#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 0.40 -0.81 -1.84 0.00 -1.26 -5.06 121.76 113.19 2jyc s ALA 2 Ca 0.00 -0.28 -0.26 0.00 0.00 0.00 0.00 51.96 51.42 2jyc s ALA 2 Cb 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 23.12 22.12 2jyc s ALA 2 CO 0.00 -1.16 1.38 -1.12 0.00 0.00 0.00 175.76 174.86 2jyc s SER 3 N 2.14 6.17 -0.08 0.00 0.01 -1.26 -4.83 113.70 115.85 2jyc s SER 3 Ca 0.02 -0.68 0.02 0.00 1.31 0.00 0.00 55.95 56.62 2jyc s SER 3 Cb -0.16 -2.56 0.17 0.00 0.21 0.00 0.00 66.02 63.68 2jyc s SER 3 CO -0.09 -1.81 0.99 -1.54 0.41 0.00 0.00 173.24 171.20 2jyc n SER 4 N 9.60 2.62 -4.57 2.44 3.41 -1.26 -4.80 113.62 121.07 2jyc n SER 4 Ca 0.13 -2.29 -0.27 0.00 -0.26 0.00 0.00 58.87 56.19 2jyc n SER 4 Cb 0.50 -0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 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 -0.69 3.12 -0.16 1.04 0.05 -1.26 -4.89 118.68 115.89 2jyc s LEU 5 Ca 0.13 -0.92 0.00 0.00 0.05 0.00 0.00 54.13 53.39 2jyc s LEU 5 Cb 0.10 -2.57 0.03 0.00 -2.05 0.00 0.00 46.19 41.70 2jyc s LEU 5 CO 0.03 -2.88 -0.12 0.21 -0.55 0.00 0.00 176.35 173.04 2jyc s ASN 6 N 7.71 2.90 -0.01 1.48 3.84 -1.26 -5.09 114.94 124.52 2jyc s ASN 6 Ca 0.70 -0.62 -0.18 0.00 0.21 0.00 0.00 52.86 52.97 2jyc s ASN 6 Cb -0.05 -1.16 0.03 0.00 -0.55 0.00 0.00 41.25 39.52 2jyc s ASN 6 CO 0.03 -0.10 0.39 -1.83 -2.79 0.00 0.00 177.10 172.81 2jyc s GLU 7 N 1.48 0.79 -0.42 0.43 -1.05 -1.26 -5.12 118.70 113.55 2jyc s GLU 7 Ca 0.03 -0.16 0.01 0.00 -0.15 0.00 0.00 54.97 54.69 2jyc s GLU 7 Cb -0.14 0.36 0.11 0.00 -0.44 0.00 0.00 34.13 34.02 2jyc s GLU 7 CO -0.10 -0.24 0.18 0.16 0.95 0.00 0.00 175.26 176.21 2jyc s ASP 8 N -1.47 4.96 0.29 0.83 -4.77 -1.26 -4.69 116.67 110.55 2jyc s ASP 8 Ca -0.11 -2.29 -0.01 0.00 -3.30 0.00 0.00 52.55 46.83 2jyc s ASP 8 Cb -0.03 -1.73 -0.04 0.00 -1.09 0.00 0.00 42.92 40.02 2jyc s ASP 8 CO 0.04 -0.42 0.51 -2.16 0.70 0.00 0.00 175.17 173.83 2jyc s PRO 9 N 0.74 3.54 0.09 2.11 0.04 -1.26 -5.02 135.00 135.24 2jyc s PRO 9 Ca 0.11 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 60.92 2jyc s PRO 9 Cb -0.21 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.62 2jyc s PRO 9 CO -0.05 0.24 0.00 0.39 0.04 0.00 0.00 177.00 177.62 2jyc n GLU 10 N -1.23 0.00 0.00 4.56 1.02 -1.26 -4.84 120.64 118.90 2jyc n GLU 10 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2jyc n GLU 10 Cb 0.55 -0.32 0.00 0.00 -0.02 0.00 0.00 31.44 31.65 2jyc n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jyc n GLY 11 N 3.30 1.39 0.00 0.62 0.00 -1.26 -4.42 105.19 104.81 2jyc n GLY 11 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2jyc n GLY 11 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jyc n SER 12 N 10.82 1.57 -0.17 1.61 2.88 -1.26 -5.02 113.62 124.04 2jyc n SER 12 Ca 0.00 -0.19 -0.04 0.00 -1.33 0.00 0.00 58.87 57.31 2jyc n SER 12 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 2jyc n SER 12 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2jyc h ARG 13 N 0.00 0.49 -4.67 -1.46 2.47 -1.84 -3.31 114.38 106.05 2jyc h ARG 13 Ca 0.00 -0.03 -0.59 0.00 -1.26 0.00 0.00 59.98 58.10 2jyc h ARG 13 Cb 0.00 -0.11 -0.35 0.00 -1.65 0.00 0.00 29.97 27.86 2jyc h ARG 13 CO 0.00 0.33 -0.83 0.42 0.56 0.00 0.00 179.97 180.44 2jyc s ILE 14 N -6.13 1.49 -0.08 2.04 1.01 -1.25 -1.97 121.20 116.31 2jyc s ILE 14 Ca -0.13 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 59.94 2jyc s ILE 14 Cb 0.14 -1.39 0.01 0.00 0.01 0.00 0.00 42.46 41.22 2jyc s ILE 14 CO 0.74 0.44 -0.19 -0.89 0.00 0.00 0.00 174.94 175.04 2jyc s THR 15 N 1.25 1.67 -0.18 2.92 2.01 0.08 -4.99 115.64 118.41 2jyc s THR 15 Ca -0.01 -0.79 -0.10 0.00 0.31 0.00 0.00 61.69 61.10 2jyc s THR 15 Cb -0.14 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 2jyc s THR 15 CO -0.06 0.47 0.16 -0.31 -0.69 0.00 0.00 174.62 174.19 2jyc s TYR 16 N 0.46 3.46 -0.03 4.92 2.02 -1.26 0.61 117.35 127.53 2jyc s TYR 16 Ca -0.17 0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.96 2jyc s TYR 16 Cb -0.17 -2.15 0.01 0.00 -0.40 0.00 0.00 41.96 39.26 2jyc s TYR 16 CO 0.07 0.37 -0.03 0.08 -1.57 0.00 0.00 175.55 174.47 2jyc s VAL 17 N 0.09 0.37 -0.05 0.71 1.01 0.61 -4.93 120.40 118.21 2jyc s VAL 17 Ca 0.11 -0.09 -0.20 0.00 0.00 0.00 0.00 61.98 61.80 2jyc s VAL 17 Cb -0.12 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 2jyc s VAL 17 CO 0.00 0.16 0.57 -1.59 0.00 0.00 0.00 175.10 174.24 2jyc s LYS 18 N 0.58 4.33 0.00 2.72 0.00 -1.26 0.01 119.74 126.12 2jyc s LYS 18 Ca -0.07 0.65 0.00 0.00 0.00 0.00 0.00 55.97 56.56 2jyc s LYS 18 Cb -0.10 -3.39 0.00 0.00 0.00 0.00 0.00 37.83 34.34 2jyc s LYS 18 CO -0.00 0.26 0.00 0.41 0.00 0.00 0.00 175.35 176.02 2jyc n GLY 19 N 2.80 0.08 3.74 0.59 0.00 -1.04 -4.89 105.19 106.46 2jyc n GLY 19 Ca -0.06 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 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 7.37 0.00 1.61 2.15 -1.26 -4.46 116.67 118.08 2jyc s ASP 20 Ca 0.00 1.64 0.29 0.00 0.43 0.00 0.00 52.55 54.91 2jyc s ASP 20 Cb 0.00 -2.54 1.20 0.00 -0.30 0.00 0.00 42.92 41.28 2jyc s ASP 20 CO 0.00 -0.03 1.90 -0.11 -0.17 0.00 0.00 175.17 176.75 2jyc n LEU 21 N 2.81 0.04 -0.57 -1.34 -0.00 -1.26 -2.27 117.00 114.41 2jyc n LEU 21 Ca 0.00 0.45 0.12 0.00 -0.00 0.00 0.00 56.01 56.58 2jyc n LEU 21 Cb 0.50 -0.47 0.20 0.00 -0.00 0.00 0.00 43.42 43.65 2jyc n LEU 21 CO 0.49 0.01 0.57 0.49 -0.00 0.00 0.00 177.39 178.96 2jyc n PHE 22 N -1.49 0.00 0.80 1.96 3.72 -1.26 -3.99 117.46 117.20 2jyc n PHE 22 Ca 0.07 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.52 2jyc n PHE 22 Cb 0.33 -0.03 0.14 0.00 -0.94 0.00 0.00 39.48 38.99 2jyc n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jyc n ALA 23 N 0.26 2.63 -1.77 4.37 0.00 -0.96 -4.94 120.51 120.10 2jyc n ALA 23 Ca 0.13 -0.61 -0.37 0.00 0.00 0.00 0.00 53.44 52.59 2jyc n ALA 23 Cb 0.46 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 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 -2.73 2.41 0.62 0.00 0.02 -1.26 -4.92 135.00 129.13 2jyc s PRO 25 Ca 0.64 1.57 0.32 0.00 0.02 0.00 0.00 61.00 63.56 2jyc s PRO 25 Cb -0.28 -1.89 1.85 0.00 0.02 0.00 0.00 34.50 34.20 2jyc s PRO 25 CO 0.34 -1.59 2.17 1.57 -0.33 0.00 0.00 177.00 179.16 2jyc h LYS 26 N -0.21 0.00 0.00 5.54 -0.00 -2.00 -1.04 116.57 118.86 2jyc h LYS 26 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 2jyc h LYS 26 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.50 2jyc h LYS 26 CO 0.51 0.00 0.00 1.79 -0.00 0.00 0.00 179.45 181.75 2jyc h THR 27 N 0.00 0.00 -3.09 0.07 1.35 -1.91 -3.41 112.91 105.92 2jyc h THR 27 Ca 0.04 -0.67 -0.61 0.00 -0.55 0.00 0.00 66.41 64.62 2jyc h THR 27 Cb 0.32 1.67 -0.07 0.00 -1.73 0.00 0.00 68.15 68.34 2jyc h THR 27 CO -0.00 0.00 -0.24 -1.81 -0.25 0.00 0.00 175.52 173.22 2jyc s ASP 28 N -5.17 6.68 0.48 5.36 1.11 -0.40 -4.41 116.67 120.33 2jyc s ASP 28 Ca 0.09 0.81 0.08 0.00 0.18 0.00 0.00 52.55 53.71 2jyc s ASP 28 Cb 0.10 -2.23 0.03 0.00 1.07 0.00 0.00 42.92 41.88 2jyc s ASP 28 CO 0.62 0.23 0.55 -0.44 1.18 0.00 0.00 175.17 177.32 2jyc s SER 29 N -0.49 5.19 -0.01 0.27 0.01 -0.92 -4.82 113.70 112.94 2jyc s SER 29 Ca 0.22 -0.74 0.08 0.00 1.31 0.00 0.00 55.95 56.81 2jyc s SER 29 Cb -0.15 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.83 2jyc s SER 29 CO 0.10 -0.93 -0.25 -0.76 0.41 0.00 0.00 173.24 171.81 2jyc s LEU 30 N -4.36 2.07 -0.02 2.44 1.43 -1.10 -0.07 118.68 119.08 2jyc s LEU 30 Ca 0.52 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2jyc s LEU 30 Cb -0.06 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 44.90 2jyc s LEU 30 CO 0.31 0.29 -0.04 0.00 0.23 0.00 0.00 176.35 177.15 2jyc s ALA 31 N -0.62 0.45 0.15 4.21 0.00 -1.09 0.16 121.76 125.03 2jyc s ALA 31 Ca 0.10 -0.11 -0.15 0.00 0.00 0.00 0.00 51.96 51.80 2jyc s ALA 31 Cb -0.10 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.84 2jyc s ALA 31 CO -0.00 0.05 0.42 -1.58 0.00 0.00 0.00 175.76 174.64 2jyc s HIS 32 N 0.31 -0.08 -0.08 0.00 5.04 0.49 -4.52 115.29 116.46 2jyc s HIS 32 Ca -0.03 -0.26 -0.06 0.00 -1.54 0.00 0.00 55.06 53.17 2jyc s HIS 32 Cb -0.07 0.25 -0.04 0.00 0.04 0.00 0.00 32.58 32.76 2jyc s HIS 32 CO -0.00 -0.77 0.17 0.00 -2.34 0.00 0.00 174.74 171.79 2jyc s ILE 34 N -1.13 0.00 0.24 0.00 -4.36 0.88 -4.84 121.20 111.99 2jyc s ILE 34 Ca 0.20 -1.75 -0.06 0.00 -0.26 0.00 0.00 60.65 58.77 2jyc s ILE 34 Cb -0.12 -2.43 -0.06 0.00 1.25 0.00 0.00 42.46 41.10 2jyc s ILE 34 CO 0.09 0.00 0.51 -0.94 0.24 0.00 0.00 174.94 174.84 2jyc s SER 35 N -3.15 6.49 0.43 4.36 1.04 -1.26 -3.00 113.70 118.61 2jyc s SER 35 Ca 0.33 0.72 0.10 0.00 0.48 0.00 0.00 55.95 57.58 2jyc s SER 35 Cb 0.03 -2.14 0.94 0.00 0.10 0.00 0.00 66.02 64.94 2jyc s SER 35 CO 0.14 -0.11 2.03 1.05 0.98 0.00 0.00 173.24 177.33 2jyc h GLU 36 N 2.14 0.29 0.00 4.02 4.11 -1.21 -0.59 114.58 123.33 2jyc h GLU 36 Ca -0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2jyc h GLU 36 Cb 1.18 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2jyc h GLU 36 CO 0.68 0.27 0.00 0.22 0.07 0.00 0.00 179.01 180.26 2jyc h ASP 37 N 0.29 0.00 -5.23 3.06 3.58 -1.65 -3.44 116.42 113.03 2jyc h ASP 37 Ca 0.07 0.00 -0.40 0.00 0.42 0.00 0.00 57.03 57.12 2jyc h ASP 37 Cb 0.12 0.00 0.11 0.00 1.72 0.00 0.00 39.33 41.27 2jyc h ASP 37 CO -0.00 0.00 -0.65 0.00 -2.88 0.00 0.00 179.24 175.71 2jyc h ARG 39 N -2.14 0.76 0.00 0.00 3.08 -1.91 -3.46 114.38 110.71 2jyc h ARG 39 Ca -0.55 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.14 2jyc h ARG 39 Cb 1.37 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.41 2jyc h ARG 39 CO 0.56 0.97 0.00 -1.33 -1.07 0.00 0.00 179.97 179.11 2jyc n MET 40 N -4.27 0.00 0.00 0.04 2.81 -1.26 -4.82 117.12 109.62 2jyc n MET 40 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 2jyc n MET 40 Cb 0.43 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.94 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 1.56 3.40 3.03 0.00 -1.26 -4.87 105.19 107.05 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 -0.42 0.01 0.00 4.61 0.00 -1.26 -4.90 121.76 119.80 2jyc s ALA 42 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2jyc s ALA 42 Cb 0.00 0.97 0.00 0.00 0.00 0.00 0.00 23.12 24.09 2jyc s ALA 42 CO 0.00 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.47 2jyc n GLY 43 N -0.27 -0.74 0.07 0.00 0.00 -1.26 -3.51 105.19 99.47 2jyc n GLY 43 Ca -0.05 -1.16 0.13 0.00 0.00 0.00 0.00 46.02 44.95 2jyc n GLY 43 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2jyc n ILE 44 N 0.00 0.40 -0.23 -0.61 3.06 -1.26 -3.26 119.36 117.45 2jyc n ILE 44 Ca 0.00 -0.16 -0.07 0.00 -2.50 0.00 0.00 62.75 60.02 2jyc n ILE 44 Cb 0.00 -0.58 0.04 0.00 0.54 0.00 0.00 39.64 39.64 2jyc n ILE 44 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2jyc h ALA 45 N 2.68 0.84 -0.18 1.51 0.00 -1.94 -0.68 119.26 121.50 2jyc h ALA 45 Ca 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2jyc h ALA 45 Cb 0.64 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2jyc h ALA 45 CO 0.00 0.44 -0.15 -0.24 0.00 0.00 0.00 179.25 179.30 2jyc h VAL 46 N 0.91 1.20 -0.53 0.00 3.04 -1.59 0.43 116.25 119.71 2jyc h VAL 46 Ca 0.22 -0.89 -0.02 0.00 -1.01 0.00 0.00 66.70 64.99 2jyc h VAL 46 Cb 0.18 1.23 -0.02 0.00 -2.01 0.00 0.00 31.29 30.67 2jyc h VAL 46 CO -0.02 0.28 0.25 -0.07 -1.01 0.00 0.00 177.57 177.00 2jyc h LEU 47 N 0.27 0.70 -0.55 3.16 3.38 -1.45 0.62 115.31 121.45 2jyc h LEU 47 Ca 0.05 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2jyc h LEU 47 Cb 0.43 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2jyc h LEU 47 CO 0.03 0.64 0.15 -0.26 0.09 0.00 0.00 178.44 179.08 2jyc h PHE 48 N 0.71 0.90 -0.29 1.13 0.04 -0.22 -1.61 116.94 117.59 2jyc h PHE 48 Ca 0.18 -0.10 0.06 0.00 2.80 0.00 0.00 57.97 60.91 2jyc h PHE 48 Cb 0.13 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 37.97 2jyc h PHE 48 CO -0.00 0.78 -0.08 -0.22 -0.60 0.00 0.00 178.31 178.18 2jyc h LYS 49 N 0.77 -0.01 -0.04 1.51 3.11 -0.64 0.23 116.57 121.50 2jyc h LYS 49 Ca 0.17 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.88 2jyc h LYS 49 Cb 0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.53 2jyc h LYS 49 CO -0.00 -0.00 -0.57 0.87 -2.81 0.00 0.00 179.45 176.93 2jyc h LYS 50 N -0.01 0.12 0.18 1.90 1.57 -0.77 -1.18 116.57 118.39 2jyc h LYS 50 Ca 0.14 -0.08 -0.34 0.00 -1.87 0.00 0.00 60.65 58.51 2jyc h LYS 50 Cb 0.22 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.55 2jyc h LYS 50 CO -0.31 0.66 -1.63 0.87 -0.57 0.00 0.00 179.45 178.47 2jyc h LYS 51 N 0.09 0.39 0.00 3.15 1.57 -0.67 -3.39 116.57 117.71 2jyc h LYS 51 Ca -0.00 -0.66 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 2jyc h LYS 51 Cb 1.04 0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2jyc h LYS 51 CO 0.08 1.29 -1.30 1.19 -0.57 0.00 0.00 179.45 180.14 2jyc n PHE 52 N -3.58 0.00 0.00 -1.35 3.01 0.77 -5.00 117.46 111.30 2jyc n PHE 52 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.25 2jyc n PHE 52 Cb 1.07 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 40.33 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 1.60 1.96 5.00 1.37 0.00 -0.44 -4.92 105.19 109.76 2jyc n GLY 53 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 1.06 0.29 -0.02 0.00 -1.26 -4.56 105.19 100.69 2jyc n GLY 54 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.35 -0.39 1.61 2.07 -1.91 0.35 116.25 118.32 2jyc h VAL 55 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 2jyc h VAL 55 Cb 0.00 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2jyc h VAL 55 CO 0.00 0.00 -0.04 1.56 0.02 0.00 0.00 177.57 179.11 2jyc h GLN 56 N -0.23 0.73 -0.39 1.57 4.20 -1.98 0.29 115.11 119.29 2jyc h GLN 56 Ca 0.16 -0.25 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 2jyc h GLN 56 Cb 0.48 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 2jyc h GLN 56 CO -0.45 0.84 0.04 0.93 -0.67 0.00 0.00 178.83 179.52 2jyc h GLU 57 N 0.54 0.60 -0.10 1.46 5.08 -1.65 0.33 114.58 120.84 2jyc h GLU 57 Ca 0.11 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 2jyc h GLU 57 Cb 0.54 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2jyc h GLU 57 CO 0.03 0.59 -0.40 -0.07 -1.00 0.00 0.00 179.01 178.16 2jyc h LEU 58 N 0.58 0.54 -0.73 1.33 3.38 -0.08 -2.46 115.31 117.87 2jyc h LEU 58 Ca 0.13 -0.62 -0.13 0.00 0.09 0.00 0.00 57.88 57.35 2jyc h LEU 58 Cb 0.30 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2jyc h LEU 58 CO 0.01 1.07 -0.38 -0.07 0.09 0.00 0.00 178.44 179.15 2jyc h LEU 59 N 0.04 0.55 -1.25 1.67 3.38 -0.02 -1.40 115.31 118.27 2jyc h LEU 59 Ca -0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 2jyc h LEU 59 Cb 1.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2jyc h LEU 59 CO 0.08 0.88 0.20 0.78 0.09 0.00 0.00 178.44 180.47 2jyc h ASN 60 N 0.43 0.65 0.77 -0.43 2.35 -0.38 -1.26 115.58 117.72 2jyc h ASN 60 Ca 0.04 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.62 2jyc h ASN 60 Cb 0.86 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 2jyc h ASN 60 CO 0.07 0.59 -0.46 1.56 -1.65 0.00 0.00 177.43 177.54 2jyc h GLN 61 N 0.71 0.00 -5.39 0.81 4.20 -1.12 -3.49 115.11 110.83 2jyc h GLN 61 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2jyc h GLN 61 Cb 0.14 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2jyc h GLN 61 CO -0.02 0.46 -0.25 0.00 -0.67 0.00 0.00 178.83 178.35 2jyc n GLN 62 N -3.62 -1.60 -2.87 1.46 10.64 -0.48 -5.02 117.38 115.89 2jyc n GLN 62 Ca -0.01 1.34 -0.19 0.00 -1.83 0.00 0.00 57.00 56.32 2jyc n GLN 62 Cb 0.55 -1.48 0.03 0.00 -0.86 0.00 0.00 30.24 28.48 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 -0.11 2.58 0.22 2.61 3.01 -1.26 -5.08 119.74 121.71 2jyc s LYS 63 Ca -0.04 -1.15 0.02 0.00 -1.01 0.00 0.00 55.97 53.79 2jyc s LYS 63 Cb 0.00 -2.63 -0.05 0.00 -1.01 0.00 0.00 37.83 34.14 2jyc s LYS 63 CO 0.10 -0.57 0.03 0.15 0.51 0.00 0.00 175.35 175.56 2jyc s LYS 64 N -4.58 1.28 -0.31 1.68 -0.14 -1.26 -4.90 119.74 111.51 2jyc s LYS 64 Ca 0.58 -1.65 -0.28 0.00 -1.36 0.00 0.00 55.97 53.25 2jyc s LYS 64 Cb -0.09 -0.38 -0.04 0.00 -1.68 0.00 0.00 37.83 35.63 2jyc s LYS 64 CO 0.36 -0.17 2.13 -1.12 -0.76 0.00 0.00 175.35 175.79 2jyc s SER 65 N -3.26 5.37 0.00 2.83 0.01 -1.26 -1.17 113.70 116.22 2jyc s SER 65 Ca 0.30 1.52 0.00 0.00 1.31 0.00 0.00 55.95 59.08 2jyc s SER 65 Cb 0.07 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2jyc s SER 65 CO 0.09 -2.08 0.00 0.61 0.41 0.00 0.00 173.24 172.26 2jyc n GLY 66 N 5.72 1.21 3.58 3.44 0.00 0.28 -4.97 105.19 114.45 2jyc n GLY 66 Ca 0.29 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.28 1.99 -0.04 1.61 0.41 -0.32 -4.13 118.70 117.94 2jyc s GLU 67 Ca 0.00 -1.71 0.07 0.00 -0.41 0.00 0.00 54.97 52.92 2jyc s GLU 67 Cb 0.00 -1.91 -0.01 0.00 -1.78 0.00 0.00 34.13 30.43 2jyc s GLU 67 CO 0.00 0.24 -0.24 0.54 -0.49 0.00 0.00 175.26 175.31 2jyc s VAL 68 N -2.49 1.92 0.00 2.63 0.11 -1.26 -1.16 120.40 120.15 2jyc s VAL 68 Ca 0.32 -1.01 -0.00 0.00 -2.93 0.00 0.00 61.98 58.36 2jyc s VAL 68 Cb -0.02 -1.61 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 2jyc s VAL 68 CO 0.18 0.54 0.09 0.00 -3.33 0.00 0.00 175.10 172.58 2jyc s ALA 69 N -0.32 3.62 -0.02 1.54 0.00 -0.02 -4.93 121.76 121.63 2jyc s ALA 69 Ca 0.02 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.16 2jyc s ALA 69 Cb -0.12 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.40 2jyc s ALA 69 CO 0.01 0.70 -0.16 0.08 0.00 0.00 0.00 175.76 176.40 2jyc s VAL 70 N -1.22 1.25 -0.03 0.00 1.01 -1.26 -0.68 120.40 119.48 2jyc s VAL 70 Ca 0.24 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.60 2jyc s VAL 70 Cb -0.12 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 2jyc s VAL 70 CO 0.15 0.36 -0.17 -0.76 0.00 0.00 0.00 175.10 174.68 2jyc s LEU 71 N -0.24 1.96 -0.12 3.92 1.43 -0.73 -4.95 118.68 119.95 2jyc s LEU 71 Ca 0.03 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.79 2jyc s LEU 71 Cb -0.07 -0.91 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 2jyc s LEU 71 CO 0.00 0.17 -0.06 -0.75 0.23 0.00 0.00 176.35 175.94 2jyc s LYS 72 N -0.16 3.35 -0.19 1.70 2.20 -1.26 0.53 119.74 125.91 2jyc s LYS 72 Ca 0.01 -0.56 -0.02 0.00 -0.36 0.00 0.00 55.97 55.05 2jyc s LYS 72 Cb -0.09 -2.77 0.06 0.00 -1.51 0.00 0.00 37.83 33.52 2jyc s LYS 72 CO 0.01 0.36 0.00 0.50 -0.36 0.00 0.00 175.35 175.86 2jyc s ARG 73 N 0.01 0.97 0.21 4.03 6.06 0.28 -4.97 118.95 125.53 2jyc s ARG 73 Ca -0.01 -0.53 0.00 0.00 -2.50 0.00 0.00 55.73 52.69 2jyc s ARG 73 Cb -0.14 -2.14 0.00 0.00 0.06 0.00 0.00 34.95 32.74 2jyc s ARG 73 CO 0.03 -0.58 0.00 -0.25 -2.50 0.00 0.00 175.30 172.00 2jyc n ASP 74 N 4.95 0.00 0.00 -2.12 9.92 -1.26 -0.10 116.55 127.94 2jyc n ASP 74 Ca -0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.16 2jyc n ASP 74 Cb 0.47 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.95 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 0.00 -2.07 3.68 0.44 0.00 -1.26 -5.08 105.19 100.90 2jyc n GLY 75 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2jyc n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jyc s ARG 76 N -0.15 2.49 -0.15 1.61 0.52 0.86 -4.91 118.95 119.22 2jyc s ARG 76 Ca 0.00 -0.94 0.01 0.00 -0.52 0.00 0.00 55.73 54.28 2jyc s ARG 76 Cb 0.00 -2.47 0.01 0.00 0.52 0.00 0.00 34.95 33.00 2jyc s ARG 76 CO 0.00 0.51 -0.18 0.71 0.02 0.00 0.00 175.30 176.35 2jyc s TYR 77 N -1.46 2.74 -0.22 -0.53 1.51 -1.26 -0.56 117.35 117.56 2jyc s TYR 77 Ca 0.26 -1.23 -0.15 0.00 -1.01 0.00 0.00 57.07 54.94 2jyc s TYR 77 Cb -0.11 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 2jyc s TYR 77 CO 0.18 -0.57 0.35 0.42 -1.11 0.00 0.00 175.55 174.82 2jyc s ILE 78 N 0.88 5.22 -0.27 2.71 -1.09 0.19 -2.70 121.20 126.14 2jyc s ILE 78 Ca -0.05 0.58 -0.09 0.00 -2.23 0.00 0.00 60.65 58.86 2jyc s ILE 78 Cb -0.15 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 2jyc s ILE 78 CO -0.02 0.25 0.13 -0.31 -1.23 0.00 0.00 174.94 173.75 2jyc s TYR 79 N 1.45 3.15 -0.47 3.97 2.02 0.12 -1.77 117.35 125.82 2jyc s TYR 79 Ca 0.16 -0.19 -0.09 0.00 -0.37 0.00 0.00 57.07 56.57 2jyc s TYR 79 Cb -0.15 -2.31 0.12 0.00 -0.40 0.00 0.00 41.96 39.22 2jyc s TYR 79 CO 0.08 -0.28 0.34 0.71 -1.57 0.00 0.00 175.55 174.83 2jyc s TYR 80 N 1.68 3.42 -0.21 2.71 2.02 0.15 -0.38 117.35 126.73 2jyc s TYR 80 Ca 0.07 -1.84 -0.29 0.00 -0.37 0.00 0.00 57.07 54.64 2jyc s TYR 80 Cb -0.16 -3.46 0.00 0.00 -0.40 0.00 0.00 41.96 37.95 2jyc s TYR 80 CO 0.07 -0.98 1.14 -0.51 -1.57 0.00 0.00 175.55 173.69 2jyc s LEU 81 N 1.37 4.11 -0.45 -1.29 1.43 0.11 -0.84 118.68 123.12 2jyc s LEU 81 Ca 0.05 1.47 -0.18 0.00 -1.03 0.00 0.00 54.13 54.44 2jyc s LEU 81 Cb -0.26 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.46 2jyc s LEU 81 CO -0.00 -0.73 0.53 -0.63 0.23 0.00 0.00 176.35 175.74 2jyc s ILE 82 N 3.39 4.98 -0.09 -0.59 -1.09 -0.31 -0.09 121.20 127.41 2jyc s ILE 82 Ca 0.49 -0.35 -0.08 0.00 -2.23 0.00 0.00 60.65 58.48 2jyc s ILE 82 Cb -0.17 -4.15 -0.06 0.00 -1.58 0.00 0.00 42.46 36.50 2jyc s ILE 82 CO 0.10 -0.58 0.27 0.71 -1.23 0.00 0.00 174.94 174.22 2jyc h THR 83 N 5.80 0.26 -3.97 2.92 1.35 -1.83 0.81 112.91 118.25 2jyc h THR 83 Ca -0.27 -1.08 -0.30 0.00 -0.55 0.00 0.00 66.41 64.22 2jyc h THR 83 Cb 1.10 0.48 -0.07 0.00 -1.73 0.00 0.00 68.15 67.93 2jyc h THR 83 CO 0.87 0.08 -0.21 0.29 -0.25 0.00 0.00 175.52 176.30 2jyc n LYS 84 N -4.84 0.53 0.29 4.72 4.01 -1.26 -4.03 118.16 117.58 2jyc n LYS 84 Ca -0.03 -2.56 -0.11 0.00 -0.51 0.00 0.00 58.31 55.10 2jyc n LYS 84 Cb 0.11 2.33 -0.05 0.00 -0.51 0.00 0.00 35.03 36.91 2jyc n LYS 84 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 2jyc h LYS 85 N 0.00 -0.72 -6.23 1.97 1.57 -1.94 -1.50 116.57 109.71 2jyc h LYS 85 Ca -0.22 0.05 -0.53 0.00 -1.87 0.00 0.00 60.65 58.07 2jyc h LYS 85 Cb 1.03 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 2jyc h LYS 85 CO 0.31 -0.48 -0.33 1.03 -0.57 0.00 0.00 179.45 179.41 2jyc s ARG 86 N -4.53 3.52 0.26 3.15 1.81 -1.26 -2.00 118.95 119.90 2jyc s ARG 86 Ca -0.11 -0.34 0.25 0.00 -1.72 0.00 0.00 55.73 53.81 2jyc s ARG 86 Cb 0.01 -2.83 0.95 0.00 -0.45 0.00 0.00 34.95 32.62 2jyc s ARG 86 CO 0.33 0.39 1.74 0.00 -0.68 0.00 0.00 175.30 177.08 2jyc h ALA 87 N 1.95 1.00 -0.10 2.13 0.00 -1.94 -1.48 119.26 120.83 2jyc h ALA 87 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2jyc h ALA 87 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2jyc h ALA 87 CO 0.68 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.36 2jyc n SER 88 N -2.30 1.35 -4.85 0.00 7.64 -1.26 -4.83 113.62 109.36 2jyc n SER 88 Ca 0.03 -1.58 -0.34 0.00 1.01 0.00 0.00 58.87 57.98 2jyc n SER 88 Cb 0.29 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.38 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 -1.88 3.55 -0.16 1.43 3.76 -0.56 -5.06 115.29 116.37 2jyc s HIS 89 Ca 0.34 1.01 -0.18 0.00 -0.15 0.00 0.00 55.06 56.09 2jyc s HIS 89 Cb 0.18 -2.34 -0.04 0.00 1.11 0.00 0.00 32.58 31.49 2jyc s HIS 89 CO 0.28 0.38 0.48 -1.59 -0.85 0.00 0.00 174.74 173.44 2jyc s LYS 90 N -2.20 4.25 0.66 1.40 -2.85 -1.26 -4.93 119.74 114.82 2jyc s LYS 90 Ca 0.40 0.39 -0.14 0.00 -1.00 0.00 0.00 55.97 55.62 2jyc s LYS 90 Cb -0.14 -3.50 -0.00 0.00 -2.06 0.00 0.00 37.83 32.13 2jyc s LYS 90 CO 0.20 0.01 1.08 -1.25 0.10 0.00 0.00 175.35 175.49 2jyc s PRO 91 N 1.11 2.92 0.22 1.78 0.04 -1.26 -4.95 135.00 134.86 2jyc s PRO 91 Ca 0.24 1.24 0.10 0.00 0.04 0.00 0.00 61.00 62.61 2jyc s PRO 91 Cb -0.15 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2jyc s PRO 91 CO 0.09 -1.13 -0.09 0.95 0.04 0.00 0.00 177.00 176.86 2jyc s THR 92 N -2.55 3.12 0.20 1.26 -4.23 -1.26 -4.79 115.64 107.39 2jyc s THR 92 Ca 0.64 -1.84 -0.08 0.00 -1.18 0.00 0.00 61.69 59.23 2jyc s THR 92 Cb -0.18 -2.59 0.08 0.00 1.34 0.00 0.00 72.50 71.15 2jyc s THR 92 CO 0.44 -0.21 1.67 1.88 -0.54 0.00 0.00 174.62 177.85 2jyc h TYR 93 N 2.58 1.12 -0.31 3.99 0.05 -1.97 -0.21 116.97 122.22 2jyc h TYR 93 Ca -0.45 -0.18 -0.00 0.00 0.05 0.00 0.00 58.73 58.14 2jyc h TYR 93 Cb 1.22 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.65 2jyc h TYR 93 CO 0.68 0.99 0.18 1.49 -1.05 0.00 0.00 178.16 180.45 2jyc h GLU 94 N 0.95 0.43 -0.24 4.88 4.81 -1.99 0.43 114.58 123.84 2jyc h GLU 94 Ca 0.17 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 2jyc h GLU 94 Cb 0.53 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2jyc h GLU 94 CO 0.03 0.34 -0.31 -0.91 -0.73 0.00 0.00 179.01 177.43 2jyc h ASN 95 N 0.39 0.51 -0.75 1.04 4.21 -1.90 -2.09 115.58 117.00 2jyc h ASN 95 Ca 0.11 -0.19 0.01 0.00 1.21 0.00 0.00 56.30 57.44 2jyc h ASN 95 Cb 0.03 -0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 37.05 2jyc h ASN 95 CO -0.02 0.80 0.49 0.25 -1.29 0.00 0.00 177.43 177.66 2jyc h LEU 96 N 0.43 0.85 -0.49 1.61 5.85 -0.55 -1.87 115.31 121.14 2jyc h LEU 96 Ca 0.05 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2jyc h LEU 96 Cb 0.76 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 2jyc h LEU 96 CO 0.06 0.61 0.18 1.56 -0.34 0.00 0.00 178.44 180.52 2jyc h GLN 97 N 1.01 0.35 -0.79 1.25 4.20 -0.47 -0.11 115.11 120.55 2jyc h GLN 97 Ca 0.28 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 59.08 2jyc h GLN 97 Cb -0.11 -0.08 -0.08 0.00 0.30 0.00 0.00 27.48 27.51 2jyc h GLN 97 CO -0.06 0.23 0.41 0.87 -0.67 0.00 0.00 178.83 179.61 2jyc h LYS 98 N 0.36 0.64 -0.18 1.46 1.57 -1.00 0.10 116.57 119.52 2jyc h LYS 98 Ca 0.23 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 2jyc h LYS 98 Cb 0.23 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 2jyc h LYS 98 CO -0.23 0.42 -0.07 0.77 -0.57 0.00 0.00 179.45 179.78 2jyc h SER 99 N 0.66 0.36 -0.67 0.86 0.02 -0.42 -0.94 113.55 113.42 2jyc h SER 99 Ca 0.40 -0.39 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2jyc h SER 99 Cb 0.46 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 2jyc h SER 99 CO -0.30 0.67 0.43 -0.07 -1.14 0.00 0.00 176.83 176.43 2jyc h LEU 100 N 0.05 0.73 0.10 5.07 -0.00 -0.56 0.10 115.31 120.81 2jyc h LEU 100 Ca 0.04 -0.01 0.01 0.00 -0.00 0.00 0.00 57.88 57.92 2jyc h LEU 100 Cb 0.53 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.00 2jyc h LEU 100 CO 0.02 0.52 -0.12 -0.33 -0.00 0.00 0.00 178.44 178.53 2jyc h GLU 101 N 0.87 -0.25 -0.48 1.13 4.39 -0.68 0.45 114.58 120.00 2jyc h GLU 101 Ca 0.25 0.02 0.03 0.00 0.34 0.00 0.00 59.36 60.00 2jyc h GLU 101 Cb -0.05 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 2jyc h GLU 101 CO -0.07 -0.17 0.28 0.00 -1.16 0.00 0.00 179.01 177.89 2jyc h ALA 102 N 0.62 0.62 0.07 3.43 0.00 -0.97 -1.84 119.26 121.19 2jyc h ALA 102 Ca 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jyc h ALA 102 Cb 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jyc h ALA 102 CO -0.04 -0.03 -0.03 1.98 0.00 0.00 0.00 179.25 181.12 2jyc h MET 103 N 0.56 -0.09 -0.36 0.00 1.85 -0.48 -2.47 114.93 113.94 2jyc h MET 103 Ca 0.20 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.28 2jyc h MET 103 Cb 0.04 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.07 2jyc h MET 103 CO -0.10 0.11 0.14 1.57 -0.40 0.00 0.00 176.91 178.23 2jyc h LYS 104 N -0.29 0.50 -0.30 0.39 5.09 0.04 -1.16 116.57 120.85 2jyc h LYS 104 Ca -0.01 -0.06 -0.18 0.00 0.09 0.00 0.00 60.65 60.49 2jyc h LYS 104 Cb 0.25 -0.10 -0.00 0.00 0.10 0.00 0.00 32.23 32.48 2jyc h LYS 104 CO 0.02 0.42 -0.52 0.77 -2.09 0.00 0.00 179.45 178.05 2jyc h SER 105 N 0.50 0.94 -0.38 7.07 0.02 -1.29 -3.01 113.55 117.40 2jyc h SER 105 Ca 0.13 -0.49 -0.11 0.00 -0.84 0.00 0.00 61.79 60.48 2jyc h SER 105 Cb 0.11 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2jyc h SER 105 CO -0.01 1.28 -0.18 -0.74 -1.14 0.00 0.00 176.83 176.04 2jyc h HIS 106 N 0.66 0.91 -0.27 3.45 -0.00 -0.83 -2.76 115.15 116.32 2jyc h HIS 106 Ca 0.02 -0.23 0.00 0.00 -0.00 0.00 0.00 60.37 60.17 2jyc h HIS 106 Cb 1.12 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 28.30 2jyc h HIS 106 CO 0.07 0.97 0.18 0.00 -0.00 0.00 0.00 177.93 179.15 2jyc h LEU 108 N 0.36 1.06 -2.09 0.00 3.38 -1.36 0.28 115.31 116.95 2jyc h LEU 108 Ca 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 2jyc h LEU 108 Cb -0.04 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 2jyc h LEU 108 CO -0.02 1.07 -0.07 0.11 0.09 0.00 0.00 178.44 179.62 2jyc h LYS 109 N 1.01 0.00 -0.01 1.13 1.57 -1.02 -2.25 116.57 117.00 2jyc h LYS 109 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2jyc h LYS 109 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2jyc h LYS 109 CO 0.02 0.07 -0.03 0.09 -0.57 0.00 0.00 179.45 179.02 2jyc n ASN 110 N -4.01 1.81 -2.48 0.86 3.02 -1.11 -4.99 115.26 108.37 2jyc n ASN 110 Ca -0.03 -1.41 -0.14 0.00 -0.03 0.00 0.00 54.58 52.97 2jyc n ASN 110 Cb 0.15 0.07 0.05 0.00 -0.61 0.00 0.00 39.78 39.44 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 0.66 -0.01 3.70 7.41 0.00 -0.39 -5.01 105.19 111.54 2jyc n GLY 111 Ca 0.06 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.21 5.35 0.00 1.61 1.01 0.86 -4.93 120.40 121.09 2jyc s VAL 112 Ca 0.30 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.59 2jyc s VAL 112 Cb -0.13 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2jyc s VAL 112 CO 0.46 0.37 0.41 1.07 0.00 0.00 0.00 175.10 177.41 2jyc n THR 113 N 3.91 0.09 -4.27 3.92 5.66 -1.26 -4.48 114.28 117.86 2jyc n THR 113 Ca -0.14 -0.12 -0.32 0.00 -3.05 0.00 0.00 64.05 60.42 2jyc n THR 113 Cb 0.52 1.24 -0.16 0.00 -1.55 0.00 0.00 70.33 70.37 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 -0.09 3.02 0.01 1.09 1.01 -1.26 -1.06 116.67 119.39 2jyc s ASP 114 Ca 0.00 -0.60 -0.00 0.00 0.71 0.00 0.00 52.55 52.66 2jyc s ASP 114 Cb 0.00 -1.40 -0.01 0.00 1.01 0.00 0.00 42.92 42.52 2jyc s ASP 114 CO 0.00 0.01 -0.01 -0.22 0.21 0.00 0.00 175.17 175.16 2jyc s LEU 115 N 1.18 2.11 0.01 1.23 2.96 0.45 -2.17 118.68 124.44 2jyc s LEU 115 Ca 0.01 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 2jyc s LEU 115 Cb -0.14 0.06 -0.01 0.00 0.50 0.00 0.00 46.19 46.60 2jyc s LEU 115 CO -0.09 -0.15 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.24 2jyc s SER 116 N -0.73 1.24 -0.01 3.68 0.01 0.90 -0.21 113.70 118.58 2jyc s SER 116 Ca -0.08 -0.27 -0.09 0.00 1.31 0.00 0.00 55.95 56.83 2jyc s SER 116 Cb -0.05 -0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.08 2jyc s SER 116 CO -0.00 0.08 0.18 0.00 0.41 0.00 0.00 173.24 173.91 2jyc s MET 117 N -0.53 0.49 0.70 12.44 0.23 0.16 -2.66 119.30 130.13 2jyc s MET 117 Ca 0.02 -0.26 -0.11 0.00 -1.03 0.00 0.00 55.69 54.31 2jyc s MET 117 Cb -0.05 0.21 0.01 0.00 -1.53 0.00 0.00 34.83 33.47 2jyc s MET 117 CO 0.00 -0.12 1.08 -1.25 -2.03 0.00 0.00 175.02 172.70 2jyc s PRO 118 N -1.16 2.89 -0.70 3.16 0.04 -1.26 -0.36 135.00 137.60 2jyc s PRO 118 Ca -0.12 0.60 -0.25 0.00 0.04 0.00 0.00 61.00 61.26 2jyc s PRO 118 Cb -0.06 -2.01 -0.14 0.00 0.04 0.00 0.00 34.50 32.33 2jyc s PRO 118 CO 0.02 -1.05 2.43 -2.13 0.04 0.00 0.00 177.00 176.32 2jyc n ARG 119 N -3.04 0.65 0.07 4.56 0.63 -0.54 -4.69 116.66 114.29 2jyc n ARG 119 Ca 0.07 -0.26 0.13 0.00 -0.92 0.00 0.00 57.85 56.86 2jyc n ARG 119 Cb 0.56 -3.02 0.35 0.00 0.45 0.00 0.00 32.46 30.80 2jyc n ARG 119 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 2jyc n ILE 120 N 7.94 0.38 -1.97 5.15 -5.35 -1.26 -4.53 119.36 119.72 2jyc n ILE 120 Ca 0.47 -0.22 -0.42 0.00 -0.27 0.00 0.00 62.75 62.32 2jyc n ILE 120 Cb 0.40 -0.36 -0.03 0.00 -1.74 0.00 0.00 39.64 37.92 2jyc n ILE 120 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2jyc s GLY 121 N -3.47 1.91 0.00 3.28 0.00 -1.26 -1.38 107.32 106.40 2jyc s GLY 121 Ca 0.10 1.35 0.00 0.00 0.00 0.00 0.00 44.72 46.17 2jyc s GLY 121 CO 0.64 2.47 0.00 0.00 0.00 0.00 0.00 173.10 176.21 2jyc h GLY 123 N 0.00 0.87 -7.21 0.00 0.00 -1.46 -3.29 103.07 91.99 2jyc h GLY 123 Ca 0.00 -0.74 -0.66 0.00 0.00 0.00 0.00 47.33 45.94 2jyc h GLY 123 CO 0.00 0.67 0.34 1.08 0.00 0.00 0.00 176.54 178.64 2jyc s LEU 124 N -8.94 4.76 0.15 3.11 1.02 -0.76 -4.97 118.68 113.06 2jyc s LEU 124 Ca -0.10 -1.07 -0.26 0.00 0.02 0.00 0.00 54.13 52.72 2jyc s LEU 124 Cb 0.13 -2.42 0.01 0.00 0.02 0.00 0.00 46.19 43.93 2jyc s LEU 124 CO 0.84 -1.25 1.59 -0.78 0.02 0.00 0.00 176.35 176.77 2jyc h ASP 125 N 9.35 -1.20 0.34 2.29 3.58 -1.90 -1.55 116.42 127.33 2jyc h ASP 125 Ca -0.29 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2jyc h ASP 125 Cb 1.08 0.53 0.00 0.00 1.72 0.00 0.00 39.33 42.66 2jyc h ASP 125 CO 1.12 -0.36 0.00 0.54 -2.88 0.00 0.00 179.24 177.66 2jyc n ARG 126 N -5.42 0.61 -4.05 0.28 5.12 -1.26 -4.77 116.66 107.17 2jyc n ARG 126 Ca -0.01 0.01 -0.35 0.00 -1.93 0.00 0.00 57.85 55.56 2jyc n ARG 126 Cb 0.34 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 30.06 2jyc n ARG 126 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2jyc s LEU 127 N -2.36 3.93 -0.17 0.55 1.02 -0.58 -5.04 118.68 116.02 2jyc s LEU 127 Ca 0.34 0.21 -0.13 0.00 0.02 0.00 0.00 54.13 54.57 2jyc s LEU 127 Cb 0.20 -1.96 -0.05 0.00 0.02 0.00 0.00 46.19 44.40 2jyc s LEU 127 CO 0.41 0.29 0.26 -1.58 0.02 0.00 0.00 176.35 175.75 2jyc s GLN 128 N -0.33 4.24 0.25 1.70 2.00 -1.26 -3.69 119.66 122.56 2jyc s GLN 128 Ca 0.09 0.03 -0.04 0.00 -2.00 0.00 0.00 55.36 53.44 2jyc s GLN 128 Cb -0.12 -3.43 0.47 0.00 0.80 0.00 0.00 33.01 30.73 2jyc s GLN 128 CO 0.02 0.24 1.72 2.35 -0.50 0.00 0.00 175.29 179.12 2jyc h TRP 129 N 6.72 0.48 -0.58 1.67 2.91 -1.94 -0.90 115.95 124.31 2jyc h TRP 129 Ca -0.41 0.04 0.09 0.00 1.13 0.00 0.00 58.89 59.74 2jyc h TRP 129 Cb 1.16 -0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 29.68 2jyc h TRP 129 CO 0.60 0.04 0.39 1.49 -1.03 0.00 0.00 178.44 179.93 2jyc h GLU 130 N 0.42 0.39 0.00 2.65 4.81 -1.99 0.48 114.58 121.33 2jyc h GLU 130 Ca 0.42 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.48 2jyc h GLU 130 Cb 0.65 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2jyc h GLU 130 CO -0.42 0.26 -0.71 -0.91 -0.73 0.00 0.00 179.01 176.49 2jyc h ASN 131 N 0.40 0.00 0.01 1.04 2.35 -1.60 -3.05 115.58 114.73 2jyc h ASN 131 Ca 0.27 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.95 2jyc h ASN 131 Cb 0.52 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.90 2jyc h ASN 131 CO -0.07 0.71 -0.28 0.58 -1.65 0.00 0.00 177.43 176.73 2jyc h VAL 132 N 0.00 1.56 -0.53 2.81 2.07 -0.37 -2.86 116.25 118.93 2jyc h VAL 132 Ca -0.01 -2.03 0.06 0.00 0.82 0.00 0.00 66.70 65.55 2jyc h VAL 132 Cb 1.47 2.85 -0.06 0.00 -1.52 0.00 0.00 31.29 34.04 2jyc h VAL 132 CO 0.09 0.55 0.22 0.77 0.02 0.00 0.00 177.57 179.23 2jyc h SER 133 N -0.53 0.27 -0.58 0.57 4.64 -0.26 0.36 113.55 118.01 2jyc h SER 133 Ca -0.04 0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 2jyc h SER 133 Cb 1.06 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.14 2jyc h SER 133 CO 0.05 0.18 0.22 0.00 -0.87 0.00 0.00 176.83 176.42 2jyc h ALA 134 N 1.33 0.76 -0.52 5.18 0.00 -1.64 -2.09 119.26 122.28 2jyc h ALA 134 Ca 0.25 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2jyc h ALA 134 Cb 0.24 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2jyc h ALA 134 CO -0.22 0.39 0.23 1.98 0.00 0.00 0.00 179.25 181.62 2jyc h MET 135 N 0.81 0.43 -0.92 0.00 -1.53 -1.09 -0.33 114.93 112.31 2jyc h MET 135 Ca 0.19 -0.03 0.02 0.00 -3.44 0.00 0.00 59.70 56.44 2jyc h MET 135 Cb 0.22 -0.10 -0.05 0.00 -0.55 0.00 0.00 31.60 31.13 2jyc h MET 135 CO -0.01 0.28 0.61 0.82 0.14 0.00 0.00 176.91 178.75 2jyc h ILE 136 N 0.44 1.21 -0.12 1.77 2.04 -0.64 0.54 117.51 122.75 2jyc h ILE 136 Ca 0.24 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 2jyc h ILE 136 Cb 0.21 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 2jyc h ILE 136 CO -0.21 0.22 -0.24 -0.33 0.00 0.00 0.00 178.15 177.60 2jyc h GLU 137 N 1.22 0.21 0.07 2.37 5.08 -0.63 -0.50 114.58 122.41 2jyc h GLU 137 Ca 0.35 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2jyc h GLU 137 Cb -0.10 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2jyc h GLU 137 CO -0.09 0.44 -0.04 0.93 -1.00 0.00 0.00 179.01 179.26 2jyc h GLU 138 N 0.19 -0.09 -0.45 2.33 5.08 0.32 -2.88 114.58 119.08 2jyc h GLU 138 Ca 0.03 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2jyc h GLU 138 Cb 0.53 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2jyc h GLU 138 CO 0.04 0.39 0.05 0.28 -1.00 0.00 0.00 179.01 178.77 2jyc h VAL 139 N -0.64 1.25 0.00 3.13 2.07 -0.88 -2.56 116.25 118.61 2jyc h VAL 139 Ca -0.01 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2jyc h VAL 139 Cb 0.53 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2jyc h VAL 139 CO 0.02 0.33 0.00 0.49 0.02 0.00 0.00 177.57 178.42 2jyc n PHE 140 N -4.44 0.37 -1.66 1.57 3.72 -0.20 -4.75 117.46 112.07 2jyc n PHE 140 Ca 0.00 0.15 -0.43 0.00 -0.05 0.00 0.00 57.45 57.13 2jyc n PHE 140 Cb 0.26 -0.75 -0.01 0.00 -0.94 0.00 0.00 39.48 38.05 2jyc n PHE 140 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2jyc n GLU 141 N -1.85 1.85 -0.90 -1.08 -0.58 -0.97 -1.07 120.64 116.05 2jyc n GLU 141 Ca 0.02 0.65 0.00 0.00 -0.42 0.00 0.00 57.16 57.41 2jyc n GLU 141 Cb 0.16 -2.17 0.00 0.00 -0.57 0.00 0.00 31.44 28.86 2jyc n GLU 141 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jyc n ALA 142 N 0.23 0.00 0.02 0.62 0.00 -1.26 -4.75 120.51 115.37 2jyc n ALA 142 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2jyc n ALA 142 Cb 0.35 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.33 2jyc n ALA 142 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jyc n THR 143 N -2.30 0.36 -2.62 0.00 -2.24 -0.38 -5.11 114.28 101.99 2jyc n THR 143 Ca 0.00 0.12 -0.03 0.00 -2.27 0.00 0.00 64.05 61.87 2jyc n THR 143 Cb 0.09 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 2jyc n THR 143 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jyc n ASP 144 N -3.12 -7.29 -4.46 3.42 2.03 -0.23 -5.06 116.55 101.85 2jyc n ASP 144 Ca 0.00 0.92 -0.32 0.00 0.52 0.00 0.00 54.79 55.91 2jyc n ASP 144 Cb 0.28 -4.85 -0.13 0.00 -0.72 0.00 0.00 41.12 35.70 2jyc n ASP 144 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jyc s ILE 145 N -1.87 2.86 -0.11 5.18 1.01 -1.26 -5.00 121.20 122.02 2jyc s ILE 145 Ca 0.10 -0.96 -0.27 0.00 0.00 0.00 0.00 60.65 59.52 2jyc s ILE 145 Cb -0.03 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 2jyc s ILE 145 CO 0.69 0.47 0.87 -0.54 0.00 0.00 0.00 174.94 176.43 2jyc s LYS 146 N -1.05 4.39 -0.14 2.79 -0.14 -0.22 -4.63 119.74 120.74 2jyc s LYS 146 Ca 0.13 1.14 0.00 0.00 -1.36 0.00 0.00 55.97 55.88 2jyc s LYS 146 Cb -0.11 -3.53 0.03 0.00 -1.68 0.00 0.00 37.83 32.55 2jyc s LYS 146 CO 0.03 -0.21 -0.11 0.42 -0.76 0.00 0.00 175.35 174.72 2jyc s ILE 147 N 1.69 1.35 -0.25 2.17 1.01 -0.83 -0.41 121.20 125.93 2jyc s ILE 147 Ca 0.43 -0.56 -0.09 0.00 0.00 0.00 0.00 60.65 60.43 2jyc s ILE 147 Cb -0.18 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 2jyc s ILE 147 CO 0.17 0.36 0.12 -0.89 0.00 0.00 0.00 174.94 174.70 2jyc s THR 148 N 1.56 4.82 -0.31 2.92 2.01 0.71 -0.74 115.64 126.61 2jyc s THR 148 Ca 0.04 -0.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.92 2jyc s THR 148 Cb -0.13 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 2jyc s THR 148 CO -0.09 0.32 0.20 -0.69 -0.69 0.00 0.00 174.62 173.67 2jyc s VAL 149 N 1.45 5.18 -0.39 3.82 1.01 0.20 -0.66 120.40 131.01 2jyc s VAL 149 Ca 0.06 -0.08 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 2jyc s VAL 149 Cb -0.15 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.67 2jyc s VAL 149 CO 0.06 0.12 0.58 -0.31 0.00 0.00 0.00 175.10 175.55 2jyc s TYR 150 N 1.72 3.13 -0.22 5.22 1.51 0.51 -0.29 117.35 128.93 2jyc s TYR 150 Ca 0.06 0.06 -0.13 0.00 -1.01 0.00 0.00 57.07 56.06 2jyc s TYR 150 Cb -0.17 -3.13 -0.04 0.00 -0.11 0.00 0.00 41.96 38.50 2jyc s TYR 150 CO 0.10 -0.71 0.27 0.95 -1.11 0.00 0.00 175.55 175.06 2jyc s THR 151 N 2.60 5.28 0.00 -0.71 -4.23 0.10 -1.47 115.64 117.21 2jyc s THR 151 Ca 0.21 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 2jyc s THR 151 Cb -0.15 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.08 2jyc s THR 151 CO 0.16 0.30 0.00 -0.11 -0.54 0.00 0.00 174.62 174.43