#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n43 h ILE 17 N 0.00 1.45 -3.51 -0.61 2.04 -1.97 -3.47 117.51 111.44 1n43 h ILE 17 Ca 0.00 -3.14 -0.53 0.00 1.00 0.00 0.00 64.86 62.20 1n43 h ILE 17 Cb 0.00 2.80 0.06 0.00 -0.74 0.00 0.00 36.82 38.94 1n43 h ILE 17 CO 0.00 0.86 0.73 -0.89 0.00 0.00 0.00 178.15 178.86 1n43 s THR 18 N -2.67 2.65 -2.17 -0.27 2.01 -1.26 -4.81 115.64 109.13 1n43 s THR 18 Ca -0.03 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.55 1n43 s THR 18 Cb 0.08 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.23 1n43 s THR 18 CO 0.84 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 175.48 1n43 n GLY 19 N 1.83 0.66 3.71 4.40 0.00 0.19 -4.99 105.19 111.00 1n43 n GLY 19 Ca 0.05 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.12 5.15 0.12 2.61 2.01 -1.26 -1.95 115.64 121.19 1n43 s THR 20 Ca 0.00 1.05 0.09 0.00 0.31 0.00 0.00 61.69 63.14 1n43 s THR 20 Cb 0.00 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1n43 s THR 20 CO 0.00 0.29 -0.22 0.26 -0.69 0.00 0.00 174.62 174.26 1n43 s TRP 21 N 0.81 1.91 -0.13 4.92 0.52 0.88 -4.67 118.94 123.19 1n43 s TRP 21 Ca 0.28 -0.41 0.01 0.00 0.02 0.00 0.00 56.10 56.00 1n43 s TRP 21 Cb -0.16 -1.03 0.02 0.00 -1.15 0.00 0.00 33.47 31.15 1n43 s TRP 21 CO 0.12 0.26 -0.15 0.71 0.02 0.00 0.00 176.95 177.90 1n43 s TYR 22 N -1.25 2.10 0.49 -1.98 2.02 0.76 -1.71 117.35 117.77 1n43 s TYR 22 Ca 0.09 -1.07 -0.14 0.00 -0.37 0.00 0.00 57.07 55.59 1n43 s TYR 22 Cb -0.09 -1.52 -0.07 0.00 -0.40 0.00 0.00 41.96 39.88 1n43 s TYR 22 CO 0.05 -0.56 0.92 0.00 -1.57 0.00 0.00 175.55 174.38 1n43 s ALA 23 N 1.16 3.17 0.61 3.71 0.00 -0.55 -0.57 121.76 129.30 1n43 s ALA 23 Ca -0.02 0.00 0.30 0.00 0.00 0.00 0.00 51.96 52.24 1n43 s ALA 23 Cb -0.14 -2.96 1.66 0.00 0.00 0.00 0.00 23.12 21.67 1n43 s ALA 23 CO -0.05 -0.22 2.02 -0.56 0.00 0.00 0.00 175.76 176.95 1n43 h GLN 24 N 0.85 0.00 0.00 0.00 -0.00 -1.80 -0.54 115.11 113.63 1n43 h GLN 24 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.18 1n43 h GLN 24 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.67 1n43 h GLN 24 CO 0.62 0.00 0.00 -0.07 -0.00 0.00 0.00 178.83 179.38 1n43 h LEU 25 N 0.00 0.00 0.00 0.06 3.38 -1.92 -3.46 115.31 113.37 1n43 h LEU 25 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1n43 h LEU 25 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1n43 h LEU 25 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1n43 n GLY 26 N 0.61 2.05 3.75 0.83 0.00 -0.21 -4.83 105.19 107.39 1n43 n GLY 26 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.89 5.03 -0.08 1.61 0.01 -1.26 -4.73 113.70 112.39 1n43 s SER 27 Ca 0.00 2.39 0.04 0.00 1.31 0.00 0.00 55.95 59.69 1n43 s SER 27 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1n43 s SER 27 CO 0.00 -1.70 -0.19 -0.89 0.41 0.00 0.00 173.24 170.86 1n43 s THR 28 N -1.65 1.69 -0.25 1.44 2.01 -0.70 -1.48 115.64 116.70 1n43 s THR 28 Ca 0.77 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 1n43 s THR 28 Cb -0.30 -1.48 0.01 0.00 0.01 0.00 0.00 72.50 70.74 1n43 s THR 28 CO 0.35 0.48 -0.01 0.12 -0.69 0.00 0.00 174.62 174.87 1n43 s PHE 29 N 0.40 3.05 -0.21 4.92 5.36 -0.70 0.25 117.98 131.05 1n43 s PHE 29 Ca -0.15 -1.13 -0.04 0.00 -0.96 0.00 0.00 56.93 54.65 1n43 s PHE 29 Cb -0.16 -2.13 -0.01 0.00 -0.34 0.00 0.00 43.02 40.37 1n43 s PHE 29 CO 0.06 -0.61 -0.04 0.42 -1.46 0.00 0.00 175.22 173.59 1n43 s ILE 30 N 1.44 3.46 -0.03 3.12 1.09 -0.00 -0.08 121.20 130.19 1n43 s ILE 30 Ca 0.03 -0.47 -0.11 0.00 -1.10 0.00 0.00 60.65 59.00 1n43 s ILE 30 Cb -0.16 -2.56 0.02 0.00 -1.06 0.00 0.00 42.46 38.70 1n43 s ILE 30 CO -0.02 0.43 0.25 0.54 -0.10 0.00 0.00 174.94 176.04 1n43 s VAL 31 N 1.32 0.05 -0.08 2.92 0.11 -0.82 -0.43 120.40 123.47 1n43 s VAL 31 Ca 0.04 -0.43 0.04 0.00 -2.93 0.00 0.00 61.98 58.71 1n43 s VAL 31 Cb -0.14 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.19 1n43 s VAL 31 CO -0.02 -0.23 -0.22 0.28 -3.33 0.00 0.00 175.10 171.58 1n43 s THR 32 N -1.00 2.34 -0.30 5.04 -1.32 0.32 0.56 115.64 121.27 1n43 s THR 32 Ca -0.11 -0.95 -0.07 0.00 -1.21 0.00 0.00 61.69 59.35 1n43 s THR 32 Cb -0.05 -1.89 0.01 0.00 -1.51 0.00 0.00 72.50 69.06 1n43 s THR 32 CO 0.03 0.56 0.09 0.00 -2.21 0.00 0.00 174.62 173.09 1n43 s ALA 33 N -0.03 3.09 0.53 11.08 0.00 -1.26 -1.53 121.76 133.63 1n43 s ALA 33 Ca -0.06 -1.48 -0.13 0.00 0.00 0.00 0.00 51.96 50.28 1n43 s ALA 33 Cb -0.15 -2.19 -0.06 0.00 0.00 0.00 0.00 23.12 20.72 1n43 s ALA 33 CO 0.05 -0.98 0.96 0.20 0.00 0.00 0.00 175.76 175.99 1n43 s GLY 34 N 1.50 1.90 0.53 0.00 0.00 -0.13 -4.90 107.32 106.21 1n43 s GLY 34 Ca 0.02 0.01 0.29 0.00 0.00 0.00 0.00 44.72 45.04 1n43 s GLY 34 CO 0.03 0.26 2.05 0.00 0.00 0.00 0.00 173.10 175.45 1n43 h ALA 35 N 0.56 1.18 -0.40 3.20 0.00 -1.98 -2.13 119.26 119.68 1n43 h ALA 35 Ca -0.46 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 1n43 h ALA 35 Cb 1.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1n43 h ALA 35 CO 0.62 0.14 0.02 0.38 0.00 0.00 0.00 179.25 180.41 1n43 h ASP 36 N 0.00 0.59 0.00 0.00 2.03 -2.00 -3.46 116.42 113.59 1n43 h ASP 36 Ca -0.00 -0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.18 1n43 h ASP 36 Cb 0.39 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.73 1n43 h ASP 36 CO 0.01 0.65 0.00 0.61 -1.03 0.00 0.00 179.24 179.48 1n43 n GLY 37 N -0.83 0.31 3.83 7.15 0.00 -0.80 -4.86 105.19 109.99 1n43 n GLY 37 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.09 3.19 -0.14 4.61 0.00 -1.25 -2.05 121.76 125.04 1n43 s ALA 38 Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.19 1n43 s ALA 38 Cb 0.00 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.18 1n43 s ALA 38 CO 0.00 0.24 -0.20 -0.51 0.00 0.00 0.00 175.76 175.29 1n43 s LEU 39 N -3.05 2.02 -0.00 0.00 1.02 -0.43 -0.96 118.68 117.28 1n43 s LEU 39 Ca 0.58 -0.57 0.02 0.00 0.02 0.00 0.00 54.13 54.17 1n43 s LEU 39 Cb -0.10 -1.37 -0.00 0.00 0.02 0.00 0.00 46.19 44.74 1n43 s LEU 39 CO 0.15 0.06 -0.05 -0.89 0.02 0.00 0.00 176.35 175.64 1n43 s THR 40 N 0.92 0.42 -4.16 5.49 2.01 -0.58 -1.66 115.64 118.07 1n43 s THR 40 Ca -0.05 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1n43 s THR 40 Cb -0.15 -0.36 0.00 0.00 0.01 0.00 0.00 72.50 72.00 1n43 s THR 40 CO -0.03 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 1n43 n GLY 41 N 2.90 -0.53 3.09 4.40 0.00 -0.86 -0.53 105.19 113.66 1n43 n GLY 41 Ca -0.13 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.59 0.05 -0.04 2.61 -1.32 0.43 -0.69 115.64 113.08 1n43 s THR 42 Ca 0.00 -0.37 0.05 0.00 -1.21 0.00 0.00 61.69 60.16 1n43 s THR 42 Cb 0.00 -0.36 -0.01 0.00 -1.51 0.00 0.00 72.50 70.63 1n43 s THR 42 CO 0.00 -0.21 -0.19 -0.47 -2.21 0.00 0.00 174.62 171.55 1n43 s TYR 43 N -0.72 1.85 -0.31 9.09 6.14 0.20 -0.82 117.35 132.78 1n43 s TYR 43 Ca -0.08 -0.51 -0.01 0.00 0.64 0.00 0.00 57.07 57.11 1n43 s TYR 43 Cb -0.05 -1.23 0.06 0.00 0.42 0.00 0.00 41.96 41.16 1n43 s TYR 43 CO 0.01 -0.15 0.01 -2.00 0.64 0.00 0.00 175.55 174.06 1n43 s GLU 44 N -0.08 2.37 0.26 4.97 2.12 0.14 -1.71 118.70 126.77 1n43 s GLU 44 Ca -0.02 -1.32 -0.22 0.00 0.36 0.00 0.00 54.97 53.77 1n43 s GLU 44 Cb -0.11 -3.20 -0.09 0.00 0.26 0.00 0.00 34.13 30.99 1n43 s GLU 44 CO 0.02 -0.66 0.81 0.45 -0.54 0.00 0.00 175.26 175.34 1n43 s SER 45 N 1.28 7.17 0.07 -1.70 0.15 -1.26 -1.72 113.70 117.68 1n43 s SER 45 Ca -0.04 1.58 0.25 0.00 0.70 0.00 0.00 55.95 58.43 1n43 s SER 45 Cb -0.20 -2.48 0.46 0.00 -1.71 0.00 0.00 66.02 62.09 1n43 s SER 45 CO -0.02 -0.00 1.39 0.00 1.20 0.00 0.00 173.24 175.82 1n43 n ALA 46 N 0.68 3.12 -2.23 5.45 0.00 -1.26 -4.83 120.51 121.43 1n43 n ALA 46 Ca -0.01 -0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.03 1n43 n ALA 46 Cb 0.51 -1.17 -0.10 0.00 0.00 0.00 0.00 19.45 18.68 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 -3.09 0.88 0.00 0.00 -7.23 -1.26 -4.98 120.40 104.72 1n43 s VAL 47 Ca 0.08 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 1n43 s VAL 47 Cb 0.15 -1.90 0.00 0.00 0.56 0.00 0.00 36.38 35.20 1n43 s VAL 47 CO 0.70 -0.69 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 1n43 n GLY 48 N -0.17 -1.51 2.77 2.32 0.00 -1.26 -4.48 105.19 102.85 1n43 n GLY 48 Ca -0.10 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 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 0.04 4.27 -3.74 1.61 2.85 -1.26 -4.88 115.26 114.15 1n43 n ASN 49 Ca 0.00 -2.93 -0.13 0.00 -0.11 0.00 0.00 54.58 51.41 1n43 n ASN 49 Cb 0.00 -1.60 -0.09 0.00 1.24 0.00 0.00 39.78 39.33 1n43 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1n43 s ALA 50 N 2.26 -0.89 -0.17 5.20 0.00 -1.26 -4.59 121.76 122.31 1n43 s ALA 50 Ca 0.45 0.72 -0.12 0.00 0.00 0.00 0.00 51.96 53.00 1n43 s ALA 50 Cb 0.13 -0.26 0.05 0.00 0.00 0.00 0.00 23.12 23.04 1n43 s ALA 50 CO -0.06 -0.22 0.44 -2.00 0.00 0.00 0.00 175.76 173.92 1n43 s GLU 51 N -0.57 0.46 3.12 0.00 2.12 -1.26 -4.95 118.70 117.61 1n43 s GLU 51 Ca -0.07 0.74 0.00 0.00 0.36 0.00 0.00 54.97 56.00 1n43 s GLU 51 Cb -0.04 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.45 1n43 s GLU 51 CO 0.03 -0.12 0.00 0.45 -0.54 0.00 0.00 175.26 175.08 1n43 n SER 52 N 3.69 -1.49 -4.91 -1.70 2.88 -1.26 -4.83 113.62 106.00 1n43 n SER 52 Ca -0.19 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.06 1n43 n SER 52 Cb 0.56 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.99 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 3.57 -0.01 -1.46 0.52 -1.26 -4.42 118.95 115.89 1n43 s ARG 53 Ca 0.00 -0.19 0.03 0.00 -0.52 0.00 0.00 55.73 55.05 1n43 s ARG 53 Cb 0.00 -2.78 -0.01 0.00 0.52 0.00 0.00 34.95 32.68 1n43 s ARG 53 CO 0.00 0.36 -0.10 0.71 0.02 0.00 0.00 175.30 176.29 1n43 s TYR 54 N -1.89 0.88 0.34 -0.53 2.02 -0.69 -4.83 117.35 112.64 1n43 s TYR 54 Ca 0.41 -0.17 -0.29 0.00 -0.37 0.00 0.00 57.07 56.65 1n43 s TYR 54 Cb -0.11 -0.57 -0.10 0.00 -0.40 0.00 0.00 41.96 40.77 1n43 s TYR 54 CO 0.28 -0.03 1.31 0.08 -1.57 0.00 0.00 175.55 175.62 1n43 s VAL 55 N -0.17 2.71 0.04 0.71 1.01 -1.26 0.60 120.40 124.04 1n43 s VAL 55 Ca 0.03 0.71 0.04 0.00 0.00 0.00 0.00 61.98 62.76 1n43 s VAL 55 Cb -0.04 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1n43 s VAL 55 CO -0.00 0.17 -0.13 -1.48 0.00 0.00 0.00 175.10 173.66 1n43 s LEU 56 N -1.84 2.20 -0.04 3.92 0.05 0.13 -4.37 118.68 118.73 1n43 s LEU 56 Ca 0.49 -0.48 -0.06 0.00 0.05 0.00 0.00 54.13 54.13 1n43 s LEU 56 Cb -0.40 -0.50 0.01 0.00 -2.05 0.00 0.00 46.19 43.26 1n43 s LEU 56 CO 0.53 -0.02 0.16 0.28 -0.55 0.00 0.00 176.35 176.74 1n43 s THR 57 N -0.98 0.02 0.04 5.48 -1.32 -1.13 -2.02 115.64 115.73 1n43 s THR 57 Ca -0.01 -0.20 -0.05 0.00 -1.21 0.00 0.00 61.69 60.22 1n43 s THR 57 Cb -0.08 -0.29 0.02 0.00 -1.51 0.00 0.00 72.50 70.63 1n43 s THR 57 CO 0.01 -0.11 0.23 0.61 -2.21 0.00 0.00 174.62 173.15 1n43 n GLY 58 N 2.54 1.10 3.14 6.08 0.00 -0.66 -0.89 105.19 116.49 1n43 n GLY 58 Ca -0.15 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.01 0.76 0.05 1.61 0.52 -0.08 -1.31 118.95 118.49 1n43 s ARG 59 Ca 0.05 -1.20 -0.05 0.00 -0.52 0.00 0.00 55.73 54.01 1n43 s ARG 59 Cb -0.01 -0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.23 1n43 s ARG 59 CO 0.01 -0.00 0.08 1.52 0.02 0.00 0.00 175.30 176.93 1n43 s TYR 60 N -3.12 0.28 -0.39 -0.53 1.13 -0.87 -0.38 117.35 113.47 1n43 s TYR 60 Ca 0.07 -0.68 -0.28 0.00 -1.41 0.00 0.00 57.07 54.77 1n43 s TYR 60 Cb 0.02 -0.19 0.02 0.00 -1.10 0.00 0.00 41.96 40.71 1n43 s TYR 60 CO -0.04 -0.41 1.05 0.34 -2.51 0.00 0.00 175.55 173.98 1n43 s ASP 61 N -2.52 6.75 0.40 -0.18 2.15 0.46 -4.72 116.67 119.01 1n43 s ASP 61 Ca 0.01 0.71 0.27 0.00 0.43 0.00 0.00 52.55 53.97 1n43 s ASP 61 Cb 0.03 -2.52 0.88 0.00 -0.30 0.00 0.00 42.92 41.01 1n43 s ASP 61 CO -0.08 -0.99 1.78 0.77 -0.17 0.00 0.00 175.17 176.48 1n43 h SER 62 N 8.58 0.00 -2.11 -0.34 4.64 -1.90 -3.35 113.55 119.06 1n43 h SER 62 Ca -0.22 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.53 1n43 h SER 62 Cb 1.07 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.75 1n43 h SER 62 CO 1.05 0.00 -0.84 0.00 -0.87 0.00 0.00 176.83 176.16 1n43 n ALA 63 N -1.98 3.34 -1.06 5.18 0.00 -1.26 -5.10 120.51 119.63 1n43 n ALA 63 Ca 0.03 -4.13 -0.30 0.00 0.00 0.00 0.00 53.44 49.04 1n43 n ALA 63 Cb 0.38 -0.85 0.15 0.00 0.00 0.00 0.00 19.45 19.13 1n43 n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n43 s PRO 64 N -2.08 1.16 1.07 0.00 0.04 -1.26 -5.02 135.00 128.92 1n43 s PRO 64 Ca 0.39 1.00 -0.12 0.00 0.04 0.00 0.00 61.00 62.31 1n43 s PRO 64 Cb 0.19 -1.78 0.23 0.00 0.04 0.00 0.00 34.50 33.18 1n43 s PRO 64 CO -0.07 -2.36 1.06 0.00 0.04 0.00 0.00 177.00 175.67 1n43 s ALA 65 N -2.83 0.27 -0.32 8.56 0.00 -1.26 -5.01 121.76 121.17 1n43 s ALA 65 Ca 0.64 -0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.52 1n43 s ALA 65 Cb -0.19 -3.21 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 1n43 s ALA 65 CO 0.58 -3.34 0.30 0.25 0.00 0.00 0.00 175.76 173.55 1n43 n THR 66 N -4.56 0.00 0.73 0.00 -2.24 -1.26 -4.58 114.28 102.37 1n43 n THR 66 Ca 0.05 -0.31 0.05 0.00 -2.27 0.00 0.00 64.05 61.56 1n43 n THR 66 Cb 0.55 0.95 0.27 0.00 -2.10 0.00 0.00 70.33 69.99 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 -1.22 0.00 0.00 3.42 5.68 -1.26 -4.63 116.55 118.54 1n43 n ASP 67 Ca 0.01 -0.44 0.00 0.00 -0.50 0.00 0.00 54.79 53.86 1n43 n ASP 67 Cb 0.12 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 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 -0.24 1.75 3.89 6.12 0.00 -1.26 -5.12 105.19 110.32 1n43 n GLY 68 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 6.54 1.01 1.61 0.01 -1.26 -5.08 113.70 114.52 1n43 s SER 69 Ca 0.00 0.66 -0.13 0.00 1.31 0.00 0.00 55.95 57.80 1n43 s SER 69 Cb 0.00 -2.12 0.19 0.00 0.21 0.00 0.00 66.02 64.30 1n43 s SER 69 CO 0.00 0.07 1.10 -0.83 0.41 0.00 0.00 173.24 173.99 1n43 s GLY 70 N -2.26 1.56 -0.31 3.44 0.00 -1.26 -4.79 107.32 103.70 1n43 s GLY 70 Ca 0.40 -0.43 -0.17 0.00 0.00 0.00 0.00 44.72 44.51 1n43 s GLY 70 CO 0.23 0.20 0.47 -1.59 0.00 0.00 0.00 173.10 172.40 1n43 s THR 71 N -3.01 5.08 0.32 0.90 2.01 -0.22 -4.78 115.64 115.94 1n43 s THR 71 Ca 0.66 0.51 -0.28 0.00 0.31 0.00 0.00 61.69 62.88 1n43 s THR 71 Cb -0.18 -3.86 -0.09 0.00 0.01 0.00 0.00 72.50 68.38 1n43 s THR 71 CO 0.57 -0.05 1.14 0.00 -0.69 0.00 0.00 174.62 175.60 1n43 s ALA 72 N 2.27 3.36 0.22 7.40 0.00 -1.26 0.05 121.76 133.79 1n43 s ALA 72 Ca 0.18 0.96 -0.18 0.00 0.00 0.00 0.00 51.96 52.92 1n43 s ALA 72 Cb -0.16 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.63 1n43 s ALA 72 CO 0.11 -0.31 0.55 -0.48 0.00 0.00 0.00 175.76 175.64 1n43 s LEU 73 N -1.77 0.03 0.05 0.00 2.34 -0.60 -0.40 118.68 118.33 1n43 s LEU 73 Ca 0.48 -0.57 -0.26 0.00 0.06 0.00 0.00 54.13 53.84 1n43 s LEU 73 Cb -0.32 2.20 0.07 0.00 -0.56 0.00 0.00 46.19 47.58 1n43 s LEU 73 CO 0.42 -1.12 0.62 -0.83 -1.06 0.00 0.00 176.35 174.37 1n43 s GLY 74 N -2.90 -0.56 0.24 -3.48 0.00 0.49 -1.18 107.32 99.92 1n43 s GLY 74 Ca 0.12 0.86 -0.13 0.00 0.00 0.00 0.00 44.72 45.56 1n43 s GLY 74 CO 0.01 0.53 0.48 0.66 0.00 0.00 0.00 173.10 174.77 1n43 s TRP 75 N -2.38 0.29 0.01 1.90 -2.14 -0.21 -0.90 118.94 115.51 1n43 s TRP 75 Ca -0.05 -0.65 0.03 0.00 2.66 0.00 0.00 56.10 58.08 1n43 s TRP 75 Cb -0.01 0.22 -0.01 0.00 -3.10 0.00 0.00 33.47 30.57 1n43 s TRP 75 CO -0.01 -0.98 -0.09 0.99 -2.66 0.00 0.00 176.95 174.20 1n43 s THR 76 N -3.99 0.72 -0.13 0.66 2.01 -0.07 -0.85 115.64 113.98 1n43 s THR 76 Ca 0.20 -0.62 -0.00 0.00 0.31 0.00 0.00 61.69 61.58 1n43 s THR 76 Cb -0.01 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 71.88 1n43 s THR 76 CO 0.07 0.04 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.24 1n43 s VAL 77 N -0.55 1.30 -0.44 3.82 1.01 0.40 -2.84 120.40 123.10 1n43 s VAL 77 Ca 0.00 -0.47 -0.26 0.00 0.00 0.00 0.00 61.98 61.26 1n43 s VAL 77 Cb -0.05 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.08 1n43 s VAL 77 CO 0.00 0.41 0.93 0.00 0.00 0.00 0.00 175.10 176.44 1n43 s ALA 78 N 1.60 3.28 -0.85 5.51 0.00 -1.26 -0.62 121.76 129.42 1n43 s ALA 78 Ca 0.05 -0.69 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 1n43 s ALA 78 Cb -0.13 -3.62 -0.07 0.00 0.00 0.00 0.00 23.12 19.30 1n43 s ALA 78 CO -0.09 -1.94 2.26 0.91 0.00 0.00 0.00 175.76 176.89 1n43 n TRP 79 N 7.08 1.26 -3.97 0.00 7.02 -0.52 -4.75 117.44 123.55 1n43 n TRP 79 Ca 0.07 -1.92 -0.24 0.00 -1.02 0.00 0.00 57.50 54.39 1n43 n TRP 79 Cb 0.48 -1.68 -0.17 0.00 -2.42 0.00 0.00 31.31 27.53 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 3.01 1.06 0.00 -0.99 2.20 -1.26 -1.22 119.74 122.53 1n43 s LYS 80 Ca 0.43 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 1n43 s LYS 80 Cb 0.13 -1.19 0.00 0.00 -1.51 0.00 0.00 37.83 35.26 1n43 s LYS 80 CO -0.03 -0.21 0.00 0.27 -0.36 0.00 0.00 175.35 175.01 1n43 n ASN 81 N 4.73 0.00 -0.38 1.43 0.23 0.52 -4.78 115.26 117.02 1n43 n ASN 81 Ca -0.14 -0.87 0.30 0.00 -0.53 0.00 0.00 54.58 53.34 1n43 n ASN 81 Cb 0.50 0.00 0.59 0.00 -2.08 0.00 0.00 39.78 38.79 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 0.32 0.00 0.53 -0.26 -1.95 -3.09 115.58 111.13 1n43 h ASN 82 Ca 0.00 0.10 -0.31 0.00 -0.56 0.00 0.00 56.30 55.52 1n43 h ASN 82 Cb 0.00 0.06 -0.06 0.00 -1.06 0.00 0.00 38.32 37.26 1n43 h ASN 82 CO 0.00 -0.03 -2.29 -1.22 -1.06 0.00 0.00 177.43 172.83 1n43 n TYR 83 N -4.61 0.00 -3.78 1.19 4.01 -1.26 -5.05 117.16 107.66 1n43 n TYR 83 Ca 0.30 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 58.01 1n43 n TYR 83 Cb 1.15 -0.90 -0.01 0.00 -0.31 0.00 0.00 39.34 39.26 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 -2.58 1.29 -0.13 -0.72 1.70 -1.17 -5.07 118.95 112.26 1n43 s ARG 84 Ca -0.09 -0.73 -0.02 0.00 -0.47 0.00 0.00 55.73 54.43 1n43 s ARG 84 Cb 0.07 0.43 0.04 0.00 -0.57 0.00 0.00 34.95 34.92 1n43 s ARG 84 CO 0.80 -0.59 -0.01 1.21 -1.08 0.00 0.00 175.30 175.63 1n43 s ASN 85 N -2.98 2.31 0.00 -2.89 3.84 -1.26 -0.35 114.94 113.62 1n43 s ASN 85 Ca 0.13 -0.45 0.23 0.00 0.21 0.00 0.00 52.86 52.98 1n43 s ASN 85 Cb -0.02 -0.63 0.66 0.00 -0.55 0.00 0.00 41.25 40.71 1n43 s ASN 85 CO 0.03 -0.22 1.51 0.00 -2.79 0.00 0.00 177.10 175.64 1n43 n ALA 86 N 5.04 2.50 -3.80 1.71 0.00 -0.36 -4.97 120.51 120.63 1n43 n ALA 86 Ca -0.09 -0.64 -0.26 0.00 0.00 0.00 0.00 53.44 52.45 1n43 n ALA 86 Cb 0.49 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.93 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 0.71 -1.80 -3.79 0.00 8.25 -1.26 -4.90 115.22 112.43 1n43 n HIS 87 Ca 0.17 0.69 -0.06 0.00 -0.26 0.00 0.00 57.72 58.26 1n43 n HIS 87 Cb 0.44 -3.83 -0.02 0.00 1.12 0.00 0.00 29.99 27.70 1n43 n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1n43 s SER 88 N -4.11 -0.26 -0.03 0.41 1.04 -1.26 -1.73 113.70 107.76 1n43 s SER 88 Ca 0.14 -0.49 -0.16 0.00 0.48 0.00 0.00 55.95 55.91 1n43 s SER 88 Cb -0.05 0.65 0.03 0.00 0.10 0.00 0.00 66.02 66.75 1n43 s SER 88 CO 0.86 -1.19 0.35 0.00 0.98 0.00 0.00 173.24 174.24 1n43 s ALA 89 N -3.72 -0.88 -0.07 5.32 0.00 -0.23 -1.45 121.76 120.73 1n43 s ALA 89 Ca 0.10 0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.58 1n43 s ALA 89 Cb -0.04 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 1n43 s ALA 89 CO 0.04 -0.26 -0.20 0.99 0.00 0.00 0.00 175.76 176.33 1n43 s THR 90 N -1.18 1.71 -0.17 0.00 2.01 0.21 -0.14 115.64 118.08 1n43 s THR 90 Ca -0.12 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.02 1n43 s THR 90 Cb -0.05 -1.48 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 1n43 s THR 90 CO 0.04 0.48 -0.09 0.42 -0.69 0.00 0.00 174.62 174.78 1n43 s THR 91 N 0.23 3.17 -0.23 -0.82 -4.23 -0.47 -0.46 115.64 112.83 1n43 s THR 91 Ca -0.11 -0.59 -0.14 0.00 -1.18 0.00 0.00 61.69 59.67 1n43 s THR 91 Cb -0.15 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 1n43 s THR 91 CO 0.05 0.48 0.30 0.26 -0.54 0.00 0.00 174.62 175.18 1n43 s TRP 92 N 0.85 3.32 -0.10 3.99 0.51 -0.03 -1.32 118.94 126.15 1n43 s TRP 92 Ca -0.03 0.42 0.03 0.00 -2.12 0.00 0.00 56.10 54.40 1n43 s TRP 92 Cb -0.15 -2.44 -0.01 0.00 -0.81 0.00 0.00 33.47 30.06 1n43 s TRP 92 CO 0.01 -0.03 -0.20 0.45 -0.51 0.00 0.00 176.95 176.67 1n43 s SER 93 N 1.19 3.48 0.00 2.95 0.15 0.39 -1.05 113.70 120.80 1n43 s SER 93 Ca 0.14 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1n43 s SER 93 Cb -0.15 -1.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.79 1n43 s SER 93 CO 0.07 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.31 1n43 n GLY 94 N 3.37 -0.85 3.20 9.45 0.00 -0.33 -0.74 105.19 119.30 1n43 n GLY 94 Ca -0.18 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.21 0.71 -0.06 1.61 -2.07 -0.47 -1.55 119.66 117.62 1n43 s GLN 95 Ca 0.00 -0.54 -0.18 0.00 -1.82 0.00 0.00 55.36 52.82 1n43 s GLN 95 Cb 0.00 0.30 -0.05 0.00 -1.09 0.00 0.00 33.01 32.17 1n43 s GLN 95 CO 0.00 -0.21 0.50 -0.47 -1.32 0.00 0.00 175.29 173.78 1n43 s TYR 96 N -2.39 3.61 -0.21 9.60 5.04 0.11 -0.44 117.35 132.67 1n43 s TYR 96 Ca -0.06 1.00 0.01 0.00 -2.44 0.00 0.00 57.07 55.58 1n43 s TYR 96 Cb -0.02 -2.51 0.05 0.00 0.35 0.00 0.00 41.96 39.83 1n43 s TYR 96 CO -0.03 0.32 -0.10 0.08 -1.34 0.00 0.00 175.55 174.49 1n43 s VAL 97 N 0.02 1.68 0.53 3.14 1.01 -0.18 -1.05 120.40 125.54 1n43 s VAL 97 Ca 0.27 -1.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 1n43 s VAL 97 Cb -0.16 -1.79 0.12 0.00 0.00 0.00 0.00 36.38 34.55 1n43 s VAL 97 CO 0.13 0.11 0.66 0.61 0.00 0.00 0.00 175.10 176.62 1n43 n GLY 98 N 4.66 -1.55 0.00 4.51 0.00 -1.26 -1.39 105.19 110.15 1n43 n GLY 98 Ca -0.14 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 0.22 2.14 0.05 -0.02 0.00 -1.26 -4.53 105.19 101.79 1n43 n GLY 99 Ca 0.08 -2.04 -0.01 0.00 0.00 0.00 0.00 46.02 44.05 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 0.51 -0.07 -3.28 4.61 0.00 -1.26 0.11 120.51 121.13 1n43 n ALA 100 Ca 0.00 0.10 -0.45 0.00 0.00 0.00 0.00 53.44 53.09 1n43 n ALA 100 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1n43 n ALA 100 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1n43 n GLU 101 N -3.05 3.63 -1.40 0.00 4.07 -1.26 -5.02 120.64 117.60 1n43 n GLU 101 Ca 0.00 -4.42 -0.36 0.00 -0.06 0.00 0.00 57.16 52.32 1n43 n GLU 101 Cb 0.03 -2.58 0.08 0.00 -0.06 0.00 0.00 31.44 28.91 1n43 n GLU 101 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1n43 n ALA 102 N 2.74 -0.25 -2.62 4.31 0.00 0.31 -4.94 120.51 120.06 1n43 n ALA 102 Ca 0.25 -0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.44 1n43 n ALA 102 Cb 0.39 -2.10 -0.09 0.00 0.00 0.00 0.00 19.45 17.65 1n43 n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1n43 s ARG 103 N -3.20 0.63 -0.25 0.00 0.52 -0.49 -4.23 118.95 111.95 1n43 s ARG 103 Ca 0.73 -0.84 -0.02 0.00 -0.52 0.00 0.00 55.73 55.09 1n43 s ARG 103 Cb -0.36 0.25 0.03 0.00 0.52 0.00 0.00 34.95 35.39 1n43 s ARG 103 CO 0.50 -0.16 -0.06 0.42 0.02 0.00 0.00 175.30 176.01 1n43 s ILE 104 N -2.96 2.86 -0.34 1.52 1.01 -0.78 -1.02 121.20 121.49 1n43 s ILE 104 Ca -0.02 -1.03 -0.12 0.00 0.00 0.00 0.00 60.65 59.48 1n43 s ILE 104 Cb 0.01 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 1n43 s ILE 104 CO -0.06 0.20 0.23 0.20 0.00 0.00 0.00 174.94 175.51 1n43 s ASN 105 N 1.32 5.99 0.24 3.58 0.01 0.42 -1.03 114.94 125.47 1n43 s ASN 105 Ca 0.00 -0.46 0.09 0.00 -0.71 0.00 0.00 52.86 51.77 1n43 s ASN 105 Cb -0.17 -2.12 -0.05 0.00 0.41 0.00 0.00 41.25 39.33 1n43 s ASN 105 CO -0.05 -0.24 -0.14 0.42 -1.51 0.00 0.00 177.10 175.58 1n43 s THR 106 N 1.70 1.91 0.11 1.60 -4.23 0.20 -1.36 115.64 115.57 1n43 s THR 106 Ca 0.06 -2.25 0.10 0.00 -1.18 0.00 0.00 61.69 58.43 1n43 s THR 106 Cb -0.17 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.44 1n43 s THR 106 CO 0.10 -0.49 -0.26 -1.10 -0.54 0.00 0.00 174.62 172.32 1n43 s GLN 107 N -3.62 1.54 0.11 3.99 -0.21 0.08 -2.10 119.66 119.45 1n43 s GLN 107 Ca 0.26 -1.27 0.02 0.00 0.02 0.00 0.00 55.36 54.39 1n43 s GLN 107 Cb -0.01 -1.94 -0.04 0.00 1.00 0.00 0.00 33.01 32.02 1n43 s GLN 107 CO 0.10 0.47 -0.07 1.67 -2.12 0.00 0.00 175.29 175.33 1n43 s TRP 108 N -1.00 0.98 -0.14 0.91 1.48 0.72 -0.46 118.94 121.43 1n43 s TRP 108 Ca 0.14 -0.87 -0.00 0.00 -1.06 0.00 0.00 56.10 54.31 1n43 s TRP 108 Cb -0.10 -0.54 0.02 0.00 -1.16 0.00 0.00 33.47 31.69 1n43 s TRP 108 CO 0.05 -0.09 -0.11 -0.51 -4.06 0.00 0.00 176.95 172.23 1n43 s LEU 109 N -3.04 1.48 -0.35 -4.66 1.43 -0.44 -1.79 118.68 111.32 1n43 s LEU 109 Ca 0.12 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 1n43 s LEU 109 Cb 0.04 -1.03 0.05 0.00 0.03 0.00 0.00 46.19 45.28 1n43 s LEU 109 CO -0.03 -0.09 0.12 -0.22 0.23 0.00 0.00 176.35 176.36 1n43 s LEU 110 N 1.59 4.45 -0.25 1.79 2.96 0.74 -1.37 118.68 128.57 1n43 s LEU 110 Ca 0.05 -1.22 -0.12 0.00 -0.22 0.00 0.00 54.13 52.62 1n43 s LEU 110 Cb -0.13 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 1n43 s LEU 110 CO -0.09 -0.36 0.22 -0.89 -1.32 0.00 0.00 176.35 173.90 1n43 s THR 111 N 1.39 5.31 0.04 3.68 2.01 0.80 -0.97 115.64 127.90 1n43 s THR 111 Ca -0.01 0.27 -0.05 0.00 0.31 0.00 0.00 61.69 62.21 1n43 s THR 111 Cb -0.20 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 1n43 s THR 111 CO 0.02 0.28 0.27 -0.44 -0.69 0.00 0.00 174.62 174.07 1n43 s SER 112 N 1.37 6.46 0.24 3.53 0.01 -0.57 -1.07 113.70 123.67 1n43 s SER 112 Ca 0.09 0.50 -0.30 0.00 1.31 0.00 0.00 55.95 57.56 1n43 s SER 112 Cb -0.15 -2.06 -0.09 0.00 0.21 0.00 0.00 66.02 63.93 1n43 s SER 112 CO 0.08 0.20 1.32 -0.83 0.41 0.00 0.00 173.24 174.42 1n43 s GLY 113 N -1.98 2.57 0.13 3.44 0.00 -0.70 -4.81 107.32 105.97 1n43 s GLY 113 Ca 0.31 1.16 0.00 0.00 0.00 0.00 0.00 44.72 46.19 1n43 s GLY 113 CO 0.20 2.04 0.01 -0.51 0.00 0.00 0.00 173.10 174.84 1n43 s THR 114 N -0.22 0.38 0.99 0.90 -4.23 -1.26 -5.02 115.64 107.18 1n43 s THR 114 Ca 0.55 -1.92 -0.12 0.00 -1.18 0.00 0.00 61.69 59.02 1n43 s THR 114 Cb -0.38 -1.96 0.18 0.00 1.34 0.00 0.00 72.50 71.69 1n43 s THR 114 CO 0.42 -0.59 1.08 0.42 -0.54 0.00 0.00 174.62 175.42 1n43 s THR 115 N -3.85 2.32 0.30 3.99 -4.23 -1.26 -4.82 115.64 108.08 1n43 s THR 115 Ca 0.20 0.10 0.16 0.00 -1.18 0.00 0.00 61.69 60.98 1n43 s THR 115 Cb 0.07 -2.35 0.11 0.00 1.34 0.00 0.00 72.50 71.67 1n43 s THR 115 CO 0.00 -0.13 1.80 -0.33 -0.54 0.00 0.00 174.62 175.41 1n43 h GLU 116 N -1.97 0.00 -0.06 3.99 4.39 -2.00 -1.25 114.58 117.68 1n43 h GLU 116 Ca -0.52 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.17 1n43 h GLU 116 Cb 1.30 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1n43 h GLU 116 CO 0.50 0.38 0.00 0.00 -1.16 0.00 0.00 179.01 178.73 1n43 h ALA 117 N 1.62 1.90 -0.35 3.43 0.00 -2.06 -2.25 119.26 121.54 1n43 h ALA 117 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1n43 h ALA 117 Cb 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1n43 h ALA 117 CO 0.05 0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.47 1n43 n ASN 118 N -4.49 3.37 0.26 0.00 3.02 -0.61 -4.54 115.26 112.28 1n43 n ASN 118 Ca -0.02 -1.97 0.12 0.00 -0.03 0.00 0.00 54.58 52.68 1n43 n ASN 118 Cb 0.12 -0.23 0.73 0.00 -0.61 0.00 0.00 39.78 39.79 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 4.30 1.37 -0.49 5.41 0.00 -0.63 -0.67 119.26 128.55 1n43 h ALA 119 Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1n43 h ALA 119 Cb 0.96 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1n43 h ALA 119 CO 0.00 0.14 0.33 0.11 0.00 0.00 0.00 179.25 179.83 1n43 h TRP 120 N 0.00 0.26 -0.59 0.00 5.08 -1.80 -1.77 115.95 117.14 1n43 h TRP 120 Ca -0.00 0.01 -0.34 0.00 1.08 0.00 0.00 58.89 59.63 1n43 h TRP 120 Cb 0.28 -0.09 -0.20 0.00 -3.00 0.00 0.00 29.16 26.15 1n43 h TRP 120 CO 0.00 0.13 0.07 0.36 -1.28 0.00 0.00 178.44 177.72 1n43 n LYS 121 N -4.46 2.21 0.21 0.12 2.85 -0.26 -4.64 118.16 114.19 1n43 n LYS 121 Ca 0.08 -3.30 0.09 0.00 -1.05 0.00 0.00 58.31 54.13 1n43 n LYS 121 Cb 0.38 -1.99 0.32 0.00 -0.65 0.00 0.00 35.03 33.08 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 1.26 0.00 -3.48 -5.58 4.64 -1.31 -3.46 113.55 105.62 1n43 h SER 122 Ca 0.36 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 61.07 1n43 h SER 122 Cb 1.76 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.47 1n43 h SER 122 CO 0.70 0.23 -0.80 -0.89 -0.87 0.00 0.00 176.83 175.20 1n43 s THR 123 N -3.39 1.54 0.12 2.95 2.01 -1.26 -1.52 115.64 116.09 1n43 s THR 123 Ca 0.03 -1.02 -0.16 0.00 0.31 0.00 0.00 61.69 60.84 1n43 s THR 123 Cb 0.08 -1.69 -0.07 0.00 0.01 0.00 0.00 72.50 70.84 1n43 s THR 123 CO 0.66 0.08 0.56 -0.76 -0.69 0.00 0.00 174.62 174.47 1n43 s LEU 124 N 1.43 4.41 0.04 4.42 1.43 -0.14 -4.89 118.68 125.38 1n43 s LEU 124 Ca -0.02 1.16 0.06 0.00 -1.03 0.00 0.00 54.13 54.30 1n43 s LEU 124 Cb -0.17 -3.13 -0.03 0.00 0.03 0.00 0.00 46.19 42.89 1n43 s LEU 124 CO -0.07 0.17 -0.15 0.54 0.23 0.00 0.00 176.35 177.07 1n43 s VAL 125 N -1.33 3.05 0.02 -1.59 0.11 -1.26 -0.19 120.40 119.21 1n43 s VAL 125 Ca 0.34 -1.12 -0.01 0.00 -2.93 0.00 0.00 61.98 58.27 1n43 s VAL 125 Cb -0.17 -2.32 0.00 0.00 -1.53 0.00 0.00 36.38 32.37 1n43 s VAL 125 CO 0.19 0.31 0.05 0.61 -3.33 0.00 0.00 175.10 172.93 1n43 n GLY 126 N 1.42 1.66 2.86 6.54 0.00 -0.74 -4.99 105.19 111.96 1n43 n GLY 126 Ca -0.16 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 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 -7.48 -0.02 -0.08 1.61 -3.43 -1.26 -0.20 115.29 104.42 1n43 s HIS 127 Ca 0.01 0.10 0.04 0.00 -0.80 0.00 0.00 55.06 54.41 1n43 s HIS 127 Cb -0.00 -0.06 -0.00 0.00 -1.43 0.00 0.00 32.58 31.09 1n43 s HIS 127 CO 0.01 -0.04 -0.23 -0.51 -2.00 0.00 0.00 174.74 171.97 1n43 s ASP 128 N 0.34 2.90 -0.24 7.38 1.01 -0.89 -4.97 116.67 122.20 1n43 s ASP 128 Ca -0.03 -0.51 -0.09 0.00 0.71 0.00 0.00 52.55 52.63 1n43 s ASP 128 Cb -0.04 -1.19 -0.04 0.00 1.01 0.00 0.00 42.92 42.66 1n43 s ASP 128 CO -0.01 0.16 0.13 -0.89 0.21 0.00 0.00 175.17 174.77 1n43 s THR 129 N 0.26 4.96 0.03 -1.27 2.01 -1.26 -0.63 115.64 119.74 1n43 s THR 129 Ca -0.15 0.04 0.02 0.00 0.31 0.00 0.00 61.69 61.91 1n43 s THR 129 Cb -0.17 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1n43 s THR 129 CO 0.07 0.34 0.06 -0.36 -0.69 0.00 0.00 174.62 174.04 1n43 s PHE 130 N 1.26 3.19 0.13 4.92 0.40 -0.20 -2.31 117.98 125.38 1n43 s PHE 130 Ca 0.06 0.12 -0.05 0.00 -0.60 0.00 0.00 56.93 56.46 1n43 s PHE 130 Cb -0.14 -1.67 -0.02 0.00 0.51 0.00 0.00 43.02 41.69 1n43 s PHE 130 CO 0.05 0.52 0.15 -0.08 0.70 0.00 0.00 175.22 176.56 1n43 s THR 131 N -1.24 0.10 -2.14 0.64 -1.32 0.26 -1.87 115.64 110.07 1n43 s THR 131 Ca 0.24 -1.63 0.31 0.00 -1.21 0.00 0.00 61.69 59.40 1n43 s THR 131 Cb -0.12 -1.85 0.81 0.00 -1.51 0.00 0.00 72.50 69.83 1n43 s THR 131 CO 0.16 -0.47 2.09 0.29 -2.21 0.00 0.00 174.62 174.48