#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jc1 s SER 2 N 0.00 -0.46 0.20 7.83 1.04 -1.26 -4.98 113.70 116.07 1jc1 s SER 2 Ca 0.00 0.44 -0.10 0.00 0.48 0.00 0.00 55.95 56.77 1jc1 s SER 2 Cb 0.00 0.44 0.21 0.00 0.10 0.00 0.00 66.02 66.78 1jc1 s SER 2 CO 0.00 -0.54 1.81 0.50 0.98 0.00 0.00 173.24 175.98 1jc1 h LYS 3 N 3.36 0.63 -1.08 4.02 1.63 -1.93 -2.44 116.57 120.76 1jc1 h LYS 3 Ca -0.28 -0.04 0.29 0.00 -0.85 0.00 0.00 60.65 59.77 1jc1 h LYS 3 Cb 1.16 -0.14 -0.09 0.00 -0.60 0.00 0.00 32.23 32.55 1jc1 h LYS 3 CO 0.39 0.42 0.71 0.78 -3.45 0.00 0.00 179.45 178.30 1jc1 h GLY 4 N 0.65 1.11 0.74 5.01 0.00 -1.74 0.47 103.07 109.31 1jc1 h GLY 4 Ca 0.28 -0.17 0.06 0.00 0.00 0.00 0.00 47.33 47.49 1jc1 h GLY 4 CO -0.17 -0.16 0.55 -2.09 0.00 0.00 0.00 176.54 174.67 1jc1 h GLU 5 N 0.32 0.98 0.00 4.80 4.81 -1.56 -0.47 114.58 123.46 1jc1 h GLU 5 Ca 0.62 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 1jc1 h GLU 5 Cb 1.70 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.86 1jc1 h GLU 5 CO -0.29 0.65 0.00 0.39 -0.73 0.00 0.00 179.01 179.03 1jc1 n GLU 6 N -4.60 0.12 0.07 1.92 -0.58 0.16 -1.46 120.64 116.28 1jc1 n GLU 6 Ca 0.13 0.57 0.13 0.00 -0.42 0.00 0.00 57.16 57.57 1jc1 n GLU 6 Cb 0.17 -1.86 0.44 0.00 -0.57 0.00 0.00 31.44 29.63 1jc1 n GLU 6 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1jc1 n LEU 7 N -2.11 0.56 -0.30 -4.62 4.32 -0.18 -3.93 117.00 110.74 1jc1 n LEU 7 Ca -0.01 0.51 0.07 0.00 -0.02 0.00 0.00 56.01 56.57 1jc1 n LEU 7 Cb 0.06 -0.36 0.14 0.00 -1.62 0.00 0.00 43.42 41.64 1jc1 n LEU 7 CO 0.10 -0.11 0.59 0.49 -1.22 0.00 0.00 177.39 177.24 1jc1 n PHE 8 N -2.01 0.26 0.24 -1.77 3.72 -0.53 -4.68 117.46 112.70 1jc1 n PHE 8 Ca 0.06 -0.82 0.13 0.00 -0.05 0.00 0.00 57.45 56.77 1jc1 n PHE 8 Cb 0.40 -0.16 0.53 0.00 -0.94 0.00 0.00 39.48 39.32 1jc1 n PHE 8 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1jc1 h THR 9 N 0.62 0.33 -3.87 4.37 2.02 -1.68 -3.38 112.91 111.33 1jc1 h THR 9 Ca 0.00 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1jc1 h THR 9 Cb 0.97 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1jc1 h THR 9 CO 0.05 0.13 0.00 0.61 0.37 0.00 0.00 175.52 176.68 1jc1 n GLY 10 N 0.14 3.28 3.71 2.16 0.00 -1.26 -4.79 105.19 108.42 1jc1 n GLY 10 Ca 0.00 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 1jc1 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jc1 s VAL 11 N 0.22 4.94 -0.09 1.61 1.01 -1.26 -4.42 120.40 122.42 1jc1 s VAL 11 Ca 0.00 1.74 0.01 0.00 0.00 0.00 0.00 61.98 63.74 1jc1 s VAL 11 Cb 0.00 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1jc1 s VAL 11 CO 0.00 0.17 -0.12 -0.69 0.00 0.00 0.00 175.10 174.46 1jc1 s VAL 12 N 1.15 3.21 0.27 2.92 1.01 0.15 -4.91 120.40 124.20 1jc1 s VAL 12 Ca 0.44 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 1jc1 s VAL 12 Cb -0.19 -2.31 -0.09 0.00 0.00 0.00 0.00 36.38 33.79 1jc1 s VAL 12 CO 0.21 0.56 1.04 -2.16 0.00 0.00 0.00 175.10 174.76 1jc1 s PRO 13 N -0.32 4.69 0.02 2.72 0.04 -1.26 -0.30 135.00 140.58 1jc1 s PRO 13 Ca 0.03 1.69 0.07 0.00 0.04 0.00 0.00 61.00 62.83 1jc1 s PRO 13 Cb -0.13 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 1jc1 s PRO 13 CO 0.02 0.30 -0.22 0.42 0.04 0.00 0.00 177.00 177.56 1jc1 s ILE 14 N -1.20 2.47 -0.17 0.56 1.01 0.12 -1.62 121.20 122.37 1jc1 s ILE 14 Ca 0.44 -1.17 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1jc1 s ILE 14 Cb -0.29 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.22 1jc1 s ILE 14 CO 0.37 0.43 -0.18 -0.22 0.00 0.00 0.00 174.94 175.34 1jc1 s LEU 15 N -1.10 2.24 -0.08 2.97 0.20 -0.68 -1.46 118.68 120.78 1jc1 s LEU 15 Ca 0.12 -0.59 0.02 0.00 0.69 0.00 0.00 54.13 54.37 1jc1 s LEU 15 Cb -0.10 -1.51 0.01 0.00 -0.43 0.00 0.00 46.19 44.16 1jc1 s LEU 15 CO 0.02 0.03 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.28 1jc1 s VAL 16 N 1.12 1.32 -0.08 1.68 1.01 0.51 -0.18 120.40 125.78 1jc1 s VAL 16 Ca 0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 1jc1 s VAL 16 Cb -0.14 -1.20 0.03 0.00 0.00 0.00 0.00 36.38 35.06 1jc1 s VAL 16 CO -0.07 0.40 -0.02 -1.61 0.00 0.00 0.00 175.10 173.79 1jc1 s GLU 17 N 0.81 0.88 -0.06 2.72 0.41 -0.55 0.14 118.70 123.05 1jc1 s GLU 17 Ca -0.11 -0.01 0.04 0.00 -0.41 0.00 0.00 54.97 54.47 1jc1 s GLU 17 Cb -0.15 -1.13 0.00 0.00 -1.78 0.00 0.00 34.13 31.07 1jc1 s GLU 17 CO 0.02 -0.27 -0.18 -1.17 -0.49 0.00 0.00 175.26 173.17 1jc1 s LEU 18 N 1.79 1.89 -0.16 1.80 2.96 -0.37 -1.01 118.68 125.58 1jc1 s LEU 18 Ca 0.03 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1jc1 s LEU 18 Cb -0.13 -1.03 0.02 0.00 0.50 0.00 0.00 46.19 45.55 1jc1 s LEU 18 CO -0.05 0.13 -0.20 -1.81 -1.32 0.00 0.00 176.35 173.09 1jc1 s ASP 19 N 0.22 3.09 0.31 3.68 1.01 -0.19 -0.88 116.67 123.90 1jc1 s ASP 19 Ca -0.09 -0.62 0.03 0.00 0.71 0.00 0.00 52.55 52.58 1jc1 s ASP 19 Cb -0.14 -1.45 -0.04 0.00 1.01 0.00 0.00 42.92 42.31 1jc1 s ASP 19 CO 0.04 0.03 0.16 -0.83 0.21 0.00 0.00 175.17 174.77 1jc1 s GLY 20 N 1.13 2.07 -0.30 0.21 0.00 -0.38 -0.12 107.32 109.92 1jc1 s GLY 20 Ca 0.01 -1.75 -0.06 0.00 0.00 0.00 0.00 44.72 42.91 1jc1 s GLY 20 CO -0.09 -1.59 0.73 -0.35 0.00 0.00 0.00 173.10 171.80 1jc1 s ASP 21 N -3.38 -1.10 -0.19 1.64 -1.08 -0.72 -2.44 116.67 109.40 1jc1 s ASP 21 Ca 0.35 0.91 0.01 0.00 -0.52 0.00 0.00 52.55 53.30 1jc1 s ASP 21 Cb 0.05 2.01 0.03 0.00 -1.46 0.00 0.00 42.92 43.55 1jc1 s ASP 21 CO 0.17 -0.21 -0.18 -0.69 0.52 0.00 0.00 175.17 174.79 1jc1 s VAL 22 N 2.84 2.03 -1.56 1.11 1.01 0.18 -0.86 120.40 125.16 1jc1 s VAL 22 Ca 0.09 -1.02 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 1jc1 s VAL 22 Cb -0.13 -1.89 0.07 0.00 0.00 0.00 0.00 36.38 34.43 1jc1 s VAL 22 CO -0.19 0.44 0.49 0.59 0.00 0.00 0.00 175.10 176.43 1jc1 n ASN 23 N 4.60 -1.21 0.00 3.32 4.13 -0.91 0.28 115.26 125.47 1jc1 n ASN 23 Ca -0.19 -1.07 0.00 0.00 1.68 0.00 0.00 54.58 55.00 1jc1 n ASN 23 Cb 0.49 -2.64 0.00 0.00 -1.54 0.00 0.00 39.78 36.09 1jc1 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jc1 n GLY 24 N -1.84 2.95 3.68 7.41 0.00 -1.26 -4.95 105.19 111.18 1jc1 n GLY 24 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 1jc1 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jc1 s HIS 25 N -1.82 3.31 -0.02 1.61 3.76 0.80 -5.01 115.29 117.93 1jc1 s HIS 25 Ca 0.00 1.39 -0.06 0.00 -0.15 0.00 0.00 55.06 56.24 1jc1 s HIS 25 Cb 0.00 -3.31 -0.04 0.00 1.11 0.00 0.00 32.58 30.33 1jc1 s HIS 25 CO 0.00 -0.78 0.23 0.15 -0.85 0.00 0.00 174.74 173.49 1jc1 s LYS 26 N 2.46 3.53 0.18 1.40 1.02 -1.26 0.47 119.74 127.53 1jc1 s LYS 26 Ca 0.51 -0.14 -0.24 0.00 0.02 0.00 0.00 55.97 56.12 1jc1 s LYS 26 Cb -0.20 -3.10 0.05 0.00 -0.52 0.00 0.00 37.83 34.06 1jc1 s LYS 26 CO 0.17 0.68 0.86 -0.59 -0.92 0.00 0.00 175.35 175.54 1jc1 s PHE 27 N -1.26 -0.19 -0.07 3.18 -0.71 -1.02 -4.95 117.98 112.95 1jc1 s PHE 27 Ca 0.26 -0.14 -0.08 0.00 -1.04 0.00 0.00 56.93 55.93 1jc1 s PHE 27 Cb -0.13 0.65 0.02 0.00 -1.21 0.00 0.00 43.02 42.35 1jc1 s PHE 27 CO 0.15 -0.93 0.22 -1.12 -1.34 0.00 0.00 175.22 172.21 1jc1 s SER 28 N -2.88 -0.20 -0.01 1.98 0.01 -1.26 -1.25 113.70 110.09 1jc1 s SER 28 Ca 0.10 0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.76 1jc1 s SER 28 Cb -0.03 0.43 -0.01 0.00 0.21 0.00 0.00 66.02 66.62 1jc1 s SER 28 CO 0.02 -0.14 -0.13 -0.69 0.41 0.00 0.00 173.24 172.71 1jc1 s VAL 29 N -0.15 1.00 -0.01 3.43 1.01 -0.06 0.99 120.40 126.62 1jc1 s VAL 29 Ca -0.03 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.48 1jc1 s VAL 29 Cb -0.03 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1jc1 s VAL 29 CO 0.01 0.28 -0.23 -0.44 0.00 0.00 0.00 175.10 174.72 1jc1 s SER 30 N -0.31 2.70 0.03 3.32 0.01 0.39 -1.23 113.70 118.61 1jc1 s SER 30 Ca 0.05 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 56.91 1jc1 s SER 30 Cb -0.05 -0.29 -0.02 0.00 0.21 0.00 0.00 66.02 65.87 1jc1 s SER 30 CO -0.00 0.27 -0.09 -0.83 0.41 0.00 0.00 173.24 173.00 1jc1 s GLY 31 N -0.62 0.53 0.05 3.44 0.00 0.12 0.32 107.32 111.15 1jc1 s GLY 31 Ca 0.09 -0.64 0.02 0.00 0.00 0.00 0.00 44.72 44.20 1jc1 s GLY 31 CO -0.01 -0.64 -0.08 -1.83 0.00 0.00 0.00 173.10 170.54 1jc1 s GLU 32 N -1.03 0.56 0.00 2.90 4.04 0.05 -0.36 118.70 124.85 1jc1 s GLU 32 Ca -0.03 -0.79 0.00 0.00 0.04 0.00 0.00 54.97 54.19 1jc1 s GLU 32 Cb -0.07 -0.33 0.00 0.00 0.02 0.00 0.00 34.13 33.75 1jc1 s GLU 32 CO 0.01 0.06 0.00 0.41 -1.84 0.00 0.00 175.26 173.89 1jc1 n GLY 33 N 1.40 -0.58 3.27 -3.83 0.00 -0.53 -0.99 105.19 103.93 1jc1 n GLY 33 Ca -0.22 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 1jc1 n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jc1 s GLU 34 N -1.03 0.98 0.06 1.61 -1.05 -0.26 0.14 118.70 119.15 1jc1 s GLU 34 Ca 0.00 -0.89 0.05 0.00 -0.15 0.00 0.00 54.97 53.98 1jc1 s GLU 34 Cb 0.00 0.40 -0.03 0.00 -0.44 0.00 0.00 34.13 34.06 1jc1 s GLU 34 CO 0.00 -0.35 -0.15 0.20 0.95 0.00 0.00 175.26 175.91 1jc1 s GLY 35 N -2.85 0.86 -0.48 -3.83 0.00 0.58 -0.80 107.32 100.80 1jc1 s GLY 35 Ca 0.06 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 43.89 1jc1 s GLY 35 CO -0.10 -0.94 0.40 1.34 0.00 0.00 0.00 173.10 173.81 1jc1 n ASP 36 N 1.57 0.48 0.23 1.64 4.64 0.38 0.31 116.55 125.80 1jc1 n ASP 36 Ca -0.19 -2.62 0.18 0.00 -1.38 0.00 0.00 54.79 50.78 1jc1 n ASP 36 Cb 0.54 -0.61 0.86 0.00 -1.04 0.00 0.00 41.12 40.88 1jc1 n ASP 36 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1jc1 h ALA 37 N 5.38 1.67 -0.13 -1.67 0.00 -1.73 0.83 119.26 123.61 1jc1 h ALA 37 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1jc1 h ALA 37 Cb 0.86 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1jc1 h ALA 37 CO 0.47 -0.32 0.04 1.15 0.00 0.00 0.00 179.25 180.59 1jc1 h THR 38 N 0.00 1.06 -0.11 0.00 2.02 -1.87 -2.15 112.91 111.86 1jc1 h THR 38 Ca 0.08 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1jc1 h THR 38 Cb 0.55 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1jc1 h THR 38 CO -0.00 0.07 0.00 -1.22 0.37 0.00 0.00 175.52 174.74 1jc1 n TYR 39 N -4.47 0.13 -2.58 3.16 4.01 -0.03 -4.98 117.16 112.41 1jc1 n TYR 39 Ca -0.01 -0.12 -0.20 0.00 -0.16 0.00 0.00 57.90 57.41 1jc1 n TYR 39 Cb 0.12 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 1jc1 n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jc1 n GLY 40 N 0.76 -0.51 3.59 2.72 0.00 0.08 -4.76 105.19 107.07 1jc1 n GLY 40 Ca 0.09 0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1jc1 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jc1 s LYS 41 N -5.23 2.75 -0.05 1.61 2.20 -0.81 -0.86 119.74 119.34 1jc1 s LYS 41 Ca 0.08 -0.55 0.06 0.00 -0.36 0.00 0.00 55.97 55.20 1jc1 s LYS 41 Cb -0.04 -2.59 -0.01 0.00 -1.51 0.00 0.00 37.83 33.68 1jc1 s LYS 41 CO 0.10 0.66 -0.23 -0.51 -0.36 0.00 0.00 175.35 175.02 1jc1 s LEU 42 N -0.83 2.02 -0.14 5.43 1.43 -0.83 -0.47 118.68 125.29 1jc1 s LEU 42 Ca 0.13 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 1jc1 s LEU 42 Cb -0.11 -1.24 0.05 0.00 0.03 0.00 0.00 46.19 44.91 1jc1 s LEU 42 CO 0.02 0.22 0.04 0.42 0.23 0.00 0.00 176.35 177.28 1jc1 s THR 43 N -0.12 0.26 0.10 5.49 -4.23 0.02 -2.25 115.64 114.91 1jc1 s THR 43 Ca -0.03 -0.19 0.03 0.00 -1.18 0.00 0.00 61.69 60.32 1jc1 s THR 43 Cb -0.13 -0.70 -0.04 0.00 1.34 0.00 0.00 72.50 72.98 1jc1 s THR 43 CO 0.03 -0.07 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.19 1jc1 s LEU 44 N 1.99 2.44 -0.12 4.79 1.43 -0.14 -1.11 118.68 127.96 1jc1 s LEU 44 Ca 0.02 -0.87 0.01 0.00 -1.03 0.00 0.00 54.13 52.26 1jc1 s LEU 44 Cb -0.15 -0.21 0.02 0.00 0.03 0.00 0.00 46.19 45.88 1jc1 s LEU 44 CO -0.07 -0.33 -0.13 -0.75 0.23 0.00 0.00 176.35 175.29 1jc1 s LYS 45 N -3.11 2.08 -0.10 1.70 2.20 -0.16 -1.01 119.74 121.33 1jc1 s LYS 45 Ca 0.07 -0.49 -0.04 0.00 -0.36 0.00 0.00 55.97 55.15 1jc1 s LYS 45 Cb -0.00 -1.88 -0.04 0.00 -1.51 0.00 0.00 37.83 34.40 1jc1 s LYS 45 CO -0.02 -0.16 0.06 -0.06 -0.36 0.00 0.00 175.35 174.82 1jc1 s PHE 46 N 1.29 3.36 -0.04 4.03 0.40 0.12 -0.77 117.98 126.37 1jc1 s PHE 46 Ca -0.01 0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.69 1jc1 s PHE 46 Cb -0.14 -1.87 0.00 0.00 0.51 0.00 0.00 43.02 41.53 1jc1 s PHE 46 CO -0.06 0.57 -0.12 0.42 0.70 0.00 0.00 175.22 176.73 1jc1 s ILE 47 N -0.89 1.06 0.15 0.64 1.09 0.15 0.36 121.20 123.76 1jc1 s ILE 47 Ca 0.14 -0.49 -0.29 0.00 -1.10 0.00 0.00 60.65 58.90 1jc1 s ILE 47 Cb -0.12 -0.94 -0.07 0.00 -1.06 0.00 0.00 42.46 40.28 1jc1 s ILE 47 CO 0.03 0.32 0.92 -0.55 -0.10 0.00 0.00 174.94 175.57 1jc1 s SER 48 N 0.27 7.51 0.00 3.58 0.15 0.06 0.15 113.70 125.42 1jc1 s SER 48 Ca -0.06 1.80 0.12 0.00 0.70 0.00 0.00 55.95 58.51 1jc1 s SER 48 Cb -0.11 -2.58 0.16 0.00 -1.71 0.00 0.00 66.02 61.78 1jc1 s SER 48 CO 0.02 0.03 0.98 0.35 1.20 0.00 0.00 173.24 175.82 1jc1 n THR 49 N 2.30 0.28 -1.71 6.45 -2.24 0.28 -4.49 114.28 115.16 1jc1 n THR 49 Ca -0.00 -0.64 -0.07 0.00 -2.27 0.00 0.00 64.05 61.07 1jc1 n THR 49 Cb 0.49 1.04 0.14 0.00 -2.10 0.00 0.00 70.33 69.89 1jc1 n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jc1 n THR 50 N 0.63 2.43 0.00 4.28 -2.24 -1.22 -4.90 114.28 113.27 1jc1 n THR 50 Ca 0.08 -3.47 0.00 0.00 -2.27 0.00 0.00 64.05 58.39 1jc1 n THR 50 Cb 0.33 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1jc1 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jc1 n GLY 51 N -0.98 -0.69 3.68 3.38 0.00 -1.26 -4.83 105.19 104.49 1jc1 n GLY 51 Ca 0.32 -1.73 -0.55 0.00 0.00 0.00 0.00 46.02 44.05 1jc1 n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jc1 n LYS 52 N -0.69 1.23 -1.68 1.61 3.00 -1.26 -4.76 118.16 115.60 1jc1 n LYS 52 Ca 0.00 0.45 -0.39 0.00 -0.00 0.00 0.00 58.31 58.37 1jc1 n LYS 52 Cb 0.00 -2.13 0.04 0.00 0.00 0.00 0.00 35.03 32.94 1jc1 n LYS 52 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1jc1 n LEU 53 N 4.70 4.48 0.14 3.14 4.77 -1.26 -4.94 117.00 128.02 1jc1 n LEU 53 Ca 0.24 0.93 0.01 0.00 -0.03 0.00 0.00 56.01 57.17 1jc1 n LEU 53 Cb 0.16 -1.48 0.07 0.00 -2.33 0.00 0.00 43.42 39.84 1jc1 n LEU 53 CO 0.75 -1.12 0.46 -0.65 -1.33 0.00 0.00 177.39 175.50 1jc1 h PRO 54 N 1.16 0.00 -5.56 3.23 0.10 -1.92 -3.45 132.00 125.55 1jc1 h PRO 54 Ca -0.49 0.00 -0.57 0.00 0.10 0.00 0.00 66.00 65.04 1jc1 h PRO 54 Cb 1.33 0.00 -0.13 0.00 0.10 0.00 0.00 31.00 32.29 1jc1 h PRO 54 CO 0.55 0.57 -0.62 0.14 0.10 0.00 0.00 178.00 178.74 1jc1 s VAL 55 N -3.07 1.77 0.38 3.15 -7.23 -1.26 -4.72 120.40 109.41 1jc1 s VAL 55 Ca 0.02 -2.04 -0.25 0.00 -1.81 0.00 0.00 61.98 57.91 1jc1 s VAL 55 Cb 0.09 -2.84 -0.09 0.00 0.56 0.00 0.00 36.38 34.10 1jc1 s VAL 55 CO 0.75 -0.06 1.03 -2.84 -0.31 0.00 0.00 175.10 173.67 1jc1 s PRO 56 N -3.75 4.27 0.19 4.82 0.02 -1.26 -4.95 135.00 134.34 1jc1 s PRO 56 Ca 0.34 1.48 -0.18 0.00 0.02 0.00 0.00 61.00 62.66 1jc1 s PRO 56 Cb 0.08 -2.61 0.15 0.00 0.02 0.00 0.00 34.50 32.14 1jc1 s PRO 56 CO 0.16 -0.04 1.61 -1.49 -0.33 0.00 0.00 177.00 176.91 1jc1 h TRP 57 N 2.66 -0.63 -0.36 6.54 4.06 -1.97 -0.85 115.95 125.41 1jc1 h TRP 57 Ca -0.48 0.06 0.10 0.00 2.06 0.00 0.00 58.89 60.63 1jc1 h TRP 57 Cb 1.21 0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 29.71 1jc1 h TRP 57 CO 0.59 -0.33 0.28 -1.35 -3.56 0.00 0.00 178.44 174.07 1jc1 h PRO 58 N -0.12 0.00 0.00 0.49 0.11 -1.90 0.90 132.00 131.48 1jc1 h PRO 58 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1jc1 h PRO 58 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1jc1 h PRO 58 CO -0.61 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.43 1jc1 n THR 59 N -4.27 0.70 1.11 -1.15 -2.24 -0.32 -3.19 114.28 104.92 1jc1 n THR 59 Ca 0.06 -0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1jc1 n THR 59 Cb 0.46 -0.88 0.16 0.00 -2.10 0.00 0.00 70.33 67.96 1jc1 n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jc1 n LEU 60 N -2.21 1.67 0.05 3.22 4.77 0.31 -4.56 117.00 120.24 1jc1 n LEU 60 Ca 0.04 -0.57 -0.11 0.00 -0.03 0.00 0.00 56.01 55.34 1jc1 n LEU 60 Cb 0.32 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1jc1 n LEU 60 CO 0.24 0.31 0.69 0.58 -1.33 0.00 0.00 177.39 177.88 1jc1 h VAL 61 N 2.05 0.41 -0.70 4.08 2.07 -1.57 0.49 116.25 123.09 1jc1 h VAL 61 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1jc1 h VAL 61 Cb 0.66 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.76 1jc1 h VAL 61 CO 0.00 0.00 0.28 0.71 0.02 0.00 0.00 177.57 178.58 1jc1 h THR 62 N -0.39 0.73 -0.25 2.57 1.35 -1.83 -0.17 112.91 114.92 1jc1 h THR 62 Ca 0.07 -0.16 -0.05 0.00 -0.55 0.00 0.00 66.41 65.72 1jc1 h THR 62 Cb 0.48 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.12 1jc1 h THR 62 CO -0.24 0.08 -0.04 0.74 -0.25 0.00 0.00 175.52 175.81 1jc1 h THR 63 N 0.45 1.28 0.00 6.82 2.02 -1.63 -3.46 112.91 118.39 1jc1 h THR 63 Ca 0.37 -1.03 -0.06 0.00 0.77 0.00 0.00 66.41 66.46 1jc1 h THR 63 Cb 0.49 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1jc1 h THR 63 CO -0.35 0.32 0.09 0.18 0.37 0.00 0.00 175.52 176.13 1jc1 n LEU 64 N -4.57 2.28 0.00 2.58 4.77 0.17 -5.04 117.00 117.18 1jc1 n LEU 64 Ca -0.04 -1.52 0.00 0.00 -0.03 0.00 0.00 56.01 54.42 1jc1 n LEU 64 Cb 0.28 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1jc1 n LEU 64 CO 0.39 0.45 0.00 1.33 -1.33 0.00 0.00 177.39 178.23 1jc1 n VAL 68 N 2.56 0.00 0.06 4.08 0.24 -1.26 -5.03 118.33 118.98 1jc1 n VAL 68 Ca 0.14 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.48 1jc1 n VAL 68 Cb 0.36 0.00 0.19 0.00 -1.47 0.00 0.00 33.84 32.92 1jc1 n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jc1 n GLN 69 N 0.00 0.04 0.00 7.34 6.02 -1.26 -1.14 117.38 128.39 1jc1 n GLN 69 Ca 0.00 0.54 0.05 0.00 -0.01 0.00 0.00 57.00 57.58 1jc1 n GLN 69 Cb 0.00 -1.64 0.23 0.00 1.02 0.00 0.00 30.24 29.85 1jc1 n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jc1 n PHE 71 N -1.40 0.47 -2.18 0.00 3.72 -0.29 -4.71 117.46 113.08 1jc1 n PHE 71 Ca 0.04 -0.23 -0.37 0.00 -0.05 0.00 0.00 57.45 56.83 1jc1 n PHE 71 Cb 0.10 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 1jc1 n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1jc1 s SER 72 N -1.19 5.90 -0.47 4.37 0.01 -0.79 -4.22 113.70 117.31 1jc1 s SER 72 Ca 0.30 2.35 -0.26 0.00 1.31 0.00 0.00 55.95 59.65 1jc1 s SER 72 Cb 0.16 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.82 1jc1 s SER 72 CO 0.22 -1.11 0.96 -0.60 0.41 0.00 0.00 173.24 173.12 1jc1 s ARG 73 N -2.88 3.55 -0.41 12.44 3.52 -0.29 -4.85 118.95 130.03 1jc1 s ARG 73 Ca 0.67 0.21 -0.16 0.00 -0.13 0.00 0.00 55.73 56.32 1jc1 s ARG 73 Cb -0.29 -3.93 0.02 0.00 -1.56 0.00 0.00 34.95 29.19 1jc1 s ARG 73 CO 0.35 -1.25 0.39 0.71 -0.81 0.00 0.00 175.30 174.69 1jc1 s TYR 74 N 3.86 3.19 0.85 5.12 1.51 -1.26 -0.99 117.35 129.63 1jc1 s TYR 74 Ca 0.38 -0.39 -0.10 0.00 -1.01 0.00 0.00 57.07 55.95 1jc1 s TYR 74 Cb -0.10 -2.79 0.11 0.00 -0.11 0.00 0.00 41.96 39.07 1jc1 s TYR 74 CO 0.27 -0.64 1.12 -1.25 -1.11 0.00 0.00 175.55 173.94 1jc1 s PRO 75 N 2.01 1.55 0.24 -1.71 0.04 -1.26 -4.71 135.00 131.15 1jc1 s PRO 75 Ca 0.10 1.37 -0.05 0.00 0.04 0.00 0.00 61.00 62.47 1jc1 s PRO 75 Cb -0.17 -1.80 0.43 0.00 0.04 0.00 0.00 34.50 33.00 1jc1 s PRO 75 CO 0.12 -2.21 1.74 -0.44 0.04 0.00 0.00 177.00 176.26 1jc1 h ASP 76 N -1.55 0.32 0.22 6.66 5.19 -2.00 0.18 116.42 125.44 1jc1 h ASP 76 Ca -0.43 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.07 1jc1 h ASP 76 Cb 1.25 0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1jc1 h ASP 76 CO 0.46 0.14 0.00 0.00 -3.12 0.00 0.00 179.24 176.72 1jc1 n HIS 77 N -4.97 0.00 0.36 4.55 1.44 -1.26 -1.60 115.22 113.73 1jc1 n HIS 77 Ca 0.14 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.89 1jc1 n HIS 77 Cb 0.39 -0.24 0.03 0.00 0.12 0.00 0.00 29.99 30.29 1jc1 n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1jc1 n MET 78 N -1.24 0.51 -0.34 -1.40 2.81 0.62 -4.69 117.12 113.38 1jc1 n MET 78 Ca 0.07 -0.94 0.36 0.00 -1.81 0.00 0.00 57.70 55.38 1jc1 n MET 78 Cb 0.10 -1.14 0.67 0.00 -0.71 0.00 0.00 33.22 32.14 1jc1 n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1jc1 h LYS 79 N 1.58 0.00 0.00 0.03 1.79 -0.99 0.14 116.57 119.11 1jc1 h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1jc1 h LYS 79 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1jc1 h LYS 79 CO 0.00 0.00 0.00 -2.13 -1.08 0.00 0.00 179.45 176.24 1jc1 n ARG 80 N -3.74 0.92 -0.10 3.15 3.00 -1.26 -1.95 116.66 116.67 1jc1 n ARG 80 Ca 0.28 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 58.16 1jc1 n ARG 80 Cb 1.47 -1.32 0.09 0.00 0.00 0.00 0.00 32.46 32.70 1jc1 n ARG 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1jc1 n HIS 81 N -0.82 0.28 -3.05 -0.14 8.25 0.48 -4.48 115.22 115.74 1jc1 n HIS 81 Ca 0.14 -0.45 -0.44 0.00 -0.26 0.00 0.00 57.72 56.71 1jc1 n HIS 81 Cb 0.06 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1jc1 n HIS 81 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1jc1 n ASP 82 N 0.20 5.35 0.03 0.41 -0.08 -1.25 -4.42 116.55 116.79 1jc1 n ASP 82 Ca 0.07 -3.02 -0.11 0.00 -1.51 0.00 0.00 54.79 50.23 1jc1 n ASP 82 Cb 0.35 -1.50 -0.04 0.00 2.34 0.00 0.00 41.12 42.27 1jc1 n ASP 82 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1jc1 h PHE 83 N 6.86 -0.69 -0.62 -0.67 3.57 -1.89 -3.07 116.94 120.42 1jc1 h PHE 83 Ca 0.28 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.93 1jc1 h PHE 83 Cb 0.85 0.32 -0.11 0.00 2.79 0.00 0.00 35.95 39.80 1jc1 h PHE 83 CO 0.99 -0.34 -0.10 0.74 -2.23 0.00 0.00 178.31 177.37 1jc1 h PHE 84 N -0.36 -0.23 -0.27 0.41 0.04 -1.89 -1.14 116.94 113.51 1jc1 h PHE 84 Ca 0.08 0.05 -0.14 0.00 2.80 0.00 0.00 57.97 60.77 1jc1 h PHE 84 Cb 0.48 0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.82 1jc1 h PHE 84 CO -0.33 -0.24 -0.37 0.87 -0.60 0.00 0.00 178.31 177.65 1jc1 h LYS 85 N 0.04 0.72 -0.40 1.51 1.57 -1.83 -3.26 116.57 114.92 1jc1 h LYS 85 Ca 0.31 -0.42 0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1jc1 h LYS 85 Cb 0.49 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1jc1 h LYS 85 CO -0.61 1.04 0.27 0.66 -0.57 0.00 0.00 179.45 180.24 1jc1 h SER 86 N 0.45 0.32 0.75 0.86 4.64 -1.15 0.40 113.55 119.82 1jc1 h SER 86 Ca 0.03 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1jc1 h SER 86 Cb 0.96 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1jc1 h SER 86 CO 0.09 0.22 0.00 0.00 -0.87 0.00 0.00 176.83 176.27 1jc1 n ALA 87 N -2.51 1.92 -2.13 5.18 0.00 -0.67 -4.63 120.51 117.66 1jc1 n ALA 87 Ca 0.04 -0.05 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 1jc1 n ALA 87 Cb 0.19 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1jc1 n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1jc1 s MET 88 N -3.04 3.57 0.31 0.00 1.00 0.14 -1.45 119.30 119.83 1jc1 s MET 88 Ca 0.09 0.40 0.24 0.00 0.00 0.00 0.00 55.69 56.42 1jc1 s MET 88 Cb 0.13 -2.28 0.40 0.00 0.00 0.00 0.00 34.83 33.08 1jc1 s MET 88 CO 0.38 -0.32 1.52 -1.00 0.00 0.00 0.00 175.02 175.61 1jc1 h PRO 89 N 0.09 0.00 -1.02 2.03 0.13 -1.86 -3.37 132.00 128.00 1jc1 h PRO 89 Ca -0.46 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 64.93 1jc1 h PRO 89 Cb 1.20 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 1jc1 h PRO 89 CO 0.62 0.00 0.62 0.93 -0.23 0.00 0.00 178.00 179.94 1jc1 h GLU 90 N 0.00 0.48 0.00 0.86 3.07 -1.92 -2.74 114.58 114.33 1jc1 h GLU 90 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1jc1 h GLU 90 Cb 0.91 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1jc1 h GLU 90 CO 0.00 0.32 0.00 0.41 -1.40 0.00 0.00 179.01 178.34 1jc1 n GLY 91 N -1.35 -2.09 3.11 -3.84 0.00 -0.53 -4.69 105.19 95.79 1jc1 n GLY 91 Ca 0.27 -2.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.19 1jc1 n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jc1 s TYR 92 N -0.15 0.40 -0.17 1.61 -0.85 -0.34 -0.76 117.35 117.09 1jc1 s TYR 92 Ca 0.00 -0.88 -0.09 0.00 -0.52 0.00 0.00 57.07 55.57 1jc1 s TYR 92 Cb 0.00 -0.29 -0.05 0.00 0.38 0.00 0.00 41.96 42.01 1jc1 s TYR 92 CO 0.00 -0.40 0.15 0.08 -1.52 0.00 0.00 175.55 173.86 1jc1 s VAL 93 N -3.62 5.43 -0.17 -3.49 1.01 0.24 -0.07 120.40 119.73 1jc1 s VAL 93 Ca 0.04 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.25 1jc1 s VAL 93 Cb 0.05 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 33.00 1jc1 s VAL 93 CO -0.09 0.49 -0.16 -1.58 0.00 0.00 0.00 175.10 173.76 1jc1 s GLN 94 N -0.08 2.56 0.10 2.72 0.74 0.52 -1.89 119.66 124.34 1jc1 s GLN 94 Ca 0.11 -0.72 0.10 0.00 0.05 0.00 0.00 55.36 54.90 1jc1 s GLN 94 Cb -0.12 -2.35 -0.04 0.00 1.10 0.00 0.00 33.01 31.61 1jc1 s GLN 94 CO 0.00 -0.25 -0.26 -1.21 -0.55 0.00 0.00 175.29 173.02 1jc1 s GLU 95 N 1.38 1.49 0.07 1.67 2.02 -0.14 -0.19 118.70 125.00 1jc1 s GLU 95 Ca 0.04 -1.26 -0.05 0.00 0.02 0.00 0.00 54.97 53.72 1jc1 s GLU 95 Cb -0.13 -1.87 -0.02 0.00 0.10 0.00 0.00 34.13 32.20 1jc1 s GLU 95 CO -0.11 0.46 0.08 1.03 0.02 0.00 0.00 175.26 176.73 1jc1 s ARG 96 N -1.81 0.72 -0.12 1.61 0.52 0.26 -1.59 118.95 118.55 1jc1 s ARG 96 Ca 0.13 -1.07 0.01 0.00 -0.52 0.00 0.00 55.73 54.27 1jc1 s ARG 96 Cb -0.10 0.27 0.02 0.00 0.52 0.00 0.00 34.95 35.66 1jc1 s ARG 96 CO 0.05 -0.19 -0.12 0.99 0.02 0.00 0.00 175.30 176.05 1jc1 s THR 97 N -3.82 1.33 -0.15 0.02 2.01 0.72 -0.70 115.64 115.05 1jc1 s THR 97 Ca 0.05 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.55 1jc1 s THR 97 Cb 0.06 -1.26 0.00 0.00 0.01 0.00 0.00 72.50 71.31 1jc1 s THR 97 CO -0.10 0.41 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.43 1jc1 s ILE 98 N 1.29 2.37 -0.29 1.82 1.01 0.30 -1.84 121.20 125.87 1jc1 s ILE 98 Ca -0.01 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 1jc1 s ILE 98 Cb -0.14 -1.98 0.02 0.00 0.01 0.00 0.00 42.46 40.37 1jc1 s ILE 98 CO -0.05 0.53 0.04 -0.36 0.00 0.00 0.00 174.94 175.10 1jc1 s PHE 99 N 0.80 3.14 -0.28 3.97 0.40 -0.51 -1.70 117.98 123.80 1jc1 s PHE 99 Ca -0.06 -1.18 -0.21 0.00 -0.60 0.00 0.00 56.93 54.87 1jc1 s PHE 99 Cb -0.15 -2.20 -0.01 0.00 0.51 0.00 0.00 43.02 41.16 1jc1 s PHE 99 CO -0.01 -0.63 0.69 -0.06 0.70 0.00 0.00 175.22 175.91 1jc1 s PHE 100 N 1.44 3.25 -0.08 0.36 0.40 -0.85 -1.09 117.98 121.41 1jc1 s PHE 100 Ca 0.01 0.80 -0.39 0.00 -0.60 0.00 0.00 56.93 56.75 1jc1 s PHE 100 Cb -0.17 -2.98 -0.17 0.00 0.51 0.00 0.00 43.02 40.20 1jc1 s PHE 100 CO 0.01 -0.42 1.43 1.17 0.70 0.00 0.00 175.22 178.10 1jc1 n LYS 101 N 5.89 0.85 -1.87 0.44 4.81 -0.20 -0.86 118.16 127.22 1jc1 n LYS 101 Ca 0.01 0.31 -0.16 0.00 -0.87 0.00 0.00 58.31 57.60 1jc1 n LYS 101 Cb 0.49 -1.93 -0.04 0.00 0.02 0.00 0.00 35.03 33.57 1jc1 n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jc1 n ASP 102 N 3.26 -4.84 -0.60 3.14 8.00 -1.26 -4.86 116.55 119.39 1jc1 n ASP 102 Ca 0.22 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.91 1jc1 n ASP 102 Cb 0.13 -3.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.38 1jc1 n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1jc1 n ASP 103 N -0.80 0.00 -2.84 -2.24 -0.08 -0.04 -4.86 116.55 105.69 1jc1 n ASP 103 Ca -0.17 -0.60 -0.07 0.00 -1.51 0.00 0.00 54.79 52.43 1jc1 n ASP 103 Cb 0.58 0.00 0.06 0.00 2.34 0.00 0.00 41.12 44.11 1jc1 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jc1 n GLY 104 N 0.00 -2.85 3.27 0.27 0.00 -1.05 -4.52 105.19 100.31 1jc1 n GLY 104 Ca 0.00 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.50 1jc1 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jc1 s ASN 105 N -2.23 -0.17 0.01 1.61 2.20 -0.11 -2.02 114.94 114.23 1jc1 s ASN 105 Ca 0.17 -0.10 0.02 0.00 -0.94 0.00 0.00 52.86 52.00 1jc1 s ASN 105 Cb -0.02 0.36 -0.04 0.00 -2.00 0.00 0.00 41.25 39.56 1jc1 s ASN 105 CO 0.13 -0.60 0.00 -0.31 -2.94 0.00 0.00 177.10 173.39 1jc1 s TYR 106 N -2.33 3.07 -0.11 1.54 2.02 -0.69 -1.06 117.35 119.80 1jc1 s TYR 106 Ca -0.06 0.07 0.01 0.00 -0.37 0.00 0.00 57.07 56.72 1jc1 s TYR 106 Cb -0.02 -1.66 0.02 0.00 -0.40 0.00 0.00 41.96 39.90 1jc1 s TYR 106 CO -0.02 0.47 -0.14 0.15 -1.57 0.00 0.00 175.55 174.44 1jc1 s LYS 107 N -1.65 2.15 0.10 -0.62 1.02 0.90 0.11 119.74 121.75 1jc1 s LYS 107 Ca 0.20 -0.53 0.03 0.00 0.02 0.00 0.00 55.97 55.69 1jc1 s LYS 107 Cb -0.12 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.29 1jc1 s LYS 107 CO 0.11 -0.10 -0.08 0.95 -0.92 0.00 0.00 175.35 175.31 1jc1 s THR 108 N 1.10 0.83 -0.10 2.17 -4.23 0.12 -0.97 115.64 114.56 1jc1 s THR 108 Ca -0.04 -1.80 -0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1jc1 s THR 108 Cb -0.14 -1.53 0.03 0.00 1.34 0.00 0.00 72.50 72.20 1jc1 s THR 108 CO -0.03 -0.72 0.24 -0.60 -0.54 0.00 0.00 174.62 172.97 1jc1 s ARG 109 N -3.33 0.26 0.14 3.99 3.52 -1.06 -0.57 118.95 121.90 1jc1 s ARG 109 Ca 0.09 0.39 -0.11 0.00 -0.13 0.00 0.00 55.73 55.97 1jc1 s ARG 109 Cb 0.01 0.07 0.00 0.00 -1.56 0.00 0.00 34.95 33.47 1jc1 s ARG 109 CO -0.02 -0.07 0.31 0.00 -0.81 0.00 0.00 175.30 174.71 1jc1 s ALA 110 N 0.45 -0.32 -0.13 6.12 0.00 0.73 -1.44 121.76 127.18 1jc1 s ALA 110 Ca -0.03 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1jc1 s ALA 110 Cb -0.04 0.74 0.02 0.00 0.00 0.00 0.00 23.12 23.84 1jc1 s ALA 110 CO -0.02 -0.64 -0.14 -1.21 0.00 0.00 0.00 175.76 173.75 1jc1 s GLU 111 N -3.90 2.24 -0.19 0.00 2.02 0.80 0.20 118.70 119.86 1jc1 s GLU 111 Ca 0.11 -0.55 -0.01 0.00 0.02 0.00 0.00 54.97 54.54 1jc1 s GLU 111 Cb 0.03 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 32.28 1jc1 s GLU 111 CO -0.05 -0.15 -0.14 0.14 0.02 0.00 0.00 175.26 175.08 1jc1 s VAL 112 N 1.26 2.65 0.21 2.63 -7.23 0.90 -0.95 120.40 119.87 1jc1 s VAL 112 Ca -0.01 -0.75 -0.23 0.00 -1.81 0.00 0.00 61.98 59.19 1jc1 s VAL 112 Cb -0.14 -2.15 0.04 0.00 0.56 0.00 0.00 36.38 34.69 1jc1 s VAL 112 CO -0.06 0.50 0.81 -1.59 -0.31 0.00 0.00 175.10 174.44 1jc1 s LYS 113 N 1.21 1.49 0.35 4.82 -2.85 0.09 -1.20 119.74 123.65 1jc1 s LYS 113 Ca 0.02 -0.80 -0.19 0.00 -1.00 0.00 0.00 55.97 54.01 1jc1 s LYS 113 Cb -0.14 0.53 -0.10 0.00 -2.06 0.00 0.00 37.83 36.06 1jc1 s LYS 113 CO -0.06 -0.68 0.83 -0.06 0.10 0.00 0.00 175.35 175.48 1jc1 s PHE 114 N -3.64 3.41 -0.40 1.78 0.08 -1.04 0.09 117.98 118.26 1jc1 s PHE 114 Ca 0.10 1.43 0.01 0.00 0.12 0.00 0.00 56.93 58.60 1jc1 s PHE 114 Cb -0.04 -2.70 0.13 0.00 -0.57 0.00 0.00 43.02 39.84 1jc1 s PHE 114 CO 0.03 0.06 0.20 -1.21 -0.10 0.00 0.00 175.22 174.20 1jc1 s GLU 115 N -2.86 1.09 7.79 0.44 2.02 0.20 -4.90 118.70 122.48 1jc1 s GLU 115 Ca 0.55 -1.73 0.00 0.00 0.02 0.00 0.00 54.97 53.81 1jc1 s GLU 115 Cb -0.11 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 31.95 1jc1 s GLU 115 CO 0.17 -1.13 0.00 0.41 0.02 0.00 0.00 175.26 174.73 1jc1 n GLY 116 N 3.89 2.62 0.38 -1.39 0.00 -1.26 -2.02 105.19 107.41 1jc1 n GLY 116 Ca 0.07 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.88 1jc1 n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jc1 n ASP 117 N 8.62 1.68 -4.81 1.61 9.92 -1.26 -4.91 116.55 127.40 1jc1 n ASP 117 Ca 0.00 -1.30 -0.36 0.00 -0.53 0.00 0.00 54.79 52.60 1jc1 n ASP 117 Cb 0.00 0.44 -0.07 0.00 -0.64 0.00 0.00 41.12 40.85 1jc1 n ASP 117 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1jc1 s THR 118 N -2.54 5.44 -0.13 -3.53 2.01 -0.86 -4.32 115.64 111.71 1jc1 s THR 118 Ca 0.19 0.19 -0.21 0.00 0.31 0.00 0.00 61.69 62.17 1jc1 s THR 118 Cb 0.18 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 1jc1 s THR 118 CO 0.59 0.54 0.62 -0.22 -0.69 0.00 0.00 174.62 175.46 1jc1 s LEU 119 N -0.42 4.24 -0.10 4.42 1.98 -0.64 0.59 118.68 128.76 1jc1 s LEU 119 Ca 0.12 0.96 0.03 0.00 -2.89 0.00 0.00 54.13 52.35 1jc1 s LEU 119 Cb -0.12 -2.91 -0.01 0.00 0.66 0.00 0.00 46.19 43.82 1jc1 s LEU 119 CO 0.01 -0.14 -0.21 -0.69 -1.89 0.00 0.00 176.35 173.43 1jc1 s VAL 120 N 1.16 2.31 -0.33 1.68 1.01 0.11 -1.68 120.40 124.67 1jc1 s VAL 120 Ca 0.31 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1jc1 s VAL 120 Cb -0.16 -1.90 0.09 0.00 0.00 0.00 0.00 36.38 34.41 1jc1 s VAL 120 CO 0.13 0.55 0.03 0.21 0.00 0.00 0.00 175.10 176.03 1jc1 s ASN 121 N 0.24 4.80 -0.34 3.32 2.47 0.75 -0.73 114.94 125.46 1jc1 s ASN 121 Ca -0.14 -1.83 -0.05 0.00 0.42 0.00 0.00 52.86 51.25 1jc1 s ASN 121 Cb -0.17 -1.66 0.05 0.00 -1.45 0.00 0.00 41.25 38.02 1jc1 s ASN 121 CO 0.07 -0.35 0.09 0.00 -3.72 0.00 0.00 177.10 173.19 1jc1 s ARG 122 N 1.04 2.54 0.04 0.43 1.70 -0.13 -1.48 118.95 123.09 1jc1 s ARG 122 Ca 0.04 -1.24 0.07 0.00 -0.47 0.00 0.00 55.73 54.12 1jc1 s ARG 122 Cb -0.20 -3.41 -0.02 0.00 -0.57 0.00 0.00 34.95 30.75 1jc1 s ARG 122 CO -0.06 -0.69 -0.21 0.42 -1.08 0.00 0.00 175.30 173.69 1jc1 s ILE 123 N 1.35 1.69 -0.01 4.99 1.01 -0.18 -0.14 121.20 129.91 1jc1 s ILE 123 Ca -0.02 -1.19 0.07 0.00 0.00 0.00 0.00 60.65 59.52 1jc1 s ILE 123 Cb -0.20 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 1jc1 s ILE 123 CO 0.01 0.24 -0.23 -1.61 0.00 0.00 0.00 174.94 173.35 1jc1 s GLU 124 N -1.13 1.85 0.03 2.79 2.02 -0.52 -1.02 118.70 122.73 1jc1 s GLU 124 Ca 0.08 -0.86 0.03 0.00 0.02 0.00 0.00 54.97 54.23 1jc1 s GLU 124 Cb -0.09 -1.82 -0.02 0.00 0.10 0.00 0.00 34.13 32.30 1jc1 s GLU 124 CO 0.02 0.49 -0.08 -1.17 0.02 0.00 0.00 175.26 174.54 1jc1 s LEU 125 N -0.65 2.19 -0.08 1.80 0.20 0.83 -2.56 118.68 120.42 1jc1 s LEU 125 Ca 0.09 -0.44 -0.02 0.00 0.69 0.00 0.00 54.13 54.45 1jc1 s LEU 125 Cb -0.09 -0.25 0.03 0.00 -0.43 0.00 0.00 46.19 45.45 1jc1 s LEU 125 CO -0.00 -0.11 0.03 -0.75 -0.29 0.00 0.00 176.35 175.22 1jc1 s LYS 126 N -1.22 0.35 -0.06 1.98 2.47 -0.14 -1.76 119.74 121.35 1jc1 s LYS 126 Ca -0.06 0.15 0.02 0.00 -1.56 0.00 0.00 55.97 54.52 1jc1 s LYS 126 Cb -0.08 -0.96 -0.03 0.00 -1.46 0.00 0.00 37.83 35.30 1jc1 s LYS 126 CO 0.00 -0.36 -0.11 0.20 0.16 0.00 0.00 175.35 175.25 1jc1 s GLY 127 N 2.04 1.61 0.08 5.54 0.00 -0.03 -0.07 107.32 116.49 1jc1 s GLY 127 Ca 0.04 -0.93 -0.04 0.00 0.00 0.00 0.00 44.72 43.79 1jc1 s GLY 127 CO -0.05 -0.69 0.06 -0.26 0.00 0.00 0.00 173.10 172.16 1jc1 s ILE 128 N -0.72 0.17 -0.66 0.90 -4.36 -0.22 -2.14 121.20 114.17 1jc1 s ILE 128 Ca 0.11 -1.62 0.00 0.00 -0.26 0.00 0.00 60.65 58.88 1jc1 s ILE 128 Cb -0.11 -1.57 0.00 0.00 1.25 0.00 0.00 42.46 42.03 1jc1 s ILE 128 CO 0.01 -0.77 0.00 0.47 0.24 0.00 0.00 174.94 174.89 1jc1 n ASP 129 N 0.01 -3.85 -4.75 4.36 8.00 -1.26 -0.93 116.55 118.13 1jc1 n ASP 129 Ca -0.13 0.15 -0.41 0.00 0.71 0.00 0.00 54.79 55.12 1jc1 n ASP 129 Cb 0.62 -1.90 -0.03 0.00 -0.02 0.00 0.00 41.12 39.79 1jc1 n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jc1 s PHE 130 N -2.19 3.35 -0.55 1.24 0.40 -1.26 -2.53 117.98 116.45 1jc1 s PHE 130 Ca 0.00 1.43 -0.28 0.00 -0.60 0.00 0.00 56.93 57.48 1jc1 s PHE 130 Cb 0.00 -3.48 0.01 0.00 0.51 0.00 0.00 43.02 40.05 1jc1 s PHE 130 CO 0.00 -1.34 1.48 0.15 0.70 0.00 0.00 175.22 176.20 1jc1 s LYS 131 N -0.70 3.26 0.21 0.44 1.02 -1.26 -4.85 119.74 117.85 1jc1 s LYS 131 Ca 0.51 0.55 0.13 0.00 0.02 0.00 0.00 55.97 57.18 1jc1 s LYS 131 Cb -0.35 -4.15 0.74 0.00 -0.52 0.00 0.00 37.83 33.55 1jc1 s LYS 131 CO 0.40 -1.99 0.84 0.39 -0.92 0.00 0.00 175.35 174.07 1jc1 n GLU 132 N 8.67 -0.03 -0.34 1.68 -0.58 -1.26 0.44 120.64 129.22 1jc1 n GLU 132 Ca 0.14 0.71 0.07 0.00 -0.42 0.00 0.00 57.16 57.66 1jc1 n GLU 132 Cb 0.49 -1.31 0.23 0.00 -0.57 0.00 0.00 31.44 30.27 1jc1 n GLU 132 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1jc1 n ASP 133 N -4.07 3.56 -4.70 1.62 4.64 -1.26 -3.94 116.55 112.39 1jc1 n ASP 133 Ca 0.20 -2.37 -0.29 0.00 -1.38 0.00 0.00 54.79 50.95 1jc1 n ASP 133 Cb 0.72 -0.39 0.15 0.00 -1.04 0.00 0.00 41.12 40.57 1jc1 n ASP 133 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 1jc1 s GLY 134 N -1.26 1.60 0.53 0.27 0.00 1.51 -4.55 107.32 105.42 1jc1 s GLY 134 Ca 0.34 -0.14 0.32 0.00 0.00 0.00 0.00 44.72 45.24 1jc1 s GLY 134 CO 0.16 0.39 1.86 3.43 0.00 0.00 0.00 173.10 178.94 1jc1 h ASN 135 N -1.67 0.03 0.00 1.64 -0.26 -1.94 2.22 115.58 115.60 1jc1 h ASN 135 Ca -0.51 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.23 1jc1 h ASN 135 Cb 1.30 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.56 1jc1 h ASN 135 CO 0.55 0.01 -0.22 0.40 -1.06 0.00 0.00 177.43 177.11 1jc1 h ILE 136 N 0.03 0.00 0.00 2.81 5.03 -1.92 -0.06 117.51 123.40 1jc1 h ILE 136 Ca 0.47 -0.79 0.00 0.00 -0.12 0.00 0.00 64.86 64.42 1jc1 h ILE 136 Cb 1.82 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.61 1jc1 h ILE 136 CO -0.02 0.00 0.00 -0.07 -0.68 0.00 0.00 178.15 177.38 1jc1 h LEU 137 N -0.79 0.00 0.00 1.44 3.38 -1.65 -1.31 115.31 116.38 1jc1 h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jc1 h LEU 137 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1jc1 h LEU 137 CO 0.00 0.00 -0.44 1.23 0.09 0.00 0.00 178.44 179.32 1jc1 h GLY 138 N 1.19 0.00 -5.95 0.83 0.00 0.36 -3.46 103.07 96.03 1jc1 h GLY 138 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1jc1 h GLY 138 CO 0.00 0.00 -0.88 1.42 0.00 0.00 0.00 176.54 177.08 1jc1 n HIS 139 N -2.22 -2.07 0.70 5.60 8.25 -0.50 -4.90 115.22 120.08 1jc1 n HIS 139 Ca 0.04 0.71 0.08 0.00 -0.26 0.00 0.00 57.72 58.29 1jc1 n HIS 139 Cb 0.45 -3.99 0.06 0.00 1.12 0.00 0.00 29.99 27.62 1jc1 n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1jc1 n LYS 140 N -3.95 1.39 -3.41 -0.41 5.02 -0.07 -4.99 118.16 111.74 1jc1 n LYS 140 Ca -0.16 -1.37 -0.33 0.00 -2.02 0.00 0.00 58.31 54.43 1jc1 n LYS 140 Cb 0.63 -1.31 -0.05 0.00 -0.02 0.00 0.00 35.03 34.28 1jc1 n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1jc1 s LEU 141 N -1.50 4.23 0.40 -0.35 1.43 -1.25 -1.30 118.68 120.33 1jc1 s LEU 141 Ca 0.18 0.96 -0.24 0.00 -1.03 0.00 0.00 54.13 54.00 1jc1 s LEU 141 Cb 0.14 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.74 1jc1 s LEU 141 CO 0.24 -0.01 1.08 -1.61 0.23 0.00 0.00 176.35 176.28 1jc1 s GLU 142 N -2.52 4.12 -1.27 1.70 2.02 -0.96 -4.87 118.70 116.91 1jc1 s GLU 142 Ca 0.44 1.59 -0.15 0.00 0.02 0.00 0.00 54.97 56.87 1jc1 s GLU 142 Cb -0.12 -2.56 0.12 0.00 0.10 0.00 0.00 34.13 31.66 1jc1 s GLU 142 CO 0.20 -0.20 1.66 0.98 0.02 0.00 0.00 175.26 177.93 1jc1 n TYR 143 N -0.06 4.53 -3.65 1.61 9.36 -1.26 -4.82 117.16 122.87 1jc1 n TYR 143 Ca 0.05 -3.08 -0.07 0.00 3.32 0.00 0.00 57.90 58.12 1jc1 n TYR 143 Cb 0.49 -2.36 0.00 0.00 -0.63 0.00 0.00 39.34 36.84 1jc1 n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1jc1 n ASN 144 N 6.50 -1.25 -3.64 2.98 2.04 -1.26 -4.91 115.26 115.72 1jc1 n ASN 144 Ca 0.43 -2.10 -0.07 0.00 -0.44 0.00 0.00 54.58 52.39 1jc1 n ASN 144 Cb 0.43 2.15 -0.07 0.00 -2.53 0.00 0.00 39.78 39.76 1jc1 n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.44 0.00 0.00 177.26 176.35 1jc1 s TYR 145 N -4.27 -0.60 0.64 -2.53 5.04 -1.26 -4.89 117.35 109.48 1jc1 s TYR 145 Ca 0.13 1.34 -0.06 0.00 -2.44 0.00 0.00 57.07 56.05 1jc1 s TYR 145 Cb -0.02 0.38 0.03 0.00 0.35 0.00 0.00 41.96 42.70 1jc1 s TYR 145 CO 0.10 -0.29 0.94 -0.80 -1.34 0.00 0.00 175.55 174.16 1jc1 s ASN 146 N 0.74 5.22 0.44 4.32 0.01 -1.26 -4.60 114.94 119.80 1jc1 s ASN 146 Ca -0.02 0.55 -0.07 0.00 -0.71 0.00 0.00 52.86 52.60 1jc1 s ASN 146 Cb -0.05 -1.38 -0.05 0.00 0.41 0.00 0.00 41.25 40.19 1jc1 s ASN 146 CO -0.10 -1.31 0.77 0.00 -1.51 0.00 0.00 177.10 174.95 1jc1 s HIS 148 N -2.56 0.08 -0.13 0.00 3.76 0.57 -4.94 115.29 112.07 1jc1 s HIS 148 Ca 0.49 -0.47 -0.01 0.00 -0.15 0.00 0.00 55.06 54.93 1jc1 s HIS 148 Cb -0.10 0.40 -0.02 0.00 1.11 0.00 0.00 32.58 33.97 1jc1 s HIS 148 CO 0.38 -1.05 -0.12 -0.80 -0.85 0.00 0.00 174.74 172.31 1jc1 s ASN 149 N -2.95 4.15 -0.30 1.40 -0.87 -1.26 -0.43 114.94 114.68 1jc1 s ASN 149 Ca 0.16 -0.29 -0.11 0.00 -1.57 0.00 0.00 52.86 51.05 1jc1 s ASN 149 Cb -0.02 -1.60 -0.03 0.00 -0.02 0.00 0.00 41.25 39.57 1jc1 s ASN 149 CO 0.06 0.18 0.18 -0.69 -2.57 0.00 0.00 177.10 174.25 1jc1 s VAL 150 N 0.29 5.05 -0.16 1.60 1.01 -0.45 -4.76 120.40 122.98 1jc1 s VAL 150 Ca -0.09 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.66 1jc1 s VAL 150 Cb -0.15 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1jc1 s VAL 150 CO 0.05 0.16 0.40 -0.31 0.00 0.00 0.00 175.10 175.40 1jc1 s TYR 151 N 1.71 3.45 0.02 5.22 2.02 0.06 0.16 117.35 129.98 1jc1 s TYR 151 Ca 0.06 0.71 0.07 0.00 -0.37 0.00 0.00 57.07 57.55 1jc1 s TYR 151 Cb -0.16 -2.48 -0.03 0.00 -0.40 0.00 0.00 41.96 38.89 1jc1 s TYR 151 CO 0.09 0.13 -0.21 0.42 -1.57 0.00 0.00 175.55 174.42 1jc1 s ILE 152 N 0.80 2.57 0.05 2.71 1.01 0.78 0.76 121.20 129.87 1jc1 s ILE 152 Ca 0.21 -1.14 -0.08 0.00 0.00 0.00 0.00 60.65 59.64 1jc1 s ILE 152 Cb -0.14 -2.02 -0.00 0.00 0.01 0.00 0.00 42.46 40.31 1jc1 s ILE 152 CO 0.07 0.43 0.17 0.00 0.00 0.00 0.00 174.94 175.62 1jc1 s MET 153 N -1.13 0.70 0.45 2.79 0.23 -0.94 0.37 119.30 121.76 1jc1 s MET 153 Ca 0.13 -0.72 -0.22 0.00 -1.03 0.00 0.00 55.69 53.85 1jc1 s MET 153 Cb -0.10 0.29 -0.09 0.00 -1.53 0.00 0.00 34.83 33.40 1jc1 s MET 153 CO 0.03 -0.20 1.05 0.00 -2.03 0.00 0.00 175.02 173.87 1jc1 s ALA 154 N -2.81 2.97 -0.54 3.16 0.00 -1.22 -0.74 121.76 122.57 1jc1 s ALA 154 Ca -0.03 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.64 1jc1 s ALA 154 Cb 0.00 -3.27 0.15 0.00 0.00 0.00 0.00 23.12 20.00 1jc1 s ALA 154 CO -0.05 -0.30 0.34 0.34 0.00 0.00 0.00 175.76 176.09 1jc1 s ASP 155 N -1.75 3.88 0.35 0.00 -1.08 0.35 -4.64 116.67 113.78 1jc1 s ASP 155 Ca 0.63 -3.17 0.03 0.00 -0.52 0.00 0.00 52.55 49.52 1jc1 s ASP 155 Cb -0.20 -1.28 0.64 0.00 -1.46 0.00 0.00 42.92 40.62 1jc1 s ASP 155 CO 0.24 -0.19 1.99 0.07 0.52 0.00 0.00 175.17 177.81 1jc1 h LYS 156 N 6.10 0.84 -0.09 4.34 5.09 -1.95 0.29 116.57 131.19 1jc1 h LYS 156 Ca 0.06 -0.05 -0.19 0.00 0.09 0.00 0.00 60.65 60.56 1jc1 h LYS 156 Cb 0.86 -0.19 -0.00 0.00 0.10 0.00 0.00 32.23 33.00 1jc1 h LYS 156 CO 0.59 0.56 -0.72 -0.56 -2.09 0.00 0.00 179.45 177.22 1jc1 h GLN 157 N 0.87 0.46 -0.00 0.07 -0.00 -1.94 -2.29 115.11 112.28 1jc1 h GLN 157 Ca 0.26 -0.37 0.00 0.00 -0.00 0.00 0.00 58.65 58.54 1jc1 h GLN 157 Cb -0.02 0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.54 1jc1 h GLN 157 CO -0.07 1.00 -0.14 1.63 -0.00 0.00 0.00 178.83 181.25 1jc1 n LYS 158 N -3.86 0.01 -2.75 0.06 4.01 -0.86 -4.86 118.16 109.90 1jc1 n LYS 158 Ca -0.05 -0.00 -0.16 0.00 -0.51 0.00 0.00 58.31 57.59 1jc1 n LYS 158 Cb 0.70 -1.50 0.02 0.00 -0.51 0.00 0.00 35.03 33.75 1jc1 n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1jc1 n ASN 159 N -1.49 -4.86 0.00 4.39 5.15 0.41 -4.76 115.26 114.09 1jc1 n ASN 159 Ca 0.07 -0.19 0.00 0.00 -0.60 0.00 0.00 54.58 53.86 1jc1 n ASN 159 Cb 0.34 -3.74 0.00 0.00 -0.53 0.00 0.00 39.78 35.84 1jc1 n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jc1 n GLY 160 N -1.28 2.63 3.39 8.20 0.00 0.73 -4.41 105.19 114.45 1jc1 n GLY 160 Ca -0.09 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 1jc1 n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1jc1 s ILE 161 N 0.64 1.33 -0.18 -0.61 -4.36 0.18 0.13 121.20 118.33 1jc1 s ILE 161 Ca 0.00 -2.07 0.01 0.00 -0.26 0.00 0.00 60.65 58.33 1jc1 s ILE 161 Cb 0.00 -2.47 0.02 0.00 1.25 0.00 0.00 42.46 41.26 1jc1 s ILE 161 CO 0.00 -0.26 -0.18 -0.75 0.24 0.00 0.00 174.94 173.99 1jc1 s LYS 162 N -3.81 3.04 -0.04 0.37 2.20 0.08 -2.44 119.74 119.15 1jc1 s LYS 162 Ca 0.30 -0.81 0.04 0.00 -0.36 0.00 0.00 55.97 55.14 1jc1 s LYS 162 Cb 0.05 -2.61 -0.03 0.00 -1.51 0.00 0.00 37.83 33.74 1jc1 s LYS 162 CO 0.11 -0.19 -0.14 0.08 -0.36 0.00 0.00 175.35 174.86 1jc1 s VAL 163 N 1.26 3.13 0.01 4.02 1.01 0.65 -2.22 120.40 128.26 1jc1 s VAL 163 Ca 0.04 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 1jc1 s VAL 163 Cb -0.13 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1jc1 s VAL 163 CO -0.11 0.55 0.06 0.54 0.00 0.00 0.00 175.10 176.14 1jc1 s ASN 164 N -0.87 0.13 0.00 3.32 4.22 0.23 -1.72 114.94 120.25 1jc1 s ASN 164 Ca 0.12 -0.37 0.00 0.00 -2.14 0.00 0.00 52.86 50.48 1jc1 s ASN 164 Cb -0.11 0.16 0.00 0.00 1.28 0.00 0.00 41.25 42.58 1jc1 s ASN 164 CO 0.02 -0.35 0.00 2.22 -2.04 0.00 0.00 177.10 176.94 1jc1 n PHE 165 N 1.45 0.00 -3.99 1.54 -1.74 -1.09 -0.76 117.46 112.86 1jc1 n PHE 165 Ca -0.23 0.00 -0.31 0.00 -0.56 0.00 0.00 57.45 56.35 1jc1 n PHE 165 Cb 0.56 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.40 1jc1 n PHE 165 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1jc1 s LYS 166 N -2.00 1.93 0.04 3.97 3.01 -1.26 0.24 119.74 125.67 1jc1 s LYS 166 Ca 0.00 -1.00 -0.24 0.00 -1.01 0.00 0.00 55.97 53.72 1jc1 s LYS 166 Cb 0.00 -2.58 -0.06 0.00 -1.01 0.00 0.00 37.83 34.19 1jc1 s LYS 166 CO 0.00 -0.52 0.75 0.42 0.51 0.00 0.00 175.35 176.51 1jc1 s ILE 167 N 1.33 4.74 -0.47 2.17 -1.09 0.40 -4.89 121.20 123.39 1jc1 s ILE 167 Ca -0.04 1.59 -0.11 0.00 -2.23 0.00 0.00 60.65 59.86 1jc1 s ILE 167 Cb -0.18 -4.09 0.11 0.00 -1.58 0.00 0.00 42.46 36.72 1jc1 s ILE 167 CO -0.07 0.38 0.36 -0.13 -1.23 0.00 0.00 174.94 174.25 1jc1 s ARG 168 N -0.11 2.60 -0.35 2.79 0.52 -1.26 -0.61 118.95 122.53 1jc1 s ARG 168 Ca 0.38 -1.69 -0.20 0.00 -0.52 0.00 0.00 55.73 53.69 1jc1 s ARG 168 Cb -0.20 -3.97 0.00 0.00 0.52 0.00 0.00 34.95 31.29 1jc1 s ARG 168 CO 0.22 -1.17 0.62 -1.01 0.02 0.00 0.00 175.30 173.98 1jc1 s HIS 169 N 1.42 3.16 0.16 -0.53 3.76 0.17 -4.62 115.29 118.81 1jc1 s HIS 169 Ca 0.05 0.35 -0.33 0.00 -0.15 0.00 0.00 55.06 54.98 1jc1 s HIS 169 Cb -0.26 -3.09 -0.13 0.00 1.11 0.00 0.00 32.58 30.22 1jc1 s HIS 169 CO 0.01 -0.59 1.69 0.09 -0.85 0.00 0.00 174.74 175.09 1jc1 n ASN 170 N 5.98 3.60 -4.72 1.40 5.03 -1.26 0.91 115.26 126.20 1jc1 n ASN 170 Ca -0.02 1.05 -0.33 0.00 0.87 0.00 0.00 54.58 56.16 1jc1 n ASN 170 Cb 0.49 -1.50 -0.08 0.00 -1.02 0.00 0.00 39.78 37.67 1jc1 n ASN 170 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1jc1 s ILE 171 N 1.51 4.38 0.33 2.41 1.09 0.46 -2.27 121.20 129.11 1jc1 s ILE 171 Ca 0.79 -0.52 0.13 0.00 -1.10 0.00 0.00 60.65 59.94 1jc1 s ILE 171 Cb -0.58 -2.97 0.33 0.00 -1.06 0.00 0.00 42.46 38.17 1jc1 s ILE 171 CO 0.37 0.37 1.67 -0.33 -0.10 0.00 0.00 174.94 176.91 1jc1 h GLU 172 N 4.25 0.32 -1.06 2.79 5.08 -1.46 0.27 114.58 124.76 1jc1 h GLU 172 Ca -0.49 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1jc1 h GLU 172 Cb 1.18 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1jc1 h GLU 172 CO 0.59 0.21 0.00 -0.40 -1.00 0.00 0.00 179.01 178.41 1jc1 n ASP 173 N -5.06 1.81 0.00 1.42 5.68 -1.26 -4.74 116.55 114.40 1jc1 n ASP 173 Ca 0.30 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 53.01 1jc1 n ASP 173 Cb 0.94 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1jc1 n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jc1 n GLY 174 N 0.43 0.44 3.99 6.12 0.00 0.93 -4.96 105.19 112.14 1jc1 n GLY 174 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1jc1 n GLY 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jc1 s SER 175 N -2.43 5.09 -0.10 1.61 1.04 -1.17 -4.82 113.70 112.92 1jc1 s SER 175 Ca 0.00 -0.28 0.04 0.00 0.48 0.00 0.00 55.95 56.19 1jc1 s SER 175 Cb 0.00 -0.47 -0.00 0.00 0.10 0.00 0.00 66.02 65.65 1jc1 s SER 175 CO 0.00 -1.28 -0.24 -0.69 0.98 0.00 0.00 173.24 172.01 1jc1 s VAL 176 N -2.77 2.08 -0.12 5.02 1.01 -1.26 0.17 120.40 124.53 1jc1 s VAL 176 Ca 0.60 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1jc1 s VAL 176 Cb -0.08 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1jc1 s VAL 176 CO 0.39 0.56 -0.03 -1.58 0.00 0.00 0.00 175.10 174.44 1jc1 s GLN 177 N 0.29 3.37 0.15 2.72 2.00 0.26 -4.87 119.66 123.57 1jc1 s GLN 177 Ca -0.17 -0.49 -0.26 0.00 -2.00 0.00 0.00 55.36 52.44 1jc1 s GLN 177 Cb -0.18 -2.85 -0.07 0.00 0.80 0.00 0.00 33.01 30.71 1jc1 s GLN 177 CO 0.08 0.43 0.81 -0.51 -0.50 0.00 0.00 175.29 175.60 1jc1 s LEU 178 N -0.14 4.56 -0.34 3.68 1.43 -1.26 0.41 118.68 127.02 1jc1 s LEU 178 Ca 0.03 1.65 0.01 0.00 -1.03 0.00 0.00 54.13 54.80 1jc1 s LEU 178 Cb -0.13 -3.34 0.11 0.00 0.03 0.00 0.00 46.19 42.86 1jc1 s LEU 178 CO 0.02 0.14 0.11 0.00 0.23 0.00 0.00 176.35 176.86 1jc1 s ALA 179 N -0.84 2.02 -0.29 4.21 0.00 0.22 -1.04 121.76 126.05 1jc1 s ALA 179 Ca 0.38 -2.08 -0.28 0.00 0.00 0.00 0.00 51.96 49.98 1jc1 s ALA 179 Cb -0.23 -1.77 0.01 0.00 0.00 0.00 0.00 23.12 21.13 1jc1 s ALA 179 CO 0.27 -1.75 1.01 0.34 0.00 0.00 0.00 175.76 175.63 1jc1 s ASP 180 N 1.18 6.94 -0.19 0.00 2.15 -0.25 -0.45 116.67 126.05 1jc1 s ASP 180 Ca 0.12 1.10 -0.09 0.00 0.43 0.00 0.00 52.55 54.10 1jc1 s ASP 180 Cb -0.19 -2.52 -0.05 0.00 -0.30 0.00 0.00 42.92 39.86 1jc1 s ASP 180 CO -0.16 -0.76 0.12 -1.00 -0.17 0.00 0.00 175.17 173.20 1jc1 s HIS 181 N 3.38 3.41 -0.13 -5.34 3.76 0.65 -1.42 115.29 119.60 1jc1 s HIS 181 Ca 0.43 0.32 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 1jc1 s HIS 181 Cb -0.13 -2.13 0.02 0.00 1.11 0.00 0.00 32.58 31.45 1jc1 s HIS 181 CO 0.12 0.31 -0.13 0.71 -0.85 0.00 0.00 174.74 174.90 1jc1 s TYR 182 N 0.24 1.98 0.07 1.40 2.02 -0.77 -2.68 117.35 119.62 1jc1 s TYR 182 Ca 0.08 -1.07 0.03 0.00 -0.37 0.00 0.00 57.07 55.75 1jc1 s TYR 182 Cb -0.11 -1.49 -0.03 0.00 -0.40 0.00 0.00 41.96 39.93 1jc1 s TYR 182 CO -0.01 -0.60 -0.10 -1.14 -1.57 0.00 0.00 175.55 172.12 1jc1 s GLN 183 N 1.45 0.70 -0.08 -0.62 0.74 -0.70 -0.20 119.66 120.95 1jc1 s GLN 183 Ca 0.03 -0.94 -0.09 0.00 0.05 0.00 0.00 55.36 54.41 1jc1 s GLN 183 Cb -0.13 -0.48 0.02 0.00 1.10 0.00 0.00 33.01 33.52 1jc1 s GLN 183 CO -0.09 0.09 0.24 -1.14 -0.55 0.00 0.00 175.29 173.84 1jc1 s GLN 184 N -2.07 0.33 -0.03 1.67 2.00 -0.62 -0.25 119.66 120.69 1jc1 s GLN 184 Ca -0.03 0.23 0.01 0.00 -2.00 0.00 0.00 55.36 53.58 1jc1 s GLN 184 Cb -0.07 0.15 0.01 0.00 0.80 0.00 0.00 33.01 33.91 1jc1 s GLN 184 CO 0.00 -0.05 -0.04 -0.80 -0.50 0.00 0.00 175.29 173.90 1jc1 s ASN 185 N -0.11 0.70 -0.01 6.67 -0.87 -1.02 -0.96 114.94 119.34 1jc1 s ASN 185 Ca -0.02 -0.09 -0.05 0.00 -1.57 0.00 0.00 52.86 51.12 1jc1 s ASN 185 Cb -0.02 -0.26 0.00 0.00 -0.02 0.00 0.00 41.25 40.95 1jc1 s ASN 185 CO 0.01 -0.02 0.11 0.42 -2.57 0.00 0.00 177.10 175.05 1jc1 s THR 186 N 0.54 0.06 0.26 1.60 -4.23 -0.79 -0.65 115.64 112.43 1jc1 s THR 186 Ca -0.06 -0.51 -0.30 0.00 -1.18 0.00 0.00 61.69 59.64 1jc1 s THR 186 Cb -0.10 -0.33 -0.10 0.00 1.34 0.00 0.00 72.50 73.31 1jc1 s THR 186 CO -0.00 -0.28 1.47 -2.16 -0.54 0.00 0.00 174.62 173.11 1jc1 s PRO 187 N -0.94 4.23 0.06 3.99 0.04 -1.26 0.82 135.00 141.93 1jc1 s PRO 187 Ca -0.10 2.37 0.13 0.00 0.04 0.00 0.00 61.00 63.43 1jc1 s PRO 187 Cb -0.06 -3.09 -0.17 0.00 0.04 0.00 0.00 34.50 31.23 1jc1 s PRO 187 CO 0.01 -0.47 0.93 0.82 0.04 0.00 0.00 177.00 178.33 1jc1 h ILE 188 N 3.49 0.96 -2.65 0.56 2.04 -1.24 -3.45 117.51 117.22 1jc1 h ILE 188 Ca -0.46 -2.64 -0.46 0.00 1.00 0.00 0.00 64.86 62.30 1jc1 h ILE 188 Cb 1.22 2.42 0.12 0.00 -0.74 0.00 0.00 36.82 39.83 1jc1 h ILE 188 CO 0.78 0.55 0.22 -0.83 0.00 0.00 0.00 178.15 178.87 1jc1 s GLY 189 N -4.86 1.77 -0.08 5.37 0.00 -1.26 -5.02 107.32 103.24 1jc1 s GLY 189 Ca -0.02 -1.65 0.12 0.00 0.00 0.00 0.00 44.72 43.17 1jc1 s GLY 189 CO 0.81 -0.97 1.22 1.22 0.00 0.00 0.00 173.10 175.38 1jc1 n ASP 190 N -3.21 2.83 -4.79 1.64 9.92 -1.26 -5.02 116.55 116.66 1jc1 n ASP 190 Ca 0.16 -2.57 -0.23 0.00 -0.53 0.00 0.00 54.79 51.62 1jc1 n ASP 190 Cb 0.60 -0.32 0.08 0.00 -0.64 0.00 0.00 41.12 40.85 1jc1 n ASP 190 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1jc1 s GLY 191 N -1.75 1.78 0.62 0.44 0.00 -1.26 -5.07 107.32 102.07 1jc1 s GLY 191 Ca 0.25 -1.59 -0.14 0.00 0.00 0.00 0.00 44.72 43.25 1jc1 s GLY 191 CO 0.07 -1.12 1.05 2.56 0.00 0.00 0.00 173.10 175.66 1jc1 s PRO 192 N -5.02 3.28 0.20 2.90 0.04 -1.26 -5.07 135.00 130.08 1jc1 s PRO 192 Ca 0.63 1.07 0.05 0.00 0.04 0.00 0.00 61.00 62.79 1jc1 s PRO 192 Cb -0.07 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 1jc1 s PRO 192 CO 0.42 -0.83 -0.06 0.14 0.04 0.00 0.00 177.00 176.71 1jc1 s VAL 193 N -2.70 1.26 -0.06 -0.36 -7.23 -1.26 -4.78 120.40 105.26 1jc1 s VAL 193 Ca 0.61 -2.08 -0.25 0.00 -1.81 0.00 0.00 61.98 58.45 1jc1 s VAL 193 Cb -0.14 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 1jc1 s VAL 193 CO 0.43 -0.51 0.76 -0.76 -0.31 0.00 0.00 175.10 174.71 1jc1 s LEU 194 N -3.28 4.31 -0.38 1.32 1.43 -1.26 -5.03 118.68 115.79 1jc1 s LEU 194 Ca 0.24 1.27 0.03 0.00 -1.03 0.00 0.00 54.13 54.64 1jc1 s LEU 194 Cb 0.03 -3.18 0.11 0.00 0.03 0.00 0.00 46.19 43.18 1jc1 s LEU 194 CO 0.06 -0.17 0.11 -0.76 0.23 0.00 0.00 176.35 175.82 1jc1 s LEU 195 N 0.96 4.73 0.73 1.79 1.43 -1.26 -3.80 118.68 123.26 1jc1 s LEU 195 Ca 0.40 -2.32 -0.15 0.00 -1.03 0.00 0.00 54.13 51.03 1jc1 s LEU 195 Cb -0.18 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.42 1jc1 s LEU 195 CO 0.19 -0.36 1.18 -2.16 0.23 0.00 0.00 176.35 175.43 1jc1 s PRO 196 N 0.68 2.21 1.01 1.29 0.04 -1.26 -4.92 135.00 134.05 1jc1 s PRO 196 Ca 0.12 1.67 -0.16 0.00 0.04 0.00 0.00 61.00 62.67 1jc1 s PRO 196 Cb -0.21 -1.85 0.20 0.00 0.04 0.00 0.00 34.50 32.69 1jc1 s PRO 196 CO -0.06 -1.76 1.21 -0.51 0.04 0.00 0.00 177.00 175.91 1jc1 s ASP 197 N -2.19 2.64 0.31 6.66 1.01 -1.26 -3.45 116.67 120.39 1jc1 s ASP 197 Ca 0.72 0.58 -0.29 0.00 0.71 0.00 0.00 52.55 54.27 1jc1 s ASP 197 Cb -0.27 -0.84 -0.11 0.00 1.01 0.00 0.00 42.92 42.71 1jc1 s ASP 197 CO 0.45 -3.06 1.53 0.20 0.21 0.00 0.00 175.17 174.51 1jc1 s ASN 198 N -4.36 6.42 0.00 0.27 -0.87 -1.26 -4.72 114.94 110.41 1jc1 s ASN 198 Ca 0.70 2.93 0.00 0.00 -1.57 0.00 0.00 52.86 54.92 1jc1 s ASN 198 Cb -0.09 -2.64 0.00 0.00 -0.02 0.00 0.00 41.25 38.50 1jc1 s ASN 198 CO 0.54 -0.86 0.00 0.00 -2.57 0.00 0.00 177.10 174.21 1jc1 n HIS 199 N 1.70 -0.74 -3.92 2.20 1.44 0.16 -4.61 115.22 111.43 1jc1 n HIS 199 Ca 0.06 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.67 1jc1 n HIS 199 Cb 0.38 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.43 1jc1 n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1jc1 s TYR 200 N -7.29 0.31 -0.21 -1.40 -0.85 -0.64 -0.16 117.35 107.11 1jc1 s TYR 200 Ca 0.00 -0.68 -0.08 0.00 -0.52 0.00 0.00 57.07 55.79 1jc1 s TYR 200 Cb 0.00 0.01 -0.04 0.00 0.38 0.00 0.00 41.96 42.31 1jc1 s TYR 200 CO 0.00 -0.74 0.09 -0.51 -1.52 0.00 0.00 175.55 172.87 1jc1 s LEU 201 N -2.95 3.87 -0.44 -3.49 1.43 0.12 -0.92 118.68 116.30 1jc1 s LEU 201 Ca 0.15 0.06 -0.23 0.00 -1.03 0.00 0.00 54.13 53.08 1jc1 s LEU 201 Cb 0.03 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1jc1 s LEU 201 CO -0.01 0.12 0.80 -0.55 0.23 0.00 0.00 176.35 176.94 1jc1 s SER 202 N 0.72 6.44 -0.05 2.29 0.15 0.52 -1.34 113.70 122.43 1jc1 s SER 202 Ca 0.05 -0.03 0.06 0.00 0.70 0.00 0.00 55.95 56.73 1jc1 s SER 202 Cb -0.13 -2.40 -0.02 0.00 -1.71 0.00 0.00 66.02 61.77 1jc1 s SER 202 CO 0.02 -0.92 -0.24 -0.89 1.20 0.00 0.00 173.24 172.41 1jc1 s THR 203 N 3.33 2.20 0.00 6.45 2.01 0.43 -1.10 115.64 128.97 1jc1 s THR 203 Ca 0.31 -1.03 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1jc1 s THR 203 Cb -0.12 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 1jc1 s THR 203 CO 0.23 0.57 -0.09 0.00 -0.69 0.00 0.00 174.62 174.64 1jc1 s SER 205 N -0.41 1.14 -0.07 0.00 0.01 -1.26 -0.11 113.70 113.01 1jc1 s SER 205 Ca 0.02 -0.70 -0.03 0.00 1.31 0.00 0.00 55.95 56.54 1jc1 s SER 205 Cb -0.04 0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.26 1jc1 s SER 205 CO -0.00 -0.25 0.15 0.00 0.41 0.00 0.00 173.24 173.55 1jc1 s ALA 206 N -2.02 -0.22 0.04 1.44 0.00 0.13 -4.61 121.76 116.52 1jc1 s ALA 206 Ca -0.01 0.63 0.02 0.00 0.00 0.00 0.00 51.96 52.60 1jc1 s ALA 206 Cb -0.06 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1jc1 s ALA 206 CO -0.00 -0.31 0.04 -0.51 0.00 0.00 0.00 175.76 174.98 1jc1 s LEU 207 N 1.59 3.66 0.00 0.00 1.43 -1.26 -1.50 118.68 122.59 1jc1 s LEU 207 Ca -0.05 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1jc1 s LEU 207 Cb -0.12 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 43.87 1jc1 s LEU 207 CO -0.06 0.22 0.23 -1.54 0.23 0.00 0.00 176.35 175.43 1jc1 n SER 208 N 0.87 -0.66 -4.17 2.29 3.41 0.24 -4.94 113.62 110.66 1jc1 n SER 208 Ca -0.11 -1.63 -0.18 0.00 -0.26 0.00 0.00 58.87 56.68 1jc1 n SER 208 Cb 0.52 1.15 -0.12 0.00 -0.26 0.00 0.00 64.21 65.51 1jc1 n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1jc1 s LYS 209 N -2.16 0.82 -0.51 4.33 -0.14 -1.26 -0.39 119.74 120.44 1jc1 s LYS 209 Ca 0.08 -0.95 -0.19 0.00 -1.36 0.00 0.00 55.97 53.55 1jc1 s LYS 209 Cb -0.01 -0.83 0.06 0.00 -1.68 0.00 0.00 37.83 35.36 1jc1 s LYS 209 CO 0.06 0.19 0.62 0.34 -0.76 0.00 0.00 175.35 175.80 1jc1 s ASP 210 N -1.73 6.22 0.58 2.83 2.15 -1.26 -4.95 116.67 120.51 1jc1 s ASP 210 Ca -0.02 -0.92 0.28 0.00 0.43 0.00 0.00 52.55 52.32 1jc1 s ASP 210 Cb -0.10 -2.29 1.62 0.00 -0.30 0.00 0.00 42.92 41.85 1jc1 s ASP 210 CO 0.02 -0.89 2.08 1.55 -0.17 0.00 0.00 175.17 177.76 1jc1 h PRO 211 N 8.99 0.00 -0.64 4.34 0.13 -2.04 0.77 132.00 143.55 1jc1 h PRO 211 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1jc1 h PRO 211 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1jc1 h PRO 211 CO 0.96 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.82 1jc1 n ASN 212 N -3.85 3.68 -4.31 1.44 5.03 -1.26 -4.86 115.26 111.13 1jc1 n ASN 212 Ca 0.02 -2.40 -0.35 0.00 0.87 0.00 0.00 54.58 52.72 1jc1 n ASN 212 Cb 0.36 -0.52 -0.14 0.00 -1.02 0.00 0.00 39.78 38.46 1jc1 n ASN 212 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1jc1 s GLU 213 N -1.88 3.37 0.10 3.52 2.56 0.27 -5.00 118.70 121.64 1jc1 s GLU 213 Ca 0.36 -0.63 -0.13 0.00 0.00 0.00 0.00 54.97 54.57 1jc1 s GLU 213 Cb 0.24 -3.03 -0.15 0.00 2.00 0.00 0.00 34.13 33.19 1jc1 s GLU 213 CO 0.15 -0.21 1.31 1.57 -0.56 0.00 0.00 175.26 177.53 1jc1 h LYS 214 N 8.12 0.78 -7.42 4.30 2.10 -1.89 -3.47 116.57 119.09 1jc1 h LYS 214 Ca -0.41 -0.61 -0.47 0.00 -2.00 0.00 0.00 60.65 57.17 1jc1 h LYS 214 Cb 1.16 0.12 0.14 0.00 -0.90 0.00 0.00 32.23 32.74 1jc1 h LYS 214 CO 0.60 1.22 0.27 1.03 -2.00 0.00 0.00 179.45 180.57 1jc1 s ARG 215 N -3.81 1.12 0.10 0.07 0.52 -1.26 -4.97 118.95 110.73 1jc1 s ARG 215 Ca -0.11 0.49 -0.31 0.00 -0.52 0.00 0.00 55.73 55.29 1jc1 s ARG 215 Cb 0.08 -1.82 -0.08 0.00 0.52 0.00 0.00 34.95 33.65 1jc1 s ARG 215 CO 0.89 -2.26 1.52 0.34 0.02 0.00 0.00 175.30 175.82 1jc1 s ASP 216 N -3.75 6.69 0.32 0.23 -1.08 -1.26 -4.91 116.67 112.90 1jc1 s ASP 216 Ca 0.64 2.44 -0.15 0.00 -0.52 0.00 0.00 52.55 54.95 1jc1 s ASP 216 Cb -0.16 -2.58 0.02 0.00 -1.46 0.00 0.00 42.92 38.74 1jc1 s ASP 216 CO 0.55 -0.78 0.65 -1.38 0.52 0.00 0.00 175.17 174.73 1jc1 s HIS 217 N 1.72 0.22 -0.12 -5.34 -3.43 -1.26 -0.76 115.29 106.32 1jc1 s HIS 217 Ca 0.69 -0.70 -0.06 0.00 -0.80 0.00 0.00 55.06 54.19 1jc1 s HIS 217 Cb -0.39 0.52 0.05 0.00 -1.43 0.00 0.00 32.58 31.33 1jc1 s HIS 217 CO 0.31 -1.28 0.28 1.41 -2.00 0.00 0.00 174.74 173.45 1jc1 s MET 218 N -3.26 0.24 -0.21 -0.38 1.75 0.16 -4.97 119.30 112.62 1jc1 s MET 218 Ca 0.18 0.59 -0.09 0.00 -1.25 0.00 0.00 55.69 55.13 1jc1 s MET 218 Cb -0.04 -0.10 -0.04 0.00 2.84 0.00 0.00 34.83 37.49 1jc1 s MET 218 CO 0.11 -0.17 0.10 0.08 -0.65 0.00 0.00 175.02 174.49 1jc1 s VAL 219 N 1.37 4.95 -0.04 10.11 1.01 0.48 0.14 120.40 138.43 1jc1 s VAL 219 Ca -0.09 0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1jc1 s VAL 219 Cb -0.10 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1jc1 s VAL 219 CO -0.09 0.41 -0.14 -0.22 0.00 0.00 0.00 175.10 175.06 1jc1 s LEU 220 N 0.74 1.85 -0.04 3.92 0.20 -0.18 -0.59 118.68 124.58 1jc1 s LEU 220 Ca 0.05 -0.29 0.03 0.00 0.69 0.00 0.00 54.13 54.61 1jc1 s LEU 220 Cb -0.13 -0.81 0.01 0.00 -0.43 0.00 0.00 46.19 44.83 1jc1 s LEU 220 CO 0.02 0.11 -0.11 -0.22 -0.29 0.00 0.00 176.35 175.86 1jc1 s LEU 221 N 0.14 1.74 -0.03 -0.68 2.96 -0.56 -0.97 118.68 121.28 1jc1 s LEU 221 Ca -0.04 -0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 53.57 1jc1 s LEU 221 Cb -0.11 -0.71 0.01 0.00 0.50 0.00 0.00 46.19 45.88 1jc1 s LEU 221 CO 0.02 0.07 0.12 -0.70 -1.32 0.00 0.00 176.35 174.53 1jc1 s GLU 222 N 0.34 0.22 -0.05 1.98 2.12 -0.95 0.18 118.70 122.54 1jc1 s GLU 222 Ca -0.07 0.02 0.04 0.00 0.36 0.00 0.00 54.97 55.32 1jc1 s GLU 222 Cb -0.12 0.10 -0.00 0.00 0.26 0.00 0.00 34.13 34.37 1jc1 s GLU 222 CO 0.02 -0.04 -0.19 -0.06 -0.54 0.00 0.00 175.26 174.45 1jc1 s PHE 223 N -0.31 1.89 -0.04 5.30 0.08 0.84 -1.97 117.98 123.78 1jc1 s PHE 223 Ca -0.04 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.42 1jc1 s PHE 223 Cb -0.03 -1.28 0.03 0.00 -0.57 0.00 0.00 43.02 41.17 1jc1 s PHE 223 CO 0.00 -0.22 -0.00 0.08 -0.10 0.00 0.00 175.22 174.99 1jc1 s VAL 224 N 0.12 0.23 -0.00 -0.44 1.01 -0.04 -1.05 120.40 120.23 1jc1 s VAL 224 Ca -0.07 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1jc1 s VAL 224 Cb -0.13 -0.33 -0.00 0.00 0.00 0.00 0.00 36.38 35.91 1jc1 s VAL 224 CO 0.03 0.17 -0.04 -0.89 0.00 0.00 0.00 175.10 174.38 1jc1 s THR 225 N 1.21 0.31 0.30 3.92 2.01 -0.26 -1.14 115.64 121.99 1jc1 s THR 225 Ca -0.07 -0.17 -0.18 0.00 0.31 0.00 0.00 61.69 61.59 1jc1 s THR 225 Cb -0.13 -0.26 -0.09 0.00 0.01 0.00 0.00 72.50 72.02 1jc1 s THR 225 CO -0.02 0.09 0.77 0.00 -0.69 0.00 0.00 174.62 174.76 1jc1 s ALA 226 N -0.09 3.32 0.37 7.40 0.00 -0.16 0.20 121.76 132.80 1jc1 s ALA 226 Ca 0.01 0.15 -0.15 0.00 0.00 0.00 0.00 51.96 51.97 1jc1 s ALA 226 Cb -0.02 -2.85 0.05 0.00 0.00 0.00 0.00 23.12 20.30 1jc1 s ALA 226 CO -0.00 0.30 0.77 0.00 0.00 0.00 0.00 175.76 176.83 1jc1 s ALA 227 N -1.82 -0.71 0.00 0.00 0.00 -0.10 -4.61 121.76 114.52 1jc1 s ALA 227 Ca 0.51 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1jc1 s ALA 227 Cb -0.13 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.71 1jc1 s ALA 227 CO 0.19 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.37 1jc1 n GLY 228 N -0.53 1.10 0.00 0.00 0.00 -1.26 -1.63 105.19 102.88 1jc1 n GLY 228 Ca -0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1jc1 n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71