#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 -1.75 -0.36 0.62 0.00 -1.26 -5.12 121.76 113.89 2jyc s ALA 2 Ca 0.00 2.13 0.06 0.00 0.00 0.00 0.00 51.96 54.15 2jyc s ALA 2 Cb 0.00 -1.25 0.18 0.00 0.00 0.00 0.00 23.12 22.05 2jyc s ALA 2 CO 0.00 -0.35 0.55 -1.12 0.00 0.00 0.00 175.76 174.85 2jyc s SER 3 N 0.93 -0.90 -0.11 0.00 0.01 -1.26 -5.02 113.70 107.35 2jyc s SER 3 Ca -0.04 -0.61 0.07 0.00 1.31 0.00 0.00 55.95 56.68 2jyc s SER 3 Cb -0.05 1.66 -0.12 0.00 0.21 0.00 0.00 66.02 67.71 2jyc s SER 3 CO -0.08 -0.24 -0.00 -1.54 0.41 0.00 0.00 173.24 171.79 2jyc n SER 4 N 4.77 2.49 -4.15 2.44 3.41 -1.26 -4.82 113.62 116.50 2jyc n SER 4 Ca 0.08 -0.02 -0.38 0.00 -0.26 0.00 0.00 58.87 58.29 2jyc n SER 4 Cb 0.53 0.52 -0.07 0.00 -0.26 0.00 0.00 64.21 64.94 2jyc n SER 4 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2jyc s LEU 5 N -5.04 5.64 0.00 1.04 2.96 -1.26 -4.67 118.68 117.34 2jyc s LEU 5 Ca -0.09 -3.22 0.15 0.00 -0.22 0.00 0.00 54.13 50.75 2jyc s LEU 5 Cb 0.04 -1.95 0.12 0.00 0.50 0.00 0.00 46.19 44.90 2jyc s LEU 5 CO 0.41 -0.32 0.97 -3.20 -1.32 0.00 0.00 176.35 172.89 2jyc n ASN 6 N 3.04 2.23 -5.00 3.68 5.15 -1.26 -4.97 115.26 118.14 2jyc n ASN 6 Ca 0.15 -1.61 -0.22 0.00 -0.60 0.00 0.00 54.58 52.29 2jyc n ASN 6 Cb 0.39 -0.01 0.05 0.00 -0.53 0.00 0.00 39.78 39.68 2jyc n ASN 6 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2jyc s GLU 7 N -1.21 2.23 0.06 1.20 -1.05 -1.26 -5.14 118.70 113.54 2jyc s GLU 7 Ca 0.17 -1.83 0.07 0.00 -0.15 0.00 0.00 54.97 53.24 2jyc s GLU 7 Cb 0.12 -2.44 -0.03 0.00 -0.44 0.00 0.00 34.13 31.34 2jyc s GLU 7 CO 0.18 -0.85 -0.19 -0.51 0.95 0.00 0.00 175.26 174.84 2jyc s ASP 8 N -4.58 2.31 0.67 0.83 1.01 -1.26 -5.13 116.67 110.53 2jyc s ASP 8 Ca 0.52 -0.57 -0.17 0.00 0.71 0.00 0.00 52.55 53.05 2jyc s ASP 8 Cb -0.04 -0.16 0.01 0.00 1.01 0.00 0.00 42.92 43.73 2jyc s ASP 8 CO 0.33 0.09 1.22 -2.16 0.21 0.00 0.00 175.17 174.86 2jyc s PRO 9 N -1.43 2.49 -0.30 8.23 0.04 -1.26 -5.02 135.00 137.76 2jyc s PRO 9 Ca 0.06 1.81 0.01 0.00 0.04 0.00 0.00 61.00 62.92 2jyc s PRO 9 Cb -0.09 -1.87 0.19 0.00 0.04 0.00 0.00 34.50 32.77 2jyc s PRO 9 CO 0.02 -1.57 0.61 -2.00 0.04 0.00 0.00 177.00 174.10 2jyc s GLU 10 N -3.66 0.55 0.00 4.56 2.12 -1.26 -5.09 118.70 115.92 2jyc s GLU 10 Ca 0.76 0.81 0.00 0.00 0.36 0.00 0.00 54.97 56.90 2jyc s GLU 10 Cb -0.30 0.43 0.00 0.00 0.26 0.00 0.00 34.13 34.51 2jyc s GLU 10 CO 0.40 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.76 2jyc n GLY 11 N 5.42 -0.55 0.00 -1.50 0.00 -1.26 -4.74 105.19 102.56 2jyc n GLY 11 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 0.00 0.00 1.61 2.88 -1.26 -4.83 113.62 112.02 2jyc n SER 12 Ca 0.00 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 2jyc n SER 12 Cb 0.00 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 2jyc n SER 12 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jyc n ARG 13 N -1.92 0.00 -3.06 -1.46 5.12 -1.26 -4.98 116.66 109.10 2jyc n ARG 13 Ca 0.00 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.53 2jyc n ARG 13 Cb 0.00 -0.51 -0.05 0.00 -1.16 0.00 0.00 32.46 30.74 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 -1.99 4.80 -0.05 0.55 1.01 -1.26 -0.57 121.20 123.70 2jyc s ILE 14 Ca 0.00 1.49 0.04 0.00 0.00 0.00 0.00 60.65 62.18 2jyc s ILE 14 Cb 0.00 -4.05 -0.00 0.00 0.01 0.00 0.00 42.46 38.42 2jyc s ILE 14 CO 0.00 0.38 -0.17 -0.89 0.00 0.00 0.00 174.94 174.26 2jyc s THR 15 N -0.07 1.46 -0.14 2.92 2.01 0.20 -4.39 115.64 117.63 2jyc s THR 15 Ca 0.36 -0.72 -0.13 0.00 0.31 0.00 0.00 61.69 61.50 2jyc s THR 15 Cb -0.20 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.01 2jyc s THR 15 CO 0.21 0.42 0.29 -0.31 -0.69 0.00 0.00 174.62 174.54 2jyc s TYR 16 N 0.11 3.49 -0.02 4.92 2.02 -1.26 -0.25 117.35 126.36 2jyc s TYR 16 Ca -0.06 0.63 0.03 0.00 -0.37 0.00 0.00 57.07 57.30 2jyc s TYR 16 Cb -0.12 -2.31 -0.00 0.00 -0.40 0.00 0.00 41.96 39.12 2jyc s TYR 16 CO 0.03 0.30 -0.10 0.08 -1.57 0.00 0.00 175.55 174.29 2jyc s VAL 17 N 0.24 0.84 -0.28 0.71 1.01 0.11 -4.93 120.40 118.11 2jyc s VAL 17 Ca 0.17 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 2jyc s VAL 17 Cb -0.13 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 2jyc s VAL 17 CO 0.05 0.25 0.20 -1.59 0.00 0.00 0.00 175.10 174.01 2jyc s LYS 18 N 0.05 3.97 0.00 2.72 -2.85 -1.26 -0.83 119.74 121.53 2jyc s LYS 18 Ca -0.01 -0.29 0.00 0.00 -1.00 0.00 0.00 55.97 54.67 2jyc s LYS 18 Cb -0.07 -3.65 0.00 0.00 -2.06 0.00 0.00 37.83 32.05 2jyc s LYS 18 CO 0.00 -0.17 0.00 0.41 0.10 0.00 0.00 175.35 175.70 2jyc n GLY 19 N 4.96 -1.13 3.88 0.59 0.00 -1.26 -4.94 105.19 107.30 2jyc n GLY 19 Ca -0.14 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 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 6.55 0.41 1.61 2.15 -1.26 -4.28 116.67 117.85 2jyc s ASP 20 Ca 0.00 0.66 0.22 0.00 0.43 0.00 0.00 52.55 53.86 2jyc s ASP 20 Cb 0.00 -2.12 0.61 0.00 -0.30 0.00 0.00 42.92 41.10 2jyc s ASP 20 CO 0.00 0.18 1.69 0.25 -0.17 0.00 0.00 175.17 177.12 2jyc h LEU 21 N 3.65 0.00 -0.25 -1.34 5.85 -1.93 -2.32 115.31 118.97 2jyc h LEU 21 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2jyc h LEU 21 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2jyc h LEU 21 CO 0.68 0.22 -0.07 0.49 -0.34 0.00 0.00 178.44 179.42 2jyc n PHE 22 N -3.24 0.00 0.53 1.25 3.72 -1.26 -3.03 117.46 115.43 2jyc n PHE 22 Ca 0.02 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.49 2jyc n PHE 22 Cb 0.52 -0.14 0.21 0.00 -0.94 0.00 0.00 39.48 39.13 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 -0.88 2.43 -1.91 4.37 0.00 -0.87 -4.94 120.51 118.72 2jyc n ALA 23 Ca 0.16 -0.81 -0.31 0.00 0.00 0.00 0.00 53.44 52.48 2jyc n ALA 23 Cb 0.26 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.75 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 -5.06 3.22 0.24 0.00 0.02 -1.26 -4.96 135.00 127.20 2jyc s PRO 25 Ca 0.55 1.24 0.25 0.00 0.02 0.00 0.00 61.00 63.05 2jyc s PRO 25 Cb -0.11 -2.02 0.92 0.00 0.02 0.00 0.00 34.50 33.32 2jyc s PRO 25 CO 0.52 -0.89 1.74 1.63 -0.33 0.00 0.00 177.00 179.66 2jyc n LYS 26 N -2.09 0.22 0.09 5.54 5.02 -1.26 -2.43 118.16 123.25 2jyc n LYS 26 Ca 0.09 0.34 0.13 0.00 -2.02 0.00 0.00 58.31 56.85 2jyc n LYS 26 Cb 0.53 -1.84 0.33 0.00 -0.02 0.00 0.00 35.03 34.02 2jyc n LYS 26 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2jyc n THR 27 N -2.24 0.50 -3.33 -0.18 5.66 -1.26 -4.31 114.28 109.12 2jyc n THR 27 Ca 0.03 -0.27 -0.39 0.00 -3.05 0.00 0.00 64.05 60.37 2jyc n THR 27 Cb 0.30 -0.42 -0.08 0.00 -1.55 0.00 0.00 70.33 68.58 2jyc n THR 27 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2jyc s ASP 28 N -4.38 6.33 1.03 1.09 1.11 -1.02 -4.67 116.67 116.16 2jyc s ASP 28 Ca 0.09 0.39 -0.15 0.00 0.18 0.00 0.00 52.55 53.06 2jyc s ASP 28 Cb 0.13 -2.24 0.21 0.00 1.07 0.00 0.00 42.92 42.08 2jyc s ASP 28 CO 0.64 -0.23 1.15 -0.44 1.18 0.00 0.00 175.17 177.47 2jyc s SER 29 N 1.60 2.44 -0.03 0.27 0.01 0.55 -4.73 113.70 113.81 2jyc s SER 29 Ca 0.18 0.79 -0.04 0.00 1.31 0.00 0.00 55.95 58.19 2jyc s SER 29 Cb -0.16 -1.19 0.01 0.00 0.21 0.00 0.00 66.02 64.89 2jyc s SER 29 CO 0.10 -3.20 0.10 -0.22 0.41 0.00 0.00 173.24 170.42 2jyc s LEU 30 N -6.38 1.65 0.06 2.44 0.20 -0.80 0.71 118.68 116.55 2jyc s LEU 30 Ca 0.68 0.12 0.02 0.00 0.69 0.00 0.00 54.13 55.64 2jyc s LEU 30 Cb -0.12 0.36 -0.03 0.00 -0.43 0.00 0.00 46.19 45.97 2jyc s LEU 30 CO 0.55 -0.09 -0.08 0.00 -0.29 0.00 0.00 176.35 176.44 2jyc s ALA 31 N -0.19 0.71 0.10 5.97 0.00 0.16 0.48 121.76 129.00 2jyc s ALA 31 Ca -0.03 -0.91 -0.27 0.00 0.00 0.00 0.00 51.96 50.76 2jyc s ALA 31 Cb -0.02 0.05 0.08 0.00 0.00 0.00 0.00 23.12 23.23 2jyc s ALA 31 CO 0.00 -0.05 1.02 -3.38 0.00 0.00 0.00 175.76 173.36 2jyc s HIS 32 N -1.83 -0.13 0.12 0.00 -3.43 -0.03 -4.19 115.29 105.81 2jyc s HIS 32 Ca -0.05 -0.11 0.01 0.00 -0.80 0.00 0.00 55.06 54.11 2jyc s HIS 32 Cb -0.07 0.61 -0.04 0.00 -1.43 0.00 0.00 32.58 31.65 2jyc s HIS 32 CO -0.00 -0.68 0.26 0.00 -2.00 0.00 0.00 174.74 172.32 2jyc s ILE 34 N -1.66 0.00 0.06 0.00 -4.36 0.62 -4.82 121.20 111.04 2jyc s ILE 34 Ca 0.35 -1.72 0.02 0.00 -0.26 0.00 0.00 60.65 59.03 2jyc s ILE 34 Cb -0.12 -2.37 -0.04 0.00 1.25 0.00 0.00 42.46 41.18 2jyc s ILE 34 CO 0.28 0.00 0.10 -0.44 0.24 0.00 0.00 174.94 175.12 2jyc s SER 35 N -3.10 5.69 0.01 4.36 0.01 -1.26 -1.25 113.70 118.16 2jyc s SER 35 Ca 0.31 0.07 0.13 0.00 1.31 0.00 0.00 55.95 57.77 2jyc s SER 35 Cb 0.03 -1.59 0.56 0.00 0.21 0.00 0.00 66.02 65.23 2jyc s SER 35 CO 0.11 0.20 1.42 -1.84 0.41 0.00 0.00 173.24 173.54 2jyc n GLU 36 N 0.62 0.01 -0.01 12.44 -0.00 0.19 -1.52 120.64 132.36 2jyc n GLU 36 Ca -0.09 0.29 0.14 0.00 -0.00 0.00 0.00 57.16 57.49 2jyc n GLU 36 Cb 0.52 -1.51 0.68 0.00 -0.00 0.00 0.00 31.44 31.13 2jyc n GLU 36 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2jyc n ASP 37 N -1.52 0.68 0.00 -1.84 -0.08 -0.38 -4.91 116.55 108.50 2jyc n ASP 37 Ca 0.03 -1.31 0.00 0.00 -1.51 0.00 0.00 54.79 52.00 2jyc n ASP 37 Cb 0.15 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.60 2jyc n ASP 37 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jyc h ARG 39 N 0.00 -0.29 0.00 0.00 3.08 -1.89 -3.46 114.38 111.82 2jyc h ARG 39 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2jyc h ARG 39 Cb 0.41 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2jyc h ARG 39 CO 0.00 0.08 0.00 -1.33 -1.07 0.00 0.00 179.97 177.65 2jyc n MET 40 N -4.98 0.00 0.00 0.04 2.81 -1.26 -4.75 117.12 108.98 2jyc n MET 40 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 2jyc n MET 40 Cb 0.25 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.76 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 2.95 3.50 3.03 0.00 -1.26 -4.78 105.19 108.63 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 -0.98 0.19 0.00 4.61 0.00 -1.26 -5.00 121.76 119.31 2jyc s ALA 42 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.82 2jyc s ALA 42 Cb 0.00 1.15 0.00 0.00 0.00 0.00 0.00 23.12 24.27 2jyc s ALA 42 CO 0.00 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.38 2jyc n GLY 43 N -0.38 -0.85 0.21 0.00 0.00 -1.26 -4.28 105.19 98.62 2jyc n GLY 43 Ca -0.01 -1.69 0.15 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 -0.05 -0.61 2.10 -2.01 -2.28 117.51 114.66 2jyc h ILE 44 Ca 0.00 -0.12 -0.08 0.00 1.08 0.00 0.00 64.86 65.75 2jyc h ILE 44 Cb 0.00 0.83 -0.01 0.00 -1.09 0.00 0.00 36.82 36.55 2jyc h ILE 44 CO 0.00 0.00 -0.34 0.00 -1.08 0.00 0.00 178.15 176.73 2jyc h ALA 45 N 2.06 1.35 -0.43 0.18 0.00 -1.89 -2.00 119.26 118.53 2jyc h ALA 45 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2jyc h ALA 45 Cb 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2jyc h ALA 45 CO 0.00 0.47 -0.12 0.28 0.00 0.00 0.00 179.25 179.88 2jyc h VAL 46 N 0.08 1.26 -0.65 0.00 2.07 -1.59 -0.13 116.25 117.30 2jyc h VAL 46 Ca 0.01 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 2jyc h VAL 46 Cb 0.64 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 2jyc h VAL 46 CO 0.05 0.40 0.29 -0.07 0.02 0.00 0.00 177.57 178.26 2jyc h LEU 47 N 0.70 0.87 -0.31 2.57 3.38 -1.52 -2.42 115.31 118.59 2jyc h LEU 47 Ca 0.12 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2jyc h LEU 47 Cb 0.60 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2jyc h LEU 47 CO 0.04 0.78 -0.25 -0.26 0.09 0.00 0.00 178.44 178.84 2jyc h PHE 48 N 0.90 0.85 -0.02 1.13 -1.00 -0.95 -2.04 116.94 115.81 2jyc h PHE 48 Ca 0.22 -0.24 -0.06 0.00 2.81 0.00 0.00 57.97 60.70 2jyc h PHE 48 Cb 0.16 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 2jyc h PHE 48 CO 0.01 0.98 -0.25 1.57 -1.61 0.00 0.00 178.31 179.00 2jyc h LYS 49 N 0.47 0.02 -0.05 1.51 5.09 -0.90 0.71 116.57 123.43 2jyc h LYS 49 Ca 0.06 -0.01 -0.10 0.00 0.09 0.00 0.00 60.65 60.69 2jyc h LYS 49 Cb 0.81 -0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.14 2jyc h LYS 49 CO 0.06 0.28 -0.35 0.87 -2.09 0.00 0.00 179.45 178.22 2jyc h LYS 50 N 0.02 0.33 0.10 0.07 1.57 -1.40 -2.71 116.57 114.55 2jyc h LYS 50 Ca 0.00 -0.29 -0.20 0.00 -1.87 0.00 0.00 60.65 58.30 2jyc h LYS 50 Cb 0.46 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2jyc h LYS 50 CO 0.03 0.94 -0.98 0.87 -0.57 0.00 0.00 179.45 179.75 2jyc h LYS 51 N -0.18 0.20 0.00 3.15 1.57 -0.92 -3.39 116.57 117.00 2jyc h LYS 51 Ca -0.03 -0.34 -0.11 0.00 -1.87 0.00 0.00 60.65 58.29 2jyc h LYS 51 Cb 1.02 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 2jyc h LYS 51 CO 0.07 1.16 -2.03 1.19 -0.57 0.00 0.00 179.45 179.27 2jyc n PHE 52 N -4.15 0.00 -2.01 -1.35 3.01 0.24 -5.05 117.46 108.15 2jyc n PHE 52 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.26 2jyc n PHE 52 Cb 0.79 -0.61 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 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 1.54 2.64 1.80 1.37 0.00 -0.45 -4.91 105.19 107.18 2jyc n GLY 53 Ca -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.57 0.12 -0.02 0.00 -1.26 -4.42 105.19 100.18 2jyc n GLY 54 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.74 -0.51 1.61 2.07 -1.90 0.28 116.25 118.53 2jyc h VAL 55 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 2jyc h VAL 55 Cb 0.00 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2jyc h VAL 55 CO 0.00 0.00 -0.17 1.56 0.02 0.00 0.00 177.57 178.98 2jyc h GLN 56 N -0.00 1.02 -0.83 1.57 7.50 -1.99 -2.50 115.11 119.89 2jyc h GLN 56 Ca 0.12 -0.41 0.06 0.00 0.50 0.00 0.00 58.65 58.92 2jyc h GLN 56 Cb 0.19 -0.05 -0.05 0.00 0.05 0.00 0.00 27.48 27.62 2jyc h GLN 56 CO -0.27 1.10 0.54 0.93 -1.50 0.00 0.00 178.83 179.63 2jyc h GLU 57 N 0.89 0.91 -0.09 1.46 5.08 -1.63 0.55 114.58 121.76 2jyc h GLU 57 Ca 0.12 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2jyc h GLU 57 Cb 0.75 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2jyc h GLU 57 CO 0.06 0.60 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.58 2jyc h LEU 58 N 0.94 0.17 -0.61 1.33 3.38 -0.33 -2.54 115.31 117.65 2jyc h LEU 58 Ca 0.35 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 2jyc h LEU 58 Cb 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2jyc h LEU 58 CO -0.12 0.50 -0.37 -0.07 0.09 0.00 0.00 178.44 178.48 2jyc h LEU 59 N -0.17 0.73 -1.92 1.67 3.38 -0.91 -2.63 115.31 115.47 2jyc h LEU 59 Ca 0.02 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 2jyc h LEU 59 Cb 0.43 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2jyc h LEU 59 CO 0.01 1.02 -0.11 0.78 0.09 0.00 0.00 178.44 180.23 2jyc h ASN 60 N 0.58 0.00 0.99 -0.43 2.35 0.07 -0.03 115.58 119.10 2jyc h ASN 60 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2jyc h ASN 60 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.26 2jyc h ASN 60 CO 0.08 0.11 0.00 0.00 -1.65 0.00 0.00 177.43 175.97 2jyc n GLN 61 N -4.06 0.06 -3.33 0.81 6.02 -0.96 -4.98 117.38 110.93 2jyc n GLN 61 Ca -0.02 0.10 -0.29 0.00 -0.01 0.00 0.00 57.00 56.78 2jyc n GLN 61 Cb 0.19 -1.57 0.03 0.00 1.02 0.00 0.00 30.24 29.91 2jyc n GLN 61 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jyc n GLN 62 N -1.68 -1.92 -5.07 -1.09 6.02 -0.03 -5.01 117.38 108.60 2jyc n GLN 62 Ca 0.06 1.54 -0.29 0.00 -0.01 0.00 0.00 57.00 58.30 2jyc n GLN 62 Cb 0.32 -2.74 -0.15 0.00 1.02 0.00 0.00 30.24 28.69 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 -2.33 1.87 0.43 -1.09 -0.14 -1.26 -5.08 119.74 112.14 2jyc s LYS 63 Ca 0.32 -0.94 0.04 0.00 -1.36 0.00 0.00 55.97 54.02 2jyc s LYS 63 Cb -0.04 -1.89 -0.04 0.00 -1.68 0.00 0.00 37.83 34.18 2jyc s LYS 63 CO 0.78 0.51 0.04 0.15 -0.76 0.00 0.00 175.35 176.06 2jyc s LYS 64 N -0.82 1.99 -0.46 1.68 -0.14 -1.26 -4.80 119.74 115.94 2jyc s LYS 64 Ca 0.10 -2.20 -0.42 0.00 -1.36 0.00 0.00 55.97 52.09 2jyc s LYS 64 Cb -0.09 -1.29 -0.17 0.00 -1.68 0.00 0.00 37.83 34.60 2jyc s LYS 64 CO 0.00 -0.27 2.12 0.43 -0.76 0.00 0.00 175.35 176.87 2jyc n SER 65 N -1.09 1.17 0.00 2.83 7.64 -1.25 0.27 113.62 123.18 2jyc n SER 65 Ca -0.10 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.43 2jyc n SER 65 Cb 0.67 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2jyc n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jyc n GLY 66 N 7.01 0.60 3.55 0.23 0.00 -0.45 -4.97 105.19 111.16 2jyc n GLY 66 Ca 0.50 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.67 1.90 -0.06 1.61 2.02 0.14 -3.11 118.70 120.53 2jyc s GLU 67 Ca 0.00 -1.72 0.05 0.00 0.02 0.00 0.00 54.97 53.33 2jyc s GLU 67 Cb 0.00 -1.87 -0.01 0.00 0.10 0.00 0.00 34.13 32.35 2jyc s GLU 67 CO 0.00 0.28 -0.22 0.54 0.02 0.00 0.00 175.26 175.87 2jyc s VAL 68 N -2.49 1.85 -0.02 2.63 0.11 -1.26 -1.56 120.40 119.67 2jyc s VAL 68 Ca 0.32 -0.95 -0.05 0.00 -2.93 0.00 0.00 61.98 58.37 2jyc s VAL 68 Cb -0.03 -1.58 -0.04 0.00 -1.53 0.00 0.00 36.38 33.20 2jyc s VAL 68 CO 0.17 0.52 0.21 0.00 -3.33 0.00 0.00 175.10 172.67 2jyc s ALA 69 N -0.07 3.91 0.03 1.54 0.00 0.14 -4.93 121.76 122.38 2jyc s ALA 69 Ca -0.05 -0.68 0.06 0.00 0.00 0.00 0.00 51.96 51.29 2jyc s ALA 69 Cb -0.13 -1.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 2jyc s ALA 69 CO 0.04 0.70 -0.17 0.08 0.00 0.00 0.00 175.76 176.40 2jyc s VAL 70 N -1.28 1.37 -0.00 0.00 1.01 -1.26 -0.43 120.40 119.81 2jyc s VAL 70 Ca 0.26 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.28 2jyc s VAL 70 Cb -0.13 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 2jyc s VAL 70 CO 0.16 0.17 -0.15 -0.76 0.00 0.00 0.00 175.10 174.52 2jyc s LEU 71 N -0.97 2.05 -0.23 3.92 1.43 -0.29 -4.86 118.68 119.73 2jyc s LEU 71 Ca 0.05 -0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 2jyc s LEU 71 Cb -0.08 -0.74 -0.02 0.00 0.03 0.00 0.00 46.19 45.38 2jyc s LEU 71 CO 0.01 0.16 0.02 -0.75 0.23 0.00 0.00 176.35 176.02 2jyc s LYS 72 N -0.45 3.57 -0.04 1.70 2.20 -1.26 0.51 119.74 125.96 2jyc s LYS 72 Ca 0.05 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.13 2jyc s LYS 72 Cb -0.06 -3.16 0.03 0.00 -1.51 0.00 0.00 37.83 33.13 2jyc s LYS 72 CO -0.00 -0.12 -0.01 0.50 -0.36 0.00 0.00 175.35 175.35 2jyc s ARG 73 N 1.38 0.49 0.00 4.03 3.00 -0.02 -4.84 118.95 122.99 2jyc s ARG 73 Ca 0.05 0.05 0.00 0.00 -1.00 0.00 0.00 55.73 54.83 2jyc s ARG 73 Cb -0.15 -0.69 0.00 0.00 0.00 0.00 0.00 34.95 34.12 2jyc s ARG 73 CO 0.01 -0.17 0.00 -0.25 0.00 0.00 0.00 175.30 174.89 2jyc n ASP 74 N 4.39 0.00 0.00 -2.12 8.00 -1.26 -1.21 116.55 124.35 2jyc n ASP 74 Ca -0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.29 2jyc n ASP 74 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 2jyc n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jyc n GLY 75 N 0.00 0.00 3.92 0.44 0.00 -1.26 -5.15 105.19 103.14 2jyc n GLY 75 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 2.98 -0.16 1.61 1.70 -0.35 -5.05 118.95 119.67 2jyc s ARG 76 Ca 0.00 -1.10 -0.05 0.00 -0.47 0.00 0.00 55.73 54.11 2jyc s ARG 76 Cb 0.00 -2.67 -0.03 0.00 -0.57 0.00 0.00 34.95 31.68 2jyc s ARG 76 CO 0.00 0.14 -0.00 0.71 -1.08 0.00 0.00 175.30 175.07 2jyc s TYR 77 N -2.20 3.11 -0.25 5.89 2.02 -1.26 -0.84 117.35 123.82 2jyc s TYR 77 Ca 0.41 -0.15 -0.11 0.00 -0.37 0.00 0.00 57.07 56.85 2jyc s TYR 77 Cb -0.08 -1.99 -0.05 0.00 -0.40 0.00 0.00 41.96 39.44 2jyc s TYR 77 CO 0.28 0.05 0.17 0.42 -1.57 0.00 0.00 175.55 174.90 2jyc s ILE 78 N 0.30 5.33 -0.17 2.71 -1.09 0.18 -1.91 121.20 126.55 2jyc s ILE 78 Ca -0.01 0.17 -0.07 0.00 -2.23 0.00 0.00 60.65 58.51 2jyc s ILE 78 Cb -0.13 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 2jyc s ILE 78 CO 0.02 0.32 0.07 -0.31 -1.23 0.00 0.00 174.94 173.81 2jyc s TYR 79 N 1.25 3.28 -0.40 3.97 2.02 0.18 -1.13 117.35 126.51 2jyc s TYR 79 Ca 0.07 0.13 0.02 0.00 -0.37 0.00 0.00 57.07 56.92 2jyc s TYR 79 Cb -0.14 -2.06 0.11 0.00 -0.40 0.00 0.00 41.96 39.47 2jyc s TYR 79 CO 0.06 0.23 0.15 0.71 -1.57 0.00 0.00 175.55 175.13 2jyc s TYR 80 N 0.19 3.61 -0.14 2.71 1.51 0.43 -0.85 117.35 124.81 2jyc s TYR 80 Ca 0.05 -2.84 -0.29 0.00 -1.01 0.00 0.00 57.07 52.98 2jyc s TYR 80 Cb -0.12 -3.02 -0.02 0.00 -0.11 0.00 0.00 41.96 38.68 2jyc s TYR 80 CO 0.00 -0.92 1.35 -0.51 -1.11 0.00 0.00 175.55 174.36 2jyc s LEU 81 N 0.74 4.20 -0.45 -1.29 2.01 -0.11 -0.69 118.68 123.11 2jyc s LEU 81 Ca 0.11 1.80 -0.25 0.00 0.01 0.00 0.00 54.13 55.80 2jyc s LEU 81 Cb -0.21 -3.54 0.02 0.00 0.01 0.00 0.00 46.19 42.48 2jyc s LEU 81 CO -0.05 -0.81 0.90 -0.63 1.01 0.00 0.00 176.35 176.77 2jyc s ILE 82 N 3.65 4.52 -0.13 -0.59 -1.09 -0.60 -0.27 121.20 126.69 2jyc s ILE 82 Ca 0.59 0.75 -0.10 0.00 -2.23 0.00 0.00 60.65 59.66 2jyc s ILE 82 Cb -0.24 -4.40 -0.07 0.00 -1.58 0.00 0.00 42.46 36.17 2jyc s ILE 82 CO 0.18 -0.77 0.12 0.71 -1.23 0.00 0.00 174.94 173.95 2jyc h THR 83 N 6.02 0.42 -2.90 2.92 1.35 -1.49 -1.19 112.91 118.05 2jyc h THR 83 Ca -0.24 -1.37 -0.12 0.00 -0.55 0.00 0.00 66.41 64.13 2jyc h THR 83 Cb 1.08 0.85 -0.03 0.00 -1.73 0.00 0.00 68.15 68.32 2jyc h THR 83 CO 1.01 0.14 -0.04 0.29 -0.25 0.00 0.00 175.52 176.67 2jyc n LYS 84 N -4.67 0.37 0.03 4.72 4.76 -1.26 -4.46 118.16 117.65 2jyc n LYS 84 Ca -0.07 -1.31 -0.01 0.00 -2.87 0.00 0.00 58.31 54.05 2jyc n LYS 84 Cb 0.23 1.30 -0.01 0.00 -1.84 0.00 0.00 35.03 34.71 2jyc n LYS 84 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2jyc h LYS 85 N 0.00 -0.08 -6.80 1.97 3.64 -1.91 0.53 116.57 113.92 2jyc h LYS 85 Ca -0.13 0.01 -0.49 0.00 -1.27 0.00 0.00 60.65 58.76 2jyc h LYS 85 Cb 0.57 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 2jyc h LYS 85 CO 0.18 -0.05 0.11 1.03 -2.27 0.00 0.00 179.45 178.45 2jyc s ARG 86 N -2.07 3.89 0.49 1.90 1.81 -1.26 -1.24 118.95 122.46 2jyc s ARG 86 Ca -0.01 0.58 0.28 0.00 -1.72 0.00 0.00 55.73 54.86 2jyc s ARG 86 Cb 0.00 -2.40 1.03 0.00 -0.45 0.00 0.00 34.95 33.13 2jyc s ARG 86 CO 0.04 0.05 1.86 0.00 -0.68 0.00 0.00 175.30 176.57 2jyc h ALA 87 N 1.73 1.00 0.00 2.13 0.00 -1.89 -0.60 119.26 121.62 2jyc h ALA 87 Ca -0.47 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2jyc h ALA 87 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2jyc h ALA 87 CO 0.64 0.12 0.00 0.43 0.00 0.00 0.00 179.25 180.45 2jyc n SER 88 N -3.21 0.00 -4.79 0.00 7.64 -1.26 -4.67 113.62 107.33 2jyc n SER 88 Ca 0.01 -0.21 -0.38 0.00 1.01 0.00 0.00 58.87 59.30 2jyc n SER 88 Cb 0.39 -0.23 -0.06 0.00 -1.01 0.00 0.00 64.21 63.30 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 -2.47 3.65 -0.12 1.43 3.76 -0.24 -5.07 115.29 116.24 2jyc s HIS 89 Ca 0.27 0.95 -0.07 0.00 -0.15 0.00 0.00 55.06 56.06 2jyc s HIS 89 Cb 0.17 -2.38 -0.04 0.00 1.11 0.00 0.00 32.58 31.44 2jyc s HIS 89 CO 0.38 0.47 0.14 0.15 -0.85 0.00 0.00 174.74 175.03 2jyc s LYS 90 N -0.48 3.47 0.65 1.40 1.02 -1.26 -4.79 119.74 119.75 2jyc s LYS 90 Ca 0.24 -0.13 -0.14 0.00 0.02 0.00 0.00 55.97 55.96 2jyc s LYS 90 Cb -0.16 -3.20 -0.01 0.00 -0.52 0.00 0.00 37.83 33.94 2jyc s LYS 90 CO 0.12 0.76 1.07 -1.25 -0.92 0.00 0.00 175.35 175.13 2jyc s PRO 91 N -0.98 3.01 0.24 -1.68 0.04 -1.26 -4.94 135.00 129.44 2jyc s PRO 91 Ca 0.15 1.18 0.09 0.00 0.04 0.00 0.00 61.00 62.46 2jyc s PRO 91 Cb -0.12 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2jyc s PRO 91 CO 0.04 -1.05 -0.03 0.95 0.04 0.00 0.00 177.00 176.95 2jyc s THR 92 N -2.61 3.39 0.13 1.26 -4.23 -1.26 -4.46 115.64 107.86 2jyc s THR 92 Ca 0.63 -1.85 -0.17 0.00 -1.18 0.00 0.00 61.69 59.12 2jyc s THR 92 Cb -0.17 -2.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 2jyc s THR 92 CO 0.44 -0.31 1.73 1.88 -0.54 0.00 0.00 174.62 177.82 2jyc h TYR 93 N 2.14 0.49 -0.49 3.99 0.05 -1.98 0.52 116.97 121.69 2jyc h TYR 93 Ca -0.45 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.38 2jyc h TYR 93 Cb 1.24 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 38.77 2jyc h TYR 93 CO 0.68 0.39 0.19 1.49 -1.05 0.00 0.00 178.16 179.86 2jyc h GLU 94 N 0.44 0.37 -0.39 4.88 4.22 -1.99 0.14 114.58 122.25 2jyc h GLU 94 Ca 0.12 -0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.47 2jyc h GLU 94 Cb 0.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2jyc h GLU 94 CO -0.02 0.24 -0.03 -0.91 -2.18 0.00 0.00 179.01 176.11 2jyc h ASN 95 N 0.38 0.70 -0.28 1.04 -0.26 -1.90 -2.70 115.58 112.55 2jyc h ASN 95 Ca 0.23 -0.33 0.00 0.00 -0.56 0.00 0.00 56.30 55.64 2jyc h ASN 95 Cb 0.22 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 2jyc h ASN 95 CO -0.22 0.86 0.18 0.25 -1.06 0.00 0.00 177.43 177.44 2jyc h LEU 96 N 0.53 0.33 -0.35 1.61 5.85 -0.16 -1.62 115.31 121.50 2jyc h LEU 96 Ca 0.11 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.86 2jyc h LEU 96 Cb 0.52 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 2jyc h LEU 96 CO 0.03 0.26 0.00 1.56 -0.34 0.00 0.00 178.44 179.94 2jyc h GLN 97 N 0.37 0.10 -0.59 1.25 4.20 -0.70 -0.59 115.11 119.15 2jyc h GLN 97 Ca 0.10 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2jyc h GLN 97 Cb -0.02 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2jyc h GLN 97 CO -0.02 0.06 0.31 0.87 -0.67 0.00 0.00 178.83 179.39 2jyc h LYS 98 N 0.10 0.82 -0.27 1.46 1.57 -1.32 0.16 116.57 119.10 2jyc h LYS 98 Ca 0.17 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2jyc h LYS 98 Cb 0.23 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2jyc h LYS 98 CO -0.28 0.61 0.08 0.77 -0.57 0.00 0.00 179.45 180.06 2jyc h SER 99 N 0.83 0.39 -0.81 0.86 0.02 -0.26 -1.51 113.55 113.06 2jyc h SER 99 Ca 0.21 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2jyc h SER 99 Cb 0.04 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 2jyc h SER 99 CO -0.03 0.49 0.48 -0.07 -1.14 0.00 0.00 176.83 176.56 2jyc h LEU 100 N 0.27 0.98 -0.36 5.07 -0.00 -0.43 -0.57 115.31 120.29 2jyc h LEU 100 Ca 0.09 -0.07 0.07 0.00 -0.00 0.00 0.00 57.88 57.96 2jyc h LEU 100 Cb 0.24 -0.25 -0.06 0.00 -0.00 0.00 0.00 40.66 40.59 2jyc h LEU 100 CO -0.00 0.77 -0.03 -0.33 -0.00 0.00 0.00 178.44 178.85 2jyc h GLU 101 N 1.12 0.06 -0.09 1.13 4.39 -0.47 0.34 114.58 121.06 2jyc h GLU 101 Ca 0.29 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 2jyc h GLU 101 Cb -0.03 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2jyc h GLU 101 CO -0.05 0.04 0.05 0.00 -1.16 0.00 0.00 179.01 177.89 2jyc h ALA 102 N 1.33 0.11 -0.43 3.43 0.00 -0.93 -2.33 119.26 120.43 2jyc h ALA 102 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2jyc h ALA 102 Cb 0.25 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2jyc h ALA 102 CO -0.32 -0.37 0.22 1.98 0.00 0.00 0.00 179.25 180.76 2jyc h MET 103 N 0.08 0.62 -0.35 0.00 1.85 -0.60 -2.35 114.93 114.19 2jyc h MET 103 Ca 0.03 -0.09 -0.06 0.00 -0.61 0.00 0.00 59.70 58.97 2jyc h MET 103 Cb 0.04 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 31.93 2jyc h MET 103 CO -0.01 0.52 -0.05 1.57 -0.40 0.00 0.00 176.91 178.55 2jyc h LYS 104 N 0.56 0.57 -0.39 0.39 5.09 -0.32 -2.48 116.57 119.99 2jyc h LYS 104 Ca 0.15 -0.14 -0.02 0.00 0.09 0.00 0.00 60.65 60.73 2jyc h LYS 104 Cb 0.10 -0.07 -0.02 0.00 0.10 0.00 0.00 32.23 32.34 2jyc h LYS 104 CO -0.02 0.63 0.17 1.03 -2.09 0.00 0.00 179.45 179.17 2jyc h SER 105 N 0.53 0.53 -0.57 7.07 0.87 -0.94 -2.60 113.55 118.44 2jyc h SER 105 Ca 0.11 -0.15 -0.07 0.00 -1.23 0.00 0.00 61.79 60.44 2jyc h SER 105 Cb 0.42 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 2jyc h SER 105 CO 0.02 0.53 0.07 -0.74 -0.53 0.00 0.00 176.83 176.18 2jyc h HIS 106 N 0.49 1.03 -0.57 2.24 -0.00 -1.18 -2.50 115.15 114.66 2jyc h HIS 106 Ca 0.13 -0.15 0.06 0.00 -0.00 0.00 0.00 60.37 60.41 2jyc h HIS 106 Cb 0.16 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 27.25 2jyc h HIS 106 CO -0.01 0.91 0.38 0.00 -0.00 0.00 0.00 177.93 179.21 2jyc h LEU 108 N 0.56 0.73 -0.24 0.00 3.38 -1.08 0.24 115.31 118.90 2jyc h LEU 108 Ca 0.24 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2jyc h LEU 108 Cb 0.25 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2jyc h LEU 108 CO -0.07 0.89 0.00 0.11 0.09 0.00 0.00 178.44 179.46 2jyc h LYS 109 N 0.55 0.00 0.00 1.13 1.57 -0.95 -3.13 116.57 115.73 2jyc h LYS 109 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2jyc h LYS 109 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2jyc h LYS 109 CO 0.03 0.00 -1.39 0.09 -0.57 0.00 0.00 179.45 177.61 2jyc n ASN 110 N -2.45 1.80 -0.78 0.86 5.03 -0.73 -5.03 115.26 113.96 2jyc n ASN 110 Ca 0.04 -0.15 0.00 0.00 0.87 0.00 0.00 54.58 55.34 2jyc n ASN 110 Cb 0.40 1.47 0.00 0.00 -1.02 0.00 0.00 39.78 40.63 2jyc n ASN 110 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jyc n GLY 111 N 1.69 0.73 3.23 7.41 0.00 -0.13 -5.08 105.19 113.05 2jyc n GLY 111 Ca -0.01 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.44 2.75 0.00 1.61 1.01 0.65 -4.96 120.40 119.02 2jyc s VAL 112 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2jyc s VAL 112 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.18 2jyc s VAL 112 CO 0.00 0.49 0.14 0.35 0.00 0.00 0.00 175.10 176.08 2jyc n THR 113 N 4.55 0.00 -4.15 3.92 -2.24 -1.26 -4.57 114.28 110.53 2jyc n THR 113 Ca -0.19 -0.38 -0.30 0.00 -2.27 0.00 0.00 64.05 60.90 2jyc n THR 113 Cb 0.51 1.09 -0.16 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.49 2.72 -0.01 3.42 1.01 -1.26 0.39 116.67 122.46 2jyc s ASP 114 Ca 0.00 -0.50 -0.03 0.00 0.71 0.00 0.00 52.55 52.73 2jyc s ASP 114 Cb 0.00 -1.22 0.00 0.00 1.01 0.00 0.00 42.92 42.71 2jyc s ASP 114 CO 0.00 -0.03 0.06 -0.22 0.21 0.00 0.00 175.17 175.19 2jyc s LEU 115 N 1.34 1.80 0.08 1.23 0.20 -0.64 -0.33 118.68 122.35 2jyc s LEU 115 Ca 0.02 -0.01 0.08 0.00 0.69 0.00 0.00 54.13 54.91 2jyc s LEU 115 Cb -0.13 0.27 -0.03 0.00 -0.43 0.00 0.00 46.19 45.86 2jyc s LEU 115 CO -0.09 -0.11 -0.22 -0.94 -0.29 0.00 0.00 176.35 174.70 2jyc s SER 116 N -0.39 2.61 0.06 3.68 1.04 0.22 -0.02 113.70 120.90 2jyc s SER 116 Ca -0.05 -0.63 -0.11 0.00 0.48 0.00 0.00 55.95 55.64 2jyc s SER 116 Cb -0.03 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.93 2jyc s SER 116 CO 0.00 0.11 0.24 0.00 0.98 0.00 0.00 173.24 174.58 2jyc s MET 117 N -1.65 0.81 0.60 4.02 0.23 0.44 -0.66 119.30 123.09 2jyc s MET 117 Ca 0.08 -0.70 -0.08 0.00 -1.03 0.00 0.00 55.69 53.96 2jyc s MET 117 Cb -0.10 0.34 -0.01 0.00 -1.53 0.00 0.00 34.83 33.53 2jyc s MET 117 CO 0.03 -0.26 0.95 -1.25 -2.03 0.00 0.00 175.02 172.47 2jyc s PRO 118 N -3.06 3.22 -0.78 3.16 0.04 -1.26 -0.41 135.00 135.91 2jyc s PRO 118 Ca -0.01 0.34 -0.23 0.00 0.04 0.00 0.00 61.00 61.13 2jyc s PRO 118 Cb 0.01 -2.19 -0.17 0.00 0.04 0.00 0.00 34.50 32.19 2jyc s PRO 118 CO -0.07 -0.63 2.39 -2.13 0.04 0.00 0.00 177.00 176.61 2jyc n ARG 119 N -2.64 0.50 -2.79 4.56 0.63 0.15 -4.75 116.66 112.33 2jyc n ARG 119 Ca 0.04 -0.43 -0.43 0.00 -0.92 0.00 0.00 57.85 56.11 2jyc n ARG 119 Cb 0.56 -2.93 -0.02 0.00 0.45 0.00 0.00 32.46 30.53 2jyc n ARG 119 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 2jyc s ILE 120 N 10.89 4.50 0.00 5.15 -4.36 -1.26 -4.82 121.20 131.30 2jyc s ILE 120 Ca 1.06 -1.67 0.00 0.00 -0.26 0.00 0.00 60.65 59.78 2jyc s ILE 120 Cb -0.38 -4.95 0.00 0.00 1.25 0.00 0.00 42.46 38.38 2jyc s ILE 120 CO 0.25 -1.72 0.00 0.61 0.24 0.00 0.00 174.94 174.32 2jyc n GLY 121 N 5.51 1.21 3.56 6.27 0.00 -1.26 -4.91 105.19 115.57 2jyc n GLY 121 Ca 0.33 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 2jyc n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jyc h GLY 123 N 13.70 1.04 -5.49 0.00 0.00 -1.91 -3.40 103.07 107.01 2jyc h GLY 123 Ca -0.02 -0.75 -0.66 0.00 0.00 0.00 0.00 47.33 45.90 2jyc h GLY 123 CO 1.34 0.69 -0.71 -2.27 0.00 0.00 0.00 176.54 175.59 2jyc s LEU 124 N -9.39 3.03 0.34 3.11 0.20 -1.26 -4.69 118.68 110.03 2jyc s LEU 124 Ca -0.12 -0.16 0.15 0.00 0.69 0.00 0.00 54.13 54.69 2jyc s LEU 124 Cb 0.12 -1.69 1.11 0.00 -0.43 0.00 0.00 46.19 45.30 2jyc s LEU 124 CO 0.84 0.24 1.65 -0.78 -0.29 0.00 0.00 176.35 178.00 2jyc h ASP 125 N 6.17 0.46 -0.60 3.68 3.58 -1.96 -0.30 116.42 127.45 2jyc h ASP 125 Ca -0.36 0.20 0.08 0.00 0.42 0.00 0.00 57.03 57.38 2jyc h ASP 125 Cb 1.19 0.16 -0.04 0.00 1.72 0.00 0.00 39.33 42.37 2jyc h ASP 125 CO 0.57 -0.18 0.40 -0.09 -2.88 0.00 0.00 179.24 177.06 2jyc h ARG 126 N 0.27 0.47 -6.50 0.28 2.43 -1.95 -3.44 114.38 105.95 2jyc h ARG 126 Ca 0.74 -0.03 -0.54 0.00 -0.81 0.00 0.00 59.98 59.35 2jyc h ARG 126 Cb 1.73 -0.11 0.04 0.00 -0.42 0.00 0.00 29.97 31.21 2jyc h ARG 126 CO -0.63 0.31 1.10 1.28 -1.51 0.00 0.00 179.97 180.51 2jyc n LEU 127 N -4.47 3.97 -4.60 3.80 4.32 -0.13 -4.97 117.00 114.92 2jyc n LEU 127 Ca 0.09 0.99 -0.34 0.00 -0.02 0.00 0.00 56.01 56.73 2jyc n LEU 127 Cb 0.31 -1.53 -0.11 0.00 -1.62 0.00 0.00 43.42 40.47 2jyc n LEU 127 CO 0.34 0.14 -0.32 -1.58 -1.22 0.00 0.00 177.39 174.75 2jyc s GLN 128 N 2.70 3.33 0.40 3.23 0.74 -1.26 -4.07 119.66 124.73 2jyc s GLN 128 Ca 0.82 -0.46 0.13 0.00 0.05 0.00 0.00 55.36 55.91 2jyc s GLN 128 Cb -0.50 -2.87 0.96 0.00 1.10 0.00 0.00 33.01 31.70 2jyc s GLN 128 CO 0.38 0.48 1.90 2.35 -0.55 0.00 0.00 175.29 179.84 2jyc h TRP 129 N 5.92 0.62 -0.63 1.67 2.91 -1.93 -1.02 115.95 123.49 2jyc h TRP 129 Ca -0.42 0.02 0.06 0.00 1.13 0.00 0.00 58.89 59.68 2jyc h TRP 129 Cb 1.19 -0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 29.60 2jyc h TRP 129 CO 0.58 0.23 0.42 0.93 -1.03 0.00 0.00 178.44 179.56 2jyc h GLU 130 N 0.52 0.63 -0.03 2.65 3.07 -1.98 0.42 114.58 119.86 2jyc h GLU 130 Ca 0.41 -0.04 -0.23 0.00 -0.50 0.00 0.00 59.36 59.00 2jyc h GLU 130 Cb 0.82 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 28.60 2jyc h GLU 130 CO -0.16 0.41 -0.92 -0.91 -1.40 0.00 0.00 179.01 176.04 2jyc h ASN 131 N 0.64 0.67 0.16 1.42 2.35 -1.61 -2.01 115.58 117.20 2jyc h ASN 131 Ca 0.27 -0.51 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 2jyc h ASN 131 Cb 0.25 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2jyc h ASN 131 CO -0.08 1.30 -0.08 0.58 -1.65 0.00 0.00 177.43 177.51 2jyc h VAL 132 N 0.31 0.98 -0.93 2.81 2.07 -1.12 -0.41 116.25 119.96 2jyc h VAL 132 Ca -0.08 -0.89 0.02 0.00 0.82 0.00 0.00 66.70 66.57 2jyc h VAL 132 Cb 1.55 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 32.77 2jyc h VAL 132 CO 0.17 0.20 0.61 0.77 0.02 0.00 0.00 177.57 179.34 2jyc h SER 133 N -0.66 1.04 0.10 0.57 4.64 -0.30 -1.64 113.55 117.31 2jyc h SER 133 Ca -0.02 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2jyc h SER 133 Cb 0.49 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2jyc h SER 133 CO 0.04 0.73 -0.05 0.00 -0.87 0.00 0.00 176.83 176.68 2jyc h ALA 134 N 1.36 -0.14 -0.95 5.18 0.00 -1.34 -1.92 119.26 121.46 2jyc h ALA 134 Ca 0.36 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.24 2jyc h ALA 134 Cb -0.07 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 2jyc h ALA 134 CO -0.10 -0.49 0.60 0.00 0.00 0.00 0.00 179.25 179.26 2jyc h MET 135 N -0.31 1.03 -0.07 0.00 -0.00 -0.71 0.51 114.93 115.37 2jyc h MET 135 Ca -0.01 -0.06 -0.00 0.00 -0.00 0.00 0.00 59.70 59.62 2jyc h MET 135 Cb 0.26 -0.23 -0.00 0.00 -0.00 0.00 0.00 31.60 31.62 2jyc h MET 135 CO 0.02 0.68 0.04 0.82 -0.00 0.00 0.00 176.91 178.48 2jyc h ILE 136 N 1.06 1.06 -0.01 -0.10 2.04 -1.17 0.18 117.51 120.57 2jyc h ILE 136 Ca 0.42 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 66.03 2jyc h ILE 136 Cb 0.23 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2jyc h ILE 136 CO -0.19 0.05 -0.44 -0.33 0.00 0.00 0.00 178.15 177.24 2jyc h GLU 137 N 0.05 0.03 -0.12 2.37 5.08 -0.46 -0.41 114.58 121.12 2jyc h GLU 137 Ca 0.03 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2jyc h GLU 137 Cb 0.04 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2jyc h GLU 137 CO -0.00 0.46 0.01 0.93 -1.00 0.00 0.00 179.01 179.41 2jyc h GLU 138 N 0.02 0.21 -0.33 2.33 5.08 0.53 -1.17 114.58 121.25 2jyc h GLU 138 Ca -0.00 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2jyc h GLU 138 Cb 0.78 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2jyc h GLU 138 CO 0.06 0.43 0.07 0.28 -1.00 0.00 0.00 179.01 178.84 2jyc h VAL 139 N -0.04 1.23 0.00 3.13 2.07 -0.41 -3.04 116.25 119.19 2jyc h VAL 139 Ca 0.04 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2jyc h VAL 139 Cb 0.33 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2jyc h VAL 139 CO 0.00 0.26 0.00 0.49 0.02 0.00 0.00 177.57 178.35 2jyc n PHE 140 N -4.62 0.76 -0.22 1.57 3.72 -0.19 -4.07 117.46 114.42 2jyc n PHE 140 Ca -0.02 0.24 0.23 0.00 -0.05 0.00 0.00 57.45 57.85 2jyc n PHE 140 Cb 0.21 -0.90 0.59 0.00 -0.94 0.00 0.00 39.48 38.44 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 0.24 0.00 -1.08 4.81 -1.08 0.10 114.58 117.58 2jyc h GLU 141 Ca 0.00 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 2jyc h GLU 141 Cb 0.60 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2jyc h GLU 141 CO 0.00 0.16 -0.46 0.00 -0.73 0.00 0.00 179.01 177.98 2jyc h ALA 142 N 1.59 0.72 -5.68 2.92 0.00 -1.79 -3.46 119.26 113.56 2jyc h ALA 142 Ca 0.46 -0.40 -0.39 0.00 0.00 0.00 0.00 54.91 54.58 2jyc h ALA 142 Cb 1.39 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2jyc h ALA 142 CO -0.12 0.55 -0.12 0.25 0.00 0.00 0.00 179.25 179.81 2jyc n THR 143 N -3.20 0.00 -3.56 0.00 -2.24 0.36 -5.10 114.28 100.55 2jyc n THR 143 Ca 0.02 -1.51 -0.29 0.00 -2.27 0.00 0.00 64.05 60.00 2jyc n THR 143 Cb 0.71 -0.43 -0.12 0.00 -2.10 0.00 0.00 70.33 68.39 2jyc n THR 143 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jyc s ASP 144 N -3.54 3.11 -0.03 3.42 2.15 -1.26 -4.96 116.67 115.56 2jyc s ASP 144 Ca 0.35 -2.47 0.02 0.00 0.43 0.00 0.00 52.55 50.89 2jyc s ASP 144 Cb -0.03 -0.66 0.01 0.00 -0.30 0.00 0.00 42.92 41.94 2jyc s ASP 144 CO 0.22 -0.28 -0.08 -0.63 -0.17 0.00 0.00 175.17 174.24 2jyc s ILE 145 N 0.65 0.73 -0.05 4.11 1.01 -1.26 -4.77 121.20 121.62 2jyc s ILE 145 Ca 0.19 -0.31 -0.22 0.00 0.00 0.00 0.00 60.65 60.31 2jyc s ILE 145 Cb -0.20 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 2jyc s ILE 145 CO -0.02 0.24 0.66 -0.54 0.00 0.00 0.00 174.94 175.28 2jyc s LYS 146 N 0.37 4.41 -0.26 2.79 -0.14 0.16 -4.87 119.74 122.20 2jyc s LYS 146 Ca -0.06 0.81 -0.07 0.00 -1.36 0.00 0.00 55.97 55.30 2jyc s LYS 146 Cb -0.10 -3.42 -0.01 0.00 -1.68 0.00 0.00 37.83 32.62 2jyc s LYS 146 CO 0.01 0.15 0.05 0.42 -0.76 0.00 0.00 175.35 175.22 2jyc s ILE 147 N 0.53 4.04 -0.29 2.17 -1.09 0.26 -1.62 121.20 125.21 2jyc s ILE 147 Ca 0.35 -0.38 -0.06 0.00 -2.23 0.00 0.00 60.65 58.33 2jyc s ILE 147 Cb -0.18 -2.94 0.01 0.00 -1.58 0.00 0.00 42.46 37.77 2jyc s ILE 147 CO 0.17 0.28 0.06 -0.89 -1.23 0.00 0.00 174.94 173.33 2jyc s THR 148 N 1.56 3.80 -0.32 2.92 2.01 0.97 -0.63 115.64 125.96 2jyc s THR 148 Ca 0.05 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.21 2jyc s THR 148 Cb -0.16 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 2jyc s THR 148 CO 0.02 0.11 0.21 -0.69 -0.69 0.00 0.00 174.62 173.58 2jyc s VAL 149 N 1.48 5.17 -0.03 3.82 1.01 0.65 -0.42 120.40 132.08 2jyc s VAL 149 Ca 0.02 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.71 2jyc s VAL 149 Cb -0.17 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2jyc s VAL 149 CO 0.01 0.08 0.43 -0.31 0.00 0.00 0.00 175.10 175.32 2jyc s TYR 150 N 1.72 3.66 -0.14 5.22 1.51 0.46 0.08 117.35 129.86 2jyc s TYR 150 Ca 0.06 0.97 -0.19 0.00 -1.01 0.00 0.00 57.07 56.89 2jyc s TYR 150 Cb -0.17 -2.38 -0.04 0.00 -0.11 0.00 0.00 41.96 39.26 2jyc s TYR 150 CO 0.10 0.49 0.53 0.95 -1.11 0.00 0.00 175.55 176.51 2jyc s THR 151 N -0.53 5.13 0.00 -0.71 -4.23 -0.01 -0.67 115.64 114.62 2jyc s THR 151 Ca 0.24 1.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.80 2jyc s THR 151 Cb -0.16 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 69.81 2jyc s THR 151 CO 0.12 0.26 0.34 -0.11 -0.54 0.00 0.00 174.62 174.69