#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jnl s ILE 2 N 0.00 4.92 -0.23 1.69 1.01 -1.26 -4.90 121.20 122.43 1jnl s ILE 2 Ca 0.00 0.18 -0.21 0.00 0.00 0.00 0.00 60.65 60.61 1jnl s ILE 2 Cb 0.00 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 1jnl s ILE 2 CO 0.00 -0.43 0.67 -0.69 0.00 0.00 0.00 174.94 174.50 1jnl s VAL 3 N 2.59 4.96 -0.04 2.92 1.01 -1.26 -4.69 120.40 125.89 1jnl s VAL 3 Ca 0.20 1.24 -0.28 0.00 0.00 0.00 0.00 61.98 63.14 1jnl s VAL 3 Cb -0.15 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1jnl s VAL 3 CO 0.16 0.03 0.92 -0.04 0.00 0.00 0.00 175.10 176.17 1jnl s MET 4 N 2.40 4.49 -0.31 2.72 1.00 -1.26 -1.00 119.30 127.34 1jnl s MET 4 Ca 0.29 1.28 -0.00 0.00 0.00 0.00 0.00 55.69 57.25 1jnl s MET 4 Cb -0.16 -3.48 0.06 0.00 0.00 0.00 0.00 34.83 31.26 1jnl s MET 4 CO 0.09 -0.09 0.00 0.99 0.00 0.00 0.00 175.02 176.01 1jnl s THR 5 N 1.21 2.78 0.02 2.05 2.01 -0.32 -4.54 115.64 118.85 1jnl s THR 5 Ca 0.47 -1.61 -0.01 0.00 0.31 0.00 0.00 61.69 60.86 1jnl s THR 5 Cb -0.20 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1jnl s THR 5 CO 0.23 -0.20 0.15 -1.58 -0.69 0.00 0.00 174.62 172.53 1jnl s GLN 6 N 1.17 3.28 0.00 4.92 0.74 -1.26 -0.33 119.66 128.18 1jnl s GLN 6 Ca -0.03 -0.44 -0.19 0.00 0.05 0.00 0.00 55.36 54.75 1jnl s GLN 6 Cb -0.20 -2.98 0.04 0.00 1.10 0.00 0.00 33.01 30.97 1jnl s GLN 6 CO -0.03 0.64 0.42 0.95 -0.55 0.00 0.00 175.29 176.72 1jnl s THR 7 N -1.35 0.05 0.52 -0.34 -4.23 -0.02 -4.63 115.64 105.62 1jnl s THR 7 Ca 0.29 -0.38 -0.05 0.00 -1.18 0.00 0.00 61.69 60.37 1jnl s THR 7 Cb -0.13 -0.83 -0.02 0.00 1.34 0.00 0.00 72.50 72.86 1jnl s THR 7 CO 0.21 -0.21 0.82 -2.16 -0.54 0.00 0.00 174.62 172.74 1jnl s PRO 8 N -1.80 3.33 0.04 3.99 0.04 -1.26 -0.89 135.00 138.45 1jnl s PRO 8 Ca -0.10 0.12 -0.25 0.00 0.04 0.00 0.00 61.00 60.81 1jnl s PRO 8 Cb -0.02 -2.35 -0.17 0.00 0.04 0.00 0.00 34.50 32.00 1jnl s PRO 8 CO 0.03 -0.37 1.51 0.00 0.04 0.00 0.00 177.00 178.20 1jnl h ALA 9 N 0.10 -0.12 -4.25 8.56 0.00 -1.82 -3.41 119.26 118.32 1jnl h ALA 9 Ca -0.46 -0.12 -0.58 0.00 0.00 0.00 0.00 54.91 53.75 1jnl h ALA 9 Cb 1.22 0.05 -0.28 0.00 0.00 0.00 0.00 17.79 18.78 1jnl h ALA 9 CO 0.61 -0.46 -0.84 -1.54 0.00 0.00 0.00 179.25 177.01 1jnl s SER 10 N -5.28 2.35 -0.03 0.00 1.04 -1.26 -0.84 113.70 109.68 1jnl s SER 10 Ca -0.14 -0.42 -0.03 0.00 0.48 0.00 0.00 55.95 55.84 1jnl s SER 10 Cb 0.04 -0.23 0.01 0.00 0.10 0.00 0.00 66.02 65.94 1jnl s SER 10 CO 0.65 0.21 0.08 -0.22 0.98 0.00 0.00 173.24 174.93 1jnl s LEU 11 N -0.75 1.59 -0.09 2.42 2.96 0.12 -4.93 118.68 120.00 1jnl s LEU 11 Ca 0.07 0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 1jnl s LEU 11 Cb -0.08 0.26 0.02 0.00 0.50 0.00 0.00 46.19 46.89 1jnl s LEU 11 CO 0.00 -0.04 -0.09 -0.44 -1.32 0.00 0.00 176.35 174.46 1jnl s SER 12 N 0.18 1.87 0.11 3.68 0.01 -1.26 0.46 113.70 118.75 1jnl s SER 12 Ca -0.01 -0.28 -0.11 0.00 1.31 0.00 0.00 55.95 56.86 1jnl s SER 12 Cb -0.02 -0.79 0.01 0.00 0.21 0.00 0.00 66.02 65.43 1jnl s SER 12 CO -0.01 -0.05 0.27 0.00 0.41 0.00 0.00 173.24 173.86 1jnl s ALA 13 N 1.20 -0.45 0.47 1.44 0.00 -1.17 -4.83 121.76 118.41 1jnl s ALA 13 Ca -0.05 -0.45 0.08 0.00 0.00 0.00 0.00 51.96 51.55 1jnl s ALA 13 Cb -0.14 0.58 0.02 0.00 0.00 0.00 0.00 23.12 23.59 1jnl s ALA 13 CO -0.02 -0.57 0.58 -1.54 0.00 0.00 0.00 175.76 174.21 1jnl s SER 14 N -2.85 5.33 0.33 0.00 1.04 -1.26 0.23 113.70 116.53 1jnl s SER 14 Ca 0.05 -0.64 -0.29 0.00 0.48 0.00 0.00 55.95 55.55 1jnl s SER 14 Cb 0.04 -0.34 -0.11 0.00 0.10 0.00 0.00 66.02 65.71 1jnl s SER 14 CO -0.11 -0.90 1.47 -0.69 0.98 0.00 0.00 173.24 173.99 1jnl s VAL 15 N -2.48 2.25 0.00 5.02 1.01 -1.26 -2.42 120.40 122.53 1jnl s VAL 15 Ca 0.54 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1jnl s VAL 15 Cb -0.07 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1jnl s VAL 15 CO 0.33 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1jnl n GLY 16 N 1.11 3.22 3.82 4.51 0.00 0.02 -4.87 105.19 112.99 1jnl n GLY 16 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1jnl n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jnl s GLU 17 N -0.50 2.63 -0.15 1.61 2.02 -1.02 -4.02 118.70 119.28 1jnl s GLU 17 Ca 0.00 0.77 -0.03 0.00 0.02 0.00 0.00 54.97 55.72 1jnl s GLU 17 Cb 0.00 -1.97 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 1jnl s GLU 17 CO 0.00 -1.27 -0.03 0.99 0.02 0.00 0.00 175.26 174.97 1jnl s THR 18 N -3.13 3.92 0.29 3.63 2.01 -1.26 -0.24 115.64 120.87 1jnl s THR 18 Ca 0.59 -0.35 0.06 0.00 0.31 0.00 0.00 61.69 62.30 1jnl s THR 18 Cb -0.14 -2.71 -0.06 0.00 0.01 0.00 0.00 72.50 69.60 1jnl s THR 18 CO 0.54 0.50 -0.03 0.68 -0.69 0.00 0.00 174.62 175.62 1jnl s VAL 19 N 0.23 1.56 -0.10 3.82 -7.23 0.68 -4.96 120.40 114.40 1jnl s VAL 19 Ca -0.02 -2.09 -0.05 0.00 -1.81 0.00 0.00 61.98 58.01 1jnl s VAL 19 Cb -0.14 -2.53 0.05 0.00 0.56 0.00 0.00 36.38 34.31 1jnl s VAL 19 CO 0.03 -0.23 0.23 -0.89 -0.31 0.00 0.00 175.10 173.92 1jnl s THR 20 N -3.06 -0.05 -0.14 5.32 2.01 -1.26 -0.08 115.64 118.37 1jnl s THR 20 Ca 0.31 0.16 -0.00 0.00 0.31 0.00 0.00 61.69 62.46 1jnl s THR 20 Cb 0.05 -0.36 -0.01 0.00 0.01 0.00 0.00 72.50 72.19 1jnl s THR 20 CO 0.13 0.06 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.36 1jnl s ILE 21 N 1.29 2.96 0.01 1.82 1.01 0.14 -4.78 121.20 123.65 1jnl s ILE 21 Ca -0.09 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 59.91 1jnl s ILE 21 Cb -0.11 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 1jnl s ILE 21 CO -0.08 0.51 -0.09 0.42 0.00 0.00 0.00 174.94 175.71 1jnl s THR 22 N 0.56 3.50 -0.09 2.92 -4.23 -0.07 0.10 115.64 118.33 1jnl s THR 22 Ca -0.08 -0.84 0.02 0.00 -1.18 0.00 0.00 61.69 59.61 1jnl s THR 22 Cb -0.16 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.19 1jnl s THR 22 CO 0.04 0.39 -0.12 0.00 -0.54 0.00 0.00 174.62 174.38 1jnl s ARG 24 N 0.95 2.40 0.26 0.00 3.52 0.55 -1.61 118.95 125.02 1jnl s ARG 24 Ca -0.09 -1.26 -0.30 0.00 -0.13 0.00 0.00 55.73 53.96 1jnl s ARG 24 Cb -0.15 -2.95 -0.09 0.00 -1.56 0.00 0.00 34.95 30.20 1jnl s ARG 24 CO 0.00 -0.54 1.09 0.00 -0.81 0.00 0.00 175.30 175.04 1jnl s ALA 25 N 1.17 3.40 0.17 6.12 0.00 -0.26 -1.17 121.76 131.20 1jnl s ALA 25 Ca -0.06 0.87 -0.14 0.00 0.00 0.00 0.00 51.96 52.63 1jnl s ALA 25 Cb -0.19 -3.33 0.07 0.00 0.00 0.00 0.00 23.12 19.68 1jnl s ALA 25 CO -0.05 -0.15 1.83 0.66 0.00 0.00 0.00 175.76 178.05 1jnl h SER 26 N 4.05 0.54 -1.82 0.00 4.64 -1.38 -3.44 113.55 116.15 1jnl h SER 26 Ca -0.46 -0.01 -0.57 0.00 -0.47 0.00 0.00 61.79 60.28 1jnl h SER 26 Cb 1.21 -0.13 -0.10 0.00 -0.31 0.00 0.00 62.40 63.08 1jnl h SER 26 CO 0.68 0.39 -0.57 -0.83 -0.87 0.00 0.00 176.83 175.63 1jnl s GLY 27 N -2.69 2.13 0.35 -0.77 0.00 -1.26 -4.99 107.32 100.08 1jnl s GLY 27 Ca -0.13 -1.98 -0.29 0.00 0.00 0.00 0.00 44.72 42.32 1jnl s GLY 27 CO 0.74 -1.88 1.38 0.21 0.00 0.00 0.00 173.10 173.55 1jnl s ASN 28 N -3.79 6.60 0.00 1.64 3.84 -1.26 -4.75 114.94 117.21 1jnl s ASN 28 Ca 0.37 2.83 0.00 0.00 0.21 0.00 0.00 52.86 56.27 1jnl s ASN 28 Cb 0.01 -2.66 0.00 0.00 -0.55 0.00 0.00 41.25 38.05 1jnl s ASN 28 CO 0.21 -0.67 0.94 2.30 -2.79 0.00 0.00 177.10 177.08 1jnl n ILE 29 N 0.74 0.87 -4.20 -5.21 -5.35 -1.19 -5.03 119.36 100.00 1jnl n ILE 29 Ca 0.01 -0.88 -0.35 0.00 -0.27 0.00 0.00 62.75 61.26 1jnl n ILE 29 Cb 0.41 0.56 -0.06 0.00 -1.74 0.00 0.00 39.64 38.81 1jnl n ILE 29 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1jnl n TYR 30 N -0.44 -1.24 -1.28 4.28 4.01 -1.26 -0.87 117.16 120.37 1jnl n TYR 30 Ca 0.00 0.42 -0.10 0.00 -0.16 0.00 0.00 57.90 58.07 1jnl n TYR 30 Cb 0.28 -2.67 -0.04 0.00 -0.31 0.00 0.00 39.34 36.60 1jnl n TYR 30 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1jnl n ASN 31 N -2.53 -5.18 -4.47 7.72 4.13 -1.26 -4.92 115.26 108.76 1jnl n ASN 31 Ca -0.25 0.24 -0.44 0.00 1.68 0.00 0.00 54.58 55.81 1jnl n ASN 31 Cb 0.63 -3.52 -0.00 0.00 -1.54 0.00 0.00 39.78 35.35 1jnl n ASN 31 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1jnl s TYR 32 N -2.01 3.38 0.06 3.10 2.02 -0.05 -2.46 117.35 121.39 1jnl s TYR 32 Ca 0.00 -1.96 -0.06 0.00 -0.37 0.00 0.00 57.07 54.68 1jnl s TYR 32 Cb 0.00 -4.34 -0.01 0.00 -0.40 0.00 0.00 41.96 37.20 1jnl s TYR 32 CO 0.00 -1.45 0.12 -1.17 -1.57 0.00 0.00 175.55 171.48 1jnl s LEU 33 N 1.99 1.73 -0.03 -1.29 2.96 -1.26 -2.73 118.68 120.05 1jnl s LEU 33 Ca 0.42 -0.67 -0.19 0.00 -0.22 0.00 0.00 54.13 53.47 1jnl s LEU 33 Cb -0.03 0.75 0.04 0.00 0.50 0.00 0.00 46.19 47.45 1jnl s LEU 33 CO -0.01 -0.63 0.42 0.00 -1.32 0.00 0.00 176.35 174.80 1jnl s ALA 34 N -3.45 -1.07 -0.01 5.97 0.00 -0.01 -1.44 121.76 121.74 1jnl s ALA 34 Ca 0.02 0.66 0.06 0.00 0.00 0.00 0.00 51.96 52.69 1jnl s ALA 34 Cb 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 1jnl s ALA 34 CO -0.09 -0.29 -0.18 -1.58 0.00 0.00 0.00 175.76 173.63 1jnl s TRP 35 N -1.19 2.57 0.25 0.00 0.52 -0.02 0.50 118.94 121.56 1jnl s TRP 35 Ca -0.12 -0.25 0.05 0.00 0.02 0.00 0.00 56.10 55.80 1jnl s TRP 35 Cb -0.04 -1.54 -0.05 0.00 -1.15 0.00 0.00 33.47 30.69 1jnl s TRP 35 CO 0.06 0.16 -0.04 0.71 0.02 0.00 0.00 176.95 177.85 1jnl s TYR 36 N -0.77 1.75 -0.08 -1.98 2.02 0.77 0.24 117.35 119.29 1jnl s TYR 36 Ca 0.12 -0.79 -0.01 0.00 -0.37 0.00 0.00 57.07 56.03 1jnl s TYR 36 Cb -0.10 -0.99 0.03 0.00 -0.40 0.00 0.00 41.96 40.49 1jnl s TYR 36 CO 0.02 0.15 -0.03 -1.14 -1.57 0.00 0.00 175.55 172.97 1jnl s GLN 37 N -3.78 0.95 -0.25 -0.62 0.74 -0.52 -1.92 119.66 114.27 1jnl s GLN 37 Ca 0.28 -0.04 -0.04 0.00 0.05 0.00 0.00 55.36 55.61 1jnl s GLN 37 Cb 0.04 -1.17 0.00 0.00 1.10 0.00 0.00 33.01 32.98 1jnl s GLN 37 CO 0.10 -0.26 -0.01 -1.14 -0.55 0.00 0.00 175.29 173.42 1jnl s GLN 38 N 1.76 3.21 0.11 1.67 0.74 0.39 -0.87 119.66 126.66 1jnl s GLN 38 Ca 0.03 -0.75 -0.13 0.00 0.05 0.00 0.00 55.36 54.56 1jnl s GLN 38 Cb -0.13 -3.11 -0.06 0.00 1.10 0.00 0.00 33.01 30.81 1jnl s GLN 38 CO -0.06 -0.30 0.48 0.21 -0.55 0.00 0.00 175.29 175.07 1jnl s LYS 39 N 1.46 3.90 -0.35 1.67 2.20 -1.26 -2.01 119.74 125.35 1jnl s LYS 39 Ca 0.04 0.37 -0.42 0.00 -0.36 0.00 0.00 55.97 55.60 1jnl s LYS 39 Cb -0.16 -2.99 -0.16 0.00 -1.51 0.00 0.00 37.83 33.01 1jnl s LYS 39 CO -0.02 0.53 1.77 1.04 -0.36 0.00 0.00 175.35 178.31 1jnl n GLN 40 N 0.95 0.83 -0.90 4.03 3.00 -1.26 -1.20 117.38 122.83 1jnl n GLN 40 Ca -0.07 0.30 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1jnl n GLN 40 Cb 0.52 -1.96 0.00 0.00 0.00 0.00 0.00 30.24 28.80 1jnl n GLN 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jnl n GLY 41 N 4.52 0.63 3.44 1.08 0.00 -1.26 -5.04 105.19 108.55 1jnl n GLY 41 Ca 0.30 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.10 1jnl n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jnl s LYS 42 N -0.10 1.57 0.39 1.61 1.02 -0.34 -5.13 119.74 118.77 1jnl s LYS 42 Ca 0.00 -1.79 -0.25 0.00 0.02 0.00 0.00 55.97 53.95 1jnl s LYS 42 Cb 0.00 -1.24 -0.09 0.00 -0.52 0.00 0.00 37.83 35.98 1jnl s LYS 42 CO 0.00 0.07 1.10 -1.12 -0.92 0.00 0.00 175.35 174.48 1jnl s SER 43 N -3.46 6.69 0.27 2.83 0.01 -1.26 -4.52 113.70 114.26 1jnl s SER 43 Ca 0.29 2.17 -0.30 0.00 1.31 0.00 0.00 55.95 59.42 1jnl s SER 43 Cb 0.03 -2.60 -0.13 0.00 0.21 0.00 0.00 66.02 63.53 1jnl s SER 43 CO 0.12 -0.55 1.41 -2.65 0.41 0.00 0.00 173.24 171.99 1jnl n PRO 44 N 0.06 2.15 -4.02 12.44 -0.02 -1.26 -4.68 135.00 139.66 1jnl n PRO 44 Ca 0.04 0.76 -0.36 0.00 -2.02 0.00 0.00 63.50 61.93 1jnl n PRO 44 Cb 0.48 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 1jnl n PRO 44 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1jnl s GLN 45 N -0.73 3.30 0.10 -0.52 -0.21 -0.05 -4.91 119.66 116.64 1jnl s GLN 45 Ca 0.65 -0.24 -0.21 0.00 0.02 0.00 0.00 55.36 55.58 1jnl s GLN 45 Cb -0.61 -3.06 -0.07 0.00 1.00 0.00 0.00 33.01 30.27 1jnl s GLN 45 CO 0.52 0.74 0.63 -1.17 -2.12 0.00 0.00 175.29 173.90 1jnl s LEU 46 N -1.10 4.55 -0.13 2.90 2.96 -1.26 -1.44 118.68 125.17 1jnl s LEU 46 Ca 0.16 1.38 -0.05 0.00 -0.22 0.00 0.00 54.13 55.40 1jnl s LEU 46 Cb -0.12 -3.02 -0.06 0.00 0.50 0.00 0.00 46.19 43.49 1jnl s LEU 46 CO 0.05 0.26 -0.15 0.18 -1.32 0.00 0.00 176.35 175.36 1jnl n LEU 47 N 1.67 1.35 -3.74 -0.68 4.77 0.14 -4.86 117.00 115.65 1jnl n LEU 47 Ca -0.09 0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1jnl n LEU 47 Cb 0.50 -0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 41.11 1jnl n LEU 47 CO 0.43 0.36 0.06 0.54 -1.33 0.00 0.00 177.39 177.44 1jnl s VAL 48 N -2.24 0.02 0.46 4.08 0.11 -1.22 -0.35 120.40 121.26 1jnl s VAL 48 Ca -0.18 -0.13 0.05 0.00 -2.93 0.00 0.00 61.98 58.79 1jnl s VAL 48 Cb 0.06 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1jnl s VAL 48 CO 0.24 -0.07 0.07 -0.72 -3.33 0.00 0.00 175.10 171.29 1jnl s TYR 49 N -0.25 2.22 -1.74 1.54 1.13 -0.64 -0.84 117.35 118.76 1jnl s TYR 49 Ca -0.04 -0.77 -0.17 0.00 -1.41 0.00 0.00 57.07 54.68 1jnl s TYR 49 Cb -0.03 -1.76 0.16 0.00 -1.10 0.00 0.00 41.96 39.22 1jnl s TYR 49 CO 0.02 0.24 0.54 0.09 -2.51 0.00 0.00 175.55 173.93 1jnl n ASN 50 N -1.19 -1.66 0.00 -0.18 4.13 -0.52 -2.22 115.26 113.62 1jnl n ASN 50 Ca -0.09 -1.17 0.00 0.00 1.68 0.00 0.00 54.58 55.00 1jnl n ASN 50 Cb 0.66 -2.03 0.00 0.00 -1.54 0.00 0.00 39.78 36.87 1jnl n ASN 50 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jnl n ALA 51 N -4.27 0.00 0.27 5.41 0.00 -0.94 -4.13 120.51 116.85 1jnl n ALA 51 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1jnl n ALA 51 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 1jnl n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jnl n LYS 52 N 0.00 1.76 -2.56 0.00 5.02 -1.21 -3.72 118.16 117.45 1jnl n LYS 52 Ca 0.00 -0.06 -0.43 0.00 -2.02 0.00 0.00 58.31 55.81 1jnl n LYS 52 Cb 0.00 -1.16 -0.02 0.00 -0.02 0.00 0.00 35.03 33.82 1jnl n LYS 52 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1jnl s THR 53 N -2.46 4.50 0.23 -0.18 2.01 -0.94 -4.57 115.64 114.23 1jnl s THR 53 Ca -0.00 1.81 -0.30 0.00 0.31 0.00 0.00 61.69 63.51 1jnl s THR 53 Cb 0.08 -4.19 -0.09 0.00 0.01 0.00 0.00 72.50 68.32 1jnl s THR 53 CO 0.48 -0.18 0.96 -0.22 -0.69 0.00 0.00 174.62 174.98 1jnl s LEU 54 N 3.36 4.62 0.57 4.42 2.96 -1.26 -1.62 118.68 131.73 1jnl s LEU 54 Ca 0.49 1.96 -0.17 0.00 -0.22 0.00 0.00 54.13 56.19 1jnl s LEU 54 Cb -0.18 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.86 1jnl s LEU 54 CO 0.10 0.10 1.08 -0.69 -1.32 0.00 0.00 176.35 175.61 1jnl s VAL 55 N -1.01 3.58 0.43 1.68 1.01 0.53 -4.93 120.40 121.68 1jnl s VAL 55 Ca 0.42 0.85 -0.25 0.00 0.00 0.00 0.00 61.98 63.00 1jnl s VAL 55 Cb -0.26 -3.33 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 1jnl s VAL 55 CO 0.33 -0.35 1.22 -1.81 0.00 0.00 0.00 175.10 174.49 1jnl s ASP 56 N -2.36 6.28 0.00 3.32 1.11 -1.26 -2.95 116.67 120.81 1jnl s ASP 56 Ca 0.67 2.46 0.00 0.00 0.18 0.00 0.00 52.55 55.86 1jnl s ASP 56 Cb -0.18 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.19 1jnl s ASP 56 CO 0.32 -0.85 0.00 0.61 1.18 0.00 0.00 175.17 176.42 1jnl n GLY 57 N 0.61 0.81 3.51 0.21 0.00 -1.26 -5.02 105.19 104.04 1jnl n GLY 57 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1jnl n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jnl s VAL 58 N -3.14 3.98 0.46 1.61 1.01 -1.15 -5.09 120.40 118.07 1jnl s VAL 58 Ca 0.00 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 1jnl s VAL 58 Cb 0.00 -2.75 -0.12 0.00 0.00 0.00 0.00 36.38 33.51 1jnl s VAL 58 CO 0.00 0.49 0.43 -0.81 0.00 0.00 0.00 175.10 175.21 1jnl n PRO 59 N 3.57 0.45 0.15 2.72 -0.04 -1.26 -4.88 135.00 135.71 1jnl n PRO 59 Ca -0.17 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 1jnl n PRO 59 Cb 0.52 -1.46 0.54 0.00 -0.04 0.00 0.00 33.50 33.06 1jnl n PRO 59 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1jnl h LEU 60 N 0.54 0.00 -1.96 1.53 -0.00 -1.98 -2.57 115.31 110.86 1jnl h LEU 60 Ca -0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.46 1jnl h LEU 60 Cb 1.41 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.07 1jnl h LEU 60 CO 0.49 0.00 -0.03 0.08 -0.00 0.00 0.00 178.44 178.98 1jnl h ARG 61 N 0.00 0.00 -5.39 1.13 0.11 -1.90 -3.39 114.38 104.94 1jnl h ARG 61 Ca 0.00 0.00 -0.65 0.00 0.10 0.00 0.00 59.98 59.43 1jnl h ARG 61 Cb 0.30 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 31.23 1jnl h ARG 61 CO 0.00 0.03 0.31 -0.06 0.10 0.00 0.00 179.97 180.35 1jnl s PHE 62 N -3.88 2.91 -0.13 4.08 0.08 -0.97 -1.46 117.98 118.61 1jnl s PHE 62 Ca -0.01 -0.31 -0.02 0.00 0.12 0.00 0.00 56.93 56.71 1jnl s PHE 62 Cb 0.11 -3.84 -0.03 0.00 -0.57 0.00 0.00 43.02 38.69 1jnl s PHE 62 CO 0.51 -1.22 -0.06 0.45 -0.10 0.00 0.00 175.22 174.81 1jnl s SER 63 N 2.84 4.67 0.05 1.36 0.15 0.44 -4.94 113.70 118.27 1jnl s SER 63 Ca 0.22 -0.12 0.06 0.00 0.70 0.00 0.00 55.95 56.82 1jnl s SER 63 Cb -0.16 -1.60 -0.03 0.00 -1.71 0.00 0.00 66.02 62.52 1jnl s SER 63 CO 0.15 0.22 -0.14 -0.83 1.20 0.00 0.00 173.24 173.85 1jnl s GLY 64 N 0.02 1.67 0.09 9.45 0.00 -1.26 0.07 107.32 117.36 1jnl s GLY 64 Ca -0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 44.72 43.52 1jnl s GLY 64 CO 0.03 -1.08 0.15 -1.14 0.00 0.00 0.00 173.10 171.05 1jnl n SER 65 N 1.31 -0.42 0.00 1.64 3.41 -0.91 -4.47 113.62 114.19 1jnl n SER 65 Ca -0.15 -1.41 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 1jnl n SER 65 Cb 0.52 0.73 0.00 0.00 -0.26 0.00 0.00 64.21 65.21 1jnl n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jnl n GLY 66 N -0.13 3.39 3.45 5.00 0.00 -1.26 -1.74 105.19 113.90 1jnl n GLY 66 Ca -0.01 -1.90 -0.15 0.00 0.00 0.00 0.00 46.02 43.96 1jnl n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jnl s SER 67 N 0.00 -0.55 1.18 1.61 1.04 0.70 -4.92 113.70 112.76 1jnl s SER 67 Ca 0.00 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.31 1jnl s SER 67 Cb 0.00 0.88 0.00 0.00 0.10 0.00 0.00 66.02 67.00 1jnl s SER 67 CO 0.00 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1jnl n GLY 68 N 2.09 1.60 0.00 7.32 0.00 -1.26 -2.58 105.19 112.36 1jnl n GLY 68 Ca -0.16 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 45.81 1jnl n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jnl n THR 69 N 0.00 0.00 -3.79 2.61 -2.24 -1.26 -3.17 114.28 106.44 1jnl n THR 69 Ca 0.00 -0.26 -0.35 0.00 -2.27 0.00 0.00 64.05 61.17 1jnl n THR 69 Cb 0.00 0.52 -0.09 0.00 -2.10 0.00 0.00 70.33 68.66 1jnl n THR 69 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1jnl s GLN 70 N -2.65 4.08 0.02 -0.78 -1.52 -1.06 -1.10 119.66 116.65 1jnl s GLN 70 Ca -0.01 -0.28 -0.04 0.00 -1.95 0.00 0.00 55.36 53.09 1jnl s GLN 70 Cb 0.09 -3.39 -0.01 0.00 -0.22 0.00 0.00 33.01 29.47 1jnl s GLN 70 CO 0.55 0.21 0.05 0.71 -0.25 0.00 0.00 175.29 176.56 1jnl s TYR 71 N 0.60 0.21 -0.22 0.91 1.51 -0.63 -0.22 117.35 119.52 1jnl s TYR 71 Ca 0.06 -0.48 -0.17 0.00 -1.01 0.00 0.00 57.07 55.47 1jnl s TYR 71 Cb -0.12 -0.16 0.06 0.00 -0.11 0.00 0.00 41.96 41.63 1jnl s TYR 71 CO 0.01 -0.29 0.57 -1.54 -1.11 0.00 0.00 175.55 173.19 1jnl s SER 72 N -1.80 -0.66 0.20 2.29 1.04 -0.71 -0.10 113.70 113.96 1jnl s SER 72 Ca -0.10 1.18 -0.22 0.00 0.48 0.00 0.00 55.95 57.29 1jnl s SER 72 Cb -0.05 1.14 -0.08 0.00 0.10 0.00 0.00 66.02 67.13 1jnl s SER 72 CO -0.02 -0.21 0.75 -0.22 0.98 0.00 0.00 173.24 174.52 1jnl s LEU 73 N 0.82 4.46 -0.07 2.42 2.96 0.28 -2.13 118.68 127.41 1jnl s LEU 73 Ca -0.04 1.53 0.01 0.00 -0.22 0.00 0.00 54.13 55.41 1jnl s LEU 73 Cb -0.05 -3.45 0.02 0.00 0.50 0.00 0.00 46.19 43.21 1jnl s LEU 73 CO -0.07 0.11 -0.09 -0.75 -1.32 0.00 0.00 176.35 174.24 1jnl s LYS 74 N -1.59 1.40 -0.37 1.98 2.20 0.11 0.28 119.74 123.75 1jnl s LYS 74 Ca 0.40 -0.27 -0.01 0.00 -0.36 0.00 0.00 55.97 55.73 1jnl s LYS 74 Cb -0.20 -1.30 0.10 0.00 -1.51 0.00 0.00 37.83 34.92 1jnl s LYS 74 CO 0.23 -0.10 0.13 0.42 -0.36 0.00 0.00 175.35 175.67 1jnl s ILE 75 N 1.08 2.92 0.30 5.43 1.01 0.88 -0.42 121.20 132.39 1jnl s ILE 75 Ca -0.07 -2.06 -0.20 0.00 0.00 0.00 0.00 60.65 58.31 1jnl s ILE 75 Cb -0.14 -3.00 -0.09 0.00 0.01 0.00 0.00 42.46 39.24 1jnl s ILE 75 CO -0.01 -0.58 0.81 0.20 0.00 0.00 0.00 174.94 175.37 1jnl s ASN 76 N 1.46 7.05 -0.66 3.58 0.01 -0.53 -0.23 114.94 125.62 1jnl s ASN 76 Ca 0.07 1.53 -0.14 0.00 -0.71 0.00 0.00 52.86 53.62 1jnl s ASN 76 Cb -0.21 -2.47 0.02 0.00 0.41 0.00 0.00 41.25 39.00 1jnl s ASN 76 CO -0.05 -0.10 0.64 -0.24 -1.51 0.00 0.00 177.10 175.84 1jnl n SER 77 N 0.26 -5.81 -4.72 -1.22 2.88 -0.88 -4.73 113.62 99.40 1jnl n SER 77 Ca 0.01 -0.43 -0.39 0.00 -1.33 0.00 0.00 58.87 56.73 1jnl n SER 77 Cb 0.52 -2.60 0.04 0.00 -0.75 0.00 0.00 64.21 61.42 1jnl n SER 77 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1jnl n LEU 78 N -1.52 5.07 -4.26 2.46 4.77 0.67 -4.66 117.00 119.53 1jnl n LEU 78 Ca -0.16 0.96 -0.20 0.00 -0.03 0.00 0.00 56.01 56.59 1jnl n LEU 78 Cb 0.64 -1.54 -0.11 0.00 -2.33 0.00 0.00 43.42 40.08 1jnl n LEU 78 CO 0.58 -0.81 -0.47 -1.10 -1.33 0.00 0.00 177.39 174.26 1jnl s GLN 79 N -2.80 1.08 0.50 3.23 -1.52 -1.26 -0.80 119.66 118.09 1jnl s GLN 79 Ca 0.71 -1.24 0.34 0.00 -1.95 0.00 0.00 55.36 53.23 1jnl s GLN 79 Cb -0.43 -1.08 1.48 0.00 -0.22 0.00 0.00 33.01 32.76 1jnl s GLN 79 CO 0.50 0.22 1.72 -1.00 -0.25 0.00 0.00 175.29 176.48 1jnl h PRO 80 N 3.63 0.09 -0.61 2.91 0.13 -1.90 -0.56 132.00 135.69 1jnl h PRO 80 Ca -0.42 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1jnl h PRO 80 Cb 1.20 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1jnl h PRO 80 CO 0.48 0.06 0.00 -0.85 -0.23 0.00 0.00 178.00 177.46 1jnl n GLU 81 N -4.31 2.45 0.00 0.86 0.00 -1.25 -3.92 120.64 114.47 1jnl n GLU 81 Ca 0.31 -1.44 0.13 0.00 0.00 0.00 0.00 57.16 56.15 1jnl n GLU 81 Cb 1.35 -1.62 0.32 0.00 0.00 0.00 0.00 31.44 31.49 1jnl n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1jnl n ASP 82 N 0.42 1.05 -4.76 -1.84 8.00 -0.22 -4.92 116.55 114.29 1jnl n ASP 82 Ca 0.13 -0.87 -0.36 0.00 0.71 0.00 0.00 54.79 54.40 1jnl n ASP 82 Cb 0.54 0.20 0.01 0.00 -0.02 0.00 0.00 41.12 41.85 1jnl n ASP 82 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1jnl s PHE 83 N -2.57 2.59 -5.00 1.24 -0.12 -1.25 -4.90 117.98 107.98 1jnl s PHE 83 Ca 0.22 1.52 0.00 0.00 -0.05 0.00 0.00 56.93 58.62 1jnl s PHE 83 Cb 0.19 -3.41 0.00 0.00 -0.63 0.00 0.00 43.02 39.17 1jnl s PHE 83 CO 0.55 -1.86 0.00 0.41 -0.05 0.00 0.00 175.22 174.27 1jnl n GLY 84 N 0.37 0.31 3.52 1.99 0.00 -1.09 -4.90 105.19 105.40 1jnl n GLY 84 Ca 0.11 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 1jnl n GLY 84 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jnl s ASN 85 N -4.00 4.08 -0.10 1.61 0.01 -0.85 -1.68 114.94 114.02 1jnl s ASN 85 Ca 0.00 -0.51 0.01 0.00 -0.71 0.00 0.00 52.86 51.65 1jnl s ASN 85 Cb 0.00 -0.65 0.02 0.00 0.41 0.00 0.00 41.25 41.03 1jnl s ASN 85 CO 0.00 0.17 -0.11 -0.31 -1.51 0.00 0.00 177.10 175.34 1jnl s TYR 86 N -1.24 1.60 -0.06 2.20 1.51 -1.04 -0.46 117.35 119.87 1jnl s TYR 86 Ca 0.20 -0.73 0.06 0.00 -1.01 0.00 0.00 57.07 55.59 1jnl s TYR 86 Cb -0.10 -1.23 -0.01 0.00 -0.11 0.00 0.00 41.96 40.51 1jnl s TYR 86 CO 0.12 -0.43 -0.24 0.71 -1.11 0.00 0.00 175.55 174.60 1jnl s TYR 87 N 1.19 2.46 -0.15 2.71 2.02 -0.81 -2.46 117.35 122.31 1jnl s TYR 87 Ca -0.04 -0.65 -0.07 0.00 -0.37 0.00 0.00 57.07 55.94 1jnl s TYR 87 Cb -0.14 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.78 1jnl s TYR 87 CO -0.03 -0.17 0.09 0.00 -1.57 0.00 0.00 175.55 173.87 1jnl s HIS 89 N -0.35 1.68 0.09 0.00 2.46 0.18 -0.90 115.29 118.46 1jnl s HIS 89 Ca 0.10 -0.50 0.02 0.00 0.47 0.00 0.00 55.06 55.15 1jnl s HIS 89 Cb -0.12 -1.14 -0.04 0.00 -0.13 0.00 0.00 32.58 31.16 1jnl s HIS 89 CO 0.01 -0.18 0.19 -3.38 -2.47 0.00 0.00 174.74 168.91 1jnl s HIS 90 N 0.10 3.39 -0.34 3.88 -3.43 -0.61 -0.83 115.29 117.45 1jnl s HIS 90 Ca -0.05 0.15 0.14 0.00 -0.80 0.00 0.00 55.06 54.50 1jnl s HIS 90 Cb -0.12 -1.68 0.43 0.00 -1.43 0.00 0.00 32.58 29.78 1jnl s HIS 90 CO 0.02 0.55 1.36 1.97 -2.00 0.00 0.00 174.74 176.64 1jnl n PHE 91 N 0.09 -1.27 -0.01 0.38 1.16 -1.10 -3.45 117.46 113.26 1jnl n PHE 91 Ca -0.07 -1.96 -0.10 0.00 -1.87 0.00 0.00 57.45 53.45 1jnl n PHE 91 Cb 0.52 1.06 -0.08 0.00 -1.61 0.00 0.00 39.48 39.37 1jnl n PHE 91 CO 0.00 0.00 0.00 2.35 -1.87 0.00 0.00 176.76 177.24 1jnl h TRP 92 N 1.77 -0.09 -4.14 2.97 -0.00 -1.84 -3.48 115.95 111.14 1jnl h TRP 92 Ca -0.31 -0.00 -0.38 0.00 -0.00 0.00 0.00 58.89 58.19 1jnl h TRP 92 Cb 1.28 0.03 -0.14 0.00 -0.00 0.00 0.00 29.16 30.33 1jnl h TRP 92 CO 0.14 0.44 -0.57 0.54 -0.00 0.00 0.00 178.44 179.00 1jnl s ASN 93 N -5.73 1.27 0.13 2.65 2.20 -1.26 -5.11 114.94 109.10 1jnl s ASN 93 Ca -0.12 -1.53 -0.18 0.00 -0.94 0.00 0.00 52.86 50.08 1jnl s ASN 93 Cb -0.01 0.38 -0.07 0.00 -2.00 0.00 0.00 41.25 39.55 1jnl s ASN 93 CO 0.46 -0.88 0.61 0.42 -2.94 0.00 0.00 177.10 174.78 1jnl s THR 94 N -3.70 4.70 0.30 0.54 -4.23 -1.26 -3.44 115.64 108.55 1jnl s THR 94 Ca 0.37 1.16 -0.21 0.00 -1.18 0.00 0.00 61.69 61.83 1jnl s THR 94 Cb 0.05 -3.86 -0.09 0.00 1.34 0.00 0.00 72.50 69.94 1jnl s THR 94 CO 0.17 0.39 0.81 -2.16 -0.54 0.00 0.00 174.62 173.29 1jnl s PRO 95 N -1.54 4.29 -0.81 3.99 0.04 -1.26 -4.87 135.00 134.83 1jnl s PRO 95 Ca 0.35 0.98 -0.25 0.00 0.04 0.00 0.00 61.00 62.12 1jnl s PRO 95 Cb -0.18 -2.68 0.01 0.00 0.04 0.00 0.00 34.50 31.69 1jnl s PRO 95 CO 0.20 0.26 1.61 0.71 0.04 0.00 0.00 177.00 179.82 1jnl s TYR 96 N -1.73 2.08 0.36 0.56 2.02 -1.22 -4.76 117.35 114.67 1jnl s TYR 96 Ca 0.50 0.11 -0.06 0.00 -0.37 0.00 0.00 57.07 57.24 1jnl s TYR 96 Cb -0.15 -4.39 -0.05 0.00 -0.40 0.00 0.00 41.96 36.97 1jnl s TYR 96 CO 0.20 -2.03 0.66 0.95 -1.57 0.00 0.00 175.55 173.75 1jnl s THR 97 N 7.32 4.93 0.06 -0.71 -4.23 -1.22 -4.83 115.64 116.96 1jnl s THR 97 Ca 0.53 0.23 0.01 0.00 -1.18 0.00 0.00 61.69 61.28 1jnl s THR 97 Cb -0.07 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1jnl s THR 97 CO 0.07 -0.48 0.13 -0.36 -0.54 0.00 0.00 174.62 173.44 1jnl s PHE 98 N -2.29 3.34 0.77 3.99 0.08 -1.26 -1.57 117.98 121.05 1jnl s PHE 98 Ca 0.47 0.17 -0.12 0.00 0.12 0.00 0.00 56.93 57.57 1jnl s PHE 98 Cb -0.10 -1.70 0.05 0.00 -0.57 0.00 0.00 43.02 40.70 1jnl s PHE 98 CO 0.33 0.56 1.10 0.20 -0.10 0.00 0.00 175.22 177.31 1jnl s GLY 99 N -2.32 1.62 0.04 4.36 0.00 -0.08 -4.72 107.32 106.23 1jnl s GLY 99 Ca 0.30 -0.30 0.15 0.00 0.00 0.00 0.00 44.72 44.87 1jnl s GLY 99 CO 0.23 0.12 1.46 0.61 0.00 0.00 0.00 173.10 175.52 1jnl n GLY 100 N -2.50 -1.00 0.00 0.20 0.00 -1.26 -4.73 105.19 95.91 1jnl n GLY 100 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1jnl n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jnl n GLY 101 N -0.16 0.36 3.02 -0.02 0.00 -1.26 -5.01 105.19 102.13 1jnl n GLY 101 Ca 0.03 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 1jnl n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jnl s THR 102 N -1.39 -0.56 -0.54 2.61 2.01 -1.03 -4.50 115.64 112.25 1jnl s THR 102 Ca 0.00 0.06 -0.26 0.00 0.31 0.00 0.00 61.69 61.80 1jnl s THR 102 Cb 0.00 -0.69 0.03 0.00 0.01 0.00 0.00 72.50 71.85 1jnl s THR 102 CO 0.00 -0.03 1.02 -0.54 -0.69 0.00 0.00 174.62 174.38 1jnl s LYS 103 N 2.52 3.44 -0.38 4.92 1.02 -0.02 -2.49 119.74 128.76 1jnl s LYS 103 Ca 0.06 0.00 -0.11 0.00 0.02 0.00 0.00 55.97 55.94 1jnl s LYS 103 Cb -0.14 -4.01 0.04 0.00 -0.52 0.00 0.00 37.83 33.20 1jnl s LYS 103 CO -0.13 -1.48 0.22 -1.17 -0.92 0.00 0.00 175.35 171.87 1jnl s LEU 104 N 4.21 4.82 0.26 3.17 2.96 -0.67 0.11 118.68 133.53 1jnl s LEU 104 Ca 0.36 -1.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.19 1jnl s LEU 104 Cb -0.10 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1jnl s LEU 104 CO 0.23 -0.42 0.44 -0.70 -1.32 0.00 0.00 176.35 174.58 1jnl s GLU 105 N 1.53 3.50 -0.29 1.98 2.12 0.17 -2.67 118.70 125.04 1jnl s GLU 105 Ca 0.02 -0.41 -0.07 0.00 0.36 0.00 0.00 54.97 54.87 1jnl s GLU 105 Cb -0.20 -2.78 0.00 0.00 0.26 0.00 0.00 34.13 31.41 1jnl s GLU 105 CO 0.06 0.31 0.09 0.42 -0.54 0.00 0.00 175.26 175.61 1jnl s ILE 106 N -2.05 4.14 0.18 -3.70 1.01 -1.26 -3.03 121.20 116.49 1jnl s ILE 106 Ca 0.38 -0.56 -0.32 0.00 0.00 0.00 0.00 60.65 60.16 1jnl s ILE 106 Cb -0.10 -3.10 -0.11 0.00 0.01 0.00 0.00 42.46 39.16 1jnl s ILE 106 CO 0.31 0.12 1.65 -0.75 0.00 0.00 0.00 174.94 176.27 1jnl s LYS 107 N 1.54 4.17 0.17 2.79 2.47 0.64 -4.87 119.74 126.65 1jnl s LYS 107 Ca 0.04 2.48 -0.10 0.00 -1.56 0.00 0.00 55.97 56.82 1jnl s LYS 107 Cb -0.17 -3.14 -0.00 0.00 -1.46 0.00 0.00 37.83 33.06 1jnl s LYS 107 CO 0.03 -0.68 0.32 0.50 0.16 0.00 0.00 175.35 175.68 1jnl s ARG 108 N 1.23 1.21 0.57 4.03 3.52 -1.26 -3.98 118.95 124.26 1jnl s ARG 108 Ca 0.73 -1.15 -0.20 0.00 -0.13 0.00 0.00 55.73 54.97 1jnl s ARG 108 Cb -0.46 0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 33.28 1jnl s ARG 108 CO 0.32 -0.46 1.23 0.00 -0.81 0.00 0.00 175.30 175.58 1jnl s ALA 109 N -3.96 2.65 0.62 6.12 0.00 -1.26 -4.96 121.76 120.96 1jnl s ALA 109 Ca 0.17 1.06 -0.18 0.00 0.00 0.00 0.00 51.96 53.01 1jnl s ALA 109 Cb 0.03 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.66 1jnl s ALA 109 CO 0.01 -1.13 1.23 -0.51 0.00 0.00 0.00 175.76 175.35 1jnl s ASP 110 N -1.45 4.93 -0.14 0.00 1.11 -1.26 -4.85 116.67 115.02 1jnl s ASP 110 Ca 0.75 2.46 -0.13 0.00 0.18 0.00 0.00 52.55 55.80 1jnl s ASP 110 Cb -0.32 -2.60 0.04 0.00 1.07 0.00 0.00 42.92 41.10 1jnl s ASP 110 CO 0.36 -1.77 0.37 0.00 1.18 0.00 0.00 175.17 175.30 1jnl s ALA 111 N -1.57 -0.91 0.42 5.23 0.00 0.11 -4.91 121.76 120.14 1jnl s ALA 111 Ca 0.79 1.03 -0.14 0.00 0.00 0.00 0.00 51.96 53.64 1jnl s ALA 111 Cb -0.32 -0.60 -0.08 0.00 0.00 0.00 0.00 23.12 22.12 1jnl s ALA 111 CO 0.36 -0.17 0.83 0.00 0.00 0.00 0.00 175.76 176.78 1jnl s ALA 112 N 0.18 3.24 -0.18 0.00 0.00 -1.26 -0.66 121.76 123.09 1jnl s ALA 112 Ca -0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 51.96 51.66 1jnl s ALA 112 Cb -0.03 -2.86 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 1jnl s ALA 112 CO 0.01 0.01 1.25 -1.25 0.00 0.00 0.00 175.76 175.77 1jnl s PRO 113 N -3.68 4.22 -0.45 0.00 0.04 -1.26 -4.31 135.00 129.55 1jnl s PRO 113 Ca 0.55 1.62 -0.22 0.00 0.04 0.00 0.00 61.00 62.99 1jnl s PRO 113 Cb -0.10 -3.76 0.03 0.00 0.04 0.00 0.00 34.50 30.70 1jnl s PRO 113 CO 0.27 -0.72 0.71 -0.08 0.04 0.00 0.00 177.00 177.22 1jnl s THR 114 N 3.52 4.73 0.14 1.26 -1.32 -0.32 -4.86 115.64 118.79 1jnl s THR 114 Ca 0.54 0.21 0.04 0.00 -1.21 0.00 0.00 61.69 61.27 1jnl s THR 114 Cb -0.21 -4.28 -0.04 0.00 -1.51 0.00 0.00 72.50 66.47 1jnl s THR 114 CO 0.14 -0.69 0.17 0.68 -2.21 0.00 0.00 174.62 172.72 1jnl s VAL 115 N 3.06 4.78 -0.06 5.08 -7.23 -1.26 -1.27 120.40 123.51 1jnl s VAL 115 Ca 0.25 -0.89 -0.15 0.00 -1.81 0.00 0.00 61.98 59.39 1jnl s VAL 115 Cb -0.13 -3.42 0.03 0.00 0.56 0.00 0.00 36.38 33.41 1jnl s VAL 115 CO 0.20 -0.06 0.34 -0.94 -0.31 0.00 0.00 175.10 174.34 1jnl s SER 116 N -3.01 -0.27 0.06 4.85 1.04 -0.82 -5.00 113.70 110.55 1jnl s SER 116 Ca 0.32 0.33 0.06 0.00 0.48 0.00 0.00 55.95 57.14 1jnl s SER 116 Cb -0.11 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 1jnl s SER 116 CO 0.25 -0.35 -0.17 -0.51 0.98 0.00 0.00 173.24 173.44 1jnl s ILE 117 N -0.81 1.37 -0.04 -1.02 2.07 -1.26 -0.47 121.20 121.03 1jnl s ILE 117 Ca -0.09 -1.25 0.02 0.00 -1.41 0.00 0.00 60.65 57.92 1jnl s ILE 117 Cb -0.04 -1.24 0.02 0.00 0.13 0.00 0.00 42.46 41.32 1jnl s ILE 117 CO 0.03 -0.03 -0.07 -0.36 -1.91 0.00 0.00 174.94 172.60 1jnl s PHE 118 N -1.02 0.92 0.96 3.50 0.08 0.13 -4.98 117.98 117.57 1jnl s PHE 118 Ca 0.03 -0.27 -0.12 0.00 0.12 0.00 0.00 56.93 56.69 1jnl s PHE 118 Cb -0.09 -0.73 0.16 0.00 -0.57 0.00 0.00 43.02 41.80 1jnl s PHE 118 CO 0.02 -0.18 1.12 -1.25 -0.10 0.00 0.00 175.22 174.84 1jnl s PRO 119 N 0.65 0.77 0.37 0.24 0.04 -1.26 -2.10 135.00 133.71 1jnl s PRO 119 Ca -0.10 0.36 -0.27 0.00 0.04 0.00 0.00 61.00 61.03 1jnl s PRO 119 Cb -0.13 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 1jnl s PRO 119 CO 0.01 -2.46 1.32 -2.14 0.04 0.00 0.00 177.00 173.77 1jnl s PRO 120 N -5.16 4.13 0.34 0.56 0.02 -1.23 -4.80 135.00 128.86 1jnl s PRO 120 Ca 0.65 2.22 -0.29 0.00 0.02 0.00 0.00 61.00 63.60 1jnl s PRO 120 Cb -0.16 -2.90 -0.11 0.00 0.02 0.00 0.00 34.50 31.35 1jnl s PRO 120 CO 0.55 -0.38 1.39 -1.54 -0.33 0.00 0.00 177.00 176.70 1jnl s SER 121 N -0.59 6.59 0.35 2.53 1.04 -1.26 -4.86 113.70 117.50 1jnl s SER 121 Ca 0.53 2.83 0.14 0.00 0.48 0.00 0.00 55.95 59.93 1jnl s SER 121 Cb -0.39 -2.65 1.02 0.00 0.10 0.00 0.00 66.02 64.10 1jnl s SER 121 CO 0.52 -0.69 1.72 0.28 0.98 0.00 0.00 173.24 176.05 1jnl h SER 122 N 3.44 0.56 -0.44 7.02 0.02 -2.01 0.27 113.55 122.40 1jnl h SER 122 Ca -0.49 0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 1jnl h SER 122 Cb 1.23 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 1jnl h SER 122 CO 0.66 0.02 0.17 -0.33 -1.14 0.00 0.00 176.83 176.22 1jnl h GLU 123 N 0.44 0.66 -0.35 3.45 3.07 -2.00 -3.13 114.58 116.72 1jnl h GLU 123 Ca 0.67 -0.12 -0.10 0.00 -0.50 0.00 0.00 59.36 59.30 1jnl h GLU 123 Cb 1.49 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.28 1jnl h GLU 123 CO -0.46 0.61 -0.21 0.37 -1.40 0.00 0.00 179.01 177.92 1jnl h GLN 124 N 0.57 0.68 -0.46 2.33 4.15 -0.80 -3.15 115.11 118.43 1jnl h GLN 124 Ca 0.15 -0.26 0.13 0.00 0.77 0.00 0.00 58.65 59.44 1jnl h GLN 124 Cb 0.20 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 1jnl h GLN 124 CO -0.01 0.84 0.60 -0.07 -1.93 0.00 0.00 178.83 178.25 1jnl h LEU 125 N 0.60 0.00 0.00 -2.39 3.38 -1.40 0.55 115.31 116.05 1jnl h LEU 125 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1jnl h LEU 125 Cb 0.68 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1jnl h LEU 125 CO 0.05 0.00 -0.59 0.71 0.09 0.00 0.00 178.44 178.70 1jnl h THR 126 N 0.00 0.00 0.00 0.22 1.35 -1.70 -3.28 112.91 109.50 1jnl h THR 126 Ca 0.22 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1jnl h THR 126 Cb 1.41 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 1jnl h THR 126 CO -0.00 0.00 0.00 0.77 -0.25 0.00 0.00 175.52 176.04 1jnl h SER 127 N 0.00 0.00 -0.05 5.36 4.64 -1.04 -3.46 113.55 119.01 1jnl h SER 127 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jnl h SER 127 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1jnl h SER 127 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1jnl n GLY 128 N 0.27 1.28 3.32 -0.77 0.00 -1.24 -5.04 105.19 103.00 1jnl n GLY 128 Ca 0.01 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1jnl n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jnl s GLY 129 N -2.07 -0.27 -0.16 -0.02 0.00 -1.25 -3.37 107.32 100.18 1jnl s GLY 129 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 44.72 44.81 1jnl s GLY 129 CO 0.00 -0.12 0.27 0.00 0.00 0.00 0.00 173.10 173.25 1jnl s ALA 130 N -3.09 -0.56 -0.26 3.20 0.00 0.80 -3.46 121.76 118.39 1jnl s ALA 130 Ca -0.01 0.78 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 1jnl s ALA 130 Cb 0.00 -1.18 0.01 0.00 0.00 0.00 0.00 23.12 21.96 1jnl s ALA 130 CO -0.07 -0.86 -0.01 -1.12 0.00 0.00 0.00 175.76 173.71 1jnl s SER 131 N 2.42 4.60 -0.20 0.00 0.01 -1.26 0.07 113.70 119.33 1jnl s SER 131 Ca 0.04 -0.75 -0.14 0.00 1.31 0.00 0.00 55.95 56.41 1jnl s SER 131 Cb -0.13 -1.75 -0.04 0.00 0.21 0.00 0.00 66.02 64.30 1jnl s SER 131 CO -0.10 -0.13 0.31 -0.69 0.41 0.00 0.00 173.24 173.03 1jnl s VAL 132 N 1.41 5.27 0.16 3.43 1.01 -0.08 -3.55 120.40 128.04 1jnl s VAL 132 Ca 0.02 0.53 0.10 0.00 0.00 0.00 0.00 61.98 62.62 1jnl s VAL 132 Cb -0.16 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1jnl s VAL 132 CO -0.02 0.31 -0.19 -0.69 0.00 0.00 0.00 175.10 174.51 1jnl s VAL 133 N 1.06 2.67 -0.13 2.92 1.01 -0.89 -1.22 120.40 125.82 1jnl s VAL 133 Ca 0.15 -1.77 -0.06 0.00 0.00 0.00 0.00 61.98 60.30 1jnl s VAL 133 Cb -0.14 -2.27 0.05 0.00 0.00 0.00 0.00 36.38 34.03 1jnl s VAL 133 CO 0.06 -0.03 0.29 0.00 0.00 0.00 0.00 175.10 175.42 1jnl s PHE 135 N 1.58 3.05 -1.00 0.00 0.08 0.38 -1.05 117.98 121.02 1jnl s PHE 135 Ca -0.07 -0.53 -0.03 0.00 0.12 0.00 0.00 56.93 56.42 1jnl s PHE 135 Cb -0.10 -2.16 0.28 0.00 -0.57 0.00 0.00 43.02 40.47 1jnl s PHE 135 CO -0.10 -0.35 1.21 1.28 -0.10 0.00 0.00 175.22 177.16 1jnl n LEU 136 N 4.67 5.55 -4.77 -0.37 7.99 -0.31 -1.95 117.00 127.82 1jnl n LEU 136 Ca -0.17 -5.21 -0.39 0.00 -0.01 0.00 0.00 56.01 50.24 1jnl n LEU 136 Cb 0.51 -1.20 -0.02 0.00 -0.11 0.00 0.00 43.42 42.61 1jnl n LEU 136 CO 0.31 1.66 0.86 0.20 -1.51 0.00 0.00 177.39 178.91 1jnl s ASN 137 N -1.07 6.55 -1.18 -1.43 0.01 -0.40 -3.47 114.94 113.96 1jnl s ASN 137 Ca 0.32 2.39 -0.03 0.00 -0.71 0.00 0.00 52.86 54.83 1jnl s ASN 137 Cb 0.02 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1jnl s ASN 137 CO 0.02 -0.66 1.01 0.59 -1.51 0.00 0.00 177.10 176.55 1jnl n ASN 138 N 0.18 -3.45 -4.85 -1.22 4.13 -0.52 -1.17 115.26 108.36 1jnl n ASN 138 Ca 0.04 -0.56 -0.22 0.00 1.68 0.00 0.00 54.58 55.52 1jnl n ASN 138 Cb 0.46 -4.84 -0.04 0.00 -1.54 0.00 0.00 39.78 33.82 1jnl n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1jnl s PHE 139 N -3.33 2.70 -0.28 3.10 -0.12 -0.45 -4.62 117.98 114.99 1jnl s PHE 139 Ca 0.19 -0.50 -0.18 0.00 -0.05 0.00 0.00 56.93 56.39 1jnl s PHE 139 Cb -0.08 -2.10 0.10 0.00 -0.63 0.00 0.00 43.02 40.30 1jnl s PHE 139 CO 0.69 -0.04 0.80 -0.47 -0.05 0.00 0.00 175.22 176.15 1jnl s TYR 140 N -2.49 -0.84 1.07 3.49 5.04 0.17 -1.33 117.35 122.46 1jnl s TYR 140 Ca 0.46 1.75 -0.15 0.00 -2.44 0.00 0.00 57.07 56.69 1jnl s TYR 140 Cb -0.02 0.48 0.23 0.00 0.35 0.00 0.00 41.96 42.99 1jnl s TYR 140 CO 0.27 -0.41 1.12 -1.25 -1.34 0.00 0.00 175.55 173.93 1jnl s PRO 141 N 1.23 -0.18 0.43 4.97 0.04 -1.26 0.10 135.00 140.32 1jnl s PRO 141 Ca -0.07 0.20 0.17 0.00 0.04 0.00 0.00 61.00 61.33 1jnl s PRO 141 Cb -0.05 -1.69 0.97 0.00 0.04 0.00 0.00 34.50 33.76 1jnl s PRO 141 CO -0.14 -3.07 1.93 -0.22 0.04 0.00 0.00 177.00 175.54 1jnl h LYS 142 N -2.13 0.00 -6.66 4.56 3.64 -1.98 -3.44 116.57 110.57 1jnl h LYS 142 Ca -0.50 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.34 1jnl h LYS 142 Cb 1.31 0.00 0.07 0.00 -0.41 0.00 0.00 32.23 33.20 1jnl h LYS 142 CO 0.48 0.26 0.90 -3.47 -2.27 0.00 0.00 179.45 175.35 1jnl n ASP 143 N -4.04 3.67 -3.61 4.20 -0.08 -1.26 -4.94 116.55 110.49 1jnl n ASP 143 Ca -0.02 1.09 -0.08 0.00 -1.51 0.00 0.00 54.79 54.27 1jnl n ASP 143 Cb 0.32 -1.54 -0.06 0.00 2.34 0.00 0.00 41.12 42.19 1jnl n ASP 143 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1jnl s ILE 144 N 0.70 0.00 -0.04 5.18 2.07 -1.26 -4.72 121.20 123.14 1jnl s ILE 144 Ca 0.72 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.96 1jnl s ILE 144 Cb -0.55 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.07 1jnl s ILE 144 CO 0.39 0.00 0.01 0.21 -1.91 0.00 0.00 174.94 173.64 1jnl s ASN 145 N -0.65 0.71 -0.04 4.50 2.47 -0.84 -5.01 114.94 116.08 1jnl s ASN 145 Ca 0.02 -0.02 0.05 0.00 0.42 0.00 0.00 52.86 53.32 1jnl s ASN 145 Cb -0.02 -0.25 -0.02 0.00 -1.45 0.00 0.00 41.25 39.50 1jnl s ASN 145 CO -0.04 -0.13 -0.17 0.68 -3.72 0.00 0.00 177.10 173.72 1jnl s VAL 146 N 1.31 2.81 -0.05 -5.21 -7.23 -1.26 -0.31 120.40 110.45 1jnl s VAL 146 Ca -0.06 -0.82 0.04 0.00 -1.81 0.00 0.00 61.98 59.33 1jnl s VAL 146 Cb -0.13 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.74 1jnl s VAL 146 CO -0.02 0.59 -0.16 -1.59 -0.31 0.00 0.00 175.10 173.60 1jnl s LYS 147 N -0.67 1.83 -0.51 4.82 -2.85 -0.49 -4.97 119.74 116.90 1jnl s LYS 147 Ca 0.10 -0.56 -0.24 0.00 -1.00 0.00 0.00 55.97 54.28 1jnl s LYS 147 Cb -0.11 -1.54 0.04 0.00 -2.06 0.00 0.00 37.83 34.16 1jnl s LYS 147 CO 0.00 0.17 0.88 -1.58 0.10 0.00 0.00 175.35 174.93 1jnl s TRP 148 N 0.25 2.87 -0.44 1.78 0.52 -1.26 -2.37 118.94 120.30 1jnl s TRP 148 Ca -0.08 0.05 -0.14 0.00 0.02 0.00 0.00 56.10 55.95 1jnl s TRP 148 Cb -0.13 -3.93 0.06 0.00 -1.15 0.00 0.00 33.47 28.32 1jnl s TRP 148 CO 0.03 -1.21 0.34 0.15 0.02 0.00 0.00 176.95 176.28 1jnl s LYS 149 N 3.69 2.89 0.00 4.98 1.02 -0.03 -0.51 119.74 131.79 1jnl s LYS 149 Ca 0.30 -1.30 0.00 0.00 0.02 0.00 0.00 55.97 54.99 1jnl s LYS 149 Cb -0.12 -4.01 0.00 0.00 -0.52 0.00 0.00 37.83 33.18 1jnl s LYS 149 CO 0.21 -0.95 0.00 1.51 -0.92 0.00 0.00 175.35 175.20 1jnl n ILE 150 N 5.12 0.00 -1.57 2.17 3.06 0.18 -1.13 119.36 127.19 1jnl n ILE 150 Ca -0.12 0.00 -0.37 0.00 -2.50 0.00 0.00 62.75 59.77 1jnl n ILE 150 Cb 0.44 -0.63 -0.03 0.00 0.54 0.00 0.00 39.64 39.96 1jnl n ILE 150 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1jnl n ASP 151 N 0.00 8.08 0.00 9.51 8.00 -1.23 -3.85 116.55 137.06 1jnl n ASP 151 Ca 0.00 -2.83 0.00 0.00 0.71 0.00 0.00 54.79 52.67 1jnl n ASP 151 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 39.65 1jnl n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jnl n GLY 152 N 2.58 0.95 3.28 0.44 0.00 -1.26 -5.01 105.19 106.17 1jnl n GLY 152 Ca 0.68 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.38 1jnl n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jnl s SER 153 N -2.93 3.20 0.24 1.61 0.01 -1.26 -5.03 113.70 109.54 1jnl s SER 153 Ca 0.00 -0.49 -0.31 0.00 1.31 0.00 0.00 55.95 56.46 1jnl s SER 153 Cb 0.00 -1.03 -0.11 0.00 0.21 0.00 0.00 66.02 65.09 1jnl s SER 153 CO 0.00 0.22 1.59 -0.70 0.41 0.00 0.00 173.24 174.77 1jnl s GLU 154 N -0.04 4.17 -0.02 12.44 2.12 -1.26 0.48 118.70 136.58 1jnl s GLU 154 Ca -0.07 2.50 0.03 0.00 0.36 0.00 0.00 54.97 57.79 1jnl s GLU 154 Cb -0.15 -3.08 -0.00 0.00 0.26 0.00 0.00 34.13 31.17 1jnl s GLU 154 CO 0.05 -0.62 -0.11 0.50 -0.54 0.00 0.00 175.26 174.54 1jnl s ARG 155 N 0.23 1.05 -0.04 4.30 3.52 0.34 -4.84 118.95 123.51 1jnl s ARG 155 Ca 0.67 -0.36 0.06 0.00 -0.13 0.00 0.00 55.73 55.96 1jnl s ARG 155 Cb -0.46 -0.97 0.08 0.00 -1.56 0.00 0.00 34.95 32.04 1jnl s ARG 155 CO 0.40 0.16 0.99 0.00 -0.81 0.00 0.00 175.30 176.04 1jnl n GLN 156 N 3.16 0.55 -3.43 5.12 -0.00 -1.26 -4.00 117.38 117.51 1jnl n GLN 156 Ca -0.17 -1.44 -0.37 0.00 -0.00 0.00 0.00 57.00 55.02 1jnl n GLN 156 Cb 0.55 -0.82 -0.06 0.00 -0.00 0.00 0.00 30.24 29.90 1jnl n GLN 156 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1jnl s ASN 157 N -1.44 6.62 -1.15 2.61 3.84 -1.26 -4.45 114.94 119.72 1jnl s ASN 157 Ca 0.09 0.74 -0.04 0.00 0.21 0.00 0.00 52.86 53.87 1jnl s ASN 157 Cb 0.08 -2.24 0.00 0.00 -0.55 0.00 0.00 41.25 38.54 1jnl s ASN 157 CO 0.01 0.11 0.98 0.61 -2.79 0.00 0.00 177.10 176.02 1jnl n GLY 158 N 2.98 -0.34 3.35 1.21 0.00 -1.26 -4.67 105.19 106.47 1jnl n GLY 158 Ca -0.10 0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1jnl n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jnl s VAL 159 N -3.31 3.24 -0.18 1.61 1.01 -1.25 -0.62 120.40 120.90 1jnl s VAL 159 Ca 0.23 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1jnl s VAL 159 Cb -0.10 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 1jnl s VAL 159 CO 0.66 0.48 -0.06 -0.76 0.00 0.00 0.00 175.10 175.43 1jnl s LEU 160 N 0.81 3.00 -0.05 3.92 1.02 0.44 -4.90 118.68 122.92 1jnl s LEU 160 Ca -0.03 -0.28 0.06 0.00 0.02 0.00 0.00 54.13 53.90 1jnl s LEU 160 Cb -0.15 -1.73 -0.02 0.00 0.02 0.00 0.00 46.19 44.31 1jnl s LEU 160 CO 0.01 0.09 -0.23 0.20 0.02 0.00 0.00 176.35 176.45 1jnl s ASN 161 N 0.82 3.31 0.04 2.29 0.01 -1.26 -0.12 114.94 120.03 1jnl s ASN 161 Ca -0.02 -0.43 0.00 0.00 -0.71 0.00 0.00 52.86 51.71 1jnl s ASN 161 Cb -0.15 -0.75 -0.03 0.00 0.41 0.00 0.00 41.25 40.74 1jnl s ASN 161 CO 0.01 0.28 -0.04 -0.55 -1.51 0.00 0.00 177.10 175.29 1jnl s SER 162 N -0.37 0.57 0.04 -1.22 0.15 -0.44 -4.98 113.70 107.44 1jnl s SER 162 Ca 0.03 -0.73 0.01 0.00 0.70 0.00 0.00 55.95 55.96 1jnl s SER 162 Cb -0.12 0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.28 1jnl s SER 162 CO 0.02 -0.40 -0.05 0.26 1.20 0.00 0.00 173.24 174.27 1jnl s TRP 163 N -2.49 0.51 0.00 3.44 0.52 -1.26 -0.63 118.94 119.03 1jnl s TRP 163 Ca -0.04 -0.57 0.00 0.00 0.02 0.00 0.00 56.10 55.51 1jnl s TRP 163 Cb -0.02 -0.32 0.00 0.00 -1.15 0.00 0.00 33.47 31.97 1jnl s TRP 163 CO -0.04 -0.15 0.00 0.25 0.02 0.00 0.00 176.95 177.03 1jnl n THR 164 N 1.34 0.00 -3.95 2.01 -2.24 -0.91 -5.02 114.28 105.51 1jnl n THR 164 Ca -0.22 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.33 1jnl n THR 164 Cb 0.56 -1.22 -0.06 0.00 -2.10 0.00 0.00 70.33 67.51 1jnl n THR 164 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jnl s ASP 165 N -1.00 4.69 0.14 3.42 2.15 -1.26 -4.73 116.67 120.07 1jnl s ASP 165 Ca 0.00 -0.89 -0.35 0.00 0.43 0.00 0.00 52.55 51.74 1jnl s ASP 165 Cb 0.00 -0.58 -0.15 0.00 -0.30 0.00 0.00 42.92 41.89 1jnl s ASP 165 CO 0.00 -0.51 1.44 0.00 -0.17 0.00 0.00 175.17 175.93 1jnl n GLN 166 N -1.31 1.66 -1.16 4.34 6.02 -1.25 -4.73 117.38 120.95 1jnl n GLN 166 Ca -0.00 0.60 -0.33 0.00 -0.01 0.00 0.00 57.00 57.26 1jnl n GLN 166 Cb 0.63 -2.29 0.12 0.00 1.02 0.00 0.00 30.24 29.72 1jnl n GLN 166 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1jnl s ASP 167 N 0.62 3.77 0.15 1.08 -1.08 -0.72 -4.82 116.67 115.67 1jnl s ASP 167 Ca 0.80 2.27 -0.02 0.00 -0.52 0.00 0.00 52.55 55.07 1jnl s ASP 167 Cb -0.80 -2.58 -0.04 0.00 -1.46 0.00 0.00 42.92 38.04 1jnl s ASP 167 CO 0.43 -2.54 1.35 0.77 0.52 0.00 0.00 175.17 175.70 1jnl h SER 168 N -0.89 0.47 0.00 -0.34 4.64 -1.91 -2.27 113.55 113.24 1jnl h SER 168 Ca -0.46 -0.36 -0.28 0.00 -0.47 0.00 0.00 61.79 60.22 1jnl h SER 168 Cb 1.28 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 63.19 1jnl h SER 168 CO 0.47 1.14 -1.59 0.29 -0.87 0.00 0.00 176.83 176.27 1jnl n LYS 169 N -3.76 0.56 0.00 4.77 4.01 -1.26 -3.81 118.16 118.68 1jnl n LYS 169 Ca -0.05 0.47 0.09 0.00 -0.51 0.00 0.00 58.31 58.31 1jnl n LYS 169 Cb 0.79 -1.66 -0.03 0.00 -0.51 0.00 0.00 35.03 33.62 1jnl n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1jnl n ASP 170 N -4.39 1.52 -1.76 4.39 5.68 -1.26 -4.90 116.55 115.83 1jnl n ASP 170 Ca -0.37 -1.26 -0.16 0.00 -0.50 0.00 0.00 54.79 52.50 1jnl n ASP 170 Cb 0.71 0.62 -0.02 0.00 -1.14 0.00 0.00 41.12 41.30 1jnl n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1jnl n SER 171 N -0.46 -4.91 -4.35 -1.12 7.64 -0.85 -4.88 113.62 104.69 1jnl n SER 171 Ca 0.06 0.07 -0.16 0.00 1.01 0.00 0.00 58.87 59.85 1jnl n SER 171 Cb 0.36 -3.98 0.05 0.00 -1.01 0.00 0.00 64.21 59.62 1jnl n SER 171 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1jnl n THR 172 N -3.73 0.00 -4.43 0.44 -2.24 -1.26 -4.49 114.28 98.57 1jnl n THR 172 Ca -0.19 -1.57 -0.21 0.00 -2.27 0.00 0.00 64.05 59.81 1jnl n THR 172 Cb 0.63 -0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 68.19 1jnl n THR 172 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1jnl s TYR 173 N -1.91 1.90 0.03 4.78 2.02 -0.44 -1.75 117.35 121.98 1jnl s TYR 173 Ca 0.47 -0.88 -0.05 0.00 -0.37 0.00 0.00 57.07 56.23 1jnl s TYR 173 Cb -0.04 -1.19 -0.01 0.00 -0.40 0.00 0.00 41.96 40.32 1jnl s TYR 173 CO 0.30 0.07 0.08 -1.12 -1.57 0.00 0.00 175.55 173.31 1jnl s SER 174 N -3.45 0.18 0.01 2.29 0.01 -1.26 -1.34 113.70 110.14 1jnl s SER 174 Ca 0.33 -0.52 -0.03 0.00 1.31 0.00 0.00 55.95 57.04 1jnl s SER 174 Cb 0.07 0.21 -0.01 0.00 0.21 0.00 0.00 66.02 66.50 1jnl s SER 174 CO 0.14 -0.48 0.04 -0.32 0.41 0.00 0.00 173.24 173.03 1jnl s MET 175 N -2.45 0.33 -0.12 12.44 1.75 -1.23 -2.15 119.30 127.88 1jnl s MET 175 Ca -0.06 -0.42 0.02 0.00 -1.25 0.00 0.00 55.69 53.97 1jnl s MET 175 Cb -0.02 0.13 0.02 0.00 2.84 0.00 0.00 34.83 37.79 1jnl s MET 175 CO -0.04 -0.07 -0.16 0.45 -0.65 0.00 0.00 175.02 174.56 1jnl s SER 176 N -1.19 2.56 -0.14 1.11 0.15 0.20 -1.16 113.70 115.24 1jnl s SER 176 Ca -0.13 -0.46 -0.01 0.00 0.70 0.00 0.00 55.95 56.05 1jnl s SER 176 Cb -0.08 -1.15 -0.02 0.00 -1.71 0.00 0.00 66.02 63.07 1jnl s SER 176 CO 0.00 0.01 -0.11 -0.55 1.20 0.00 0.00 173.24 173.79 1jnl s SER 177 N 1.06 4.12 -0.21 5.45 0.15 -0.21 -1.33 113.70 122.73 1jnl s SER 177 Ca -0.04 -0.31 -0.01 0.00 0.70 0.00 0.00 55.95 56.29 1jnl s SER 177 Cb -0.15 -1.64 0.06 0.00 -1.71 0.00 0.00 66.02 62.58 1jnl s SER 177 CO -0.03 0.15 -0.03 -0.89 1.20 0.00 0.00 173.24 173.64 1jnl s THR 178 N 0.45 1.17 -0.34 6.45 2.01 0.83 -1.44 115.64 124.76 1jnl s THR 178 Ca -0.09 -0.95 -0.15 0.00 0.31 0.00 0.00 61.69 60.82 1jnl s THR 178 Cb -0.16 -1.50 -0.01 0.00 0.01 0.00 0.00 72.50 70.84 1jnl s THR 178 CO 0.04 -0.11 0.34 -0.22 -0.69 0.00 0.00 174.62 173.98 1jnl s LEU 179 N 1.56 4.44 -0.28 4.42 2.96 -0.36 -0.42 118.68 131.01 1jnl s LEU 179 Ca -0.04 -0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 53.54 1jnl s LEU 179 Cb -0.18 -2.30 -0.02 0.00 0.50 0.00 0.00 46.19 44.19 1jnl s LEU 179 CO -0.07 -0.31 0.11 -0.89 -1.32 0.00 0.00 176.35 173.87 1jnl s THR 180 N 1.96 4.47 0.39 3.68 2.01 0.21 -0.91 115.64 127.46 1jnl s THR 180 Ca 0.11 -0.26 0.08 0.00 0.31 0.00 0.00 61.69 61.92 1jnl s THR 180 Cb -0.17 -3.18 -0.07 0.00 0.01 0.00 0.00 72.50 69.10 1jnl s THR 180 CO 0.11 0.22 0.04 -0.76 -0.69 0.00 0.00 174.62 173.55 1jnl s LEU 181 N 1.62 2.95 0.30 4.42 1.02 0.11 -4.75 118.68 124.35 1jnl s LEU 181 Ca 0.06 -1.19 -0.21 0.00 0.02 0.00 0.00 54.13 52.80 1jnl s LEU 181 Cb -0.16 -1.15 -0.09 0.00 0.02 0.00 0.00 46.19 44.80 1jnl s LEU 181 CO 0.05 -0.40 0.83 0.42 0.02 0.00 0.00 176.35 177.27 1jnl s THR 182 N -2.63 4.44 0.29 5.49 -4.23 -1.26 -0.14 115.64 117.59 1jnl s THR 182 Ca 0.36 1.46 0.00 0.00 -1.18 0.00 0.00 61.69 62.33 1jnl s THR 182 Cb 0.05 -3.85 0.34 0.00 1.34 0.00 0.00 72.50 70.38 1jnl s THR 182 CO 0.19 0.07 1.62 0.50 -0.54 0.00 0.00 174.62 176.46 1jnl h LYS 183 N 2.99 0.11 -0.04 3.99 3.64 -1.74 -1.01 116.57 124.51 1jnl h LYS 183 Ca -0.48 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 58.93 1jnl h LYS 183 Cb 1.19 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 1jnl h LYS 183 CO 0.65 0.07 -0.39 -0.44 -2.27 0.00 0.00 179.45 177.07 1jnl h ASP 184 N 0.12 -1.20 -0.61 4.20 3.45 -1.92 -2.26 116.42 118.20 1jnl h ASP 184 Ca 0.54 0.15 -0.04 0.00 0.43 0.00 0.00 57.03 58.11 1jnl h ASP 184 Cb 1.08 0.48 -0.03 0.00 -0.56 0.00 0.00 39.33 40.30 1jnl h ASP 184 CO -0.74 -0.43 0.24 -0.08 -1.57 0.00 0.00 179.24 176.65 1jnl h GLU 185 N -0.52 0.95 -0.69 3.56 4.81 -1.60 -2.61 114.58 118.48 1jnl h GLU 185 Ca 0.06 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1jnl h GLU 185 Cb 0.62 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 1jnl h GLU 185 CO -0.33 0.79 0.41 -0.92 -0.73 0.00 0.00 179.01 178.22 1jnl h TYR 186 N 0.93 0.91 0.00 0.92 3.20 -1.11 -1.92 116.97 119.90 1jnl h TYR 186 Ca 0.21 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1jnl h TYR 186 Cb 0.21 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.18 1jnl h TYR 186 CO 0.02 0.61 0.00 0.93 -1.64 0.00 0.00 178.16 178.08 1jnl h GLU 187 N 0.95 0.00 -0.90 1.82 4.39 -1.02 -3.26 114.58 116.57 1jnl h GLU 187 Ca 0.25 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.34 1jnl h GLU 187 Cb -0.03 0.00 -0.37 0.00 -0.10 0.00 0.00 28.75 28.26 1jnl h GLU 187 CO -0.05 0.00 -0.07 2.89 -1.16 0.00 0.00 179.01 180.62 1jnl n ARG 188 N -2.34 3.21 -3.55 2.33 1.85 -0.72 -4.96 116.66 112.48 1jnl n ARG 188 Ca 0.03 -3.80 -0.15 0.00 -1.00 0.00 0.00 57.85 52.93 1jnl n ARG 188 Cb 0.27 -2.28 -0.06 0.00 -1.05 0.00 0.00 32.46 29.34 1jnl n ARG 188 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1jnl s HIS 189 N -3.70 -0.57 0.00 2.89 3.76 -1.23 -5.05 115.29 111.39 1jnl s HIS 189 Ca 0.57 1.04 0.00 0.00 -0.15 0.00 0.00 55.06 56.51 1jnl s HIS 189 Cb 0.45 0.41 0.00 0.00 1.11 0.00 0.00 32.58 34.55 1jnl s HIS 189 CO 0.00 -0.49 0.00 0.09 -0.85 0.00 0.00 174.74 173.49 1jnl n ASN 190 N 1.04 0.00 -4.77 1.40 4.13 -1.26 -4.97 115.26 110.83 1jnl n ASN 190 Ca -0.16 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.71 1jnl n ASN 190 Cb 0.57 -0.11 -0.02 0.00 -1.54 0.00 0.00 39.78 38.68 1jnl n ASN 190 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1jnl s SER 191 N -1.57 6.65 -0.08 6.41 1.04 -1.23 -4.10 113.70 120.81 1jnl s SER 191 Ca 0.00 2.53 0.00 0.00 0.48 0.00 0.00 55.95 58.96 1jnl s SER 191 Cb 0.00 -2.63 0.02 0.00 0.10 0.00 0.00 66.02 63.51 1jnl s SER 191 CO 0.00 -0.60 -0.07 -0.31 0.98 0.00 0.00 173.24 173.24 1jnl s TYR 192 N -1.25 1.18 -0.14 5.02 1.51 -0.73 -3.50 117.35 119.45 1jnl s TYR 192 Ca 0.53 -0.48 -0.00 0.00 -1.01 0.00 0.00 57.07 56.10 1jnl s TYR 192 Cb -0.36 -1.00 0.03 0.00 -0.11 0.00 0.00 41.96 40.52 1jnl s TYR 192 CO 0.46 -0.36 -0.10 0.99 -1.11 0.00 0.00 175.55 175.44 1jnl s THR 193 N 1.34 1.27 -0.46 -0.71 2.01 -0.28 -2.62 115.64 116.18 1jnl s THR 193 Ca -0.03 -0.50 -0.16 0.00 0.31 0.00 0.00 61.69 61.30 1jnl s THR 193 Cb -0.14 -1.28 0.05 0.00 0.01 0.00 0.00 72.50 71.15 1jnl s THR 193 CO -0.03 0.35 0.43 0.00 -0.69 0.00 0.00 174.62 174.68 1jnl s GLU 195 N 1.90 3.39 -0.04 0.00 2.12 -1.00 -1.49 118.70 123.58 1jnl s GLU 195 Ca 0.07 -0.65 0.06 0.00 0.36 0.00 0.00 54.97 54.82 1jnl s GLU 195 Cb -0.22 -2.84 -0.02 0.00 0.26 0.00 0.00 34.13 31.32 1jnl s GLU 195 CO 0.09 0.00 -0.24 0.00 -0.54 0.00 0.00 175.26 174.58 1jnl s ALA 196 N 0.93 2.24 -0.25 6.30 0.00 0.54 -1.39 121.76 130.13 1jnl s ALA 196 Ca -0.01 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 1jnl s ALA 196 Cb -0.15 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.33 1jnl s ALA 196 CO 0.00 0.48 -0.07 0.99 0.00 0.00 0.00 175.76 177.16 1jnl s THR 197 N -0.42 2.77 0.00 0.00 2.01 0.57 0.36 115.64 120.93 1jnl s THR 197 Ca 0.04 -1.10 0.00 0.00 0.31 0.00 0.00 61.69 60.94 1jnl s THR 197 Cb -0.12 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 69.97 1jnl s THR 197 CO 0.01 0.18 0.00 1.57 -0.69 0.00 0.00 174.62 175.69 1jnl n HIS 198 N 4.64 0.00 0.01 4.92 -0.00 -1.26 -1.98 115.22 121.55 1jnl n HIS 198 Ca -0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.02 1jnl n HIS 198 Cb 0.46 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.34 1jnl n HIS 198 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1jnl n LYS 199 N 0.00 0.60 0.00 1.57 4.81 -1.26 -4.64 118.16 119.24 1jnl n LYS 199 Ca 0.00 -0.92 0.11 0.00 -0.87 0.00 0.00 58.31 56.62 1jnl n LYS 199 Cb 0.00 -1.01 -0.08 0.00 0.02 0.00 0.00 35.03 33.96 1jnl n LYS 199 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1jnl n THR 200 N -0.15 0.03 -3.77 3.15 -1.04 -1.26 -4.93 114.28 106.31 1jnl n THR 200 Ca 0.00 -0.16 -0.12 0.00 -2.04 0.00 0.00 64.05 61.73 1jnl n THR 200 Cb 0.11 0.58 -0.08 0.00 -1.82 0.00 0.00 70.33 69.12 1jnl n THR 200 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1jnl s SER 201 N -3.51 -0.14 0.18 8.00 0.01 -1.26 -5.01 113.70 111.97 1jnl s SER 201 Ca 0.04 -0.06 0.23 0.00 1.31 0.00 0.00 55.95 57.46 1jnl s SER 201 Cb 0.15 0.32 -0.02 0.00 0.21 0.00 0.00 66.02 66.68 1jnl s SER 201 CO 0.86 -0.51 1.00 1.07 0.41 0.00 0.00 173.24 176.07 1jnl n THR 202 N 1.01 0.55 -3.55 1.44 5.66 -1.26 -4.59 114.28 113.55 1jnl n THR 202 Ca -0.20 -0.53 -0.41 0.00 -3.05 0.00 0.00 64.05 59.86 1jnl n THR 202 Cb 0.57 -0.29 -0.11 0.00 -1.55 0.00 0.00 70.33 68.95 1jnl n THR 202 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1jnl s SER 203 N -5.23 5.90 0.26 1.09 0.01 -1.26 -5.06 113.70 109.41 1jnl s SER 203 Ca -0.01 -0.69 -0.30 0.00 1.31 0.00 0.00 55.95 56.26 1jnl s SER 203 Cb 0.10 -2.09 -0.14 0.00 0.21 0.00 0.00 66.02 64.10 1jnl s SER 203 CO 0.80 -0.31 1.23 -0.81 0.41 0.00 0.00 173.24 174.55 1jnl n PRO 204 N 5.07 1.70 -2.45 12.44 -0.04 -1.26 -4.97 135.00 145.49 1jnl n PRO 204 Ca -0.12 0.60 -0.42 0.00 -0.04 0.00 0.00 63.50 63.52 1jnl n PRO 204 Cb 0.48 -2.14 -0.03 0.00 -0.04 0.00 0.00 33.50 31.78 1jnl n PRO 204 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1jnl s ILE 205 N -0.56 4.21 -0.05 0.52 1.09 0.16 -4.84 121.20 121.74 1jnl s ILE 205 Ca 0.64 1.56 0.05 0.00 -1.10 0.00 0.00 60.65 61.80 1jnl s ILE 205 Cb -0.69 -4.00 -0.01 0.00 -1.06 0.00 0.00 42.46 36.71 1jnl s ILE 205 CO 0.55 0.03 -0.20 -0.69 -0.10 0.00 0.00 174.94 174.54 1jnl s VAL 206 N 1.88 1.67 -0.11 2.92 1.01 -1.26 0.20 120.40 126.70 1jnl s VAL 206 Ca 0.57 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 1jnl s VAL 206 Cb -0.26 -1.42 0.06 0.00 0.00 0.00 0.00 36.38 34.76 1jnl s VAL 206 CO 0.24 0.47 0.24 -0.54 0.00 0.00 0.00 175.10 175.52 1jnl s LYS 207 N -0.07 0.15 0.08 2.72 -0.14 -0.55 -5.02 119.74 116.91 1jnl s LYS 207 Ca -0.03 0.65 -0.15 0.00 -1.36 0.00 0.00 55.97 55.08 1jnl s LYS 207 Cb -0.12 -0.09 0.03 0.00 -1.68 0.00 0.00 37.83 35.96 1jnl s LYS 207 CO 0.02 -0.25 0.36 -1.54 -0.76 0.00 0.00 175.35 173.19 1jnl s SER 208 N 2.00 -0.19 0.09 2.83 1.04 -1.26 -1.45 113.70 116.77 1jnl s SER 208 Ca -0.02 -0.24 0.09 0.00 0.48 0.00 0.00 55.95 56.25 1jnl s SER 208 Cb -0.11 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 1jnl s SER 208 CO -0.08 -0.74 -0.23 0.72 0.98 0.00 0.00 173.24 173.89 1jnl s PHE 209 N -3.20 2.01 -0.16 5.02 -0.12 -1.08 -4.99 117.98 115.46 1jnl s PHE 209 Ca -0.01 -0.40 0.22 0.00 -0.05 0.00 0.00 56.93 56.69 1jnl s PHE 209 Cb 0.01 -1.13 -0.12 0.00 -0.63 0.00 0.00 43.02 41.15 1jnl s PHE 209 CO -0.08 0.22 0.83 0.09 -0.05 0.00 0.00 175.22 176.23 1jnl n ASN 210 N 1.26 0.58 0.00 1.98 4.13 -1.26 -1.77 115.26 120.17 1jnl n ASN 210 Ca -0.18 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.31 1jnl n ASN 210 Cb 0.53 0.89 0.00 0.00 -1.54 0.00 0.00 39.78 39.66 1jnl n ASN 210 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40