#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 0.47 0.18 -1.84 0.00 -1.26 -4.95 121.76 114.36 2jyc s ALA 2 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.64 2jyc s ALA 2 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.50 2jyc s ALA 2 CO 0.00 -1.93 0.00 0.45 0.00 0.00 0.00 175.76 174.28 2jyc n SER 3 N 4.59 0.01 -1.80 0.00 2.88 -1.26 -5.03 113.62 113.01 2jyc n SER 3 Ca 0.05 0.31 -0.17 0.00 -1.33 0.00 0.00 58.87 57.72 2jyc n SER 3 Cb 0.41 0.21 -0.05 0.00 -0.75 0.00 0.00 64.21 64.03 2jyc n SER 3 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2jyc n SER 4 N -3.18 -4.67 -4.16 -3.46 3.41 -1.26 -4.95 113.62 95.35 2jyc n SER 4 Ca 0.00 0.31 -0.18 0.00 -0.26 0.00 0.00 58.87 58.73 2jyc n SER 4 Cb 0.00 -4.11 -0.12 0.00 -0.26 0.00 0.00 64.21 59.72 2jyc n SER 4 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2jyc s LEU 5 N -4.79 2.26 -0.29 1.04 0.05 -1.26 -5.10 118.68 110.60 2jyc s LEU 5 Ca 0.00 -0.59 0.01 0.00 0.05 0.00 0.00 54.13 53.60 2jyc s LEU 5 Cb 0.00 -0.51 0.18 0.00 -2.05 0.00 0.00 46.19 43.81 2jyc s LEU 5 CO 0.00 -0.07 0.54 0.21 -0.55 0.00 0.00 176.35 176.48 2jyc s ASN 6 N -1.66 -1.00 -0.01 1.48 2.47 -1.26 -5.15 114.94 109.82 2jyc s ASN 6 Ca -0.02 0.41 -0.16 0.00 0.42 0.00 0.00 52.86 53.51 2jyc s ASN 6 Cb -0.10 1.84 -0.06 0.00 -1.45 0.00 0.00 41.25 41.49 2jyc s ASN 6 CO 0.02 -0.29 0.44 -1.61 -3.72 0.00 0.00 177.10 171.94 2jyc s GLU 7 N 2.76 4.02 -0.21 0.43 2.02 -1.26 -5.06 118.70 121.41 2jyc s GLU 7 Ca 0.15 0.45 0.01 0.00 0.02 0.00 0.00 54.97 55.60 2jyc s GLU 7 Cb -0.13 -3.26 0.05 0.00 0.10 0.00 0.00 34.13 30.89 2jyc s GLU 7 CO -0.23 0.60 -0.09 -0.51 0.02 0.00 0.00 175.26 175.05 2jyc s ASP 8 N -0.80 3.53 0.82 -0.19 1.01 -1.26 -5.13 116.67 114.65 2jyc s ASP 8 Ca 0.24 -0.98 -0.07 0.00 0.71 0.00 0.00 52.55 52.46 2jyc s ASP 8 Cb -0.17 -1.21 0.16 0.00 1.01 0.00 0.00 42.92 42.71 2jyc s ASP 8 CO 0.13 -0.18 1.13 -2.16 0.21 0.00 0.00 175.17 174.31 2jyc s PRO 9 N 1.40 1.24 -0.30 8.23 0.04 -1.26 -5.10 135.00 139.24 2jyc s PRO 9 Ca -0.03 -0.87 -0.07 0.00 0.04 0.00 0.00 61.00 60.08 2jyc s PRO 9 Cb -0.17 -2.14 0.19 0.00 0.04 0.00 0.00 34.50 32.41 2jyc s PRO 9 CO -0.07 -1.85 0.89 -2.00 0.04 0.00 0.00 177.00 174.00 2jyc s GLU 10 N -5.44 0.31 -1.43 4.56 2.56 -1.26 -5.06 118.70 112.93 2jyc s GLU 10 Ca 0.70 0.43 -0.12 0.00 0.00 0.00 0.00 54.97 55.97 2jyc s GLU 10 Cb -0.04 0.22 0.06 0.00 2.00 0.00 0.00 34.13 36.37 2jyc s GLU 10 CO 0.48 -0.46 2.23 0.41 -0.56 0.00 0.00 175.26 177.37 2jyc n GLY 11 N 5.35 4.51 3.54 -1.50 0.00 -1.26 -4.79 105.19 111.03 2jyc n GLY 11 Ca 0.01 -1.71 -0.08 0.00 0.00 0.00 0.00 46.02 44.25 2jyc n GLY 11 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jyc s SER 12 N 2.48 -0.35 0.00 1.61 0.15 -1.26 -5.12 113.70 111.21 2jyc s SER 12 Ca 0.48 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.06 2jyc s SER 12 Cb 0.14 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2jyc s SER 12 CO -0.07 -0.71 0.00 0.54 1.20 0.00 0.00 173.24 174.21 2jyc n ARG 13 N -0.30 0.00 -3.15 5.44 5.12 -1.26 -4.68 116.66 117.83 2jyc n ARG 13 Ca -0.09 0.13 -0.40 0.00 -1.93 0.00 0.00 57.85 55.56 2jyc n ARG 13 Cb 0.62 -0.53 -0.06 0.00 -1.16 0.00 0.00 32.46 31.33 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 -0.65 5.03 -0.08 0.55 1.01 -1.26 -1.00 121.20 124.80 2jyc s ILE 14 Ca 0.00 1.09 0.05 0.00 0.00 0.00 0.00 60.65 61.79 2jyc s ILE 14 Cb 0.00 -3.91 -0.00 0.00 0.01 0.00 0.00 42.46 38.56 2jyc s ILE 14 CO 0.00 0.09 -0.23 -0.89 0.00 0.00 0.00 174.94 173.91 2jyc s THR 15 N 2.13 1.93 -0.20 2.92 2.01 -0.43 -5.00 115.64 119.00 2jyc s THR 15 Ca 0.26 -0.97 -0.10 0.00 0.31 0.00 0.00 61.69 61.19 2jyc s THR 15 Cb -0.16 -1.66 -0.05 0.00 0.01 0.00 0.00 72.50 70.65 2jyc s THR 15 CO 0.09 0.53 0.13 -0.31 -0.69 0.00 0.00 174.62 174.38 2jyc s TYR 16 N 0.16 3.39 0.00 4.92 2.02 -1.26 -0.24 117.35 126.34 2jyc s TYR 16 Ca -0.12 0.30 0.05 0.00 -0.37 0.00 0.00 57.07 56.92 2jyc s TYR 16 Cb -0.16 -2.17 -0.01 0.00 -0.40 0.00 0.00 41.96 39.22 2jyc s TYR 16 CO 0.06 0.25 -0.14 0.08 -1.57 0.00 0.00 175.55 174.22 2jyc s VAL 17 N 0.47 1.14 -0.20 0.71 1.01 0.11 -4.95 120.40 118.68 2jyc s VAL 17 Ca 0.08 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 2jyc s VAL 17 Cb -0.11 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 2jyc s VAL 17 CO -0.01 0.25 -0.06 -1.59 0.00 0.00 0.00 175.10 173.68 2jyc s LYS 18 N -0.54 3.38 0.00 2.72 -2.85 -1.26 -1.21 119.74 119.98 2jyc s LYS 18 Ca 0.05 -0.64 0.00 0.00 -1.00 0.00 0.00 55.97 54.38 2jyc s LYS 18 Cb -0.06 -2.93 0.00 0.00 -2.06 0.00 0.00 37.83 32.78 2jyc s LYS 18 CO -0.00 -0.11 0.00 0.41 0.10 0.00 0.00 175.35 175.75 2jyc n GLY 19 N 4.53 -0.88 3.41 0.59 0.00 -1.26 -5.02 105.19 106.56 2jyc n GLY 19 Ca -0.18 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 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 5.00 0.48 1.61 2.15 -1.26 -4.92 116.67 115.72 2jyc s ASP 20 Ca 0.00 -0.30 0.27 0.00 0.43 0.00 0.00 52.55 52.95 2jyc s ASP 20 Cb 0.00 -1.89 1.01 0.00 -0.30 0.00 0.00 42.92 41.74 2jyc s ASP 20 CO 0.00 -0.05 1.86 0.25 -0.17 0.00 0.00 175.17 177.05 2jyc h LEU 21 N 8.22 0.00 0.00 -1.34 7.12 -1.98 -2.93 115.31 124.40 2jyc h LEU 21 Ca -0.38 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.63 2jyc h LEU 21 Cb 1.17 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.30 2jyc h LEU 21 CO 0.59 0.13 -0.45 0.49 -0.13 0.00 0.00 178.44 179.07 2jyc n PHE 22 N -3.25 0.59 1.41 1.25 3.01 -1.26 -3.36 117.46 115.85 2jyc n PHE 22 Ca 0.01 0.17 0.12 0.00 1.01 0.00 0.00 57.45 58.76 2jyc n PHE 22 Cb 0.40 -0.69 0.47 0.00 -0.01 0.00 0.00 39.48 39.65 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 -1.78 2.55 -1.75 4.37 0.00 -1.10 -4.94 120.51 117.85 2jyc n ALA 23 Ca 0.04 -0.46 -0.36 0.00 0.00 0.00 0.00 53.44 52.66 2jyc n ALA 23 Cb 0.43 -1.15 0.03 0.00 0.00 0.00 0.00 19.45 18.76 2jyc n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jyc s PRO 25 N -3.21 0.92 0.19 0.00 0.05 -1.26 -4.97 135.00 126.71 2jyc s PRO 25 Ca 0.76 -0.61 0.24 0.00 0.05 0.00 0.00 61.00 61.43 2jyc s PRO 25 Cb -0.32 -1.98 0.91 0.00 0.05 0.00 0.00 34.50 33.16 2jyc s PRO 25 CO 0.35 -2.15 1.72 0.36 0.05 0.00 0.00 177.00 177.34 2jyc n LYS 26 N -3.51 0.17 0.14 4.56 -0.00 -1.26 -3.22 118.16 115.05 2jyc n LYS 26 Ca 0.15 0.29 0.13 0.00 -0.00 0.00 0.00 58.31 58.89 2jyc n LYS 26 Cb 0.60 -1.77 0.44 0.00 -0.00 0.00 0.00 35.03 34.30 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 -3.50 0.58 1.35 -1.93 -3.39 112.91 106.01 2jyc h THR 27 Ca 0.00 -0.44 -0.66 0.00 -0.55 0.00 0.00 66.41 64.76 2jyc h THR 27 Cb 0.48 1.34 -0.18 0.00 -1.73 0.00 0.00 68.15 68.07 2jyc h THR 27 CO 0.00 0.00 -0.79 -1.81 -0.25 0.00 0.00 175.52 172.67 2jyc s ASP 28 N -4.67 3.89 0.40 5.36 1.01 -1.20 -4.48 116.67 116.98 2jyc s ASP 28 Ca 0.07 -0.61 0.08 0.00 0.71 0.00 0.00 52.55 52.80 2jyc s ASP 28 Cb 0.10 -0.53 -0.01 0.00 1.01 0.00 0.00 42.92 43.49 2jyc s ASP 28 CO 0.53 0.15 0.44 -0.44 0.21 0.00 0.00 175.17 176.06 2jyc s SER 29 N -2.36 5.37 -0.00 0.27 0.01 0.04 -4.78 113.70 112.25 2jyc s SER 29 Ca 0.20 -0.55 0.06 0.00 1.31 0.00 0.00 55.95 56.97 2jyc s SER 29 Cb -0.10 -0.73 -0.02 0.00 0.21 0.00 0.00 66.02 65.39 2jyc s SER 29 CO 0.11 -0.62 -0.19 -0.22 0.41 0.00 0.00 173.24 172.73 2jyc s LEU 30 N -4.18 2.06 0.10 2.44 0.20 -0.51 0.34 118.68 119.13 2jyc s LEU 30 Ca 0.49 -0.38 0.04 0.00 0.69 0.00 0.00 54.13 54.97 2jyc s LEU 30 Cb -0.06 -0.98 -0.04 0.00 -0.43 0.00 0.00 46.19 44.68 2jyc s LEU 30 CO 0.30 0.22 -0.11 0.00 -0.29 0.00 0.00 176.35 176.47 2jyc s ALA 31 N -0.52 1.17 0.06 5.97 0.00 -0.62 0.74 121.76 128.56 2jyc s ALA 31 Ca 0.07 -1.20 -0.16 0.00 0.00 0.00 0.00 51.96 50.68 2jyc s ALA 31 Cb -0.08 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.08 2jyc s ALA 31 CO -0.00 -0.01 0.37 -1.01 0.00 0.00 0.00 175.76 175.11 2jyc s HIS 32 N -2.35 -0.19 -0.17 0.00 0.09 0.24 -4.11 115.29 108.81 2jyc s HIS 32 Ca 0.06 0.05 -0.08 0.00 -0.00 0.00 0.00 55.06 55.08 2jyc s HIS 32 Cb -0.03 0.18 -0.05 0.00 -0.00 0.00 0.00 32.58 32.68 2jyc s HIS 32 CO 0.01 -0.57 0.13 0.00 -0.00 0.00 0.00 174.74 174.30 2jyc s ILE 34 N -0.20 0.00 0.13 0.00 -4.36 0.17 -4.90 121.20 112.05 2jyc s ILE 34 Ca 0.10 -1.93 -0.10 0.00 -0.26 0.00 0.00 60.65 58.47 2jyc s ILE 34 Cb -0.11 -2.48 -0.06 0.00 1.25 0.00 0.00 42.46 41.05 2jyc s ILE 34 CO 0.01 0.00 0.45 -0.94 0.24 0.00 0.00 174.94 174.69 2jyc s SER 35 N -3.20 6.64 0.56 4.36 1.04 -1.25 -2.53 113.70 119.31 2jyc s SER 35 Ca 0.38 0.83 0.31 0.00 0.48 0.00 0.00 55.95 57.94 2jyc s SER 35 Cb 0.05 -2.19 1.66 0.00 0.10 0.00 0.00 66.02 65.64 2jyc s SER 35 CO 0.16 0.09 2.14 1.05 0.98 0.00 0.00 173.24 177.67 2jyc h GLU 36 N 3.30 0.00 -0.00 4.02 -0.00 -0.57 0.18 114.58 121.51 2jyc h GLU 36 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 2jyc h GLU 36 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.93 2jyc h GLU 36 CO 0.68 0.07 -0.09 -3.47 -0.00 0.00 0.00 179.01 176.20 2jyc n ASP 37 N -3.56 0.09 -1.04 3.06 2.03 -1.22 -4.81 116.55 111.11 2jyc n ASP 37 Ca -0.02 0.33 -0.14 0.00 0.52 0.00 0.00 54.79 55.49 2jyc n ASP 37 Cb 0.19 -0.36 -0.06 0.00 -0.72 0.00 0.00 41.12 40.17 2jyc n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jyc h ARG 39 N 0.04 -0.19 0.00 0.00 3.08 -1.91 -3.46 114.38 111.94 2jyc h ARG 39 Ca -0.28 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.79 2jyc h ARG 39 Cb 1.06 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2jyc h ARG 39 CO 0.41 0.10 0.00 -1.33 -1.07 0.00 0.00 179.97 178.08 2jyc n MET 40 N -5.05 0.00 0.00 0.04 2.81 -1.26 -4.80 117.12 108.86 2jyc n MET 40 Ca -0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 2jyc n MET 40 Cb 0.20 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.71 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 1.13 3.31 3.03 0.00 -1.26 -4.84 105.19 106.57 2jyc n GLY 41 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.28 -0.26 0.00 4.61 0.00 -1.26 -4.93 121.76 119.65 2jyc s ALA 42 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2jyc s ALA 42 Cb 0.00 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.85 2jyc s ALA 42 CO 0.00 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2jyc n GLY 43 N -0.18 -1.78 0.20 0.00 0.00 -1.26 -3.99 105.19 98.17 2jyc n GLY 43 Ca -0.11 -1.75 0.10 0.00 0.00 0.00 0.00 46.02 44.26 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 0.15 -0.15 -0.61 2.10 -1.98 -3.24 117.51 113.78 2jyc h ILE 44 Ca 0.00 -1.21 -0.09 0.00 1.08 0.00 0.00 64.86 64.64 2jyc h ILE 44 Cb 0.00 2.06 -0.01 0.00 -1.09 0.00 0.00 36.82 37.77 2jyc h ILE 44 CO 0.00 0.08 -0.29 0.00 -1.08 0.00 0.00 178.15 176.87 2jyc h ALA 45 N 1.91 1.24 -0.70 0.18 0.00 -1.94 -2.88 119.26 117.08 2jyc h ALA 45 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2jyc h ALA 45 Cb 1.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2jyc h ALA 45 CO 0.01 0.51 0.36 -0.24 0.00 0.00 0.00 179.25 179.89 2jyc h VAL 46 N 0.25 1.21 -0.78 0.00 3.04 -1.69 -0.42 116.25 117.87 2jyc h VAL 46 Ca 0.04 -0.56 -0.01 0.00 -1.01 0.00 0.00 66.70 65.15 2jyc h VAL 46 Cb 0.64 0.29 -0.04 0.00 -2.01 0.00 0.00 31.29 30.18 2jyc h VAL 46 CO 0.05 0.25 0.44 -0.07 -1.01 0.00 0.00 177.57 177.23 2jyc h LEU 47 N 0.98 0.96 -0.19 3.16 3.38 -1.69 -1.46 115.31 120.45 2jyc h LEU 47 Ca 0.25 -0.07 -0.22 0.00 0.09 0.00 0.00 57.88 57.93 2jyc h LEU 47 Cb 0.06 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2jyc h LEU 47 CO -0.04 0.76 -0.93 -0.26 0.09 0.00 0.00 178.44 178.06 2jyc h PHE 48 N 1.09 0.54 -0.05 1.13 -1.00 -1.18 -1.55 116.94 115.92 2jyc h PHE 48 Ca 0.28 -0.30 -0.14 0.00 2.81 0.00 0.00 57.97 60.62 2jyc h PHE 48 Cb -0.00 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.48 2jyc h PHE 48 CO 0.01 1.12 -0.60 1.57 -1.61 0.00 0.00 178.31 178.79 2jyc h LYS 49 N 0.20 0.17 -0.19 1.51 5.09 -0.89 -0.52 116.57 121.94 2jyc h LYS 49 Ca -0.07 -0.11 -0.17 0.00 0.09 0.00 0.00 60.65 60.38 2jyc h LYS 49 Cb 1.57 0.02 0.00 0.00 0.10 0.00 0.00 32.23 33.92 2jyc h LYS 49 CO 0.16 0.72 -0.54 0.87 -2.09 0.00 0.00 179.45 178.56 2jyc h LYS 50 N 0.12 0.70 0.08 0.07 1.57 -1.22 -1.65 116.57 116.25 2jyc h LYS 50 Ca -0.01 -0.50 -0.17 0.00 -1.87 0.00 0.00 60.65 58.10 2jyc h LYS 50 Cb 1.09 0.08 0.02 0.00 0.08 0.00 0.00 32.23 33.50 2jyc h LYS 50 CO 0.09 1.12 -0.72 0.87 -0.57 0.00 0.00 179.45 180.24 2jyc h LYS 51 N 0.40 0.35 -0.00 3.15 1.57 -1.18 -3.36 116.57 117.50 2jyc h LYS 51 Ca -0.01 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2jyc h LYS 51 Cb 1.16 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2jyc h LYS 51 CO 0.12 1.18 -0.87 1.19 -0.57 0.00 0.00 179.45 180.50 2jyc n PHE 52 N -4.17 0.00 -2.74 -1.35 3.72 -0.21 -4.95 117.46 107.76 2jyc n PHE 52 Ca -0.12 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.11 2jyc n PHE 52 Cb 0.76 -0.04 0.02 0.00 -0.94 0.00 0.00 39.48 39.28 2jyc n PHE 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jyc n GLY 53 N 1.49 -0.26 0.26 1.37 0.00 -0.62 -4.90 105.19 102.54 2jyc n GLY 53 Ca 0.05 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.06 2jyc n GLY 53 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jyc h GLY 54 N -0.88 0.00 0.10 -0.02 0.00 -1.73 -3.21 103.07 97.34 2jyc h GLY 54 Ca -0.41 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.02 2jyc h GLY 54 CO 0.44 0.00 -0.05 -2.08 0.00 0.00 0.00 176.54 174.86 2jyc h VAL 55 N 0.00 0.56 -0.34 4.60 2.07 -1.88 0.27 116.25 121.54 2jyc h VAL 55 Ca -0.00 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 2jyc h VAL 55 Cb 0.06 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2jyc h VAL 55 CO 0.00 0.01 -0.02 1.56 0.02 0.00 0.00 177.57 179.14 2jyc h GLN 56 N 0.07 0.61 -0.25 1.57 7.50 -1.95 0.15 115.11 122.80 2jyc h GLN 56 Ca 0.25 -0.21 -0.10 0.00 0.50 0.00 0.00 58.65 59.09 2jyc h GLN 56 Cb 0.38 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.85 2jyc h GLN 56 CO -0.46 0.75 -0.26 0.93 -1.50 0.00 0.00 178.83 178.30 2jyc h GLU 57 N 0.41 0.48 -0.15 1.46 5.08 -1.43 0.21 114.58 120.64 2jyc h GLU 57 Ca 0.09 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 2jyc h GLU 57 Cb 0.49 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2jyc h GLU 57 CO 0.02 0.70 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.29 2jyc h LEU 58 N 0.42 0.59 -0.88 1.33 3.38 -0.32 -2.14 115.31 117.70 2jyc h LEU 58 Ca 0.06 -0.58 -0.10 0.00 0.09 0.00 0.00 57.88 57.35 2jyc h LEU 58 Cb 0.68 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2jyc h LEU 58 CO 0.05 1.06 -0.29 -0.07 0.09 0.00 0.00 178.44 179.28 2jyc h LEU 59 N 0.14 0.50 -1.27 1.67 3.38 -0.48 0.11 115.31 119.37 2jyc h LEU 59 Ca -0.01 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 2jyc h LEU 59 Cb 0.99 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2jyc h LEU 59 CO 0.08 0.77 -0.36 0.78 0.09 0.00 0.00 178.44 179.81 2jyc h ASN 60 N 0.43 0.00 0.51 -0.43 2.35 -0.58 -2.01 115.58 115.85 2jyc h ASN 60 Ca 0.06 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 2jyc h ASN 60 Cb 0.73 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.08 2jyc h ASN 60 CO 0.06 0.36 -0.64 1.56 -1.65 0.00 0.00 177.43 177.11 2jyc h GLN 61 N 0.00 0.12 -5.91 0.81 4.20 -0.86 -3.49 115.11 109.98 2jyc h GLN 61 Ca -0.00 -0.09 -0.19 0.00 0.06 0.00 0.00 58.65 58.42 2jyc h GLN 61 Cb 0.66 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.47 2jyc h GLN 61 CO 0.05 0.72 -0.83 0.94 -0.67 0.00 0.00 178.83 179.04 2jyc n GLN 62 N -3.81 -2.12 -4.01 1.46 7.27 -0.02 -5.01 117.38 111.13 2jyc n GLN 62 Ca -0.02 1.75 -0.28 0.00 0.07 0.00 0.00 57.00 58.52 2jyc n GLN 62 Cb 0.64 -3.93 -0.05 0.00 2.41 0.00 0.00 30.24 29.31 2jyc n GLN 62 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2jyc s LYS 63 N -2.63 3.12 0.45 3.69 -0.14 -1.26 -5.08 119.74 117.90 2jyc s LYS 63 Ca 0.30 -0.69 0.04 0.00 -1.36 0.00 0.00 55.97 54.25 2jyc s LYS 63 Cb -0.05 -2.81 -0.05 0.00 -1.68 0.00 0.00 37.83 33.24 2jyc s LYS 63 CO 0.82 0.53 0.02 0.15 -0.76 0.00 0.00 175.35 176.11 2jyc s LYS 64 N -2.88 2.04 0.09 1.68 -0.14 -1.26 -4.73 119.74 114.54 2jyc s LYS 64 Ca 0.32 -2.23 -0.34 0.00 -1.36 0.00 0.00 55.97 52.36 2jyc s LYS 64 Cb -0.11 -1.49 -0.13 0.00 -1.68 0.00 0.00 37.83 34.42 2jyc s LYS 64 CO 0.25 -0.22 1.67 -1.13 -0.76 0.00 0.00 175.35 175.17 2jyc n SER 65 N -1.10 3.25 0.00 2.83 3.41 -1.26 -1.28 113.62 119.48 2jyc n SER 65 Ca -0.11 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 2jyc n SER 65 Cb 0.67 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 2jyc n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jyc n GLY 66 N 3.73 0.41 3.59 5.00 0.00 -0.55 -5.01 105.19 112.36 2jyc n GLY 66 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 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 2.02 -0.05 1.61 2.02 -0.40 -4.14 118.70 118.96 2jyc s GLU 67 Ca 0.00 -1.67 0.06 0.00 0.02 0.00 0.00 54.97 53.38 2jyc s GLU 67 Cb 0.00 -1.94 -0.01 0.00 0.10 0.00 0.00 34.13 32.28 2jyc s GLU 67 CO 0.00 0.25 -0.24 0.54 0.02 0.00 0.00 175.26 175.83 2jyc s VAL 68 N -2.47 1.96 -0.06 2.63 0.11 -1.26 -1.93 120.40 119.39 2jyc s VAL 68 Ca 0.33 -1.02 -0.04 0.00 -2.93 0.00 0.00 61.98 58.31 2jyc s VAL 68 Cb -0.03 -1.66 -0.04 0.00 -1.53 0.00 0.00 36.38 33.12 2jyc s VAL 68 CO 0.18 0.55 0.14 0.00 -3.33 0.00 0.00 175.10 172.64 2jyc s ALA 69 N -0.19 3.83 -0.01 1.54 0.00 0.07 -4.94 121.76 122.06 2jyc s ALA 69 Ca -0.02 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.24 2jyc s ALA 69 Cb -0.13 -1.85 -0.00 0.00 0.00 0.00 0.00 23.12 21.13 2jyc s ALA 69 CO 0.03 0.68 -0.08 0.08 0.00 0.00 0.00 175.76 176.46 2jyc s VAL 70 N -1.15 0.68 -0.01 0.00 1.01 -1.26 -0.25 120.40 119.41 2jyc s VAL 70 Ca 0.21 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.91 2jyc s VAL 70 Cb -0.12 -0.58 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 2jyc s VAL 70 CO 0.11 0.20 -0.26 -0.76 0.00 0.00 0.00 175.10 174.39 2jyc s LEU 71 N -0.11 2.09 -0.18 3.92 1.43 0.57 -4.93 118.68 121.47 2jyc s LEU 71 Ca 0.02 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 52.47 2jyc s LEU 71 Cb -0.04 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 2jyc s LEU 71 CO -0.00 0.31 0.43 -0.75 0.23 0.00 0.00 176.35 176.57 2jyc s LYS 72 N -0.70 4.23 -0.15 1.70 2.47 -1.26 0.09 119.74 126.12 2jyc s LYS 72 Ca 0.10 0.29 -0.03 0.00 -1.56 0.00 0.00 55.97 54.76 2jyc s LYS 72 Cb -0.10 -3.50 0.05 0.00 -1.46 0.00 0.00 37.83 32.82 2jyc s LYS 72 CO -0.01 0.03 0.06 0.50 0.16 0.00 0.00 175.35 176.09 2jyc s ARG 73 N 1.09 0.33 0.22 4.03 6.06 -0.04 -4.96 118.95 125.67 2jyc s ARG 73 Ca 0.21 -0.14 0.00 0.00 -2.50 0.00 0.00 55.73 53.30 2jyc s ARG 73 Cb -0.15 -1.71 0.00 0.00 0.06 0.00 0.00 34.95 33.16 2jyc s ARG 73 CO 0.08 -0.58 0.00 -3.47 -2.50 0.00 0.00 175.30 168.83 2jyc n ASP 74 N 5.18 0.00 0.00 -2.12 2.03 -1.26 -0.50 116.55 119.88 2jyc n ASP 74 Ca -0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.24 2jyc n ASP 74 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 2jyc n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jyc n GLY 75 N 0.00 1.19 3.16 0.27 0.00 -1.26 -5.06 105.19 103.49 2jyc n GLY 75 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.68 0.94 -0.04 1.61 1.70 0.34 -4.81 118.95 118.01 2jyc s ARG 76 Ca 0.00 -1.45 0.02 0.00 -0.47 0.00 0.00 55.73 53.83 2jyc s ARG 76 Cb 0.00 0.21 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 2jyc s ARG 76 CO 0.00 -0.25 -0.07 0.71 -1.08 0.00 0.00 175.30 174.61 2jyc s TYR 77 N -4.02 2.92 -0.23 5.89 2.02 -1.26 -0.86 117.35 121.81 2jyc s TYR 77 Ca 0.24 0.00 -0.08 0.00 -0.37 0.00 0.00 57.07 56.87 2jyc s TYR 77 Cb 0.07 -1.67 -0.04 0.00 -0.40 0.00 0.00 41.96 39.93 2jyc s TYR 77 CO 0.02 0.35 0.08 0.42 -1.57 0.00 0.00 175.55 174.85 2jyc s ILE 78 N -0.88 4.57 -0.03 2.71 -1.09 0.11 -1.42 121.20 125.18 2jyc s ILE 78 Ca 0.14 -0.09 -0.02 0.00 -2.23 0.00 0.00 60.65 58.45 2jyc s ILE 78 Cb -0.11 -3.12 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 2jyc s ILE 78 CO 0.04 0.37 0.10 -0.31 -1.23 0.00 0.00 174.94 173.90 2jyc s TYR 79 N 1.23 3.37 -0.31 3.97 1.51 0.23 -0.32 117.35 127.02 2jyc s TYR 79 Ca 0.05 0.28 -0.01 0.00 -1.01 0.00 0.00 57.07 56.38 2jyc s TYR 79 Cb -0.14 -1.79 0.10 0.00 -0.11 0.00 0.00 41.96 40.02 2jyc s TYR 79 CO 0.04 0.59 0.10 0.71 -1.11 0.00 0.00 175.55 175.88 2jyc s TYR 80 N -1.17 1.70 -0.17 2.71 2.02 0.65 -0.59 117.35 122.50 2jyc s TYR 80 Ca 0.22 -1.75 -0.29 0.00 -0.37 0.00 0.00 57.07 54.87 2jyc s TYR 80 Cb -0.12 -1.71 -0.01 0.00 -0.40 0.00 0.00 41.96 39.72 2jyc s TYR 80 CO 0.12 -0.87 1.27 -0.51 -1.57 0.00 0.00 175.55 173.99 2jyc s LEU 81 N 1.57 4.16 -0.50 -1.29 2.01 0.77 -0.75 118.68 124.65 2jyc s LEU 81 Ca 0.10 1.66 -0.21 0.00 0.01 0.00 0.00 54.13 55.70 2jyc s LEU 81 Cb -0.17 -3.54 0.04 0.00 0.01 0.00 0.00 46.19 42.53 2jyc s LEU 81 CO -0.24 -0.78 0.71 -0.63 1.01 0.00 0.00 176.35 176.41 2jyc s ILE 82 N 3.56 4.75 0.00 -0.59 -1.09 -0.81 -0.65 121.20 126.36 2jyc s ILE 82 Ca 0.55 -0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.83 2jyc s ILE 82 Cb -0.21 -4.33 0.00 0.00 -1.58 0.00 0.00 42.46 36.34 2jyc s ILE 82 CO 0.15 -0.82 0.00 0.35 -1.23 0.00 0.00 174.94 173.39 2jyc n THR 83 N 5.82 0.00 -4.27 2.92 -2.24 -1.05 -1.48 114.28 113.98 2jyc n THR 83 Ca -0.03 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.41 2jyc n THR 83 Cb 0.47 0.46 -0.13 0.00 -2.10 0.00 0.00 70.33 69.02 2jyc n THR 83 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2jyc s LYS 84 N -1.89 3.49 0.11 -0.78 1.02 -1.17 -4.42 119.74 116.10 2jyc s LYS 84 Ca 0.00 -0.60 -0.10 0.00 0.02 0.00 0.00 55.97 55.29 2jyc s LYS 84 Cb 0.00 -2.90 -0.12 0.00 -0.52 0.00 0.00 37.83 34.28 2jyc s LYS 84 CO 0.00 0.04 1.30 0.87 -0.92 0.00 0.00 175.35 176.65 2jyc h LYS 85 N 7.33 0.66 -5.47 1.68 1.57 -1.92 0.25 116.57 120.67 2jyc h LYS 85 Ca -0.34 -0.59 -0.49 0.00 -1.87 0.00 0.00 60.65 57.36 2jyc h LYS 85 Cb 1.18 0.14 -0.14 0.00 0.08 0.00 0.00 32.23 33.49 2jyc h LYS 85 CO 0.60 1.20 -0.67 1.03 -0.57 0.00 0.00 179.45 181.05 2jyc s ARG 86 N -3.57 1.56 0.51 3.15 1.81 -1.26 -3.44 118.95 117.71 2jyc s ARG 86 Ca -0.09 -1.80 0.16 0.00 -1.72 0.00 0.00 55.73 52.29 2jyc s ARG 86 Cb 0.09 -1.12 1.24 0.00 -0.45 0.00 0.00 34.95 34.71 2jyc s ARG 86 CO 0.89 0.01 2.13 0.00 -0.68 0.00 0.00 175.30 177.65 2jyc h ALA 87 N 2.26 1.93 -0.60 2.13 0.00 -1.94 -0.76 119.26 122.29 2jyc h ALA 87 Ca -0.40 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2jyc h ALA 87 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jyc h ALA 87 CO 0.68 0.04 0.00 0.43 0.00 0.00 0.00 179.25 180.39 2jyc n SER 88 N -4.48 3.40 -4.79 0.00 7.64 -1.26 -4.98 113.62 109.15 2jyc n SER 88 Ca -0.03 -2.07 -0.30 0.00 1.01 0.00 0.00 58.87 57.48 2jyc n SER 88 Cb 0.12 -0.43 0.09 0.00 -1.01 0.00 0.00 64.21 62.98 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 -1.30 2.77 -0.15 1.43 3.76 -0.29 -5.06 115.29 116.45 2jyc s HIS 89 Ca 0.41 1.21 -0.01 0.00 -0.15 0.00 0.00 55.06 56.52 2jyc s HIS 89 Cb 0.22 -3.10 -0.02 0.00 1.11 0.00 0.00 32.58 30.80 2jyc s HIS 89 CO 0.26 -1.81 -0.11 0.15 -0.85 0.00 0.00 174.74 172.39 2jyc s LYS 90 N -5.10 3.42 0.42 1.40 -0.14 -1.26 -4.92 119.74 113.56 2jyc s LYS 90 Ca 0.61 -0.65 -0.23 0.00 -1.36 0.00 0.00 55.97 54.33 2jyc s LYS 90 Cb -0.15 -2.72 -0.09 0.00 -1.68 0.00 0.00 37.83 33.19 2jyc s LYS 90 CO 0.55 0.16 1.06 -2.14 -0.76 0.00 0.00 175.35 174.21 2jyc s PRO 91 N 0.51 4.06 0.18 -1.68 0.02 -1.26 -4.84 135.00 131.99 2jyc s PRO 91 Ca -0.07 1.51 0.08 0.00 0.02 0.00 0.00 61.00 62.53 2jyc s PRO 91 Cb -0.15 -2.44 -0.04 0.00 0.02 0.00 0.00 34.50 31.88 2jyc s PRO 91 CO 0.04 -0.23 -0.05 0.95 -0.33 0.00 0.00 177.00 177.37 2jyc s THR 92 N -1.71 3.44 0.13 0.99 -4.23 -1.26 -4.83 115.64 108.17 2jyc s THR 92 Ca 0.60 -1.55 -0.19 0.00 -1.18 0.00 0.00 61.69 59.37 2jyc s THR 92 Cb -0.21 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 2jyc s THR 92 CO 0.27 -0.12 1.73 1.88 -0.54 0.00 0.00 174.62 177.84 2jyc h TYR 93 N 2.79 0.02 -0.45 3.99 0.05 -1.97 0.26 116.97 121.67 2jyc h TYR 93 Ca -0.47 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.30 2jyc h TYR 93 Cb 1.20 0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.95 2jyc h TYR 93 CO 0.64 -0.01 0.17 0.93 -1.05 0.00 0.00 178.16 178.84 2jyc h GLU 94 N 0.10 0.67 -0.49 4.88 5.08 -1.99 0.16 114.58 122.99 2jyc h GLU 94 Ca 0.10 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 2jyc h GLU 94 Cb 0.12 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2jyc h GLU 94 CO -0.16 0.62 -0.19 -0.97 -1.00 0.00 0.00 179.01 177.31 2jyc h ASN 95 N 0.58 1.01 0.02 1.42 -1.24 -1.91 -2.53 115.58 112.93 2jyc h ASN 95 Ca 0.15 -0.37 -0.00 0.00 0.71 0.00 0.00 56.30 56.78 2jyc h ASN 95 Cb 0.21 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 38.98 2jyc h ASN 95 CO -0.01 1.17 -0.01 0.25 -1.29 0.00 0.00 177.43 177.54 2jyc h LEU 96 N 0.86 -0.02 -1.94 0.34 5.85 -0.09 -2.42 115.31 117.88 2jyc h LEU 96 Ca 0.12 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2jyc h LEU 96 Cb 0.76 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2jyc h LEU 96 CO 0.06 0.17 0.02 0.06 -0.34 0.00 0.00 178.44 178.41 2jyc h GLN 97 N -0.22 0.05 -0.44 1.25 3.07 -0.64 -0.67 115.11 117.51 2jyc h GLN 97 Ca -0.00 -0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.61 2jyc h GLN 97 Cb 0.21 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.74 2jyc h GLN 97 CO 0.00 0.04 -0.20 0.87 0.09 0.00 0.00 178.83 179.64 2jyc h LYS 98 N 0.05 0.87 -0.62 0.06 1.57 -1.20 0.18 116.57 117.49 2jyc h LYS 98 Ca 0.01 -0.35 -0.09 0.00 -1.87 0.00 0.00 60.65 58.35 2jyc h LYS 98 Cb 0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2jyc h LYS 98 CO -0.00 0.99 0.02 0.66 -0.57 0.00 0.00 179.45 180.56 2jyc h SER 99 N 0.76 1.06 -0.42 0.86 4.64 -0.67 -1.51 113.55 118.27 2jyc h SER 99 Ca 0.11 -0.30 0.03 0.00 -0.47 0.00 0.00 61.79 61.16 2jyc h SER 99 Cb 0.74 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 2jyc h SER 99 CO 0.06 1.09 0.23 -0.07 -0.87 0.00 0.00 176.83 177.27 2jyc h LEU 100 N 0.99 0.36 -0.16 5.97 -0.00 -0.97 0.50 115.31 121.98 2jyc h LEU 100 Ca 0.18 0.01 0.05 0.00 -0.00 0.00 0.00 57.88 58.12 2jyc h LEU 100 Cb 0.54 -0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 41.08 2jyc h LEU 100 CO 0.03 0.25 -0.16 -0.33 -0.00 0.00 0.00 178.44 178.23 2jyc h GLU 101 N 0.46 -0.18 -0.39 1.13 4.39 -0.38 0.46 114.58 120.08 2jyc h GLU 101 Ca 0.17 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2jyc h GLU 101 Cb 0.05 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2jyc h GLU 101 CO -0.10 -0.12 0.25 0.00 -1.16 0.00 0.00 179.01 177.89 2jyc h ALA 102 N 0.90 0.49 -0.18 3.43 0.00 -1.02 -0.21 119.26 122.66 2jyc h ALA 102 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jyc h ALA 102 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2jyc h ALA 102 CO -0.27 -0.05 0.10 1.98 0.00 0.00 0.00 179.25 181.01 2jyc h MET 103 N 0.52 0.25 -0.16 0.00 1.85 -0.38 -0.60 114.93 116.41 2jyc h MET 103 Ca 0.14 -0.03 -0.08 0.00 -0.61 0.00 0.00 59.70 59.13 2jyc h MET 103 Cb -0.06 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 31.91 2jyc h MET 103 CO -0.03 0.24 -0.24 1.57 -0.40 0.00 0.00 176.91 178.06 2jyc h LYS 104 N 0.20 0.29 -0.29 0.39 5.09 0.12 -1.83 116.57 120.53 2jyc h LYS 104 Ca 0.06 -0.09 -0.17 0.00 0.09 0.00 0.00 60.65 60.54 2jyc h LYS 104 Cb 0.06 -0.02 -0.00 0.00 0.10 0.00 0.00 32.23 32.37 2jyc h LYS 104 CO -0.01 0.52 -0.48 1.03 -2.09 0.00 0.00 179.45 178.42 2jyc h SER 105 N 0.26 0.93 -0.52 7.07 0.87 -0.77 -2.91 113.55 118.48 2jyc h SER 105 Ca 0.04 -0.52 -0.08 0.00 -1.23 0.00 0.00 61.79 60.00 2jyc h SER 105 Cb 0.57 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2jyc h SER 105 CO 0.04 1.27 0.02 -0.74 -0.53 0.00 0.00 176.83 176.88 2jyc h HIS 106 N 0.62 1.02 -0.34 2.24 -0.00 -0.79 -2.40 115.15 115.50 2jyc h HIS 106 Ca 0.02 -0.16 -0.03 0.00 -0.00 0.00 0.00 60.37 60.21 2jyc h HIS 106 Cb 1.08 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 28.20 2jyc h HIS 106 CO 0.07 0.91 0.10 0.00 -0.00 0.00 0.00 177.93 179.01 2jyc h LEU 108 N 0.49 0.98 -1.68 0.00 3.38 -1.23 0.35 115.31 117.60 2jyc h LEU 108 Ca 0.12 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2jyc h LEU 108 Cb 0.16 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2jyc h LEU 108 CO -0.01 0.80 -0.16 0.11 0.09 0.00 0.00 178.44 179.27 2jyc h LYS 109 N 1.09 0.00 -0.01 1.13 1.57 -1.12 -2.89 116.57 116.34 2jyc h LYS 109 Ca 0.28 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2jyc h LYS 109 Cb 0.03 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2jyc h LYS 109 CO -0.05 0.16 -0.34 0.09 -0.57 0.00 0.00 179.45 178.75 2jyc n ASN 110 N -4.35 1.44 -0.43 0.86 3.02 -0.97 -4.97 115.26 109.86 2jyc n ASN 110 Ca -0.03 -1.22 -0.04 0.00 -0.03 0.00 0.00 54.58 53.27 2jyc n ASN 110 Cb 0.23 0.52 -0.00 0.00 -0.61 0.00 0.00 39.78 39.92 2jyc n ASN 110 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jyc n GLY 111 N 1.11 0.22 3.61 7.41 0.00 0.26 -5.00 105.19 112.80 2jyc n GLY 111 Ca 0.06 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.20 4.97 0.00 1.61 1.01 0.98 -4.88 120.40 121.90 2jyc s VAL 112 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.94 2jyc s VAL 112 Cb -0.00 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.43 2jyc s VAL 112 CO 0.00 -0.05 0.38 0.35 0.00 0.00 0.00 175.10 175.78 2jyc n THR 113 N 5.29 0.10 -4.18 3.92 -2.24 -1.26 -4.44 114.28 111.47 2jyc n THR 113 Ca -0.01 -0.34 -0.28 0.00 -2.27 0.00 0.00 64.05 61.15 2jyc n THR 113 Cb 0.49 1.29 -0.17 0.00 -2.10 0.00 0.00 70.33 69.85 2jyc n THR 113 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jyc s ASP 114 N -0.10 2.36 -0.00 3.42 1.01 -1.26 -0.17 116.67 121.92 2jyc s ASP 114 Ca 0.00 -0.39 -0.00 0.00 0.71 0.00 0.00 52.55 52.87 2jyc s ASP 114 Cb 0.00 -1.01 -0.00 0.00 1.01 0.00 0.00 42.92 42.92 2jyc s ASP 114 CO 0.00 -0.04 0.00 -0.22 0.21 0.00 0.00 175.17 175.12 2jyc s LEU 115 N 1.31 1.99 -0.01 1.23 2.96 -1.08 -0.78 118.68 124.30 2jyc s LEU 115 Ca -0.01 -0.00 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 2jyc s LEU 115 Cb -0.14 0.01 -0.01 0.00 0.50 0.00 0.00 46.19 46.55 2jyc s LEU 115 CO -0.06 -0.01 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.36 2jyc s SER 116 N -0.03 1.97 -0.03 3.68 0.01 0.15 -0.95 113.70 118.50 2jyc s SER 116 Ca -0.00 -0.31 -0.10 0.00 1.31 0.00 0.00 55.95 56.84 2jyc s SER 116 Cb -0.00 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 66.03 2jyc s SER 116 CO -0.00 0.20 0.23 0.00 0.41 0.00 0.00 173.24 174.08 2jyc s MET 117 N -0.44 0.48 0.76 12.44 0.23 0.11 -1.59 119.30 131.30 2jyc s MET 117 Ca 0.06 -0.08 -0.11 0.00 -1.03 0.00 0.00 55.69 54.53 2jyc s MET 117 Cb -0.07 0.21 0.05 0.00 -1.53 0.00 0.00 34.83 33.49 2jyc s MET 117 CO -0.01 -0.11 1.08 -1.25 -2.03 0.00 0.00 175.02 172.70 2jyc s PRO 118 N -0.87 2.41 -0.80 3.16 0.04 -1.26 -0.39 135.00 137.29 2jyc s PRO 118 Ca -0.10 0.86 -0.25 0.00 0.04 0.00 0.00 61.00 61.55 2jyc s PRO 118 Cb -0.05 -1.94 -0.18 0.00 0.04 0.00 0.00 34.50 32.38 2jyc s PRO 118 CO 0.02 -1.45 2.48 -2.13 0.04 0.00 0.00 177.00 175.97 2jyc n ARG 119 N -3.35 0.43 0.20 4.56 0.63 0.71 -4.70 116.66 115.13 2jyc n ARG 119 Ca 0.07 -0.12 0.14 0.00 -0.92 0.00 0.00 57.85 57.02 2jyc n ARG 119 Cb 0.55 -2.39 0.42 0.00 0.45 0.00 0.00 32.46 31.49 2jyc n ARG 119 CO 0.00 0.00 0.00 -0.84 -2.51 0.00 0.00 177.63 174.28 2jyc h ILE 120 N 7.71 0.00 -0.68 5.15 3.07 -1.89 -3.35 117.51 127.52 2jyc h ILE 120 Ca -0.09 -0.62 -0.72 0.00 1.55 0.00 0.00 64.86 64.97 2jyc h ILE 120 Cb 1.23 1.58 -0.08 0.00 -0.27 0.00 0.00 36.82 39.28 2jyc h ILE 120 CO 1.30 0.00 2.79 0.61 -1.05 0.00 0.00 178.15 181.80 2jyc n GLY 121 N 0.64 4.67 3.25 0.16 0.00 -1.26 -4.86 105.19 107.80 2jyc n GLY 121 Ca 0.03 -1.83 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 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 4.74 0.61 3.57 0.00 0.00 -1.26 -4.98 105.19 107.87 2jyc n GLY 123 Ca -0.16 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 2jyc n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jyc s LEU 124 N -0.42 3.47 0.00 0.99 1.43 -1.26 -4.82 118.68 118.07 2jyc s LEU 124 Ca 0.00 -1.81 0.00 0.00 -1.03 0.00 0.00 54.13 51.29 2jyc s LEU 124 Cb 0.00 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.64 2jyc s LEU 124 CO 0.00 -1.95 0.09 -0.67 0.23 0.00 0.00 176.35 174.05 2jyc n ASP 125 N 10.79 0.00 -0.06 2.29 -0.08 -1.26 -4.18 116.55 124.05 2jyc n ASP 125 Ca 0.43 0.09 0.15 0.00 -1.51 0.00 0.00 54.79 53.95 2jyc n ASP 125 Cb 0.47 0.00 0.75 0.00 2.34 0.00 0.00 41.12 44.68 2jyc n ASP 125 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2jyc n ARG 126 N -0.15 0.74 -2.76 -0.67 1.74 -1.26 -4.88 116.66 109.42 2jyc n ARG 126 Ca 0.00 -0.13 -0.28 0.00 -0.77 0.00 0.00 57.85 56.67 2jyc n ARG 126 Cb 0.00 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 29.93 2jyc n ARG 126 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2jyc s LEU 127 N -2.35 3.73 -0.04 0.55 1.02 -1.26 -5.07 118.68 115.26 2jyc s LEU 127 Ca 0.35 0.98 0.02 0.00 0.02 0.00 0.00 54.13 55.50 2jyc s LEU 127 Cb 0.21 -3.90 0.01 0.00 0.02 0.00 0.00 46.19 42.53 2jyc s LEU 127 CO 0.43 -0.49 -0.08 -1.58 0.02 0.00 0.00 176.35 174.65 2jyc s GLN 128 N -4.35 1.06 0.31 1.70 2.00 -1.26 -4.78 119.66 114.35 2jyc s GLN 128 Ca 0.48 -0.26 -0.01 0.00 -2.00 0.00 0.00 55.36 53.57 2jyc s GLN 128 Cb -0.10 -0.97 0.50 0.00 0.80 0.00 0.00 33.01 33.23 2jyc s GLN 128 CO 0.39 0.04 1.97 2.35 -0.50 0.00 0.00 175.29 179.54 2jyc h TRP 129 N 6.74 0.95 -0.63 1.67 2.91 -1.97 -1.51 115.95 124.12 2jyc h TRP 129 Ca -0.34 0.02 0.10 0.00 1.13 0.00 0.00 58.89 59.79 2jyc h TRP 129 Cb 1.17 -0.32 -0.08 0.00 -0.51 0.00 0.00 29.16 29.42 2jyc h TRP 129 CO 0.47 0.61 0.24 1.49 -1.03 0.00 0.00 178.44 180.22 2jyc h GLU 130 N 1.02 0.40 -0.44 2.65 4.81 -1.98 0.46 114.58 121.51 2jyc h GLU 130 Ca 0.27 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 2jyc h GLU 130 Cb -0.09 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 2jyc h GLU 130 CO -0.06 0.27 0.13 -0.91 -0.73 0.00 0.00 179.01 177.71 2jyc h ASN 131 N 0.41 0.64 0.40 1.04 2.35 -1.73 -1.21 115.58 117.48 2jyc h ASN 131 Ca 0.32 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2jyc h ASN 131 Cb 0.41 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2jyc h ASN 131 CO -0.32 0.69 -0.19 0.58 -1.65 0.00 0.00 177.43 176.54 2jyc h VAL 132 N 0.57 0.61 -0.01 2.81 2.07 -0.48 -1.50 116.25 120.32 2jyc h VAL 132 Ca 0.14 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2jyc h VAL 132 Cb 0.28 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2jyc h VAL 132 CO -0.00 0.04 -0.13 -1.28 0.02 0.00 0.00 177.57 176.21 2jyc h SER 133 N -0.64 -0.39 0.01 0.57 0.87 -0.06 -0.12 113.55 113.78 2jyc h SER 133 Ca -0.05 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2jyc h SER 133 Cb 0.47 0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2jyc h SER 133 CO 0.09 -0.19 -0.01 0.00 -0.53 0.00 0.00 176.83 176.19 2jyc h ALA 134 N 0.75 -0.02 -0.95 6.23 0.00 -1.23 -2.30 119.26 121.75 2jyc h ALA 134 Ca 0.05 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.05 2jyc h ALA 134 Cb 0.29 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 2jyc h ALA 134 CO -0.14 -0.51 0.59 1.98 0.00 0.00 0.00 179.25 181.17 2jyc h MET 135 N -0.02 0.98 -0.40 0.00 -1.53 -1.01 0.11 114.93 113.05 2jyc h MET 135 Ca 0.00 -0.06 0.02 0.00 -3.44 0.00 0.00 59.70 56.22 2jyc h MET 135 Cb 0.02 -0.22 -0.03 0.00 -0.55 0.00 0.00 31.60 30.83 2jyc h MET 135 CO -0.01 0.65 0.23 0.82 0.14 0.00 0.00 176.91 178.74 2jyc h ILE 136 N 1.01 1.03 -0.19 1.77 2.04 -0.68 -0.90 117.51 121.59 2jyc h ILE 136 Ca 0.44 -0.16 -0.10 0.00 1.00 0.00 0.00 64.86 66.04 2jyc h ILE 136 Cb 0.32 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2jyc h ILE 136 CO -0.22 0.08 -0.31 -0.33 0.00 0.00 0.00 178.15 177.38 2jyc h GLU 137 N 0.46 0.37 -0.32 2.37 5.08 -0.68 -0.56 114.58 121.31 2jyc h GLU 137 Ca 0.16 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2jyc h GLU 137 Cb 0.02 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2jyc h GLU 137 CO -0.08 0.65 -0.17 0.93 -1.00 0.00 0.00 179.01 179.34 2jyc h GLU 138 N 0.33 0.59 -0.06 2.33 4.39 -0.27 0.14 114.58 122.03 2jyc h GLU 138 Ca 0.04 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.49 2jyc h GLU 138 Cb 0.71 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 2jyc h GLU 138 CO 0.05 0.73 -0.17 0.28 -1.16 0.00 0.00 179.01 178.75 2jyc h VAL 139 N 0.53 1.43 0.00 3.13 2.07 -0.76 -3.28 116.25 119.37 2jyc h VAL 139 Ca 0.09 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.06 2jyc h VAL 139 Cb 0.60 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2jyc h VAL 139 CO 0.04 0.43 0.00 0.49 0.02 0.00 0.00 177.57 178.55 2jyc n PHE 140 N -4.58 0.84 -0.36 1.57 3.72 -0.25 -4.01 117.46 114.39 2jyc n PHE 140 Ca -0.08 0.31 0.27 0.00 -0.05 0.00 0.00 57.45 57.90 2jyc n PHE 140 Cb 0.40 -1.00 0.55 0.00 -0.94 0.00 0.00 39.48 38.49 2jyc n PHE 140 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2jyc h GLU 141 N 0.00 0.29 -0.56 -1.08 4.81 -0.78 0.22 114.58 117.48 2jyc h GLU 141 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2jyc h GLU 141 Cb 0.44 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2jyc h GLU 141 CO 0.00 0.19 0.00 0.00 -0.73 0.00 0.00 179.01 178.47 2jyc n ALA 142 N -2.49 2.72 -2.64 2.92 0.00 -1.26 -4.91 120.51 114.87 2jyc n ALA 142 Ca 0.29 -0.96 -0.29 0.00 0.00 0.00 0.00 53.44 52.48 2jyc n ALA 142 Cb 1.04 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.60 1.03 -0.85 0.00 -4.23 0.78 -5.04 115.64 105.74 2jyc s THR 143 Ca 0.33 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.00 2jyc s THR 143 Cb 0.20 -2.35 0.54 0.00 1.34 0.00 0.00 72.50 72.22 2jyc s THR 143 CO 0.18 0.00 1.45 0.47 -0.54 0.00 0.00 174.62 176.19 2jyc n ASP 144 N -1.21 3.92 -4.71 3.99 9.92 -1.26 -4.99 116.55 122.21 2jyc n ASP 144 Ca -0.12 -2.43 -0.41 0.00 -0.53 0.00 0.00 54.79 51.30 2jyc n ASP 144 Cb 0.66 -0.45 -0.04 0.00 -0.64 0.00 0.00 41.12 40.65 2jyc n ASP 144 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2jyc s ILE 145 N -1.79 4.94 0.41 0.53 1.01 -1.25 -4.73 121.20 120.33 2jyc s ILE 145 Ca 0.40 1.74 -0.14 0.00 0.00 0.00 0.00 60.65 62.64 2jyc s ILE 145 Cb 0.26 -4.17 -0.08 0.00 0.01 0.00 0.00 42.46 38.48 2jyc s ILE 145 CO 0.18 0.17 0.83 -0.54 0.00 0.00 0.00 174.94 175.59 2jyc s LYS 146 N 1.12 3.93 -0.20 2.79 3.01 0.76 -4.92 119.74 126.22 2jyc s LYS 146 Ca 0.44 0.71 0.01 0.00 -1.01 0.00 0.00 55.97 56.12 2jyc s LYS 146 Cb -0.19 -2.31 0.03 0.00 -1.01 0.00 0.00 37.83 34.35 2jyc s LYS 146 CO 0.21 -0.04 -0.17 0.42 0.51 0.00 0.00 175.35 176.28 2jyc s ILE 147 N -2.31 2.15 -0.29 2.17 -1.09 -0.17 -2.63 121.20 119.02 2jyc s ILE 147 Ca 0.55 -1.11 -0.01 0.00 -2.23 0.00 0.00 60.65 57.85 2jyc s ILE 147 Cb -0.10 -2.01 0.05 0.00 -1.58 0.00 0.00 42.46 38.82 2jyc s ILE 147 CO 0.26 0.38 -0.03 -0.89 -1.23 0.00 0.00 174.94 173.43 2jyc s THR 148 N 1.25 2.84 -0.25 2.92 2.01 -0.12 -1.31 115.64 122.97 2jyc s THR 148 Ca 0.01 -1.38 -0.10 0.00 0.31 0.00 0.00 61.69 60.54 2jyc s THR 148 Cb -0.15 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 2jyc s THR 148 CO -0.10 -0.05 0.15 -0.69 -0.69 0.00 0.00 174.62 173.23 2jyc s VAL 149 N 1.24 5.06 0.01 3.82 1.01 0.67 0.09 120.40 132.30 2jyc s VAL 149 Ca -0.05 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.84 2jyc s VAL 149 Cb -0.19 -3.38 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 2jyc s VAL 149 CO -0.02 0.31 0.46 -0.31 0.00 0.00 0.00 175.10 175.54 2jyc s TYR 150 N 1.43 3.74 -0.25 5.22 1.51 0.48 0.06 117.35 129.53 2jyc s TYR 150 Ca 0.07 1.07 -0.19 0.00 -1.01 0.00 0.00 57.07 57.01 2jyc s TYR 150 Cb -0.15 -2.37 -0.02 0.00 -0.11 0.00 0.00 41.96 39.30 2jyc s TYR 150 CO 0.07 0.59 0.57 0.95 -1.11 0.00 0.00 175.55 176.62 2jyc s THR 151 N -0.94 5.03 0.00 -0.71 -4.23 -0.35 -0.21 115.64 114.23 2jyc s THR 151 Ca 0.25 1.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.77 2jyc s THR 151 Cb -0.17 -3.88 0.00 0.00 1.34 0.00 0.00 72.50 69.79 2jyc s THR 151 CO 0.15 0.06 0.00 -0.11 -0.54 0.00 0.00 174.62 174.18