#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kta s TYR 3 N 0.00 0.05 -0.23 6.00 1.13 -1.00 -4.97 117.35 118.34 3kta s TYR 3 Ca 0.00 -0.41 -0.27 0.00 -1.41 0.00 0.00 57.07 54.98 3kta s TYR 3 Cb 0.00 0.13 0.00 0.00 -1.10 0.00 0.00 41.96 40.99 3kta s TYR 3 CO 0.00 -0.71 0.94 0.42 -2.51 0.00 0.00 175.55 173.69 3kta s ILE 4 N -3.87 4.76 -0.07 -3.49 1.01 -1.26 -0.08 121.20 118.20 3kta s ILE 4 Ca 0.08 1.81 -0.19 0.00 0.00 0.00 0.00 60.65 62.35 3kta s ILE 4 Cb 0.02 -4.22 -0.30 0.00 0.01 0.00 0.00 42.46 37.98 3kta s ILE 4 CO -0.07 -0.12 0.75 -0.33 0.00 0.00 0.00 174.94 175.17 3kta h GLU 5 N 7.54 0.28 -2.37 2.79 5.08 -0.42 -3.41 114.58 124.05 3kta h GLU 5 Ca -0.22 -0.47 0.11 0.00 -1.00 0.00 0.00 59.36 57.78 3kta h GLU 5 Cb 1.08 0.18 -0.13 0.00 0.50 0.00 0.00 28.75 30.38 3kta h GLU 5 CO 0.92 1.23 0.46 -1.59 -1.00 0.00 0.00 179.01 179.03 3kta s LYS 6 N -2.45 0.96 0.10 2.33 -2.85 -1.21 -1.61 119.74 115.02 3kta s LYS 6 Ca -0.16 -0.41 0.07 0.00 -1.00 0.00 0.00 55.97 54.46 3kta s LYS 6 Cb 0.02 0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 3kta s LYS 6 CO 0.80 -0.43 -0.07 -0.51 0.10 0.00 0.00 175.35 175.24 3kta s LEU 7 N -2.62 3.15 -0.15 2.77 1.43 0.12 -1.21 118.68 122.17 3kta s LEU 7 Ca 0.06 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 3kta s LEU 7 Cb -0.01 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.31 3kta s LEU 7 CO -0.07 0.17 -0.14 -1.61 0.23 0.00 0.00 176.35 174.93 3kta s GLU 8 N -2.26 2.32 -0.14 1.70 2.02 0.12 -0.42 118.70 122.04 3kta s GLU 8 Ca 0.23 -0.58 -0.02 0.00 0.02 0.00 0.00 54.97 54.61 3kta s GLU 8 Cb -0.11 -2.14 -0.02 0.00 0.10 0.00 0.00 34.13 31.95 3kta s GLU 8 CO 0.15 -0.24 -0.07 -0.51 0.02 0.00 0.00 175.26 174.61 3kta s LEU 9 N 1.47 3.10 -0.12 1.80 1.02 0.45 -0.77 118.68 125.64 3kta s LEU 9 Ca 0.05 -0.18 -0.02 0.00 0.02 0.00 0.00 54.13 54.01 3kta s LEU 9 Cb -0.13 -1.73 0.04 0.00 0.02 0.00 0.00 46.19 44.39 3kta s LEU 9 CO -0.11 0.18 -0.01 -0.75 0.02 0.00 0.00 176.35 175.69 3kta s LYS 10 N 0.27 0.84 -1.06 1.70 2.20 0.00 0.22 119.74 123.91 3kta s LYS 10 Ca -0.05 -0.14 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 3kta s LYS 10 Cb -0.14 -1.46 0.00 0.00 -1.51 0.00 0.00 37.83 34.72 3kta s LYS 10 CO 0.04 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.04 3kta n GLY 11 N 5.07 0.70 3.50 5.54 0.00 -0.28 -0.35 105.19 119.37 3kta n GLY 11 Ca -0.09 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 3kta n GLY 11 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kta s PHE 12 N -2.45 3.17 0.00 1.61 5.36 -1.26 -0.85 117.98 123.56 3kta s PHE 12 Ca 0.00 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 55.72 3kta s PHE 12 Cb 0.00 -2.35 0.00 0.00 -0.34 0.00 0.00 43.02 40.33 3kta s PHE 12 CO 0.00 -0.32 0.00 1.63 -1.46 0.00 0.00 175.22 175.07 3kta n LYS 13 N 5.01 0.00 0.00 10.12 5.02 0.48 -1.38 118.16 137.41 3kta n LYS 13 Ca -0.14 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.24 3kta n LYS 13 Cb 0.51 0.00 0.55 0.00 -0.02 0.00 0.00 35.03 36.07 3kta n LYS 13 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3kta n SER 14 N 1.79 0.00 -0.34 4.39 3.41 -1.26 -3.98 113.62 117.63 3kta n SER 14 Ca 0.00 -1.16 0.14 0.00 -0.26 0.00 0.00 58.87 57.59 3kta n SER 14 Cb 0.00 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 64.58 3kta n SER 14 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3kta n TYR 15 N -0.83 0.01 -0.65 7.33 4.01 -0.48 -5.03 117.16 121.53 3kta n TYR 15 Ca 0.14 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 3kta n TYR 15 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 3kta n TYR 15 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kta n GLY 16 N 1.12 -2.72 0.18 2.72 0.00 -1.26 -4.64 105.19 100.59 3kta n GLY 16 Ca 0.20 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.64 3kta n GLY 16 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kta h ASN 17 N 0.00 0.00 -2.71 1.61 2.35 -1.95 -0.72 115.58 114.16 3kta h ASN 17 Ca 0.00 -0.01 -0.47 0.00 -0.55 0.00 0.00 56.30 55.27 3kta h ASN 17 Cb 0.00 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 3kta h ASN 17 CO 0.00 0.00 -0.23 -1.59 -1.65 0.00 0.00 177.43 173.96 3kta s LYS 18 N -3.24 3.48 -0.01 0.81 -2.85 -1.26 -4.29 119.74 112.38 3kta s LYS 18 Ca 0.05 -0.40 -0.30 0.00 -1.00 0.00 0.00 55.97 54.32 3kta s LYS 18 Cb 0.07 -2.70 -0.05 0.00 -2.06 0.00 0.00 37.83 33.09 3kta s LYS 18 CO 0.70 0.20 1.37 0.21 0.10 0.00 0.00 175.35 177.93 3kta s LYS 19 N -4.25 4.29 -0.19 1.78 2.20 -1.26 -4.45 119.74 117.86 3kta s LYS 19 Ca 0.39 1.92 -0.06 0.00 -0.36 0.00 0.00 55.97 57.86 3kta s LYS 19 Cb -0.09 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 3kta s LYS 19 CO 0.35 -0.56 0.02 0.08 -0.36 0.00 0.00 175.35 174.88 3kta s VAL 20 N 2.38 4.20 -0.20 4.02 1.01 0.13 -4.93 120.40 127.00 3kta s VAL 20 Ca 0.63 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 62.26 3kta s VAL 20 Cb -0.30 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 3kta s VAL 20 CO 0.26 0.44 0.17 -0.69 0.00 0.00 0.00 175.10 175.27 3kta s VAL 21 N 0.78 5.38 -0.27 2.92 1.01 -1.26 -0.41 120.40 128.55 3kta s VAL 21 Ca 0.01 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.25 3kta s VAL 21 Cb -0.14 -3.51 0.08 0.00 0.00 0.00 0.00 36.38 32.81 3kta s VAL 21 CO 0.02 0.40 0.00 -0.63 0.00 0.00 0.00 175.10 174.89 3kta s ILE 22 N 0.58 1.48 0.26 2.22 1.01 0.44 -4.99 121.20 122.20 3kta s ILE 22 Ca 0.09 -1.43 -0.08 0.00 0.00 0.00 0.00 60.65 59.23 3kta s ILE 22 Cb -0.12 -1.90 -0.06 0.00 0.01 0.00 0.00 42.46 40.39 3kta s ILE 22 CO 0.01 -0.32 0.56 -2.16 0.00 0.00 0.00 174.94 173.03 3kta s PRO 23 N 1.37 3.74 0.06 2.79 0.04 -1.26 -0.71 135.00 141.04 3kta s PRO 23 Ca 0.01 0.19 0.06 0.00 0.04 0.00 0.00 61.00 61.30 3kta s PRO 23 Cb -0.18 -2.64 -0.03 0.00 0.04 0.00 0.00 34.50 31.69 3kta s PRO 23 CO -0.11 0.27 -0.17 -0.06 0.04 0.00 0.00 177.00 176.97 3kta s PHE 24 N -1.93 1.47 0.49 0.56 0.08 -0.63 -4.97 117.98 113.06 3kta s PHE 24 Ca 0.46 -0.40 -0.22 0.00 0.12 0.00 0.00 56.93 56.90 3kta s PHE 24 Cb -0.11 -0.84 -0.07 0.00 -0.57 0.00 0.00 43.02 41.43 3kta s PHE 24 CO 0.25 0.10 1.16 0.45 -0.10 0.00 0.00 175.22 177.07 3kta s SER 25 N -1.50 5.96 0.61 1.36 0.15 -1.26 -4.78 113.70 114.24 3kta s SER 25 Ca 0.03 2.28 0.33 0.00 0.70 0.00 0.00 55.95 59.29 3kta s SER 25 Cb -0.09 -2.60 1.94 0.00 -1.71 0.00 0.00 66.02 63.56 3kta s SER 25 CO 0.02 -1.06 2.25 0.50 1.20 0.00 0.00 173.24 176.15 3kta h LYS 26 N 1.71 0.00 0.00 5.44 3.64 -1.96 -3.41 116.57 121.99 3kta h LYS 26 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3kta h LYS 26 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3kta h LYS 26 CO 0.59 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 178.18 3kta n GLY 27 N -1.27 0.39 3.29 5.01 0.00 -1.26 -5.00 105.19 106.35 3kta n GLY 27 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3kta n GLY 27 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kta s PHE 28 N 1.87 3.20 -0.14 1.61 5.36 -1.26 -5.08 117.98 123.53 3kta s PHE 28 Ca 0.00 -1.27 -0.04 0.00 -0.96 0.00 0.00 56.93 54.66 3kta s PHE 28 Cb 0.00 -2.25 -0.03 0.00 -0.34 0.00 0.00 43.02 40.40 3kta s PHE 28 CO 0.00 -0.67 -0.02 0.99 -1.46 0.00 0.00 175.22 174.06 3kta s THR 29 N 1.43 4.11 -0.10 0.12 2.01 -1.26 -4.84 115.64 117.12 3kta s THR 29 Ca -0.00 -0.29 -0.04 0.00 0.31 0.00 0.00 61.69 61.67 3kta s THR 29 Cb -0.18 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 3kta s THR 29 CO 0.02 0.51 0.06 0.00 -0.69 0.00 0.00 174.62 174.53 3kta s ALA 30 N 0.09 3.55 -0.21 7.40 0.00 -1.26 -5.06 121.76 126.27 3kta s ALA 30 Ca 0.01 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 3kta s ALA 30 Cb -0.13 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.30 3kta s ALA 30 CO 0.02 0.61 -0.09 0.42 0.00 0.00 0.00 175.76 176.72 3kta s ILE 31 N -0.96 2.94 0.25 0.00 1.01 -1.26 -5.11 121.20 118.07 3kta s ILE 31 Ca 0.15 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 60.21 3kta s ILE 31 Cb -0.12 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 3kta s ILE 31 CO 0.04 0.44 -0.13 0.68 0.00 0.00 0.00 174.94 175.97 3kta s VAL 32 N 1.41 1.91 0.00 2.92 -7.23 -1.26 -5.11 120.40 113.05 3kta s VAL 32 Ca 0.05 -2.23 0.00 0.00 -1.81 0.00 0.00 61.98 57.99 3kta s VAL 32 Cb -0.14 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.53 3kta s VAL 32 CO -0.06 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 174.90 3kta n GLY 33 N -0.53 3.50 3.61 2.32 0.00 -1.26 -5.03 105.19 107.81 3kta n GLY 33 Ca -0.06 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 3kta n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kta n ALA 34 N -1.15 -0.59 -1.61 4.61 0.00 -1.26 -4.85 120.51 115.65 3kta n ALA 34 Ca 0.00 -0.33 -0.48 0.00 0.00 0.00 0.00 53.44 52.63 3kta n ALA 34 Cb 0.00 -2.12 -0.04 0.00 0.00 0.00 0.00 19.45 17.29 3kta n ALA 34 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kta n ASN 35 N -2.37 1.92 0.00 0.00 5.03 -1.26 -1.62 115.26 116.96 3kta n ASN 35 Ca 0.12 1.13 0.00 0.00 0.87 0.00 0.00 54.58 56.70 3kta n ASN 35 Cb 0.51 -1.29 0.00 0.00 -1.02 0.00 0.00 39.78 37.98 3kta n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kta n GLY 36 N 2.25 0.53 0.18 7.41 0.00 -1.26 -4.91 105.19 109.39 3kta n GLY 36 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 3kta n GLY 36 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kta h SER 37 N 0.00 0.00 0.00 1.61 4.64 -1.64 -3.47 113.55 114.70 3kta h SER 37 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kta h SER 37 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3kta h SER 37 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3kta n GLY 38 N 0.92 1.89 0.13 -0.77 0.00 -1.26 -5.03 105.19 101.06 3kta n GLY 38 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3kta n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kta h LYS 39 N 0.02 -0.22 0.00 1.61 1.57 -1.90 -3.14 116.57 114.52 3kta h LYS 39 Ca 0.00 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3kta h LYS 39 Cb 0.00 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3kta h LYS 39 CO 0.00 0.14 -0.12 0.77 -0.57 0.00 0.00 179.45 179.67 3kta h SER 40 N -0.62 0.00 -0.25 0.86 0.02 -2.00 -1.26 113.55 110.30 3kta h SER 40 Ca -0.02 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.00 3kta h SER 40 Cb 0.46 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3kta h SER 40 CO 0.04 0.12 0.18 0.78 -1.14 0.00 0.00 176.83 176.80 3kta h ASN 41 N 0.00 0.00 -0.47 3.07 2.35 -1.98 -0.69 115.58 117.86 3kta h ASN 41 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 3kta h ASN 41 Cb 0.22 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 3kta h ASN 41 CO 0.02 0.00 0.14 0.40 -1.65 0.00 0.00 177.43 176.33 3kta h ILE 42 N 0.00 1.23 -0.99 2.81 2.04 -1.28 -0.67 117.51 120.65 3kta h ILE 42 Ca 0.12 -0.78 0.05 0.00 1.00 0.00 0.00 64.86 65.25 3kta h ILE 42 Cb 0.48 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 3kta h ILE 42 CO -0.00 0.28 0.64 1.23 0.00 0.00 0.00 178.15 180.30 3kta h GLY 43 N 0.63 1.47 1.91 5.37 0.00 -1.28 -2.25 103.07 108.93 3kta h GLY 43 Ca 0.15 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 3kta h GLY 43 CO -0.00 0.38 -0.30 -0.55 0.00 0.00 0.00 176.54 176.07 3kta h ASP 44 N 1.21 0.10 -0.71 0.19 3.32 -0.65 -1.60 116.42 118.28 3kta h ASP 44 Ca 0.41 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.40 3kta h ASP 44 Cb 0.08 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3kta h ASP 44 CO -0.15 0.40 0.34 0.00 -1.72 0.00 0.00 179.24 178.12 3kta h ALA 45 N 1.61 1.24 -0.11 3.45 0.00 -0.54 0.20 119.26 125.11 3kta h ALA 45 Ca 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3kta h ALA 45 Cb 0.58 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kta h ALA 45 CO 0.04 0.58 -0.03 0.82 0.00 0.00 0.00 179.25 180.67 3kta h ILE 46 N 1.03 1.29 -0.76 0.00 2.04 -1.06 -1.43 117.51 118.62 3kta h ILE 46 Ca 0.25 -0.95 0.10 0.00 1.00 0.00 0.00 64.86 65.26 3kta h ILE 46 Cb 0.11 1.71 -0.07 0.00 -0.74 0.00 0.00 36.82 37.82 3kta h ILE 46 CO -0.03 0.27 0.40 -0.07 0.00 0.00 0.00 178.15 178.72 3kta h LEU 47 N -0.11 0.54 0.15 1.44 3.38 -1.07 -2.30 115.31 117.34 3kta h LEU 47 Ca 0.03 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3kta h LEU 47 Cb 0.44 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3kta h LEU 47 CO 0.01 0.30 -0.07 0.15 0.09 0.00 0.00 178.44 178.92 3kta h PHE 48 N 0.67 -0.18 0.00 1.13 3.57 -0.83 -0.47 116.94 120.82 3kta h PHE 48 Ca 0.37 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.83 3kta h PHE 48 Cb 0.39 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 3kta h PHE 48 CO -0.09 0.09 -0.17 -0.24 -2.23 0.00 0.00 178.31 175.67 3kta h VAL 49 N -0.45 0.50 -0.30 1.41 3.04 -1.15 -1.74 116.25 117.55 3kta h VAL 49 Ca -0.02 -0.88 0.00 0.00 -1.01 0.00 0.00 66.70 64.79 3kta h VAL 49 Cb 0.36 1.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 3kta h VAL 49 CO 0.03 0.17 0.00 0.18 -1.01 0.00 0.00 177.57 176.94 3kta n LEU 50 N -3.43 1.68 0.00 3.16 4.77 -0.87 -4.75 117.00 117.56 3kta n LEU 50 Ca -0.00 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 3kta n LEU 50 Cb 0.36 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3kta n LEU 50 CO 0.32 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3kta n GLY 51 N 1.01 1.14 3.64 -0.72 0.00 -0.65 -4.31 105.19 105.30 3kta n GLY 51 Ca 0.11 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.61 3kta n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kta n GLY 52 N -1.57 0.78 0.21 -0.02 0.00 -0.20 -4.87 105.19 99.53 3kta n GLY 52 Ca 0.00 0.76 0.08 0.00 0.00 0.00 0.00 46.02 46.87 3kta n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kta n LEU 53 N 3.78 1.28 -4.36 0.99 4.77 -1.26 -4.86 117.00 117.34 3kta n LEU 53 Ca 0.20 -0.64 -0.45 0.00 -0.03 0.00 0.00 56.01 55.09 3kta n LEU 53 Cb 0.20 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 3kta n LEU 53 CO 0.68 0.26 0.22 -0.55 -1.33 0.00 0.00 177.39 176.67 3kta s SER 54 N -2.25 6.18 0.28 -1.43 0.15 -1.26 -4.91 113.70 110.46 3kta s SER 54 Ca 0.11 -1.51 -0.01 0.00 0.70 0.00 0.00 55.95 55.23 3kta s SER 54 Cb 0.13 -2.24 0.45 0.00 -1.71 0.00 0.00 66.02 62.66 3kta s SER 54 CO 0.54 -0.90 1.89 0.00 1.20 0.00 0.00 173.24 175.97 3kta h ALA 55 N 8.96 1.44 -0.81 5.45 0.00 -1.89 -2.14 119.26 130.27 3kta h ALA 55 Ca -0.29 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.62 3kta h ALA 55 Cb 1.10 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3kta h ALA 55 CO 1.02 0.40 0.53 -0.22 0.00 0.00 0.00 179.25 180.99 3kta h LYS 56 N 1.13 1.01 -1.86 0.00 1.63 -1.80 -0.34 116.57 116.34 3kta h LYS 56 Ca 0.43 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.17 3kta h LYS 56 Cb 0.21 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 3kta h LYS 56 CO -0.17 0.67 0.00 0.00 -3.45 0.00 0.00 179.45 176.50 3kta n ALA 57 N -2.41 1.55 -2.58 5.00 0.00 -0.81 -4.31 120.51 116.94 3kta n ALA 57 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.53 3kta n ALA 57 Cb 0.07 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.57 3kta n ALA 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kta n ARG 59 N 0.95 1.00 -4.56 0.00 1.74 -0.76 -5.06 116.66 109.96 3kta n ARG 59 Ca 0.00 -2.11 -0.29 0.00 -0.77 0.00 0.00 57.85 54.68 3kta n ARG 59 Cb 0.03 -0.34 -0.14 0.00 -1.02 0.00 0.00 32.46 31.00 3kta n ARG 59 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kta s ALA 60 N -1.26 2.27 0.06 7.54 0.00 -0.21 -5.04 121.76 125.11 3kta s ALA 60 Ca 0.18 -1.37 -0.18 0.00 0.00 0.00 0.00 51.96 50.60 3kta s ALA 60 Cb 0.32 -0.40 -0.13 0.00 0.00 0.00 0.00 23.12 22.91 3kta s ALA 60 CO -0.09 0.52 1.34 1.03 0.00 0.00 0.00 175.76 178.56 3kta h SER 61 N 4.24 0.58 -5.10 0.00 0.87 -1.95 -2.88 113.55 109.31 3kta h SER 61 Ca -0.49 -0.52 -0.19 0.00 -1.23 0.00 0.00 61.79 59.36 3kta h SER 61 Cb 1.16 -0.16 -0.15 0.00 -0.44 0.00 0.00 62.40 62.81 3kta h SER 61 CO 0.41 0.98 -0.66 0.00 -0.53 0.00 0.00 176.83 177.03 3kta s ARG 62 N -4.16 0.88 0.42 2.24 3.03 -1.26 -4.74 118.95 115.36 3kta s ARG 62 Ca -0.13 -1.39 0.08 0.00 2.03 0.00 0.00 55.73 56.31 3kta s ARG 62 Cb 0.07 0.08 0.88 0.00 -1.03 0.00 0.00 34.95 34.95 3kta s ARG 62 CO 0.80 -0.17 2.06 0.97 -1.13 0.00 0.00 175.30 177.83 3kta h ILE 63 N 2.91 1.10 0.00 4.99 6.09 -1.93 -0.91 117.51 129.77 3kta h ILE 63 Ca -0.35 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 62.94 3kta h ILE 63 Cb 1.18 0.55 0.00 0.00 0.47 0.00 0.00 36.82 39.03 3kta h ILE 63 CO 0.62 0.10 0.00 0.77 -3.07 0.00 0.00 178.15 176.57 3kta h SER 64 N 0.51 0.00 0.36 2.19 4.64 -1.88 -1.90 113.55 117.48 3kta h SER 64 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3kta h SER 64 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3kta h SER 64 CO -0.03 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.40 3kta n ASP 65 N -3.03 0.00 0.00 4.97 8.00 -0.34 -1.61 116.55 124.53 3kta n ASP 65 Ca -0.01 0.38 0.12 0.00 0.71 0.00 0.00 54.79 55.99 3kta n ASP 65 Cb 0.19 -0.43 0.57 0.00 -0.02 0.00 0.00 41.12 41.42 3kta n ASP 65 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kta n LEU 66 N -1.43 0.00 -4.71 0.64 4.77 -0.71 -4.80 117.00 110.75 3kta n LEU 66 Ca 0.04 0.44 -0.42 0.00 -0.03 0.00 0.00 56.01 56.03 3kta n LEU 66 Cb 0.13 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 3kta n LEU 66 CO 0.11 -0.06 0.73 -0.63 -1.33 0.00 0.00 177.39 176.20 3kta s ILE 67 N -2.87 4.75 -0.06 -0.08 1.01 -0.64 -0.39 121.20 122.93 3kta s ILE 67 Ca 0.16 1.99 -0.38 0.00 0.00 0.00 0.00 60.65 62.42 3kta s ILE 67 Cb 0.17 -4.27 -0.16 0.00 0.01 0.00 0.00 42.46 38.21 3kta s ILE 67 CO 0.44 0.12 1.56 0.33 0.00 0.00 0.00 174.94 177.38 3kta n PHE 68 N 4.16 1.85 -3.50 3.97 7.35 -0.03 -4.74 117.46 126.53 3kta n PHE 68 Ca 0.07 0.51 -0.20 0.00 -0.76 0.00 0.00 57.45 57.07 3kta n PHE 68 Cb 0.50 -2.43 -0.13 0.00 0.35 0.00 0.00 39.48 37.77 3kta n PHE 68 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3kta s ALA 69 N 1.97 -0.12 0.21 3.13 0.00 -1.26 -1.27 121.76 124.42 3kta s ALA 69 Ca 0.90 -0.05 -0.09 0.00 0.00 0.00 0.00 51.96 52.72 3kta s ALA 69 Cb -0.95 -1.37 0.22 0.00 0.00 0.00 0.00 23.12 21.02 3kta s ALA 69 CO 0.53 -1.33 1.85 0.78 0.00 0.00 0.00 175.76 177.59 3kta h GLY 70 N 8.33 1.07 0.00 0.00 0.00 -1.93 -3.51 103.07 107.03 3kta h GLY 70 Ca -0.17 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3kta h GLY 70 CO 0.31 0.28 0.00 -1.14 0.00 0.00 0.00 176.54 175.99 3kta n SER 71 N -4.65 0.00 -2.95 0.19 3.41 -1.26 -5.20 113.62 103.16 3kta n SER 71 Ca 0.09 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.66 3kta n SER 71 Cb 0.10 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.07 3kta n SER 71 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3kta n PRO 76 N 0.00 0.68 -1.46 4.33 -0.04 -1.26 -5.24 135.00 132.01 3kta n PRO 76 Ca 0.00 -1.47 -0.32 0.00 -0.04 0.00 0.00 63.50 61.67 3kta n PRO 76 Cb 0.00 1.95 0.08 0.00 -0.04 0.00 0.00 33.50 35.48 3kta n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kta s ALA 77 N -1.93 2.28 -0.52 0.55 0.00 -0.40 -4.94 121.76 116.80 3kta s ALA 77 Ca 0.19 0.48 0.26 0.00 0.00 0.00 0.00 51.96 52.89 3kta s ALA 77 Cb -0.03 -3.33 0.83 0.00 0.00 0.00 0.00 23.12 20.59 3kta s ALA 77 CO 0.06 -1.64 1.75 0.87 0.00 0.00 0.00 175.76 176.81 3kta h LYS 78 N -0.58 0.00 -1.80 0.00 1.57 -1.96 -3.47 116.57 110.34 3kta h LYS 78 Ca -0.45 0.00 0.31 0.00 -1.87 0.00 0.00 60.65 58.63 3kta h LYS 78 Cb 1.25 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.46 3kta h LYS 78 CO 0.52 0.00 0.80 1.52 -0.57 0.00 0.00 179.45 181.72 3kta s TYR 79 N -3.24 -0.02 -0.09 -1.35 1.13 -1.26 -4.27 117.35 108.25 3kta s TYR 79 Ca 0.07 -0.13 0.01 0.00 -1.41 0.00 0.00 57.07 55.62 3kta s TYR 79 Cb 0.10 0.57 -0.02 0.00 -1.10 0.00 0.00 41.96 41.51 3kta s TYR 79 CO 0.55 -0.37 -0.13 0.00 -2.51 0.00 0.00 175.55 173.09 3kta s ALA 80 N -2.35 2.69 -0.01 9.51 0.00 -0.39 -4.51 121.76 126.70 3kta s ALA 80 Ca 0.19 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.24 3kta s ALA 80 Cb 0.02 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 22.03 3kta s ALA 80 CO -0.02 0.42 -0.05 -2.00 0.00 0.00 0.00 175.76 174.11 3kta s GLU 81 N -0.26 0.55 -0.05 0.00 2.12 0.52 -0.42 118.70 121.17 3kta s GLU 81 Ca 0.02 -0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.21 3kta s GLU 81 Cb -0.13 -0.55 0.00 0.00 0.26 0.00 0.00 34.13 33.71 3kta s GLU 81 CO 0.03 0.07 -0.14 0.08 -0.54 0.00 0.00 175.26 174.75 3kta s VAL 82 N 0.15 1.24 -0.08 3.70 1.01 -0.43 -0.82 120.40 125.18 3kta s VAL 82 Ca -0.01 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.40 3kta s VAL 82 Cb -0.06 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 3kta s VAL 82 CO -0.00 0.37 -0.17 0.00 0.00 0.00 0.00 175.10 175.30 3kta s ALA 83 N 0.21 2.52 -0.09 5.51 0.00 0.05 -1.12 121.76 128.84 3kta s ALA 83 Ca -0.06 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 50.97 3kta s ALA 83 Cb -0.12 -0.96 -0.00 0.00 0.00 0.00 0.00 23.12 22.03 3kta s ALA 83 CO 0.02 0.43 -0.23 -1.50 0.00 0.00 0.00 175.76 174.48 3kta s ILE 84 N -0.27 2.17 -0.30 0.00 2.07 0.44 -0.70 121.20 124.62 3kta s ILE 84 Ca 0.01 -0.99 -0.06 0.00 -1.41 0.00 0.00 60.65 58.20 3kta s ILE 84 Cb -0.13 -1.83 0.02 0.00 0.13 0.00 0.00 42.46 40.65 3kta s ILE 84 CO 0.03 0.56 0.07 -0.31 -1.91 0.00 0.00 174.94 173.37 3kta s TYR 85 N 0.21 3.16 -0.16 3.50 1.51 -0.35 -1.61 117.35 123.60 3kta s TYR 85 Ca -0.14 -1.14 -0.09 0.00 -1.01 0.00 0.00 57.07 54.70 3kta s TYR 85 Cb -0.17 -2.23 -0.05 0.00 -0.11 0.00 0.00 41.96 39.41 3kta s TYR 85 CO 0.07 -0.62 0.13 -0.06 -1.11 0.00 0.00 175.55 173.96 3kta s PHE 86 N 1.46 3.49 -0.03 2.71 0.40 0.12 0.34 117.98 126.47 3kta s PHE 86 Ca 0.01 0.41 -0.30 0.00 -0.60 0.00 0.00 56.93 56.46 3kta s PHE 86 Cb -0.18 -2.06 -0.04 0.00 0.51 0.00 0.00 43.02 41.25 3kta s PHE 86 CO 0.02 0.48 1.24 1.21 0.70 0.00 0.00 175.22 178.88 3kta s ASN 87 N -0.25 7.01 -0.16 1.36 3.84 0.89 -1.63 114.94 126.01 3kta s ASN 87 Ca 0.11 1.90 0.14 0.00 0.21 0.00 0.00 52.86 55.22 3kta s ASN 87 Cb -0.11 -2.56 0.39 0.00 -0.55 0.00 0.00 41.25 38.41 3kta s ASN 87 CO 0.01 -0.61 1.19 -3.20 -2.79 0.00 0.00 177.10 171.70 3kta n ASN 88 N 5.14 1.63 0.19 -4.21 5.15 0.12 -2.36 115.26 120.91 3kta n ASN 88 Ca 0.11 -3.41 0.15 0.00 -0.60 0.00 0.00 54.58 50.83 3kta n ASN 88 Cb 0.46 -0.47 0.75 0.00 -0.53 0.00 0.00 39.78 39.99 3kta n ASN 88 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 3kta h GLU 89 N 0.82 0.00 -0.00 1.20 5.08 -1.81 -0.64 114.58 119.22 3kta h GLU 89 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3kta h GLU 89 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3kta h GLU 89 CO 0.02 0.00 -0.01 -0.40 -1.00 0.00 0.00 179.01 177.61 3kta n ASP 90 N -4.17 0.14 -2.88 1.42 5.75 -1.26 -4.91 116.55 110.64 3kta n ASP 90 Ca 0.02 -0.69 -0.20 0.00 -0.01 0.00 0.00 54.79 53.91 3kta n ASP 90 Cb 0.29 -0.10 0.01 0.00 -1.03 0.00 0.00 41.12 40.28 3kta n ASP 90 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3kta n ARG 91 N -1.03 -3.42 -0.33 0.11 5.12 -0.25 -4.88 116.66 111.98 3kta n ARG 91 Ca 0.19 0.75 -0.04 0.00 -1.93 0.00 0.00 57.85 56.83 3kta n ARG 91 Cb 0.19 -5.49 0.09 0.00 -1.16 0.00 0.00 32.46 26.08 3kta n ARG 91 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 3kta h GLY 92 N -0.76 1.29 -3.86 -0.13 0.00 -1.91 -3.40 103.07 94.29 3kta h GLY 92 Ca -0.45 -0.53 -0.50 0.00 0.00 0.00 0.00 47.33 45.85 3kta h GLY 92 CO 0.52 0.51 0.36 -1.36 0.00 0.00 0.00 176.54 176.57 3kta s PHE 93 N -5.99 3.91 -0.80 5.60 0.40 -1.26 -4.07 117.98 115.76 3kta s PHE 93 Ca -0.13 1.87 -0.07 0.00 -0.60 0.00 0.00 56.93 58.00 3kta s PHE 93 Cb 0.17 -3.02 -0.15 0.00 0.51 0.00 0.00 43.02 40.52 3kta s PHE 93 CO 0.81 0.31 2.97 -0.35 0.70 0.00 0.00 175.22 179.66 3kta n PRO 94 N 1.88 2.61 -3.94 0.24 -0.04 -1.26 -4.74 135.00 129.75 3kta n PRO 94 Ca -0.01 -1.51 -0.17 0.00 -0.04 0.00 0.00 63.50 61.78 3kta n PRO 94 Cb 0.47 -2.37 -0.16 0.00 -0.04 0.00 0.00 33.50 31.41 3kta n PRO 94 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kta s ILE 95 N 1.94 0.20 -1.06 0.52 1.01 -1.26 -5.05 121.20 117.49 3kta s ILE 95 Ca 0.61 0.08 -0.08 0.00 0.00 0.00 0.00 60.65 61.25 3kta s ILE 95 Cb 0.21 -0.29 -0.12 0.00 0.01 0.00 0.00 42.46 42.28 3kta s ILE 95 CO -0.03 0.15 3.11 -0.67 0.00 0.00 0.00 174.94 177.50 3kta n ASP 96 N 4.15 7.56 -3.92 3.58 2.03 -1.26 -4.81 116.55 123.89 3kta n ASP 96 Ca -0.26 -2.62 -0.11 0.00 0.52 0.00 0.00 54.79 52.32 3kta n ASP 96 Cb 0.50 -1.49 -0.13 0.00 -0.72 0.00 0.00 41.12 39.29 3kta n ASP 96 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3kta s GLU 97 N 1.35 0.14 0.43 -0.67 0.41 -1.26 -5.03 118.70 114.06 3kta s GLU 97 Ca 0.67 -0.25 0.29 0.00 -0.41 0.00 0.00 54.97 55.28 3kta s GLU 97 Cb 0.23 0.03 1.17 0.00 -1.78 0.00 0.00 34.13 33.78 3kta s GLU 97 CO -0.05 -0.02 1.86 -0.44 -0.49 0.00 0.00 175.26 176.13 3kta h ASP 98 N 5.56 0.00 -3.72 -0.19 3.32 -1.87 -3.42 116.42 116.09 3kta h ASP 98 Ca -0.27 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.23 3kta h ASP 98 Cb 1.21 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.44 3kta h ASP 98 CO 0.47 0.00 -0.83 -0.70 -1.72 0.00 0.00 179.24 176.46 3kta s GLU 99 N -3.50 1.81 -0.18 3.56 2.12 -1.26 0.11 118.70 121.36 3kta s GLU 99 Ca 0.03 -0.56 0.01 0.00 0.36 0.00 0.00 54.97 54.81 3kta s GLU 99 Cb 0.09 -1.53 0.02 0.00 0.26 0.00 0.00 34.13 32.98 3kta s GLU 99 CO 0.49 0.17 -0.18 0.08 -0.54 0.00 0.00 175.26 175.29 3kta s VAL 100 N 0.24 1.96 -0.17 3.70 1.01 -0.64 -4.92 120.40 121.58 3kta s VAL 100 Ca -0.08 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 3kta s VAL 100 Cb -0.13 -1.82 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 3kta s VAL 100 CO 0.03 0.46 -0.11 -0.69 0.00 0.00 0.00 175.10 174.79 3kta s VAL 101 N 1.32 2.98 -0.07 2.92 1.01 -1.26 -0.70 120.40 126.59 3kta s VAL 101 Ca 0.04 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.40 3kta s VAL 101 Cb -0.14 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 3kta s VAL 101 CO -0.12 0.49 -0.20 -0.63 0.00 0.00 0.00 175.10 174.65 3kta s ILE 102 N 0.90 2.50 -0.01 2.22 1.01 -0.63 -0.29 121.20 126.89 3kta s ILE 102 Ca -0.03 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.76 3kta s ILE 102 Cb -0.15 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 3kta s ILE 102 CO -0.00 0.56 -0.12 -0.60 0.00 0.00 0.00 174.94 174.78 3kta s ARG 103 N -0.15 1.01 -0.03 2.79 3.52 -0.55 -0.42 118.95 125.11 3kta s ARG 103 Ca -0.03 -0.43 0.03 0.00 -0.13 0.00 0.00 55.73 55.17 3kta s ARG 103 Cb -0.14 -0.97 0.00 0.00 -1.56 0.00 0.00 34.95 32.29 3kta s ARG 103 CO 0.04 0.25 -0.11 0.50 -0.81 0.00 0.00 175.30 175.18 3kta s ARG 104 N -0.25 1.18 -0.07 5.12 3.52 -0.28 -1.08 118.95 127.08 3kta s ARG 104 Ca 0.04 -0.36 0.03 0.00 -0.13 0.00 0.00 55.73 55.31 3kta s ARG 104 Cb -0.05 -1.07 0.01 0.00 -1.56 0.00 0.00 34.95 32.28 3kta s ARG 104 CO -0.00 0.12 -0.15 0.50 -0.81 0.00 0.00 175.30 174.95 3kta s ARG 105 N 0.26 1.97 -0.06 5.12 3.52 -0.04 -1.32 118.95 128.40 3kta s ARG 105 Ca -0.05 -0.53 0.03 0.00 -0.13 0.00 0.00 55.73 55.06 3kta s ARG 105 Cb -0.10 -1.59 -0.02 0.00 -1.56 0.00 0.00 34.95 31.67 3kta s ARG 105 CO 0.01 0.08 -0.15 0.54 -0.81 0.00 0.00 175.30 174.97 3kta s VAL 106 N 0.53 3.01 0.32 7.11 0.11 0.44 -0.78 120.40 131.13 3kta s VAL 106 Ca -0.14 -0.74 0.07 0.00 -2.93 0.00 0.00 61.98 58.24 3kta s VAL 106 Cb -0.16 -2.18 -0.02 0.00 -1.53 0.00 0.00 36.38 32.50 3kta s VAL 106 CO 0.05 0.58 0.39 -0.31 -3.33 0.00 0.00 175.10 172.48 3kta s TYR 107 N -0.61 3.09 0.61 1.54 1.51 -0.46 -1.27 117.35 121.77 3kta s TYR 107 Ca 0.09 -0.21 0.29 0.00 -1.01 0.00 0.00 57.07 56.23 3kta s TYR 107 Cb -0.11 -1.85 1.58 0.00 -0.11 0.00 0.00 41.96 41.47 3kta s TYR 107 CO 0.01 0.13 1.96 -1.35 -1.11 0.00 0.00 175.55 175.19 3kta h PRO 108 N 1.07 0.00 -0.01 -1.71 0.11 -1.90 0.11 132.00 129.67 3kta h PRO 108 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kta h PRO 108 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kta h PRO 108 CO 0.56 0.00 -0.13 -0.40 -0.21 0.00 0.00 178.00 177.82 3kta n ASP 109 N -3.50 0.79 0.00 -2.05 5.68 -1.26 -4.83 116.55 111.38 3kta n ASP 109 Ca 0.04 -0.87 0.00 0.00 -0.50 0.00 0.00 54.79 53.46 3kta n ASP 109 Cb 0.50 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 3kta n ASP 109 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kta n GLY 110 N 1.26 0.26 3.81 6.12 0.00 0.40 -5.03 105.19 112.02 3kta n GLY 110 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3kta n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kta s ARG 111 N -0.99 4.29 -0.03 1.61 0.52 -1.26 -4.81 118.95 118.28 3kta s ARG 111 Ca 0.00 1.00 0.06 0.00 -0.52 0.00 0.00 55.73 56.28 3kta s ARG 111 Cb 0.00 -2.63 -0.02 0.00 0.52 0.00 0.00 34.95 32.82 3kta s ARG 111 CO 0.00 0.23 -0.21 -1.12 0.02 0.00 0.00 175.30 174.22 3kta s SER 112 N -1.87 3.48 0.04 0.23 0.01 -1.26 -1.36 113.70 112.97 3kta s SER 112 Ca 0.51 -0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.45 3kta s SER 112 Cb -0.14 -0.55 -0.04 0.00 0.21 0.00 0.00 66.02 65.50 3kta s SER 112 CO 0.19 0.33 -0.06 -0.44 0.41 0.00 0.00 173.24 173.67 3kta s SER 113 N -0.71 4.67 0.09 2.44 0.01 0.04 -4.96 113.70 115.29 3kta s SER 113 Ca 0.11 -0.19 0.06 0.00 1.31 0.00 0.00 55.95 57.24 3kta s SER 113 Cb -0.10 -1.06 -0.03 0.00 0.21 0.00 0.00 66.02 65.03 3kta s SER 113 CO -0.00 0.24 -0.17 -0.31 0.41 0.00 0.00 173.24 173.41 3kta s TYR 114 N -1.10 1.46 0.02 2.43 1.51 -1.25 -0.86 117.35 119.55 3kta s TYR 114 Ca 0.20 -0.46 0.04 0.00 -1.01 0.00 0.00 57.07 55.83 3kta s TYR 114 Cb -0.11 -0.80 -0.02 0.00 -0.11 0.00 0.00 41.96 40.92 3kta s TYR 114 CO 0.11 0.13 -0.12 -1.58 -1.11 0.00 0.00 175.55 172.98 3kta s TRP 115 N -1.39 1.02 -0.13 2.71 0.51 -0.24 -0.96 118.94 120.45 3kta s TRP 115 Ca 0.03 -0.29 -0.00 0.00 -2.12 0.00 0.00 56.10 53.72 3kta s TRP 115 Cb -0.09 -0.62 0.02 0.00 -0.81 0.00 0.00 33.47 31.97 3kta s TRP 115 CO 0.03 0.00 -0.11 -1.17 -0.51 0.00 0.00 176.95 175.19 3kta s LEU 116 N -0.81 1.46 -1.61 2.99 2.96 0.50 -1.48 118.68 122.69 3kta s LEU 116 Ca 0.01 -0.41 -0.13 0.00 -0.22 0.00 0.00 54.13 53.38 3kta s LEU 116 Cb -0.06 -1.02 0.11 0.00 0.50 0.00 0.00 46.19 45.71 3kta s LEU 116 CO 0.00 -0.09 0.72 0.59 -1.32 0.00 0.00 176.35 176.25 3kta n ASN 117 N 4.85 -2.73 0.00 3.68 3.02 0.60 -1.68 115.26 123.00 3kta n ASN 117 Ca -0.15 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 3kta n ASN 117 Cb 0.50 -2.97 0.00 0.00 -0.61 0.00 0.00 39.78 36.70 3kta n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kta n GLY 118 N -1.59 0.74 3.32 7.41 0.00 -1.26 -5.02 105.19 108.78 3kta n GLY 118 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3kta n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kta s ARG 119 N -0.16 2.28 0.35 1.61 0.52 -0.68 -5.10 118.95 117.77 3kta s ARG 119 Ca 0.00 -0.90 -0.28 0.00 -0.52 0.00 0.00 55.73 54.04 3kta s ARG 119 Cb 0.00 -2.11 -0.12 0.00 0.52 0.00 0.00 34.95 33.24 3kta s ARG 119 CO 0.00 0.52 1.26 0.54 0.02 0.00 0.00 175.30 177.63 3kta n ARG 120 N 2.57 2.02 -4.11 3.54 5.12 -1.26 -0.37 116.66 124.17 3kta n ARG 120 Ca -0.16 0.71 -0.08 0.00 -1.93 0.00 0.00 57.85 56.38 3kta n ARG 120 Cb 0.51 -2.29 -0.10 0.00 -1.16 0.00 0.00 32.46 29.43 3kta n ARG 120 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kta s ALA 121 N -1.11 0.65 0.44 7.54 0.00 -0.13 -4.74 121.76 124.41 3kta s ALA 121 Ca 0.56 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 51.23 3kta s ALA 121 Cb -0.57 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.14 3kta s ALA 121 CO 0.61 -0.44 0.64 0.95 0.00 0.00 0.00 175.76 177.53 3kta s THR 122 N -3.98 3.79 0.14 0.00 -4.23 -1.26 -3.97 115.64 106.12 3kta s THR 122 Ca 0.16 -0.64 -0.18 0.00 -1.18 0.00 0.00 61.69 59.84 3kta s THR 122 Cb 0.08 -3.38 -0.03 0.00 1.34 0.00 0.00 72.50 70.50 3kta s THR 122 CO -0.04 -0.24 1.79 -0.09 -0.54 0.00 0.00 174.62 175.50 3kta h ARG 123 N 0.46 0.35 -0.33 3.99 2.43 -1.96 -2.24 114.38 117.08 3kta h ARG 123 Ca -0.45 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.66 3kta h ARG 123 Cb 1.26 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 3kta h ARG 123 CO 0.55 0.23 0.06 0.66 -1.51 0.00 0.00 179.97 179.97 3kta h SER 124 N 0.36 0.44 -0.50 -3.80 4.64 -1.98 0.54 113.55 113.25 3kta h SER 124 Ca 0.11 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 3kta h SER 124 Cb -0.02 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 3kta h SER 124 CO -0.04 0.46 0.24 -0.08 -0.87 0.00 0.00 176.83 176.54 3kta h GLU 125 N 0.47 0.72 -0.13 4.77 4.81 -1.86 -0.31 114.58 123.04 3kta h GLU 125 Ca 0.11 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3kta h GLU 125 Cb 0.21 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3kta h GLU 125 CO -0.00 0.61 0.04 0.82 -0.73 0.00 0.00 179.01 179.75 3kta h ILE 126 N 0.66 1.18 -0.96 2.32 1.08 -0.67 -2.58 117.51 118.54 3kta h ILE 126 Ca 0.17 -0.55 0.02 0.00 -0.39 0.00 0.00 64.86 64.10 3kta h ILE 126 Cb 0.13 1.30 -0.05 0.00 -3.07 0.00 0.00 36.82 35.13 3kta h ILE 126 CO -0.02 0.17 0.63 -0.07 -0.69 0.00 0.00 178.15 178.17 3kta h LEU 127 N 0.03 1.08 -0.57 1.44 3.38 -0.76 -1.47 115.31 118.44 3kta h LEU 127 Ca 0.04 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3kta h LEU 127 Cb 0.22 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3kta h LEU 127 CO -0.00 0.77 0.04 0.44 0.09 0.00 0.00 178.44 179.78 3kta h ASP 128 N 1.27 0.95 -0.60 -0.43 3.32 -0.94 -0.17 116.42 119.82 3kta h ASP 128 Ca 0.36 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 3kta h ASP 128 Cb -0.11 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.17 3kta h ASP 128 CO -0.09 1.00 0.06 0.16 -1.72 0.00 0.00 179.24 178.65 3kta h ILE 129 N 0.87 1.26 -0.57 0.35 3.07 -1.14 -1.72 117.51 119.64 3kta h ILE 129 Ca 0.17 -1.06 -0.04 0.00 1.55 0.00 0.00 64.86 65.47 3kta h ILE 129 Cb 0.49 0.77 -0.02 0.00 -0.27 0.00 0.00 36.82 37.78 3kta h ILE 129 CO 0.02 0.39 0.18 -0.07 -1.05 0.00 0.00 178.15 177.62 3kta h LEU 130 N 0.93 0.82 -0.68 0.16 3.38 -1.04 -2.01 115.31 116.87 3kta h LEU 130 Ca 0.18 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3kta h LEU 130 Cb 0.48 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3kta h LEU 130 CO 0.02 0.80 0.44 0.74 0.09 0.00 0.00 178.44 180.54 3kta h THR 131 N 0.79 1.16 -0.32 0.22 2.02 -0.88 0.87 112.91 116.76 3kta h THR 131 Ca 0.18 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 3kta h THR 131 Cb 0.27 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 3kta h THR 131 CO -0.01 0.16 0.19 0.00 0.37 0.00 0.00 175.52 176.24 3kta h ALA 132 N 1.26 1.74 0.00 6.16 0.00 -1.05 -3.39 119.26 123.99 3kta h ALA 132 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kta h ALA 132 Cb -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3kta h ALA 132 CO -0.06 0.23 -0.42 0.00 0.00 0.00 0.00 179.25 179.00 3kta h ALA 133 N 1.78 0.00 0.00 0.00 0.00 -0.52 -3.47 119.26 117.06 3kta h ALA 133 Ca 0.12 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3kta h ALA 133 Cb -0.02 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kta h ALA 133 CO -0.02 0.42 0.00 -0.89 0.00 0.00 0.00 179.25 178.76 3kta n ILE 135 N -4.51 0.00 -3.82 0.00 5.41 0.19 -4.88 119.36 111.76 3kta n ILE 135 Ca -0.06 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.58 3kta n ILE 135 Cb 0.22 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.06 3kta n ILE 135 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3kta s SER 136 N 0.00 -0.04 0.53 4.38 1.04 -1.26 -3.48 113.70 114.86 3kta s SER 136 Ca 0.00 -0.22 0.28 0.00 0.48 0.00 0.00 55.95 56.49 3kta s SER 136 Cb 0.00 0.29 1.42 0.00 0.10 0.00 0.00 66.02 67.82 3kta s SER 136 CO 0.00 -0.51 1.93 -0.65 0.98 0.00 0.00 173.24 174.99 3kta h PRO 137 N 3.65 0.03 0.00 4.02 0.11 -1.90 -3.04 132.00 134.88 3kta h PRO 137 Ca -0.31 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 3kta h PRO 137 Cb 1.19 -0.01 -0.10 0.00 0.11 0.00 0.00 31.00 32.19 3kta h PRO 137 CO 0.45 0.02 -0.61 -0.40 -0.21 0.00 0.00 178.00 177.25 3kta n ASP 138 N -4.33 1.52 -4.65 -2.05 5.68 -1.26 -4.88 116.55 106.58 3kta n ASP 138 Ca 0.15 -3.32 -0.30 0.00 -0.50 0.00 0.00 54.79 50.83 3kta n ASP 138 Cb 0.80 -0.46 0.17 0.00 -1.14 0.00 0.00 41.12 40.49 3kta n ASP 138 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3kta s GLY 139 N -2.84 1.62 0.56 6.12 0.00 -1.15 -4.87 107.32 106.76 3kta s GLY 139 Ca 0.36 0.14 0.37 0.00 0.00 0.00 0.00 44.72 45.59 3kta s GLY 139 CO -0.09 0.66 2.14 0.10 0.00 0.00 0.00 173.10 175.91 3kta h TYR 140 N -1.89 0.00 -0.00 1.90 -0.00 -1.97 -2.06 116.97 112.95 3kta h TYR 140 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.23 3kta h TYR 140 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.02 3kta h TYR 140 CO 0.42 0.00 -0.08 0.27 -0.00 0.00 0.00 178.16 178.77 3kta n ASN 141 N -2.83 0.13 -4.38 0.10 6.94 -1.26 -4.59 115.26 109.37 3kta n ASN 141 Ca -0.02 0.13 -0.38 0.00 -0.02 0.00 0.00 54.58 54.29 3kta n ASN 141 Cb 0.08 -0.30 -0.12 0.00 -2.36 0.00 0.00 39.78 37.08 3kta n ASN 141 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3kta s ILE 142 N -2.84 4.23 -0.35 1.53 1.01 -0.78 -5.06 121.20 118.94 3kta s ILE 142 Ca 0.18 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.23 3kta s ILE 142 Cb 0.19 -3.19 0.10 0.00 0.01 0.00 0.00 42.46 39.57 3kta s ILE 142 CO 0.53 0.04 0.08 -0.69 0.00 0.00 0.00 174.94 174.91 3kta s VAL 143 N 1.54 2.61 0.83 2.92 1.01 -1.26 -4.84 120.40 123.20 3kta s VAL 143 Ca 0.03 -2.16 -0.12 0.00 0.00 0.00 0.00 61.98 59.73 3kta s VAL 143 Cb -0.17 -2.83 0.09 0.00 0.00 0.00 0.00 36.38 33.46 3kta s VAL 143 CO 0.04 -0.56 1.11 -0.76 0.00 0.00 0.00 175.10 174.93 3kta s LEU 144 N 1.00 2.45 0.18 3.92 1.43 -1.26 -4.88 118.68 121.52 3kta s LEU 144 Ca 0.08 1.21 -0.33 0.00 -1.03 0.00 0.00 54.13 54.06 3kta s LEU 144 Cb -0.20 -3.75 -0.14 0.00 0.03 0.00 0.00 46.19 42.13 3kta s LEU 144 CO -0.06 -2.11 1.55 1.67 0.23 0.00 0.00 176.35 177.63 3kta n GLN 145 N -3.51 2.16 -0.98 1.70 7.27 -1.26 -1.39 117.38 121.37 3kta n GLN 145 Ca 0.07 0.78 0.00 0.00 0.07 0.00 0.00 57.00 57.92 3kta n GLN 145 Cb 0.57 -2.53 0.00 0.00 2.41 0.00 0.00 30.24 30.69 3kta n GLN 145 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kta n GLY 146 N 3.19 0.53 0.30 1.69 0.00 -1.26 -4.90 105.19 104.74 3kta n GLY 146 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 3kta n GLY 146 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kta n ASP 147 N -0.11 2.39 0.06 1.61 2.03 -0.49 -4.66 116.55 117.38 3kta n ASP 147 Ca 0.00 -1.96 0.07 0.00 0.52 0.00 0.00 54.79 53.42 3kta n ASP 147 Cb 0.06 -0.10 0.52 0.00 -0.72 0.00 0.00 41.12 40.87 3kta n ASP 147 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3kta h ILE 148 N 0.96 1.02 -0.04 5.18 6.09 -1.91 -1.07 117.51 127.75 3kta h ILE 148 Ca 0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 3kta h ILE 148 Cb 0.59 0.66 0.00 0.00 0.47 0.00 0.00 36.82 38.54 3kta h ILE 148 CO 0.00 0.06 0.00 0.35 -3.07 0.00 0.00 178.15 175.49 3kta n THR 149 N -4.49 0.05 -0.26 2.19 -2.24 -1.26 -3.50 114.28 104.76 3kta n THR 149 Ca 0.03 -0.07 0.25 0.00 -2.27 0.00 0.00 64.05 61.99 3kta n THR 149 Cb 0.15 -0.13 0.61 0.00 -2.10 0.00 0.00 70.33 68.86 3kta n THR 149 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3kta h LYS 150 N 0.39 0.22 0.00 -0.78 2.10 -1.53 0.14 116.57 117.11 3kta h LYS 150 Ca 0.00 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.58 3kta h LYS 150 Cb 0.09 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 3kta h LYS 150 CO 0.00 0.15 -0.27 0.74 -2.00 0.00 0.00 179.45 178.07 3kta h PHE 151 N 0.23 0.00 0.00 0.07 0.04 -1.80 -2.87 116.94 112.60 3kta h PHE 151 Ca 0.51 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.28 3kta h PHE 151 Cb 1.58 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.73 3kta h PHE 151 CO -0.00 0.27 -1.34 0.44 -0.60 0.00 0.00 178.31 177.08 3kta n ILE 152 N -3.42 0.05 -1.26 -0.55 -6.64 0.26 -4.99 119.36 102.82 3kta n ILE 152 Ca 0.00 -0.24 -0.20 0.00 -1.77 0.00 0.00 62.75 60.53 3kta n ILE 152 Cb 0.46 0.42 -0.09 0.00 -1.44 0.00 0.00 39.64 38.98 3kta n ILE 152 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3kta n LYS 153 N -1.90 2.19 -4.08 6.28 5.02 0.07 -5.08 118.16 120.67 3kta n LYS 153 Ca 0.01 -1.75 -0.28 0.00 -2.02 0.00 0.00 58.31 54.26 3kta n LYS 153 Cb 0.44 -2.04 -0.06 0.00 -0.02 0.00 0.00 35.03 33.35 3kta n LYS 153 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3kta s SER 155 N 1.01 5.46 0.39 4.39 1.04 -1.26 -5.08 113.70 119.65 3kta s SER 155 Ca 0.59 -0.09 0.18 0.00 0.48 0.00 0.00 55.95 57.11 3kta s SER 155 Cb 0.35 -1.43 1.08 0.00 0.10 0.00 0.00 66.02 66.12 3kta s SER 155 CO -0.12 0.12 1.76 -0.65 0.98 0.00 0.00 173.24 175.33 3kta h PRO 156 N 2.88 0.40 -0.16 4.02 0.11 -1.98 -0.53 132.00 136.73 3kta h PRO 156 Ca -0.47 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3kta h PRO 156 Cb 1.18 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3kta h PRO 156 CO 0.64 0.26 -0.01 1.25 -0.21 0.00 0.00 178.00 179.93 3kta h LEU 157 N 0.41 0.28 -1.28 2.35 5.85 -2.03 -1.67 115.31 119.22 3kta h LEU 157 Ca 0.60 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 59.04 3kta h LEU 157 Cb 1.50 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.40 3kta h LEU 157 CO -0.32 0.54 0.51 -0.08 -0.34 0.00 0.00 178.44 178.75 3kta h GLU 158 N 0.02 0.89 -0.61 1.25 4.81 -1.75 -2.21 114.58 116.98 3kta h GLU 158 Ca 0.04 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 3kta h GLU 158 Cb 0.40 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3kta h GLU 158 CO 0.01 0.59 0.04 -0.09 -0.73 0.00 0.00 179.01 178.83 3kta h ARG 159 N 0.92 1.04 -0.37 1.92 2.43 -0.76 -2.47 114.38 117.09 3kta h ARG 159 Ca 0.32 -0.30 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 3kta h ARG 159 Cb 0.10 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3kta h ARG 159 CO -0.10 0.99 -0.22 -0.09 -1.51 0.00 0.00 179.97 179.04 3kta h ARG 160 N 0.97 0.72 -0.32 0.20 2.43 -0.83 -2.77 114.38 114.78 3kta h ARG 160 Ca 0.18 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3kta h ARG 160 Cb 0.50 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 3kta h ARG 160 CO 0.02 0.88 0.13 -0.07 -1.51 0.00 0.00 179.97 179.42 3kta h LEU 161 N 0.63 0.40 -0.54 3.80 3.38 -1.07 0.56 115.31 122.47 3kta h LEU 161 Ca 0.09 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3kta h LEU 161 Cb 0.72 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3kta h LEU 161 CO 0.06 0.37 0.34 0.25 0.09 0.00 0.00 178.44 179.54 3kta h LEU 162 N 0.45 0.56 -0.72 1.67 5.85 -1.16 -1.54 115.31 120.41 3kta h LEU 162 Ca 0.11 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 3kta h LEU 162 Cb 0.10 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3kta h LEU 162 CO -0.01 0.40 -0.03 0.40 -0.34 0.00 0.00 178.44 178.86 3kta h ILE 163 N 0.67 1.26 -0.59 4.05 1.08 -1.06 -1.48 117.51 121.45 3kta h ILE 163 Ca 0.21 -1.14 0.12 0.00 -0.39 0.00 0.00 64.86 63.66 3kta h ILE 163 Cb -0.01 0.87 -0.10 0.00 -3.07 0.00 0.00 36.82 34.50 3kta h ILE 163 CO -0.08 0.41 -0.05 0.44 -0.69 0.00 0.00 178.15 178.18 3kta h ASP 164 N 0.87 -0.35 -0.02 1.72 5.19 -0.61 -0.37 116.42 122.85 3kta h ASP 164 Ca 0.15 0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.72 3kta h ASP 164 Cb 0.55 0.29 -0.00 0.00 0.18 0.00 0.00 39.33 40.35 3kta h ASP 164 CO 0.03 -0.14 0.01 -0.78 -3.12 0.00 0.00 179.24 175.25 3kta h ASP 165 N 0.07 0.02 -0.72 6.45 1.82 -0.79 -2.80 116.42 120.47 3kta h ASP 165 Ca 0.30 -0.03 0.01 0.00 -0.39 0.00 0.00 57.03 56.91 3kta h ASP 165 Cb 0.47 -0.01 -0.04 0.00 0.68 0.00 0.00 39.33 40.44 3kta h ASP 165 CO -0.54 0.05 0.47 0.40 -1.61 0.00 0.00 179.24 178.02 3kta h ILE 166 N -0.01 1.19 0.00 2.25 1.08 -0.81 -1.95 117.51 119.26 3kta h ILE 166 Ca 0.01 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 3kta h ILE 166 Cb 0.03 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 33.91 3kta h ILE 166 CO -0.00 0.18 0.00 0.77 -0.69 0.00 0.00 178.15 178.41 3kta h SER 167 N 0.98 0.00 0.00 1.72 4.64 -0.82 -3.46 113.55 116.61 3kta h SER 167 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3kta h SER 167 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3kta h SER 167 CO -0.06 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.51 3kta n GLY 168 N -0.20 0.75 0.00 -0.77 0.00 -0.73 -5.10 105.19 99.13 3kta n GLY 168 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3kta n GLY 168 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61