#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 1.40 0.00 -1.84 0.00 -1.26 -4.87 121.76 115.18 2jyc s ALA 2 Ca 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 51.96 49.64 2jyc s ALA 2 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.48 2jyc s ALA 2 CO 0.00 -2.03 0.43 0.43 0.00 0.00 0.00 175.76 174.59 2jyc n SER 3 N 3.26 0.00 -4.21 0.00 7.64 -1.26 -4.89 113.62 114.16 2jyc n SER 3 Ca 0.22 -1.03 -0.40 0.00 1.01 0.00 0.00 58.87 58.67 2jyc n SER 3 Cb 0.43 -0.01 -0.09 0.00 -1.01 0.00 0.00 64.21 63.53 2jyc n SER 3 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jyc s SER 4 N -0.03 5.63 -0.37 6.43 0.01 -1.26 -4.95 113.70 119.17 2jyc s SER 4 Ca 0.00 -1.87 0.05 0.00 1.31 0.00 0.00 55.95 55.44 2jyc s SER 4 Cb 0.00 -1.98 0.19 0.00 0.21 0.00 0.00 66.02 64.43 2jyc s SER 4 CO 0.00 -0.65 0.69 -1.48 0.41 0.00 0.00 173.24 172.21 2jyc s LEU 5 N 1.34 -1.36 -1.00 2.44 2.34 -1.26 -4.43 118.68 116.75 2jyc s LEU 5 Ca 0.06 -0.46 -0.12 0.00 0.06 0.00 0.00 54.13 53.67 2jyc s LEU 5 Cb -0.25 1.76 0.24 0.00 -0.56 0.00 0.00 46.19 47.38 2jyc s LEU 5 CO -0.01 -0.18 1.00 0.21 -1.06 0.00 0.00 176.35 176.31 2jyc s ASN 6 N 2.13 7.05 -0.19 1.48 3.84 -1.26 -4.91 114.94 123.08 2jyc s ASN 6 Ca 0.15 -3.12 -0.35 0.00 0.21 0.00 0.00 52.86 49.74 2jyc s ASN 6 Cb -0.04 -2.23 0.14 0.00 -0.55 0.00 0.00 41.25 38.56 2jyc s ASN 6 CO -0.13 -0.47 1.21 -0.70 -2.79 0.00 0.00 177.10 174.22 2jyc s GLU 7 N -0.32 0.31 0.19 0.43 2.56 -1.26 -4.99 118.70 115.61 2jyc s GLU 7 Ca 0.26 -0.11 0.01 0.00 0.00 0.00 0.00 54.97 55.13 2jyc s GLU 7 Cb -0.09 0.14 -0.05 0.00 2.00 0.00 0.00 34.13 36.13 2jyc s GLU 7 CO -0.08 -0.13 0.05 -0.51 -0.56 0.00 0.00 175.26 174.02 2jyc s ASP 8 N -2.18 0.92 0.00 -1.70 1.01 -1.26 -5.18 116.67 108.28 2jyc s ASP 8 Ca 0.09 -1.25 0.00 0.00 0.71 0.00 0.00 52.55 52.10 2jyc s ASP 8 Cb -0.01 0.19 0.00 0.00 1.01 0.00 0.00 42.92 44.11 2jyc s ASP 8 CO -0.05 -0.67 0.00 -0.81 0.21 0.00 0.00 175.17 173.86 2jyc n PRO 9 N -0.27 1.29 -1.05 8.23 -0.04 -1.26 -5.00 135.00 136.91 2jyc n PRO 9 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2jyc n PRO 9 Cb 0.64 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.10 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 0.00 0.00 0.00 0.54 2.13 -1.26 -5.04 120.64 117.01 2jyc n GLU 10 Ca 0.00 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.22 2jyc n GLU 10 Cb 0.00 -0.65 0.00 0.00 0.27 0.00 0.00 31.44 31.06 2jyc n GLU 10 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jyc n GLY 11 N 0.36 -1.17 0.00 8.31 0.00 -1.26 -5.10 105.19 106.32 2jyc n GLY 11 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 0.28 1.61 2.88 -1.26 -5.04 113.62 112.08 2jyc n SER 12 Ca 0.00 -0.98 -0.16 0.00 -1.33 0.00 0.00 58.87 56.40 2jyc n SER 12 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2jyc n SER 12 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2jyc h ARG 13 N 0.00 -0.70 -6.00 -1.46 2.47 -1.92 -3.41 114.38 103.35 2jyc h ARG 13 Ca 0.00 0.05 -0.57 0.00 -1.26 0.00 0.00 59.98 58.19 2jyc h ARG 13 Cb 0.00 0.16 -0.06 0.00 -1.65 0.00 0.00 29.97 28.42 2jyc h ARG 13 CO 0.00 -0.47 0.38 0.42 0.56 0.00 0.00 179.97 180.86 2jyc s ILE 14 N -6.06 4.88 -0.09 2.04 1.01 -1.25 -0.94 121.20 120.79 2jyc s ILE 14 Ca -0.17 1.67 0.04 0.00 0.00 0.00 0.00 60.65 62.20 2jyc s ILE 14 Cb 0.05 -4.15 -0.00 0.00 0.01 0.00 0.00 42.46 38.36 2jyc s ILE 14 CO 0.63 0.05 -0.23 -0.89 0.00 0.00 0.00 174.94 174.50 2jyc s THR 15 N 1.98 2.15 -0.17 2.92 2.01 0.13 -4.99 115.64 119.66 2jyc s THR 15 Ca 0.40 -1.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.27 2jyc s THR 15 Cb -0.17 -1.82 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 2jyc s THR 15 CO 0.14 0.56 0.27 -0.31 -0.69 0.00 0.00 174.62 174.59 2jyc s TYR 16 N 0.24 3.45 -0.05 4.92 2.02 -1.26 -0.19 117.35 126.48 2jyc s TYR 16 Ca -0.15 0.56 0.03 0.00 -0.37 0.00 0.00 57.07 57.14 2jyc s TYR 16 Cb -0.17 -2.32 0.00 0.00 -0.40 0.00 0.00 41.96 39.08 2jyc s TYR 16 CO 0.08 0.24 -0.13 0.08 -1.57 0.00 0.00 175.55 174.25 2jyc s VAL 17 N 0.45 1.16 -0.37 0.71 1.01 0.73 -4.94 120.40 119.16 2jyc s VAL 17 Ca 0.15 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 2jyc s VAL 17 Cb -0.13 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2jyc s VAL 17 CO 0.03 0.35 0.53 -1.59 0.00 0.00 0.00 175.10 174.42 2jyc s LYS 18 N 0.32 3.52 0.00 2.72 -2.85 -1.26 -0.47 119.74 121.72 2jyc s LYS 18 Ca -0.08 -0.25 0.00 0.00 -1.00 0.00 0.00 55.97 54.65 2jyc s LYS 18 Cb -0.12 -3.84 0.00 0.00 -2.06 0.00 0.00 37.83 31.80 2jyc s LYS 18 CO 0.02 -0.72 0.00 0.41 0.10 0.00 0.00 175.35 175.17 2jyc n GLY 19 N 4.86 -0.52 3.80 0.59 0.00 -1.23 -4.96 105.19 107.72 2jyc n GLY 19 Ca -0.04 -0.87 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 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 6.95 0.14 1.61 2.15 -1.26 -4.54 116.67 117.72 2jyc s ASP 20 Ca 0.00 1.13 0.16 0.00 0.43 0.00 0.00 52.55 54.27 2jyc s ASP 20 Cb 0.00 -2.33 -0.07 0.00 -0.30 0.00 0.00 42.92 40.22 2jyc s ASP 20 CO 0.00 0.24 1.06 0.25 -0.17 0.00 0.00 175.17 176.54 2jyc h LEU 21 N 4.95 0.00 0.04 -1.34 7.12 -1.95 -3.38 115.31 120.74 2jyc h LEU 21 Ca -0.49 0.00 -0.25 0.00 0.13 0.00 0.00 57.88 57.27 2jyc h LEU 21 Cb 1.21 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.31 2jyc h LEU 21 CO 0.65 0.58 -1.28 -0.26 -0.13 0.00 0.00 178.44 177.99 2jyc h PHE 22 N 0.00 0.14 -0.25 1.25 -1.00 -2.02 -3.30 116.94 111.77 2jyc h PHE 22 Ca -0.10 -0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.57 2jyc h PHE 22 Cb 1.53 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 41.08 2jyc h PHE 22 CO 0.00 1.11 0.00 0.00 -1.61 0.00 0.00 178.31 177.81 2jyc n ALA 23 N -2.48 2.88 -1.24 2.45 0.00 -1.26 -4.94 120.51 115.93 2jyc n ALA 23 Ca -0.08 -0.69 -0.32 0.00 0.00 0.00 0.00 53.44 52.35 2jyc n ALA 23 Cb 0.99 -1.03 0.09 0.00 0.00 0.00 0.00 19.45 19.51 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 -4.59 1.29 0.40 0.00 0.02 -1.26 -4.95 135.00 125.90 2jyc s PRO 25 Ca 0.64 0.54 0.22 0.00 0.02 0.00 0.00 61.00 62.43 2jyc s PRO 25 Cb -0.20 -1.83 0.67 0.00 0.02 0.00 0.00 34.50 33.16 2jyc s PRO 25 CO 0.52 -2.15 1.72 0.87 -0.33 0.00 0.00 177.00 177.63 2jyc h LYS 26 N -1.47 0.00 0.00 5.54 1.57 -1.92 -2.85 116.57 117.44 2jyc h LYS 26 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2jyc h LYS 26 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 2jyc h LYS 26 CO 0.59 0.28 0.00 1.79 -0.57 0.00 0.00 179.45 181.54 2jyc h THR 27 N 0.00 0.00 -3.56 -0.16 1.35 -1.93 -3.41 112.91 105.20 2jyc h THR 27 Ca -0.00 -0.50 -0.71 0.00 -0.55 0.00 0.00 66.41 64.64 2jyc h THR 27 Cb 0.92 1.43 -0.23 0.00 -1.73 0.00 0.00 68.15 68.54 2jyc h THR 27 CO 0.04 0.00 -0.49 -1.81 -0.25 0.00 0.00 175.52 173.01 2jyc s ASP 28 N -4.86 5.86 0.64 5.36 1.11 -1.08 -4.25 116.67 119.46 2jyc s ASP 28 Ca 0.07 -0.97 -0.11 0.00 0.18 0.00 0.00 52.55 51.72 2jyc s ASP 28 Cb 0.10 -2.07 -0.03 0.00 1.07 0.00 0.00 42.92 42.00 2jyc s ASP 28 CO 0.55 -0.41 1.04 -0.44 1.18 0.00 0.00 175.17 177.09 2jyc s SER 29 N 1.59 6.00 -0.01 0.27 0.01 0.59 -4.70 113.70 117.45 2jyc s SER 29 Ca 0.03 1.41 0.08 0.00 1.31 0.00 0.00 55.95 58.77 2jyc s SER 29 Cb -0.19 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 2jyc s SER 29 CO 0.08 -1.02 -0.25 -0.22 0.41 0.00 0.00 173.24 172.25 2jyc s LEU 30 N -5.26 2.06 0.03 2.44 0.20 -0.94 -0.18 118.68 117.03 2jyc s LEU 30 Ca 0.56 -0.45 0.01 0.00 0.69 0.00 0.00 54.13 54.94 2jyc s LEU 30 Cb -0.11 -1.26 -0.02 0.00 -0.43 0.00 0.00 46.19 44.36 2jyc s LEU 30 CO 0.54 0.30 -0.05 0.00 -0.29 0.00 0.00 176.35 176.84 2jyc s ALA 31 N -0.59 0.35 0.13 5.97 0.00 0.24 0.45 121.76 128.31 2jyc s ALA 31 Ca 0.10 -0.68 -0.26 0.00 0.00 0.00 0.00 51.96 51.12 2jyc s ALA 31 Cb -0.09 0.10 0.08 0.00 0.00 0.00 0.00 23.12 23.20 2jyc s ALA 31 CO -0.01 -0.09 1.04 -3.38 0.00 0.00 0.00 175.76 173.32 2jyc s HIS 32 N -1.42 -0.08 0.11 0.00 -3.43 -0.23 -4.12 115.29 106.13 2jyc s HIS 32 Ca -0.13 -0.20 0.00 0.00 -0.80 0.00 0.00 55.06 53.93 2jyc s HIS 32 Cb -0.10 0.63 -0.04 0.00 -1.43 0.00 0.00 32.58 31.64 2jyc s HIS 32 CO -0.00 -0.73 0.27 0.00 -2.00 0.00 0.00 174.74 172.28 2jyc s ILE 34 N -1.64 0.00 0.48 0.00 -4.36 -0.06 -4.85 121.20 110.78 2jyc s ILE 34 Ca 0.36 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 59.02 2jyc s ILE 34 Cb -0.12 -2.39 0.01 0.00 1.25 0.00 0.00 42.46 41.20 2jyc s ILE 34 CO 0.28 0.00 0.71 -0.94 0.24 0.00 0.00 174.94 175.23 2jyc s SER 35 N -3.12 5.66 0.35 4.36 1.04 -1.26 -2.63 113.70 118.10 2jyc s SER 35 Ca 0.32 0.20 0.11 0.00 0.48 0.00 0.00 55.95 57.07 2jyc s SER 35 Cb 0.03 -1.34 0.64 0.00 0.10 0.00 0.00 66.02 65.46 2jyc s SER 35 CO 0.12 -0.84 1.79 1.05 0.98 0.00 0.00 173.24 176.34 2jyc h GLU 36 N 0.29 0.05 0.00 4.02 -0.00 -0.78 -2.53 114.58 115.62 2jyc h GLU 36 Ca -0.45 -0.02 -0.05 0.00 -0.00 0.00 0.00 59.36 58.84 2jyc h GLU 36 Cb 1.27 -0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.01 2jyc h GLU 36 CO 0.56 0.44 -0.23 0.38 -0.00 0.00 0.00 179.01 180.16 2jyc h ASP 37 N 0.04 0.00 -1.31 3.06 3.04 -1.85 -3.46 116.42 115.95 2jyc h ASP 37 Ca 0.00 0.00 -0.38 0.00 -3.24 0.00 0.00 57.03 53.41 2jyc h ASP 37 Cb 0.71 0.00 -0.12 0.00 -1.04 0.00 0.00 39.33 38.88 2jyc h ASP 37 CO 0.05 0.23 -0.38 0.00 -2.04 0.00 0.00 179.24 177.10 2jyc h ARG 39 N 0.00 0.99 0.00 0.00 3.08 -1.92 -3.45 114.38 113.09 2jyc h ARG 39 Ca -0.40 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.39 2jyc h ARG 39 Cb 1.24 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2jyc h ARG 39 CO 0.55 0.94 0.00 -1.33 -1.07 0.00 0.00 179.97 179.06 2jyc n MET 40 N -4.21 0.00 0.00 0.04 2.81 -1.26 -4.79 117.12 109.71 2jyc n MET 40 Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 2jyc n MET 40 Cb 0.30 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.81 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 1.42 3.32 3.03 0.00 -1.26 -4.82 105.19 106.88 2jyc n GLY 41 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.32 -0.33 0.00 4.61 0.00 -1.26 -4.96 121.76 119.50 2jyc s ALA 42 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2jyc s ALA 42 Cb 0.00 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.85 2jyc s ALA 42 CO 0.00 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.54 2jyc n GLY 43 N -0.19 -0.55 0.32 0.00 0.00 -1.26 -4.19 105.19 99.31 2jyc n GLY 43 Ca -0.11 -1.78 0.20 0.00 0.00 0.00 0.00 46.02 44.33 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 0.13 -0.49 -0.61 2.10 -2.00 -2.61 117.51 114.03 2jyc h ILE 44 Ca 0.00 -0.15 -0.11 0.00 1.08 0.00 0.00 64.86 65.68 2jyc h ILE 44 Cb 0.00 1.12 -0.02 0.00 -1.09 0.00 0.00 36.82 36.84 2jyc h ILE 44 CO 0.00 0.01 -0.14 0.00 -1.08 0.00 0.00 178.15 176.95 2jyc h ALA 45 N 1.99 0.83 -0.10 0.18 0.00 -1.89 -2.70 119.26 117.57 2jyc h ALA 45 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2jyc h ALA 45 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jyc h ALA 45 CO 0.00 0.65 -0.09 -0.24 0.00 0.00 0.00 179.25 179.58 2jyc h VAL 46 N 0.82 1.13 -0.36 0.00 3.04 -1.63 0.11 116.25 119.36 2jyc h VAL 46 Ca 0.13 -0.54 -0.04 0.00 -1.01 0.00 0.00 66.70 65.24 2jyc h VAL 46 Cb 0.68 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 31.09 2jyc h VAL 46 CO 0.05 0.17 0.09 -0.07 -1.01 0.00 0.00 177.57 176.79 2jyc h LEU 47 N 0.15 0.54 -1.28 3.16 3.38 -1.61 -3.03 115.31 116.62 2jyc h LEU 47 Ca 0.03 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 2jyc h LEU 47 Cb 0.25 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2jyc h LEU 47 CO 0.01 0.63 -0.34 -0.26 0.09 0.00 0.00 178.44 178.57 2jyc h PHE 48 N 0.43 0.03 -0.01 1.13 -1.00 -0.87 -0.77 116.94 115.88 2jyc h PHE 48 Ca 0.11 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.92 2jyc h PHE 48 Cb 0.30 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 39.81 2jyc h PHE 48 CO 0.02 0.37 -0.22 -0.22 -1.61 0.00 0.00 178.31 176.64 2jyc h LYS 49 N 0.02 -0.33 0.03 1.51 3.11 -0.74 0.21 116.57 120.39 2jyc h LYS 49 Ca 0.00 0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.86 2jyc h LYS 49 Cb 0.62 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.93 2jyc h LYS 49 CO 0.05 -0.22 -0.01 0.87 -2.81 0.00 0.00 179.45 177.32 2jyc h LYS 50 N -0.34 -0.04 -0.18 1.90 6.56 -1.41 -3.21 116.57 119.84 2jyc h LYS 50 Ca 0.06 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.49 2jyc h LYS 50 Cb 0.43 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.09 2jyc h LYS 50 CO -0.21 0.65 -0.55 0.87 -2.06 0.00 0.00 179.45 178.15 2jyc h LYS 51 N -0.80 0.55 0.00 3.15 1.57 -1.09 -3.23 116.57 116.73 2jyc h LYS 51 Ca -0.00 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.39 2jyc h LYS 51 Cb 0.70 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 2jyc h LYS 51 CO 0.01 0.96 -1.51 1.19 -0.57 0.00 0.00 179.45 179.52 2jyc n PHE 52 N -3.96 0.54 0.00 -1.35 3.01 0.74 -4.96 117.46 111.48 2jyc n PHE 52 Ca -0.03 0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.59 2jyc n PHE 52 Cb 0.61 -0.79 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 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 1.26 1.72 1.83 1.37 0.00 -1.12 -4.83 105.19 105.42 2jyc n GLY 53 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 2jyc n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jyc n GLY 54 N 0.00 1.86 0.10 -0.02 0.00 -1.26 -4.25 105.19 101.62 2jyc n GLY 54 Ca 0.00 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 1.67 1.36 -0.10 1.61 2.07 -1.88 -0.72 116.25 120.25 2jyc h VAL 55 Ca 0.03 -1.22 -0.12 0.00 0.82 0.00 0.00 66.70 66.22 2jyc h VAL 55 Cb 0.70 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 2jyc h VAL 55 CO 0.09 0.34 -0.46 -0.61 0.02 0.00 0.00 177.57 176.96 2jyc h GLN 56 N -0.22 0.24 0.00 1.57 4.15 -1.98 -1.08 115.11 117.80 2jyc h GLN 56 Ca 0.01 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 2jyc h GLN 56 Cb 0.58 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.28 2jyc h GLN 56 CO 0.02 0.66 -0.00 0.93 -1.93 0.00 0.00 178.83 178.50 2jyc h GLU 57 N 0.20 -0.00 -0.21 1.69 5.08 -1.83 0.21 114.58 119.72 2jyc h GLU 57 Ca 0.01 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2jyc h GLU 57 Cb 0.89 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 2jyc h GLU 57 CO 0.07 0.07 -0.13 -0.07 -1.00 0.00 0.00 179.01 177.94 2jyc h LEU 58 N -0.07 -0.44 -0.93 1.33 3.38 -0.77 -0.26 115.31 117.56 2jyc h LEU 58 Ca -0.00 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2jyc h LEU 58 Cb 0.07 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2jyc h LEU 58 CO 0.00 -0.17 0.19 -0.07 0.09 0.00 0.00 178.44 178.48 2jyc h LEU 59 N -0.12 0.91 -1.64 1.67 3.38 -1.06 -2.00 115.31 116.44 2jyc h LEU 59 Ca 0.12 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2jyc h LEU 59 Cb 0.30 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jyc h LEU 59 CO -0.29 0.86 -0.15 0.78 0.09 0.00 0.00 178.44 179.73 2jyc h ASN 60 N 0.94 0.00 0.36 -0.43 2.35 0.09 -2.03 115.58 116.85 2jyc h ASN 60 Ca 0.21 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 2jyc h ASN 60 Cb 0.28 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 2jyc h ASN 60 CO -0.01 0.15 -0.44 1.56 -1.65 0.00 0.00 177.43 177.05 2jyc h GLN 61 N 0.00 0.11 -5.15 0.81 4.20 -0.31 -3.49 115.11 111.27 2jyc h GLN 61 Ca -0.00 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.67 2jyc h GLN 61 Cb 0.48 -0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.16 2jyc h GLN 61 CO 0.02 0.53 -1.38 1.04 -0.67 0.00 0.00 178.83 178.37 2jyc n GLN 62 N -4.01 -4.12 -4.30 1.46 6.02 -0.77 -5.06 117.38 106.62 2jyc n GLN 62 Ca -0.02 3.15 -0.24 0.00 -0.01 0.00 0.00 57.00 59.89 2jyc n GLN 62 Cb 0.48 -4.74 -0.12 0.00 1.02 0.00 0.00 30.24 26.88 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 -0.79 1.15 0.39 -1.09 0.00 -1.26 -5.11 119.74 113.03 2jyc s LYS 63 Ca -0.22 -1.21 0.04 0.00 0.00 0.00 0.00 55.97 54.59 2jyc s LYS 63 Cb 0.01 -1.39 -0.05 0.00 0.00 0.00 0.00 37.83 36.40 2jyc s LYS 63 CO 0.72 0.32 0.05 0.15 0.00 0.00 0.00 175.35 176.59 2jyc s LYS 64 N -2.06 1.85 0.05 1.78 -0.14 -1.26 -4.76 119.74 115.20 2jyc s LYS 64 Ca 0.08 -2.08 -0.30 0.00 -1.36 0.00 0.00 55.97 52.31 2jyc s LYS 64 Cb -0.09 -1.12 -0.09 0.00 -1.68 0.00 0.00 37.83 34.85 2jyc s LYS 64 CO 0.05 -0.22 1.91 -1.54 -0.76 0.00 0.00 175.35 174.79 2jyc s SER 65 N -3.62 6.46 0.00 2.83 1.04 -1.26 -1.58 113.70 117.57 2jyc s SER 65 Ca 0.30 2.67 0.00 0.00 0.48 0.00 0.00 55.95 59.39 2jyc s SER 65 Cb 0.07 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.65 2jyc s SER 65 CO 0.14 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.94 2jyc n GLY 66 N 4.44 1.23 3.61 7.32 0.00 -0.44 -5.01 105.19 116.33 2jyc n GLY 66 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.35 2.08 -0.04 1.61 0.41 -0.61 -2.92 118.70 118.87 2jyc s GLU 67 Ca 0.00 -1.64 0.07 0.00 -0.41 0.00 0.00 54.97 52.99 2jyc s GLU 67 Cb 0.00 -1.98 -0.01 0.00 -1.78 0.00 0.00 34.13 30.36 2jyc s GLU 67 CO 0.00 0.24 -0.25 0.54 -0.49 0.00 0.00 175.26 175.30 2jyc s VAL 68 N -2.45 2.06 -0.03 2.63 0.11 -1.26 -2.07 120.40 119.39 2jyc s VAL 68 Ca 0.33 -1.08 -0.03 0.00 -2.93 0.00 0.00 61.98 58.26 2jyc s VAL 68 Cb -0.03 -1.72 -0.04 0.00 -1.53 0.00 0.00 36.38 33.06 2jyc s VAL 68 CO 0.19 0.57 0.16 0.00 -3.33 0.00 0.00 175.10 172.69 2jyc s ALA 69 N -0.35 3.89 -0.03 1.54 0.00 -0.11 -4.93 121.76 121.77 2jyc s ALA 69 Ca 0.02 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.25 2jyc s ALA 69 Cb -0.12 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.15 2jyc s ALA 69 CO 0.02 0.72 -0.08 0.08 0.00 0.00 0.00 175.76 176.49 2jyc s VAL 70 N -1.25 0.74 -0.00 0.00 1.01 -1.26 -0.50 120.40 119.13 2jyc s VAL 70 Ca 0.24 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 61.98 2jyc s VAL 70 Cb -0.12 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.56 2jyc s VAL 70 CO 0.15 0.24 -0.21 -0.76 0.00 0.00 0.00 175.10 174.52 2jyc s LEU 71 N 0.36 2.07 -0.31 3.92 1.43 -0.75 -4.93 118.68 120.47 2jyc s LEU 71 Ca -0.06 -0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 52.53 2jyc s LEU 71 Cb -0.10 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 2jyc s LEU 71 CO 0.01 0.24 0.17 -0.75 0.23 0.00 0.00 176.35 176.25 2jyc s LYS 72 N -0.64 3.50 -0.04 1.70 2.20 -1.26 0.51 119.74 125.71 2jyc s LYS 72 Ca 0.08 -0.62 0.03 0.00 -0.36 0.00 0.00 55.97 55.10 2jyc s LYS 72 Cb -0.08 -3.61 0.01 0.00 -1.51 0.00 0.00 37.83 32.63 2jyc s LYS 72 CO -0.00 -0.36 -0.10 0.50 -0.36 0.00 0.00 175.35 175.02 2jyc s ARG 73 N 1.66 1.18 0.24 4.03 3.00 0.27 -4.90 118.95 124.44 2jyc s ARG 73 Ca 0.05 -0.35 0.00 0.00 -1.00 0.00 0.00 55.73 54.43 2jyc s ARG 73 Cb -0.17 -1.07 0.00 0.00 0.00 0.00 0.00 34.95 33.72 2jyc s ARG 73 CO 0.08 0.11 0.00 -0.25 0.00 0.00 0.00 175.30 175.23 2jyc n ASP 74 N 3.40 0.00 -0.37 -2.12 8.00 -1.26 -1.20 116.55 123.00 2jyc n ASP 74 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 2jyc n ASP 74 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 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 0.96 3.26 0.44 0.00 -1.26 -5.13 105.19 103.46 2jyc n GLY 75 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 1.17 -0.07 1.61 1.70 -0.34 -4.95 118.95 118.07 2jyc s ARG 76 Ca 0.00 -1.57 -0.11 0.00 -0.47 0.00 0.00 55.73 53.58 2jyc s ARG 76 Cb 0.00 -0.35 -0.05 0.00 -0.57 0.00 0.00 34.95 33.98 2jyc s ARG 76 CO 0.00 -0.12 0.27 0.71 -1.08 0.00 0.00 175.30 175.07 2jyc s TYR 77 N -3.60 3.64 -0.18 5.89 2.02 -1.26 -0.56 117.35 123.30 2jyc s TYR 77 Ca 0.25 0.74 -0.06 0.00 -0.37 0.00 0.00 57.07 57.63 2jyc s TYR 77 Cb 0.06 -2.13 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 2jyc s TYR 77 CO 0.05 0.65 0.02 0.42 -1.57 0.00 0.00 175.55 175.13 2jyc s ILE 78 N -0.91 4.36 -0.23 2.71 -1.09 0.18 -2.21 121.20 124.02 2jyc s ILE 78 Ca 0.19 -0.18 -0.08 0.00 -2.23 0.00 0.00 60.65 58.34 2jyc s ILE 78 Cb -0.14 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.75 2jyc s ILE 78 CO 0.08 0.46 0.10 -0.31 -1.23 0.00 0.00 174.94 174.04 2jyc s TYR 79 N 0.50 3.18 -0.52 3.97 1.51 0.17 -1.81 117.35 124.34 2jyc s TYR 79 Ca 0.00 -0.10 -0.03 0.00 -1.01 0.00 0.00 57.07 55.93 2jyc s TYR 79 Cb -0.13 -2.21 0.14 0.00 -0.11 0.00 0.00 41.96 39.64 2jyc s TYR 79 CO 0.02 -0.12 0.33 0.71 -1.11 0.00 0.00 175.55 175.38 2jyc s TYR 80 N 1.17 3.49 -0.14 2.71 1.51 0.34 -1.06 117.35 125.37 2jyc s TYR 80 Ca 0.05 -2.54 -0.29 0.00 -1.01 0.00 0.00 57.07 53.28 2jyc s TYR 80 Cb -0.14 -3.23 -0.02 0.00 -0.11 0.00 0.00 41.96 38.46 2jyc s TYR 80 CO 0.04 -0.91 1.29 -0.51 -1.11 0.00 0.00 175.55 174.35 2jyc s LEU 81 N 0.54 4.21 -0.54 -1.29 2.01 -0.46 -0.93 118.68 122.22 2jyc s LEU 81 Ca 0.13 1.76 -0.22 0.00 0.01 0.00 0.00 54.13 55.80 2jyc s LEU 81 Cb -0.22 -3.54 0.05 0.00 0.01 0.00 0.00 46.19 42.49 2jyc s LEU 81 CO -0.04 -0.75 0.84 -0.63 1.01 0.00 0.00 176.35 176.78 2jyc s ILE 82 N 3.35 4.54 -0.12 -0.59 -1.09 -0.88 -0.88 121.20 125.53 2jyc s ILE 82 Ca 0.57 0.01 -0.24 0.00 -2.23 0.00 0.00 60.65 58.76 2jyc s ILE 82 Cb -0.23 -4.47 -0.26 0.00 -1.58 0.00 0.00 42.46 35.92 2jyc s ILE 82 CO 0.17 -1.02 0.68 0.71 -1.23 0.00 0.00 174.94 174.24 2jyc h THR 83 N 5.97 1.48 -3.98 2.92 1.35 -1.83 -1.18 112.91 117.64 2jyc h THR 83 Ca -0.27 -2.37 -0.26 0.00 -0.55 0.00 0.00 66.41 62.96 2jyc h THR 83 Cb 1.08 3.06 -0.06 0.00 -1.73 0.00 0.00 68.15 70.50 2jyc h THR 83 CO 1.05 0.60 -0.11 -0.75 -0.25 0.00 0.00 175.52 176.06 2jyc s LYS 84 N -2.33 2.04 0.01 4.72 2.47 -1.26 -4.57 119.74 120.83 2jyc s LYS 84 Ca -0.19 -1.77 -0.13 0.00 -1.56 0.00 0.00 55.97 52.31 2jyc s LYS 84 Cb 0.00 0.48 -0.07 0.00 -1.46 0.00 0.00 37.83 36.78 2jyc s LYS 84 CO 0.72 -0.87 1.05 0.87 0.16 0.00 0.00 175.35 177.28 2jyc h LYS 85 N 2.05 -0.44 -6.70 4.03 1.57 -1.95 -2.48 116.57 112.65 2jyc h LYS 85 Ca -0.29 0.03 -0.50 0.00 -1.87 0.00 0.00 60.65 58.02 2jyc h LYS 85 Cb 1.24 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.66 2jyc h LYS 85 CO 0.39 -0.30 -0.00 1.03 -0.57 0.00 0.00 179.45 180.00 2jyc s ARG 86 N -3.75 3.66 0.27 3.15 1.81 -1.26 -1.53 118.95 121.31 2jyc s ARG 86 Ca -0.07 0.19 0.07 0.00 -1.72 0.00 0.00 55.73 54.20 2jyc s ARG 86 Cb 0.01 -2.50 0.37 0.00 -0.45 0.00 0.00 34.95 32.38 2jyc s ARG 86 CO 0.20 0.04 1.64 0.00 -0.68 0.00 0.00 175.30 176.50 2jyc h ALA 87 N 1.21 1.00 -0.00 2.13 0.00 -1.91 -2.16 119.26 119.53 2jyc h ALA 87 Ca -0.47 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 53.95 2jyc h ALA 87 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2jyc h ALA 87 CO 0.64 0.66 0.00 0.45 0.00 0.00 0.00 179.25 181.00 2jyc n SER 88 N -3.94 0.02 -4.80 0.00 2.88 -1.26 -4.77 113.62 101.75 2jyc n SER 88 Ca -0.02 -1.04 -0.37 0.00 -1.33 0.00 0.00 58.87 56.11 2jyc n SER 88 Cb 0.55 -0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.95 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 -2.00 3.72 0.09 0.66 3.76 -0.81 -5.05 115.29 115.67 2jyc s HIS 89 Ca 0.46 1.56 -0.21 0.00 -0.15 0.00 0.00 55.06 56.72 2jyc s HIS 89 Cb 0.21 -2.74 -0.07 0.00 1.11 0.00 0.00 32.58 31.09 2jyc s HIS 89 CO 0.36 0.34 0.62 0.15 -0.85 0.00 0.00 174.74 175.36 2jyc s LYS 90 N -1.80 4.30 0.64 1.40 3.01 -1.26 -4.87 119.74 121.15 2jyc s LYS 90 Ca 0.43 0.84 -0.17 0.00 -1.01 0.00 0.00 55.97 56.07 2jyc s LYS 90 Cb -0.19 -3.25 -0.01 0.00 -1.01 0.00 0.00 37.83 33.37 2jyc s LYS 90 CO 0.23 0.60 1.17 -1.25 0.51 0.00 0.00 175.35 176.62 2jyc s PRO 91 N -1.06 2.77 0.17 -1.68 0.04 -1.26 -4.86 135.00 129.12 2jyc s PRO 91 Ca 0.31 1.67 0.08 0.00 0.04 0.00 0.00 61.00 63.10 2jyc s PRO 91 Cb -0.20 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2jyc s PRO 91 CO 0.21 -1.33 -0.04 0.95 0.04 0.00 0.00 177.00 176.83 2jyc s THR 92 N -1.90 3.55 0.14 1.26 -4.23 -1.26 -5.02 115.64 108.18 2jyc s THR 92 Ca 0.73 -1.47 -0.17 0.00 -1.18 0.00 0.00 61.69 59.60 2jyc s THR 92 Cb -0.27 -2.76 -0.02 0.00 1.34 0.00 0.00 72.50 70.79 2jyc s THR 92 CO 0.37 -0.09 1.78 1.88 -0.54 0.00 0.00 174.62 178.03 2jyc h TYR 93 N 2.86 0.44 -0.04 3.99 -1.99 -1.98 0.63 116.97 120.87 2jyc h TYR 93 Ca -0.47 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.12 2jyc h TYR 93 Cb 1.20 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.77 2jyc h TYR 93 CO 0.63 0.30 -0.63 0.93 -0.00 0.00 0.00 178.16 179.40 2jyc h GLU 94 N 0.44 0.15 -0.19 4.88 5.08 -1.97 0.35 114.58 123.32 2jyc h GLU 94 Ca 0.12 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2jyc h GLU 94 Cb -0.01 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2jyc h GLU 94 CO -0.02 0.73 -0.18 -0.91 -1.00 0.00 0.00 179.01 177.62 2jyc h ASN 95 N 0.11 0.49 -0.65 1.42 4.21 -1.84 -0.57 115.58 118.76 2jyc h ASN 95 Ca -0.01 -0.47 -0.06 0.00 1.21 0.00 0.00 56.30 56.96 2jyc h ASN 95 Cb 1.13 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 38.16 2jyc h ASN 95 CO 0.09 0.86 0.15 0.25 -1.29 0.00 0.00 177.43 177.50 2jyc h LEU 96 N 0.13 0.99 -0.26 1.61 5.85 -0.70 -1.15 115.31 121.77 2jyc h LEU 96 Ca 0.03 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.57 2jyc h LEU 96 Cb 0.72 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 2jyc h LEU 96 CO 0.05 0.97 -0.11 -0.61 -0.34 0.00 0.00 178.44 178.40 2jyc h GLN 97 N 0.96 -0.06 -0.50 1.25 4.15 -0.21 0.28 115.11 120.99 2jyc h GLN 97 Ca 0.20 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.64 2jyc h GLN 97 Cb 0.37 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 2jyc h GLN 97 CO 0.00 -0.04 0.32 -0.22 -1.93 0.00 0.00 178.83 176.96 2jyc h LYS 98 N -0.06 0.63 -0.71 1.69 3.11 -0.82 -0.86 116.57 119.54 2jyc h LYS 98 Ca 0.13 -0.04 -0.06 0.00 -2.81 0.00 0.00 60.65 57.87 2jyc h LYS 98 Cb 0.26 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.32 2jyc h LYS 98 CO -0.30 0.41 0.19 0.66 -2.81 0.00 0.00 179.45 177.61 2jyc h SER 99 N 0.64 1.06 -0.39 4.20 4.64 -0.61 -1.59 113.55 121.49 2jyc h SER 99 Ca 0.19 -0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 2jyc h SER 99 Cb -0.04 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.75 2jyc h SER 99 CO -0.06 1.00 0.16 -0.07 -0.87 0.00 0.00 176.83 177.00 2jyc h LEU 100 N 1.06 0.54 -0.33 5.97 -0.00 -0.59 0.12 115.31 122.08 2jyc h LEU 100 Ca 0.23 -0.16 0.06 0.00 -0.00 0.00 0.00 57.88 58.01 2jyc h LEU 100 Cb 0.34 -0.14 -0.05 0.00 -0.00 0.00 0.00 40.66 40.81 2jyc h LEU 100 CO -0.00 0.55 -0.02 -0.33 -0.00 0.00 0.00 178.44 178.64 2jyc h GLU 101 N 0.49 0.06 -0.08 1.13 4.39 -1.01 0.31 114.58 119.88 2jyc h GLU 101 Ca 0.13 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 2jyc h GLU 101 Cb 0.18 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2jyc h GLU 101 CO -0.01 0.04 0.05 0.00 -1.16 0.00 0.00 179.01 177.93 2jyc h ALA 102 N 1.30 0.10 -0.49 3.43 0.00 -1.07 -1.63 119.26 120.90 2jyc h ALA 102 Ca 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2jyc h ALA 102 Cb 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2jyc h ALA 102 CO -0.28 -0.41 0.25 1.98 0.00 0.00 0.00 179.25 180.78 2jyc h MET 103 N 0.10 0.69 -0.57 0.00 1.85 -0.30 -1.54 114.93 115.16 2jyc h MET 103 Ca 0.03 -0.09 -0.08 0.00 -0.61 0.00 0.00 59.70 58.94 2jyc h MET 103 Cb -0.01 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 31.87 2jyc h MET 103 CO -0.01 0.56 0.02 1.57 -0.40 0.00 0.00 176.91 178.65 2jyc h LYS 104 N 0.64 0.97 -0.46 0.39 5.09 -0.31 -2.41 116.57 120.49 2jyc h LYS 104 Ca 0.17 -0.28 -0.05 0.00 0.09 0.00 0.00 60.65 60.58 2jyc h LYS 104 Cb 0.09 -0.10 -0.02 0.00 0.10 0.00 0.00 32.23 32.30 2jyc h LYS 104 CO -0.02 0.94 0.09 1.03 -2.09 0.00 0.00 179.45 179.40 2jyc h SER 105 N 0.90 0.71 -0.21 7.07 0.87 -0.98 -2.64 113.55 119.27 2jyc h SER 105 Ca 0.17 -0.25 -0.05 0.00 -1.23 0.00 0.00 61.79 60.43 2jyc h SER 105 Cb 0.50 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 2jyc h SER 105 CO 0.02 0.77 -0.01 -0.74 -0.53 0.00 0.00 176.83 176.34 2jyc h HIS 106 N 0.61 0.52 -0.82 2.24 -0.00 -1.13 -2.59 115.15 113.99 2jyc h HIS 106 Ca 0.14 -0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 60.43 2jyc h HIS 106 Cb 0.36 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 27.58 2jyc h HIS 106 CO 0.02 0.52 0.42 0.00 -0.00 0.00 0.00 177.93 178.90 2jyc h LEU 108 N 1.16 1.00 -2.26 0.00 4.07 -1.36 0.34 115.31 118.27 2jyc h LEU 108 Ca 0.29 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.18 2jyc h LEU 108 Cb 0.07 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.56 2jyc h LEU 108 CO -0.04 0.76 -0.05 0.11 -1.08 0.00 0.00 178.44 178.14 2jyc h LYS 109 N 1.16 0.00 -0.00 1.13 1.57 -1.23 -2.61 116.57 116.59 2jyc h LYS 109 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2jyc h LYS 109 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2jyc h LYS 109 CO -0.06 0.05 -0.10 0.09 -0.57 0.00 0.00 179.45 178.86 2jyc n ASN 110 N -3.50 0.87 -2.14 0.86 3.02 -0.90 -5.01 115.26 108.46 2jyc n ASN 110 Ca -0.02 -0.93 -0.11 0.00 -0.03 0.00 0.00 54.58 53.49 2jyc n ASN 110 Cb 0.17 0.47 0.04 0.00 -0.61 0.00 0.00 39.78 39.85 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 0.68 0.13 3.78 7.41 0.00 0.69 -5.02 105.19 112.85 2jyc n GLY 111 Ca 0.02 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.17 5.39 0.00 1.61 1.01 0.87 -4.95 120.40 121.17 2jyc s VAL 112 Ca 0.17 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2jyc s VAL 112 Cb -0.08 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2jyc s VAL 112 CO 0.37 0.49 0.56 1.07 0.00 0.00 0.00 175.10 177.60 2jyc n THR 113 N 2.95 0.23 -3.96 3.92 5.66 -1.26 -4.48 114.28 117.34 2jyc n THR 113 Ca -0.16 -0.25 -0.23 0.00 -3.05 0.00 0.00 64.05 60.36 2jyc n THR 113 Cb 0.53 0.99 -0.17 0.00 -1.55 0.00 0.00 70.33 70.13 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 -0.23 1.51 -0.02 1.09 1.01 -1.26 0.27 116.67 119.03 2jyc s ASP 114 Ca 0.00 -0.15 0.02 0.00 0.71 0.00 0.00 52.55 53.13 2jyc s ASP 114 Cb 0.00 -0.54 0.01 0.00 1.01 0.00 0.00 42.92 43.40 2jyc s ASP 114 CO 0.00 -0.12 -0.06 -0.76 0.21 0.00 0.00 175.17 174.44 2jyc s LEU 115 N 1.52 1.69 -0.10 1.23 1.43 -0.69 -0.30 118.68 123.47 2jyc s LEU 115 Ca -0.01 -0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2jyc s LEU 115 Cb -0.13 -0.41 -0.01 0.00 0.03 0.00 0.00 46.19 45.68 2jyc s LEU 115 CO -0.04 0.02 -0.21 -0.44 0.23 0.00 0.00 176.35 175.91 2jyc s SER 116 N 0.34 3.32 0.03 2.29 0.01 0.74 0.24 113.70 120.66 2jyc s SER 116 Ca -0.04 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.74 2jyc s SER 116 Cb -0.08 -1.33 -0.02 0.00 0.21 0.00 0.00 66.02 64.80 2jyc s SER 116 CO 0.00 0.18 -0.05 0.00 0.41 0.00 0.00 173.24 173.78 2jyc s MET 117 N 0.21 0.39 0.84 12.44 0.23 0.73 -0.59 119.30 133.54 2jyc s MET 117 Ca -0.13 -0.59 -0.11 0.00 -1.03 0.00 0.00 55.69 53.82 2jyc s MET 117 Cb -0.16 -0.11 0.09 0.00 -1.53 0.00 0.00 34.83 33.12 2jyc s MET 117 CO 0.07 0.01 1.09 -1.25 -2.03 0.00 0.00 175.02 172.91 2jyc s PRO 118 N -1.29 1.74 0.00 3.16 0.04 -1.26 -0.98 135.00 136.40 2jyc s PRO 118 Ca -0.11 0.94 0.00 0.00 0.04 0.00 0.00 61.00 61.87 2jyc s PRO 118 Cb -0.09 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2jyc s PRO 118 CO -0.00 -1.94 0.42 2.89 0.04 0.00 0.00 177.00 178.40 2jyc n ARG 119 N -3.69 0.00 -0.40 4.56 -4.01 -0.64 -4.67 116.66 107.80 2jyc n ARG 119 Ca 0.08 0.00 0.38 0.00 -1.04 0.00 0.00 57.85 57.26 2jyc n ARG 119 Cb 0.54 -1.48 0.73 0.00 -3.04 0.00 0.00 32.46 29.22 2jyc n ARG 119 CO 0.00 0.00 0.00 -0.84 -3.04 0.00 0.00 177.63 173.75 2jyc h ILE 120 N 2.83 0.32 -0.39 8.89 3.07 -1.90 -0.29 117.51 130.04 2jyc h ILE 120 Ca 0.00 -0.02 -0.17 0.00 1.55 0.00 0.00 64.86 66.23 2jyc h ILE 120 Cb 0.00 0.27 -0.10 0.00 -0.27 0.00 0.00 36.82 36.72 2jyc h ILE 120 CO 0.42 0.01 0.01 0.61 -1.05 0.00 0.00 178.15 178.14 2jyc n GLY 121 N -1.75 4.65 0.09 0.16 0.00 -1.26 -4.46 105.19 102.62 2jyc n GLY 121 Ca 0.30 -1.17 -0.03 0.00 0.00 0.00 0.00 46.02 45.12 2jyc n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jyc n GLY 123 N 1.39 2.23 3.50 0.00 0.00 -1.26 -4.83 105.19 106.21 2jyc n GLY 123 Ca -0.07 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.04 4.05 -0.17 0.99 1.43 -1.24 -4.93 118.68 117.77 2jyc s LEU 124 Ca 0.46 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 2jyc s LEU 124 Cb 0.24 -2.05 -0.11 0.00 0.03 0.00 0.00 46.19 44.30 2jyc s LEU 124 CO 0.32 -0.13 -0.15 -0.67 0.23 0.00 0.00 176.35 175.94 2jyc n ASP 125 N 5.02 2.65 0.31 2.29 2.03 -1.26 -4.53 116.55 123.06 2jyc n ASP 125 Ca -0.14 -0.09 0.19 0.00 0.52 0.00 0.00 54.79 55.27 2jyc n ASP 125 Cb 0.50 -0.27 1.00 0.00 -0.72 0.00 0.00 41.12 41.63 2jyc n ASP 125 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2jyc h ARG 126 N -0.00 0.00 -6.21 -0.67 -0.00 -2.01 -3.37 114.38 102.12 2jyc h ARG 126 Ca -0.39 0.00 -0.63 0.00 -0.50 0.00 0.00 59.98 58.47 2jyc h ARG 126 Cb 1.60 0.00 -0.29 0.00 0.00 0.00 0.00 29.97 31.27 2jyc h ARG 126 CO -0.06 0.02 -0.86 -0.48 0.00 0.00 0.00 179.97 178.59 2jyc s LEU 127 N -6.51 2.07 -0.13 3.04 2.34 -1.26 -5.12 118.68 113.10 2jyc s LEU 127 Ca -0.03 -0.43 -0.18 0.00 0.06 0.00 0.00 54.13 53.55 2jyc s LEU 127 Cb 0.12 -1.13 -0.04 0.00 -0.56 0.00 0.00 46.19 44.58 2jyc s LEU 127 CO 0.48 0.26 0.45 -1.58 -1.06 0.00 0.00 176.35 174.90 2jyc s GLN 128 N -0.64 4.32 0.41 1.48 0.74 -1.26 -4.76 119.66 119.95 2jyc s GLN 128 Ca 0.09 0.40 0.08 0.00 0.05 0.00 0.00 55.36 55.97 2jyc s GLN 128 Cb -0.09 -3.44 0.88 0.00 1.10 0.00 0.00 33.01 31.46 2jyc s GLN 128 CO -0.00 0.16 2.06 2.35 -0.55 0.00 0.00 175.29 179.30 2jyc h TRP 129 N 6.75 0.48 -0.68 1.67 2.91 -1.81 -0.43 115.95 124.83 2jyc h TRP 129 Ca -0.41 0.01 0.09 0.00 1.13 0.00 0.00 58.89 59.71 2jyc h TRP 129 Cb 1.18 -0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 29.62 2jyc h TRP 129 CO 0.62 0.31 0.45 1.49 -1.03 0.00 0.00 178.44 180.28 2jyc h GLU 130 N 0.51 0.56 0.14 2.65 4.22 -1.94 0.56 114.58 121.29 2jyc h GLU 130 Ca 0.14 -0.03 -0.27 0.00 0.08 0.00 0.00 59.36 59.27 2jyc h GLU 130 Cb -0.04 -0.13 0.03 0.00 0.50 0.00 0.00 28.75 29.11 2jyc h GLU 130 CO -0.03 0.37 -1.15 -0.91 -2.18 0.00 0.00 179.01 175.12 2jyc h ASN 131 N 0.57 0.76 0.22 1.04 2.35 -1.53 -2.95 115.58 116.04 2jyc h ASN 131 Ca 0.31 -0.86 -0.01 0.00 -0.55 0.00 0.00 56.30 55.18 2jyc h ASN 131 Cb 0.44 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2jyc h ASN 131 CO -0.10 1.55 -0.11 0.58 -1.65 0.00 0.00 177.43 177.71 2jyc h VAL 132 N 0.08 0.81 -0.39 2.81 2.07 -0.08 -1.50 116.25 120.05 2jyc h VAL 132 Ca -0.18 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.27 2jyc h VAL 132 Cb 1.86 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 32.46 2jyc h VAL 132 CO 0.22 0.03 0.09 0.77 0.02 0.00 0.00 177.57 178.69 2jyc h SER 133 N -0.35 0.03 -0.93 0.57 4.64 -0.06 0.15 113.55 117.60 2jyc h SER 133 Ca -0.03 0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.40 2jyc h SER 133 Cb 0.27 0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 62.38 2jyc h SER 133 CO 0.05 0.05 0.61 0.00 -0.87 0.00 0.00 176.83 176.67 2jyc h ALA 134 N 1.29 1.43 -0.12 5.18 0.00 -1.36 0.16 119.26 125.85 2jyc h ALA 134 Ca 0.19 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 2jyc h ALA 134 Cb 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2jyc h ALA 134 CO -0.23 0.46 -0.57 1.98 0.00 0.00 0.00 179.25 180.89 2jyc h MET 135 N 1.13 0.37 -0.11 0.00 -1.53 -0.43 0.26 114.93 114.62 2jyc h MET 135 Ca 0.38 -0.24 -0.02 0.00 -3.44 0.00 0.00 59.70 56.38 2jyc h MET 135 Cb 0.07 0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 31.15 2jyc h MET 135 CO -0.12 0.84 -0.01 0.82 0.14 0.00 0.00 176.91 178.57 2jyc h ILE 136 N 0.28 1.26 0.00 1.77 2.04 0.05 -3.00 117.51 119.92 2jyc h ILE 136 Ca 0.00 -0.85 -0.09 0.00 1.00 0.00 0.00 64.86 64.92 2jyc h ILE 136 Cb 1.08 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 2jyc h ILE 136 CO 0.10 0.24 -0.43 -0.33 0.00 0.00 0.00 178.15 177.73 2jyc h GLU 137 N -0.09 0.00 -0.26 2.37 5.08 -0.56 -1.99 114.58 119.12 2jyc h GLU 137 Ca 0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 2jyc h GLU 137 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2jyc h GLU 137 CO 0.01 0.43 -0.34 1.05 -1.00 0.00 0.00 179.01 179.16 2jyc h GLU 138 N 0.00 0.57 -0.19 2.33 4.11 -0.45 0.79 114.58 121.74 2jyc h GLU 138 Ca -0.00 -0.26 -0.17 0.00 0.07 0.00 0.00 59.36 58.99 2jyc h GLU 138 Cb 0.77 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2jyc h GLU 138 CO 0.06 0.84 -0.56 0.28 0.07 0.00 0.00 179.01 179.69 2jyc h VAL 139 N 0.48 1.31 0.00 -1.06 2.07 -1.37 -3.30 116.25 114.39 2jyc h VAL 139 Ca 0.05 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.79 2jyc h VAL 139 Cb 0.82 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2jyc h VAL 139 CO 0.07 0.56 0.00 0.49 0.02 0.00 0.00 177.57 178.71 2jyc n PHE 140 N -4.10 0.82 0.10 1.57 3.72 -0.77 -4.10 117.46 114.70 2jyc n PHE 140 Ca -0.06 0.24 0.06 0.00 -0.05 0.00 0.00 57.45 57.64 2jyc n PHE 140 Cb 0.63 -0.90 0.51 0.00 -0.94 0.00 0.00 39.48 38.78 2jyc n PHE 140 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2jyc h GLU 141 N 0.00 0.34 0.00 -1.08 -0.00 -0.92 -0.99 114.58 111.93 2jyc h GLU 141 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 2jyc h GLU 141 Cb 0.69 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.36 2jyc h GLU 141 CO 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 179.01 179.23 2jyc h ALA 142 N 1.84 1.00 -5.27 1.06 0.00 -1.81 -3.46 119.26 112.63 2jyc h ALA 142 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.75 2jyc h ALA 142 Cb -0.03 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.78 2jyc h ALA 142 CO -0.02 0.00 -0.02 0.25 0.00 0.00 0.00 179.25 179.46 2jyc n THR 143 N -2.46 0.00 0.41 0.00 -2.24 -0.38 -5.03 114.28 104.57 2jyc n THR 143 Ca 0.05 -0.99 0.05 0.00 -2.27 0.00 0.00 64.05 60.88 2jyc n THR 143 Cb 0.45 -0.80 0.01 0.00 -2.10 0.00 0.00 70.33 67.89 2jyc n THR 143 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jyc n ASP 144 N -2.69 1.30 -4.69 3.42 2.03 -1.26 -5.02 116.55 109.64 2jyc n ASP 144 Ca 0.09 -1.15 -0.42 0.00 0.52 0.00 0.00 54.79 53.82 2jyc n ASP 144 Cb 0.32 0.36 -0.03 0.00 -0.72 0.00 0.00 41.12 41.05 2jyc n ASP 144 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jyc s ILE 145 N -1.18 3.48 0.34 5.18 1.01 -1.26 -4.91 121.20 123.87 2jyc s ILE 145 Ca 0.08 0.93 -0.13 0.00 0.00 0.00 0.00 60.65 61.53 2jyc s ILE 145 Cb 0.08 -3.60 -0.08 0.00 0.01 0.00 0.00 42.46 38.87 2jyc s ILE 145 CO 0.21 0.01 0.73 -0.54 0.00 0.00 0.00 174.94 175.35 2jyc s LYS 146 N 2.20 3.93 -0.20 2.79 3.01 0.14 -4.94 119.74 126.67 2jyc s LYS 146 Ca 0.66 0.58 0.01 0.00 -1.01 0.00 0.00 55.97 56.22 2jyc s LYS 146 Cb -0.34 -2.43 0.02 0.00 -1.01 0.00 0.00 37.83 34.07 2jyc s LYS 146 CO 0.28 0.12 -0.17 0.42 0.51 0.00 0.00 175.35 176.51 2jyc s ILE 147 N -2.08 2.18 -0.23 2.17 -1.09 -0.11 -1.71 121.20 120.33 2jyc s ILE 147 Ca 0.53 -1.02 -0.03 0.00 -2.23 0.00 0.00 60.65 57.90 2jyc s ILE 147 Cb -0.10 -1.98 0.01 0.00 -1.58 0.00 0.00 42.46 38.80 2jyc s ILE 147 CO 0.21 0.43 -0.06 -0.89 -1.23 0.00 0.00 174.94 173.41 2jyc s THR 148 N 1.27 3.10 -0.29 2.92 2.01 0.14 -0.70 115.64 124.09 2jyc s THR 148 Ca 0.03 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 2jyc s THR 148 Cb -0.14 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 2jyc s THR 148 CO -0.11 0.32 0.11 -0.69 -0.69 0.00 0.00 174.62 173.57 2jyc s VAL 149 N 1.40 4.37 -0.21 3.82 1.01 0.73 -0.20 120.40 131.33 2jyc s VAL 149 Ca 0.03 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.42 2jyc s VAL 149 Cb -0.15 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 2jyc s VAL 149 CO -0.04 0.15 0.48 -0.31 0.00 0.00 0.00 175.10 175.38 2jyc s TYR 150 N 1.59 3.36 -0.27 5.22 1.51 -0.15 -0.19 117.35 128.41 2jyc s TYR 150 Ca 0.05 0.71 -0.18 0.00 -1.01 0.00 0.00 57.07 56.64 2jyc s TYR 150 Cb -0.17 -2.64 -0.03 0.00 -0.11 0.00 0.00 41.96 39.02 2jyc s TYR 150 CO 0.05 -0.10 0.51 0.95 -1.11 0.00 0.00 175.55 175.85 2jyc s THR 151 N 1.62 5.07 0.00 -0.71 -4.23 0.38 -1.62 115.64 116.15 2jyc s THR 151 Ca 0.22 0.81 0.00 0.00 -1.18 0.00 0.00 61.69 61.54 2jyc s THR 151 Cb -0.15 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 69.85 2jyc s THR 151 CO 0.09 0.06 0.00 -0.11 -0.54 0.00 0.00 174.62 174.12