#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 3.07 0.26 0.62 0.00 -1.26 -4.98 121.76 119.47 2jyc s ALA 2 Ca 0.00 -2.54 -0.30 0.00 0.00 0.00 0.00 51.96 49.12 2jyc s ALA 2 Cb 0.00 -4.27 -0.10 0.00 0.00 0.00 0.00 23.12 18.74 2jyc s ALA 2 CO 0.00 -3.27 1.48 -1.12 0.00 0.00 0.00 175.76 172.85 2jyc s SER 3 N 4.25 6.58 -0.28 0.00 0.01 -1.26 -4.99 113.70 118.01 2jyc s SER 3 Ca 0.39 2.74 0.01 0.00 1.31 0.00 0.00 55.95 60.40 2jyc s SER 3 Cb -0.03 -2.63 0.08 0.00 0.21 0.00 0.00 66.02 63.66 2jyc s SER 3 CO -0.10 -0.76 0.02 -0.44 0.41 0.00 0.00 173.24 172.37 2jyc s SER 4 N 0.40 4.05 0.43 2.44 0.01 -1.25 -4.41 113.70 115.38 2jyc s SER 4 Ca 0.60 -1.51 -0.22 0.00 1.31 0.00 0.00 55.95 56.14 2jyc s SER 4 Cb -0.43 -1.15 -0.09 0.00 0.21 0.00 0.00 66.02 64.55 2jyc s SER 4 CO 0.44 -0.32 1.01 -0.76 0.41 0.00 0.00 173.24 174.02 2jyc s LEU 5 N 1.38 3.99 -0.01 2.44 1.43 0.14 -4.96 118.68 123.09 2jyc s LEU 5 Ca 0.03 1.88 0.01 0.00 -1.03 0.00 0.00 54.13 55.02 2jyc s LEU 5 Cb -0.18 -4.41 0.02 0.00 0.03 0.00 0.00 46.19 41.64 2jyc s LEU 5 CO -0.12 -0.52 0.73 -0.46 0.23 0.00 0.00 176.35 176.21 2jyc n ASN 6 N -0.51 0.52 -4.63 2.29 6.94 -1.26 -4.26 115.26 114.35 2jyc n ASN 6 Ca 0.07 -1.51 -0.43 0.00 -0.02 0.00 0.00 54.58 52.69 2jyc n ASN 6 Cb 0.52 -0.06 -0.03 0.00 -2.36 0.00 0.00 39.78 37.85 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 -0.37 3.76 -0.05 -3.83 2.12 -1.26 -4.95 118.70 114.11 2jyc s GLU 7 Ca 0.02 1.65 -0.24 0.00 0.36 0.00 0.00 54.97 56.76 2jyc s GLU 7 Cb 0.02 -4.05 -0.04 0.00 0.26 0.00 0.00 34.13 30.32 2jyc s GLU 7 CO 0.00 -1.34 0.71 0.34 -0.54 0.00 0.00 175.26 174.43 2jyc s ASP 8 N 4.39 7.02 0.86 -1.70 2.15 -1.26 -5.07 116.67 123.06 2jyc s ASP 8 Ca 0.72 1.22 -0.13 0.00 0.43 0.00 0.00 52.55 54.79 2jyc s ASP 8 Cb -0.25 -2.42 0.12 0.00 -0.30 0.00 0.00 42.92 40.07 2jyc s ASP 8 CO 0.30 -0.10 1.22 -2.16 -0.17 0.00 0.00 175.17 174.26 2jyc s PRO 9 N 0.68 1.52 -0.30 4.34 0.04 -1.26 -5.09 135.00 134.93 2jyc s PRO 9 Ca 0.38 -0.05 -0.18 0.00 0.04 0.00 0.00 61.00 61.18 2jyc s PRO 9 Cb -0.18 -1.91 0.18 0.00 0.04 0.00 0.00 34.50 32.63 2jyc s PRO 9 CO 0.19 -1.87 1.24 -2.00 0.04 0.00 0.00 177.00 174.59 2jyc s GLU 10 N -5.67 0.05 0.00 4.56 2.12 -1.26 -5.12 118.70 113.39 2jyc s GLU 10 Ca 0.66 0.12 0.00 0.00 0.36 0.00 0.00 54.97 56.11 2jyc s GLU 10 Cb -0.09 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.37 2jyc s GLU 10 CO 0.50 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.60 2jyc n GLY 11 N 5.00 0.70 0.23 -1.50 0.00 -1.26 -4.83 105.19 103.53 2jyc n GLY 11 Ca -0.08 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 2jyc n GLY 11 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jyc h SER 12 N 0.00 -0.49 0.00 1.61 0.87 -2.02 -3.45 113.55 110.07 2jyc h SER 12 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2jyc h SER 12 Cb 0.00 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2jyc h SER 12 CO 0.00 -0.30 -0.21 0.54 -0.53 0.00 0.00 176.83 176.33 2jyc n ARG 13 N -3.84 0.00 -3.53 2.24 5.12 -1.26 -4.96 116.66 110.43 2jyc n ARG 13 Ca -0.07 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.47 2jyc n ARG 13 Cb 0.23 -0.20 -0.06 0.00 -1.16 0.00 0.00 32.46 31.27 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 5.08 -0.01 0.55 1.01 -1.24 -0.66 121.20 123.93 2jyc s ILE 14 Ca 0.00 0.78 0.02 0.00 0.00 0.00 0.00 60.65 61.46 2jyc s ILE 14 Cb 0.00 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.78 2jyc s ILE 14 CO 0.00 0.57 -0.08 -0.89 0.00 0.00 0.00 174.94 174.54 2jyc s THR 15 N -0.99 0.67 -0.27 2.92 2.01 -0.60 -4.56 115.64 114.82 2jyc s THR 15 Ca 0.23 -0.33 -0.11 0.00 0.31 0.00 0.00 61.69 61.78 2jyc s THR 15 Cb -0.16 -0.58 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 2jyc s THR 15 CO 0.12 0.20 0.19 -0.31 -0.69 0.00 0.00 174.62 174.14 2jyc s TYR 16 N -0.01 3.25 0.01 4.92 2.02 -1.26 -0.25 117.35 126.02 2jyc s TYR 16 Ca 0.00 0.16 0.03 0.00 -0.37 0.00 0.00 57.07 56.90 2jyc s TYR 16 Cb -0.05 -2.36 -0.01 0.00 -0.40 0.00 0.00 41.96 39.13 2jyc s TYR 16 CO -0.00 -0.11 -0.09 0.08 -1.57 0.00 0.00 175.55 173.86 2jyc s VAL 17 N 1.60 0.74 -0.36 0.71 1.01 0.23 -4.98 120.40 119.35 2jyc s VAL 17 Ca 0.08 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 2jyc s VAL 17 Cb -0.15 -0.65 -0.00 0.00 0.00 0.00 0.00 36.38 35.57 2jyc s VAL 17 CO 0.09 0.08 0.24 -1.59 0.00 0.00 0.00 175.10 173.93 2jyc s LYS 18 N -0.56 3.28 0.26 2.72 -2.85 -1.26 -0.52 119.74 120.81 2jyc s LYS 18 Ca 0.01 -0.79 -0.21 0.00 -1.00 0.00 0.00 55.97 53.98 2jyc s LYS 18 Cb -0.05 -3.82 0.03 0.00 -2.06 0.00 0.00 37.83 31.93 2jyc s LYS 18 CO 0.00 -0.54 0.70 0.20 0.10 0.00 0.00 175.35 175.80 2jyc s GLY 19 N 1.68 -0.14 0.01 0.59 0.00 -1.25 -4.93 107.32 103.28 2jyc s GLY 19 Ca 0.05 -0.23 0.18 0.00 0.00 0.00 0.00 44.72 44.72 2jyc s GLY 19 CO 0.09 -0.08 1.56 1.22 0.00 0.00 0.00 173.10 175.90 2jyc n ASP 20 N -0.45 0.03 0.00 1.64 9.92 -1.26 -4.69 116.55 121.74 2jyc n ASP 20 Ca -0.06 0.51 0.00 0.00 -0.53 0.00 0.00 54.79 54.71 2jyc n ASP 20 Cb 0.60 -0.51 0.00 0.00 -0.64 0.00 0.00 41.12 40.57 2jyc n ASP 20 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2jyc n LEU 21 N -1.53 0.00 0.12 0.64 7.94 -1.26 -4.31 117.00 118.61 2jyc n LEU 21 Ca 0.04 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.06 2jyc n LEU 21 Cb 0.21 0.00 0.48 0.00 0.53 0.00 0.00 43.42 44.64 2jyc n LEU 21 CO 0.16 0.00 0.86 0.49 -1.11 0.00 0.00 177.39 177.79 2jyc n PHE 22 N 0.00 0.79 1.02 1.96 3.72 -1.26 -2.21 117.46 121.48 2jyc n PHE 22 Ca 0.00 0.30 0.10 0.00 -0.05 0.00 0.00 57.45 57.81 2jyc n PHE 22 Cb 0.00 -0.99 0.32 0.00 -0.94 0.00 0.00 39.48 37.87 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 -1.77 2.49 -2.04 4.37 0.00 -1.26 -4.92 120.51 117.39 2jyc n ALA 23 Ca 0.02 -0.62 -0.28 0.00 0.00 0.00 0.00 53.44 52.56 2jyc n ALA 23 Cb 0.25 -1.04 0.02 0.00 0.00 0.00 0.00 19.45 18.68 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 2.86 0.18 0.00 0.02 -1.26 -4.80 135.00 126.94 2jyc s PRO 25 Ca 0.54 1.03 0.17 0.00 0.02 0.00 0.00 61.00 62.76 2jyc s PRO 25 Cb -0.11 -1.98 0.79 0.00 0.02 0.00 0.00 34.50 33.22 2jyc s PRO 25 CO 0.48 -1.16 1.52 0.36 -0.33 0.00 0.00 177.00 177.87 2jyc n LYS 26 N -3.06 0.11 0.14 5.54 -0.00 -1.26 -1.82 118.16 117.80 2jyc n LYS 26 Ca 0.08 0.46 0.13 0.00 -0.00 0.00 0.00 58.31 58.98 2jyc n LYS 26 Cb 0.53 -1.76 0.44 0.00 -0.00 0.00 0.00 35.03 34.25 2jyc n LYS 26 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2jyc h THR 27 N 0.00 0.00 -3.54 0.58 2.02 -1.92 -3.41 112.91 106.64 2jyc h THR 27 Ca 0.00 -0.44 -0.67 0.00 0.77 0.00 0.00 66.41 66.07 2jyc h THR 27 Cb 0.17 1.34 -0.27 0.00 -1.74 0.00 0.00 68.15 67.66 2jyc h THR 27 CO 0.00 0.00 -0.67 -1.81 0.37 0.00 0.00 175.52 173.41 2jyc s ASP 28 N -4.69 4.80 0.84 4.18 1.11 -0.76 -4.48 116.67 117.67 2jyc s ASP 28 Ca 0.07 -0.58 -0.12 0.00 0.18 0.00 0.00 52.55 52.10 2jyc s ASP 28 Cb 0.10 -1.82 0.10 0.00 1.07 0.00 0.00 42.92 42.37 2jyc s ASP 28 CO 0.52 -0.12 1.17 -0.44 1.18 0.00 0.00 175.17 177.49 2jyc s SER 29 N 1.49 4.20 -0.01 0.27 0.01 0.33 -4.75 113.70 115.22 2jyc s SER 29 Ca 0.04 0.84 0.07 0.00 1.31 0.00 0.00 55.95 58.20 2jyc s SER 29 Cb -0.16 -1.35 -0.02 0.00 0.21 0.00 0.00 66.02 64.70 2jyc s SER 29 CO 0.00 -2.11 -0.23 -0.22 0.41 0.00 0.00 173.24 171.10 2jyc s LEU 30 N -5.72 2.05 0.03 2.44 0.20 -0.86 0.17 118.68 116.99 2jyc s LEU 30 Ca 0.63 -0.42 -0.02 0.00 0.69 0.00 0.00 54.13 55.01 2jyc s LEU 30 Cb -0.12 -1.16 -0.02 0.00 -0.43 0.00 0.00 46.19 44.45 2jyc s LEU 30 CO 0.50 0.27 0.01 0.00 -0.29 0.00 0.00 176.35 176.85 2jyc s ALA 31 N -0.55 0.12 0.10 5.97 0.00 -0.01 0.25 121.76 127.65 2jyc s ALA 31 Ca 0.09 -0.67 -0.26 0.00 0.00 0.00 0.00 51.96 51.12 2jyc s ALA 31 Cb -0.09 0.19 0.08 0.00 0.00 0.00 0.00 23.12 23.31 2jyc s ALA 31 CO -0.01 -0.24 1.07 -3.38 0.00 0.00 0.00 175.76 173.21 2jyc s HIS 32 N -2.18 -0.08 -0.15 0.00 -3.43 -0.51 -4.07 115.29 104.86 2jyc s HIS 32 Ca -0.09 -0.18 -0.10 0.00 -0.80 0.00 0.00 55.06 53.90 2jyc s HIS 32 Cb -0.04 0.62 -0.05 0.00 -1.43 0.00 0.00 32.58 31.68 2jyc s HIS 32 CO -0.03 -0.66 0.17 0.00 -2.00 0.00 0.00 174.74 172.21 2jyc s ILE 34 N -0.22 0.30 0.38 0.00 -4.36 0.79 -4.91 121.20 113.18 2jyc s ILE 34 Ca 0.13 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.51 2jyc s ILE 34 Cb -0.12 -2.54 -0.03 0.00 1.25 0.00 0.00 42.46 41.02 2jyc s ILE 34 CO 0.02 0.00 0.60 -0.94 0.24 0.00 0.00 174.94 174.85 2jyc s SER 35 N -3.31 6.22 0.48 4.36 1.04 -1.25 -1.64 113.70 119.59 2jyc s SER 35 Ca 0.37 0.48 0.25 0.00 0.48 0.00 0.00 55.95 57.53 2jyc s SER 35 Cb 0.06 -1.97 1.18 0.00 0.10 0.00 0.00 66.02 65.38 2jyc s SER 35 CO 0.16 -0.39 1.95 1.05 0.98 0.00 0.00 173.24 176.98 2jyc h GLU 36 N 0.63 0.00 -0.00 4.02 -0.00 0.28 -0.56 114.58 118.94 2jyc h GLU 36 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 2jyc h GLU 36 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.97 2jyc h GLU 36 CO 0.61 0.19 -0.39 -3.47 -0.00 0.00 0.00 179.01 175.95 2jyc n ASP 37 N -3.56 0.87 -2.92 3.06 2.03 -1.24 -4.86 116.55 109.94 2jyc n ASP 37 Ca -0.01 -0.69 -0.19 0.00 0.52 0.00 0.00 54.79 54.42 2jyc n ASP 37 Cb 0.33 0.23 0.06 0.00 -0.72 0.00 0.00 41.12 41.02 2jyc n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jyc h ARG 39 N -1.99 1.08 0.00 0.00 2.47 -1.92 -3.46 114.38 110.56 2jyc h ARG 39 Ca -0.46 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.19 2jyc h ARG 39 Cb 1.30 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 2jyc h ARG 39 CO 0.46 0.72 0.00 -1.33 0.56 0.00 0.00 179.97 180.38 2jyc n MET 40 N -4.51 0.00 0.00 0.04 2.81 -1.26 -4.83 117.12 109.37 2jyc n MET 40 Ca 0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 2jyc n MET 40 Cb 0.02 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.53 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 0.85 3.57 3.03 0.00 -1.26 -4.82 105.19 106.56 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 -0.17 -0.09 0.00 4.61 0.00 -1.26 -4.98 121.76 119.86 2jyc s ALA 42 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2jyc s ALA 42 Cb 0.00 1.08 0.00 0.00 0.00 0.00 0.00 23.12 24.20 2jyc s ALA 42 CO 0.00 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.33 2jyc n GLY 43 N -0.41 -0.31 0.24 0.00 0.00 -1.26 -3.65 105.19 99.80 2jyc n GLY 43 Ca -0.01 -1.07 0.16 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.03 -0.61 2.10 -1.99 -3.06 117.51 113.92 2jyc h ILE 44 Ca 0.00 -0.52 -0.05 0.00 1.08 0.00 0.00 64.86 65.37 2jyc h ILE 44 Cb 0.00 1.48 -0.01 0.00 -1.09 0.00 0.00 36.82 37.20 2jyc h ILE 44 CO 0.00 0.00 -0.21 0.00 -1.08 0.00 0.00 178.15 176.86 2jyc h ALA 45 N 2.07 1.58 -0.36 0.18 0.00 -1.93 -0.67 119.26 120.13 2jyc h ALA 45 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 2jyc h ALA 45 Cb 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2jyc h ALA 45 CO 0.00 0.31 -0.03 0.28 0.00 0.00 0.00 179.25 179.81 2jyc h VAL 46 N 0.05 1.22 -0.28 0.00 2.07 -1.61 -1.39 116.25 116.31 2jyc h VAL 46 Ca 0.01 -0.90 -0.08 0.00 0.82 0.00 0.00 66.70 66.55 2jyc h VAL 46 Cb 0.41 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2jyc h VAL 46 CO 0.03 0.31 -0.15 -0.07 0.02 0.00 0.00 177.57 177.70 2jyc h LEU 47 N 0.56 0.47 -0.52 2.57 3.38 -1.28 0.28 115.31 120.76 2jyc h LEU 47 Ca 0.11 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 2jyc h LEU 47 Cb 0.40 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2jyc h LEU 47 CO 0.02 0.65 -0.57 -0.26 0.09 0.00 0.00 178.44 178.37 2jyc h PHE 48 N 0.45 0.65 -0.25 1.13 -1.00 -1.01 0.40 116.94 117.31 2jyc h PHE 48 Ca 0.08 -0.24 -0.00 0.00 2.81 0.00 0.00 57.97 60.62 2jyc h PHE 48 Cb 0.53 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 2jyc h PHE 48 CO 0.02 0.96 0.15 -0.22 -1.61 0.00 0.00 178.31 177.60 2jyc h LYS 49 N 0.39 0.34 -0.04 1.51 3.11 -0.78 0.12 116.57 121.22 2jyc h LYS 49 Ca 0.00 -0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 57.81 2jyc h LYS 49 Cb 1.11 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 32.26 2jyc h LYS 49 CO 0.10 0.28 0.02 0.87 -2.81 0.00 0.00 179.45 177.91 2jyc h LYS 50 N 0.31 0.05 0.05 1.90 1.57 -0.74 -1.72 116.57 117.99 2jyc h LYS 50 Ca 0.09 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.72 2jyc h LYS 50 Cb 0.03 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.34 2jyc h LYS 50 CO -0.02 0.11 -0.60 0.87 -0.57 0.00 0.00 179.45 179.24 2jyc h LYS 51 N -0.02 0.33 0.00 3.15 1.79 -0.10 -3.40 116.57 118.31 2jyc h LYS 51 Ca 0.01 -0.41 -0.06 0.00 -2.18 0.00 0.00 60.65 58.02 2jyc h LYS 51 Cb 0.08 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2jyc h LYS 51 CO -0.00 1.12 -1.43 1.19 -1.08 0.00 0.00 179.45 179.25 2jyc n PHE 52 N -4.24 0.00 -1.92 -1.35 3.72 0.34 -5.00 117.46 109.00 2jyc n PHE 52 Ca -0.11 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.13 2jyc n PHE 52 Cb 0.69 -0.26 -0.04 0.00 -0.94 0.00 0.00 39.48 38.93 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 2.24 0.53 1.55 1.37 0.00 -0.65 -4.84 105.19 105.40 2jyc n GLY 53 Ca -0.06 0.00 -0.08 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 -0.58 3.06 0.27 -0.02 0.00 -1.26 -4.27 105.19 102.38 2jyc n GLY 54 Ca -0.17 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 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 0.70 1.27 -0.62 1.61 2.07 -1.93 -1.66 116.25 117.70 2jyc h VAL 55 Ca 0.16 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 2jyc h VAL 55 Cb 1.16 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 2jyc h VAL 55 CO 0.35 0.41 0.18 1.56 0.02 0.00 0.00 177.57 180.09 2jyc h GLN 56 N 0.78 0.97 -0.21 1.57 7.50 -1.99 -0.59 115.11 123.13 2jyc h GLN 56 Ca 0.13 -0.22 -0.03 0.00 0.50 0.00 0.00 58.65 59.03 2jyc h GLN 56 Cb 0.61 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.99 2jyc h GLN 56 CO 0.04 0.87 0.00 0.93 -1.50 0.00 0.00 178.83 179.17 2jyc h GLU 57 N 0.89 0.31 -0.02 1.46 5.08 -1.78 0.50 114.58 121.02 2jyc h GLU 57 Ca 0.20 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2jyc h GLU 57 Cb 0.31 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2jyc h GLU 57 CO -0.00 0.34 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.18 2jyc h LEU 58 N 0.31 0.11 -0.66 1.33 3.38 -0.78 -2.64 115.31 116.36 2jyc h LEU 58 Ca 0.07 -0.67 -0.09 0.00 0.09 0.00 0.00 57.88 57.28 2jyc h LEU 58 Cb 0.20 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2jyc h LEU 58 CO 0.00 0.77 0.04 -0.07 0.09 0.00 0.00 178.44 179.27 2jyc h LEU 59 N -0.54 1.05 -1.24 1.67 3.38 -0.65 -2.19 115.31 116.79 2jyc h LEU 59 Ca -0.01 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 2jyc h LEU 59 Cb 0.77 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2jyc h LEU 59 CO 0.02 1.08 -0.38 0.78 0.09 0.00 0.00 178.44 180.03 2jyc h ASN 60 N 0.99 0.00 1.07 -0.43 2.35 -0.11 -1.26 115.58 118.19 2jyc h ASN 60 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2jyc h ASN 60 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2jyc h ASN 60 CO 0.02 0.38 0.00 0.00 -1.65 0.00 0.00 177.43 176.18 2jyc n GLN 61 N -4.02 0.12 -3.38 0.81 6.02 -0.99 -4.98 117.38 110.96 2jyc n GLN 61 Ca -0.02 0.16 -0.26 0.00 -0.01 0.00 0.00 57.00 56.88 2jyc n GLN 61 Cb 0.42 -1.65 0.03 0.00 1.02 0.00 0.00 30.24 30.05 2jyc n GLN 61 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2jyc n GLN 62 N -1.86 -1.44 -4.60 -1.09 7.27 -0.48 -5.01 117.38 110.17 2jyc n GLN 62 Ca 0.05 1.26 -0.30 0.00 0.07 0.00 0.00 57.00 58.08 2jyc n GLN 62 Cb 0.34 -1.84 -0.13 0.00 2.41 0.00 0.00 30.24 31.02 2jyc n GLN 62 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2jyc s LYS 63 N -1.99 1.90 0.45 3.69 -0.14 -1.26 -5.09 119.74 117.30 2jyc s LYS 63 Ca 0.26 -1.08 0.05 0.00 -1.36 0.00 0.00 55.97 53.83 2jyc s LYS 63 Cb -0.03 -2.11 -0.05 0.00 -1.68 0.00 0.00 37.83 33.96 2jyc s LYS 63 CO 0.60 0.51 0.01 0.15 -0.76 0.00 0.00 175.35 175.86 2jyc s LYS 64 N -1.61 2.04 -0.34 1.68 -0.14 -1.26 -4.80 119.74 115.31 2jyc s LYS 64 Ca 0.15 -2.22 -0.30 0.00 -1.36 0.00 0.00 55.97 52.23 2jyc s LYS 64 Cb -0.10 -1.55 -0.08 0.00 -1.68 0.00 0.00 37.83 34.42 2jyc s LYS 64 CO 0.06 -0.19 2.27 0.43 -0.76 0.00 0.00 175.35 177.16 2jyc n SER 65 N -1.08 2.58 0.00 2.83 7.64 -1.26 -0.18 113.62 124.15 2jyc n SER 65 Ca -0.11 0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2jyc n SER 65 Cb 0.67 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 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 6.12 1.42 3.57 0.23 0.00 -0.50 -4.90 105.19 111.13 2jyc n GLY 66 Ca 0.37 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 1.98 -0.03 1.61 2.02 0.74 -3.74 118.70 121.28 2jyc s GLU 67 Ca 0.00 -1.69 0.07 0.00 0.02 0.00 0.00 54.97 53.37 2jyc s GLU 67 Cb 0.00 -1.91 -0.02 0.00 0.10 0.00 0.00 34.13 32.30 2jyc s GLU 67 CO 0.00 0.25 -0.24 0.54 0.02 0.00 0.00 175.26 175.83 2jyc s VAL 68 N -2.48 1.94 -0.12 2.63 0.11 -1.26 -2.26 120.40 118.95 2jyc s VAL 68 Ca 0.32 -1.04 -0.06 0.00 -2.93 0.00 0.00 61.98 58.28 2jyc s VAL 68 Cb -0.03 -1.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 2jyc s VAL 68 CO 0.18 0.55 0.08 0.00 -3.33 0.00 0.00 175.10 172.58 2jyc s ALA 69 N -0.48 3.61 -0.05 1.54 0.00 -0.37 -4.96 121.76 121.05 2jyc s ALA 69 Ca 0.07 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.36 2jyc s ALA 69 Cb -0.10 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.19 2jyc s ALA 69 CO 0.00 0.51 -0.21 0.08 0.00 0.00 0.00 175.76 176.14 2jyc s VAL 70 N -0.67 1.72 -0.13 0.00 1.01 -1.26 -0.65 120.40 120.43 2jyc s VAL 70 Ca 0.12 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2jyc s VAL 70 Cb -0.12 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.81 2jyc s VAL 70 CO 0.02 0.49 -0.18 -0.76 0.00 0.00 0.00 175.10 174.67 2jyc s LEU 71 N 0.00 1.88 -0.26 3.92 1.43 -0.37 -4.95 118.68 120.33 2jyc s LEU 71 Ca -0.05 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 2jyc s LEU 71 Cb -0.13 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 2jyc s LEU 71 CO 0.03 0.03 0.32 -0.75 0.23 0.00 0.00 176.35 176.21 2jyc s LYS 72 N 0.99 4.02 -0.13 1.70 2.20 -1.26 0.53 119.74 127.79 2jyc s LYS 72 Ca -0.05 -0.05 -0.03 0.00 -0.36 0.00 0.00 55.97 55.49 2jyc s LYS 72 Cb -0.15 -3.64 0.05 0.00 -1.51 0.00 0.00 37.83 32.58 2jyc s LYS 72 CO -0.03 -0.21 0.03 0.50 -0.36 0.00 0.00 175.35 175.28 2jyc s ARG 73 N 1.87 0.49 0.00 4.03 3.00 -0.21 -5.00 118.95 123.12 2jyc s ARG 73 Ca 0.13 -0.11 0.00 0.00 -1.00 0.00 0.00 55.73 54.75 2jyc s ARG 73 Cb -0.16 -1.52 0.00 0.00 0.00 0.00 0.00 34.95 33.27 2jyc s ARG 73 CO 0.10 -0.50 0.00 -0.25 0.00 0.00 0.00 175.30 174.65 2jyc n ASP 74 N 5.14 0.00 0.00 -2.12 8.00 -1.26 -1.44 116.55 124.88 2jyc n ASP 74 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 2jyc n ASP 74 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 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 0.74 3.41 0.44 0.00 -1.26 -5.09 105.19 103.42 2jyc n GLY 75 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2jyc n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jyc s ARG 76 N 0.00 1.50 -0.22 1.61 0.52 -0.52 -4.74 118.95 117.10 2jyc s ARG 76 Ca 0.00 -1.66 -0.07 0.00 -0.52 0.00 0.00 55.73 53.48 2jyc s ARG 76 Cb 0.00 -1.48 -0.04 0.00 0.52 0.00 0.00 34.95 33.95 2jyc s ARG 76 CO 0.00 0.27 0.07 0.71 0.02 0.00 0.00 175.30 176.37 2jyc s TYR 77 N -2.62 3.16 -0.24 -0.53 1.51 -1.26 -1.05 117.35 116.32 2jyc s TYR 77 Ca 0.26 -0.16 -0.13 0.00 -1.01 0.00 0.00 57.07 56.02 2jyc s TYR 77 Cb -0.03 -2.17 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 2jyc s TYR 77 CO 0.11 -0.11 0.30 0.42 -1.11 0.00 0.00 175.55 175.16 2jyc s ILE 78 N 1.03 5.26 -0.30 2.71 -1.09 0.19 -2.03 121.20 126.97 2jyc s ILE 78 Ca 0.04 0.45 -0.09 0.00 -2.23 0.00 0.00 60.65 58.83 2jyc s ILE 78 Cb -0.14 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.10 2jyc s ILE 78 CO 0.03 0.26 0.13 -0.31 -1.23 0.00 0.00 174.94 173.82 2jyc s TYR 79 N 1.45 3.16 -0.55 3.97 1.51 0.14 -1.24 117.35 125.79 2jyc s TYR 79 Ca 0.13 -0.55 -0.13 0.00 -1.01 0.00 0.00 57.07 55.51 2jyc s TYR 79 Cb -0.15 -2.32 0.14 0.00 -0.11 0.00 0.00 41.96 39.52 2jyc s TYR 79 CO 0.08 -0.43 0.48 0.71 -1.11 0.00 0.00 175.55 175.27 2jyc s TYR 80 N 1.61 3.36 -0.22 2.71 1.51 0.18 -1.42 117.35 125.08 2jyc s TYR 80 Ca 0.05 -1.58 -0.29 0.00 -1.01 0.00 0.00 57.07 54.24 2jyc s TYR 80 Cb -0.17 -3.70 -0.00 0.00 -0.11 0.00 0.00 41.96 37.98 2jyc s TYR 80 CO 0.06 -1.01 1.22 -0.51 -1.11 0.00 0.00 175.55 174.20 2jyc s LEU 81 N 1.34 4.08 -0.74 -1.29 1.43 0.40 -1.24 118.68 122.65 2jyc s LEU 81 Ca 0.06 1.48 -0.22 0.00 -1.03 0.00 0.00 54.13 54.42 2jyc s LEU 81 Cb -0.27 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.49 2jyc s LEU 81 CO 0.00 -0.82 1.06 -0.63 0.23 0.00 0.00 176.35 176.19 2jyc s ILE 82 N 3.64 4.32 -0.20 -0.59 -1.09 -0.96 -0.15 121.20 126.19 2jyc s ILE 82 Ca 0.52 -0.56 0.02 0.00 -2.23 0.00 0.00 60.65 58.40 2jyc s ILE 82 Cb -0.19 -4.75 -0.13 0.00 -1.58 0.00 0.00 42.46 35.81 2jyc s ILE 82 CO 0.15 -1.54 -0.17 0.41 -1.23 0.00 0.00 174.94 172.56 2jyc n THR 83 N 5.94 1.13 -4.05 2.92 -1.04 -0.65 -1.41 114.28 117.13 2jyc n THR 83 Ca 0.05 -0.44 -0.33 0.00 -2.04 0.00 0.00 64.05 61.29 2jyc n THR 83 Cb 0.47 -1.19 -0.07 0.00 -1.82 0.00 0.00 70.33 67.72 2jyc n THR 83 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2jyc s LYS 84 N -2.40 3.17 0.00 -2.82 1.02 -1.09 -4.45 119.74 113.17 2jyc s LYS 84 Ca -0.26 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 55.31 2jyc s LYS 84 Cb 0.07 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 2jyc s LYS 84 CO 0.46 0.67 0.02 1.63 -0.92 0.00 0.00 175.35 177.20 2jyc n LYS 85 N 1.23 0.00 -2.44 1.68 5.02 -1.26 -1.32 118.16 121.08 2jyc n LYS 85 Ca -0.13 0.46 -0.26 0.00 -2.02 0.00 0.00 58.31 56.36 2jyc n LYS 85 Cb 0.53 -0.97 0.03 0.00 -0.02 0.00 0.00 35.03 34.60 2jyc n LYS 85 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jyc s ARG 86 N -0.96 2.88 0.40 1.97 1.81 -1.26 -0.97 118.95 122.82 2jyc s ARG 86 Ca 0.00 -0.08 0.10 0.00 -1.72 0.00 0.00 55.73 54.03 2jyc s ARG 86 Cb 0.00 -2.30 0.83 0.00 -0.45 0.00 0.00 34.95 33.04 2jyc s ARG 86 CO 0.00 -0.69 1.95 0.00 -0.68 0.00 0.00 175.30 175.88 2jyc h ALA 87 N -0.15 1.57 -0.22 2.13 0.00 -1.95 -1.49 119.26 119.16 2jyc h ALA 87 Ca -0.45 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2jyc h ALA 87 Cb 1.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2jyc h ALA 87 CO 0.60 0.31 0.00 0.43 0.00 0.00 0.00 179.25 180.59 2jyc n SER 88 N -4.32 1.18 -4.89 0.00 7.64 -1.26 -4.89 113.62 107.07 2jyc n SER 88 Ca -0.00 -2.00 -0.29 0.00 1.01 0.00 0.00 58.87 57.58 2jyc n SER 88 Cb 0.23 -0.15 0.05 0.00 -1.01 0.00 0.00 64.21 63.32 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 -1.71 3.29 0.10 1.43 3.76 -0.56 -5.08 115.29 116.52 2jyc s HIS 89 Ca 0.15 0.95 0.03 0.00 -0.15 0.00 0.00 55.06 56.04 2jyc s HIS 89 Cb 0.08 -3.02 -0.04 0.00 1.11 0.00 0.00 32.58 30.70 2jyc s HIS 89 CO 0.10 -1.14 0.10 -1.59 -0.85 0.00 0.00 174.74 171.37 2jyc s LYS 90 N -5.30 2.94 0.20 1.40 -2.85 -1.26 -4.94 119.74 109.93 2jyc s LYS 90 Ca 0.57 -0.70 -0.30 0.00 -1.00 0.00 0.00 55.97 54.54 2jyc s LYS 90 Cb -0.11 -2.74 -0.08 0.00 -2.06 0.00 0.00 37.83 32.84 2jyc s LYS 90 CO 0.50 0.55 1.07 -1.25 0.10 0.00 0.00 175.35 176.33 2jyc s PRO 91 N -2.56 4.63 0.14 1.78 0.04 -1.26 -4.64 135.00 133.14 2jyc s PRO 91 Ca 0.30 1.69 0.03 0.00 0.04 0.00 0.00 61.00 63.06 2jyc s PRO 91 Cb -0.12 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 2jyc s PRO 91 CO 0.23 0.15 0.25 0.99 0.04 0.00 0.00 177.00 178.65 2jyc s THR 92 N -0.47 5.15 0.25 1.26 2.01 -1.26 -4.97 115.64 117.61 2jyc s THR 92 Ca 0.48 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.68 2jyc s THR 92 Cb -0.29 -3.64 0.21 0.00 0.01 0.00 0.00 72.50 68.79 2jyc s THR 92 CO 0.35 -0.07 1.86 1.88 -0.69 0.00 0.00 174.62 177.95 2jyc h TYR 93 N 2.28 1.18 0.05 4.92 0.05 -1.98 0.53 116.97 124.00 2jyc h TYR 93 Ca -0.48 -0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.27 2jyc h TYR 93 Cb 1.19 -0.38 0.00 0.00 1.01 0.00 0.00 36.73 38.56 2jyc h TYR 93 CO 0.55 0.82 -0.03 1.49 -1.05 0.00 0.00 178.16 179.94 2jyc h GLU 94 N 1.20 -0.07 -0.63 4.88 4.81 -1.99 0.25 114.58 123.04 2jyc h GLU 94 Ca 0.30 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.57 2jyc h GLU 94 Cb 0.04 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 2jyc h GLU 94 CO -0.05 0.24 0.38 -0.91 -0.73 0.00 0.00 179.01 177.94 2jyc h ASN 95 N -0.38 0.60 0.04 1.04 4.21 -1.84 -0.07 115.58 119.18 2jyc h ASN 95 Ca -0.01 0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.51 2jyc h ASN 95 Cb 0.34 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.42 2jyc h ASN 95 CO 0.01 0.41 -0.02 0.25 -1.29 0.00 0.00 177.43 176.80 2jyc h LEU 96 N 0.73 -0.05 -1.05 1.61 5.85 -0.82 -2.04 115.31 119.54 2jyc h LEU 96 Ca 0.26 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 2jyc h LEU 96 Cb 0.06 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2jyc h LEU 96 CO -0.12 0.32 0.32 0.06 -0.34 0.00 0.00 178.44 178.68 2jyc h GLN 97 N -0.42 1.00 -0.83 1.25 3.07 -0.70 -1.47 115.11 117.01 2jyc h GLN 97 Ca -0.01 -0.14 -0.00 0.00 0.09 0.00 0.00 58.65 58.59 2jyc h GLN 97 Cb 0.39 -0.18 -0.04 0.00 0.08 0.00 0.00 27.48 27.72 2jyc h GLN 97 CO 0.01 0.78 0.51 0.87 0.09 0.00 0.00 178.83 181.09 2jyc h LYS 98 N 0.99 1.11 -0.59 0.06 1.57 -0.96 0.15 116.57 118.90 2jyc h LYS 98 Ca 0.24 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.84 2jyc h LYS 98 Cb 0.12 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 2jyc h LYS 98 CO -0.03 0.77 0.00 0.66 -0.57 0.00 0.00 179.45 180.28 2jyc h SER 99 N 1.13 0.99 -0.83 0.86 4.64 -0.65 -0.55 113.55 119.15 2jyc h SER 99 Ca 0.30 -0.27 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 2jyc h SER 99 Cb -0.07 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 61.72 2jyc h SER 99 CO -0.06 1.05 0.37 -0.07 -0.87 0.00 0.00 176.83 177.25 2jyc h LEU 100 N 0.93 1.11 0.09 5.97 -0.00 -0.61 0.36 115.31 123.16 2jyc h LEU 100 Ca 0.17 -0.15 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2jyc h LEU 100 Cb 0.54 -0.29 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 2jyc h LEU 100 CO 0.03 0.96 -0.04 -0.33 -0.00 0.00 0.00 178.44 179.05 2jyc h GLU 101 N 1.20 -0.11 -0.84 1.13 5.08 -0.38 0.16 114.58 120.81 2jyc h GLU 101 Ca 0.28 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.66 2jyc h GLU 101 Cb 0.16 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2jyc h GLU 101 CO -0.03 0.10 0.56 0.00 -1.00 0.00 0.00 179.01 178.63 2jyc h ALA 102 N 0.59 1.42 -0.04 3.43 0.00 -1.01 -2.00 119.26 121.65 2jyc h ALA 102 Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2jyc h ALA 102 Cb 0.26 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2jyc h ALA 102 CO 0.02 0.53 -0.02 1.98 0.00 0.00 0.00 179.25 181.76 2jyc h MET 103 N 1.11 0.09 -0.57 0.00 1.85 -0.67 -2.85 114.93 113.90 2jyc h MET 103 Ca 0.31 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.37 2jyc h MET 103 Cb -0.09 -0.00 -0.03 0.00 0.43 0.00 0.00 31.60 31.91 2jyc h MET 103 CO -0.08 0.45 0.36 1.57 -0.40 0.00 0.00 176.91 178.82 2jyc h LYS 104 N -0.28 0.75 -0.97 0.39 2.10 -0.45 -2.19 116.57 115.92 2jyc h LYS 104 Ca 0.01 -0.05 0.01 0.00 -2.00 0.00 0.00 60.65 58.61 2jyc h LYS 104 Cb 0.42 -0.17 -0.05 0.00 -0.90 0.00 0.00 32.23 31.54 2jyc h LYS 104 CO 0.01 0.51 0.64 1.03 -2.00 0.00 0.00 179.45 179.64 2jyc h SER 105 N 0.76 1.13 -0.03 7.07 0.87 -1.40 -1.95 113.55 120.00 2jyc h SER 105 Ca 0.21 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 2jyc h SER 105 Cb -0.06 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.61 2jyc h SER 105 CO -0.04 0.83 -0.01 -0.74 -0.53 0.00 0.00 176.83 176.34 2jyc h HIS 106 N 1.33 0.06 -0.97 2.24 -0.00 -1.26 -3.13 115.15 113.42 2jyc h HIS 106 Ca 0.36 -0.01 0.14 0.00 -0.00 0.00 0.00 60.37 60.85 2jyc h HIS 106 Cb -0.14 -0.01 -0.08 0.00 -0.00 0.00 0.00 27.41 27.18 2jyc h HIS 106 CO -0.00 0.40 0.61 0.00 -0.00 0.00 0.00 177.93 178.94 2jyc h LEU 108 N 0.88 1.06 -0.25 0.00 3.38 -1.34 0.37 115.31 119.41 2jyc h LEU 108 Ca 0.50 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 58.24 2jyc h LEU 108 Cb 0.62 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2jyc h LEU 108 CO -0.27 0.76 -0.67 0.11 0.09 0.00 0.00 178.44 178.46 2jyc h LYS 109 N 1.24 0.80 0.00 1.13 1.57 -0.96 -3.30 116.57 117.05 2jyc h LYS 109 Ca 0.35 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2jyc h LYS 109 Cb -0.11 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2jyc h LYS 109 CO -0.08 1.20 -1.57 0.27 -0.57 0.00 0.00 179.45 178.71 2jyc n ASN 110 N -3.96 0.35 0.00 0.86 0.23 -1.12 -5.00 115.26 106.62 2jyc n ASN 110 Ca -0.06 -0.05 0.00 0.00 -0.53 0.00 0.00 54.58 53.94 2jyc n ASN 110 Cb 0.69 1.42 0.00 0.00 -2.08 0.00 0.00 39.78 39.81 2jyc n ASN 110 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jyc n GLY 111 N 1.28 1.12 3.47 4.83 0.00 0.13 -5.10 105.19 110.93 2jyc n GLY 111 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 4.24 0.00 1.61 1.01 0.11 -4.92 120.40 120.45 2jyc s VAL 112 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2jyc s VAL 112 Cb 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.43 2jyc s VAL 112 CO 0.00 0.39 0.76 0.35 0.00 0.00 0.00 175.10 176.61 2jyc n THR 113 N 4.45 0.55 -3.69 3.92 -2.24 -1.26 -4.18 114.28 111.83 2jyc n THR 113 Ca -0.17 -0.56 -0.18 0.00 -2.27 0.00 0.00 64.05 60.88 2jyc n THR 113 Cb 0.52 0.75 -0.17 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.55 0.74 0.03 3.42 1.11 -1.26 0.37 116.67 120.52 2jyc s ASP 114 Ca 0.00 0.17 0.04 0.00 0.18 0.00 0.00 52.55 52.94 2jyc s ASP 114 Cb 0.00 0.03 -0.02 0.00 1.07 0.00 0.00 42.92 44.00 2jyc s ASP 114 CO 0.00 -0.22 -0.12 -0.76 1.18 0.00 0.00 175.17 175.25 2jyc s LEU 115 N 1.94 2.14 -0.09 1.23 1.43 -0.91 -0.51 118.68 123.91 2jyc s LEU 115 Ca 0.01 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 2jyc s LEU 115 Cb -0.12 -0.53 0.01 0.00 0.03 0.00 0.00 46.19 45.59 2jyc s LEU 115 CO -0.04 0.03 -0.14 -0.94 0.23 0.00 0.00 176.35 175.48 2jyc s SER 116 N -0.96 2.22 0.03 2.29 1.04 0.13 -0.66 113.70 117.77 2jyc s SER 116 Ca 0.01 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.07 2jyc s SER 116 Cb -0.07 -1.00 -0.02 0.00 0.10 0.00 0.00 66.02 65.04 2jyc s SER 116 CO 0.01 0.02 -0.05 0.00 0.98 0.00 0.00 173.24 174.20 2jyc s MET 117 N 0.86 0.38 0.72 4.02 0.23 0.33 -0.83 119.30 125.02 2jyc s MET 117 Ca -0.10 -0.58 -0.11 0.00 -1.03 0.00 0.00 55.69 53.87 2jyc s MET 117 Cb -0.15 -0.10 0.02 0.00 -1.53 0.00 0.00 34.83 33.07 2jyc s MET 117 CO 0.01 0.01 1.07 -1.25 -2.03 0.00 0.00 175.02 172.83 2jyc s PRO 118 N -1.28 2.70 -0.53 3.16 0.04 -1.26 0.20 135.00 138.03 2jyc s PRO 118 Ca -0.11 0.95 -0.28 0.00 0.04 0.00 0.00 61.00 61.60 2jyc s PRO 118 Cb -0.09 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 2jyc s PRO 118 CO -0.00 -1.26 2.43 2.89 0.04 0.00 0.00 177.00 181.09 2jyc n ARG 119 N -3.24 0.97 -0.01 4.56 1.85 0.57 -4.64 116.66 116.73 2jyc n ARG 119 Ca 0.08 0.07 0.06 0.00 -1.00 0.00 0.00 57.85 57.05 2jyc n ARG 119 Cb 0.54 -3.06 0.33 0.00 -1.05 0.00 0.00 32.46 29.22 2jyc n ARG 119 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 2jyc n ILE 120 N 7.85 0.02 -2.43 8.89 -5.35 -1.26 -4.66 119.36 122.42 2jyc n ILE 120 Ca 0.41 -0.02 -0.40 0.00 -0.27 0.00 0.00 62.75 62.47 2jyc n ILE 120 Cb 0.43 -0.15 -0.03 0.00 -1.74 0.00 0.00 39.64 38.16 2jyc n ILE 120 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2jyc s GLY 121 N -1.35 0.78 0.65 3.28 0.00 -1.26 -4.98 107.32 104.43 2jyc s GLY 121 Ca 0.18 -1.40 -0.03 0.00 0.00 0.00 0.00 44.72 43.46 2jyc s GLY 121 CO 0.14 2.85 0.92 0.00 0.00 0.00 0.00 173.10 177.01 2jyc n GLY 123 N -2.70 3.77 3.13 0.00 0.00 -1.26 -4.78 105.19 103.35 2jyc n GLY 123 Ca 0.09 -1.31 -0.34 0.00 0.00 0.00 0.00 46.02 44.46 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 0.12 4.02 0.63 0.99 2.01 -1.26 -4.98 118.68 120.22 2jyc s LEU 124 Ca 0.63 -1.47 0.39 0.00 0.01 0.00 0.00 54.13 53.69 2jyc s LEU 124 Cb 0.19 -1.68 2.17 0.00 0.01 0.00 0.00 46.19 46.88 2jyc s LEU 124 CO -0.04 -0.29 2.31 0.44 1.01 0.00 0.00 176.35 179.78 2jyc h ASP 125 N 7.91 0.00 0.09 2.29 3.32 -2.03 -0.15 116.42 127.85 2jyc h ASP 125 Ca -0.18 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 2jyc h ASP 125 Cb 1.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 2jyc h ASP 125 CO 0.53 0.01 -0.12 -0.09 -1.72 0.00 0.00 179.24 177.85 2jyc h ARG 126 N 0.00 0.08 -6.14 3.56 9.65 -1.97 -3.42 114.38 116.14 2jyc h ARG 126 Ca -0.00 -0.01 -0.65 0.00 -1.10 0.00 0.00 59.98 58.21 2jyc h ARG 126 Cb 0.05 -0.01 -0.11 0.00 -1.39 0.00 0.00 29.97 28.51 2jyc h ARG 126 CO 0.00 0.20 -0.61 -0.51 2.80 0.00 0.00 179.97 181.85 2jyc s LEU 127 N -8.78 3.70 -0.03 3.80 1.02 -0.07 -5.09 118.68 113.23 2jyc s LEU 127 Ca -0.05 0.02 0.08 0.00 0.02 0.00 0.00 54.13 54.20 2jyc s LEU 127 Cb 0.16 -2.24 -0.02 0.00 0.02 0.00 0.00 46.19 44.11 2jyc s LEU 127 CO 0.70 0.24 -0.25 -1.10 0.02 0.00 0.00 176.35 175.95 2jyc s GLN 128 N -1.92 2.15 0.42 1.70 -0.21 -1.26 -4.80 119.66 115.74 2jyc s GLN 128 Ca 0.24 -0.91 0.11 0.00 0.02 0.00 0.00 55.36 54.82 2jyc s GLN 128 Cb -0.12 -2.03 0.95 0.00 1.00 0.00 0.00 33.01 32.82 2jyc s GLN 128 CO 0.15 0.52 1.98 2.35 -2.12 0.00 0.00 175.29 178.18 2jyc h TRP 129 N 5.60 0.51 -0.79 0.91 2.91 -1.97 -0.12 115.95 122.99 2jyc h TRP 129 Ca -0.41 0.01 0.11 0.00 1.13 0.00 0.00 58.89 59.74 2jyc h TRP 129 Cb 1.13 -0.17 -0.08 0.00 -0.51 0.00 0.00 29.16 29.54 2jyc h TRP 129 CO 0.40 0.26 0.42 1.49 -1.03 0.00 0.00 178.44 179.97 2jyc h GLU 130 N 0.49 0.65 0.02 2.65 4.81 -1.99 0.46 114.58 121.67 2jyc h GLU 130 Ca 0.27 -0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 59.25 2jyc h GLU 130 Cb 0.42 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2jyc h GLU 130 CO -0.08 0.43 -0.95 -0.91 -0.73 0.00 0.00 179.01 176.77 2jyc h ASN 131 N 0.67 0.20 0.13 1.04 2.35 -1.49 -2.54 115.58 115.94 2jyc h ASN 131 Ca 0.40 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 2jyc h ASN 131 Cb 0.46 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2jyc h ASN 131 CO -0.29 1.04 -0.06 0.58 -1.65 0.00 0.00 177.43 177.04 2jyc h VAL 132 N 0.07 1.03 -0.62 2.81 2.07 -0.16 -1.00 116.25 120.45 2jyc h VAL 132 Ca -0.05 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2jyc h VAL 132 Cb 1.63 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.85 2jyc h VAL 132 CO 0.14 0.17 0.40 0.77 0.02 0.00 0.00 177.57 179.07 2jyc h SER 133 N -0.52 0.73 -0.08 0.57 4.64 -0.21 -0.46 113.55 118.22 2jyc h SER 133 Ca -0.02 -0.03 0.02 0.00 -0.47 0.00 0.00 61.79 61.29 2jyc h SER 133 Cb 0.41 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 2jyc h SER 133 CO 0.03 0.54 -0.06 0.00 -0.87 0.00 0.00 176.83 176.47 2jyc h ALA 134 N 1.22 0.01 -0.60 5.18 0.00 -1.44 -0.98 119.26 122.64 2jyc h ALA 134 Ca 0.23 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2jyc h ALA 134 Cb -0.07 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2jyc h ALA 134 CO -0.05 -0.53 0.35 1.98 0.00 0.00 0.00 179.25 181.00 2jyc h MET 135 N -0.07 0.81 -0.68 0.00 -1.53 -0.77 0.25 114.93 112.95 2jyc h MET 135 Ca 0.05 -0.07 -0.03 0.00 -3.44 0.00 0.00 59.70 56.21 2jyc h MET 135 Cb 0.15 -0.17 -0.03 0.00 -0.55 0.00 0.00 31.60 31.00 2jyc h MET 135 CO -0.12 0.58 0.29 0.82 0.14 0.00 0.00 176.91 178.61 2jyc h ILE 136 N 0.82 1.24 -0.44 1.77 2.04 -0.53 0.13 117.51 122.54 2jyc h ILE 136 Ca 0.21 -0.72 -0.10 0.00 1.00 0.00 0.00 64.86 65.25 2jyc h ILE 136 Cb -0.01 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 2jyc h ILE 136 CO -0.04 0.29 -0.15 -0.33 0.00 0.00 0.00 178.15 177.92 2jyc h GLU 137 N 0.95 0.82 -0.61 2.37 5.08 0.17 0.17 114.58 123.53 2jyc h GLU 137 Ca 0.23 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2jyc h GLU 137 Cb 0.18 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2jyc h GLU 137 CO -0.02 0.92 0.11 0.93 -1.00 0.00 0.00 179.01 179.95 2jyc h GLU 138 N 0.73 1.01 -0.10 2.33 5.08 -0.08 0.44 114.58 123.99 2jyc h GLU 138 Ca 0.11 -0.26 -0.16 0.00 -1.00 0.00 0.00 59.36 58.05 2jyc h GLU 138 Cb 0.65 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.79 2jyc h GLU 138 CO 0.05 0.94 -0.54 0.28 -1.00 0.00 0.00 179.01 178.73 2jyc h VAL 139 N 0.92 1.36 0.00 3.13 2.07 -0.53 -3.30 116.25 119.89 2jyc h VAL 139 Ca 0.19 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.85 2jyc h VAL 139 Cb 0.41 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2jyc h VAL 139 CO 0.01 0.56 0.00 -0.26 0.02 0.00 0.00 177.57 177.90 2jyc h PHE 140 N 0.16 0.00 -3.10 1.57 0.04 -0.58 -3.46 116.94 111.57 2jyc h PHE 140 Ca -0.04 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.15 2jyc h PHE 140 Cb 1.19 0.00 0.12 0.00 2.20 0.00 0.00 35.95 39.46 2jyc h PHE 140 CO 0.11 0.00 0.30 -0.85 -0.60 0.00 0.00 178.31 177.27 2jyc n GLU 141 N -2.36 1.65 -1.00 1.51 0.28 0.14 -1.67 120.64 119.19 2jyc n GLU 141 Ca 0.04 0.58 0.00 0.00 -0.16 0.00 0.00 57.16 57.63 2jyc n GLU 141 Cb 0.37 -2.14 0.00 0.00 1.43 0.00 0.00 31.44 31.11 2jyc n GLU 141 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jyc n ALA 142 N -0.10 0.00 -2.53 -1.84 0.00 -1.26 -5.04 120.51 109.74 2jyc n ALA 142 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.26 2jyc n ALA 142 Cb 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.72 2jyc n ALA 142 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jyc s THR 143 N -2.70 2.17 -0.67 0.00 -4.23 -0.67 -5.04 115.64 104.50 2jyc s THR 143 Ca 0.00 -2.20 0.15 0.00 -1.18 0.00 0.00 61.69 58.46 2jyc s THR 143 Cb 0.00 -2.61 0.74 0.00 1.34 0.00 0.00 72.50 71.97 2jyc s THR 143 CO 0.00 -0.22 1.64 0.47 -0.54 0.00 0.00 174.62 175.97 2jyc n ASP 144 N -0.76 5.10 -4.72 3.99 9.92 -1.26 -4.95 116.55 123.86 2jyc n ASP 144 Ca -0.05 -2.68 -0.38 0.00 -0.53 0.00 0.00 54.79 51.14 2jyc n ASP 144 Cb 0.63 -0.63 -0.06 0.00 -0.64 0.00 0.00 41.12 40.43 2jyc n ASP 144 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2jyc s ILE 145 N -2.31 5.16 0.33 0.53 1.01 -1.26 -4.70 121.20 119.97 2jyc s ILE 145 Ca 0.50 1.05 -0.04 0.00 0.00 0.00 0.00 60.65 62.16 2jyc s ILE 145 Cb 0.36 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2jyc s ILE 145 CO 0.19 0.31 0.59 -0.54 0.00 0.00 0.00 174.94 175.49 2jyc s LYS 146 N 0.67 3.59 -0.15 2.79 1.02 0.16 -4.94 119.74 122.88 2jyc s LYS 146 Ca 0.28 -0.04 0.00 0.00 0.02 0.00 0.00 55.97 56.23 2jyc s LYS 146 Cb -0.16 -2.61 0.03 0.00 -0.52 0.00 0.00 37.83 34.58 2jyc s LYS 146 CO 0.12 0.13 -0.11 0.42 -0.92 0.00 0.00 175.35 174.99 2jyc s ILE 147 N -2.24 1.43 -0.23 2.17 -1.09 0.17 -2.15 121.20 119.26 2jyc s ILE 147 Ca 0.44 -0.63 -0.02 0.00 -2.23 0.00 0.00 60.65 58.20 2jyc s ILE 147 Cb -0.10 -1.42 0.02 0.00 -1.58 0.00 0.00 42.46 39.38 2jyc s ILE 147 CO 0.34 0.35 -0.07 -0.89 -1.23 0.00 0.00 174.94 173.44 2jyc s THR 148 N 1.53 2.92 -0.27 2.92 2.01 0.16 -1.56 115.64 123.35 2jyc s THR 148 Ca 0.03 -0.87 -0.10 0.00 0.31 0.00 0.00 61.69 61.06 2jyc s THR 148 Cb -0.14 -2.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 2jyc s THR 148 CO -0.09 0.30 0.17 -0.69 -0.69 0.00 0.00 174.62 173.61 2jyc s VAL 149 N 1.36 5.21 -0.22 3.82 1.01 0.65 -0.51 120.40 131.73 2jyc s VAL 149 Ca 0.02 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.03 2jyc s VAL 149 Cb -0.16 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2jyc s VAL 149 CO -0.05 0.28 0.18 -0.31 0.00 0.00 0.00 175.10 175.20 2jyc s TYR 150 N 1.59 3.36 -0.26 5.22 1.51 0.13 -0.60 117.35 128.30 2jyc s TYR 150 Ca 0.07 0.32 -0.17 0.00 -1.01 0.00 0.00 57.07 56.28 2jyc s TYR 150 Cb -0.15 -2.26 -0.03 0.00 -0.11 0.00 0.00 41.96 39.40 2jyc s TYR 150 CO 0.09 0.14 0.49 0.95 -1.11 0.00 0.00 175.55 176.11 2jyc s THR 151 N 0.83 5.09 0.00 -0.71 -4.23 0.32 -0.31 115.64 116.63 2jyc s THR 151 Ca 0.09 0.83 0.00 0.00 -1.18 0.00 0.00 61.69 61.43 2jyc s THR 151 Cb -0.13 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 69.91 2jyc s THR 151 CO 0.03 0.10 0.37 0.18 -0.54 0.00 0.00 174.62 174.76