#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 2.93 -0.31 -1.84 0.00 -1.26 -4.94 121.76 116.35 2jyc s ALA 2 Ca 0.00 -2.41 -0.29 0.00 0.00 0.00 0.00 51.96 49.26 2jyc s ALA 2 Cb 0.00 -4.36 -0.07 0.00 0.00 0.00 0.00 23.12 18.69 2jyc s ALA 2 CO 0.00 -3.40 2.26 0.43 0.00 0.00 0.00 175.76 175.06 2jyc n SER 3 N 8.12 2.80 -3.48 0.00 7.64 -1.26 -4.89 113.62 122.54 2jyc n SER 3 Ca 0.29 0.12 -0.27 0.00 1.01 0.00 0.00 58.87 60.02 2jyc n SER 3 Cb 0.50 -1.49 -0.13 0.00 -1.01 0.00 0.00 64.21 62.09 2jyc n SER 3 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jyc s SER 4 N 8.82 2.96 -0.24 6.43 0.01 -1.26 -3.99 113.70 126.43 2jyc s SER 4 Ca 1.03 -1.55 -0.03 0.00 1.31 0.00 0.00 55.95 56.71 2jyc s SER 4 Cb -0.44 -0.20 0.13 0.00 0.21 0.00 0.00 66.02 65.73 2jyc s SER 4 CO 0.37 -0.38 0.42 -1.48 0.41 0.00 0.00 173.24 172.58 2jyc s LEU 5 N 1.74 -0.74 0.00 2.44 2.34 0.45 -3.92 118.68 120.98 2jyc s LEU 5 Ca 0.13 0.47 0.00 0.00 0.06 0.00 0.00 54.13 54.78 2jyc s LEU 5 Cb -0.18 1.32 0.00 0.00 -0.56 0.00 0.00 46.19 46.76 2jyc s LEU 5 CO -0.21 -0.28 0.00 -0.46 -1.06 0.00 0.00 176.35 174.34 2jyc n ASN 6 N 5.38 0.00 -3.65 1.48 6.94 -1.26 -4.84 115.26 119.30 2jyc n ASN 6 Ca -0.04 0.00 -0.11 0.00 -0.02 0.00 0.00 54.58 54.40 2jyc n ASN 6 Cb 0.50 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.84 2jyc n ASN 6 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2jyc s GLU 7 N -2.00 0.71 -0.04 -3.83 2.12 -1.26 -3.61 118.70 110.79 2jyc s GLU 7 Ca 0.00 0.99 0.07 0.00 0.36 0.00 0.00 54.97 56.39 2jyc s GLU 7 Cb 0.00 0.26 -0.01 0.00 0.26 0.00 0.00 34.13 34.64 2jyc s GLU 7 CO 0.00 -0.12 -0.25 0.34 -0.54 0.00 0.00 175.26 174.69 2jyc s ASP 8 N 0.84 3.09 1.29 -1.70 2.15 -1.26 -5.13 116.67 115.95 2jyc s ASP 8 Ca -0.04 -0.49 -0.18 0.00 0.43 0.00 0.00 52.55 52.27 2jyc s ASP 8 Cb -0.05 -0.66 0.31 0.00 -0.30 0.00 0.00 42.92 42.23 2jyc s ASP 8 CO -0.07 0.27 0.85 -2.65 -0.17 0.00 0.00 175.17 173.40 2jyc n PRO 9 N 2.75 -3.41 -2.64 4.34 -0.02 -1.26 -4.85 135.00 129.91 2jyc n PRO 9 Ca -0.17 -0.99 -0.43 0.00 -2.02 0.00 0.00 63.50 59.89 2jyc n PRO 9 Cb 0.52 -2.00 -0.01 0.00 -0.02 0.00 0.00 33.50 31.99 2jyc n PRO 9 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2jyc s GLU 10 N -4.51 3.93 0.04 -0.52 2.02 -1.26 -4.78 118.70 113.62 2jyc s GLU 10 Ca 0.66 -1.93 -0.31 0.00 0.02 0.00 0.00 54.97 53.41 2jyc s GLU 10 Cb -0.19 -5.42 -0.18 0.00 0.10 0.00 0.00 34.13 28.44 2jyc s GLU 10 CO 0.61 -2.17 1.38 0.78 0.02 0.00 0.00 175.26 175.89 2jyc h GLY 11 N 12.13 -1.00 0.00 -1.39 0.00 -1.92 -3.49 103.07 107.39 2jyc h GLY 11 Ca 0.38 0.37 0.00 0.00 0.00 0.00 0.00 47.33 48.08 2jyc h GLY 11 CO 1.41 -0.36 0.00 -1.26 0.00 0.00 0.00 176.54 176.33 2jyc n SER 12 N -5.45 0.00 -0.01 0.19 2.88 -1.26 -5.03 113.62 104.94 2jyc n SER 12 Ca -0.13 -0.47 -0.11 0.00 -1.33 0.00 0.00 58.87 56.83 2jyc n SER 12 Cb 0.40 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.81 2jyc n SER 12 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2jyc h ARG 13 N 0.00 0.17 -5.04 -1.46 9.65 -1.90 -3.38 114.38 112.42 2jyc h ARG 13 Ca 0.00 -0.01 -0.65 0.00 -1.10 0.00 0.00 59.98 58.22 2jyc h ARG 13 Cb 0.00 -0.04 -0.25 0.00 -1.39 0.00 0.00 29.97 28.29 2jyc h ARG 13 CO 0.00 0.12 -0.68 0.42 2.80 0.00 0.00 179.97 182.63 2jyc s ILE 14 N -6.15 3.79 -0.20 1.20 1.01 -1.26 -0.39 121.20 119.20 2jyc s ILE 14 Ca -0.13 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 2jyc s ILE 14 Cb 0.07 -2.73 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 2jyc s ILE 14 CO 0.68 0.41 -0.07 -0.89 0.00 0.00 0.00 174.94 175.07 2jyc s THR 15 N 1.30 3.27 -0.26 2.92 2.01 0.96 -4.95 115.64 120.89 2jyc s THR 15 Ca 0.04 -0.54 -0.15 0.00 0.31 0.00 0.00 61.69 61.35 2jyc s THR 15 Cb -0.15 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 2jyc s THR 15 CO 0.00 0.45 0.37 -0.31 -0.69 0.00 0.00 174.62 174.44 2jyc s TYR 16 N 1.19 3.27 -0.01 4.92 2.02 -1.26 0.15 117.35 127.63 2jyc s TYR 16 Ca 0.02 0.43 -0.01 0.00 -0.37 0.00 0.00 57.07 57.14 2jyc s TYR 16 Cb -0.14 -2.55 0.00 0.00 -0.40 0.00 0.00 41.96 38.87 2jyc s TYR 16 CO -0.02 -0.18 0.02 0.08 -1.57 0.00 0.00 175.55 173.88 2jyc s VAL 17 N 1.91 0.00 -0.05 0.71 1.01 -0.07 -4.96 120.40 118.96 2jyc s VAL 17 Ca 0.15 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 2jyc s VAL 17 Cb -0.16 -0.04 -0.05 0.00 0.00 0.00 0.00 36.38 36.13 2jyc s VAL 17 CO 0.09 -0.02 0.29 -1.59 0.00 0.00 0.00 175.10 173.87 2jyc s LYS 18 N -0.04 3.69 0.00 2.72 0.00 -1.26 -1.04 119.74 123.80 2jyc s LYS 18 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 55.97 56.11 2jyc s LYS 18 Cb -0.00 -3.19 0.00 0.00 0.00 0.00 0.00 37.83 34.63 2jyc s LYS 18 CO -0.00 0.72 0.00 0.41 0.00 0.00 0.00 175.35 176.48 2jyc n GLY 19 N 1.83 1.23 0.14 0.59 0.00 -1.26 -4.92 105.19 102.80 2jyc n GLY 19 Ca -0.16 -0.77 0.03 0.00 0.00 0.00 0.00 46.02 45.12 2jyc n GLY 19 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2jyc h ASP 20 N 0.00 0.00 0.00 1.61 3.58 -1.95 -3.47 116.42 116.19 2jyc h ASP 20 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jyc h ASP 20 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2jyc h ASP 20 CO 0.00 0.45 0.00 -0.11 -2.88 0.00 0.00 179.24 176.70 2jyc n LEU 21 N -3.12 0.00 0.03 2.28 -0.00 -1.26 -4.43 117.00 110.51 2jyc n LEU 21 Ca -0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.87 2jyc n LEU 21 Cb 0.73 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 44.12 2jyc n LEU 21 CO 0.40 0.00 0.27 -0.26 -0.00 0.00 0.00 177.39 177.80 2jyc h PHE 22 N 0.00 0.77 -0.41 1.96 -1.00 -1.94 -2.94 116.94 113.38 2jyc h PHE 22 Ca 0.00 -0.36 0.00 0.00 2.81 0.00 0.00 57.97 60.42 2jyc h PHE 22 Cb 0.00 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.45 2jyc h PHE 22 CO 0.00 1.16 0.00 0.00 -1.61 0.00 0.00 178.31 177.86 2jyc n ALA 23 N -2.56 2.80 -2.04 2.45 0.00 -1.26 -4.61 120.51 115.29 2jyc n ALA 23 Ca -0.06 -0.94 -0.29 0.00 0.00 0.00 0.00 53.44 52.15 2jyc n ALA 23 Cb 0.76 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 19.21 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 -2.55 0.00 0.10 0.00 -0.04 -1.24 -4.28 135.00 127.00 2jyc n PRO 25 Ca 0.04 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 2jyc n PRO 25 Cb 0.55 -1.31 0.45 0.00 -0.04 0.00 0.00 33.50 33.15 2jyc n PRO 25 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2jyc n LYS 26 N 2.77 0.19 0.15 0.54 -0.00 -1.25 -2.71 118.16 117.84 2jyc n LYS 26 Ca 0.24 0.29 0.13 0.00 -0.00 0.00 0.00 58.31 58.97 2jyc n LYS 26 Cb -0.01 -1.78 0.41 0.00 -0.00 0.00 0.00 35.03 33.65 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 -3.13 0.58 1.35 -1.89 -3.40 112.91 106.42 2jyc h THR 27 Ca 0.00 -0.52 -0.62 0.00 -0.55 0.00 0.00 66.41 64.73 2jyc h THR 27 Cb 0.51 1.46 -0.11 0.00 -1.73 0.00 0.00 68.15 68.28 2jyc h THR 27 CO 0.00 0.00 -0.49 -1.81 -0.25 0.00 0.00 175.52 172.97 2jyc s ASP 28 N -4.89 6.25 0.80 5.36 1.11 -1.10 -4.54 116.67 119.65 2jyc s ASP 28 Ca 0.07 0.28 -0.12 0.00 0.18 0.00 0.00 52.55 52.97 2jyc s ASP 28 Cb 0.10 -2.08 0.07 0.00 1.07 0.00 0.00 42.92 42.07 2jyc s ASP 28 CO 0.56 0.23 1.12 -0.44 1.18 0.00 0.00 175.17 177.82 2jyc s SER 29 N 0.05 4.59 0.01 0.27 0.01 0.45 -4.67 113.70 114.41 2jyc s SER 29 Ca 0.10 1.07 0.08 0.00 1.31 0.00 0.00 55.95 58.50 2jyc s SER 29 Cb -0.11 -1.74 -0.02 0.00 0.21 0.00 0.00 66.02 64.36 2jyc s SER 29 CO -0.01 -1.88 -0.24 -0.22 0.41 0.00 0.00 173.24 171.30 2jyc s LEU 30 N -5.66 2.10 0.15 2.44 2.96 0.23 0.72 118.68 121.62 2jyc s LEU 30 Ca 0.61 -0.49 0.05 0.00 -0.22 0.00 0.00 54.13 54.08 2jyc s LEU 30 Cb -0.13 -1.20 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 2jyc s LEU 30 CO 0.52 0.26 -0.10 0.00 -1.32 0.00 0.00 176.35 175.71 2jyc s ALA 31 N -0.67 1.48 0.27 5.97 0.00 0.27 0.91 121.76 130.00 2jyc s ALA 31 Ca 0.10 -1.50 -0.13 0.00 0.00 0.00 0.00 51.96 50.43 2jyc s ALA 31 Cb -0.09 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.07 2jyc s ALA 31 CO 0.00 -0.08 0.54 -1.01 0.00 0.00 0.00 175.76 175.21 2jyc s HIS 32 N -3.28 0.33 -0.08 0.00 0.09 -0.27 -4.09 115.29 107.99 2jyc s HIS 32 Ca 0.17 -0.72 0.04 0.00 -0.00 0.00 0.00 55.06 54.55 2jyc s HIS 32 Cb 0.02 0.30 -0.01 0.00 -0.00 0.00 0.00 32.58 32.89 2jyc s HIS 32 CO 0.01 -1.10 -0.21 0.00 -0.00 0.00 0.00 174.74 173.44 2jyc s ILE 34 N -0.04 0.00 0.06 0.00 -4.36 0.36 -4.87 121.20 112.34 2jyc s ILE 34 Ca -0.06 -1.77 -0.10 0.00 -0.26 0.00 0.00 60.65 58.46 2jyc s ILE 34 Cb -0.15 -2.40 -0.06 0.00 1.25 0.00 0.00 42.46 41.11 2jyc s ILE 34 CO 0.05 0.00 0.37 -0.94 0.24 0.00 0.00 174.94 174.66 2jyc s SER 35 N -3.12 6.62 0.39 4.36 1.04 -1.26 -2.89 113.70 118.84 2jyc s SER 35 Ca 0.33 0.76 0.14 0.00 0.48 0.00 0.00 55.95 57.65 2jyc s SER 35 Cb 0.04 -2.16 0.96 0.00 0.10 0.00 0.00 66.02 64.96 2jyc s SER 35 CO 0.12 0.20 1.86 1.05 0.98 0.00 0.00 173.24 177.45 2jyc h GLU 36 N 3.85 0.52 0.00 4.02 4.11 -1.45 0.16 114.58 125.78 2jyc h GLU 36 Ca -0.49 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.90 2jyc h GLU 36 Cb 1.20 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2jyc h GLU 36 CO 0.66 0.34 0.00 -0.25 0.07 0.00 0.00 179.01 179.83 2jyc n ASP 37 N -4.55 0.00 -3.38 3.06 9.92 -1.23 -4.83 116.55 115.54 2jyc n ASP 37 Ca 0.19 -0.51 -0.25 0.00 -0.53 0.00 0.00 54.79 53.69 2jyc n ASP 37 Cb 0.60 -0.07 0.02 0.00 -0.64 0.00 0.00 41.12 41.03 2jyc n ASP 37 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jyc h ARG 39 N -1.50 1.19 0.00 0.00 -0.00 -1.90 -3.44 114.38 108.74 2jyc h ARG 39 Ca -0.51 -0.21 0.00 0.00 -0.00 0.00 0.00 59.98 59.26 2jyc h ARG 39 Cb 1.34 -0.20 0.00 0.00 -0.00 0.00 0.00 29.97 31.12 2jyc h ARG 39 CO 0.58 0.96 0.00 -1.33 -0.00 0.00 0.00 179.97 180.17 2jyc n MET 40 N -4.29 0.00 0.00 0.08 2.81 -1.26 -4.78 117.12 109.68 2jyc n MET 40 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 2jyc n MET 40 Cb 0.18 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.69 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 2.45 3.47 3.03 0.00 -1.26 -4.86 105.19 108.01 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 -0.67 0.10 0.00 4.61 0.00 -1.26 -4.92 121.76 119.62 2jyc s ALA 42 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2jyc s ALA 42 Cb 0.00 1.11 0.00 0.00 0.00 0.00 0.00 23.12 24.23 2jyc s ALA 42 CO 0.00 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.40 2jyc n GLY 43 N -0.33 -3.36 0.22 0.00 0.00 -1.26 -4.23 105.19 96.23 2jyc n GLY 43 Ca -0.02 -2.09 0.10 0.00 0.00 0.00 0.00 46.02 44.02 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 0.41 0.00 -0.61 2.10 -2.01 -2.92 117.51 114.49 2jyc h ILE 44 Ca 0.00 -1.16 -0.05 0.00 1.08 0.00 0.00 64.86 64.73 2jyc h ILE 44 Cb 0.00 1.85 -0.01 0.00 -1.09 0.00 0.00 36.82 37.58 2jyc h ILE 44 CO 0.00 0.19 -0.24 0.00 -1.08 0.00 0.00 178.15 177.02 2jyc h ALA 45 N 1.81 1.20 -0.14 0.18 0.00 -1.93 -2.52 119.26 117.87 2jyc h ALA 45 Ca -0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 2jyc h ALA 45 Cb 0.84 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2jyc h ALA 45 CO 0.02 0.30 -0.49 -0.24 0.00 0.00 0.00 179.25 178.85 2jyc h VAL 46 N 0.00 1.33 -0.51 0.00 3.04 -1.69 -0.54 116.25 117.89 2jyc h VAL 46 Ca -0.00 -1.72 -0.03 0.00 -1.01 0.00 0.00 66.70 63.94 2jyc h VAL 46 Cb 0.59 1.77 -0.02 0.00 -2.01 0.00 0.00 31.29 31.62 2jyc h VAL 46 CO 0.03 0.52 0.21 -0.07 -1.01 0.00 0.00 177.57 177.25 2jyc h LEU 47 N 0.29 0.69 -0.75 3.16 3.38 -1.59 -2.23 115.31 118.26 2jyc h LEU 47 Ca 0.01 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 2jyc h LEU 47 Cb 0.97 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2jyc h LEU 47 CO 0.08 0.67 -0.55 -0.26 0.09 0.00 0.00 178.44 178.47 2jyc h PHE 48 N 0.68 0.25 -0.08 1.13 -1.00 -1.19 -0.71 116.94 116.01 2jyc h PHE 48 Ca 0.17 -0.09 -0.11 0.00 2.81 0.00 0.00 57.97 60.75 2jyc h PHE 48 Cb 0.19 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 2jyc h PHE 48 CO 0.00 0.71 -0.47 1.57 -1.61 0.00 0.00 178.31 178.52 2jyc h LYS 49 N 0.15 0.20 0.00 1.51 5.09 -0.97 0.39 116.57 122.94 2jyc h LYS 49 Ca -0.00 -0.10 -0.13 0.00 0.09 0.00 0.00 60.65 60.50 2jyc h LYS 49 Cb 1.02 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.34 2jyc h LYS 49 CO 0.08 0.63 -0.63 0.87 -2.09 0.00 0.00 179.45 178.31 2jyc h LYS 50 N 0.16 0.00 0.11 0.07 1.57 -0.99 0.10 116.57 117.60 2jyc h LYS 50 Ca 0.01 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 2jyc h LYS 50 Cb 0.89 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.22 2jyc h LYS 50 CO 0.07 0.63 -0.70 0.87 -0.57 0.00 0.00 179.45 179.75 2jyc h LYS 51 N 0.00 0.27 0.00 3.15 1.79 -0.64 -3.40 116.57 117.74 2jyc h LYS 51 Ca -0.01 -0.45 -0.03 0.00 -2.18 0.00 0.00 60.65 57.99 2jyc h LYS 51 Cb 1.16 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.97 2jyc h LYS 51 CO 0.08 1.20 -1.67 1.19 -1.08 0.00 0.00 179.45 179.18 2jyc n PHE 52 N -4.19 0.00 -3.52 -1.35 3.72 0.08 -5.01 117.46 107.19 2jyc n PHE 52 Ca -0.13 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.07 2jyc n PHE 52 Cb 0.77 -0.36 0.08 0.00 -0.94 0.00 0.00 39.48 39.03 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 1.78 -0.42 2.23 1.37 0.00 0.35 -4.94 105.19 105.56 2jyc n GLY 53 Ca -0.05 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.48 5.96 0.21 -0.02 0.00 -1.26 -4.72 105.19 103.89 2jyc n GLY 54 Ca -0.18 -2.60 -0.15 0.00 0.00 0.00 0.00 46.02 43.09 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 2.48 1.30 -0.35 1.61 2.07 -1.92 -2.52 116.25 118.93 2jyc h VAL 55 Ca 0.31 -1.71 -0.08 0.00 0.82 0.00 0.00 66.70 66.05 2jyc h VAL 55 Cb 1.31 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 2jyc h VAL 55 CO 0.76 0.54 -0.11 1.56 0.02 0.00 0.00 177.57 180.34 2jyc h GLN 56 N 0.45 0.59 -0.37 1.57 4.20 -1.98 -0.46 115.11 119.11 2jyc h GLN 56 Ca 0.00 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 2jyc h GLN 56 Cb 1.10 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 2jyc h GLN 56 CO 0.11 0.70 0.20 0.93 -0.67 0.00 0.00 178.83 180.10 2jyc h GLU 57 N 0.55 0.51 0.11 1.46 5.08 -1.84 0.32 114.58 120.76 2jyc h GLU 57 Ca 0.10 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2jyc h GLU 57 Cb 0.52 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2jyc h GLU 57 CO 0.03 0.38 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.29 2jyc h LEU 58 N 0.51 -0.12 -0.78 1.33 3.38 -0.95 -3.26 115.31 115.42 2jyc h LEU 58 Ca 0.13 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.69 2jyc h LEU 58 Cb 0.02 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2jyc h LEU 58 CO -0.02 0.48 0.50 -0.07 0.09 0.00 0.00 178.44 179.42 2jyc h LEU 59 N -0.84 0.83 -2.33 1.67 3.38 -0.77 -1.71 115.31 115.54 2jyc h LEU 59 Ca -0.02 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jyc h LEU 59 Cb 0.56 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2jyc h LEU 59 CO 0.02 0.57 -0.00 0.78 0.09 0.00 0.00 178.44 179.90 2jyc h ASN 60 N 0.97 0.00 0.92 -0.43 2.35 -0.51 -0.83 115.58 118.06 2jyc h ASN 60 Ca 0.31 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.89 2jyc h ASN 60 Cb 0.01 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 2jyc h ASN 60 CO -0.11 0.00 -0.84 1.56 -1.65 0.00 0.00 177.43 176.39 2jyc h GLN 61 N 0.00 0.00 -5.89 0.81 4.20 -1.35 -3.49 115.11 109.39 2jyc h GLN 61 Ca -0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 2jyc h GLN 61 Cb 0.22 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.01 2jyc h GLN 61 CO 0.00 0.84 -0.77 1.04 -0.67 0.00 0.00 178.83 179.27 2jyc n GLN 62 N -3.47 -2.05 -3.40 1.46 6.02 -0.32 -5.02 117.38 110.60 2jyc n GLN 62 Ca -0.00 1.70 -0.34 0.00 -0.01 0.00 0.00 57.00 58.34 2jyc n GLN 62 Cb 0.82 -4.06 -0.06 0.00 1.02 0.00 0.00 30.24 27.97 2jyc n GLN 62 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2jyc s LYS 63 N -2.78 3.90 0.46 -1.09 3.01 -1.26 -5.10 119.74 116.88 2jyc s LYS 63 Ca 0.26 0.39 0.08 0.00 -1.01 0.00 0.00 55.97 55.69 2jyc s LYS 63 Cb -0.05 -2.85 0.03 0.00 -1.01 0.00 0.00 37.83 33.95 2jyc s LYS 63 CO 0.82 0.44 0.60 0.15 0.51 0.00 0.00 175.35 177.87 2jyc s LYS 64 N -2.23 2.67 -0.19 1.68 -0.14 -1.26 -4.78 119.74 115.49 2jyc s LYS 64 Ca 0.40 -1.37 -0.29 0.00 -1.36 0.00 0.00 55.97 53.36 2jyc s LYS 64 Cb -0.14 -2.69 -0.05 0.00 -1.68 0.00 0.00 37.83 33.27 2jyc s LYS 64 CO 0.20 -0.41 2.02 -1.54 -0.76 0.00 0.00 175.35 174.86 2jyc s SER 65 N -4.41 5.84 0.00 2.83 1.04 -1.26 -1.37 113.70 116.37 2jyc s SER 65 Ca 0.56 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.89 2jyc s SER 65 Cb -0.08 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2jyc s SER 65 CO 0.34 -1.66 0.00 0.61 0.98 0.00 0.00 173.24 173.51 2jyc n GLY 66 N 5.33 1.30 3.44 7.32 0.00 0.86 -4.82 105.19 118.62 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 -0.12 1.57 -0.08 1.61 2.02 -0.47 -3.23 118.70 120.00 2jyc s GLU 67 Ca 0.00 -1.77 0.05 0.00 0.02 0.00 0.00 54.97 53.27 2jyc s GLU 67 Cb 0.00 -1.36 -0.00 0.00 0.10 0.00 0.00 34.13 32.86 2jyc s GLU 67 CO 0.00 0.15 -0.24 0.54 0.02 0.00 0.00 175.26 175.73 2jyc s VAL 68 N -2.83 1.99 0.08 2.63 0.11 -1.26 -0.92 120.40 120.19 2jyc s VAL 68 Ca 0.29 -1.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.24 2jyc s VAL 68 Cb 0.01 -1.70 -0.06 0.00 -1.53 0.00 0.00 36.38 33.10 2jyc s VAL 68 CO 0.12 0.55 0.39 0.00 -3.33 0.00 0.00 175.10 172.83 2jyc s ALA 69 N 0.14 3.74 0.00 1.54 0.00 0.33 -4.88 121.76 122.62 2jyc s ALA 69 Ca -0.12 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.44 2jyc s ALA 69 Cb -0.16 -2.25 -0.00 0.00 0.00 0.00 0.00 23.12 20.71 2jyc s ALA 69 CO 0.06 0.58 -0.03 0.54 0.00 0.00 0.00 175.76 176.91 2jyc s VAL 70 N -1.40 0.20 -0.16 0.00 0.11 -1.26 0.07 120.40 117.96 2jyc s VAL 70 Ca 0.33 -0.16 0.01 0.00 -2.93 0.00 0.00 61.98 59.23 2jyc s VAL 70 Cb -0.14 -0.19 0.01 0.00 -1.53 0.00 0.00 36.38 34.53 2jyc s VAL 70 CO 0.18 0.02 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.03 2jyc s LEU 71 N -0.15 2.29 -0.17 2.54 1.43 0.82 -4.94 118.68 120.51 2jyc s LEU 71 Ca 0.00 -0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 52.41 2jyc s LEU 71 Cb -0.02 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 2jyc s LEU 71 CO -0.00 0.06 0.32 -0.75 0.23 0.00 0.00 176.35 176.21 2jyc s LYS 72 N 0.95 4.24 0.31 1.70 2.20 -1.26 -0.02 119.74 127.86 2jyc s LYS 72 Ca -0.03 0.12 0.04 0.00 -0.36 0.00 0.00 55.97 55.73 2jyc s LYS 72 Cb -0.15 -3.45 -0.06 0.00 -1.51 0.00 0.00 37.83 32.66 2jyc s LYS 72 CO -0.04 0.18 0.05 1.03 -0.36 0.00 0.00 175.35 176.21 2jyc s ARG 73 N 0.65 1.59 0.28 4.03 1.81 -0.99 -5.01 118.95 121.32 2jyc s ARG 73 Ca 0.17 -1.87 0.02 0.00 -1.72 0.00 0.00 55.73 52.34 2jyc s ARG 73 Cb -0.13 -0.80 0.42 0.00 -0.45 0.00 0.00 34.95 33.98 2jyc s ARG 73 CO 0.05 -0.17 1.73 -0.44 -0.68 0.00 0.00 175.30 175.79 2jyc h ASP 74 N 2.19 0.50 0.06 0.23 5.19 -2.03 -3.32 116.42 119.25 2jyc h ASP 74 Ca -0.40 -0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 55.84 2jyc h ASP 74 Cb 1.24 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.62 2jyc h ASP 74 CO 0.68 0.73 -0.03 1.23 -3.12 0.00 0.00 179.24 178.73 2jyc h GLY 75 N 1.00 -0.09 -2.85 2.75 0.00 -1.96 -3.49 103.07 98.42 2jyc h GLY 75 Ca 0.07 0.03 -0.18 0.00 0.00 0.00 0.00 47.33 47.26 2jyc h GLY 75 CO 0.04 -0.03 -0.61 1.09 0.00 0.00 0.00 176.54 177.04 2jyc s ARG 76 N -1.74 0.97 -0.07 4.80 1.70 -1.25 -4.77 118.95 118.59 2jyc s ARG 76 Ca -0.01 -1.42 -0.15 0.00 -0.47 0.00 0.00 55.73 53.68 2jyc s ARG 76 Cb 0.00 0.26 -0.05 0.00 -0.57 0.00 0.00 34.95 34.59 2jyc s ARG 76 CO 0.04 -0.29 0.38 0.71 -1.08 0.00 0.00 175.30 175.06 2jyc s TYR 77 N -4.04 3.62 -0.22 5.89 1.51 -1.26 -2.35 117.35 120.49 2jyc s TYR 77 Ca 0.24 0.86 -0.06 0.00 -1.01 0.00 0.00 57.07 57.09 2jyc s TYR 77 Cb 0.07 -2.33 -0.03 0.00 -0.11 0.00 0.00 41.96 39.56 2jyc s TYR 77 CO 0.02 0.46 0.04 0.42 -1.11 0.00 0.00 175.55 175.38 2jyc s ILE 78 N -0.39 4.22 0.03 2.71 -1.09 0.97 -0.60 121.20 127.06 2jyc s ILE 78 Ca 0.22 -0.21 0.01 0.00 -2.23 0.00 0.00 60.65 58.44 2jyc s ILE 78 Cb -0.15 -2.94 -0.04 0.00 -1.58 0.00 0.00 42.46 37.75 2jyc s ILE 78 CO 0.10 0.39 0.07 -0.31 -1.23 0.00 0.00 174.94 173.96 2jyc s TYR 79 N 1.18 3.22 -0.29 3.97 1.51 0.26 -0.13 117.35 127.07 2jyc s TYR 79 Ca 0.04 0.13 -0.02 0.00 -1.01 0.00 0.00 57.07 56.22 2jyc s TYR 79 Cb -0.14 -1.68 0.10 0.00 -0.11 0.00 0.00 41.96 40.12 2jyc s TYR 79 CO 0.02 0.53 0.10 0.71 -1.11 0.00 0.00 175.55 175.80 2jyc s TYR 80 N -1.26 1.37 -0.16 2.71 1.51 0.11 -1.11 117.35 120.51 2jyc s TYR 80 Ca 0.25 -1.48 -0.29 0.00 -1.01 0.00 0.00 57.07 54.54 2jyc s TYR 80 Cb -0.12 -1.48 -0.02 0.00 -0.11 0.00 0.00 41.96 40.23 2jyc s TYR 80 CO 0.17 -0.84 1.30 -0.51 -1.11 0.00 0.00 175.55 174.55 2jyc s LEU 81 N 1.74 4.18 -0.62 -1.29 1.43 0.17 -0.52 118.68 123.77 2jyc s LEU 81 Ca 0.08 1.72 -0.21 0.00 -1.03 0.00 0.00 54.13 54.69 2jyc s LEU 81 Cb -0.17 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.59 2jyc s LEU 81 CO -0.26 -0.79 0.87 -0.63 0.23 0.00 0.00 176.35 175.77 2jyc s ILE 82 N 3.58 4.50 -0.06 -0.59 -1.09 -0.10 -0.49 121.20 126.96 2jyc s ILE 82 Ca 0.56 -0.50 -0.07 0.00 -2.23 0.00 0.00 60.65 58.40 2jyc s ILE 82 Cb -0.22 -4.59 -0.29 0.00 -1.58 0.00 0.00 42.46 35.77 2jyc s ILE 82 CO 0.16 -1.30 0.62 0.71 -1.23 0.00 0.00 174.94 173.91 2jyc h THR 83 N 5.96 0.89 -4.01 2.92 1.35 -1.83 0.25 112.91 118.43 2jyc h THR 83 Ca -0.29 -2.53 -0.18 0.00 -0.55 0.00 0.00 66.41 62.87 2jyc h THR 83 Cb 1.08 2.68 -0.16 0.00 -1.73 0.00 0.00 68.15 70.02 2jyc h THR 83 CO 1.14 0.85 -0.69 -1.59 -0.25 0.00 0.00 175.52 174.97 2jyc s LYS 84 N -2.58 0.70 -0.10 4.72 -2.85 -1.26 -4.37 119.74 114.00 2jyc s LYS 84 Ca -0.16 -1.21 -0.04 0.00 -1.00 0.00 0.00 55.97 53.56 2jyc s LYS 84 Cb 0.06 -0.02 -0.01 0.00 -2.06 0.00 0.00 37.83 35.79 2jyc s LYS 84 CO 0.83 -0.05 -0.07 -0.22 0.10 0.00 0.00 175.35 175.94 2jyc h LYS 85 N 3.23 0.00 -6.82 1.78 3.64 -1.90 -2.29 116.57 114.21 2jyc h LYS 85 Ca -0.35 0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 58.59 2jyc h LYS 85 Cb 1.16 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 33.02 2jyc h LYS 85 CO 0.62 0.00 -0.04 1.03 -2.27 0.00 0.00 179.45 178.79 2jyc s ARG 86 N -1.73 2.62 0.34 1.90 1.81 -1.26 -3.49 118.95 119.15 2jyc s ARG 86 Ca -0.06 -0.73 0.08 0.00 -1.72 0.00 0.00 55.73 53.30 2jyc s ARG 86 Cb 0.01 -2.50 0.63 0.00 -0.45 0.00 0.00 34.95 32.64 2jyc s ARG 86 CO 0.09 -0.65 1.81 0.00 -0.68 0.00 0.00 175.30 175.88 2jyc h ALA 87 N 0.12 1.32 -0.30 2.13 0.00 -1.99 -1.82 119.26 118.71 2jyc h ALA 87 Ca -0.43 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2jyc h ALA 87 Cb 1.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jyc h ALA 87 CO 0.53 0.47 0.00 0.43 0.00 0.00 0.00 179.25 180.68 2jyc n SER 88 N -4.15 1.76 -4.85 0.00 7.64 -1.26 -4.87 113.62 107.88 2jyc n SER 88 Ca -0.01 -1.94 -0.32 0.00 1.01 0.00 0.00 58.87 57.61 2jyc n SER 88 Cb 0.37 -0.20 -0.04 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.60 3.44 0.25 1.43 3.76 -0.69 -5.06 115.29 116.83 2jyc s HIS 89 Ca 0.24 1.34 -0.09 0.00 -0.15 0.00 0.00 55.06 56.41 2jyc s HIS 89 Cb 0.13 -2.68 -0.07 0.00 1.11 0.00 0.00 32.58 31.07 2jyc s HIS 89 CO 0.17 -0.24 0.56 -1.59 -0.85 0.00 0.00 174.74 172.80 2jyc s LYS 90 N -3.84 3.76 0.08 1.40 -2.85 -1.26 -4.87 119.74 112.15 2jyc s LYS 90 Ca 0.57 0.22 -0.23 0.00 -1.00 0.00 0.00 55.97 55.53 2jyc s LYS 90 Cb -0.10 -2.63 -0.06 0.00 -2.06 0.00 0.00 37.83 32.97 2jyc s LYS 90 CO 0.29 0.27 0.69 -1.25 0.10 0.00 0.00 175.35 175.45 2jyc s PRO 91 N -3.05 4.41 0.16 1.78 0.04 -1.26 -4.43 135.00 132.66 2jyc s PRO 91 Ca 0.47 0.95 0.07 0.00 0.04 0.00 0.00 61.00 62.53 2jyc s PRO 91 Cb -0.11 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 2jyc s PRO 91 CO 0.24 0.47 -0.03 0.99 0.04 0.00 0.00 177.00 178.71 2jyc s THR 92 N -0.64 3.62 0.32 1.26 2.01 -1.26 -4.96 115.64 115.99 2jyc s THR 92 Ca 0.34 -1.43 0.07 0.00 0.31 0.00 0.00 61.69 60.98 2jyc s THR 92 Cb -0.21 -2.80 0.08 0.00 0.01 0.00 0.00 72.50 69.59 2jyc s THR 92 CO 0.22 -0.08 1.77 1.88 -0.69 0.00 0.00 174.62 177.72 2jyc h TYR 93 N 2.85 0.33 -0.21 4.92 0.05 -1.98 0.17 116.97 123.09 2jyc h TYR 93 Ca -0.47 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.21 2jyc h TYR 93 Cb 1.20 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.85 2jyc h TYR 93 CO 0.63 0.56 -0.00 1.49 -1.05 0.00 0.00 178.16 179.78 2jyc h GLU 94 N 0.26 0.37 -0.35 4.88 4.81 -1.99 -0.38 114.58 122.19 2jyc h GLU 94 Ca 0.04 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2jyc h GLU 94 Cb 0.65 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 2jyc h GLU 94 CO 0.05 0.57 0.23 -0.91 -0.73 0.00 0.00 179.01 178.21 2jyc h ASN 95 N 0.14 0.40 0.08 1.04 4.21 -1.79 -1.11 115.58 118.55 2jyc h ASN 95 Ca 0.06 -0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.55 2jyc h ASN 95 Cb 0.40 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.50 2jyc h ASN 95 CO 0.01 0.30 -0.04 0.25 -1.29 0.00 0.00 177.43 176.66 2jyc h LEU 96 N 0.47 -0.09 -1.10 1.61 5.85 -0.58 -0.96 115.31 120.51 2jyc h LEU 96 Ca 0.13 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2jyc h LEU 96 Cb -0.05 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2jyc h LEU 96 CO -0.03 0.01 0.28 0.06 -0.34 0.00 0.00 178.44 178.42 2jyc h GLN 97 N -0.18 0.91 -0.01 1.25 3.07 -0.93 -1.11 115.11 118.11 2jyc h GLN 97 Ca -0.01 -0.13 -0.09 0.00 0.09 0.00 0.00 58.65 58.51 2jyc h GLN 97 Cb 0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.53 2jyc h GLN 97 CO 0.02 0.73 -0.42 0.87 0.09 0.00 0.00 178.83 180.12 2jyc h LYS 98 N 0.91 0.03 -0.38 0.06 1.57 -1.01 0.33 116.57 118.07 2jyc h LYS 98 Ca 0.22 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 2jyc h LYS 98 Cb 0.13 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2jyc h LYS 98 CO -0.02 0.44 -0.23 0.77 -0.57 0.00 0.00 179.45 179.84 2jyc h SER 99 N 0.03 0.86 -0.52 0.86 0.02 -0.01 0.10 113.55 114.89 2jyc h SER 99 Ca -0.00 -0.42 -0.04 0.00 -0.84 0.00 0.00 61.79 60.48 2jyc h SER 99 Cb 0.75 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 2jyc h SER 99 CO 0.06 1.09 0.16 -0.07 -1.14 0.00 0.00 176.83 176.93 2jyc h LEU 100 N 0.62 0.76 -0.23 5.07 -0.00 -0.79 -1.13 115.31 119.61 2jyc h LEU 100 Ca 0.08 -0.21 0.05 0.00 -0.00 0.00 0.00 57.88 57.80 2jyc h LEU 100 Cb 0.79 -0.20 -0.06 0.00 -0.00 0.00 0.00 40.66 41.20 2jyc h LEU 100 CO 0.06 0.77 -0.14 -0.33 -0.00 0.00 0.00 178.44 178.81 2jyc h GLU 101 N 0.71 -0.11 -0.58 1.13 4.39 -0.17 0.13 114.58 120.08 2jyc h GLU 101 Ca 0.17 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.91 2jyc h GLU 101 Cb 0.28 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 2jyc h GLU 101 CO -0.00 -0.08 0.35 0.00 -1.16 0.00 0.00 179.01 178.11 2jyc h ALA 102 N 1.05 0.76 -0.06 3.43 0.00 -0.58 0.29 119.26 124.15 2jyc h ALA 102 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2jyc h ALA 102 Cb 0.31 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jyc h ALA 102 CO -0.30 0.06 0.02 0.52 0.00 0.00 0.00 179.25 179.55 2jyc h MET 103 N 0.68 0.09 -0.49 0.00 2.86 -0.75 -1.32 114.93 116.00 2jyc h MET 103 Ca 0.24 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.80 2jyc h MET 103 Cb 0.05 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2jyc h MET 103 CO -0.11 0.23 0.03 1.57 1.06 0.00 0.00 176.91 179.68 2jyc h LYS 104 N -0.06 0.79 -0.29 1.72 5.09 -0.31 0.14 116.57 123.64 2jyc h LYS 104 Ca 0.02 -0.20 -0.00 0.00 0.09 0.00 0.00 60.65 60.56 2jyc h LYS 104 Cb 0.17 -0.10 -0.01 0.00 0.10 0.00 0.00 32.23 32.39 2jyc h LYS 104 CO -0.00 0.78 0.17 1.03 -2.09 0.00 0.00 179.45 179.34 2jyc h SER 105 N 0.75 0.36 -0.04 7.07 0.87 -0.36 -2.93 113.55 119.27 2jyc h SER 105 Ca 0.15 -0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 2jyc h SER 105 Cb 0.41 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2jyc h SER 105 CO 0.01 0.32 -0.29 -0.74 -0.53 0.00 0.00 176.83 175.60 2jyc h HIS 106 N 0.37 0.56 -0.65 2.24 -0.00 -0.46 -3.05 115.15 114.17 2jyc h HIS 106 Ca 0.11 -0.13 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 2jyc h HIS 106 Cb 0.03 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.28 2jyc h HIS 106 CO -0.04 0.74 0.42 0.00 -0.00 0.00 0.00 177.93 179.05 2jyc h LEU 108 N 0.88 0.95 -1.71 0.00 4.07 -1.43 0.39 115.31 118.46 2jyc h LEU 108 Ca 0.24 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.17 2jyc h LEU 108 Cb -0.08 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.47 2jyc h LEU 108 CO -0.05 0.60 -0.15 0.11 -1.08 0.00 0.00 178.44 177.87 2jyc h LYS 109 N 1.07 0.00 -0.05 1.13 1.57 -1.34 -2.83 116.57 116.12 2jyc h LYS 109 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2jyc h LYS 109 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2jyc h LYS 109 CO -0.16 0.15 0.00 0.09 -0.57 0.00 0.00 179.45 178.96 2jyc n ASN 110 N -3.57 1.70 -2.35 0.86 3.02 -0.85 -4.99 115.26 109.07 2jyc n ASN 110 Ca -0.01 -1.46 -0.15 0.00 -0.03 0.00 0.00 54.58 52.92 2jyc n ASN 110 Cb 0.29 -0.03 0.04 0.00 -0.61 0.00 0.00 39.78 39.47 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 0.12 -0.05 3.78 7.41 0.00 0.33 -5.00 105.19 111.78 2jyc n GLY 111 Ca 0.03 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.12 5.18 0.00 1.61 1.01 0.11 -4.92 120.40 120.27 2jyc s VAL 112 Ca 0.32 0.73 0.00 0.00 0.00 0.00 0.00 61.98 63.03 2jyc s VAL 112 Cb -0.14 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2jyc s VAL 112 CO 0.40 0.47 0.61 1.07 0.00 0.00 0.00 175.10 177.65 2jyc n THR 113 N 2.78 0.00 -3.84 3.92 5.66 -1.26 -4.43 114.28 117.11 2jyc n THR 113 Ca -0.12 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.68 2jyc n THR 113 Cb 0.52 0.75 -0.17 0.00 -1.55 0.00 0.00 70.33 69.88 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 1.05 0.02 1.09 1.11 -1.26 -0.02 116.67 118.36 2jyc s ASP 114 Ca 0.00 -0.04 0.02 0.00 0.18 0.00 0.00 52.55 52.71 2jyc s ASP 114 Cb 0.00 -0.31 -0.02 0.00 1.07 0.00 0.00 42.92 43.67 2jyc s ASP 114 CO 0.00 -0.16 -0.06 -0.76 1.18 0.00 0.00 175.17 175.36 2jyc s LEU 115 N 1.60 2.15 0.04 1.23 1.43 0.13 -0.41 118.68 124.85 2jyc s LEU 115 Ca -0.01 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 2jyc s LEU 115 Cb -0.13 -0.19 -0.02 0.00 0.03 0.00 0.00 46.19 45.88 2jyc s LEU 115 CO -0.03 -0.10 -0.09 -0.94 0.23 0.00 0.00 176.35 175.43 2jyc s SER 116 N -0.97 0.97 -0.04 2.29 1.04 0.22 0.69 113.70 117.91 2jyc s SER 116 Ca -0.05 -0.46 -0.27 0.00 0.48 0.00 0.00 55.95 55.65 2jyc s SER 116 Cb -0.07 -0.01 0.06 0.00 0.10 0.00 0.00 66.02 66.10 2jyc s SER 116 CO 0.00 -0.12 0.59 0.00 0.98 0.00 0.00 173.24 174.69 2jyc s MET 117 N -1.27 0.96 0.74 4.02 0.23 -0.38 -0.56 119.30 123.04 2jyc s MET 117 Ca -0.06 0.14 -0.11 0.00 -1.03 0.00 0.00 55.69 54.63 2jyc s MET 117 Cb -0.08 0.45 0.04 0.00 -1.53 0.00 0.00 34.83 33.70 2jyc s MET 117 CO 0.01 -0.30 1.08 -1.25 -2.03 0.00 0.00 175.02 172.53 2jyc s PRO 118 N -1.25 2.55 -0.65 3.16 0.04 -1.26 -0.14 135.00 137.46 2jyc s PRO 118 Ca -0.12 0.78 -0.29 0.00 0.04 0.00 0.00 61.00 61.41 2jyc s PRO 118 Cb -0.01 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.44 2jyc s PRO 118 CO 0.08 -1.33 2.49 -2.13 0.04 0.00 0.00 177.00 176.16 2jyc n ARG 119 N -3.26 0.68 0.00 4.56 0.63 -0.32 -4.74 116.66 114.21 2jyc n ARG 119 Ca 0.07 0.03 0.12 0.00 -0.92 0.00 0.00 57.85 57.15 2jyc n ARG 119 Cb 0.55 -2.63 0.17 0.00 0.45 0.00 0.00 32.46 31.00 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 7.73 0.00 -2.49 5.15 -0.00 -1.26 -4.92 119.36 123.57 2jyc n ILE 120 Ca 0.48 -0.00 0.00 0.00 -0.00 0.00 0.00 62.75 63.22 2jyc n ILE 120 Cb 0.32 0.42 0.00 0.00 -0.00 0.00 0.00 39.64 40.38 2jyc n ILE 120 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2jyc n GLY 121 N 1.50 3.13 2.58 3.28 0.00 -1.26 -4.98 105.19 109.43 2jyc n GLY 121 Ca 0.05 -2.07 -0.03 0.00 0.00 0.00 0.00 46.02 43.98 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 1.20 -0.73 3.86 0.00 0.00 -1.26 -5.13 105.19 103.14 2jyc n GLY 123 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 4.33 -0.12 0.99 2.01 -1.26 -5.02 118.68 119.61 2jyc s LEU 124 Ca 0.00 0.84 -0.09 0.00 0.01 0.00 0.00 54.13 54.89 2jyc s LEU 124 Cb 0.00 -3.09 -0.08 0.00 0.01 0.00 0.00 46.19 43.04 2jyc s LEU 124 CO 0.00 0.14 0.20 -0.78 1.01 0.00 0.00 176.35 176.93 2jyc h ASP 125 N 3.59 0.00 0.60 2.29 1.82 -2.01 -3.39 116.42 119.32 2jyc h ASP 125 Ca -0.49 -0.29 -0.27 0.00 -0.39 0.00 0.00 57.03 55.59 2jyc h ASP 125 Cb 1.19 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.21 2jyc h ASP 125 CO 0.67 0.68 -1.24 0.03 -1.61 0.00 0.00 179.24 177.77 2jyc h ARG 126 N -1.00 0.29 -6.59 0.28 -0.00 -1.98 -3.45 114.38 101.93 2jyc h ARG 126 Ca -0.01 -0.49 -0.51 0.00 -0.50 0.00 0.00 59.98 58.47 2jyc h ARG 126 Cb 0.34 0.18 -0.03 0.00 0.00 0.00 0.00 29.97 30.46 2jyc h ARG 126 CO -0.01 1.23 0.10 -0.51 0.00 0.00 0.00 179.97 180.78 2jyc s LEU 127 N -7.21 4.29 0.09 3.04 1.02 -1.26 -5.07 118.68 113.58 2jyc s LEU 127 Ca -0.04 1.38 0.07 0.00 0.02 0.00 0.00 54.13 55.55 2jyc s LEU 127 Cb 0.07 -3.67 -0.03 0.00 0.02 0.00 0.00 46.19 42.57 2jyc s LEU 127 CO 0.89 -0.01 -0.18 -1.10 0.02 0.00 0.00 176.35 175.96 2jyc s GLN 128 N -2.17 1.00 0.45 1.70 -0.21 -1.26 -4.40 119.66 114.75 2jyc s GLN 128 Ca 0.45 -1.07 0.17 0.00 0.02 0.00 0.00 55.36 54.93 2jyc s GLN 128 Cb -0.15 -1.15 1.04 0.00 1.00 0.00 0.00 33.01 33.74 2jyc s GLN 128 CO 0.20 0.26 1.97 2.35 -2.12 0.00 0.00 175.29 177.95 2jyc h TRP 129 N 4.18 0.00 -0.92 0.91 2.91 -1.97 -1.21 115.95 119.85 2jyc h TRP 129 Ca -0.44 0.00 0.15 0.00 1.13 0.00 0.00 58.89 59.73 2jyc h TRP 129 Cb 1.18 0.00 -0.09 0.00 -0.51 0.00 0.00 29.16 29.74 2jyc h TRP 129 CO 0.62 0.22 0.53 0.93 -1.03 0.00 0.00 178.44 179.70 2jyc h GLU 130 N 0.00 0.73 0.13 2.65 5.08 -2.00 0.21 114.58 121.38 2jyc h GLU 130 Ca -0.00 -0.04 -0.26 0.00 -1.00 0.00 0.00 59.36 58.05 2jyc h GLU 130 Cb 0.42 -0.16 0.03 0.00 0.50 0.00 0.00 28.75 29.53 2jyc h GLU 130 CO 0.03 0.48 -1.11 -0.91 -1.00 0.00 0.00 179.01 176.50 2jyc h ASN 131 N 0.75 0.75 0.38 1.42 2.35 -1.67 -3.22 115.58 116.34 2jyc h ASN 131 Ca 0.50 -0.86 -0.01 0.00 -0.55 0.00 0.00 56.30 55.38 2jyc h ASN 131 Cb 0.66 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 2jyc h ASN 131 CO -0.34 1.53 -0.23 0.58 -1.65 0.00 0.00 177.43 177.33 2jyc h VAL 132 N 0.08 0.53 -0.38 2.81 2.07 -0.45 -1.03 116.25 119.88 2jyc h VAL 132 Ca -0.18 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.40 2jyc h VAL 132 Cb 1.82 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 2jyc h VAL 132 CO 0.21 0.00 0.09 0.77 0.02 0.00 0.00 177.57 178.67 2jyc h SER 133 N -0.58 0.05 0.00 0.57 4.64 -0.77 -0.08 113.55 117.38 2jyc h SER 133 Ca -0.04 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2jyc h SER 133 Cb 0.47 0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2jyc h SER 133 CO 0.05 0.06 -0.01 0.00 -0.87 0.00 0.00 176.83 176.06 2jyc h ALA 134 N 1.27 -0.02 -0.74 5.18 0.00 -1.54 -2.29 119.26 121.12 2jyc h ALA 134 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.17 2jyc h ALA 134 Cb 0.20 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 2jyc h ALA 134 CO -0.22 -0.51 0.40 1.98 0.00 0.00 0.00 179.25 180.90 2jyc h MET 135 N -0.03 0.68 -0.35 0.00 -1.53 -0.74 0.13 114.93 113.09 2jyc h MET 135 Ca 0.01 -0.04 0.02 0.00 -3.44 0.00 0.00 59.70 56.24 2jyc h MET 135 Cb 0.03 -0.15 -0.03 0.00 -0.55 0.00 0.00 31.60 30.90 2jyc h MET 135 CO -0.01 0.45 0.20 0.82 0.14 0.00 0.00 176.91 178.51 2jyc h ILE 136 N 0.70 1.02 -0.02 1.77 2.04 -0.73 0.24 117.51 122.54 2jyc h ILE 136 Ca 0.35 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.99 2jyc h ILE 136 Cb 0.30 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2jyc h ILE 136 CO -0.23 0.07 -0.40 -0.33 0.00 0.00 0.00 178.15 177.26 2jyc h GLU 137 N 0.40 0.04 -0.17 2.37 5.08 -0.78 -2.15 114.58 119.36 2jyc h GLU 137 Ca 0.14 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 2jyc h GLU 137 Cb 0.02 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2jyc h GLU 137 CO -0.08 0.43 -0.43 0.93 -1.00 0.00 0.00 179.01 178.87 2jyc h GLU 138 N 0.03 0.59 -0.02 2.33 5.08 0.14 0.44 114.58 123.18 2jyc h GLU 138 Ca 0.00 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2jyc h GLU 138 Cb 0.72 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 2jyc h GLU 138 CO 0.05 1.03 0.01 0.28 -1.00 0.00 0.00 179.01 179.38 2jyc h VAL 139 N 0.25 1.05 0.00 3.13 2.07 -0.35 -3.27 116.25 119.13 2jyc h VAL 139 Ca -0.01 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2jyc h VAL 139 Cb 1.04 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2jyc h VAL 139 CO 0.09 0.04 -0.09 -0.26 0.02 0.00 0.00 177.57 177.37 2jyc h PHE 140 N -0.04 0.09 0.00 1.57 -1.00 -1.48 -3.46 116.94 112.62 2jyc h PHE 140 Ca 0.01 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.74 2jyc h PHE 140 Cb 0.06 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.61 2jyc h PHE 140 CO -0.06 0.87 0.00 -1.91 -1.61 0.00 0.00 178.31 175.61 2jyc n GLU 141 N -4.62 0.00 0.14 1.51 2.13 0.15 -0.37 120.64 119.57 2jyc n GLU 141 Ca -0.10 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.83 2jyc n GLU 141 Cb 0.44 0.00 0.05 0.00 0.27 0.00 0.00 31.44 32.20 2jyc n GLU 141 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jyc h ALA 142 N -0.05 0.67 -1.94 4.31 0.00 -1.88 -3.44 119.26 116.93 2jyc h ALA 142 Ca 0.00 -0.08 -0.57 0.00 0.00 0.00 0.00 54.91 54.26 2jyc h ALA 142 Cb 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2jyc h ALA 142 CO 0.00 0.09 1.01 0.95 0.00 0.00 0.00 179.25 181.30 2jyc s THR 143 N -3.27 4.04 -0.88 0.00 -4.23 0.50 -4.93 115.64 106.87 2jyc s THR 143 Ca 0.02 1.15 -0.22 0.00 -1.18 0.00 0.00 61.69 61.46 2jyc s THR 143 Cb 0.08 -4.10 0.08 0.00 1.34 0.00 0.00 72.50 69.91 2jyc s THR 143 CO 0.75 -0.49 1.20 -0.62 -0.54 0.00 0.00 174.62 174.92 2jyc s ASP 144 N 3.19 6.44 -0.07 3.99 2.15 -1.26 -4.86 116.67 126.26 2jyc s ASP 144 Ca 0.59 -1.48 0.01 0.00 0.43 0.00 0.00 52.55 52.11 2jyc s ASP 144 Cb -0.17 -2.47 0.02 0.00 -0.30 0.00 0.00 42.92 39.99 2jyc s ASP 144 CO 0.25 -1.35 -0.09 -0.63 -0.17 0.00 0.00 175.17 173.18 2jyc s ILE 145 N 3.96 0.95 0.02 4.11 1.01 -1.26 -4.75 121.20 125.23 2jyc s ILE 145 Ca 0.34 -0.35 -0.19 0.00 0.00 0.00 0.00 60.65 60.46 2jyc s ILE 145 Cb -0.06 -0.91 -0.06 0.00 0.01 0.00 0.00 42.46 41.44 2jyc s ILE 145 CO -0.03 0.32 0.54 -0.54 0.00 0.00 0.00 174.94 175.24 2jyc s LYS 146 N 0.90 4.21 -0.18 2.79 -0.14 0.96 -4.87 119.74 123.41 2jyc s LYS 146 Ca -0.11 0.66 0.01 0.00 -1.36 0.00 0.00 55.97 55.17 2jyc s LYS 146 Cb -0.15 -3.29 0.02 0.00 -1.68 0.00 0.00 37.83 32.73 2jyc s LYS 146 CO 0.01 0.51 -0.18 0.42 -0.76 0.00 0.00 175.35 175.35 2jyc s ILE 147 N -0.62 1.97 -0.33 2.17 1.01 0.48 0.22 121.20 126.10 2jyc s ILE 147 Ca 0.28 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 2jyc s ILE 147 Cb -0.18 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 2jyc s ILE 147 CO 0.17 0.47 0.21 -0.89 0.00 0.00 0.00 174.94 174.90 2jyc s THR 148 N 1.31 5.08 -0.31 2.92 2.01 0.22 -0.03 115.64 126.84 2jyc s THR 148 Ca 0.04 -0.27 -0.12 0.00 0.31 0.00 0.00 61.69 61.64 2jyc s THR 148 Cb -0.14 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 2jyc s THR 148 CO -0.12 0.01 0.22 -0.69 -0.69 0.00 0.00 174.62 173.36 2jyc s VAL 149 N 1.69 5.29 -0.25 3.82 1.01 0.12 -1.25 120.40 130.83 2jyc s VAL 149 Ca 0.06 -0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 2jyc s VAL 149 Cb -0.17 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2jyc s VAL 149 CO 0.09 0.11 0.48 -0.31 0.00 0.00 0.00 175.10 175.48 2jyc s TYR 150 N 1.75 3.29 -0.27 5.22 2.02 0.81 -0.89 117.35 129.27 2jyc s TYR 150 Ca 0.07 0.62 -0.20 0.00 -0.37 0.00 0.00 57.07 57.19 2jyc s TYR 150 Cb -0.17 -2.67 -0.02 0.00 -0.40 0.00 0.00 41.96 38.70 2jyc s TYR 150 CO 0.11 -0.23 0.59 0.95 -1.57 0.00 0.00 175.55 175.40 2jyc s THR 151 N 2.10 5.00 0.00 -0.71 -4.23 -0.21 -1.18 115.64 116.41 2jyc s THR 151 Ca 0.20 0.97 0.00 0.00 -1.18 0.00 0.00 61.69 61.68 2jyc s THR 151 Cb -0.16 -3.92 0.00 0.00 1.34 0.00 0.00 72.50 69.76 2jyc s THR 151 CO 0.09 -0.00 0.00 -0.11 -0.54 0.00 0.00 174.62 174.06