#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyc n ALA 2 N 0.00 2.22 -2.50 4.31 0.00 -1.26 -4.99 120.51 118.29 2jyc n ALA 2 Ca 0.00 -2.19 -0.39 0.00 0.00 0.00 0.00 53.44 50.86 2jyc n ALA 2 Cb 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 2jyc n ALA 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jyc s SER 3 N -2.36 6.31 -0.30 0.00 0.15 -1.26 -4.78 113.70 111.46 2jyc s SER 3 Ca 0.23 -1.27 -0.09 0.00 0.70 0.00 0.00 55.95 55.52 2jyc s SER 3 Cb 0.20 -2.57 0.18 0.00 -1.71 0.00 0.00 66.02 62.13 2jyc s SER 3 CO 0.02 -1.68 0.92 -0.94 1.20 0.00 0.00 173.24 172.76 2jyc s SER 4 N 5.28 -0.74 0.22 5.45 1.04 -1.26 -5.17 113.70 118.52 2jyc s SER 4 Ca 0.48 0.35 0.03 0.00 0.48 0.00 0.00 55.95 57.29 2jyc s SER 4 Cb -0.01 1.57 -0.05 0.00 0.10 0.00 0.00 66.02 67.63 2jyc s SER 4 CO -0.07 -0.14 0.01 -1.48 0.98 0.00 0.00 173.24 172.55 2jyc s LEU 5 N 2.93 2.08 0.11 2.42 0.05 -1.26 -5.16 118.68 119.85 2jyc s LEU 5 Ca 0.09 -1.23 0.08 0.00 0.05 0.00 0.00 54.13 53.12 2jyc s LEU 5 Cb -0.10 -0.15 -0.04 0.00 -2.05 0.00 0.00 46.19 43.85 2jyc s LEU 5 CO -0.16 -0.57 -0.14 0.21 -0.55 0.00 0.00 176.35 175.14 2jyc s ASN 6 N -3.26 4.15 0.57 1.48 2.47 -1.26 -5.13 114.94 113.96 2jyc s ASN 6 Ca 0.28 -0.48 -0.02 0.00 0.42 0.00 0.00 52.86 53.07 2jyc s ASN 6 Cb 0.06 -0.69 0.03 0.00 -1.45 0.00 0.00 41.25 39.20 2jyc s ASN 6 CO 0.08 0.17 0.82 -1.83 -3.72 0.00 0.00 177.10 172.63 2jyc s GLU 7 N -2.21 2.62 -0.57 0.43 -1.05 -1.26 -5.07 118.70 111.59 2jyc s GLU 7 Ca 0.20 -0.50 0.04 0.00 -0.15 0.00 0.00 54.97 54.56 2jyc s GLU 7 Cb -0.11 -2.40 0.14 0.00 -0.44 0.00 0.00 34.13 31.32 2jyc s GLU 7 CO 0.12 -0.74 0.33 0.16 0.95 0.00 0.00 175.26 176.08 2jyc s ASP 8 N -4.39 4.50 0.00 0.83 -4.77 -1.26 -5.07 116.67 106.52 2jyc s ASP 8 Ca 0.56 -3.19 0.00 0.00 -3.30 0.00 0.00 52.55 46.61 2jyc s ASP 8 Cb -0.10 -1.66 0.00 0.00 -1.09 0.00 0.00 42.92 40.07 2jyc s ASP 8 CO 0.41 -0.21 0.00 -0.81 0.70 0.00 0.00 175.17 175.26 2jyc n PRO 9 N 2.88 3.21 0.00 2.11 -0.04 -1.26 -4.93 135.00 136.97 2jyc n PRO 9 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2jyc n PRO 9 Cb 0.33 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 2jyc n PRO 9 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2jyc n GLU 10 N -0.08 0.00 -4.30 0.54 2.13 -1.26 -4.83 120.64 112.85 2jyc n GLU 10 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 2jyc n GLU 10 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 2jyc n GLU 10 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2jyc s GLY 11 N 0.00 1.79 0.04 8.31 0.00 -1.25 -5.01 107.32 111.20 2jyc s GLY 11 Ca 0.00 -1.16 -0.17 0.00 0.00 0.00 0.00 44.72 43.39 2jyc s GLY 11 CO 0.00 -1.11 1.16 1.48 0.00 0.00 0.00 173.10 174.63 2jyc h SER 12 N 3.87 0.70 0.00 1.64 4.64 -1.98 -3.44 113.55 118.98 2jyc h SER 12 Ca -0.48 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 60.11 2jyc h SER 12 Cb 1.17 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2jyc h SER 12 CO 0.53 1.33 -0.01 0.54 -0.87 0.00 0.00 176.83 178.36 2jyc n ARG 13 N -4.08 0.00 -2.89 4.77 5.12 -1.26 -4.98 116.66 113.34 2jyc n ARG 13 Ca -0.10 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.41 2jyc n ARG 13 Cb 0.74 -0.35 -0.04 0.00 -1.16 0.00 0.00 32.46 31.64 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 -2.00 4.87 -0.11 0.55 1.01 -1.25 -1.20 121.20 123.07 2jyc s ILE 14 Ca 0.00 1.62 0.03 0.00 0.00 0.00 0.00 60.65 62.30 2jyc s ILE 14 Cb 0.00 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.34 2jyc s ILE 14 CO 0.00 0.01 -0.23 -0.89 0.00 0.00 0.00 174.94 173.83 2jyc s THR 15 N 2.26 2.14 -0.07 2.92 2.01 0.76 -3.93 115.64 121.74 2jyc s THR 15 Ca 0.38 -0.98 -0.16 0.00 0.31 0.00 0.00 61.69 61.23 2jyc s THR 15 Cb -0.16 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 2jyc s THR 15 CO 0.11 0.55 0.43 -0.31 -0.69 0.00 0.00 174.62 174.72 2jyc s TYR 16 N 0.43 3.61 -0.04 4.92 2.02 -1.26 0.17 117.35 127.20 2jyc s TYR 16 Ca -0.16 0.92 0.03 0.00 -0.37 0.00 0.00 57.07 57.48 2jyc s TYR 16 Cb -0.17 -2.42 0.00 0.00 -0.40 0.00 0.00 41.96 38.97 2jyc s TYR 16 CO 0.07 0.38 -0.12 0.08 -1.57 0.00 0.00 175.55 174.39 2jyc s VAL 17 N -0.15 1.02 -0.04 0.71 1.01 0.80 -4.92 120.40 118.83 2jyc s VAL 17 Ca 0.24 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 2jyc s VAL 17 Cb -0.16 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 2jyc s VAL 17 CO 0.11 0.31 0.36 -1.59 0.00 0.00 0.00 175.10 174.29 2jyc s LYS 18 N 0.22 3.91 0.00 2.72 -2.85 -1.26 -1.12 119.74 121.36 2jyc s LYS 18 Ca -0.05 0.30 0.00 0.00 -1.00 0.00 0.00 55.97 55.22 2jyc s LYS 18 Cb -0.10 -3.25 0.00 0.00 -2.06 0.00 0.00 37.83 32.41 2jyc s LYS 18 CO 0.01 0.62 0.00 0.41 0.10 0.00 0.00 175.35 176.50 2jyc n GLY 19 N 2.10 0.28 2.96 0.59 0.00 -1.26 -4.92 105.19 104.94 2jyc n GLY 19 Ca -0.14 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 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 0.23 0.46 1.61 2.15 -1.26 -4.67 116.67 111.18 2jyc s ASP 20 Ca 0.00 -0.38 0.26 0.00 0.43 0.00 0.00 52.55 52.85 2jyc s ASP 20 Cb 0.00 0.07 0.70 0.00 -0.30 0.00 0.00 42.92 43.39 2jyc s ASP 20 CO 0.00 -0.22 1.73 0.25 -0.17 0.00 0.00 175.17 176.76 2jyc h LEU 21 N 5.01 0.00 -0.37 -1.34 5.85 -1.91 -2.42 115.31 120.12 2jyc h LEU 21 Ca -0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2jyc h LEU 21 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2jyc h LEU 21 CO 0.43 0.08 -0.12 0.49 -0.34 0.00 0.00 178.44 178.99 2jyc n PHE 22 N -3.15 0.00 -0.78 1.25 3.72 -1.26 -3.21 117.46 114.03 2jyc n PHE 22 Ca 0.02 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.49 2jyc n PHE 22 Cb 0.47 -0.13 0.38 0.00 -0.94 0.00 0.00 39.48 39.26 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 -0.74 3.76 -2.06 4.37 0.00 -0.91 -4.98 120.51 119.95 2jyc n ALA 23 Ca 0.15 -1.80 -0.33 0.00 0.00 0.00 0.00 53.44 51.46 2jyc n ALA 23 Cb 0.29 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.80 3.05 0.23 0.00 0.02 -1.26 -4.91 135.00 129.32 2jyc s PRO 25 Ca 0.53 1.92 0.19 0.00 0.02 0.00 0.00 61.00 63.67 2jyc s PRO 25 Cb -0.12 -2.03 0.91 0.00 0.02 0.00 0.00 34.50 33.28 2jyc s PRO 25 CO 0.18 -1.17 1.59 0.36 -0.33 0.00 0.00 177.00 177.63 2jyc n LYS 26 N -1.39 0.13 0.16 5.54 0.00 -1.26 -2.14 118.16 119.21 2jyc n LYS 26 Ca 0.13 0.49 0.13 0.00 -0.00 0.00 0.00 58.31 59.06 2jyc n LYS 26 Cb 0.48 -1.83 0.43 0.00 -0.00 0.00 0.00 35.03 34.12 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 -3.43 0.58 1.35 -1.92 -3.40 112.91 106.09 2jyc h THR 27 Ca 0.00 -0.51 -0.63 0.00 -0.55 0.00 0.00 66.41 64.72 2jyc h THR 27 Cb 0.18 1.44 -0.18 0.00 -1.73 0.00 0.00 68.15 67.85 2jyc h THR 27 CO 0.00 0.00 -0.58 -1.81 -0.25 0.00 0.00 175.52 172.88 2jyc s ASP 28 N -4.96 5.46 0.70 5.36 1.11 -0.91 -4.50 116.67 118.93 2jyc s ASP 28 Ca 0.07 -0.02 -0.11 0.00 0.18 0.00 0.00 52.55 52.66 2jyc s ASP 28 Cb 0.09 -1.95 0.02 0.00 1.07 0.00 0.00 42.92 42.15 2jyc s ASP 28 CO 0.54 0.10 1.09 -0.44 1.18 0.00 0.00 175.17 177.65 2jyc s SER 29 N 0.80 5.43 -0.01 0.27 0.01 0.90 -4.78 113.70 116.32 2jyc s SER 29 Ca 0.03 1.10 0.07 0.00 1.31 0.00 0.00 55.95 58.47 2jyc s SER 29 Cb -0.14 -1.90 -0.02 0.00 0.21 0.00 0.00 66.02 64.18 2jyc s SER 29 CO 0.02 -1.34 -0.23 -0.22 0.41 0.00 0.00 173.24 171.88 2jyc s LEU 30 N -5.35 2.06 0.03 2.44 0.20 0.41 0.62 118.68 119.09 2jyc s LEU 30 Ca 0.58 -0.43 -0.00 0.00 0.69 0.00 0.00 54.13 54.97 2jyc s LEU 30 Cb -0.11 -1.18 -0.03 0.00 -0.43 0.00 0.00 46.19 44.44 2jyc s LEU 30 CO 0.51 0.28 -0.03 0.00 -0.29 0.00 0.00 176.35 176.82 2jyc s ALA 31 N -0.57 0.23 0.00 5.97 0.00 0.79 0.54 121.76 128.72 2jyc s ALA 31 Ca 0.09 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 51.00 2jyc s ALA 31 Cb -0.09 0.18 0.10 0.00 0.00 0.00 0.00 23.12 23.31 2jyc s ALA 31 CO -0.01 -0.22 1.00 -3.38 0.00 0.00 0.00 175.76 173.15 2jyc s HIS 32 N -2.13 -0.23 -0.05 0.00 -3.43 -0.56 -4.23 115.29 104.66 2jyc s HIS 32 Ca -0.10 0.07 -0.04 0.00 -0.80 0.00 0.00 55.06 54.19 2jyc s HIS 32 Cb -0.05 0.56 -0.04 0.00 -1.43 0.00 0.00 32.58 31.62 2jyc s HIS 32 CO -0.03 -0.53 0.17 0.00 -2.00 0.00 0.00 174.74 172.34 2jyc s ILE 34 N -1.22 0.00 0.29 0.00 -4.36 0.13 -4.87 121.20 111.16 2jyc s ILE 34 Ca 0.23 -1.99 -0.02 0.00 -0.26 0.00 0.00 60.65 58.61 2jyc s ILE 34 Cb -0.12 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 41.05 2jyc s ILE 34 CO 0.14 0.00 0.52 -0.94 0.24 0.00 0.00 174.94 174.89 2jyc s SER 35 N -3.18 6.38 0.28 4.36 1.04 -1.26 -1.90 113.70 119.42 2jyc s SER 35 Ca 0.39 0.55 0.25 0.00 0.48 0.00 0.00 55.95 57.62 2jyc s SER 35 Cb 0.07 -2.08 0.98 0.00 0.10 0.00 0.00 66.02 65.09 2jyc s SER 35 CO 0.13 -0.20 1.74 1.05 0.98 0.00 0.00 173.24 176.95 2jyc h GLU 36 N 1.42 0.00 0.00 4.02 -0.00 0.12 -1.41 114.58 118.73 2jyc h GLU 36 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.88 2jyc h GLU 36 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 2jyc h GLU 36 CO 0.65 0.00 -0.57 0.22 -0.00 0.00 0.00 179.01 179.30 2jyc h ASP 37 N 0.00 0.00 -1.08 3.06 3.58 -1.41 -3.48 116.42 117.09 2jyc h ASP 37 Ca 0.00 -0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.17 2jyc h ASP 37 Cb 0.44 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.38 2jyc h ASP 37 CO 0.00 0.00 -0.26 0.00 -2.88 0.00 0.00 179.24 176.11 2jyc h ARG 39 N 0.00 0.98 0.00 0.00 3.08 -1.93 -3.46 114.38 113.05 2jyc h ARG 39 Ca -0.28 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.45 2jyc h ARG 39 Cb 1.00 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2jyc h ARG 39 CO 0.41 0.99 0.00 -1.33 -1.07 0.00 0.00 179.97 178.97 2jyc n MET 40 N -4.25 0.00 0.00 0.04 2.81 -1.26 -4.80 117.12 109.67 2jyc n MET 40 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 2jyc n MET 40 Cb 0.34 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.85 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 1.28 3.56 3.03 0.00 -1.26 -4.82 105.19 106.97 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 -0.25 0.01 0.00 4.61 0.00 -1.26 -5.02 121.76 119.84 2jyc s ALA 42 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2jyc s ALA 42 Cb 0.00 1.09 0.00 0.00 0.00 0.00 0.00 23.12 24.21 2jyc s ALA 42 CO 0.00 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.34 2jyc n GLY 43 N -0.42 -0.81 0.21 0.00 0.00 -1.26 -4.19 105.19 98.73 2jyc n GLY 43 Ca -0.01 -1.70 0.15 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.38 -0.61 2.10 -2.01 -2.33 117.51 114.28 2jyc h ILE 44 Ca 0.00 -0.18 -0.02 0.00 1.08 0.00 0.00 64.86 65.74 2jyc h ILE 44 Cb 0.00 0.94 -0.02 0.00 -1.09 0.00 0.00 36.82 36.65 2jyc h ILE 44 CO 0.00 0.00 0.14 0.00 -1.08 0.00 0.00 178.15 177.21 2jyc h ALA 45 N 2.09 1.54 -0.29 0.18 0.00 -1.91 -1.52 119.26 119.35 2jyc h ALA 45 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2jyc h ALA 45 Cb 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2jyc h ALA 45 CO 0.00 0.36 -0.05 0.28 0.00 0.00 0.00 179.25 179.83 2jyc h VAL 46 N 0.54 1.20 -0.59 0.00 2.07 -1.58 0.29 116.25 118.19 2jyc h VAL 46 Ca 0.13 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 2jyc h VAL 46 Cb 0.12 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2jyc h VAL 46 CO -0.01 0.28 0.06 -0.07 0.02 0.00 0.00 177.57 177.85 2jyc h LEU 47 N 0.44 0.93 -0.27 2.57 3.38 -1.44 -1.65 115.31 119.27 2jyc h LEU 47 Ca 0.09 -0.22 -0.19 0.00 0.09 0.00 0.00 57.88 57.65 2jyc h LEU 47 Cb 0.38 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2jyc h LEU 47 CO 0.02 0.95 -0.88 -0.26 0.09 0.00 0.00 178.44 178.35 2jyc h PHE 48 N 0.91 0.20 -0.80 1.13 -1.00 -0.83 -1.09 116.94 115.47 2jyc h PHE 48 Ca 0.18 -0.11 -0.03 0.00 2.81 0.00 0.00 57.97 60.81 2jyc h PHE 48 Cb 0.44 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.94 2jyc h PHE 48 CO 0.03 0.94 0.38 -0.22 -1.61 0.00 0.00 178.31 177.83 2jyc h LYS 49 N 0.07 1.14 0.01 1.51 3.64 -0.15 0.32 116.57 123.12 2jyc h LYS 49 Ca -0.04 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2jyc h LYS 49 Cb 1.53 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2jyc h LYS 49 CO 0.13 0.88 -0.01 0.87 -2.27 0.00 0.00 179.45 179.05 2jyc h LYS 50 N 1.13 -0.02 0.14 1.90 1.57 -1.22 -3.02 116.57 117.06 2jyc h LYS 50 Ca 0.27 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.87 2jyc h LYS 50 Cb 0.12 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.45 2jyc h LYS 50 CO -0.03 0.71 -0.84 0.87 -0.57 0.00 0.00 179.45 179.59 2jyc h LYS 51 N -0.78 0.30 -0.47 3.15 1.57 -1.17 -3.34 116.57 115.83 2jyc h LYS 51 Ca -0.00 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2jyc h LYS 51 Cb 0.73 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2jyc h LYS 51 CO 0.00 1.24 0.00 1.19 -0.57 0.00 0.00 179.45 181.32 2jyc n PHE 52 N -4.12 1.67 -0.78 -1.35 3.01 0.11 -4.99 117.46 111.01 2jyc n PHE 52 Ca -0.14 -0.78 -0.07 0.00 1.01 0.00 0.00 57.45 57.47 2jyc n PHE 52 Cb 0.83 -0.44 -0.08 0.00 -0.01 0.00 0.00 39.48 39.78 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 0.25 -0.17 2.72 1.37 0.00 -0.96 -4.70 105.19 103.70 2jyc n GLY 53 Ca 0.25 -0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 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 3.10 1.96 0.30 -0.02 0.00 -1.26 -4.91 105.19 104.36 2jyc n GLY 54 Ca 0.23 -1.27 -0.05 0.00 0.00 0.00 0.00 46.02 44.93 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 4.27 1.20 -0.29 1.61 2.07 -1.92 -0.07 116.25 123.12 2jyc h VAL 55 Ca -0.09 -0.39 -0.16 0.00 0.82 0.00 0.00 66.70 66.88 2jyc h VAL 55 Cb 1.23 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2jyc h VAL 55 CO 0.36 0.20 -0.47 1.56 0.02 0.00 0.00 177.57 179.24 2jyc h GLN 56 N 1.02 0.78 -0.88 1.57 7.50 -1.98 -0.61 115.11 122.51 2jyc h GLN 56 Ca 0.27 -0.44 0.07 0.00 0.50 0.00 0.00 58.65 59.05 2jyc h GLN 56 Cb -0.09 0.03 -0.06 0.00 0.05 0.00 0.00 27.48 27.41 2jyc h GLN 56 CO -0.06 1.07 0.55 0.93 -1.50 0.00 0.00 178.83 179.82 2jyc h GLU 57 N 0.62 0.95 0.14 1.46 5.08 -1.74 0.29 114.58 121.38 2jyc h GLU 57 Ca 0.03 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2jyc h GLU 57 Cb 1.04 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2jyc h GLU 57 CO 0.10 0.63 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.61 2jyc h LEU 58 N 0.98 -0.15 -0.69 1.33 3.38 -0.76 -3.01 115.31 116.39 2jyc h LEU 58 Ca 0.39 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2jyc h LEU 58 Cb 0.20 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2jyc h LEU 58 CO -0.18 0.20 0.45 -0.07 0.09 0.00 0.00 178.44 178.93 2jyc h LEU 59 N -0.53 0.80 -1.08 1.67 3.38 -0.69 -2.32 115.31 116.54 2jyc h LEU 59 Ca -0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2jyc h LEU 59 Cb 0.42 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2jyc h LEU 59 CO 0.03 0.59 0.00 0.78 0.09 0.00 0.00 178.44 179.93 2jyc h ASN 60 N 0.94 0.00 0.74 -0.43 2.35 -0.48 -1.05 115.58 117.64 2jyc h ASN 60 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 2jyc h ASN 60 Cb -0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.28 2jyc h ASN 60 CO -0.05 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.73 2jyc n GLN 61 N -2.44 0.05 -2.46 0.81 6.02 -0.87 -4.93 117.38 113.57 2jyc n GLN 61 Ca 0.01 0.10 -0.03 0.00 -0.01 0.00 0.00 57.00 57.07 2jyc n GLN 61 Cb 0.20 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.96 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 -1.47 -1.28 -2.33 -1.09 6.02 -0.40 -5.01 117.38 111.82 2jyc n GLN 62 Ca 0.06 1.40 -0.37 0.00 -0.01 0.00 0.00 57.00 58.08 2jyc n GLN 62 Cb 0.26 -4.31 -0.02 0.00 1.02 0.00 0.00 30.24 27.19 2jyc n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2jyc s LYS 63 N -2.48 3.95 0.05 -1.09 0.00 -1.26 -5.05 119.74 113.87 2jyc s LYS 63 Ca 0.09 1.74 0.01 0.00 0.00 0.00 0.00 55.97 57.81 2jyc s LYS 63 Cb -0.03 -2.53 -0.03 0.00 0.00 0.00 0.00 37.83 35.24 2jyc s LYS 63 CO 0.51 -0.38 -0.05 0.15 0.00 0.00 0.00 175.35 175.58 2jyc s LYS 64 N -2.51 0.55 -0.16 1.78 -0.14 -1.26 -5.02 119.74 112.98 2jyc s LYS 64 Ca 0.60 -0.93 -0.29 0.00 -1.36 0.00 0.00 55.97 53.99 2jyc s LYS 64 Cb -0.28 -0.07 -0.04 0.00 -1.68 0.00 0.00 37.83 35.76 2jyc s LYS 64 CO 0.34 -0.02 1.79 -1.54 -0.76 0.00 0.00 175.35 175.16 2jyc s SER 65 N -2.12 6.24 0.00 2.83 1.04 -1.26 -1.41 113.70 119.01 2jyc s SER 65 Ca -0.04 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.29 2jyc s SER 65 Cb -0.03 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2jyc s SER 65 CO -0.03 -1.33 0.00 0.61 0.98 0.00 0.00 173.24 173.47 2jyc n GLY 66 N 4.81 1.07 3.40 7.32 0.00 0.59 -4.99 105.19 117.37 2jyc n GLY 66 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.68 1.47 -0.02 1.61 2.02 -0.50 -3.22 118.70 119.38 2jyc s GLU 67 Ca 0.00 -1.72 0.08 0.00 0.02 0.00 0.00 54.97 53.35 2jyc s GLU 67 Cb 0.00 -1.10 -0.02 0.00 0.10 0.00 0.00 34.13 33.11 2jyc s GLU 67 CO 0.00 0.07 -0.26 0.54 0.02 0.00 0.00 175.26 175.63 2jyc s VAL 68 N -3.03 2.02 -0.04 2.63 0.11 -1.26 -0.96 120.40 119.87 2jyc s VAL 68 Ca 0.27 -1.10 -0.01 0.00 -2.93 0.00 0.00 61.98 58.21 2jyc s VAL 68 Cb 0.03 -1.68 -0.04 0.00 -1.53 0.00 0.00 36.38 33.16 2jyc s VAL 68 CO 0.10 0.57 0.06 0.00 -3.33 0.00 0.00 175.10 172.51 2jyc s ALA 69 N -0.60 3.53 -0.02 1.54 0.00 0.17 -4.95 121.76 121.43 2jyc s ALA 69 Ca 0.10 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.26 2jyc s ALA 69 Cb -0.10 -1.59 -0.00 0.00 0.00 0.00 0.00 23.12 21.43 2jyc s ALA 69 CO -0.01 0.65 -0.12 0.08 0.00 0.00 0.00 175.76 176.37 2jyc s VAL 70 N -1.09 0.98 -0.12 0.00 1.01 -1.26 -0.37 120.40 119.55 2jyc s VAL 70 Ca 0.19 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.69 2jyc s VAL 70 Cb -0.12 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.44 2jyc s VAL 70 CO 0.10 0.29 -0.17 -0.76 0.00 0.00 0.00 175.10 174.55 2jyc s LEU 71 N -0.06 1.84 -0.18 3.92 1.43 0.04 -4.95 118.68 120.72 2jyc s LEU 71 Ca 0.01 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.45 2jyc s LEU 71 Cb -0.07 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 2jyc s LEU 71 CO 0.00 0.03 0.42 -0.75 0.23 0.00 0.00 176.35 176.28 2jyc s LYS 72 N 1.00 4.21 -0.15 1.70 2.20 -1.26 0.63 119.74 128.07 2jyc s LYS 72 Ca -0.05 0.27 -0.02 0.00 -0.36 0.00 0.00 55.97 55.81 2jyc s LYS 72 Cb -0.15 -3.51 0.05 0.00 -1.51 0.00 0.00 37.83 32.71 2jyc s LYS 72 CO -0.03 0.00 0.01 0.50 -0.36 0.00 0.00 175.35 175.47 2jyc s ARG 73 N 1.17 0.77 0.00 4.03 3.00 0.12 -4.98 118.95 123.06 2jyc s ARG 73 Ca 0.21 -0.26 0.00 0.00 -1.00 0.00 0.00 55.73 54.68 2jyc s ARG 73 Cb -0.15 -1.71 0.00 0.00 0.00 0.00 0.00 34.95 33.09 2jyc s ARG 73 CO 0.08 -0.49 0.00 -3.47 0.00 0.00 0.00 175.30 171.42 2jyc n ASP 74 N 5.05 0.00 0.00 -2.12 2.03 -1.26 -1.74 116.55 118.52 2jyc n ASP 74 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 2jyc n ASP 74 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 2jyc n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jyc n GLY 75 N 0.00 0.89 3.62 0.27 0.00 -1.26 -5.10 105.19 103.60 2jyc n GLY 75 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.07 2.05 -0.07 1.61 1.70 -0.71 -4.94 118.95 118.52 2jyc s ARG 76 Ca 0.00 -1.74 -0.02 0.00 -0.47 0.00 0.00 55.73 53.50 2jyc s ARG 76 Cb 0.00 -1.92 -0.04 0.00 -0.57 0.00 0.00 34.95 32.43 2jyc s ARG 76 CO 0.00 0.17 0.03 0.71 -1.08 0.00 0.00 175.30 175.13 2jyc s TYR 77 N -2.51 3.23 -0.20 5.89 1.51 -1.26 -0.70 117.35 123.30 2jyc s TYR 77 Ca 0.34 0.23 -0.04 0.00 -1.01 0.00 0.00 57.07 56.58 2jyc s TYR 77 Cb -0.01 -1.78 -0.02 0.00 -0.11 0.00 0.00 41.96 40.04 2jyc s TYR 77 CO 0.19 0.52 -0.03 0.42 -1.11 0.00 0.00 175.55 175.54 2jyc s ILE 78 N -0.98 3.65 -0.17 2.71 -1.09 0.20 -0.45 121.20 125.08 2jyc s ILE 78 Ca 0.16 -0.41 -0.05 0.00 -2.23 0.00 0.00 60.65 58.11 2jyc s ILE 78 Cb -0.12 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 38.09 2jyc s ILE 78 CO 0.05 0.43 0.01 -0.31 -1.23 0.00 0.00 174.94 173.89 2jyc s TYR 79 N 1.14 3.12 -0.40 3.97 1.51 0.19 -0.78 117.35 126.10 2jyc s TYR 79 Ca 0.02 -0.14 0.01 0.00 -1.01 0.00 0.00 57.07 55.95 2jyc s TYR 79 Cb -0.15 -2.01 0.11 0.00 -0.11 0.00 0.00 41.96 39.80 2jyc s TYR 79 CO 0.00 0.04 0.15 0.71 -1.11 0.00 0.00 175.55 175.35 2jyc s TYR 80 N 0.37 3.63 -0.19 2.71 1.51 0.50 -1.50 117.35 124.39 2jyc s TYR 80 Ca -0.01 -2.77 -0.29 0.00 -1.01 0.00 0.00 57.07 52.99 2jyc s TYR 80 Cb -0.13 -3.06 -0.01 0.00 -0.11 0.00 0.00 41.96 38.65 2jyc s TYR 80 CO 0.02 -0.94 1.28 -0.51 -1.11 0.00 0.00 175.55 174.29 2jyc s LEU 81 N 0.84 4.12 -0.49 -1.29 2.01 -0.52 -0.65 118.68 122.70 2jyc s LEU 81 Ca 0.11 1.61 -0.22 0.00 0.01 0.00 0.00 54.13 55.63 2jyc s LEU 81 Cb -0.21 -3.54 0.04 0.00 0.01 0.00 0.00 46.19 42.49 2jyc s LEU 81 CO -0.06 -0.83 0.79 -0.63 1.01 0.00 0.00 176.35 176.63 2jyc s ILE 82 N 3.70 4.63 -0.15 -0.59 -1.09 -0.13 0.17 121.20 127.74 2jyc s ILE 82 Ca 0.55 0.16 -0.18 0.00 -2.23 0.00 0.00 60.65 58.95 2jyc s ILE 82 Cb -0.21 -4.37 -0.16 0.00 -1.58 0.00 0.00 42.46 36.14 2jyc s ILE 82 CO 0.16 -0.85 0.35 0.71 -1.23 0.00 0.00 174.94 174.09 2jyc h THR 83 N 5.96 0.97 -4.78 2.92 1.35 -1.67 0.17 112.91 117.83 2jyc h THR 83 Ca -0.26 -1.85 -0.44 0.00 -0.55 0.00 0.00 66.41 63.31 2jyc h THR 83 Cb 1.08 1.96 -0.12 0.00 -1.73 0.00 0.00 68.15 69.34 2jyc h THR 83 CO 0.99 0.33 -0.43 -0.54 -0.25 0.00 0.00 175.52 175.62 2jyc s LYS 84 N -2.11 1.80 0.00 4.72 -0.14 -1.26 -4.19 119.74 118.56 2jyc s LYS 84 Ca -0.17 -1.99 0.00 0.00 -1.36 0.00 0.00 55.97 52.45 2jyc s LYS 84 Cb 0.00 0.35 0.00 0.00 -1.68 0.00 0.00 37.83 36.50 2jyc s LYS 84 CO 0.46 -0.68 0.31 1.17 -0.76 0.00 0.00 175.35 175.85 2jyc n LYS 85 N -0.62 0.00 -2.49 1.68 4.81 -1.26 -0.86 118.16 119.42 2jyc n LYS 85 Ca 0.07 0.31 -0.26 0.00 -0.87 0.00 0.00 58.31 57.55 2jyc n LYS 85 Cb 0.62 -1.00 0.02 0.00 0.02 0.00 0.00 35.03 34.69 2jyc n LYS 85 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2jyc s ARG 86 N -1.25 3.06 0.20 1.64 1.81 -1.26 -1.20 118.95 121.94 2jyc s ARG 86 Ca 0.00 -0.00 0.23 0.00 -1.72 0.00 0.00 55.73 54.24 2jyc s ARG 86 Cb 0.00 -2.32 0.91 0.00 -0.45 0.00 0.00 34.95 33.09 2jyc s ARG 86 CO 0.00 -0.56 1.70 0.00 -0.68 0.00 0.00 175.30 175.76 2jyc n ALA 87 N -2.48 1.82 0.37 2.13 0.00 -1.26 -1.42 120.51 119.68 2jyc n ALA 87 Ca 0.03 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.59 2jyc n ALA 87 Cb 0.57 -1.39 0.23 0.00 0.00 0.00 0.00 19.45 18.87 2jyc n ALA 87 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jyc n SER 88 N -2.10 2.78 -4.93 0.00 2.88 -1.26 -4.92 113.62 106.07 2jyc n SER 88 Ca 0.03 -1.99 -0.25 0.00 -1.33 0.00 0.00 58.87 55.33 2jyc n SER 88 Cb 0.27 -0.34 -0.01 0.00 -0.75 0.00 0.00 64.21 63.38 2jyc n SER 88 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2jyc s HIS 89 N -1.32 3.50 -0.41 0.66 3.76 -0.50 -5.07 115.29 115.91 2jyc s HIS 89 Ca 0.35 0.42 -0.13 0.00 -0.15 0.00 0.00 55.06 55.55 2jyc s HIS 89 Cb 0.18 -1.95 0.04 0.00 1.11 0.00 0.00 32.58 31.96 2jyc s HIS 89 CO 0.24 0.11 0.27 0.15 -0.85 0.00 0.00 174.74 174.66 2jyc s LYS 90 N -4.21 2.87 0.32 1.40 3.01 -1.26 -4.96 119.74 116.91 2jyc s LYS 90 Ca 0.41 -1.15 -0.29 0.00 -1.01 0.00 0.00 55.97 53.93 2jyc s LYS 90 Cb -0.10 -3.88 -0.11 0.00 -1.01 0.00 0.00 37.83 32.73 2jyc s LYS 90 CO 0.36 -0.80 1.48 -1.25 0.51 0.00 0.00 175.35 175.65 2jyc s PRO 91 N 1.59 4.18 0.27 -1.68 0.04 -1.26 -4.92 135.00 133.23 2jyc s PRO 91 Ca 0.03 2.47 0.08 0.00 0.04 0.00 0.00 61.00 63.63 2jyc s PRO 91 Cb -0.20 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 2jyc s PRO 91 CO 0.07 -0.49 0.13 0.95 0.04 0.00 0.00 177.00 177.70 2jyc s THR 92 N -0.62 3.88 0.11 1.26 -4.23 -1.26 -4.86 115.64 109.92 2jyc s THR 92 Ca 0.56 -1.61 -0.21 0.00 -1.18 0.00 0.00 61.69 59.25 2jyc s THR 92 Cb -0.45 -3.15 -0.10 0.00 1.34 0.00 0.00 72.50 70.14 2jyc s THR 92 CO 0.54 -0.33 1.74 1.88 -0.54 0.00 0.00 174.62 177.91 2jyc h TYR 93 N 1.61 0.03 -0.17 3.99 0.05 -1.98 -0.08 116.97 120.41 2jyc h TYR 93 Ca -0.46 0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.22 2jyc h TYR 93 Cb 1.25 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.97 2jyc h TYR 93 CO 0.61 0.01 -0.32 0.93 -1.05 0.00 0.00 178.16 178.33 2jyc h GLU 94 N 0.06 0.35 -0.25 4.88 5.08 -1.97 0.50 114.58 123.22 2jyc h GLU 94 Ca 0.04 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 2jyc h GLU 94 Cb 0.03 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2jyc h GLU 94 CO -0.05 0.64 -0.16 -0.91 -1.00 0.00 0.00 179.01 177.52 2jyc h ASN 95 N 0.30 0.58 -0.65 1.42 -0.26 -1.84 -0.97 115.58 114.16 2jyc h ASN 95 Ca 0.04 -0.43 -0.08 0.00 -0.56 0.00 0.00 56.30 55.26 2jyc h ASN 95 Cb 0.72 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.80 2jyc h ASN 95 CO 0.06 0.89 0.09 0.25 -1.06 0.00 0.00 177.43 177.65 2jyc h LEU 96 N 0.28 1.06 -0.40 1.61 5.85 -0.68 -2.41 115.31 120.62 2jyc h LEU 96 Ca 0.05 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.58 2jyc h LEU 96 Cb 0.69 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 2jyc h LEU 96 CO 0.04 1.06 0.01 -0.61 -0.34 0.00 0.00 178.44 178.60 2jyc h GLN 97 N 1.02 0.12 -0.74 1.25 4.15 0.14 -1.26 115.11 119.79 2jyc h GLN 97 Ca 0.20 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.62 2jyc h GLN 97 Cb 0.46 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 2jyc h GLN 97 CO 0.02 0.08 0.49 0.87 -1.93 0.00 0.00 178.83 178.35 2jyc h LYS 98 N 0.12 0.97 -0.83 1.69 1.79 -0.95 -0.15 116.57 119.20 2jyc h LYS 98 Ca 0.20 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.58 2jyc h LYS 98 Cb 0.28 -0.22 -0.04 0.00 -1.58 0.00 0.00 32.23 30.67 2jyc h LYS 98 CO -0.32 0.64 0.39 0.66 -1.08 0.00 0.00 179.45 179.74 2jyc h SER 99 N 1.00 1.09 -0.59 0.86 4.64 -0.85 0.94 113.55 120.64 2jyc h SER 99 Ca 0.27 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 2jyc h SER 99 Cb -0.11 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.67 2jyc h SER 99 CO -0.06 0.93 0.28 -0.07 -0.87 0.00 0.00 176.83 177.04 2jyc h LEU 100 N 1.19 0.78 -0.01 5.97 -0.00 -0.78 0.13 115.31 122.58 2jyc h LEU 100 Ca 0.28 -0.14 0.02 0.00 -0.00 0.00 0.00 57.88 58.04 2jyc h LEU 100 Cb 0.13 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.57 2jyc h LEU 100 CO -0.03 0.70 -0.08 -0.33 -0.00 0.00 0.00 178.44 178.69 2jyc h GLU 101 N 0.81 -0.13 -0.94 1.13 4.39 -0.54 0.11 114.58 119.41 2jyc h GLU 101 Ca 0.20 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.95 2jyc h GLU 101 Cb 0.13 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.75 2jyc h GLU 101 CO -0.02 -0.09 0.60 0.00 -1.16 0.00 0.00 179.01 178.34 2jyc h ALA 102 N 0.85 1.25 -0.58 3.43 0.00 -0.62 -1.65 119.26 121.94 2jyc h ALA 102 Ca 0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2jyc h ALA 102 Cb 0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2jyc h ALA 102 CO -0.09 0.45 0.09 1.98 0.00 0.00 0.00 179.25 181.69 2jyc h MET 103 N 1.15 0.93 -0.07 0.00 1.85 -0.19 -2.21 114.93 116.40 2jyc h MET 103 Ca 0.38 -0.23 0.01 0.00 -0.61 0.00 0.00 59.70 59.25 2jyc h MET 103 Cb 0.04 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 31.95 2jyc h MET 103 CO -0.13 0.87 0.02 0.87 -0.40 0.00 0.00 176.91 178.13 2jyc h LYS 104 N 0.88 0.05 -0.51 0.39 1.57 -0.03 -2.42 116.57 116.51 2jyc h LYS 104 Ca 0.18 -0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.06 2jyc h LYS 104 Cb 0.39 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.60 2jyc h LYS 104 CO 0.01 0.03 -0.02 1.03 -0.57 0.00 0.00 179.45 179.94 2jyc h SER 105 N 0.05 -0.25 -0.56 0.86 0.87 -0.92 0.44 113.55 114.04 2jyc h SER 105 Ca 0.03 0.13 -0.11 0.00 -1.23 0.00 0.00 61.79 60.60 2jyc h SER 105 Cb 0.02 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 2jyc h SER 105 CO -0.04 -0.09 -0.09 -0.74 -0.53 0.00 0.00 176.83 175.34 2jyc h HIS 106 N 0.10 1.17 -0.67 2.24 -0.00 -1.32 -2.53 115.15 114.13 2jyc h HIS 106 Ca 0.26 -0.24 -0.03 0.00 -0.00 0.00 0.00 60.37 60.36 2jyc h HIS 106 Cb 0.39 -0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 27.48 2jyc h HIS 106 CO -0.33 1.07 0.29 0.00 -0.00 0.00 0.00 177.93 178.96 2jyc h LEU 108 N 0.95 0.76 -1.44 0.00 3.38 -0.70 0.33 115.31 118.61 2jyc h LEU 108 Ca 0.23 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2jyc h LEU 108 Cb 0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2jyc h LEU 108 CO -0.03 0.63 -0.26 0.11 0.09 0.00 0.00 178.44 178.99 2jyc h LYS 109 N 0.83 0.00 -0.10 1.13 1.57 -0.99 -3.06 116.57 115.95 2jyc h LYS 109 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2jyc h LYS 109 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2jyc h LYS 109 CO -0.04 0.26 0.00 0.09 -0.57 0.00 0.00 179.45 179.19 2jyc n ASN 110 N -3.75 2.05 -2.56 0.86 3.02 -1.00 -4.99 115.26 108.89 2jyc n ASN 110 Ca -0.01 -1.69 -0.16 0.00 -0.03 0.00 0.00 54.58 52.69 2jyc n ASN 110 Cb 0.36 -0.07 0.05 0.00 -0.61 0.00 0.00 39.78 39.52 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 -0.04 3.71 7.41 0.00 0.10 -4.99 105.19 111.50 2jyc n GLY 111 Ca 0.05 -0.06 -0.38 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 5.20 -0.01 1.61 1.01 0.95 -4.92 120.40 121.04 2jyc s VAL 112 Ca 0.39 0.84 0.01 0.00 0.00 0.00 0.00 61.98 63.22 2jyc s VAL 112 Cb -0.17 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2jyc s VAL 112 CO 0.48 0.31 0.69 1.07 0.00 0.00 0.00 175.10 177.66 2jyc n THR 113 N 3.87 0.23 -3.75 3.92 5.66 -1.26 -4.52 114.28 118.43 2jyc n THR 113 Ca -0.08 -0.25 -0.19 0.00 -3.05 0.00 0.00 64.05 60.48 2jyc n THR 113 Cb 0.51 0.78 -0.17 0.00 -1.55 0.00 0.00 70.33 69.90 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 -0.46 0.89 0.04 1.09 1.01 -1.26 -0.65 116.67 117.33 2jyc s ASP 114 Ca 0.01 0.03 0.05 0.00 0.71 0.00 0.00 52.55 53.35 2jyc s ASP 114 Cb 0.01 -0.19 -0.02 0.00 1.01 0.00 0.00 42.92 43.73 2jyc s ASP 114 CO 0.00 -0.19 -0.13 -0.76 0.21 0.00 0.00 175.17 174.30 2jyc s LEU 115 N 1.73 2.18 -0.01 1.23 1.43 0.80 -0.07 118.68 125.98 2jyc s LEU 115 Ca -0.00 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2jyc s LEU 115 Cb -0.12 -0.54 -0.00 0.00 0.03 0.00 0.00 46.19 45.55 2jyc s LEU 115 CO -0.03 0.00 -0.04 -0.94 0.23 0.00 0.00 176.35 175.57 2jyc s SER 116 N -1.19 0.54 0.12 2.29 1.04 0.20 0.62 113.70 117.32 2jyc s SER 116 Ca 0.00 -0.08 -0.09 0.00 0.48 0.00 0.00 55.95 56.26 2jyc s SER 116 Cb -0.08 -0.08 -0.00 0.00 0.10 0.00 0.00 66.02 65.96 2jyc s SER 116 CO 0.01 0.05 0.23 0.00 0.98 0.00 0.00 173.24 174.50 2jyc s MET 117 N -0.04 0.96 0.58 4.02 0.23 -0.11 -0.15 119.30 124.80 2jyc s MET 117 Ca 0.01 -1.04 -0.08 0.00 -1.03 0.00 0.00 55.69 53.55 2jyc s MET 117 Cb -0.03 0.36 -0.02 0.00 -1.53 0.00 0.00 34.83 33.61 2jyc s MET 117 CO -0.00 -0.33 0.93 -1.25 -2.03 0.00 0.00 175.02 172.34 2jyc s PRO 118 N -3.90 3.37 -0.67 3.16 0.04 -1.26 -0.93 135.00 134.81 2jyc s PRO 118 Ca 0.10 0.39 -0.26 0.00 0.04 0.00 0.00 61.00 61.27 2jyc s PRO 118 Cb 0.04 -2.21 -0.12 0.00 0.04 0.00 0.00 34.50 32.26 2jyc s PRO 118 CO -0.07 -0.52 2.42 -2.13 0.04 0.00 0.00 177.00 176.74 2jyc n ARG 119 N -2.58 0.74 -2.86 4.56 0.00 0.23 -4.71 116.66 112.03 2jyc n ARG 119 Ca 0.04 -0.47 -0.43 0.00 -0.00 0.00 0.00 57.85 56.98 2jyc n ARG 119 Cb 0.55 -3.50 -0.02 0.00 0.00 0.00 0.00 32.46 29.50 2jyc n ARG 119 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 2jyc s ILE 120 N 13.37 4.66 -0.77 5.15 -4.36 -1.26 -4.54 121.20 133.45 2jyc s ILE 120 Ca 0.97 -1.78 -0.25 0.00 -0.26 0.00 0.00 60.65 59.33 2jyc s ILE 120 Cb -0.19 -4.88 -0.05 0.00 1.25 0.00 0.00 42.46 38.59 2jyc s ILE 120 CO 0.17 -1.63 2.00 -0.83 0.24 0.00 0.00 174.94 174.90 2jyc s GLY 121 N 3.63 0.03 0.14 6.27 0.00 -1.26 -4.68 107.32 111.45 2jyc s GLY 121 Ca 0.39 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 44.05 2jyc s GLY 121 CO -0.06 3.60 0.00 0.00 0.00 0.00 0.00 173.10 176.64 2jyc h GLY 123 N -0.32 0.06 0.00 0.00 0.00 -1.56 -3.45 103.07 97.81 2jyc h GLY 123 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2jyc h GLY 123 CO 0.02 0.04 0.00 1.47 0.00 0.00 0.00 176.54 178.06 2jyc n LEU 124 N -4.95 0.00 0.00 3.11 -0.00 -1.26 -4.87 117.00 109.02 2jyc n LEU 124 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 2jyc n LEU 124 Cb 0.13 0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 2jyc n LEU 124 CO 0.34 -0.49 0.00 -0.67 -0.00 0.00 0.00 177.39 176.57 2jyc n ASP 125 N -2.47 0.00 -0.26 1.45 2.03 -1.26 -4.99 116.55 111.05 2jyc n ASP 125 Ca 0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 2jyc n ASP 125 Cb 0.00 0.12 0.08 0.00 -0.72 0.00 0.00 41.12 40.60 2jyc n ASP 125 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2jyc h ARG 126 N 0.00 1.13 -6.31 -0.67 9.65 -1.98 -3.38 114.38 112.82 2jyc h ARG 126 Ca 0.00 -0.23 -0.57 0.00 -1.10 0.00 0.00 59.98 58.08 2jyc h ARG 126 Cb 0.00 -0.17 -0.06 0.00 -1.39 0.00 0.00 29.97 28.35 2jyc h ARG 126 CO 0.00 0.95 0.90 -0.48 2.80 0.00 0.00 179.97 184.14 2jyc s LEU 127 N -9.60 3.93 0.34 3.80 2.34 -1.26 -4.98 118.68 113.25 2jyc s LEU 127 Ca -0.12 1.17 -0.14 0.00 0.06 0.00 0.00 54.13 55.09 2jyc s LEU 127 Cb 0.15 -3.54 -0.09 0.00 -0.56 0.00 0.00 46.19 42.16 2jyc s LEU 127 CO 0.84 -0.95 0.75 -1.58 -1.06 0.00 0.00 176.35 174.35 2jyc s GLN 128 N 3.84 3.96 0.31 1.48 0.74 -1.26 -1.56 119.66 127.17 2jyc s GLN 128 Ca 0.50 0.64 0.02 0.00 0.05 0.00 0.00 55.36 56.58 2jyc s GLN 128 Cb -0.15 -2.41 0.58 0.00 1.10 0.00 0.00 33.01 32.13 2jyc s GLN 128 CO 0.18 0.11 1.89 2.35 -0.55 0.00 0.00 175.29 179.28 2jyc h TRP 129 N 2.04 1.02 -1.00 1.67 2.91 -1.89 -1.24 115.95 119.46 2jyc h TRP 129 Ca -0.48 0.03 0.16 0.00 1.13 0.00 0.00 58.89 59.73 2jyc h TRP 129 Cb 1.18 -0.33 -0.10 0.00 -0.51 0.00 0.00 29.16 29.40 2jyc h TRP 129 CO 0.62 0.49 0.62 1.49 -1.03 0.00 0.00 178.44 180.62 2jyc h GLU 130 N 0.96 0.84 0.04 2.65 4.57 -1.96 0.69 114.58 122.38 2jyc h GLU 130 Ca 0.41 -0.05 -0.23 0.00 -1.18 0.00 0.00 59.36 58.32 2jyc h GLU 130 Cb 0.33 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2jyc h GLU 130 CO -0.17 0.56 -1.03 -0.91 -1.18 0.00 0.00 179.01 176.28 2jyc h ASN 131 N 0.86 0.27 -0.07 1.04 2.35 -1.65 -2.62 115.58 115.77 2jyc h ASN 131 Ca 0.54 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.98 2jyc h ASN 131 Cb 0.72 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2jyc h ASN 131 CO -0.33 1.13 -0.18 0.58 -1.65 0.00 0.00 177.43 176.98 2jyc h VAL 132 N 0.08 1.42 -0.23 2.81 2.07 -0.30 -2.26 116.25 119.84 2jyc h VAL 132 Ca -0.07 -1.53 0.06 0.00 0.82 0.00 0.00 66.70 65.98 2jyc h VAL 132 Cb 1.72 2.24 -0.06 0.00 -1.52 0.00 0.00 31.29 33.67 2jyc h VAL 132 CO 0.16 0.43 -0.16 -1.28 0.02 0.00 0.00 177.57 176.74 2jyc h SER 133 N -0.25 -0.52 -0.05 0.57 0.87 0.27 0.11 113.55 114.55 2jyc h SER 133 Ca -0.00 0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2jyc h SER 133 Cb 0.79 0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 2jyc h SER 133 CO 0.04 -0.20 -0.04 0.00 -0.53 0.00 0.00 176.83 176.10 2jyc h ALA 134 N 0.99 0.01 -0.86 6.23 0.00 -1.51 -0.54 119.26 123.58 2jyc h ALA 134 Ca 0.13 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2jyc h ALA 134 Cb 0.35 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2jyc h ALA 134 CO -0.32 -0.52 0.55 1.98 0.00 0.00 0.00 179.25 180.94 2jyc h MET 135 N -0.04 1.02 -0.65 0.00 -1.53 -0.92 0.44 114.93 113.24 2jyc h MET 135 Ca 0.04 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.23 2jyc h MET 135 Cb 0.09 -0.23 -0.03 0.00 -0.55 0.00 0.00 31.60 30.88 2jyc h MET 135 CO -0.08 0.67 0.38 0.82 0.14 0.00 0.00 176.91 178.85 2jyc h ILE 136 N 1.05 1.19 -0.38 1.77 2.04 -0.32 -0.23 117.51 122.63 2jyc h ILE 136 Ca 0.35 -0.45 -0.13 0.00 1.00 0.00 0.00 64.86 65.64 2jyc h ILE 136 Cb 0.05 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 2jyc h ILE 136 CO -0.13 0.21 -0.26 -0.33 0.00 0.00 0.00 178.15 177.63 2jyc h GLU 137 N 0.89 0.80 -0.56 2.37 5.08 0.09 -1.69 114.58 121.56 2jyc h GLU 137 Ca 0.23 -0.35 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2jyc h GLU 137 Cb -0.01 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2jyc h GLU 137 CO -0.04 0.97 0.35 0.93 -1.00 0.00 0.00 179.01 180.23 2jyc h GLU 138 N 0.69 0.69 -0.27 2.33 5.08 0.37 0.21 114.58 123.69 2jyc h GLU 138 Ca 0.09 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2jyc h GLU 138 Cb 0.80 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2jyc h GLU 138 CO 0.07 0.46 0.11 0.28 -1.00 0.00 0.00 179.01 178.92 2jyc h VAL 139 N 0.71 1.17 0.00 3.13 2.07 -0.85 -2.99 116.25 119.49 2jyc h VAL 139 Ca 0.22 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2jyc h VAL 139 Cb -0.02 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2jyc h VAL 139 CO -0.08 0.17 0.00 0.49 0.02 0.00 0.00 177.57 178.17 2jyc n PHE 140 N -4.78 0.78 -0.15 1.57 3.72 -0.65 -3.92 117.46 114.03 2jyc n PHE 140 Ca -0.03 0.23 0.18 0.00 -0.05 0.00 0.00 57.45 57.79 2jyc n PHE 140 Cb 0.12 -0.88 0.56 0.00 -0.94 0.00 0.00 39.48 38.35 2jyc n PHE 140 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2jyc h GLU 141 N 0.00 0.29 -0.03 -1.08 4.81 -0.42 0.92 114.58 119.07 2jyc h GLU 141 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2jyc h GLU 141 Cb 0.67 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2jyc h GLU 141 CO 0.00 0.19 0.00 0.00 -0.73 0.00 0.00 179.01 178.47 2jyc n ALA 142 N -2.56 2.61 -3.46 2.92 0.00 -1.25 -4.84 120.51 113.93 2jyc n ALA 142 Ca 0.15 -0.22 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 2jyc n ALA 142 Cb 0.61 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.59 0.00 -3.48 0.00 -2.24 0.32 -5.12 114.28 103.17 2jyc n THR 143 Ca 0.17 -0.47 -0.28 0.00 -2.27 0.00 0.00 64.05 61.20 2jyc n THR 143 Cb 0.14 0.20 -0.11 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.47 2.35 -0.07 3.42 2.15 -1.26 -4.98 116.67 116.81 2jyc s ASP 144 Ca 0.06 -2.81 0.02 0.00 0.43 0.00 0.00 52.55 50.25 2jyc s ASP 144 Cb 0.00 -0.57 0.02 0.00 -0.30 0.00 0.00 42.92 42.07 2jyc s ASP 144 CO 0.04 -0.22 -0.10 -0.63 -0.17 0.00 0.00 175.17 174.09 2jyc s ILE 145 N 0.29 1.01 0.38 4.11 1.01 -1.26 -4.83 121.20 121.92 2jyc s ILE 145 Ca 0.26 -0.39 -0.19 0.00 0.00 0.00 0.00 60.65 60.33 2jyc s ILE 145 Cb -0.08 -0.96 -0.10 0.00 0.01 0.00 0.00 42.46 41.34 2jyc s ILE 145 CO -0.11 0.33 0.87 -0.54 0.00 0.00 0.00 174.94 175.49 2jyc s LYS 146 N 0.85 4.15 -0.13 2.79 1.02 0.17 -4.92 119.74 123.68 2jyc s LYS 146 Ca -0.11 0.95 -0.01 0.00 0.02 0.00 0.00 55.97 56.82 2jyc s LYS 146 Cb -0.15 -2.30 0.03 0.00 -0.52 0.00 0.00 37.83 34.89 2jyc s LYS 146 CO 0.01 0.05 -0.05 0.42 -0.92 0.00 0.00 175.35 174.87 2jyc s ILE 147 N -2.08 0.95 -0.31 2.17 1.01 -0.34 -0.14 121.20 122.45 2jyc s ILE 147 Ca 0.58 -0.39 -0.08 0.00 0.00 0.00 0.00 60.65 60.76 2jyc s ILE 147 Cb -0.10 -1.08 0.01 0.00 0.01 0.00 0.00 42.46 41.30 2jyc s ILE 147 CO 0.15 0.22 0.12 -0.89 0.00 0.00 0.00 174.94 174.54 2jyc s THR 148 N 1.72 4.22 -0.29 2.92 2.01 0.20 -0.17 115.64 126.26 2jyc s THR 148 Ca 0.03 -0.66 -0.10 0.00 0.31 0.00 0.00 61.69 61.27 2jyc s THR 148 Cb -0.14 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 2jyc s THR 148 CO -0.08 0.02 0.15 -0.69 -0.69 0.00 0.00 174.62 173.33 2jyc s VAL 149 N 1.53 4.80 0.12 3.82 1.01 0.13 -0.93 120.40 130.88 2jyc s VAL 149 Ca 0.03 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 2jyc s VAL 149 Cb -0.18 -3.34 -0.06 0.00 0.00 0.00 0.00 36.38 32.80 2jyc s VAL 149 CO 0.04 0.20 0.47 -0.31 0.00 0.00 0.00 175.10 175.51 2jyc s TYR 150 N 1.67 3.57 -0.24 5.22 1.51 -0.11 -0.14 117.35 128.84 2jyc s TYR 150 Ca 0.06 0.90 -0.21 0.00 -1.01 0.00 0.00 57.07 56.81 2jyc s TYR 150 Cb -0.16 -2.25 -0.02 0.00 -0.11 0.00 0.00 41.96 39.42 2jyc s TYR 150 CO 0.07 0.46 0.65 0.95 -1.11 0.00 0.00 175.55 176.57 2jyc s THR 151 N -1.47 4.98 0.00 -0.71 -4.23 -0.27 0.74 115.64 114.67 2jyc s THR 151 Ca 0.37 1.19 0.00 0.00 -1.18 0.00 0.00 61.69 62.07 2jyc s THR 151 Cb -0.14 -3.95 0.00 0.00 1.34 0.00 0.00 72.50 69.74 2jyc s THR 151 CO 0.19 0.04 0.09 -0.11 -0.54 0.00 0.00 174.62 174.29