#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkk s VAL 3 N 0.00 5.19 0.43 12.58 -7.23 -1.26 -5.08 120.40 125.02 1jkk s VAL 3 Ca 0.00 0.13 0.07 0.00 -1.81 0.00 0.00 61.98 60.37 1jkk s VAL 3 Cb 0.00 -3.62 -0.03 0.00 0.56 0.00 0.00 36.38 33.29 1jkk s VAL 3 CO 0.00 0.16 0.29 -0.36 -0.31 0.00 0.00 175.10 174.88 1jkk s PHE 4 N -1.53 2.56 -0.08 2.82 0.08 -1.26 -5.05 117.98 115.52 1jkk s PHE 4 Ca 0.36 -0.57 -0.32 0.00 0.12 0.00 0.00 56.93 56.53 1jkk s PHE 4 Cb -0.13 -2.05 -0.10 0.00 -0.57 0.00 0.00 43.02 40.18 1jkk s PHE 4 CO 0.22 -0.01 1.99 0.54 -0.10 0.00 0.00 175.22 177.86 1jkk n ARG 5 N -1.43 2.36 -0.15 0.44 1.74 -1.09 -4.70 116.66 113.83 1jkk n ARG 5 Ca 0.01 0.83 0.11 0.00 -0.77 0.00 0.00 57.85 58.03 1jkk n ARG 5 Cb 0.63 -2.88 0.27 0.00 -1.02 0.00 0.00 32.46 29.47 1jkk n ARG 5 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1jkk n GLN 6 N 7.44 2.20 -1.24 5.56 6.02 -1.26 -1.99 117.38 134.11 1jkk n GLN 6 Ca 0.24 -1.82 -0.30 0.00 -0.01 0.00 0.00 57.00 55.11 1jkk n GLN 6 Cb 0.36 -1.46 0.13 0.00 1.02 0.00 0.00 30.24 30.29 1jkk n GLN 6 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1jkk s GLU 7 N -1.59 1.46 -0.06 -1.09 2.02 -1.26 -4.92 118.70 113.25 1jkk s GLU 7 Ca 0.36 0.85 -0.30 0.00 0.02 0.00 0.00 54.97 55.90 1jkk s GLU 7 Cb 0.20 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.56 1jkk s GLU 7 CO 0.29 -2.11 1.43 1.21 0.02 0.00 0.00 175.26 176.10 1jkk s ASN 8 N -3.46 6.83 0.63 -0.19 3.84 -1.26 -4.79 114.94 116.54 1jkk s ASN 8 Ca 0.63 2.03 0.41 0.00 0.21 0.00 0.00 52.86 56.14 1jkk s ASN 8 Cb -0.18 -2.55 2.12 0.00 -0.55 0.00 0.00 41.25 40.10 1jkk s ASN 8 CO 0.57 -0.79 2.27 1.62 -2.79 0.00 0.00 177.10 177.97 1jkk h VAL 9 N 5.27 0.04 0.00 -5.21 3.04 -1.94 -1.24 116.25 116.21 1jkk h VAL 9 Ca -0.35 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1jkk h VAL 9 Cb 1.16 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1jkk h VAL 9 CO 0.94 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.97 1jkk n ASP 10 N -3.13 0.14 0.04 3.17 8.00 -1.26 -1.46 116.55 122.05 1jkk n ASP 10 Ca -0.02 0.52 0.12 0.00 0.71 0.00 0.00 54.79 56.12 1jkk n ASP 10 Cb 0.14 -0.55 0.31 0.00 -0.02 0.00 0.00 41.12 40.99 1jkk n ASP 10 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1jkk n ASP 11 N -1.64 0.52 0.00 -2.24 8.00 -0.47 -4.14 116.55 116.58 1jkk n ASP 11 Ca 0.05 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1jkk n ASP 11 Cb 0.29 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 1jkk n ASP 11 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1jkk n TYR 12 N -1.83 0.00 -4.03 1.24 4.01 -1.06 -4.97 117.16 110.52 1jkk n TYR 12 Ca 0.05 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.69 1jkk n TYR 12 Cb 0.39 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.31 1jkk n TYR 12 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1jkk s TYR 13 N -1.08 0.47 -0.20 -0.72 2.02 -0.53 -0.36 117.35 116.95 1jkk s TYR 13 Ca 0.00 -0.61 -0.01 0.00 -0.37 0.00 0.00 57.07 56.09 1jkk s TYR 13 Cb 0.00 -0.31 0.01 0.00 -0.40 0.00 0.00 41.96 41.27 1jkk s TYR 13 CO 0.00 -0.17 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.16 1jkk s ASP 14 N -1.77 3.65 0.41 2.29 1.01 -0.41 -4.41 116.67 117.44 1jkk s ASP 14 Ca -0.10 -0.61 -0.02 0.00 0.71 0.00 0.00 52.55 52.54 1jkk s ASP 14 Cb -0.07 -1.58 -0.03 0.00 1.01 0.00 0.00 42.92 42.25 1jkk s ASP 14 CO -0.02 -0.02 0.65 0.42 0.21 0.00 0.00 175.17 176.41 1jkk s THR 15 N 1.35 4.96 0.00 -1.27 -4.23 -1.26 -0.57 115.64 114.61 1jkk s THR 15 Ca 0.04 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1jkk s THR 15 Cb -0.14 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.86 1jkk s THR 15 CO -0.09 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 173.94 1jkk n GLY 16 N -2.00 4.65 3.48 3.99 0.00 0.17 -4.95 105.19 110.54 1jkk n GLY 16 Ca -0.02 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 1jkk n GLY 16 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jkk n GLU 17 N 0.00 0.67 -3.21 1.61 2.13 -1.26 -4.49 120.64 116.10 1jkk n GLU 17 Ca 0.00 0.25 -0.41 0.00 0.66 0.00 0.00 57.16 57.66 1jkk n GLU 17 Cb 0.00 -1.66 -0.07 0.00 0.27 0.00 0.00 31.44 29.98 1jkk n GLU 17 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1jkk s GLU 18 N -1.82 3.82 0.02 5.31 2.12 -1.26 -0.19 118.70 126.69 1jkk s GLU 18 Ca 0.65 0.09 -0.10 0.00 0.36 0.00 0.00 54.97 55.97 1jkk s GLU 18 Cb -0.54 -3.74 -0.32 0.00 0.26 0.00 0.00 34.13 29.79 1jkk s GLU 18 CO 0.56 -0.54 0.94 -0.07 -0.54 0.00 0.00 175.26 175.61 1jkk h LEU 19 N 9.03 0.63 -7.95 2.70 3.38 -1.34 -3.48 115.31 118.29 1jkk h LEU 19 Ca -0.28 -0.74 0.06 0.00 0.09 0.00 0.00 57.88 57.01 1jkk h LEU 19 Cb 1.13 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1jkk h LEU 19 CO 0.76 1.60 0.34 -0.83 0.09 0.00 0.00 178.44 180.41 1jkk s GLY 20 N -4.78 0.12 -0.01 0.83 0.00 -1.07 -5.00 107.32 97.42 1jkk s GLY 20 Ca -0.09 -0.44 -0.16 0.00 0.00 0.00 0.00 44.72 44.03 1jkk s GLY 20 CO 0.90 0.25 0.34 -0.45 0.00 0.00 0.00 173.10 174.13 1jkk s SER 21 N -3.07 -0.22 0.36 1.64 0.15 -1.26 -0.99 113.70 110.30 1jkk s SER 21 Ca 0.15 0.12 0.07 0.00 0.70 0.00 0.00 55.95 56.99 1jkk s SER 21 Cb -0.04 0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 64.57 1jkk s SER 21 CO 0.08 -0.47 0.24 0.61 1.20 0.00 0.00 173.24 174.90 1jkk n GLY 22 N 1.21 3.02 0.28 9.45 0.00 0.48 -4.96 105.19 114.66 1jkk n GLY 22 Ca -0.21 -1.97 -0.02 0.00 0.00 0.00 0.00 46.02 43.82 1jkk n GLY 22 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1jkk h GLN 23 N 0.00 0.64 0.00 1.61 4.15 -2.02 -3.21 115.11 116.28 1jkk h GLN 23 Ca -0.26 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 58.97 1jkk h GLN 23 Cb 1.21 -0.09 -0.10 0.00 0.21 0.00 0.00 27.48 28.71 1jkk h GLN 23 CO 0.40 0.64 -0.51 1.19 -1.93 0.00 0.00 178.83 178.62 1jkk n PHE 24 N -4.26 0.00 -3.62 3.99 3.72 -1.26 -4.98 117.46 111.04 1jkk n PHE 24 Ca 0.02 -0.80 -0.16 0.00 -0.05 0.00 0.00 57.45 56.47 1jkk n PHE 24 Cb 0.25 -0.16 -0.07 0.00 -0.94 0.00 0.00 39.48 38.57 1jkk n PHE 24 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jkk s ALA 25 N -1.63 -1.43 -0.02 4.37 0.00 -1.21 -1.64 121.76 120.20 1jkk s ALA 25 Ca 0.27 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.36 1jkk s ALA 25 Cb 0.27 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.23 1jkk s ALA 25 CO -0.06 -0.32 -0.03 0.54 0.00 0.00 0.00 175.76 175.89 1jkk s VAL 26 N -0.92 0.36 -0.12 0.00 0.11 -0.92 0.18 120.40 119.09 1jkk s VAL 26 Ca -0.09 -0.10 -0.01 0.00 -2.93 0.00 0.00 61.98 58.85 1jkk s VAL 26 Cb -0.02 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 1jkk s VAL 26 CO 0.07 0.15 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.23 1jkk s VAL 27 N 0.51 3.64 0.04 2.04 1.01 -0.16 -0.76 120.40 126.71 1jkk s VAL 27 Ca -0.06 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1jkk s VAL 27 Cb -0.09 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 1jkk s VAL 27 CO -0.00 0.53 -0.11 -0.54 0.00 0.00 0.00 175.10 174.98 1jkk s LYS 28 N -0.02 0.72 0.23 2.72 1.02 0.16 -0.88 119.74 123.70 1jkk s LYS 28 Ca -0.00 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 1jkk s LYS 28 Cb -0.14 -0.65 -0.09 0.00 -0.52 0.00 0.00 37.83 36.44 1jkk s LYS 28 CO 0.03 0.15 1.10 0.15 -0.92 0.00 0.00 175.35 175.86 1jkk s LYS 29 N -1.32 4.62 0.13 1.68 1.02 0.73 0.23 119.74 126.83 1jkk s LYS 29 Ca -0.03 1.77 -0.03 0.00 0.02 0.00 0.00 55.97 57.70 1jkk s LYS 29 Cb -0.08 -3.23 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 1jkk s LYS 29 CO 0.01 0.15 0.10 0.00 -0.92 0.00 0.00 175.35 174.70 1jkk s ARG 31 N -4.02 1.58 0.11 0.00 3.52 0.26 -0.71 118.95 119.69 1jkk s ARG 31 Ca 0.21 -0.28 -0.31 0.00 -0.13 0.00 0.00 55.73 55.22 1jkk s ARG 31 Cb 0.07 -1.59 -0.07 0.00 -1.56 0.00 0.00 34.95 31.79 1jkk s ARG 31 CO 0.00 -0.23 1.28 -2.00 -0.81 0.00 0.00 175.30 173.54 1jkk s GLU 32 N 1.59 4.39 0.12 5.12 2.12 -0.39 -1.29 118.70 130.36 1jkk s GLU 32 Ca 0.03 1.92 -0.16 0.00 0.36 0.00 0.00 54.97 57.12 1jkk s GLU 32 Cb -0.13 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 1jkk s GLU 32 CO -0.07 -0.30 1.60 0.87 -0.54 0.00 0.00 175.26 176.82 1jkk h LYS 33 N 6.48 0.64 0.00 4.30 1.57 -1.04 0.29 116.57 128.80 1jkk h LYS 33 Ca -0.42 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.16 1jkk h LYS 33 Cb 1.21 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 1jkk h LYS 33 CO 0.82 0.69 -0.12 0.66 -0.57 0.00 0.00 179.45 180.93 1jkk h SER 34 N 0.48 0.00 0.00 0.86 4.64 -1.93 -3.32 113.55 114.29 1jkk h SER 34 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1jkk h SER 34 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1jkk h SER 34 CO 0.01 0.12 -0.95 0.35 -0.87 0.00 0.00 176.83 175.49 1jkk n THR 35 N -3.46 0.00 -1.00 2.95 -2.24 -1.22 -5.00 114.28 104.31 1jkk n THR 35 Ca -0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1jkk n THR 35 Cb 0.28 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1jkk n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jkk n GLY 36 N 2.33 0.91 3.79 3.38 0.00 0.09 -5.01 105.19 110.68 1jkk n GLY 36 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1jkk n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jkk s LEU 37 N 0.00 4.27 0.18 0.99 1.43 -1.25 -4.76 118.68 119.54 1jkk s LEU 37 Ca 0.00 1.79 -0.04 0.00 -1.03 0.00 0.00 54.13 54.86 1jkk s LEU 37 Cb 0.00 -4.08 -0.05 0.00 0.03 0.00 0.00 46.19 42.08 1jkk s LEU 37 CO 0.00 -0.11 0.40 -1.10 0.23 0.00 0.00 176.35 175.77 1jkk s GLN 38 N -2.24 3.59 0.30 1.70 -0.21 -1.26 -1.27 119.66 120.27 1jkk s GLN 38 Ca 0.52 -0.14 -0.09 0.00 0.02 0.00 0.00 55.36 55.66 1jkk s GLN 38 Cb -0.17 -2.82 0.00 0.00 1.00 0.00 0.00 33.01 31.03 1jkk s GLN 38 CO 0.22 0.42 0.51 0.71 -2.12 0.00 0.00 175.29 175.02 1jkk s TYR 39 N -1.77 0.59 -0.30 0.91 2.02 0.12 -4.42 117.35 114.49 1jkk s TYR 39 Ca 0.41 -0.94 -0.04 0.00 -0.37 0.00 0.00 57.07 56.13 1jkk s TYR 39 Cb -0.12 0.16 0.04 0.00 -0.40 0.00 0.00 41.96 41.64 1jkk s TYR 39 CO 0.26 -1.11 0.03 0.00 -1.57 0.00 0.00 175.55 173.17 1jkk s ALA 40 N -3.48 2.90 -0.36 3.71 0.00 0.27 -0.60 121.76 124.20 1jkk s ALA 40 Ca 0.25 -1.67 -0.21 0.00 0.00 0.00 0.00 51.96 50.33 1jkk s ALA 40 Cb -0.01 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1jkk s ALA 40 CO 0.13 -1.18 0.64 0.00 0.00 0.00 0.00 175.76 175.36 1jkk s ALA 41 N 1.34 3.45 -0.40 0.00 0.00 0.14 -0.22 121.76 126.06 1jkk s ALA 41 Ca -0.02 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 50.92 1jkk s ALA 41 Cb -0.19 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.76 1jkk s ALA 41 CO 0.00 -1.38 0.29 0.21 0.00 0.00 0.00 175.76 174.88 1jkk s LYS 42 N 2.73 3.00 -0.32 0.00 2.20 0.80 -0.67 119.74 127.49 1jkk s LYS 42 Ca 0.25 -0.99 -0.18 0.00 -0.36 0.00 0.00 55.97 54.68 1jkk s LYS 42 Cb -0.14 -3.96 -0.01 0.00 -1.51 0.00 0.00 37.83 32.20 1jkk s LYS 42 CO 0.15 -0.73 0.51 -0.06 -0.36 0.00 0.00 175.35 174.86 1jkk s PHE 43 N 1.68 3.21 -0.18 4.03 0.40 0.06 -0.80 117.98 126.37 1jkk s PHE 43 Ca 0.05 0.32 -0.06 0.00 -0.60 0.00 0.00 56.93 56.65 1jkk s PHE 43 Cb -0.19 -2.85 -0.03 0.00 0.51 0.00 0.00 43.02 40.45 1jkk s PHE 43 CO 0.10 -0.45 0.02 0.42 0.70 0.00 0.00 175.22 176.01 1jkk s ILE 44 N 2.36 4.36 -0.00 0.64 1.01 -0.29 -2.15 121.20 127.13 1jkk s ILE 44 Ca 0.19 -0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.36 1jkk s ILE 44 Cb -0.15 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1jkk s ILE 44 CO 0.12 0.47 1.16 -0.75 0.00 0.00 0.00 174.94 175.94 1jkk s LYS 45 N 0.45 4.42 0.53 2.79 2.47 -0.65 -1.52 119.74 128.23 1jkk s LYS 45 Ca 0.00 1.66 -0.11 0.00 -1.56 0.00 0.00 55.97 55.96 1jkk s LYS 45 Cb -0.13 -3.46 -0.05 0.00 -1.46 0.00 0.00 37.83 32.73 1jkk s LYS 45 CO 0.02 -0.31 0.93 0.15 0.16 0.00 0.00 175.35 176.30 1jkk s LYS 46 N 1.56 3.71 0.18 4.03 1.02 0.14 0.05 119.74 130.43 1jkk s LYS 46 Ca 0.56 0.65 -0.29 0.00 0.02 0.00 0.00 55.97 56.91 1jkk s LYS 46 Cb -0.26 -2.21 -0.08 0.00 -0.52 0.00 0.00 37.83 34.77 1jkk s LYS 46 CO 0.26 -0.33 0.91 1.03 -0.92 0.00 0.00 175.35 176.29 1jkk s ARG 47 N -4.58 4.74 0.14 1.68 0.52 -1.17 -4.48 118.95 115.80 1jkk s ARG 47 Ca 0.54 1.40 0.15 0.00 -0.52 0.00 0.00 55.73 57.29 1jkk s ARG 47 Cb -0.10 -3.31 -0.08 0.00 0.52 0.00 0.00 34.95 31.98 1jkk s ARG 47 CO 0.43 0.43 1.09 0.07 0.02 0.00 0.00 175.30 177.33 1jkk h ARG 48 N 4.66 0.00 -4.55 3.54 0.11 -1.95 -3.48 114.38 112.72 1jkk h ARG 48 Ca -0.45 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.42 1jkk h ARG 48 Cb 1.20 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 32.14 1jkk h ARG 48 CO 0.69 0.46 -0.67 0.95 0.10 0.00 0.00 179.97 181.50 1jkk s THR 49 N -2.89 0.41 0.22 0.08 -4.23 -1.26 -5.06 115.64 102.92 1jkk s THR 49 Ca -0.00 -1.92 -0.08 0.00 -1.18 0.00 0.00 61.69 58.51 1jkk s THR 49 Cb 0.08 -1.90 0.19 0.00 1.34 0.00 0.00 72.50 72.22 1jkk s THR 49 CO 0.79 -0.65 1.88 0.11 -0.54 0.00 0.00 174.62 176.21 1jkk h LYS 50 N 2.88 1.15 -3.00 3.99 1.57 -2.02 -3.26 116.57 117.89 1jkk h LYS 50 Ca -0.35 -0.09 -0.76 0.00 -1.87 0.00 0.00 60.65 57.57 1jkk h LYS 50 Cb 1.18 -0.25 -0.31 0.00 0.08 0.00 0.00 32.23 32.94 1jkk h LYS 50 CO 0.63 0.80 0.41 -1.13 -0.57 0.00 0.00 179.45 179.58 1jkk n SER 51 N -4.44 5.57 -4.09 0.86 3.41 -1.26 -4.99 113.62 108.68 1jkk n SER 51 Ca 0.09 -3.31 -0.15 0.00 -0.26 0.00 0.00 58.87 55.24 1jkk n SER 51 Cb 0.04 -1.18 -0.12 0.00 -0.26 0.00 0.00 64.21 62.70 1jkk n SER 51 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1jkk s SER 52 N -1.04 1.13 -0.11 4.04 0.15 -1.23 -5.04 113.70 111.59 1jkk s SER 52 Ca 0.32 -0.51 0.02 0.00 0.70 0.00 0.00 55.95 56.48 1jkk s SER 52 Cb 0.02 -0.01 -0.24 0.00 -1.71 0.00 0.00 66.02 64.07 1jkk s SER 52 CO 0.02 -0.12 0.39 0.54 1.20 0.00 0.00 173.24 175.27 1jkk n ARG 53 N 1.61 0.70 -2.18 5.44 1.74 -1.26 -4.93 116.66 117.78 1jkk n ARG 53 Ca -0.21 0.24 -0.36 0.00 -0.77 0.00 0.00 57.85 56.75 1jkk n ARG 53 Cb 0.55 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 1jkk n ARG 53 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1jkk s ARG 54 N -2.56 3.47 0.14 5.56 0.52 -1.26 -4.85 118.95 119.97 1jkk s ARG 54 Ca -0.17 1.77 0.00 0.00 -0.52 0.00 0.00 55.73 56.82 1jkk s ARG 54 Cb 0.07 -2.20 0.00 0.00 0.52 0.00 0.00 34.95 33.34 1jkk s ARG 54 CO 0.78 -0.79 0.00 0.41 0.02 0.00 0.00 175.30 175.72 1jkk n GLY 55 N 0.39 -1.98 3.58 -3.53 0.00 -1.26 -4.45 105.19 97.94 1jkk n GLY 55 Ca 0.10 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 1jkk n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jkk s VAL 56 N -2.13 4.01 0.75 1.61 1.01 0.11 -4.70 120.40 121.05 1jkk s VAL 56 Ca 0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 1jkk s VAL 56 Cb 0.00 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.72 1jkk s VAL 56 CO 0.00 0.55 1.18 -0.94 0.00 0.00 0.00 175.10 175.88 1jkk s SER 57 N -0.27 4.18 0.22 3.32 1.04 -1.26 -3.06 113.70 117.87 1jkk s SER 57 Ca 0.05 2.24 -0.08 0.00 0.48 0.00 0.00 55.95 58.64 1jkk s SER 57 Cb -0.13 -2.58 0.24 0.00 0.10 0.00 0.00 66.02 63.66 1jkk s SER 57 CO 0.02 -2.27 1.86 -0.09 0.98 0.00 0.00 173.24 173.74 1jkk h ARG 58 N -0.53 0.93 -0.47 4.02 9.65 -1.98 -2.07 114.38 123.94 1jkk h ARG 58 Ca -0.47 -0.06 0.07 0.00 -1.10 0.00 0.00 59.98 58.43 1jkk h ARG 58 Cb 1.28 -0.21 -0.06 0.00 -1.39 0.00 0.00 29.97 29.59 1jkk h ARG 58 CO 0.49 0.62 0.11 1.49 2.80 0.00 0.00 179.97 185.48 1jkk h GLU 59 N 0.96 0.25 -0.46 0.20 4.81 -1.99 0.41 114.58 118.76 1jkk h GLU 59 Ca 0.32 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.40 1jkk h GLU 59 Cb 0.04 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1jkk h GLU 59 CO -0.12 0.17 -0.23 -0.44 -0.73 0.00 0.00 179.01 177.66 1jkk h ASP 60 N 0.26 0.98 -0.48 1.04 3.32 -1.80 -1.36 116.42 118.38 1jkk h ASP 60 Ca 0.23 -0.37 -0.09 0.00 0.02 0.00 0.00 57.03 56.81 1jkk h ASP 60 Cb 0.28 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1jkk h ASP 60 CO -0.28 1.16 -0.06 0.40 -1.72 0.00 0.00 179.24 178.74 1jkk h ILE 61 N 0.82 1.27 -0.16 0.35 2.04 -1.02 -2.13 117.51 118.67 1jkk h ILE 61 Ca 0.11 -1.16 -0.08 0.00 1.00 0.00 0.00 64.86 64.72 1jkk h ILE 61 Cb 0.80 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1jkk h ILE 61 CO 0.07 0.40 -0.27 -0.33 0.00 0.00 0.00 178.15 178.02 1jkk h GLU 62 N 0.73 0.30 -0.36 2.37 5.08 -0.85 -1.40 114.58 120.45 1jkk h GLU 62 Ca 0.13 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1jkk h GLU 62 Cb 0.59 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1jkk h GLU 62 CO 0.04 0.55 0.01 -0.09 -1.00 0.00 0.00 179.01 178.51 1jkk h ARG 63 N 0.27 0.64 -0.21 2.33 2.43 -0.97 0.77 114.38 119.63 1jkk h ARG 63 Ca 0.04 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1jkk h ARG 63 Cb 0.62 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1jkk h ARG 63 CO 0.04 0.74 0.09 1.49 -1.51 0.00 0.00 179.97 180.83 1jkk h GLU 64 N 0.46 0.31 -0.13 0.20 4.81 -1.12 -1.59 114.58 117.51 1jkk h GLU 64 Ca 0.10 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1jkk h GLU 64 Cb 0.45 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1jkk h GLU 64 CO 0.02 0.36 0.07 0.28 -0.73 0.00 0.00 179.01 179.00 1jkk h VAL 65 N 0.19 1.00 -1.00 0.32 2.07 -1.17 -0.31 116.25 117.34 1jkk h VAL 65 Ca 0.07 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1jkk h VAL 65 Cb 0.16 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1jkk h VAL 65 CO -0.01 0.03 0.66 -1.28 0.02 0.00 0.00 177.57 176.99 1jkk h SER 66 N 0.14 1.11 0.01 0.57 0.87 -0.75 -0.18 113.55 115.33 1jkk h SER 66 Ca 0.05 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.44 1jkk h SER 66 Cb 0.01 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 1jkk h SER 66 CO -0.04 0.77 -0.55 0.40 -0.53 0.00 0.00 176.83 176.88 1jkk h ILE 67 N 1.29 1.32 0.00 2.23 2.04 -1.02 -3.15 117.51 120.22 1jkk h ILE 67 Ca 0.39 -1.80 -0.09 0.00 1.00 0.00 0.00 64.86 64.36 1jkk h ILE 67 Cb -0.04 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1jkk h ILE 67 CO -0.11 0.56 -0.45 -0.07 0.00 0.00 0.00 178.15 178.08 1jkk h LEU 68 N 0.44 0.00 -0.82 1.44 3.38 -0.36 -3.04 115.31 116.36 1jkk h LEU 68 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1jkk h LEU 68 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1jkk h LEU 68 CO 0.11 0.45 -0.30 0.11 0.09 0.00 0.00 178.44 178.89 1jkk h LYS 69 N 0.00 0.00 0.00 1.13 1.57 -1.01 -3.26 116.57 115.00 1jkk h LYS 69 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1jkk h LYS 69 Cb 0.83 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1jkk h LYS 69 CO 0.06 0.30 -0.88 1.49 -0.57 0.00 0.00 179.45 179.84 1jkk h GLU 70 N 0.00 0.00 -6.18 3.15 4.81 -1.53 -3.47 114.58 111.36 1jkk h GLU 70 Ca -0.00 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.65 1jkk h GLU 70 Cb 0.91 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.24 1jkk h GLU 70 CO 0.04 0.51 -0.04 0.96 -0.73 0.00 0.00 179.01 179.74 1jkk s ILE 71 N -2.90 4.80 -0.30 2.32 -4.36 -1.22 -5.05 121.20 114.49 1jkk s ILE 71 Ca 0.01 1.19 0.01 0.00 -0.26 0.00 0.00 60.65 61.61 1jkk s ILE 71 Cb 0.08 -3.89 0.15 0.00 1.25 0.00 0.00 42.46 40.05 1jkk s ILE 71 CO 0.78 0.53 0.37 -1.58 0.24 0.00 0.00 174.94 175.28 1jkk s GLN 72 N -0.90 0.41 -0.09 0.37 2.00 -1.26 -4.76 119.66 115.44 1jkk s GLN 72 Ca 0.29 -0.07 -0.26 0.00 -2.00 0.00 0.00 55.36 53.31 1jkk s GLN 72 Cb -0.19 -0.46 0.06 0.00 0.80 0.00 0.00 33.01 33.22 1jkk s GLN 72 CO 0.18 -1.05 0.61 -1.58 -0.50 0.00 0.00 175.29 172.95 1jkk s HIS 73 N 2.35 -0.59 0.48 1.67 2.46 -1.26 -5.04 115.29 115.36 1jkk s HIS 73 Ca 0.10 1.13 0.24 0.00 0.47 0.00 0.00 55.06 57.00 1jkk s HIS 73 Cb -0.13 0.32 1.28 0.00 -0.13 0.00 0.00 32.58 33.92 1jkk s HIS 73 CO -0.28 -0.51 1.90 -1.35 -2.47 0.00 0.00 174.74 172.02 1jkk h PRO 74 N 3.63 0.18 -0.75 2.88 0.11 -1.99 -2.26 132.00 133.80 1jkk h PRO 74 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1jkk h PRO 74 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1jkk h PRO 74 CO 0.32 0.12 0.00 0.09 -0.21 0.00 0.00 178.00 178.32 1jkk n ASN 75 N -4.40 3.99 -4.20 -2.05 5.03 -1.26 -4.73 115.26 107.64 1jkk n ASN 75 Ca 0.17 -2.00 -0.18 0.00 0.87 0.00 0.00 54.58 53.44 1jkk n ASN 75 Cb 0.77 -0.50 -0.12 0.00 -1.02 0.00 0.00 39.78 38.92 1jkk n ASN 75 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1jkk s VAL 76 N -1.01 1.18 0.47 2.41 -7.23 -0.85 -0.07 120.40 115.31 1jkk s VAL 76 Ca 0.50 -1.50 -0.21 0.00 -1.81 0.00 0.00 61.98 58.96 1jkk s VAL 76 Cb 0.26 -1.28 -0.08 0.00 0.56 0.00 0.00 36.38 35.84 1jkk s VAL 76 CO 0.34 -0.33 1.06 -0.51 -0.31 0.00 0.00 175.10 175.35 1jkk s ILE 77 N -1.72 3.65 0.16 -0.62 1.10 -0.89 -4.51 121.20 118.36 1jkk s ILE 77 Ca 0.03 1.08 0.09 0.00 -0.51 0.00 0.00 60.65 61.34 1jkk s ILE 77 Cb -0.07 -3.47 -0.04 0.00 0.15 0.00 0.00 42.46 39.02 1jkk s ILE 77 CO 0.02 -0.16 -0.15 0.42 -2.11 0.00 0.00 174.94 172.96 1jkk s THR 78 N -1.86 2.93 -0.17 4.00 -4.23 -1.26 -4.88 115.64 110.16 1jkk s THR 78 Ca 0.66 -1.64 -0.17 0.00 -1.18 0.00 0.00 61.69 59.35 1jkk s THR 78 Cb -0.19 -2.40 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 1jkk s THR 78 CO 0.23 -0.02 0.46 -0.22 -0.54 0.00 0.00 174.62 174.53 1jkk s LEU 79 N -2.52 4.19 -0.16 4.79 2.96 -1.26 -0.77 118.68 125.92 1jkk s LEU 79 Ca 0.21 0.66 -0.12 0.00 -0.22 0.00 0.00 54.13 54.66 1jkk s LEU 79 Cb -0.09 -2.63 -0.07 0.00 0.50 0.00 0.00 46.19 43.89 1jkk s LEU 79 CO 0.12 -0.08 -0.05 -0.74 -1.32 0.00 0.00 176.35 174.28 1jkk h HIS 80 N 7.18 0.00 -4.15 5.38 -0.00 -0.39 -3.48 115.15 119.69 1jkk h HIS 80 Ca -0.37 0.00 -0.24 0.00 -0.00 0.00 0.00 60.37 59.76 1jkk h HIS 80 Cb 1.16 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 28.48 1jkk h HIS 80 CO 0.67 0.41 -0.26 -1.21 -0.00 0.00 0.00 177.93 177.54 1jkk s GLU 81 N -2.24 1.72 -0.08 5.26 2.02 -1.12 -5.01 118.70 119.26 1jkk s GLU 81 Ca -0.18 -1.65 -0.03 0.00 0.02 0.00 0.00 54.97 53.13 1jkk s GLU 81 Cb 0.03 0.42 0.05 0.00 0.10 0.00 0.00 34.13 34.72 1jkk s GLU 81 CO 0.31 -0.69 0.15 0.08 0.02 0.00 0.00 175.26 175.13 1jkk s VAL 82 N -3.44 -0.24 0.43 2.63 1.01 -1.26 -1.16 120.40 118.36 1jkk s VAL 82 Ca 0.31 0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.71 1jkk s VAL 82 Cb 0.01 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 1jkk s VAL 82 CO 0.17 0.15 0.14 -0.31 0.00 0.00 0.00 175.10 175.26 1jkk s TYR 83 N 2.24 2.47 0.08 5.22 1.51 0.27 -2.66 117.35 126.49 1jkk s TYR 83 Ca 0.03 -0.65 -0.26 0.00 -1.01 0.00 0.00 57.07 55.18 1jkk s TYR 83 Cb -0.12 -1.90 0.08 0.00 -0.11 0.00 0.00 41.96 39.92 1jkk s TYR 83 CO -0.06 0.20 0.81 -1.83 -1.11 0.00 0.00 175.55 173.57 1jkk s GLU 84 N -3.88 1.06 0.21 -0.62 -1.05 -0.84 0.12 118.70 113.70 1jkk s GLU 84 Ca 0.37 -0.45 -0.05 0.00 -0.15 0.00 0.00 54.97 54.69 1jkk s GLU 84 Cb 0.05 0.45 0.02 0.00 -0.44 0.00 0.00 34.13 34.21 1jkk s GLU 84 CO 0.20 -0.47 0.36 0.27 0.95 0.00 0.00 175.26 176.57 1jkk n ASN 85 N -0.33 -1.04 -0.33 0.83 0.23 0.01 -4.37 115.26 110.26 1jkk n ASN 85 Ca -0.10 -1.99 0.14 0.00 -0.53 0.00 0.00 54.58 52.09 1jkk n ASN 85 Cb 0.62 1.82 0.33 0.00 -2.08 0.00 0.00 39.78 40.47 1jkk n ASN 85 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1jkk h LYS 86 N 0.00 0.54 0.00 -3.83 1.79 -2.02 -3.20 116.57 109.84 1jkk h LYS 86 Ca -0.17 -0.03 -0.35 0.00 -2.18 0.00 0.00 60.65 57.91 1jkk h LYS 86 Cb 0.69 -0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 31.15 1jkk h LYS 86 CO 0.23 0.36 -2.21 0.25 -1.08 0.00 0.00 179.45 176.99 1jkk n THR 87 N -4.92 1.46 -4.21 -0.16 -2.24 -1.26 -4.84 114.28 98.10 1jkk n THR 87 Ca 0.23 -0.83 -0.12 0.00 -2.27 0.00 0.00 64.05 61.06 1jkk n THR 87 Cb 0.65 -0.66 -0.10 0.00 -2.10 0.00 0.00 70.33 68.12 1jkk n THR 87 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1jkk s ASP 88 N -5.70 0.87 -0.12 3.42 1.01 -1.21 0.23 116.67 115.17 1jkk s ASP 88 Ca -0.10 -1.20 0.01 0.00 0.71 0.00 0.00 52.55 51.98 1jkk s ASP 88 Cb 0.07 0.19 -0.01 0.00 1.01 0.00 0.00 42.92 44.18 1jkk s ASP 88 CO 0.82 -0.64 -0.17 -0.69 0.21 0.00 0.00 175.17 174.69 1jkk s VAL 89 N -3.81 2.63 -0.31 -1.27 1.01 -0.57 -0.81 120.40 117.26 1jkk s VAL 89 Ca 0.25 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 1jkk s VAL 89 Cb 0.07 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.39 1jkk s VAL 89 CO 0.04 0.54 0.09 -0.63 0.00 0.00 0.00 175.10 175.13 1jkk s ILE 90 N 0.41 3.91 -0.27 2.22 1.09 0.31 -1.14 121.20 127.73 1jkk s ILE 90 Ca -0.13 -0.84 -0.17 0.00 -1.10 0.00 0.00 60.65 58.41 1jkk s ILE 90 Cb -0.17 -3.08 -0.03 0.00 -1.06 0.00 0.00 42.46 38.13 1jkk s ILE 90 CO 0.06 -0.01 0.48 -0.76 -0.10 0.00 0.00 174.94 174.62 1jkk s LEU 91 N 1.47 4.08 -0.57 2.97 1.43 0.02 -0.56 118.68 127.51 1jkk s LEU 91 Ca 0.01 0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 53.32 1jkk s LEU 91 Cb -0.18 -2.60 0.07 0.00 0.03 0.00 0.00 46.19 43.51 1jkk s LEU 91 CO 0.03 -0.29 0.76 -0.63 0.23 0.00 0.00 176.35 176.45 1jkk s ILE 92 N 2.27 4.68 0.35 -0.59 -1.09 -0.31 -0.14 121.20 126.37 1jkk s ILE 92 Ca 0.20 -0.52 0.07 0.00 -2.23 0.00 0.00 60.65 58.17 1jkk s ILE 92 Cb -0.16 -4.47 -0.02 0.00 -1.58 0.00 0.00 42.46 36.24 1jkk s ILE 92 CO 0.10 -1.07 0.36 -0.76 -1.23 0.00 0.00 174.94 172.34 1jkk s LEU 93 N 3.10 3.66 0.18 2.97 1.43 0.70 0.38 118.68 131.10 1jkk s LEU 93 Ca 0.17 -0.45 -0.31 0.00 -1.03 0.00 0.00 54.13 52.51 1jkk s LEU 93 Cb -0.19 -2.35 -0.10 0.00 0.03 0.00 0.00 46.19 43.58 1jkk s LEU 93 CO 0.11 -0.43 1.50 -0.70 0.23 0.00 0.00 176.35 177.05 1jkk s GLU 94 N -4.08 4.25 0.21 1.70 2.12 0.05 -0.56 118.70 122.39 1jkk s GLU 94 Ca 0.44 2.29 -0.30 0.00 0.36 0.00 0.00 54.97 57.76 1jkk s GLU 94 Cb -0.07 -3.16 -0.08 0.00 0.26 0.00 0.00 34.13 31.08 1jkk s GLU 94 CO 0.28 -0.52 1.07 -1.17 -0.54 0.00 0.00 175.26 174.38 1jkk s LEU 95 N 0.71 4.53 -0.33 2.70 2.96 -1.26 -4.52 118.68 123.47 1jkk s LEU 95 Ca 0.66 2.10 0.00 0.00 -0.22 0.00 0.00 54.13 56.67 1jkk s LEU 95 Cb -0.42 -3.61 0.10 0.00 0.50 0.00 0.00 46.19 42.77 1jkk s LEU 95 CO 0.34 -0.14 0.10 -0.69 -1.32 0.00 0.00 176.35 174.65 1jkk s VAL 96 N -0.58 1.22 -1.00 1.68 1.01 -1.26 -4.99 120.40 116.47 1jkk s VAL 96 Ca 0.47 -1.72 0.13 0.00 0.00 0.00 0.00 61.98 60.87 1jkk s VAL 96 Cb -0.29 -1.91 0.59 0.00 0.00 0.00 0.00 36.38 34.78 1jkk s VAL 96 CO 0.36 -0.69 1.46 0.00 0.00 0.00 0.00 175.10 176.23 1jkk n ALA 97 N 4.59 3.15 1.34 5.51 0.00 -1.26 -4.25 120.51 129.60 1jkk n ALA 97 Ca 0.00 -1.32 0.13 0.00 0.00 0.00 0.00 53.44 52.26 1jkk n ALA 97 Cb 0.41 -1.05 0.39 0.00 0.00 0.00 0.00 19.45 19.20 1jkk n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jkk n GLY 98 N 0.83 0.30 0.00 0.00 0.00 0.11 -4.86 105.19 101.57 1jkk n GLY 98 Ca 0.21 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1jkk n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkk n GLY 99 N 1.23 -1.07 3.78 -0.02 0.00 -1.23 -4.11 105.19 103.77 1jkk n GLY 99 Ca 0.17 -1.62 -0.37 0.00 0.00 0.00 0.00 46.02 44.21 1jkk n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jkk s GLU 100 N -2.39 3.96 0.50 1.61 2.02 -1.26 -0.69 118.70 122.45 1jkk s GLU 100 Ca 0.00 1.63 0.15 0.00 0.02 0.00 0.00 54.97 56.77 1jkk s GLU 100 Cb 0.00 -2.46 1.20 0.00 0.10 0.00 0.00 34.13 32.97 1jkk s GLU 100 CO 0.00 -0.35 2.11 1.25 0.02 0.00 0.00 175.26 178.30 1jkk h LEU 101 N 2.25 0.01 0.33 1.80 5.85 -0.34 -2.01 115.31 123.20 1jkk h LEU 101 Ca -0.49 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 1jkk h LEU 101 Cb 1.23 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1jkk h LEU 101 CO 0.61 0.05 -0.30 0.15 -0.34 0.00 0.00 178.44 178.61 1jkk h PHE 102 N 0.01 -0.81 -0.21 1.25 3.57 -1.75 0.18 116.94 119.19 1jkk h PHE 102 Ca 0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 1jkk h PHE 102 Cb 0.07 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1jkk h PHE 102 CO 0.00 -0.44 -0.08 -0.44 -2.23 0.00 0.00 178.31 175.12 1jkk h ASP 103 N -0.65 0.31 0.32 0.41 3.32 -1.78 0.83 116.42 119.18 1jkk h ASP 103 Ca -0.02 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 1jkk h ASP 103 Cb 0.59 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1jkk h ASP 103 CO -0.04 0.44 -0.15 0.15 -1.72 0.00 0.00 179.24 177.91 1jkk h PHE 104 N 0.32 -0.40 -0.57 4.55 3.04 -0.97 -1.97 116.94 120.94 1jkk h PHE 104 Ca 0.07 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.03 1jkk h PHE 104 Cb 0.35 0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.96 1jkk h PHE 104 CO 0.01 -0.11 0.38 -0.07 -2.02 0.00 0.00 178.31 176.49 1jkk h LEU 105 N -0.65 0.62 -0.91 0.59 3.38 -0.34 -1.40 115.31 116.59 1jkk h LEU 105 Ca -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1jkk h LEU 105 Cb 0.46 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1jkk h LEU 105 CO 0.07 0.44 0.50 0.00 0.09 0.00 0.00 178.44 179.54 1jkk h ALA 106 N 1.66 1.16 0.00 1.53 0.00 -0.62 0.39 119.26 123.38 1jkk h ALA 106 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jkk h ALA 106 Cb -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.42 1jkk h ALA 106 CO -0.05 0.66 0.00 0.93 0.00 0.00 0.00 179.25 180.79 1jkk h GLU 107 N 1.27 0.00 -0.01 0.00 5.08 -0.50 -3.32 114.58 117.10 1jkk h GLU 107 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1jkk h GLU 107 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1jkk h GLU 107 CO -0.05 0.00 -0.23 1.63 -1.00 0.00 0.00 179.01 179.36 1jkk n LYS 108 N -2.67 2.47 0.00 2.33 5.02 -0.81 -5.03 118.16 119.48 1jkk n LYS 108 Ca 0.04 -0.48 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 1jkk n LYS 108 Cb 0.44 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 1jkk n LYS 108 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1jkk n GLU 109 N -0.43 0.00 -3.93 1.97 -0.00 0.08 -4.70 120.64 113.63 1jkk n GLU 109 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.16 57.10 1jkk n GLU 109 Cb 0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 31.44 31.52 1jkk n GLU 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1jkk s SER 110 N -3.25 0.15 0.44 -1.84 0.15 -1.26 -4.26 113.70 103.82 1jkk s SER 110 Ca 0.00 -0.37 0.07 0.00 0.70 0.00 0.00 55.95 56.35 1jkk s SER 110 Cb 0.00 0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.44 1jkk s SER 110 CO 0.00 -0.32 0.37 -0.76 1.20 0.00 0.00 173.24 173.73 1jkk s LEU 111 N -1.40 3.27 0.51 3.45 1.43 -1.16 -5.08 118.68 119.71 1jkk s LEU 111 Ca -0.15 -0.85 -0.05 0.00 -1.03 0.00 0.00 54.13 52.05 1jkk s LEU 111 Cb -0.09 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 1jkk s LEU 111 CO 0.00 -0.71 0.82 0.42 0.23 0.00 0.00 176.35 177.11 1jkk s THR 112 N -2.53 4.49 0.49 5.49 -4.23 -1.26 -4.75 115.64 113.34 1jkk s THR 112 Ca 0.46 0.12 0.14 0.00 -1.18 0.00 0.00 61.69 61.23 1jkk s THR 112 Cb -0.02 -3.73 0.27 0.00 1.34 0.00 0.00 72.50 70.36 1jkk s THR 112 CO 0.27 -0.72 2.13 -0.33 -0.54 0.00 0.00 174.62 175.43 1jkk h GLU 113 N 0.10 0.14 0.01 3.99 5.08 -1.96 0.16 114.58 122.10 1jkk h GLU 113 Ca -0.46 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1jkk h GLU 113 Cb 1.22 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1jkk h GLU 113 CO 0.61 0.09 -0.01 0.93 -1.00 0.00 0.00 179.01 179.64 1jkk h GLU 114 N 0.14 -0.02 -0.44 2.33 4.39 -1.98 0.65 114.58 119.65 1jkk h GLU 114 Ca 0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1jkk h GLU 114 Cb -0.01 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1jkk h GLU 114 CO -0.01 0.38 0.27 0.93 -1.16 0.00 0.00 179.01 179.42 1jkk h GLU 115 N -0.41 0.60 -0.16 2.33 5.08 -1.79 -0.75 114.58 119.47 1jkk h GLU 115 Ca -0.00 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1jkk h GLU 115 Cb 0.40 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1jkk h GLU 115 CO 0.00 0.43 -0.05 0.00 -1.00 0.00 0.00 179.01 178.39 1jkk h ALA 116 N 1.13 0.10 0.00 3.43 0.00 -0.65 -2.04 119.26 121.23 1jkk h ALA 116 Ca 0.16 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1jkk h ALA 116 Cb -0.02 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jkk h ALA 116 CO -0.03 -0.49 -0.12 1.79 0.00 0.00 0.00 179.25 180.40 1jkk h THR 117 N -0.02 0.46 -0.34 0.00 1.35 -0.50 0.17 112.91 114.03 1jkk h THR 117 Ca 0.08 -0.60 -0.09 0.00 -0.55 0.00 0.00 66.41 65.26 1jkk h THR 117 Cb 0.14 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 1jkk h THR 117 CO -0.18 0.11 -0.12 -0.33 -0.25 0.00 0.00 175.52 174.76 1jkk h GLU 118 N 0.00 0.69 0.00 4.72 4.39 -0.44 -1.09 114.58 122.85 1jkk h GLU 118 Ca -0.00 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.42 1jkk h GLU 118 Cb 0.40 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1jkk h GLU 118 CO 0.02 0.87 -0.00 0.74 -1.16 0.00 0.00 179.01 179.48 1jkk h PHE 119 N 0.47 -0.00 -0.68 4.33 0.05 -0.95 -3.25 116.94 116.91 1jkk h PHE 119 Ca 0.08 -0.00 0.11 0.00 3.82 0.00 0.00 57.97 61.98 1jkk h PHE 119 Cb 0.64 0.00 -0.08 0.00 2.00 0.00 0.00 35.95 38.51 1jkk h PHE 119 CO 0.05 0.54 0.28 1.25 -0.18 0.00 0.00 178.31 180.26 1jkk h LEU 120 N -0.54 0.31 -1.20 1.54 7.12 -0.67 -1.79 115.31 120.08 1jkk h LEU 120 Ca -0.00 0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.08 1jkk h LEU 120 Cb 0.54 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.68 1jkk h LEU 120 CO 0.00 0.17 0.41 0.11 -0.13 0.00 0.00 178.44 178.99 1jkk h LYS 121 N 0.48 0.95 -0.30 1.25 1.57 -1.28 0.16 116.57 119.40 1jkk h LYS 121 Ca 0.35 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.93 1jkk h LYS 121 Cb 0.44 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1jkk h LYS 121 CO -0.32 0.68 -0.23 1.96 -0.57 0.00 0.00 179.45 180.97 1jkk h GLN 122 N 0.96 0.69 -0.74 3.15 4.20 -1.39 -0.95 115.11 121.03 1jkk h GLN 122 Ca 0.25 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1jkk h GLN 122 Cb -0.02 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1jkk h GLN 122 CO -0.04 0.94 0.38 0.82 -0.67 0.00 0.00 178.83 180.26 1jkk h ILE 123 N 0.44 1.23 -0.49 2.54 2.04 -0.90 -0.02 117.51 122.36 1jkk h ILE 123 Ca 0.06 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.23 1jkk h ILE 123 Cb 0.78 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1jkk h ILE 123 CO 0.06 0.27 0.08 -0.07 0.00 0.00 0.00 178.15 178.49 1jkk h LEU 124 N 1.04 0.78 -0.70 1.44 3.38 -0.59 0.14 115.31 120.80 1jkk h LEU 124 Ca 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1jkk h LEU 124 Cb 0.08 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1jkk h LEU 124 CO -0.04 0.84 0.41 0.78 0.09 0.00 0.00 178.44 180.53 1jkk h ASN 125 N 0.69 0.85 -0.57 -0.43 2.35 -0.83 0.60 115.58 118.24 1jkk h ASN 125 Ca 0.15 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 1jkk h ASN 125 Cb 0.39 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 1jkk h ASN 125 CO 0.01 0.68 0.11 1.23 -1.65 0.00 0.00 177.43 177.80 1jkk h GLY 126 N 0.96 1.05 1.87 2.83 0.00 -0.61 -1.93 103.07 107.24 1jkk h GLY 126 Ca 0.25 -0.67 -0.18 0.00 0.00 0.00 0.00 47.33 46.73 1jkk h GLY 126 CO -0.04 0.62 -0.82 -2.08 0.00 0.00 0.00 176.54 174.22 1jkk h VAL 127 N 0.93 1.52 -0.44 4.60 2.07 -0.42 -2.61 116.25 121.89 1jkk h VAL 127 Ca 0.19 -2.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.08 1jkk h VAL 127 Cb 0.39 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 1jkk h VAL 127 CO 0.01 0.75 0.18 0.22 0.02 0.00 0.00 177.57 178.75 1jkk h TYR 128 N 0.07 0.66 0.08 1.57 3.20 0.46 0.94 116.97 123.95 1jkk h TYR 128 Ca -0.03 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.80 1jkk h TYR 128 Cb 1.43 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 1jkk h TYR 128 CO 0.02 0.57 -0.10 -0.92 -1.64 0.00 0.00 178.16 176.09 1jkk h TYR 129 N 0.56 -0.25 0.03 -3.82 3.20 -1.30 -0.49 116.97 114.91 1jkk h TYR 129 Ca 0.15 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1jkk h TYR 129 Cb 0.19 0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1jkk h TYR 129 CO 0.00 -0.15 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.29 1jkk h LEU 130 N -0.21 -0.03 -1.54 2.82 3.38 -1.23 -2.51 115.31 115.99 1jkk h LEU 130 Ca 0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1jkk h LEU 130 Cb 0.21 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1jkk h LEU 130 CO -0.04 -0.02 0.33 0.45 0.09 0.00 0.00 178.44 179.25 1jkk h HIS 131 N -0.04 0.58 0.00 1.13 3.86 -0.73 0.99 115.15 120.94 1jkk h HIS 131 Ca -0.00 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1jkk h HIS 131 Cb 0.03 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.30 1jkk h HIS 131 CO -0.08 0.35 -0.04 0.77 0.86 0.00 0.00 177.93 179.79 1jkk h SER 132 N 0.62 0.00 -0.64 2.45 0.02 -0.65 0.66 113.55 116.01 1jkk h SER 132 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1jkk h SER 132 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1jkk h SER 132 CO -0.05 0.04 0.00 0.18 -1.14 0.00 0.00 176.83 175.86 1jkk n LEU 133 N -4.34 3.52 -3.41 5.07 4.77 0.14 -4.92 117.00 117.83 1jkk n LEU 133 Ca -0.03 -1.76 -0.22 0.00 -0.03 0.00 0.00 56.01 53.97 1jkk n LEU 133 Cb 0.12 -0.44 0.08 0.00 -2.33 0.00 0.00 43.42 40.85 1jkk n LEU 133 CO 0.33 0.85 0.23 0.00 -1.33 0.00 0.00 177.39 177.47 1jkk n GLN 134 N 1.34 -7.49 -3.84 3.23 1.13 0.22 -4.84 117.38 107.13 1jkk n GLN 134 Ca 0.22 0.78 -0.36 0.00 -1.94 0.00 0.00 57.00 55.70 1jkk n GLN 134 Cb 0.57 -5.69 -0.13 0.00 0.11 0.00 0.00 30.24 25.09 1jkk n GLN 134 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jkk s ILE 135 N -3.30 3.76 -0.22 5.09 1.01 -0.04 0.24 121.20 127.73 1jkk s ILE 135 Ca 0.53 -0.39 -0.13 0.00 0.00 0.00 0.00 60.65 60.67 1jkk s ILE 135 Cb -0.23 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 1jkk s ILE 135 CO 0.69 0.37 0.26 0.00 0.00 0.00 0.00 174.94 176.25 1jkk s ALA 136 N 1.53 3.59 -0.05 9.38 0.00 0.30 -3.73 121.76 132.79 1jkk s ALA 136 Ca 0.06 -0.70 -0.25 0.00 0.00 0.00 0.00 51.96 51.07 1jkk s ALA 136 Cb -0.15 -2.43 -0.23 0.00 0.00 0.00 0.00 23.12 20.31 1jkk s ALA 136 CO -0.00 -0.18 1.05 1.25 0.00 0.00 0.00 175.76 177.87 1jkk h HIS 137 N 7.33 0.19 0.00 0.00 2.76 -1.89 0.27 115.15 123.81 1jkk h HIS 137 Ca -0.38 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 1jkk h HIS 137 Cb 1.16 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.10 1jkk h HIS 137 CO 0.66 0.87 0.00 1.19 -1.30 0.00 0.00 177.93 179.35 1jkk n PHE 138 N -4.58 0.00 -2.81 5.26 3.72 -1.26 -2.63 117.46 115.17 1jkk n PHE 138 Ca -0.09 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.30 1jkk n PHE 138 Cb 0.45 -1.12 0.06 0.00 -0.94 0.00 0.00 39.48 37.94 1jkk n PHE 138 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1jkk n ASP 139 N -0.21 1.07 -4.68 4.37 2.03 -1.26 -4.61 116.55 113.26 1jkk n ASP 139 Ca 0.00 -2.08 -0.43 0.00 0.52 0.00 0.00 54.79 52.80 1jkk n ASP 139 Cb 0.11 -0.29 -0.02 0.00 -0.72 0.00 0.00 41.12 40.19 1jkk n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1jkk s LEU 140 N -3.83 4.24 -0.03 -2.67 1.43 -1.26 -4.76 118.68 111.79 1jkk s LEU 140 Ca 0.24 1.66 -0.30 0.00 -1.03 0.00 0.00 54.13 54.70 1jkk s LEU 140 Cb 0.35 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 43.12 1jkk s LEU 140 CO -0.05 -0.57 0.98 -1.59 0.23 0.00 0.00 176.35 175.35 1jkk s LYS 141 N 2.41 0.72 0.36 1.70 -2.85 -1.26 -4.87 119.74 115.95 1jkk s LYS 141 Ca 0.52 -0.29 0.17 0.00 -1.00 0.00 0.00 55.97 55.37 1jkk s LYS 141 Cb -0.21 0.32 1.13 0.00 -2.06 0.00 0.00 37.83 37.01 1jkk s LYS 141 CO 0.18 -0.32 1.67 -1.35 0.10 0.00 0.00 175.35 175.63 1jkk h PRO 142 N 2.00 0.29 0.00 1.78 0.11 -1.93 0.22 132.00 134.47 1jkk h PRO 142 Ca -0.20 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1jkk h PRO 142 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1jkk h PRO 142 CO 0.28 0.19 0.00 0.93 -0.21 0.00 0.00 178.00 179.20 1jkk h GLU 143 N 0.30 0.00 -0.53 1.05 3.07 -1.95 -2.80 114.58 113.72 1jkk h GLU 143 Ca 0.74 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.43 1jkk h GLU 143 Cb 1.77 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 29.59 1jkk h GLU 143 CO -0.56 0.00 0.13 0.09 -1.40 0.00 0.00 179.01 177.27 1jkk n ASN 144 N -3.08 3.95 -3.95 1.42 3.02 0.77 -4.85 115.26 112.54 1jkk n ASN 144 Ca -0.00 -3.32 -0.28 0.00 -0.03 0.00 0.00 54.58 50.95 1jkk n ASN 144 Cb 0.26 -0.67 -0.17 0.00 -0.61 0.00 0.00 39.78 38.60 1jkk n ASN 144 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jkk s ILE 145 N -3.03 1.24 0.07 2.41 1.01 -1.10 -1.18 121.20 120.62 1jkk s ILE 145 Ca 0.49 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.73 1jkk s ILE 145 Cb 0.41 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 1jkk s ILE 145 CO 0.09 0.37 -0.03 -0.04 0.00 0.00 0.00 174.94 175.33 1jkk s MET 146 N 1.62 2.51 0.05 2.79 -1.94 -0.30 -0.06 119.30 123.97 1jkk s MET 146 Ca 0.04 -0.82 0.00 0.00 -1.71 0.00 0.00 55.69 53.20 1jkk s MET 146 Cb -0.13 -2.51 -0.04 0.00 2.01 0.00 0.00 34.83 34.16 1jkk s MET 146 CO -0.09 0.56 0.19 -0.51 -0.01 0.00 0.00 175.02 175.15 1jkk s LEU 147 N -2.04 4.27 0.03 -0.03 1.02 0.14 -1.21 118.68 120.86 1jkk s LEU 147 Ca 0.23 0.24 -0.11 0.00 0.02 0.00 0.00 54.13 54.50 1jkk s LEU 147 Cb -0.11 -2.84 -0.33 0.00 0.02 0.00 0.00 46.19 42.93 1jkk s LEU 147 CO 0.15 0.18 0.98 -0.07 0.02 0.00 0.00 176.35 177.61 1jkk h LEU 148 N 3.22 0.67 -6.76 1.79 3.38 -1.53 0.30 115.31 116.38 1jkk h LEU 148 Ca -0.46 -0.76 -0.12 0.00 0.09 0.00 0.00 57.88 56.63 1jkk h LEU 148 Cb 1.16 -0.22 -0.29 0.00 0.09 0.00 0.00 40.66 41.41 1jkk h LEU 148 CO 0.73 1.61 -0.43 -0.62 0.09 0.00 0.00 178.44 179.82 1jkk s ASP 149 N -7.38 -0.01 0.00 -0.43 -1.08 -1.26 -2.83 116.67 103.67 1jkk s ASP 149 Ca -0.08 0.58 0.15 0.00 -0.52 0.00 0.00 52.55 52.68 1jkk s ASP 149 Cb 0.05 1.23 0.50 0.00 -1.46 0.00 0.00 42.92 43.24 1jkk s ASP 149 CO 0.91 -0.27 1.38 -2.11 0.52 0.00 0.00 175.17 175.60 1jkk n ARG 150 N 5.38 1.78 -1.28 4.34 0.00 -1.26 -4.00 116.66 121.63 1jkk n ARG 150 Ca -0.06 -1.20 -0.26 0.00 -0.00 0.00 0.00 57.85 56.33 1jkk n ARG 150 Cb 0.50 -1.33 0.13 0.00 -0.00 0.00 0.00 32.46 31.76 1jkk n ARG 150 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1jkk n ASN 151 N 0.45 5.26 -4.16 2.89 3.02 -1.26 -4.93 115.26 116.53 1jkk n ASN 151 Ca 0.14 -3.72 -0.20 0.00 -0.03 0.00 0.00 54.58 50.78 1jkk n ASN 151 Cb 0.31 -0.84 -0.13 0.00 -0.61 0.00 0.00 39.78 38.52 1jkk n ASN 151 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jkk s VAL 152 N -4.00 1.14 0.57 2.41 1.01 -1.26 -5.05 120.40 115.24 1jkk s VAL 152 Ca 0.58 -1.15 0.27 0.00 0.00 0.00 0.00 61.98 61.68 1jkk s VAL 152 Cb 0.48 -1.06 0.34 0.00 0.00 0.00 0.00 36.38 36.14 1jkk s VAL 152 CO 0.04 -0.09 2.18 1.55 0.00 0.00 0.00 175.10 178.78 1jkk h PRO 153 N 4.62 0.00 -2.23 2.72 0.13 -1.94 -3.29 132.00 132.01 1jkk h PRO 153 Ca -0.40 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.15 1jkk h PRO 153 Cb 1.18 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.93 1jkk h PRO 153 CO 0.42 0.00 -1.01 1.63 -0.23 0.00 0.00 178.00 178.81 1jkk n LYS 154 N -3.99 0.50 -1.72 0.86 5.02 -1.26 -5.05 118.16 112.52 1jkk n LYS 154 Ca -0.01 -3.27 -0.43 0.00 -2.02 0.00 0.00 58.31 52.58 1jkk n LYS 154 Cb 0.17 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.64 1jkk n LYS 154 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1jkk n PRO 155 N 2.19 2.46 -3.18 1.97 -0.02 -1.24 -5.00 135.00 132.19 1jkk n PRO 155 Ca 0.26 0.88 -0.37 0.00 -2.02 0.00 0.00 63.50 62.25 1jkk n PRO 155 Cb 0.49 -2.62 -0.06 0.00 -0.02 0.00 0.00 33.50 31.30 1jkk n PRO 155 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jkk s ARG 156 N -0.40 4.21 0.30 -0.52 1.81 -1.26 -4.86 118.95 118.22 1jkk s ARG 156 Ca 0.66 0.79 0.09 0.00 -1.72 0.00 0.00 55.73 55.55 1jkk s ARG 156 Cb -0.55 -2.99 -0.06 0.00 -0.45 0.00 0.00 34.95 30.90 1jkk s ARG 156 CO 0.48 0.47 -0.10 0.96 -0.68 0.00 0.00 175.30 176.43 1jkk s ILE 157 N -1.40 2.02 -0.01 1.52 -5.25 -1.26 -1.37 121.20 115.44 1jkk s ILE 157 Ca 0.39 -2.21 -0.02 0.00 -0.99 0.00 0.00 60.65 57.82 1jkk s ILE 157 Cb -0.17 -2.48 -0.00 0.00 2.95 0.00 0.00 42.46 42.75 1jkk s ILE 157 CO 0.21 -0.29 0.04 -0.54 -1.79 0.00 0.00 174.94 172.57 1jkk s LYS 158 N -3.64 0.17 0.16 0.37 1.02 -0.35 -4.42 119.74 113.04 1jkk s LYS 158 Ca 0.30 -0.13 -0.22 0.00 0.02 0.00 0.00 55.97 55.94 1jkk s LYS 158 Cb 0.02 0.07 -0.08 0.00 -0.52 0.00 0.00 37.83 37.32 1jkk s LYS 158 CO 0.14 -0.03 0.70 0.42 -0.92 0.00 0.00 175.35 175.66 1jkk s ILE 159 N -0.46 4.53 0.07 2.17 1.01 0.91 -1.15 121.20 128.28 1jkk s ILE 159 Ca -0.05 1.43 0.01 0.00 0.00 0.00 0.00 60.65 62.04 1jkk s ILE 159 Cb -0.03 -3.98 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 1jkk s ILE 159 CO -0.00 0.43 0.02 2.30 0.00 0.00 0.00 174.94 177.69 1jkk n ILE 160 N 1.33 0.00 -3.06 2.92 -5.35 -0.33 -2.09 119.36 112.77 1jkk n ILE 160 Ca -0.06 -0.41 -0.18 0.00 -0.27 0.00 0.00 62.75 61.83 1jkk n ILE 160 Cb 0.50 0.14 0.02 0.00 -1.74 0.00 0.00 39.64 38.56 1jkk n ILE 160 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1jkk n ASP 161 N -1.83 -7.18 -1.80 7.28 2.03 -1.26 -4.86 116.55 108.93 1jkk n ASP 161 Ca -0.01 0.31 -0.14 0.00 0.52 0.00 0.00 54.79 55.47 1jkk n ASP 161 Cb 0.11 -4.21 0.14 0.00 -0.72 0.00 0.00 41.12 36.44 1jkk n ASP 161 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1jkk n PHE 162 N -0.27 2.04 0.27 -0.67 3.01 -1.26 -4.47 117.46 116.11 1jkk n PHE 162 Ca 0.05 -1.32 0.12 0.00 1.01 0.00 0.00 57.45 57.32 1jkk n PHE 162 Cb 0.53 -0.69 0.76 0.00 -0.01 0.00 0.00 39.48 40.07 1jkk n PHE 162 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1jkk h GLY 163 N 2.22 0.00 -0.81 1.37 0.00 -1.91 -2.78 103.07 101.17 1jkk h GLY 163 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1jkk h GLY 163 CO 0.71 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.29 1jkk n LEU 164 N -3.83 1.84 -4.76 3.11 4.77 -1.26 -4.89 117.00 111.99 1jkk n LEU 164 Ca -0.02 -1.01 -0.39 0.00 -0.03 0.00 0.00 56.01 54.56 1jkk n LEU 164 Cb 0.18 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1jkk n LEU 164 CO 0.30 0.36 1.04 0.00 -1.33 0.00 0.00 177.39 177.76 1jkk s ALA 165 N -0.83 3.05 0.01 -1.18 0.00 -1.05 -4.66 121.76 117.10 1jkk s ALA 165 Ca 0.12 1.42 -0.04 0.00 0.00 0.00 0.00 51.96 53.45 1jkk s ALA 165 Cb 0.08 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 1jkk s ALA 165 CO 0.13 -1.29 0.07 -1.01 0.00 0.00 0.00 175.76 173.65 1jkk s HIS 166 N -1.24 0.14 0.14 0.00 3.76 0.09 -4.81 115.29 113.36 1jkk s HIS 166 Ca 0.66 -0.31 -0.27 0.00 -0.15 0.00 0.00 55.06 55.00 1jkk s HIS 166 Cb -0.43 -0.11 -0.07 0.00 1.11 0.00 0.00 32.58 33.08 1jkk s HIS 166 CO 0.53 -0.25 0.83 0.15 -0.85 0.00 0.00 174.74 175.15 1jkk s LYS 167 N -1.42 4.62 -0.74 1.40 -0.14 -1.26 -0.54 119.74 121.67 1jkk s LYS 167 Ca -0.15 1.24 0.03 0.00 -1.36 0.00 0.00 55.97 55.73 1jkk s LYS 167 Cb -0.09 -3.31 0.18 0.00 -1.68 0.00 0.00 37.83 32.93 1jkk s LYS 167 CO 0.00 0.43 0.54 0.42 -0.76 0.00 0.00 175.35 175.99 1jkk s ILE 168 N -0.67 3.21 -0.75 2.17 -1.09 0.14 -4.89 121.20 119.31 1jkk s ILE 168 Ca 0.39 -4.14 0.24 0.00 -2.23 0.00 0.00 60.65 54.92 1jkk s ILE 168 Cb -0.23 -3.08 0.02 0.00 -1.58 0.00 0.00 42.46 37.59 1jkk s ILE 168 CO 0.27 -1.01 1.32 0.47 -1.23 0.00 0.00 174.94 174.76 1jkk n ASP 169 N 2.12 0.62 -0.83 3.58 8.00 -1.26 -4.04 116.55 124.73 1jkk n ASP 169 Ca 0.19 -0.02 0.06 0.00 0.71 0.00 0.00 54.79 55.73 1jkk n ASP 169 Cb 0.35 0.25 0.23 0.00 -0.02 0.00 0.00 41.12 41.93 1jkk n ASP 169 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1jkk n PHE 170 N -1.90 0.83 0.00 1.24 3.01 -1.26 -4.95 117.46 114.42 1jkk n PHE 170 Ca 0.04 -1.08 0.00 0.00 1.01 0.00 0.00 57.45 57.41 1jkk n PHE 170 Cb 0.41 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1jkk n PHE 170 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jkk n GLY 171 N -0.82 2.77 3.57 1.37 0.00 -1.26 -4.90 105.19 105.92 1jkk n GLY 171 Ca 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.11 1jkk n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jkk s ASN 172 N -0.44 -0.60 0.03 1.61 2.20 -1.26 -4.56 114.94 111.91 1jkk s ASN 172 Ca 0.00 0.83 0.06 0.00 -0.94 0.00 0.00 52.86 52.81 1jkk s ASN 172 Cb 0.00 0.73 -0.03 0.00 -2.00 0.00 0.00 41.25 39.95 1jkk s ASN 172 CO 0.00 -0.44 -0.15 -1.61 -2.94 0.00 0.00 177.10 171.96 1jkk s GLU 173 N -0.69 2.21 -0.49 3.55 0.41 0.34 -4.86 118.70 119.15 1jkk s GLU 173 Ca -0.05 -0.90 0.03 0.00 -0.41 0.00 0.00 54.97 53.64 1jkk s GLU 173 Cb -0.02 -2.27 0.16 0.00 -1.78 0.00 0.00 34.13 30.22 1jkk s GLU 173 CO 0.05 0.56 0.34 0.12 -0.49 0.00 0.00 175.26 175.84 1jkk s PHE 174 N -0.92 2.01 -0.04 1.61 5.36 -1.26 0.57 117.98 125.30 1jkk s PHE 174 Ca 0.15 -2.58 0.20 0.00 -0.96 0.00 0.00 56.93 53.74 1jkk s PHE 174 Cb -0.11 -1.70 0.36 0.00 -0.34 0.00 0.00 43.02 41.23 1jkk s PHE 174 CO 0.05 -0.74 1.14 0.36 -1.46 0.00 0.00 175.22 174.58 1jkk n LYS 175 N 2.92 0.25 -2.42 10.12 2.85 -1.26 -5.03 118.16 125.60 1jkk n LYS 175 Ca 0.19 -1.96 -0.20 0.00 -1.05 0.00 0.00 58.31 55.29 1jkk n LYS 175 Cb 0.39 -0.08 -0.01 0.00 -0.65 0.00 0.00 35.03 34.69 1jkk n LYS 175 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1jkk n ASN 176 N 0.20 -5.79 -4.72 -5.58 3.02 -1.26 -4.94 115.26 96.19 1jkk n ASN 176 Ca -0.01 -0.01 -0.42 0.00 -0.03 0.00 0.00 54.58 54.11 1jkk n ASN 176 Cb 1.01 -4.83 -0.03 0.00 -0.61 0.00 0.00 39.78 35.33 1jkk n ASN 176 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jkk s ILE 177 N -3.02 2.64 -0.11 2.41 1.01 -1.26 -4.99 121.20 117.88 1jkk s ILE 177 Ca 0.01 0.46 -0.06 0.00 0.00 0.00 0.00 60.65 61.06 1jkk s ILE 177 Cb -0.00 -3.30 0.05 0.00 0.01 0.00 0.00 42.46 39.22 1jkk s ILE 177 CO 0.01 0.04 0.26 0.12 0.00 0.00 0.00 174.94 175.37 1jkk s PHE 178 N 1.11 -0.35 0.00 3.97 2.19 -1.26 -4.92 117.98 118.72 1jkk s PHE 178 Ca 0.70 0.82 0.00 0.00 0.33 0.00 0.00 56.93 58.77 1jkk s PHE 178 Cb -0.43 0.07 0.00 0.00 -1.31 0.00 0.00 43.02 41.35 1jkk s PHE 178 CO 0.32 -0.23 0.00 0.41 1.83 0.00 0.00 175.22 177.54 1jkk n GLY 179 N 4.11 3.99 3.63 13.12 0.00 -1.26 -5.08 105.19 123.71 1jkk n GLY 179 Ca -0.24 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 1jkk n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jkk s THR 180 N 4.32 4.59 0.23 2.61 2.01 -1.26 -4.96 115.64 123.17 1jkk s THR 180 Ca 0.00 1.65 0.01 0.00 0.31 0.00 0.00 61.69 63.66 1jkk s THR 180 Cb 0.00 -4.35 0.32 0.00 0.01 0.00 0.00 72.50 68.48 1jkk s THR 180 CO 0.00 -0.40 1.17 -2.65 -0.69 0.00 0.00 174.62 172.05 1jkk n PRO 181 N 6.67 -0.06 0.07 4.92 -0.02 -1.26 -1.00 135.00 144.32 1jkk n PRO 181 Ca 0.10 1.12 0.05 0.00 -2.02 0.00 0.00 63.50 62.75 1jkk n PRO 181 Cb 0.47 -1.77 0.47 0.00 -0.02 0.00 0.00 33.50 32.65 1jkk n PRO 181 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jkk h GLU 182 N 0.00 0.39 -0.01 -0.52 5.08 -1.93 -3.22 114.58 114.38 1jkk h GLU 182 Ca 0.45 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1jkk h GLU 182 Cb 0.91 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1jkk h GLU 182 CO -0.71 0.28 -0.41 1.19 -1.00 0.00 0.00 179.01 178.36 1jkk n PHE 183 N -4.48 0.00 -2.58 4.33 3.01 -0.17 -4.80 117.46 112.77 1jkk n PHE 183 Ca 0.01 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.09 1jkk n PHE 183 Cb 0.08 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.50 1jkk n PHE 183 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1jkk s VAL 184 N -1.92 3.75 0.72 -4.37 -7.23 -1.01 -4.19 120.40 106.16 1jkk s VAL 184 Ca 0.10 1.58 -0.11 0.00 -1.81 0.00 0.00 61.98 61.73 1jkk s VAL 184 Cb 0.11 -3.93 0.02 0.00 0.56 0.00 0.00 36.38 33.14 1jkk s VAL 184 CO 0.43 0.24 1.08 0.00 -0.31 0.00 0.00 175.10 176.54 1jkk s ALA 185 N -1.39 2.72 0.32 1.32 0.00 -1.26 -4.87 121.76 118.60 1jkk s ALA 185 Ca 0.49 -0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.30 1jkk s ALA 185 Cb -0.26 -3.07 0.78 0.00 0.00 0.00 0.00 23.12 20.56 1jkk s ALA 185 CO 0.33 -1.25 1.78 -1.35 0.00 0.00 0.00 175.76 175.28 1jkk h PRO 186 N -0.74 0.71 -0.04 0.00 0.11 -1.88 -1.31 132.00 128.86 1jkk h PRO 186 Ca -0.45 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1jkk h PRO 186 Cb 1.24 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1jkk h PRO 186 CO 0.61 0.47 -0.14 1.05 -0.21 0.00 0.00 178.00 179.78 1jkk h GLU 187 N 0.73 0.06 -0.04 1.05 9.09 -1.93 -0.21 114.58 123.33 1jkk h GLU 187 Ca 0.57 -0.01 -0.20 0.00 0.05 0.00 0.00 59.36 59.77 1jkk h GLU 187 Cb 0.93 -0.01 0.01 0.00 -1.65 0.00 0.00 28.75 28.04 1jkk h GLU 187 CO -0.36 0.21 -0.76 0.82 0.05 0.00 0.00 179.01 178.97 1jkk h ILE 188 N 0.06 1.34 -0.69 -1.06 2.04 -1.53 0.12 117.51 117.78 1jkk h ILE 188 Ca 0.01 -2.07 -0.03 0.00 1.00 0.00 0.00 64.86 63.77 1jkk h ILE 188 Cb 0.29 2.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.69 1jkk h ILE 188 CO 0.02 0.63 0.32 0.58 0.00 0.00 0.00 178.15 179.70 1jkk h VAL 189 N 0.21 1.22 -0.16 1.67 2.07 -1.03 -2.59 116.25 117.66 1jkk h VAL 189 Ca -0.08 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1jkk h VAL 189 Cb 1.43 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1jkk h VAL 189 CO 0.15 0.27 0.00 0.59 0.02 0.00 0.00 177.57 178.60 1jkk n ASN 190 N -4.33 1.93 -3.61 0.57 4.13 -0.14 -4.96 115.26 108.86 1jkk n ASN 190 Ca 0.06 -1.72 -0.23 0.00 1.68 0.00 0.00 54.58 54.37 1jkk n ASN 190 Cb 0.14 -0.10 0.07 0.00 -1.54 0.00 0.00 39.78 38.36 1jkk n ASN 190 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1jkk n TYR 191 N 0.50 -2.66 -3.30 3.10 4.01 -0.69 -5.01 117.16 113.10 1jkk n TYR 191 Ca 0.17 0.99 -0.19 0.00 -0.16 0.00 0.00 57.90 58.70 1jkk n TYR 191 Cb 0.38 -4.91 0.00 0.00 -0.31 0.00 0.00 39.34 34.50 1jkk n TYR 191 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1jkk s GLU 192 N -6.16 3.05 0.38 -0.72 2.02 0.32 -4.95 118.70 112.64 1jkk s GLU 192 Ca 0.47 -0.96 -0.26 0.00 0.02 0.00 0.00 54.97 54.24 1jkk s GLU 192 Cb -0.21 -2.76 -0.12 0.00 0.10 0.00 0.00 34.13 31.14 1jkk s GLU 192 CO 0.74 -0.06 1.03 -2.30 0.02 0.00 0.00 175.26 174.70 1jkk n PRO 193 N -1.76 1.43 -4.32 0.39 -0.02 -1.26 -4.72 135.00 124.75 1jkk n PRO 193 Ca 0.01 0.51 -0.29 0.00 -2.02 0.00 0.00 63.50 61.72 1jkk n PRO 193 Cb 0.58 -2.02 -0.11 0.00 -0.02 0.00 0.00 33.50 31.93 1jkk n PRO 193 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jkk s LEU 194 N -0.32 2.71 0.00 2.45 1.43 0.19 -4.88 118.68 120.27 1jkk s LEU 194 Ca 0.61 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1jkk s LEU 194 Cb -0.59 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1jkk s LEU 194 CO 0.58 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.93 1jkk n GLY 195 N 0.58 3.69 0.31 -3.19 0.00 -1.26 0.12 105.19 105.44 1jkk n GLY 195 Ca -0.14 -1.19 0.16 0.00 0.00 0.00 0.00 46.02 44.84 1jkk n GLY 195 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jkk h LEU 196 N 0.00 0.00 -1.65 0.99 3.38 -1.95 -2.85 115.31 113.23 1jkk h LEU 196 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1jkk h LEU 196 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1jkk h LEU 196 CO 0.00 0.00 0.40 -0.33 0.09 0.00 0.00 178.44 178.60 1jkk h GLU 197 N 0.00 0.38 -0.29 1.13 3.07 -1.95 -2.23 114.58 114.69 1jkk h GLU 197 Ca 0.02 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1jkk h GLU 197 Cb 0.10 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1jkk h GLU 197 CO -0.00 0.25 0.19 0.00 -1.40 0.00 0.00 179.01 178.05 1jkk h ALA 198 N 1.70 1.88 -0.45 3.43 0.00 -1.91 -1.81 119.26 122.10 1jkk h ALA 198 Ca 0.28 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1jkk h ALA 198 Cb 0.57 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1jkk h ALA 198 CO -0.07 0.09 -0.16 -0.44 0.00 0.00 0.00 179.25 178.66 1jkk h ASP 199 N 0.32 0.85 -0.19 0.00 3.32 -1.62 -2.95 116.42 116.15 1jkk h ASP 199 Ca 0.11 -0.29 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 1jkk h ASP 199 Cb 0.07 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1jkk h ASP 199 CO -0.02 1.01 -0.01 0.24 -1.72 0.00 0.00 179.24 178.74 1jkk h MET 200 N 0.75 0.47 -0.23 3.56 2.86 -1.42 -1.54 114.93 119.37 1jkk h MET 200 Ca 0.11 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1jkk h MET 200 Cb 0.68 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1jkk h MET 200 CO 0.05 0.50 -0.02 2.35 1.06 0.00 0.00 176.91 180.86 1jkk h TRP 201 N 0.45 0.47 -0.95 -0.22 2.91 -1.43 -2.74 115.95 114.45 1jkk h TRP 201 Ca 0.10 -0.09 0.06 0.00 1.13 0.00 0.00 58.89 60.09 1jkk h TRP 201 Cb 0.31 -0.12 -0.06 0.00 -0.51 0.00 0.00 29.16 28.78 1jkk h TRP 201 CO 0.01 0.61 0.61 0.77 -1.03 0.00 0.00 178.44 179.42 1jkk h SER 202 N 0.18 0.97 -0.91 2.65 0.02 -1.24 -0.00 113.55 115.23 1jkk h SER 202 Ca 0.06 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1jkk h SER 202 Cb 0.44 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.73 1jkk h SER 202 CO 0.02 0.63 0.60 0.40 -1.14 0.00 0.00 176.83 177.33 1jkk h ILE 203 N 1.10 1.23 -0.24 3.27 2.04 -1.16 0.31 117.51 124.06 1jkk h ILE 203 Ca 0.40 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1jkk h ILE 203 Cb 0.16 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 1jkk h ILE 203 CO -0.15 0.22 0.14 1.23 0.00 0.00 0.00 178.15 179.60 1jkk h GLY 204 N 1.23 0.36 0.98 5.37 0.00 -0.71 0.27 103.07 110.57 1jkk h GLY 204 Ca 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1jkk h GLY 204 CO -0.07 0.15 0.11 -2.08 0.00 0.00 0.00 176.54 174.65 1jkk h VAL 205 N 0.30 1.07 -0.65 4.60 2.07 -0.91 0.50 116.25 123.22 1jkk h VAL 205 Ca 0.09 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1jkk h VAL 205 Cb 0.03 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1jkk h VAL 205 CO -0.02 0.06 0.36 0.40 0.02 0.00 0.00 177.57 178.40 1jkk h ILE 206 N 0.22 0.96 -0.18 4.57 2.04 -0.58 0.15 117.51 124.70 1jkk h ILE 206 Ca 0.06 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1jkk h ILE 206 Cb 0.01 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 1jkk h ILE 206 CO -0.01 0.12 0.11 0.74 0.00 0.00 0.00 178.15 179.11 1jkk h THR 207 N 0.67 1.07 -0.57 -0.27 2.02 -0.05 0.16 112.91 115.94 1jkk h THR 207 Ca 0.29 -0.17 0.08 0.00 0.77 0.00 0.00 66.41 67.38 1jkk h THR 207 Cb 0.19 0.87 -0.06 0.00 -1.74 0.00 0.00 68.15 67.40 1jkk h THR 207 CO -0.18 0.07 0.22 0.22 0.37 0.00 0.00 175.52 176.22 1jkk h TYR 208 N 0.21 0.39 -0.18 3.16 5.03 -0.27 -2.18 116.97 123.13 1jkk h TYR 208 Ca 0.06 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.39 1jkk h TYR 208 Cb 0.02 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.20 1jkk h TYR 208 CO -0.05 0.12 0.09 0.82 -1.32 0.00 0.00 178.16 177.82 1jkk h ILE 209 N 0.41 1.13 -0.95 1.81 2.04 -0.35 -2.53 117.51 119.07 1jkk h ILE 209 Ca 0.28 -0.36 0.14 0.00 1.00 0.00 0.00 64.86 65.91 1jkk h ILE 209 Cb 0.30 1.04 -0.09 0.00 -0.74 0.00 0.00 36.82 37.33 1jkk h ILE 209 CO -0.27 0.12 0.57 -0.07 0.00 0.00 0.00 178.15 178.50 1jkk h LEU 210 N 0.17 0.79 0.00 1.44 3.38 -0.15 0.43 115.31 121.37 1jkk h LEU 210 Ca 0.06 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 1jkk h LEU 210 Cb 0.11 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1jkk h LEU 210 CO -0.01 0.38 -0.78 -0.07 0.09 0.00 0.00 178.44 178.06 1jkk h LEU 211 N 0.85 0.00 0.00 1.67 3.38 -1.33 -3.07 115.31 116.81 1jkk h LEU 211 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1jkk h LEU 211 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1jkk h LEU 211 CO -0.31 0.45 -0.65 -1.54 0.09 0.00 0.00 178.44 176.48 1jkk n SER 212 N -3.07 3.26 -0.08 -0.43 3.41 -0.96 -4.64 113.62 111.11 1jkk n SER 212 Ca -0.01 -0.13 -0.01 0.00 -0.26 0.00 0.00 58.87 58.46 1jkk n SER 212 Cb 0.74 0.90 -0.00 0.00 -0.26 0.00 0.00 64.21 65.58 1jkk n SER 212 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jkk n GLY 213 N 1.88 0.47 3.29 5.00 0.00 0.15 -4.89 105.19 111.09 1jkk n GLY 213 Ca 0.00 -0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1jkk n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkk s ALA 214 N -1.87 1.88 -0.11 4.61 0.00 -1.26 -5.05 121.76 119.96 1jkk s ALA 214 Ca 0.00 -1.25 -0.19 0.00 0.00 0.00 0.00 51.96 50.52 1jkk s ALA 214 Cb 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1jkk s ALA 214 CO 0.00 0.39 0.53 0.45 0.00 0.00 0.00 175.76 177.13 1jkk s SER 215 N -1.80 6.74 0.24 0.00 0.15 -1.26 -3.87 113.70 113.90 1jkk s SER 215 Ca 0.08 0.88 -0.05 0.00 0.70 0.00 0.00 55.95 57.56 1jkk s SER 215 Cb -0.10 -2.31 0.25 0.00 -1.71 0.00 0.00 66.02 62.15 1jkk s SER 215 CO 0.04 -0.04 1.77 1.55 1.20 0.00 0.00 173.24 177.76 1jkk h PRO 216 N 6.78 1.00 -0.01 5.44 0.13 -1.93 -3.33 132.00 140.08 1jkk h PRO 216 Ca -0.40 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1jkk h PRO 216 Cb 1.18 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1jkk h PRO 216 CO 0.76 0.89 -0.19 1.19 -0.23 0.00 0.00 178.00 180.41 1jkk n PHE 217 N -4.25 0.00 -1.69 1.56 3.72 -1.26 -4.52 117.46 111.02 1jkk n PHE 217 Ca 0.05 0.00 -0.54 0.00 -0.05 0.00 0.00 57.45 56.90 1jkk n PHE 217 Cb 0.25 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.72 1jkk n PHE 217 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1jkk n LEU 218 N -0.34 2.51 -4.75 4.37 7.94 -1.25 -4.45 117.00 121.02 1jkk n LEU 218 Ca 0.03 1.06 -0.27 0.00 -1.11 0.00 0.00 56.01 55.72 1jkk n LEU 218 Cb 0.18 -1.20 -0.07 0.00 0.53 0.00 0.00 43.42 42.85 1jkk n LEU 218 CO 0.11 -0.44 -0.16 -0.83 -1.11 0.00 0.00 177.39 174.95 1jkk s GLY 219 N 3.08 2.52 0.59 -3.96 0.00 -1.26 -4.94 107.32 103.35 1jkk s GLY 219 Ca 0.94 -1.62 0.37 0.00 0.00 0.00 0.00 44.72 44.41 1jkk s GLY 219 CO 0.59 -2.01 2.16 -0.55 0.00 0.00 0.00 173.10 173.29 1jkk h ASP 220 N 1.35 0.00 -4.29 1.64 3.32 -1.95 -3.44 116.42 113.05 1jkk h ASP 220 Ca -0.42 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.25 1jkk h ASP 220 Cb 1.27 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.68 1jkk h ASP 220 CO 0.70 0.02 -0.60 0.42 -1.72 0.00 0.00 179.24 178.06 1jkk s THR 221 N -3.95 0.62 0.11 0.35 -4.23 -1.26 -5.06 115.64 102.23 1jkk s THR 221 Ca -0.02 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.33 1jkk s THR 221 Cb 0.11 -2.64 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 1jkk s THR 221 CO 0.50 0.00 1.56 0.11 -0.54 0.00 0.00 174.62 176.24 1jkk h LYS 222 N 2.30 0.64 -0.92 3.99 1.57 -2.00 -2.42 116.57 119.73 1jkk h LYS 222 Ca -0.38 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.21 1jkk h LYS 222 Cb 1.25 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.45 1jkk h LYS 222 CO 0.61 0.75 0.61 -0.56 -0.57 0.00 0.00 179.45 180.29 1jkk h GLN 223 N 0.46 1.20 -0.17 3.15 -0.00 -1.97 -0.97 115.11 116.81 1jkk h GLN 223 Ca 0.10 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.65 58.67 1jkk h GLN 223 Cb 0.46 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.48 27.66 1jkk h GLN 223 CO 0.02 0.80 0.08 0.93 -0.00 0.00 0.00 178.83 180.65 1jkk h GLU 224 N 1.24 0.25 -0.39 0.06 5.08 -1.93 -0.01 114.58 118.88 1jkk h GLU 224 Ca 0.34 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.70 1jkk h GLU 224 Cb -0.14 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 1jkk h GLU 224 CO -0.07 0.30 0.13 1.15 -1.00 0.00 0.00 179.01 179.52 1jkk h THR 225 N 0.14 0.88 -0.57 1.13 2.02 -1.02 0.25 112.91 115.74 1jkk h THR 225 Ca 0.06 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 1jkk h THR 225 Cb 0.14 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1jkk h THR 225 CO -0.01 0.05 0.19 -0.07 0.37 0.00 0.00 175.52 176.06 1jkk h LEU 226 N 0.29 0.77 -0.33 2.58 3.38 -1.07 -0.46 115.31 120.47 1jkk h LEU 226 Ca 0.18 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1jkk h LEU 226 Cb 0.16 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1jkk h LEU 226 CO -0.18 0.72 0.05 0.00 0.09 0.00 0.00 178.44 179.11 1jkk h ALA 227 N 1.39 0.44 -0.89 1.53 0.00 0.09 -1.33 119.26 120.50 1jkk h ALA 227 Ca 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1jkk h ALA 227 Cb 0.21 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1jkk h ALA 227 CO -0.01 0.15 0.50 -0.91 0.00 0.00 0.00 179.25 178.98 1jkk h ASN 228 N 0.39 1.10 0.13 0.00 -0.26 -0.00 -2.27 115.58 114.66 1jkk h ASN 228 Ca 0.10 -0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 1jkk h ASN 228 Cb 0.36 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1jkk h ASN 228 CO 0.01 0.87 -0.06 0.58 -1.06 0.00 0.00 177.43 177.77 1jkk h VAL 229 N 1.24 0.92 -0.82 2.81 2.07 -0.85 0.69 116.25 122.31 1jkk h VAL 229 Ca 0.32 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.67 1jkk h VAL 229 Cb 0.01 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1jkk h VAL 229 CO -0.05 0.05 0.54 -1.28 0.02 0.00 0.00 177.57 176.84 1jkk h SER 230 N -0.27 0.87 0.08 0.57 0.87 -1.09 -0.46 113.55 114.12 1jkk h SER 230 Ca -0.02 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1jkk h SER 230 Cb 0.22 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1jkk h SER 230 CO 0.03 0.60 -0.05 0.00 -0.53 0.00 0.00 176.83 176.88 1jkk n ALA 231 N -2.41 2.69 -3.63 6.23 0.00 -0.87 -4.91 120.51 117.61 1jkk n ALA 231 Ca 0.11 -0.36 -0.21 0.00 0.00 0.00 0.00 53.44 52.97 1jkk n ALA 231 Cb 0.11 -1.26 0.05 0.00 0.00 0.00 0.00 19.45 18.35 1jkk n ALA 231 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jkk n VAL 232 N -0.35 -4.52 -2.90 0.00 0.31 -0.17 -4.89 118.33 105.81 1jkk n VAL 232 Ca 0.18 -0.39 -0.44 0.00 -0.01 0.00 0.00 64.34 63.69 1jkk n VAL 232 Cb 0.29 -4.08 -0.03 0.00 -0.91 0.00 0.00 33.84 29.12 1jkk n VAL 232 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1jkk s ASN 233 N -4.14 6.59 0.09 4.52 2.47 0.22 -4.96 114.94 119.75 1jkk s ASN 233 Ca 0.14 -1.95 -0.25 0.00 0.42 0.00 0.00 52.86 51.22 1jkk s ASN 233 Cb -0.07 -2.41 0.07 0.00 -1.45 0.00 0.00 41.25 37.39 1jkk s ASN 233 CO 0.78 -1.11 0.61 -0.72 -3.72 0.00 0.00 177.10 172.94 1jkk s TYR 234 N 2.89 -0.55 0.12 0.43 1.13 -1.26 -4.60 117.35 115.50 1jkk s TYR 234 Ca 0.33 0.54 -0.10 0.00 -1.41 0.00 0.00 57.07 56.43 1jkk s TYR 234 Cb -0.05 0.49 0.00 0.00 -1.10 0.00 0.00 41.96 41.31 1jkk s TYR 234 CO -0.08 -0.77 0.27 -1.83 -2.51 0.00 0.00 175.55 170.63 1jkk s GLU 235 N -2.96 1.01 -0.87 -3.49 -1.05 -1.26 -5.10 118.70 104.98 1jkk s GLU 235 Ca -0.03 -0.98 -0.18 0.00 -0.15 0.00 0.00 54.97 53.63 1jkk s GLU 235 Cb -0.01 0.38 0.14 0.00 -0.44 0.00 0.00 34.13 34.20 1jkk s GLU 235 CO -0.06 -0.36 1.03 -0.06 0.95 0.00 0.00 175.26 176.76 1jkk s PHE 236 N -3.89 3.16 0.11 4.83 0.08 -1.26 -5.02 117.98 115.99 1jkk s PHE 236 Ca 0.09 -1.37 -0.32 0.00 0.12 0.00 0.00 56.93 55.45 1jkk s PHE 236 Cb 0.04 -4.20 -0.11 0.00 -0.57 0.00 0.00 43.02 38.17 1jkk s PHE 236 CO -0.07 -1.42 1.82 0.39 -0.10 0.00 0.00 175.22 175.84 1jkk n GLU 237 N 6.28 2.68 -0.25 0.44 -0.58 -1.26 -4.79 120.64 123.17 1jkk n GLU 237 Ca 0.18 0.97 0.13 0.00 -0.42 0.00 0.00 57.16 58.02 1jkk n GLU 237 Cb 0.48 -2.85 0.41 0.00 -0.57 0.00 0.00 31.44 28.91 1jkk n GLU 237 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1jkk h ASP 238 N 8.38 0.59 0.12 1.62 3.32 -1.95 0.34 116.42 128.85 1jkk h ASP 238 Ca -0.46 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1jkk h ASP 238 Cb 1.23 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 1jkk h ASP 238 CO 0.94 0.29 -0.05 -0.08 -1.72 0.00 0.00 179.24 178.63 1jkk h GLU 239 N 0.62 0.00 0.00 3.56 4.81 -2.00 0.15 114.58 121.72 1jkk h GLU 239 Ca 0.44 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.34 1jkk h GLU 239 Cb 0.78 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.10 1jkk h GLU 239 CO -0.19 0.05 -2.24 0.66 -0.73 0.00 0.00 179.01 176.55 1jkk n TYR 240 N -3.85 0.00 0.08 0.92 0.53 0.11 -4.68 117.16 110.28 1jkk n TYR 240 Ca -0.03 0.00 0.05 0.00 -1.02 0.00 0.00 57.90 56.90 1jkk n TYR 240 Cb 0.14 -0.87 0.10 0.00 -1.03 0.00 0.00 39.34 37.68 1jkk n TYR 240 CO 0.00 0.00 0.00 1.19 -1.02 0.00 0.00 176.86 177.03 1jkk n PHE 241 N -2.85 0.25 -0.27 -0.72 3.01 0.98 -4.68 117.46 113.17 1jkk n PHE 241 Ca -0.33 -0.29 0.23 0.00 1.01 0.00 0.00 57.45 58.07 1jkk n PHE 241 Cb 1.02 -0.02 0.56 0.00 -0.01 0.00 0.00 39.48 41.04 1jkk n PHE 241 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1jkk h SER 242 N 1.91 0.33 -0.43 4.37 4.64 -0.88 0.21 113.55 123.69 1jkk h SER 242 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1jkk h SER 242 Cb 0.59 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1jkk h SER 242 CO 0.00 0.10 0.00 0.59 -0.87 0.00 0.00 176.83 176.65 1jkk n ASN 243 N -4.49 4.49 -4.83 4.97 5.03 -1.26 -4.96 115.26 114.22 1jkk n ASN 243 Ca 0.22 -2.78 -0.38 0.00 0.87 0.00 0.00 54.58 52.51 1jkk n ASN 243 Cb 0.86 -0.56 -0.06 0.00 -1.02 0.00 0.00 39.78 39.00 1jkk n ASN 243 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1jkk s THR 244 N -2.44 5.13 0.57 3.41 2.01 0.74 -5.05 115.64 120.00 1jkk s THR 244 Ca 0.46 0.73 -0.20 0.00 0.31 0.00 0.00 61.69 62.99 1jkk s THR 244 Cb 0.34 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1jkk s THR 244 CO 0.15 0.56 1.26 -0.94 -0.69 0.00 0.00 174.62 174.95 1jkk s SER 245 N -0.85 5.28 0.55 3.53 1.04 -1.26 -4.89 113.70 117.09 1jkk s SER 245 Ca 0.22 2.52 0.33 0.00 0.48 0.00 0.00 55.95 59.49 1jkk s SER 245 Cb -0.16 -2.61 1.58 0.00 0.10 0.00 0.00 66.02 64.94 1jkk s SER 245 CO 0.11 -1.54 2.09 0.00 0.98 0.00 0.00 173.24 174.88 1jkk h ALA 246 N 1.18 1.12 -0.13 5.32 0.00 -1.96 -2.48 119.26 122.30 1jkk h ALA 246 Ca -0.50 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.15 1jkk h ALA 246 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1jkk h ALA 246 CO 0.56 0.09 -0.71 -0.07 0.00 0.00 0.00 179.25 179.12 1jkk h LEU 247 N 0.00 0.70 -0.60 0.00 3.38 -1.99 -1.91 115.31 114.89 1jkk h LEU 247 Ca -0.00 -0.44 -0.09 0.00 0.09 0.00 0.00 57.88 57.43 1jkk h LEU 247 Cb 0.35 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1jkk h LEU 247 CO 0.01 1.21 0.02 0.00 0.09 0.00 0.00 178.44 179.76 1jkk h ALA 248 N 0.79 0.80 -0.64 1.53 0.00 -1.82 -2.08 119.26 117.84 1jkk h ALA 248 Ca -0.03 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1jkk h ALA 248 Cb 1.30 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1jkk h ALA 248 CO 0.14 0.63 0.14 0.87 0.00 0.00 0.00 179.25 181.02 1jkk h LYS 249 N 0.94 1.04 -0.37 0.00 1.57 -1.47 -2.21 116.57 116.07 1jkk h LYS 249 Ca 0.17 -0.26 0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1jkk h LYS 249 Cb 0.54 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 1jkk h LYS 249 CO 0.03 0.94 0.07 0.22 -0.57 0.00 0.00 179.45 180.15 1jkk h ASP 250 N 0.96 0.01 -0.39 0.86 1.82 -1.09 0.27 116.42 118.86 1jkk h ASP 250 Ca 0.20 0.06 0.06 0.00 -0.39 0.00 0.00 57.03 56.96 1jkk h ASP 250 Cb 0.39 0.08 -0.05 0.00 0.68 0.00 0.00 39.33 40.42 1jkk h ASP 250 CO 0.01 0.04 0.06 0.15 -1.61 0.00 0.00 179.24 177.89 1jkk h PHE 251 N 0.20 0.09 -0.36 0.28 3.04 -1.09 -1.06 116.94 118.05 1jkk h PHE 251 Ca 0.17 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.12 1jkk h PHE 251 Cb 0.20 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.71 1jkk h PHE 251 CO -0.19 -0.01 0.11 0.82 -2.02 0.00 0.00 178.31 177.02 1jkk h ILE 252 N 0.18 1.21 -0.10 1.41 2.04 -0.74 -2.97 117.51 118.54 1jkk h ILE 252 Ca 0.19 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.37 1jkk h ILE 252 Cb 0.23 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1jkk h ILE 252 CO -0.26 0.24 0.07 -0.09 0.00 0.00 0.00 178.15 178.11 1jkk h ARG 253 N 0.43 0.06 -0.00 2.37 2.43 0.09 -1.28 114.38 118.47 1jkk h ARG 253 Ca 0.11 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1jkk h ARG 253 Cb 0.26 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1jkk h ARG 253 CO -0.00 0.04 -0.06 0.54 -1.51 0.00 0.00 179.97 178.98 1jkk n ARG 254 N -4.52 0.86 -0.08 0.20 1.74 -0.45 -3.72 116.66 110.68 1jkk n ARG 254 Ca -0.01 -0.25 -0.10 0.00 -0.77 0.00 0.00 57.85 56.72 1jkk n ARG 254 Cb 0.14 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 29.99 1jkk n ARG 254 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1jkk n LEU 255 N -0.85 1.81 -3.30 0.55 4.77 -0.57 -1.59 117.00 117.82 1jkk n LEU 255 Ca 0.17 -0.06 -0.38 0.00 -0.03 0.00 0.00 56.01 55.71 1jkk n LEU 255 Cb 0.25 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1jkk n LEU 255 CO 0.21 0.62 2.83 0.18 -1.33 0.00 0.00 177.39 179.91 1jkk n LEU 256 N -2.82 8.24 -4.36 2.23 4.77 -0.71 -4.29 117.00 120.05 1jkk n LEU 256 Ca -0.28 -4.54 -0.34 0.00 -0.03 0.00 0.00 56.01 50.81 1jkk n LEU 256 Cb 0.88 -1.45 -0.14 0.00 -2.33 0.00 0.00 43.42 40.38 1jkk n LEU 256 CO 0.22 2.05 -0.39 -0.69 -1.33 0.00 0.00 177.39 177.25 1jkk s VAL 257 N 0.48 3.40 0.14 4.08 1.01 -1.26 -4.98 120.40 123.27 1jkk s VAL 257 Ca 0.62 -0.51 -0.23 0.00 0.00 0.00 0.00 61.98 61.87 1jkk s VAL 257 Cb 0.20 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.07 1jkk s VAL 257 CO -0.08 0.46 1.65 0.50 0.00 0.00 0.00 175.10 177.63 1jkk h LYS 258 N 7.49 -0.23 -6.27 2.72 3.64 -1.95 -3.39 116.57 118.58 1jkk h LYS 258 Ca -0.36 0.02 -0.56 0.00 -1.27 0.00 0.00 60.65 58.48 1jkk h LYS 258 Cb 1.18 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 1jkk h LYS 258 CO 0.60 -0.15 1.13 0.34 -2.27 0.00 0.00 179.45 179.10 1jkk s ASP 259 N -5.03 6.39 0.33 4.20 -1.08 -1.26 -4.74 116.67 115.47 1jkk s ASP 259 Ca -0.15 1.70 0.05 0.00 -0.52 0.00 0.00 52.55 53.63 1jkk s ASP 259 Cb 0.11 -2.53 0.69 0.00 -1.46 0.00 0.00 42.92 39.73 1jkk s ASP 259 CO 0.68 -1.24 1.87 -0.65 0.52 0.00 0.00 175.17 176.35 1jkk h PRO 260 N 10.71 0.81 0.00 4.34 0.11 -1.97 -1.64 132.00 144.36 1jkk h PRO 260 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1jkk h PRO 260 Cb 1.16 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1jkk h PRO 260 CO 0.99 0.54 0.00 1.63 -0.21 0.00 0.00 178.00 180.95 1jkk n LYS 261 N -4.56 0.06 -0.00 1.05 5.02 -1.26 -2.56 118.16 115.91 1jkk n LYS 261 Ca 0.17 0.26 0.09 0.00 -2.02 0.00 0.00 58.31 56.81 1jkk n LYS 261 Cb 0.38 -1.61 -0.12 0.00 -0.02 0.00 0.00 35.03 33.65 1jkk n LYS 261 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1jkk n LYS 262 N -1.73 0.86 -1.83 1.97 5.02 -0.64 -4.99 118.16 116.83 1jkk n LYS 262 Ca 0.04 -0.09 -0.35 0.00 -2.02 0.00 0.00 58.31 55.88 1jkk n LYS 262 Cb 0.22 -1.38 0.05 0.00 -0.02 0.00 0.00 35.03 33.90 1jkk n LYS 262 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1jkk s ARG 263 N -2.98 2.72 0.47 1.97 3.52 -1.05 -4.97 118.95 118.63 1jkk s ARG 263 Ca -0.01 1.79 -0.23 0.00 -0.13 0.00 0.00 55.73 57.15 1jkk s ARG 263 Cb 0.12 -1.90 -0.07 0.00 -1.56 0.00 0.00 34.95 31.54 1jkk s ARG 263 CO 0.73 -1.39 1.19 -1.64 -0.81 0.00 0.00 175.30 173.38 1jkk s MET 264 N -3.55 3.69 0.49 5.12 -1.94 -0.62 -5.03 119.30 117.46 1jkk s MET 264 Ca 0.76 1.84 0.00 0.00 -1.71 0.00 0.00 55.69 56.58 1jkk s MET 264 Cb -0.30 -2.40 0.01 0.00 2.01 0.00 0.00 34.83 34.16 1jkk s MET 264 CO 0.37 -0.63 0.72 0.95 -0.01 0.00 0.00 175.02 176.42 1jkk s THR 265 N -1.51 3.54 0.33 2.05 -4.23 -1.26 -4.87 115.64 109.68 1jkk s THR 265 Ca 0.64 -0.52 0.04 0.00 -1.18 0.00 0.00 61.69 60.67 1jkk s THR 265 Cb -0.30 -3.32 0.29 0.00 1.34 0.00 0.00 72.50 70.51 1jkk s THR 265 CO 0.37 -0.23 1.91 -0.29 -0.54 0.00 0.00 174.62 175.83 1jkk h ILE 266 N 0.25 1.00 -0.38 2.99 6.09 -1.95 -0.30 117.51 125.21 1jkk h ILE 266 Ca -0.45 -0.31 -0.05 0.00 -1.37 0.00 0.00 64.86 62.68 1jkk h ILE 266 Cb 1.27 0.03 -0.01 0.00 0.47 0.00 0.00 36.82 38.57 1jkk h ILE 266 CO 0.56 0.16 0.03 1.56 -3.07 0.00 0.00 178.15 177.39 1jkk h GLN 267 N 0.89 0.65 -0.09 2.19 4.20 -1.98 -2.28 115.11 118.69 1jkk h GLN 267 Ca 0.39 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.93 1jkk h GLN 267 Cb 0.33 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1jkk h GLN 267 CO -0.15 0.73 -0.04 -0.44 -0.67 0.00 0.00 178.83 178.26 1jkk h ASP 268 N 0.48 -0.13 -0.49 1.46 3.32 -1.64 -1.95 116.42 117.47 1jkk h ASP 268 Ca 0.11 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.25 1jkk h ASP 268 Cb 0.42 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1jkk h ASP 268 CO 0.01 -0.05 0.33 0.77 -1.72 0.00 0.00 179.24 178.57 1jkk h SER 269 N -0.03 0.38 1.00 6.45 4.64 -0.96 0.12 113.55 125.15 1jkk h SER 269 Ca 0.05 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.29 1jkk h SER 269 Cb 0.10 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1jkk h SER 269 CO -0.11 0.25 -0.39 -0.07 -0.87 0.00 0.00 176.83 175.64 1jkk h LEU 270 N 0.43 0.00 -1.01 5.97 3.38 -0.91 -3.09 115.31 120.09 1jkk h LEU 270 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1jkk h LEU 270 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1jkk h LEU 270 CO -0.05 0.39 -0.29 0.00 0.09 0.00 0.00 178.44 178.58 1jkk n GLN 271 N -3.44 1.34 -1.82 1.13 1.13 0.15 -3.53 117.38 112.33 1jkk n GLN 271 Ca 0.00 -1.01 -0.41 0.00 -1.94 0.00 0.00 57.00 53.64 1jkk n GLN 271 Cb 0.55 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 29.42 1jkk n GLN 271 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1jkk s HIS 272 N -2.36 2.65 0.54 1.08 2.46 0.18 -4.64 115.29 115.20 1jkk s HIS 272 Ca 0.24 1.13 0.30 0.00 0.47 0.00 0.00 55.06 57.19 1jkk s HIS 272 Cb 0.19 -4.00 1.46 0.00 -0.13 0.00 0.00 32.58 30.10 1jkk s HIS 272 CO 0.49 -3.00 1.92 -1.35 -2.47 0.00 0.00 174.74 170.33 1jkk h PRO 273 N 3.33 0.00 -0.08 2.88 0.11 -1.91 0.21 132.00 136.54 1jkk h PRO 273 Ca -0.50 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.44 1jkk h PRO 273 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1jkk h PRO 273 CO 0.67 0.00 -0.67 2.35 -0.21 0.00 0.00 178.00 180.14 1jkk h TRP 274 N 0.00 0.44 0.00 0.65 7.01 -1.89 -3.37 115.95 118.79 1jkk h TRP 274 Ca 0.37 -0.18 -0.28 0.00 2.11 0.00 0.00 58.89 60.90 1jkk h TRP 274 Cb 1.50 -0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 28.44 1jkk h TRP 274 CO 0.00 0.90 -1.58 -0.89 -2.79 0.00 0.00 178.44 174.08 1jkk n ILE 275 N -3.85 1.53 -1.67 2.65 2.08 -0.47 -4.95 119.36 114.68 1jkk n ILE 275 Ca -0.03 -0.11 -0.57 0.00 0.56 0.00 0.00 62.75 62.59 1jkk n ILE 275 Cb 0.67 -2.02 -0.07 0.00 -0.75 0.00 0.00 39.64 37.46 1jkk n ILE 275 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1jkk n LYS 276 N -4.39 0.96 0.00 0.38 3.00 0.62 -5.02 118.16 113.71 1jkk n LYS 276 Ca -0.37 0.35 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1jkk n LYS 276 Cb 0.72 -1.99 0.00 0.00 0.00 0.00 0.00 35.03 33.75 1jkk n LYS 276 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1jkk n PRO 277 N 4.30 0.82 0.00 1.64 -0.04 -1.26 -4.87 135.00 135.58 1jkk n PRO 277 Ca 0.25 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.86 1jkk n PRO 277 Cb 0.12 -1.28 0.86 0.00 -0.04 0.00 0.00 33.50 33.17 1jkk n PRO 277 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65