#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n43 n ILE 17 N 0.00 1.55 -1.96 -0.61 5.41 -1.26 -4.86 119.36 117.63 1n43 n ILE 17 Ca 0.00 -0.81 -0.41 0.00 1.00 0.00 0.00 62.75 62.53 1n43 n ILE 17 Cb 0.00 -0.89 -0.02 0.00 -0.71 0.00 0.00 39.64 38.02 1n43 n ILE 17 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1n43 s THR 18 N -2.56 2.43 -5.00 1.39 2.01 -1.26 -4.84 115.64 107.81 1n43 s THR 18 Ca -0.07 0.40 0.00 0.00 0.31 0.00 0.00 61.69 62.33 1n43 s THR 18 Cb 0.07 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 69.33 1n43 s THR 18 CO 0.82 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 175.45 1n43 n GLY 19 N 1.28 0.44 3.63 4.40 0.00 -1.07 -5.03 105.19 108.85 1n43 n GLY 19 Ca 0.03 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 43.87 1n43 n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n43 s THR 20 N -1.76 5.31 0.11 2.61 2.01 -1.26 -2.51 115.64 120.14 1n43 s THR 20 Ca 0.00 0.27 0.08 0.00 0.31 0.00 0.00 61.69 62.35 1n43 s THR 20 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1n43 s THR 20 CO 0.00 0.29 -0.14 0.26 -0.69 0.00 0.00 174.62 174.34 1n43 s TRP 21 N 1.41 2.64 -0.10 4.92 0.52 0.27 -4.64 118.94 123.96 1n43 s TRP 21 Ca 0.09 -0.21 0.02 0.00 0.02 0.00 0.00 56.10 56.03 1n43 s TRP 21 Cb -0.15 -1.40 0.01 0.00 -1.15 0.00 0.00 33.47 30.79 1n43 s TRP 21 CO 0.07 0.40 -0.16 0.71 0.02 0.00 0.00 176.95 177.99 1n43 s TYR 22 N -1.16 1.95 0.72 -1.98 2.02 -0.01 -0.96 117.35 117.92 1n43 s TYR 22 Ca 0.19 -0.86 -0.11 0.00 -0.37 0.00 0.00 57.07 55.93 1n43 s TYR 22 Cb -0.11 -1.39 0.02 0.00 -0.40 0.00 0.00 41.96 40.08 1n43 s TYR 22 CO 0.12 -0.42 1.07 0.00 -1.57 0.00 0.00 175.55 174.75 1n43 s ALA 23 N 0.81 2.66 0.58 3.71 0.00 -0.69 -2.03 121.76 126.79 1n43 s ALA 23 Ca -0.10 -0.11 0.27 0.00 0.00 0.00 0.00 51.96 52.02 1n43 s ALA 23 Cb -0.16 -3.11 1.59 0.00 0.00 0.00 0.00 23.12 21.44 1n43 s ALA 23 CO 0.01 -1.28 2.08 -0.56 0.00 0.00 0.00 175.76 176.02 1n43 h GLN 24 N -0.76 0.00 0.00 0.00 -0.00 -1.81 -1.11 115.11 111.43 1n43 h GLN 24 Ca -0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.19 1n43 h GLN 24 Cb 1.23 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.71 1n43 h GLN 24 CO 0.60 0.00 -0.05 -0.07 -0.00 0.00 0.00 178.83 179.30 1n43 h LEU 25 N 0.00 0.00 0.00 0.06 3.38 -1.91 -3.47 115.31 113.37 1n43 h LEU 25 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1n43 h LEU 25 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1n43 h LEU 25 CO -0.00 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1n43 n GLY 26 N 0.31 0.47 3.76 0.83 0.00 -0.42 -4.69 105.19 105.45 1n43 n GLY 26 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1n43 n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n43 s SER 27 N -2.13 5.46 -0.18 1.61 0.01 -1.26 -4.61 113.70 112.60 1n43 s SER 27 Ca 0.00 2.42 -0.03 0.00 1.31 0.00 0.00 55.95 59.65 1n43 s SER 27 Cb 0.00 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 1n43 s SER 27 CO 0.00 -1.41 -0.06 -0.89 0.41 0.00 0.00 173.24 171.29 1n43 s THR 28 N -1.54 3.46 -0.31 1.44 2.01 -0.06 -1.70 115.64 118.94 1n43 s THR 28 Ca 0.73 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 62.25 1n43 s THR 28 Cb -0.31 -2.53 0.07 0.00 0.01 0.00 0.00 72.50 69.73 1n43 s THR 28 CO 0.36 0.46 0.00 0.12 -0.69 0.00 0.00 174.62 174.87 1n43 s PHE 29 N 0.92 3.41 -0.36 4.92 5.36 -0.13 -1.20 117.98 130.88 1n43 s PHE 29 Ca -0.01 -2.31 -0.07 0.00 -0.96 0.00 0.00 56.93 53.59 1n43 s PHE 29 Cb -0.15 -2.36 0.06 0.00 -0.34 0.00 0.00 43.02 40.23 1n43 s PHE 29 CO 0.01 -0.88 0.15 0.42 -1.46 0.00 0.00 175.22 173.46 1n43 s ILE 30 N 1.12 3.83 0.06 3.12 1.01 -0.93 0.97 121.20 130.38 1n43 s ILE 30 Ca -0.02 -1.28 0.04 0.00 0.00 0.00 0.00 60.65 59.39 1n43 s ILE 30 Cb -0.20 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.99 1n43 s ILE 30 CO -0.04 -0.30 -0.11 0.54 0.00 0.00 0.00 174.94 175.03 1n43 s VAL 31 N 1.38 0.84 -0.11 2.92 0.11 -1.04 -1.43 120.40 123.07 1n43 s VAL 31 Ca 0.00 -1.25 0.02 0.00 -2.93 0.00 0.00 61.98 57.81 1n43 s VAL 31 Cb -0.21 -0.91 0.02 0.00 -1.53 0.00 0.00 36.38 33.75 1n43 s VAL 31 CO 0.02 -0.34 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.42 1n43 s THR 32 N -1.48 1.43 -0.38 5.04 2.01 0.36 -2.60 115.64 120.04 1n43 s THR 32 Ca -0.04 -0.60 -0.14 0.00 0.31 0.00 0.00 61.69 61.22 1n43 s THR 32 Cb -0.09 -1.32 0.00 0.00 0.01 0.00 0.00 72.50 71.10 1n43 s THR 32 CO 0.01 0.43 0.26 0.00 -0.69 0.00 0.00 174.62 174.63 1n43 s ALA 33 N 1.02 3.47 0.87 7.40 0.00 -1.26 -0.97 121.76 132.29 1n43 s ALA 33 Ca -0.06 -1.57 -0.12 0.00 0.00 0.00 0.00 51.96 50.21 1n43 s ALA 33 Cb -0.15 -2.76 0.11 0.00 0.00 0.00 0.00 23.12 20.33 1n43 s ALA 33 CO -0.02 -1.23 1.14 0.20 0.00 0.00 0.00 175.76 175.84 1n43 s GLY 34 N 1.69 1.59 0.22 0.00 0.00 0.61 -4.91 107.32 106.52 1n43 s GLY 34 Ca 0.05 -0.48 -0.03 0.00 0.00 0.00 0.00 44.72 44.26 1n43 s GLY 34 CO 0.10 0.04 1.64 0.00 0.00 0.00 0.00 173.10 174.87 1n43 h ALA 35 N -1.33 0.90 0.00 3.20 0.00 -1.98 -2.82 119.26 117.24 1n43 h ALA 35 Ca -0.49 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1n43 h ALA 35 Cb 1.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1n43 h ALA 35 CO 0.62 0.62 0.00 -0.40 0.00 0.00 0.00 179.25 180.09 1n43 n ASP 36 N -4.10 0.00 0.00 0.00 5.75 -1.26 -4.79 116.55 112.14 1n43 n ASP 36 Ca -0.00 -0.66 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 1n43 n ASP 36 Cb 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1n43 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n43 n GLY 37 N -0.01 0.50 3.85 6.12 0.00 -1.06 -5.04 105.19 109.55 1n43 n GLY 37 Ca 0.08 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 1n43 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n43 s ALA 38 N -2.00 3.34 -0.17 4.61 0.00 -1.25 -2.51 121.76 123.77 1n43 s ALA 38 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.97 1n43 s ALA 38 Cb 0.00 -2.75 -0.01 0.00 0.00 0.00 0.00 23.12 20.36 1n43 s ALA 38 CO 0.00 0.34 -0.09 -0.51 0.00 0.00 0.00 175.76 175.50 1n43 s LEU 39 N -2.91 2.78 0.02 0.00 1.02 -0.43 -0.29 118.68 118.88 1n43 s LEU 39 Ca 0.53 -0.36 -0.00 0.00 0.02 0.00 0.00 54.13 54.31 1n43 s LEU 39 Cb -0.11 -1.66 -0.02 0.00 0.02 0.00 0.00 46.19 44.42 1n43 s LEU 39 CO 0.18 0.08 -0.02 0.42 0.02 0.00 0.00 176.35 177.02 1n43 s THR 40 N 0.87 0.13 -5.00 5.49 -4.23 -0.15 -1.36 115.64 111.39 1n43 s THR 40 Ca -0.03 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 1n43 s THR 40 Cb -0.15 -0.49 0.00 0.00 1.34 0.00 0.00 72.50 73.20 1n43 s THR 40 CO 0.00 -0.58 0.00 0.61 -0.54 0.00 0.00 174.62 174.11 1n43 n GLY 41 N 1.33 -0.27 3.20 3.99 0.00 -1.22 0.14 105.19 112.35 1n43 n GLY 41 Ca -0.22 -1.15 -0.19 0.00 0.00 0.00 0.00 46.02 44.46 1n43 n GLY 41 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1n43 s THR 42 N -3.27 1.21 -0.01 2.61 -1.32 -0.52 -1.34 115.64 113.01 1n43 s THR 42 Ca 0.00 -1.40 0.05 0.00 -1.21 0.00 0.00 61.69 59.12 1n43 s THR 42 Cb 0.00 -1.20 -0.01 0.00 -1.51 0.00 0.00 72.50 69.77 1n43 s THR 42 CO 0.00 -0.24 -0.15 -0.47 -2.21 0.00 0.00 174.62 171.55 1n43 s TYR 43 N -1.41 1.32 -0.19 9.09 6.14 -0.19 -2.20 117.35 129.91 1n43 s TYR 43 Ca 0.01 -0.25 -0.03 0.00 0.64 0.00 0.00 57.07 57.44 1n43 s TYR 43 Cb -0.09 -0.85 0.06 0.00 0.42 0.00 0.00 41.96 41.50 1n43 s TYR 43 CO 0.03 -0.02 0.03 -2.00 0.64 0.00 0.00 175.55 174.23 1n43 s GLU 44 N -0.38 0.68 0.27 4.97 2.12 -0.35 -1.43 118.70 124.58 1n43 s GLU 44 Ca 0.06 -0.43 -0.25 0.00 0.36 0.00 0.00 54.97 54.71 1n43 s GLU 44 Cb -0.06 -2.10 -0.09 0.00 0.26 0.00 0.00 34.13 32.14 1n43 s GLU 44 CO -0.00 -0.63 0.86 0.45 -0.54 0.00 0.00 175.26 175.40 1n43 s SER 45 N 1.85 7.31 0.00 -1.70 0.15 -1.26 -0.88 113.70 119.16 1n43 s SER 45 Ca -0.01 1.71 0.28 0.00 0.70 0.00 0.00 55.95 58.63 1n43 s SER 45 Cb -0.17 -2.53 1.10 0.00 -1.71 0.00 0.00 66.02 62.71 1n43 s SER 45 CO -0.08 0.02 1.80 0.00 1.20 0.00 0.00 173.24 176.18 1n43 n ALA 46 N 0.85 2.79 -2.17 5.45 0.00 -1.26 -4.89 120.51 121.28 1n43 n ALA 46 Ca -0.01 -0.23 -0.11 0.00 0.00 0.00 0.00 53.44 53.09 1n43 n ALA 46 Cb 0.50 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 1n43 n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1n43 s VAL 47 N -2.72 0.15 0.00 0.00 -7.23 -1.26 -5.00 120.40 104.34 1n43 s VAL 47 Ca 0.21 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 1n43 s VAL 47 Cb 0.19 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.98 1n43 s VAL 47 CO 0.53 -0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 1n43 n GLY 48 N -0.15 -3.27 2.70 2.32 0.00 -1.26 -4.61 105.19 100.92 1n43 n GLY 48 Ca -0.04 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1n43 n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1n43 n ASN 49 N -0.30 4.72 -3.57 1.61 5.15 -1.26 -4.82 115.26 116.78 1n43 n ASN 49 Ca 0.00 -2.87 -0.17 0.00 -0.60 0.00 0.00 54.58 50.95 1n43 n ASN 49 Cb 0.00 -1.61 -0.07 0.00 -0.53 0.00 0.00 39.78 37.57 1n43 n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1n43 s ALA 50 N 2.49 -1.66 -0.07 5.20 0.00 -1.26 -4.52 121.76 121.94 1n43 s ALA 50 Ca 0.48 1.39 -0.10 0.00 0.00 0.00 0.00 51.96 53.73 1n43 s ALA 50 Cb 0.14 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.00 1n43 s ALA 50 CO -0.07 -0.35 0.26 -1.83 0.00 0.00 0.00 175.76 173.77 1n43 s GLU 51 N -0.80 0.41 3.33 0.00 -1.05 -1.26 -4.94 118.70 114.38 1n43 s GLU 51 Ca -0.08 0.15 0.00 0.00 -0.15 0.00 0.00 54.97 54.89 1n43 s GLU 51 Cb -0.02 0.19 0.00 0.00 -0.44 0.00 0.00 34.13 33.86 1n43 s GLU 51 CO 0.07 -0.08 0.00 0.45 0.95 0.00 0.00 175.26 176.66 1n43 n SER 52 N 2.41 -1.78 -4.87 0.83 2.88 -1.26 -4.82 113.62 107.01 1n43 n SER 52 Ca -0.16 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.04 1n43 n SER 52 Cb 0.57 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.98 1n43 n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1n43 s ARG 53 N 0.00 3.79 0.01 -1.46 0.52 -1.26 -4.49 118.95 116.06 1n43 s ARG 53 Ca 0.00 0.22 0.06 0.00 -0.52 0.00 0.00 55.73 55.48 1n43 s ARG 53 Cb 0.00 -2.89 -0.02 0.00 0.52 0.00 0.00 34.95 32.56 1n43 s ARG 53 CO 0.00 0.48 -0.18 0.71 0.02 0.00 0.00 175.30 176.33 1n43 s TYR 54 N -1.53 1.57 0.42 -0.53 2.02 -0.51 -4.86 117.35 113.92 1n43 s TYR 54 Ca 0.38 -0.33 -0.25 0.00 -0.37 0.00 0.00 57.07 56.51 1n43 s TYR 54 Cb -0.13 -0.98 -0.10 0.00 -0.40 0.00 0.00 41.96 40.35 1n43 s TYR 54 CO 0.20 0.02 1.17 0.28 -1.57 0.00 0.00 175.55 175.65 1n43 n VAL 55 N 2.30 2.56 -4.28 0.71 0.31 -1.26 -1.02 118.33 117.65 1n43 n VAL 55 Ca -0.16 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.48 1n43 n VAL 55 Cb 0.54 -1.40 -0.11 0.00 -0.91 0.00 0.00 33.84 31.95 1n43 n VAL 55 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1n43 s LEU 56 N -1.28 2.42 0.04 7.52 0.05 -0.45 -4.35 118.68 122.63 1n43 s LEU 56 Ca 0.62 -0.83 -0.07 0.00 0.05 0.00 0.00 54.13 53.89 1n43 s LEU 56 Cb -0.53 -0.65 -0.00 0.00 -2.05 0.00 0.00 46.19 42.95 1n43 s LEU 56 CO 0.57 -0.10 0.14 0.28 -0.55 0.00 0.00 176.35 176.69 1n43 s THR 57 N -2.12 0.12 0.00 5.48 -1.32 -0.77 -3.38 115.64 113.65 1n43 s THR 57 Ca 0.12 -0.97 0.00 0.00 -1.21 0.00 0.00 61.69 59.63 1n43 s THR 57 Cb -0.05 -0.86 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 1n43 s THR 57 CO 0.04 -0.53 0.00 0.61 -2.21 0.00 0.00 174.62 172.53 1n43 n GLY 58 N 0.79 1.33 3.06 6.08 0.00 -0.46 -0.05 105.19 115.93 1n43 n GLY 58 Ca -0.19 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 1n43 n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n43 s ARG 59 N -1.64 0.52 0.09 1.61 1.81 -0.31 -1.32 118.95 119.72 1n43 s ARG 59 Ca 0.00 -0.89 -0.07 0.00 -1.72 0.00 0.00 55.73 53.06 1n43 s ARG 59 Cb 0.00 -0.06 -0.01 0.00 -0.45 0.00 0.00 34.95 34.43 1n43 s ARG 59 CO 0.00 -0.02 0.14 1.52 -0.68 0.00 0.00 175.30 176.26 1n43 s TYR 60 N -2.23 0.28 -0.56 -0.53 1.13 -1.04 -0.62 117.35 113.77 1n43 s TYR 60 Ca -0.05 -0.73 -0.28 0.00 -1.41 0.00 0.00 57.07 54.60 1n43 s TYR 60 Cb -0.04 -0.15 0.03 0.00 -1.10 0.00 0.00 41.96 40.70 1n43 s TYR 60 CO -0.03 -0.52 1.15 0.34 -2.51 0.00 0.00 175.55 173.99 1n43 s ASP 61 N -2.89 6.45 0.43 -0.18 2.15 -0.37 -4.71 116.67 117.56 1n43 s ASP 61 Ca 0.07 0.09 0.29 0.00 0.43 0.00 0.00 52.55 53.43 1n43 s ASP 61 Cb 0.06 -2.54 1.11 0.00 -0.30 0.00 0.00 42.92 41.25 1n43 s ASP 61 CO -0.10 -1.42 1.85 0.77 -0.17 0.00 0.00 175.17 176.10 1n43 h SER 62 N 9.48 0.00 -2.20 -0.34 4.64 -1.92 -3.33 113.55 119.87 1n43 h SER 62 Ca -0.25 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.50 1n43 h SER 62 Cb 1.06 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.73 1n43 h SER 62 CO 1.17 0.00 -0.77 0.00 -0.87 0.00 0.00 176.83 176.36 1n43 n ALA 63 N -1.97 3.94 -0.72 5.18 0.00 -1.26 -5.10 120.51 120.57 1n43 n ALA 63 Ca 0.02 -4.39 -0.32 0.00 0.00 0.00 0.00 53.44 48.75 1n43 n ALA 63 Cb 0.31 -0.80 0.15 0.00 0.00 0.00 0.00 19.45 19.12 1n43 n ALA 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1n43 n PRO 64 N 0.12 -0.39 -0.59 0.00 -0.04 -1.25 -4.97 135.00 127.87 1n43 n PRO 64 Ca 0.29 -0.05 -0.30 0.00 -0.04 0.00 0.00 63.50 63.40 1n43 n PRO 64 Cb 0.45 -2.23 0.21 0.00 -0.04 0.00 0.00 33.50 31.89 1n43 n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n43 n ALA 65 N -4.03 -1.82 -1.87 0.55 0.00 -1.26 -4.96 120.51 107.12 1n43 n ALA 65 Ca 0.11 -0.84 -0.11 0.00 0.00 0.00 0.00 53.44 52.60 1n43 n ALA 65 Cb 0.52 -2.09 0.10 0.00 0.00 0.00 0.00 19.45 17.98 1n43 n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n43 n THR 66 N -4.55 2.33 -0.15 0.00 -2.24 -1.26 -4.67 114.28 103.75 1n43 n THR 66 Ca 0.08 -3.74 0.11 0.00 -2.27 0.00 0.00 64.05 58.23 1n43 n THR 66 Cb 0.53 -0.68 0.27 0.00 -2.10 0.00 0.00 70.33 68.35 1n43 n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1n43 n ASP 67 N -0.86 3.66 0.00 3.42 5.68 -1.26 -4.88 116.55 122.31 1n43 n ASP 67 Ca 0.32 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 1n43 n ASP 67 Cb 0.85 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 1n43 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n43 n GLY 68 N 1.45 0.71 3.77 6.12 0.00 -1.26 -5.07 105.19 110.91 1n43 n GLY 68 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1n43 n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n43 s SER 69 N -2.76 6.37 1.27 1.61 0.01 -1.26 -5.03 113.70 113.91 1n43 s SER 69 Ca 0.00 2.38 -0.21 0.00 1.31 0.00 0.00 55.95 59.43 1n43 s SER 69 Cb 0.00 -2.61 0.31 0.00 0.21 0.00 0.00 66.02 63.93 1n43 s SER 69 CO 0.00 -0.78 1.07 -0.83 0.41 0.00 0.00 173.24 173.11 1n43 s GLY 70 N -1.14 1.55 -0.26 3.44 0.00 -1.26 -4.75 107.32 104.89 1n43 s GLY 70 Ca 0.59 -0.98 -0.07 0.00 0.00 0.00 0.00 44.72 44.26 1n43 s GLY 70 CO 0.39 -0.04 0.07 -1.59 0.00 0.00 0.00 173.10 171.93 1n43 s THR 71 N -2.86 4.21 0.31 0.90 2.01 0.22 -4.71 115.64 115.72 1n43 s THR 71 Ca 0.71 -0.30 -0.28 0.00 0.31 0.00 0.00 61.69 62.12 1n43 s THR 71 Cb -0.09 -3.01 -0.09 0.00 0.01 0.00 0.00 72.50 69.31 1n43 s THR 71 CO 0.56 0.28 1.11 0.00 -0.69 0.00 0.00 174.62 175.89 1n43 s ALA 72 N 1.59 3.36 0.28 7.40 0.00 -1.26 0.15 121.76 133.27 1n43 s ALA 72 Ca 0.06 0.91 -0.19 0.00 0.00 0.00 0.00 51.96 52.73 1n43 s ALA 72 Cb -0.16 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.69 1n43 s ALA 72 CO 0.03 -0.23 0.90 -0.48 0.00 0.00 0.00 175.76 175.98 1n43 s LEU 73 N -1.68 -0.03 -0.11 0.00 2.34 -0.37 -1.23 118.68 117.59 1n43 s LEU 73 Ca 0.47 -0.85 -0.33 0.00 0.06 0.00 0.00 54.13 53.48 1n43 s LEU 73 Cb -0.31 2.48 0.12 0.00 -0.56 0.00 0.00 46.19 47.92 1n43 s LEU 73 CO 0.40 -1.32 1.14 -0.83 -1.06 0.00 0.00 176.35 174.69 1n43 s GLY 74 N -3.17 -0.34 0.32 -3.48 0.00 0.21 -1.33 107.32 99.52 1n43 s GLY 74 Ca 0.17 1.26 -0.08 0.00 0.00 0.00 0.00 44.72 46.07 1n43 s GLY 74 CO 0.08 0.40 0.54 0.66 0.00 0.00 0.00 173.10 174.77 1n43 s TRP 75 N -2.61 0.65 0.02 1.90 -2.14 -0.59 -1.16 118.94 115.01 1n43 s TRP 75 Ca 0.09 -1.01 0.02 0.00 2.66 0.00 0.00 56.10 57.86 1n43 s TRP 75 Cb -0.00 0.18 -0.01 0.00 -3.10 0.00 0.00 33.47 30.54 1n43 s TRP 75 CO -0.05 -1.17 -0.07 0.99 -2.66 0.00 0.00 176.95 173.99 1n43 s THR 76 N -3.22 0.50 -0.08 0.66 2.01 0.92 -1.48 115.64 114.95 1n43 s THR 76 Ca 0.25 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.65 1n43 s THR 76 Cb -0.01 -0.49 0.02 0.00 0.01 0.00 0.00 72.50 72.03 1n43 s THR 76 CO 0.15 -0.08 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.23 1n43 s VAL 77 N -0.66 0.91 -0.14 3.82 1.01 -0.26 -1.84 120.40 123.25 1n43 s VAL 77 Ca -0.03 -0.28 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 1n43 s VAL 77 Cb -0.05 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1n43 s VAL 77 CO 0.00 0.33 0.40 0.00 0.00 0.00 0.00 175.10 175.83 1n43 s ALA 78 N 1.28 3.53 -0.39 5.51 0.00 -1.26 -0.65 121.76 129.78 1n43 s ALA 78 Ca -0.04 -0.32 -0.05 0.00 0.00 0.00 0.00 51.96 51.56 1n43 s ALA 78 Cb -0.14 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 1n43 s ALA 78 CO -0.03 0.02 3.01 0.91 0.00 0.00 0.00 175.76 179.67 1n43 n TRP 79 N 3.69 1.19 -4.51 0.00 7.02 0.27 -4.77 117.44 120.33 1n43 n TRP 79 Ca -0.09 -1.88 -0.33 0.00 -1.02 0.00 0.00 57.50 54.18 1n43 n TRP 79 Cb 0.52 -1.49 -0.15 0.00 -2.42 0.00 0.00 31.31 27.76 1n43 n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1n43 s LYS 80 N -0.79 3.18 0.00 -0.99 2.20 -1.26 -1.34 119.74 120.74 1n43 s LYS 80 Ca 0.61 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 55.46 1n43 s LYS 80 Cb 0.35 -2.61 0.00 0.00 -1.51 0.00 0.00 37.83 34.06 1n43 s LYS 80 CO -0.15 -0.01 0.00 0.27 -0.36 0.00 0.00 175.35 175.11 1n43 n ASN 81 N 4.11 0.11 0.13 1.43 0.23 0.14 -4.81 115.26 116.61 1n43 n ASN 81 Ca -0.19 -0.52 0.13 0.00 -0.53 0.00 0.00 54.58 53.47 1n43 n ASN 81 Cb 0.52 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 38.66 1n43 n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1n43 h ASN 82 N 0.00 0.00 0.21 0.53 -0.26 -1.95 -3.21 115.58 110.90 1n43 h ASN 82 Ca 0.00 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.40 1n43 h ASN 82 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 37.20 1n43 h ASN 82 CO 0.00 0.00 -2.09 -1.22 -1.06 0.00 0.00 177.43 173.06 1n43 n TYR 83 N -2.31 0.46 -3.80 1.19 4.01 -1.26 -5.04 117.16 110.41 1n43 n TYR 83 Ca 0.04 0.16 -0.04 0.00 -0.16 0.00 0.00 57.90 57.90 1n43 n TYR 83 Cb 0.34 -1.08 -0.00 0.00 -0.31 0.00 0.00 39.34 38.28 1n43 n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1n43 s ARG 84 N -2.54 1.37 -0.16 -0.72 1.70 -1.21 -5.10 118.95 112.29 1n43 s ARG 84 Ca -0.09 -0.81 -0.04 0.00 -0.47 0.00 0.00 55.73 54.32 1n43 s ARG 84 Cb 0.07 0.43 0.07 0.00 -0.57 0.00 0.00 34.95 34.96 1n43 s ARG 84 CO 0.82 -0.64 0.19 1.21 -1.08 0.00 0.00 175.30 175.80 1n43 s ASN 85 N -3.08 1.33 0.00 -2.89 3.84 -1.26 -0.68 114.94 112.20 1n43 s ASN 85 Ca 0.15 -0.11 0.26 0.00 0.21 0.00 0.00 52.86 53.37 1n43 s ASN 85 Cb -0.02 0.27 0.68 0.00 -0.55 0.00 0.00 41.25 41.62 1n43 s ASN 85 CO 0.04 -0.31 1.53 0.00 -2.79 0.00 0.00 177.10 175.57 1n43 n ALA 86 N 5.32 2.72 -3.93 1.71 0.00 -0.45 -4.96 120.51 120.92 1n43 n ALA 86 Ca -0.06 -0.52 -0.30 0.00 0.00 0.00 0.00 53.44 52.57 1n43 n ALA 86 Cb 0.50 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 1n43 n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1n43 n HIS 87 N 0.33 -1.66 -3.73 0.00 -0.00 -1.26 -4.85 115.22 104.06 1n43 n HIS 87 Ca 0.16 0.59 -0.10 0.00 -0.00 0.00 0.00 57.72 58.37 1n43 n HIS 87 Cb 0.43 -3.50 -0.05 0.00 -0.00 0.00 0.00 29.99 26.88 1n43 n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1n43 s SER 88 N -4.06 -0.18 -0.05 0.41 1.04 -1.26 -1.29 113.70 108.31 1n43 s SER 88 Ca 0.17 -0.47 -0.05 0.00 0.48 0.00 0.00 55.95 56.08 1n43 s SER 88 Cb -0.07 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.55 1n43 s SER 88 CO 0.90 -0.91 0.15 0.00 0.98 0.00 0.00 173.24 174.36 1n43 s ALA 89 N -3.85 -0.37 -0.06 5.32 0.00 -0.46 0.97 121.76 123.31 1n43 s ALA 89 Ca 0.07 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.42 1n43 s ALA 89 Cb 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1n43 s ALA 89 CO -0.08 -0.08 -0.08 0.99 0.00 0.00 0.00 175.76 176.51 1n43 s THR 90 N -0.04 3.61 -0.07 0.00 2.01 0.18 -1.25 115.64 120.08 1n43 s THR 90 Ca -0.01 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.48 1n43 s THR 90 Cb -0.02 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 1n43 s THR 90 CO 0.00 0.57 -0.20 0.42 -0.69 0.00 0.00 174.62 174.72 1n43 s THR 91 N -0.83 2.50 -0.17 -0.82 -4.23 0.33 -1.10 115.64 111.32 1n43 s THR 91 Ca 0.13 -0.90 -0.06 0.00 -1.18 0.00 0.00 61.69 59.68 1n43 s THR 91 Cb -0.11 -1.96 -0.03 0.00 1.34 0.00 0.00 72.50 71.74 1n43 s THR 91 CO 0.02 0.56 0.01 0.26 -0.54 0.00 0.00 174.62 174.94 1n43 s TRP 92 N -0.16 3.14 -0.09 3.99 0.51 -0.55 -0.69 118.94 125.09 1n43 s TRP 92 Ca -0.02 -0.11 0.03 0.00 -2.12 0.00 0.00 56.10 53.88 1n43 s TRP 92 Cb -0.14 -2.02 0.01 0.00 -0.81 0.00 0.00 33.47 30.51 1n43 s TRP 92 CO 0.04 0.06 -0.18 0.45 -0.51 0.00 0.00 176.95 176.81 1n43 s SER 93 N 0.36 2.49 0.00 2.95 0.15 0.13 -1.55 113.70 118.23 1n43 s SER 93 Ca -0.01 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1n43 s SER 93 Cb -0.13 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 1n43 s SER 93 CO 0.02 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1n43 n GLY 94 N 3.75 1.85 3.18 9.45 0.00 -0.44 -1.43 105.19 121.55 1n43 n GLY 94 Ca -0.21 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 1n43 n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n43 s GLN 95 N 1.66 0.52 -0.09 1.61 -2.07 0.19 -1.24 119.66 120.24 1n43 s GLN 95 Ca 0.00 -0.07 -0.22 0.00 -1.82 0.00 0.00 55.36 53.24 1n43 s GLN 95 Cb 0.00 0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 32.12 1n43 s GLN 95 CO 0.00 -0.12 0.66 -0.47 -1.32 0.00 0.00 175.29 174.04 1n43 s TYR 96 N -0.90 3.54 -0.31 9.60 5.04 0.39 -1.92 117.35 132.79 1n43 s TYR 96 Ca -0.10 1.16 -0.03 0.00 -2.44 0.00 0.00 57.07 55.66 1n43 s TYR 96 Cb -0.05 -2.77 0.05 0.00 0.35 0.00 0.00 41.96 39.54 1n43 s TYR 96 CO 0.02 0.07 0.04 0.08 -1.34 0.00 0.00 175.55 174.42 1n43 s VAL 97 N 0.91 3.28 0.00 3.14 1.01 -0.39 0.70 120.40 129.05 1n43 s VAL 97 Ca 0.35 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1n43 s VAL 97 Cb -0.17 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1n43 s VAL 97 CO 0.16 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1n43 n GLY 98 N 4.69 -0.72 7.00 4.51 0.00 -1.26 -0.91 105.19 118.50 1n43 n GLY 98 Ca -0.13 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1n43 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n43 n GLY 99 N 5.00 -0.03 0.00 -0.02 0.00 -1.26 -4.59 105.19 104.29 1n43 n GLY 99 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1n43 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n43 n ALA 100 N 3.17 0.00 -1.50 4.61 0.00 -1.26 -1.58 120.51 123.94 1n43 n ALA 100 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1n43 n ALA 100 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1n43 n ALA 100 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1n43 n GLU 101 N 0.00 0.28 -1.51 0.00 0.28 -1.26 -4.80 120.64 113.63 1n43 n GLU 101 Ca 0.00 -0.55 -0.47 0.00 -0.16 0.00 0.00 57.16 55.98 1n43 n GLU 101 Cb 0.00 -2.55 -0.02 0.00 1.43 0.00 0.00 31.44 30.30 1n43 n GLU 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1n43 n ALA 102 N 13.06 -1.41 -3.53 -1.84 0.00 -0.62 -4.97 120.51 121.20 1n43 n ALA 102 Ca 0.51 0.42 -0.10 0.00 0.00 0.00 0.00 53.44 54.28 1n43 n ALA 102 Cb 0.33 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 1n43 n ALA 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1n43 s ARG 103 N -1.19 1.48 -0.18 0.00 1.70 -0.09 -4.32 118.95 116.36 1n43 s ARG 103 Ca 0.63 -0.77 0.00 0.00 -0.47 0.00 0.00 55.73 55.12 1n43 s ARG 103 Cb -0.82 0.58 0.01 0.00 -0.57 0.00 0.00 34.95 34.15 1n43 s ARG 103 CO 0.58 -0.66 -0.18 0.42 -1.08 0.00 0.00 175.30 174.38 1n43 s ILE 104 N -3.85 2.30 -0.22 4.99 1.01 0.27 -1.26 121.20 124.44 1n43 s ILE 104 Ca 0.07 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 1n43 s ILE 104 Cb -0.03 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1n43 s ILE 104 CO -0.03 0.52 0.06 0.20 0.00 0.00 0.00 174.94 175.69 1n43 s ASN 105 N 1.22 5.31 0.11 3.58 0.01 -0.81 0.41 114.94 124.78 1n43 s ASN 105 Ca 0.03 -0.09 0.02 0.00 -0.71 0.00 0.00 52.86 52.11 1n43 s ASN 105 Cb -0.14 -1.93 -0.04 0.00 0.41 0.00 0.00 41.25 39.55 1n43 s ASN 105 CO -0.09 0.05 -0.07 0.42 -1.51 0.00 0.00 177.10 175.90 1n43 s THR 106 N 1.09 0.80 0.10 1.60 -4.23 -0.63 -0.63 115.64 113.74 1n43 s THR 106 Ca 0.04 -1.97 0.10 0.00 -1.18 0.00 0.00 61.69 58.69 1n43 s THR 106 Cb -0.14 -1.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.93 1n43 s THR 106 CO 0.03 -0.84 -0.26 -1.10 -0.54 0.00 0.00 174.62 171.91 1n43 s GLN 107 N -3.82 1.50 0.05 3.99 -0.21 -0.51 -1.66 119.66 119.01 1n43 s GLN 107 Ca 0.13 -1.25 -0.03 0.00 0.02 0.00 0.00 55.36 54.24 1n43 s GLN 107 Cb 0.05 -1.87 -0.03 0.00 1.00 0.00 0.00 33.01 32.16 1n43 s GLN 107 CO -0.03 0.46 0.02 1.67 -2.12 0.00 0.00 175.29 175.29 1n43 s TRP 108 N -0.98 0.40 -0.13 0.91 1.48 0.76 -0.69 118.94 120.69 1n43 s TRP 108 Ca 0.12 -0.88 0.01 0.00 -1.06 0.00 0.00 56.10 54.29 1n43 s TRP 108 Cb -0.10 -0.29 0.02 0.00 -1.16 0.00 0.00 33.47 31.94 1n43 s TRP 108 CO 0.04 -0.39 -0.13 -0.51 -4.06 0.00 0.00 176.95 171.90 1n43 s LEU 109 N -2.71 1.59 -0.41 -4.66 1.43 0.14 -1.60 118.68 112.46 1n43 s LEU 109 Ca 0.03 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 52.67 1n43 s LEU 109 Cb 0.05 -1.07 0.11 0.00 0.03 0.00 0.00 46.19 45.30 1n43 s LEU 109 CO -0.09 -0.05 0.21 -0.22 0.23 0.00 0.00 176.35 176.44 1n43 s LEU 110 N 1.38 5.23 -0.17 1.79 2.96 -0.54 -0.52 118.68 128.83 1n43 s LEU 110 Ca 0.02 -1.95 -0.12 0.00 -0.22 0.00 0.00 54.13 51.85 1n43 s LEU 110 Cb -0.13 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 1n43 s LEU 110 CO -0.07 -0.55 0.22 -0.89 -1.32 0.00 0.00 176.35 173.74 1n43 s THR 111 N 1.19 5.35 -0.08 3.68 2.01 -0.38 -0.73 115.64 126.68 1n43 s THR 111 Ca 0.07 0.39 -0.04 0.00 0.31 0.00 0.00 61.69 62.42 1n43 s THR 111 Cb -0.23 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 1n43 s THR 111 CO -0.03 0.43 0.10 -0.44 -0.69 0.00 0.00 174.62 173.99 1n43 s SER 112 N 0.24 5.99 0.29 3.53 0.01 0.57 -1.36 113.70 122.98 1n43 s SER 112 Ca 0.13 0.32 -0.30 0.00 1.31 0.00 0.00 55.95 57.42 1n43 s SER 112 Cb -0.12 -1.85 -0.11 0.00 0.21 0.00 0.00 66.02 64.15 1n43 s SER 112 CO 0.02 0.36 1.52 -0.83 0.41 0.00 0.00 173.24 174.73 1n43 s GLY 113 N -1.22 2.33 0.15 3.44 0.00 -0.41 -4.83 107.32 106.78 1n43 s GLY 113 Ca 0.17 1.49 -0.08 0.00 0.00 0.00 0.00 44.72 46.31 1n43 s GLY 113 CO 0.07 2.41 0.26 -0.51 0.00 0.00 0.00 173.10 175.33 1n43 s THR 114 N -0.22 0.08 1.18 0.90 -4.23 -1.26 -5.02 115.64 107.07 1n43 s THR 114 Ca 0.60 -1.41 -0.13 0.00 -1.18 0.00 0.00 61.69 59.57 1n43 s THR 114 Cb -0.46 -1.81 0.30 0.00 1.34 0.00 0.00 72.50 71.87 1n43 s THR 114 CO 0.49 -0.34 1.02 0.42 -0.54 0.00 0.00 174.62 175.67 1n43 s THR 115 N -3.96 2.00 0.10 3.99 -4.23 -1.26 -4.84 115.64 107.43 1n43 s THR 115 Ca 0.17 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.46 1n43 s THR 115 Cb 0.04 -2.05 -0.12 0.00 1.34 0.00 0.00 72.50 71.70 1n43 s THR 115 CO -0.01 -0.00 1.72 -0.33 -0.54 0.00 0.00 174.62 175.47 1n43 h GLU 116 N -2.69 0.11 -0.84 3.99 4.39 -2.01 -2.55 114.58 114.98 1n43 h GLU 116 Ca -0.63 -0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.22 1n43 h GLU 116 Cb 1.34 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.90 1n43 h GLU 116 CO 0.51 0.10 0.55 0.00 -1.16 0.00 0.00 179.01 179.01 1n43 h ALA 117 N 1.00 2.03 -0.66 3.43 0.00 -2.07 -1.86 119.26 121.13 1n43 h ALA 117 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1n43 h ALA 117 Cb 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1n43 h ALA 117 CO -0.01 -0.27 0.00 0.09 0.00 0.00 0.00 179.25 179.07 1n43 n ASN 118 N -4.52 3.71 0.28 0.00 3.02 -1.07 -4.42 115.26 112.26 1n43 n ASN 118 Ca 0.17 -2.00 0.15 0.00 -0.03 0.00 0.00 54.58 52.87 1n43 n ASN 118 Cb 0.55 -0.44 0.82 0.00 -0.61 0.00 0.00 39.78 40.11 1n43 n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n43 h ALA 119 N 4.33 1.27 0.00 5.41 0.00 -0.92 -2.48 119.26 126.86 1n43 h ALA 119 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1n43 h ALA 119 Cb 0.95 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1n43 h ALA 119 CO 0.00 0.09 -0.02 0.11 0.00 0.00 0.00 179.25 179.43 1n43 h TRP 120 N 0.00 0.00 -0.27 0.00 5.08 -1.81 -1.60 115.95 117.35 1n43 h TRP 120 Ca -0.00 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.88 1n43 h TRP 120 Cb 0.24 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.35 1n43 h TRP 120 CO 0.00 0.02 -0.04 0.36 -1.28 0.00 0.00 178.44 177.50 1n43 n LYS 121 N -3.21 2.21 0.14 0.12 2.85 -0.93 -4.67 118.16 114.68 1n43 n LYS 121 Ca -0.02 -2.99 0.12 0.00 -1.05 0.00 0.00 58.31 54.38 1n43 n LYS 121 Cb 0.17 -1.79 0.28 0.00 -0.65 0.00 0.00 35.03 33.04 1n43 n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1n43 h SER 122 N 1.22 0.00 -3.19 -5.58 4.64 -1.34 -3.46 113.55 105.84 1n43 h SER 122 Ca 0.11 -0.02 -0.56 0.00 -0.47 0.00 0.00 61.79 60.85 1n43 h SER 122 Cb 1.50 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.23 1n43 h SER 122 CO 0.28 0.01 -0.82 -0.89 -0.87 0.00 0.00 176.83 174.54 1n43 s THR 123 N -3.16 1.27 0.28 2.95 2.01 -1.26 -0.31 115.64 117.41 1n43 s THR 123 Ca 0.08 -0.46 -0.03 0.00 0.31 0.00 0.00 61.69 61.59 1n43 s THR 123 Cb 0.10 -1.22 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 1n43 s THR 123 CO 0.64 0.40 0.52 -0.76 -0.69 0.00 0.00 174.62 174.73 1n43 s LEU 124 N 1.46 4.09 0.02 4.42 1.43 0.09 -4.93 118.68 125.26 1n43 s LEU 124 Ca 0.02 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 1n43 s LEU 124 Cb -0.13 -3.43 -0.01 0.00 0.03 0.00 0.00 46.19 42.65 1n43 s LEU 124 CO -0.07 -0.17 -0.07 0.54 0.23 0.00 0.00 176.35 176.81 1n43 s VAL 125 N -2.06 0.49 0.00 -1.59 0.11 -1.26 -1.47 120.40 114.62 1n43 s VAL 125 Ca 0.42 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 1n43 s VAL 125 Cb -0.11 -0.48 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1n43 s VAL 125 CO 0.30 -0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.57 1n43 n GLY 126 N 2.25 2.73 2.79 6.54 0.00 -0.62 -4.98 105.19 113.91 1n43 n GLY 126 Ca -0.17 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 1n43 n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1n43 s HIS 127 N -4.76 -0.00 -0.11 1.61 -3.43 -1.26 -0.17 115.29 107.17 1n43 s HIS 127 Ca 0.00 0.20 0.02 0.00 -0.80 0.00 0.00 55.06 54.49 1n43 s HIS 127 Cb 0.00 -0.23 -0.01 0.00 -1.43 0.00 0.00 32.58 30.91 1n43 s HIS 127 CO 0.00 -0.11 -0.19 -0.51 -2.00 0.00 0.00 174.74 171.93 1n43 s ASP 128 N 1.18 3.56 -0.19 7.38 1.01 -0.67 -4.94 116.67 123.99 1n43 s ASP 128 Ca -0.08 -0.43 -0.06 0.00 0.71 0.00 0.00 52.55 52.69 1n43 s ASP 128 Cb -0.13 -1.43 -0.03 0.00 1.01 0.00 0.00 42.92 42.34 1n43 s ASP 128 CO -0.04 0.18 0.01 -0.89 0.21 0.00 0.00 175.17 174.65 1n43 s THR 129 N 0.25 4.18 -0.13 -1.27 2.01 -1.26 -1.61 115.64 117.81 1n43 s THR 129 Ca -0.13 -0.24 -0.03 0.00 0.31 0.00 0.00 61.69 61.60 1n43 s THR 129 Cb -0.16 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 1n43 s THR 129 CO 0.07 0.44 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.07 1n43 s PHE 130 N 0.78 3.12 0.34 4.92 0.40 0.16 -2.29 117.98 125.42 1n43 s PHE 130 Ca 0.01 0.00 0.03 0.00 -0.60 0.00 0.00 56.93 56.38 1n43 s PHE 130 Cb -0.14 -1.89 -0.05 0.00 0.51 0.00 0.00 43.02 41.44 1n43 s PHE 130 CO 0.02 0.24 0.08 -0.08 0.70 0.00 0.00 175.22 176.18 1n43 s THR 131 N -0.24 0.96 -1.39 0.64 -1.32 -0.86 0.93 115.64 114.36 1n43 s THR 131 Ca 0.05 -2.00 0.25 0.00 -1.21 0.00 0.00 61.69 58.79 1n43 s THR 131 Cb -0.12 -2.66 0.10 0.00 -1.51 0.00 0.00 72.50 68.31 1n43 s THR 131 CO 0.02 0.00 1.42 0.29 -2.21 0.00 0.00 174.62 174.14 1n43 n LYS 132 N -0.72 0.44 0.00 7.08 5.02 -1.26 -0.83 118.16 127.89 1n43 n LYS 132 Ca -0.03 -0.28 0.16 0.00 -2.02 0.00 0.00 58.31 56.14 1n43 n LYS 132 Cb 0.66 -1.49 0.86 0.00 -0.02 0.00 0.00 35.03 35.04 1n43 n LYS 132 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21