0.03 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 2jyc n GLY 123 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jyc s LEU 124 N 0.00 2.07 0.00 0.99 0.20 -1.25 -4.64 118.68 116.06 2jyc s LEU 124 Ca 0.00 -1.19 0.09 0.00 0.69 0.00 0.00 54.13 53.72 2jyc s LEU 124 Cb 0.00 -0.91 0.46 0.00 -0.43 0.00 0.00 46.19 45.31 2jyc s LEU 124 CO 0.00 -0.31 1.21 0.47 -0.29 0.00 0.00 176.35 177.43 2jyc n ASP 125 N 4.83 0.00 0.21 3.68 8.00 -1.26 -1.64 116.55 130.37 2jyc n ASP 125 Ca -0.08 0.23 0.09 0.00 0.71 0.00 0.00 54.79 55.74 2jyc n ASP 125 Cb 0.45 -0.34 0.38 0.00 -0.02 0.00 0.00 41.12 41.59 2jyc n ASP 125 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2jyc h ARG 126 N 0.00 0.00 -6.40 -1.24 9.65 -1.95 -3.42 114.38 111.02 2jyc h ARG 126 Ca 0.00 0.00 -0.54 0.00 -1.10 0.00 0.00 59.98 58.34 2jyc h ARG 126 Cb 0.11 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.68 2jyc h ARG 126 CO 0.00 0.26 0.72 -0.51 2.80 0.00 0.00 179.97 183.24 2jyc s LEU 127 N -6.72 4.32 0.06 3.80 1.02 -0.65 -4.99 118.68 115.52 2jyc s LEU 127 Ca 0.01 2.02 0.08 0.00 0.02 0.00 0.00 54.13 56.27 2jyc s LEU 127 Cb 0.10 -3.57 -0.03 0.00 0.02 0.00 0.00 46.19 42.71 2jyc s LEU 127 CO 0.65 -0.62 -0.23 -1.58 0.02 0.00 0.00 176.35 174.60 2jyc s GLN 128 N 1.92 1.42 0.54 1.70 0.74 -1.26 -4.94 119.66 119.77 2jyc s GLN 128 Ca 0.60 -1.06 0.20 0.00 0.05 0.00 0.00 55.36 55.15 2jyc s GLN 128 Cb -0.29 -1.62 1.41 0.00 1.10 0.00 0.00 33.01 33.60 2jyc s GLN 128 CO 0.26 0.40 2.17 2.35 -0.55 0.00 0.00 175.29 179.93 2jyc h TRP 129 N 4.59 0.00 -0.63 1.67 2.91 -1.94 -1.23 115.95 121.32 2jyc h TRP 129 Ca -0.45 0.00 0.11 0.00 1.13 0.00 0.00 58.89 59.68 2jyc h TRP 129 Cb 1.16 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.77 2jyc h TRP 129 CO 0.53 0.00 0.42 1.49 -1.03 0.00 0.00 178.44 179.85 2jyc h GLU 130 N 0.00 0.39 0.07 2.65 4.81 -1.99 0.41 114.58 120.92 2jyc h GLU 130 Ca 0.01 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 2jyc h GLU 130 Cb 0.04 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 29.34 2jyc h GLU 130 CO -0.00 0.26 -0.62 -0.91 -0.73 0.00 0.00 179.01 177.01 2jyc h ASN 131 N 0.40 0.42 -0.31 1.04 2.35 -1.65 -3.14 115.58 114.68 2jyc h ASN 131 Ca 0.30 -0.88 -0.03 0.00 -0.55 0.00 0.00 56.30 55.13 2jyc h ASN 131 Cb 0.61 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 2jyc h ASN 131 CO -0.08 1.26 0.09 0.58 -1.65 0.00 0.00 177.43 177.63 2jyc h VAL 132 N -0.37 1.21 -0.65 2.81 2.07 -1.15 0.10 116.25 120.28 2jyc h VAL 132 Ca -0.10 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.75 2jyc h VAL 132 Cb 1.42 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 2jyc h VAL 132 CO 0.12 0.23 0.41 0.77 0.02 0.00 0.00 177.57 179.12 2jyc h SER 133 N 0.35 0.69 0.16 0.57 4.64 -0.37 0.22 113.55 119.80 2jyc h SER 133 Ca 0.10 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 2jyc h SER 133 Cb 0.27 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2jyc h SER 133 CO -0.00 0.49 -0.28 0.00 -0.87 0.00 0.00 176.83 176.17 2jyc h ALA 134 N 1.27 1.33 -0.35 5.18 0.00 -1.44 -1.66 119.26 123.59 2jyc h ALA 134 Ca 0.25 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2jyc h ALA 134 Cb -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2jyc h ALA 134 CO -0.09 0.46 -0.12 1.98 0.00 0.00 0.00 179.25 181.49 2jyc h MET 135 N 0.18 0.70 -0.84 0.00 -1.53 0.32 0.15 114.93 113.91 2jyc h MET 135 Ca 0.03 -0.29 -0.00 0.00 -3.44 0.00 0.00 59.70 56.00 2jyc h MET 135 Cb 0.59 -0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 31.57 2jyc h MET 135 CO 0.04 0.88 0.51 0.82 0.14 0.00 0.00 176.91 179.30 2jyc h ILE 136 N 0.48 1.23 -0.19 1.77 2.04 -0.29 0.16 117.51 122.72 2jyc h ILE 136 Ca 0.08 -0.50 -0.10 0.00 1.00 0.00 0.00 64.86 65.34 2jyc h ILE 136 Cb 0.64 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2jyc h ILE 136 CO 0.04 0.24 -0.32 -0.33 0.00 0.00 0.00 178.15 177.78 2jyc h GLU 137 N 1.15 0.38 -0.01 2.37 4.39 -1.05 0.87 114.58 122.68 2jyc h GLU 137 Ca 0.30 -0.16 -0.24 0.00 0.34 0.00 0.00 59.36 59.61 2jyc h GLU 137 Cb -0.05 -0.01 0.02 0.00 -0.10 0.00 0.00 28.75 28.60 2jyc h GLU 137 CO -0.06 0.66 -0.92 1.05 -1.16 0.00 0.00 179.01 178.59 2jyc h GLU 138 N 0.33 0.63 -0.03 2.33 4.11 -0.14 -2.89 114.58 118.92 2jyc h GLU 138 Ca 0.04 -0.67 -0.02 0.00 0.07 0.00 0.00 59.36 58.78 2jyc h GLU 138 Cb 0.74 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2jyc h GLU 138 CO 0.06 1.27 -0.05 0.28 0.07 0.00 0.00 179.01 180.63 2jyc h VAL 139 N 0.27 1.44 0.00 -1.06 2.07 -0.96 -3.30 116.25 114.71 2jyc h VAL 139 Ca -0.11 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.04 2jyc h VAL 139 Cb 1.58 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.65 2jyc h VAL 139 CO 0.18 0.37 0.00 0.49 0.02 0.00 0.00 177.57 178.63 2jyc n PHE 140 N -4.74 0.50 -1.60 1.57 3.72 0.29 -4.85 117.46 112.36 2jyc n PHE 140 Ca -0.08 0.20 -0.45 0.00 -0.05 0.00 0.00 57.45 57.06 2jyc n PHE 140 Cb 0.32 -0.82 -0.02 0.00 -0.94 0.00 0.00 39.48 38.02 2jyc n PHE 140 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2jyc n GLU 141 N -1.96 1.38 -0.59 -1.08 0.28 -1.09 -0.94 120.64 116.65 2jyc n GLU 141 Ca 0.03 0.49 0.00 0.00 -0.16 0.00 0.00 57.16 57.51 2jyc n GLU 141 Cb 0.21 -1.90 0.00 0.00 1.43 0.00 0.00 31.44 31.17 2jyc n GLU 141 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jyc n ALA 142 N 0.59 0.00 -2.47 -1.84 0.00 -1.26 -5.03 120.51 110.50 2jyc n ALA 142 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.31 2jyc n ALA 142 Cb 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.65 2jyc n ALA 142 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jyc s THR 143 N -3.49 2.19 -0.54 0.00 -4.23 -0.11 -5.10 115.64 104.37 2jyc s THR 143 Ca 0.00 -2.28 0.04 0.00 -1.18 0.00 0.00 61.69 58.26 2jyc s THR 143 Cb 0.00 -2.39 0.14 0.00 1.34 0.00 0.00 72.50 71.59 2jyc s THR 143 CO 0.00 -0.35 0.32 -1.81 -0.54 0.00 0.00 174.62 172.24 2jyc s ASP 144 N -3.51 4.06 -0.05 3.99 1.01 -1.26 -5.01 116.67 115.90 2jyc s ASP 144 Ca 0.30 -3.12 0.01 0.00 0.71 0.00 0.00 52.55 50.45 2jyc s ASP 144 Cb -0.01 -1.38 0.02 0.00 1.01 0.00 0.00 42.92 42.55 2jyc s ASP 144 CO 0.14 -0.20 -0.08 -0.63 0.21 0.00 0.00 175.17 174.61 2jyc s ILE 145 N -0.38 0.79 0.17 0.77 1.01 -1.26 -4.70 121.20 117.60 2jyc s ILE 145 Ca 0.20 -0.27 -0.19 0.00 0.00 0.00 0.00 60.65 60.39 2jyc s ILE 145 Cb -0.18 -0.77 -0.08 0.00 0.01 0.00 0.00 42.46 41.44 2jyc s ILE 145 CO -0.06 0.28 0.66 -0.54 0.00 0.00 0.00 174.94 175.28 2jyc s LYS 146 N 0.83 4.20 -0.17 2.79 -0.14 0.17 -4.82 119.74 122.60 2jyc s LYS 146 Ca -0.12 0.77 0.01 0.00 -1.36 0.00 0.00 55.97 55.27 2jyc s LYS 146 Cb -0.15 -2.98 0.03 0.00 -1.68 0.00 0.00 37.83 33.05 2jyc s LYS 146 CO 0.01 0.47 -0.15 0.42 -0.76 0.00 0.00 175.35 175.34 2jyc s ILE 147 N -1.41 1.77 -0.32 2.17 -1.09 0.14 -0.75 121.20 121.71 2jyc s ILE 147 Ca 0.39 -0.85 -0.06 0.00 -2.23 0.00 0.00 60.65 57.89 2jyc s ILE 147 Cb -0.17 -1.68 0.03 0.00 -1.58 0.00 0.00 42.46 39.05 2jyc s ILE 147 CO 0.21 0.40 0.09 -0.89 -1.23 0.00 0.00 174.94 173.52 2jyc s THR 148 N 1.39 3.81 -0.25 2.92 2.01 0.21 0.27 115.64 126.00 2jyc s THR 148 Ca 0.03 -0.96 -0.10 0.00 0.31 0.00 0.00 61.69 60.98 2jyc s THR 148 Cb -0.14 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 2jyc s THR 148 CO -0.11 -0.06 0.14 -0.69 -0.69 0.00 0.00 174.62 173.22 2jyc s VAL 149 N 1.44 5.05 -0.15 3.82 1.01 0.81 -0.95 120.40 131.42 2jyc s VAL 149 Ca 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 2jyc s VAL 149 Cb -0.18 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2jyc s VAL 149 CO 0.02 0.32 0.13 -0.31 0.00 0.00 0.00 175.10 175.27 2jyc s TYR 150 N 1.38 3.51 -0.14 5.22 1.51 0.16 -0.39 117.35 128.61 2jyc s TYR 150 Ca 0.07 0.44 -0.18 0.00 -1.01 0.00 0.00 57.07 56.39 2jyc s TYR 150 Cb -0.15 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 2jyc s TYR 150 CO 0.06 0.54 0.46 0.95 -1.11 0.00 0.00 175.55 176.46 2jyc s THR 151 N -0.44 5.19 0.00 -0.71 -4.23 -0.45 -2.32 115.64 112.69 2jyc s THR 151 Ca 0.12 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 61.52 2jyc s THR 151 Cb -0.12 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.93 2jyc s THR 151 CO 0.01 0.31 0.00 -0.11 -0.54 0.00 0.00 174.62 174.30