#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 1.47 -2.87 -0.61 2.04 -1.97 -3.46 117.51 112.11 1n43 h ILE 17 Ca 0.00 -2.81 -0.57 0.00 1.00 0.00 0.00 64.86 62.48 1n43 h ILE 17 Cb 0.00 2.72 0.08 0.00 -0.74 0.00 0.00 36.82 38.89 1n43 h ILE 17 CO 0.00 0.83 0.71 0.41 0.00 0.00 0.00 178.15 180.10 1n43 n THR 18 N -3.62 0.95 0.00 -0.27 -1.04 -1.26 -4.78 114.28 104.26 1n43 n THR 18 Ca -0.07 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 1n43 n THR 18 Cb 0.94 -1.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.81 1n43 n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n43 n GLY 19 N 2.20 0.72 3.74 3.41 0.00 0.21 -4.99 105.19 110.48 1n43 n GLY 19 Ca 0.11 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.73 5.24 0.09 2.61 2.01 -1.26 -1.85 115.64 120.75 1n43 s THR 20 Ca 0.00 0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.19 1n43 s THR 20 Cb 0.00 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 1n43 s THR 20 CO 0.00 0.49 -0.17 0.26 -0.69 0.00 0.00 174.62 174.51 1n43 s TRP 21 N -0.01 1.48 -0.09 4.92 0.52 0.20 -4.61 118.94 121.35 1n43 s TRP 21 Ca 0.09 -0.45 0.02 0.00 0.02 0.00 0.00 56.10 55.78 1n43 s TRP 21 Cb -0.12 -0.82 0.01 0.00 -1.15 0.00 0.00 33.47 31.40 1n43 s TRP 21 CO 0.00 0.13 -0.16 0.71 0.02 0.00 0.00 176.95 177.66 1n43 s TYR 22 N -1.34 1.91 0.49 -1.98 1.51 -0.10 -1.38 117.35 116.45 1n43 s TYR 22 Ca 0.03 -0.81 -0.20 0.00 -1.01 0.00 0.00 57.07 55.08 1n43 s TYR 22 Cb -0.09 -1.36 -0.08 0.00 -0.11 0.00 0.00 41.96 40.32 1n43 s TYR 22 CO 0.03 -0.40 1.03 0.00 -1.11 0.00 0.00 175.55 175.10 1n43 s ALA 23 N 0.75 2.89 0.42 3.71 0.00 0.10 -1.92 121.76 127.71 1n43 s ALA 23 Ca -0.12 0.56 0.09 0.00 0.00 0.00 0.00 51.96 52.49 1n43 s ALA 23 Cb -0.16 -3.24 0.89 0.00 0.00 0.00 0.00 23.12 20.61 1n43 s ALA 23 CO 0.02 -0.29 2.03 -0.56 0.00 0.00 0.00 175.76 176.96 1n43 h GLN 24 N 1.52 0.39 -0.03 0.00 -0.00 -1.85 -0.85 115.11 114.29 1n43 h GLN 24 Ca -0.49 -0.04 0.01 0.00 -0.00 0.00 0.00 58.65 58.13 1n43 h GLN 24 Cb 1.22 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.48 28.62 1n43 h GLN 24 CO 0.59 0.32 0.04 -0.07 -0.00 0.00 0.00 178.83 179.71 1n43 h LEU 25 N 0.39 0.00 0.00 0.06 3.38 -1.92 -3.46 115.31 113.76 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 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1n43 h LEU 25 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 1n43 n GLY 26 N -1.27 2.41 3.67 0.83 0.00 -0.32 -4.81 105.19 105.70 1n43 n GLY 26 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1n43 n GLY 26 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n43 n SER 27 N 0.00 0.98 -4.25 1.61 7.64 -1.26 -4.59 113.62 113.76 1n43 n SER 27 Ca 0.00 0.65 -0.31 0.00 1.01 0.00 0.00 58.87 60.22 1n43 n SER 27 Cb 0.00 -1.48 -0.16 0.00 -1.01 0.00 0.00 64.21 61.56 1n43 n SER 27 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1n43 s THR 28 N -1.89 1.99 -0.17 0.44 2.01 -0.22 0.01 115.64 117.81 1n43 s THR 28 Ca 0.75 -1.03 -0.00 0.00 0.31 0.00 0.00 61.69 61.72 1n43 s THR 28 Cb -0.32 -1.69 0.04 0.00 0.01 0.00 0.00 72.50 70.54 1n43 s THR 28 CO 0.49 0.55 -0.05 0.12 -0.69 0.00 0.00 174.62 175.04 1n43 s PHE 29 N -0.09 1.76 -0.16 4.92 5.36 -0.48 -0.17 117.98 129.13 1n43 s PHE 29 Ca -0.05 -1.14 0.00 0.00 -0.96 0.00 0.00 56.93 54.79 1n43 s PHE 29 Cb -0.14 -1.34 0.00 0.00 -0.34 0.00 0.00 43.02 41.20 1n43 s PHE 29 CO 0.04 -0.63 -0.16 0.42 -1.46 0.00 0.00 175.22 173.43 1n43 s ILE 30 N 1.61 2.58 0.07 3.12 1.01 0.56 -0.62 121.20 129.52 1n43 s ILE 30 Ca 0.00 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 59.89 1n43 s ILE 30 Cb -0.15 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 1n43 s ILE 30 CO -0.08 0.52 -0.11 0.68 0.00 0.00 0.00 174.94 175.95 1n43 s VAL 31 N 0.85 0.88 -0.16 2.92 -7.23 -0.77 -0.48 120.40 116.41 1n43 s VAL 31 Ca -0.05 -1.31 -0.01 0.00 -1.81 0.00 0.00 61.98 58.80 1n43 s VAL 31 Cb -0.15 -0.99 -0.00 0.00 0.56 0.00 0.00 36.38 35.79 1n43 s VAL 31 CO -0.01 -0.36 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.40 1n43 s THR 32 N -1.60 2.83 -0.40 5.32 2.01 0.18 0.67 115.64 124.65 1n43 s THR 32 Ca -0.03 -0.71 -0.17 0.00 0.31 0.00 0.00 61.69 61.10 1n43 s THR 32 Cb -0.08 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.23 1n43 s THR 32 CO 0.01 0.50 0.41 0.00 -0.69 0.00 0.00 174.62 174.86 1n43 s ALA 33 N 0.88 3.45 0.46 7.40 0.00 -1.26 -2.42 121.76 130.27 1n43 s ALA 33 Ca -0.04 -1.42 -0.23 0.00 0.00 0.00 0.00 51.96 50.27 1n43 s ALA 33 Cb -0.15 -2.98 -0.07 0.00 0.00 0.00 0.00 23.12 19.92 1n43 s ALA 33 CO -0.01 -1.43 1.23 0.20 0.00 0.00 0.00 175.76 175.76 1n43 s GLY 34 N 1.78 2.83 0.43 0.00 0.00 0.44 -4.89 107.32 107.92 1n43 s GLY 34 Ca 0.12 1.07 0.19 0.00 0.00 0.00 0.00 44.72 46.11 1n43 s GLY 34 CO 0.13 1.57 1.85 0.00 0.00 0.00 0.00 173.10 176.65 1n43 h ALA 35 N 2.07 2.29 0.00 3.20 0.00 -1.97 0.17 119.26 125.01 1n43 h ALA 35 Ca -0.50 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1n43 h ALA 35 Cb 1.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1n43 h ALA 35 CO 0.60 -0.58 -0.44 0.38 0.00 0.00 0.00 179.25 179.21 1n43 h ASP 36 N 0.35 0.00 0.00 0.00 -0.00 -1.97 -3.46 116.42 111.33 1n43 h ASP 36 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.50 1n43 h ASP 36 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.59 1n43 h ASP 36 CO -0.16 0.44 0.00 0.61 -0.00 0.00 0.00 179.24 180.13 1n43 n GLY 37 N 0.05 1.23 3.79 7.15 0.00 0.05 -4.79 105.19 112.67 1n43 n GLY 37 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.93 3.17 -0.17 4.61 0.00 -1.25 -1.34 121.76 124.84 1n43 s ALA 38 Ca 0.00 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.44 1n43 s ALA 38 Cb 0.00 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.98 1n43 s ALA 38 CO 0.00 0.17 -0.19 -0.51 0.00 0.00 0.00 175.76 175.23 1n43 s LEU 39 N -2.39 2.22 0.01 0.00 1.02 0.43 -0.42 118.68 119.55 1n43 s LEU 39 Ca 0.53 -0.60 -0.00 0.00 0.02 0.00 0.00 54.13 54.08 1n43 s LEU 39 Cb -0.16 -1.50 -0.01 0.00 0.02 0.00 0.00 46.19 44.54 1n43 s LEU 39 CO 0.20 0.02 -0.01 0.42 0.02 0.00 0.00 176.35 177.00 1n43 s THR 40 N 1.19 0.07 -4.26 5.49 -4.23 -1.01 -0.73 115.64 112.16 1n43 s THR 40 Ca 0.02 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1n43 s THR 40 Cb -0.14 -0.19 0.00 0.00 1.34 0.00 0.00 72.50 73.51 1n43 s THR 40 CO -0.09 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 1n43 n GLY 41 N 2.09 -0.52 3.09 3.99 0.00 -1.08 -0.65 105.19 112.11 1n43 n GLY 41 Ca -0.20 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 1n43 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n43 s THR 42 N -4.00 0.44 -0.02 2.61 -4.23 0.37 -1.46 115.64 109.35 1n43 s THR 42 Ca 0.00 -1.53 0.04 0.00 -1.18 0.00 0.00 61.69 59.02 1n43 s THR 42 Cb 0.00 -1.14 -0.00 0.00 1.34 0.00 0.00 72.50 72.69 1n43 s THR 42 CO 0.00 -0.72 -0.13 -0.47 -0.54 0.00 0.00 174.62 172.75 1n43 s TYR 43 N -2.80 1.29 -0.17 3.99 6.14 0.09 -0.32 117.35 125.56 1n43 s TYR 43 Ca 0.01 -0.30 0.00 0.00 0.64 0.00 0.00 57.07 57.42 1n43 s TYR 43 Cb -0.00 -0.86 0.04 0.00 0.42 0.00 0.00 41.96 41.55 1n43 s TYR 43 CO -0.04 -0.08 -0.09 -2.00 0.64 0.00 0.00 175.55 173.98 1n43 s GLU 44 N -0.08 1.84 0.12 4.97 2.12 0.76 -0.65 118.70 127.76 1n43 s GLU 44 Ca 0.01 -0.61 -0.23 0.00 0.36 0.00 0.00 54.97 54.50 1n43 s GLU 44 Cb -0.08 -2.12 -0.07 0.00 0.26 0.00 0.00 34.13 32.12 1n43 s GLU 44 CO 0.00 -0.37 0.68 0.45 -0.54 0.00 0.00 175.26 175.49 1n43 s SER 45 N 1.53 7.23 0.05 -1.70 0.15 -1.26 -1.05 113.70 118.65 1n43 s SER 45 Ca 0.01 1.46 0.26 0.00 0.70 0.00 0.00 55.95 58.39 1n43 s SER 45 Cb -0.15 -2.43 0.76 0.00 -1.71 0.00 0.00 66.02 62.49 1n43 s SER 45 CO -0.09 0.23 1.62 0.00 1.20 0.00 0.00 173.24 176.20 1n43 n ALA 46 N 1.74 2.85 -2.32 5.45 0.00 -1.26 -4.88 120.51 122.09 1n43 n ALA 46 Ca -0.08 -0.20 -0.16 0.00 0.00 0.00 0.00 53.44 53.00 1n43 n ALA 46 Cb 0.50 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.55 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 -3.05 0.70 0.00 0.00 -7.23 -1.26 -5.01 120.40 104.56 1n43 s VAL 47 Ca 0.11 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 1n43 s VAL 47 Cb 0.17 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.59 1n43 s VAL 47 CO 0.63 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.90 1n43 n GLY 48 N -0.44 -2.09 3.06 2.32 0.00 -1.26 -4.38 105.19 102.41 1n43 n GLY 48 Ca -0.02 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 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 0.79 2.65 -3.84 1.61 2.85 -1.26 -4.85 115.26 113.21 1n43 n ASN 49 Ca 0.00 -2.67 -0.12 0.00 -0.11 0.00 0.00 54.58 51.69 1n43 n ASN 49 Cb 0.00 -1.12 -0.10 0.00 1.24 0.00 0.00 39.78 39.79 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 4.88 -0.42 -0.14 5.20 0.00 -1.26 -4.55 121.76 125.47 1n43 s ALA 50 Ca 0.56 0.07 -0.08 0.00 0.00 0.00 0.00 51.96 52.51 1n43 s ALA 50 Cb 0.14 0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.33 1n43 s ALA 50 CO 0.11 -0.19 0.33 -2.00 0.00 0.00 0.00 175.76 174.00 1n43 s GLU 51 N -1.08 0.32 2.32 0.00 2.12 -1.26 -4.97 118.70 116.15 1n43 s GLU 51 Ca -0.12 0.63 0.00 0.00 0.36 0.00 0.00 54.97 55.85 1n43 s GLU 51 Cb -0.06 -0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.30 1n43 s GLU 51 CO 0.02 -0.14 0.00 0.45 -0.54 0.00 0.00 175.26 175.05 1n43 n SER 52 N 4.03 -2.47 -4.87 -1.70 2.88 -1.26 -4.86 113.62 105.36 1n43 n SER 52 Ca -0.22 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 56.99 1n43 n SER 52 Cb 0.55 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.95 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 3.80 0.11 -1.46 0.52 -1.26 -4.38 118.95 116.27 1n43 s ARG 53 Ca 0.00 0.26 0.07 0.00 -0.52 0.00 0.00 55.73 55.54 1n43 s ARG 53 Cb 0.00 -2.72 -0.03 0.00 0.52 0.00 0.00 34.95 32.72 1n43 s ARG 53 CO 0.00 0.36 -0.18 0.71 0.02 0.00 0.00 175.30 176.21 1n43 s TYR 54 N -1.74 1.62 0.23 -0.53 1.51 0.17 -4.89 117.35 113.73 1n43 s TYR 54 Ca 0.45 -0.45 -0.30 0.00 -1.01 0.00 0.00 57.07 55.76 1n43 s TYR 54 Cb -0.12 -0.87 -0.09 0.00 -0.11 0.00 0.00 41.96 40.76 1n43 s TYR 54 CO 0.21 0.18 1.31 0.08 -1.11 0.00 0.00 175.55 176.22 1n43 s VAL 55 N -1.41 3.09 0.11 0.71 1.01 -1.26 -0.73 120.40 121.91 1n43 s VAL 55 Ca 0.06 0.94 0.10 0.00 0.00 0.00 0.00 61.98 63.08 1n43 s VAL 55 Cb -0.09 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1n43 s VAL 55 CO 0.04 0.16 -0.25 -1.48 0.00 0.00 0.00 175.10 173.57 1n43 s LEU 56 N -0.52 2.29 0.01 3.92 0.05 -0.53 -4.35 118.68 119.55 1n43 s LEU 56 Ca 0.55 -0.70 -0.02 0.00 0.05 0.00 0.00 54.13 54.01 1n43 s LEU 56 Cb -0.37 -1.12 -0.01 0.00 -2.05 0.00 0.00 46.19 42.63 1n43 s LEU 56 CO 0.41 0.15 0.02 0.28 -0.55 0.00 0.00 176.35 176.67 1n43 s THR 57 N -1.04 0.09 0.00 5.48 -1.32 -1.13 -2.65 115.64 115.07 1n43 s THR 57 Ca 0.11 -0.77 0.00 0.00 -1.21 0.00 0.00 61.69 59.82 1n43 s THR 57 Cb -0.10 -0.29 0.00 0.00 -1.51 0.00 0.00 72.50 70.60 1n43 s THR 57 CO 0.05 -0.42 0.00 0.61 -2.21 0.00 0.00 174.62 172.64 1n43 n GLY 58 N 1.69 1.23 3.02 6.08 0.00 0.09 -1.25 105.19 116.06 1n43 n GLY 58 Ca -0.23 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.99 0.34 0.10 1.61 1.81 -0.84 -0.43 118.95 120.56 1n43 s ARG 59 Ca 0.00 -0.41 -0.01 0.00 -1.72 0.00 0.00 55.73 53.59 1n43 s ARG 59 Cb 0.00 0.13 -0.04 0.00 -0.45 0.00 0.00 34.95 34.59 1n43 s ARG 59 CO 0.00 -0.07 0.03 1.52 -0.68 0.00 0.00 175.30 176.10 1n43 s TYR 60 N -1.19 0.76 -0.59 -0.53 1.13 -0.45 -0.97 117.35 115.50 1n43 s TYR 60 Ca -0.13 -1.18 -0.28 0.00 -1.41 0.00 0.00 57.07 54.07 1n43 s TYR 60 Cb -0.08 -0.45 0.03 0.00 -1.10 0.00 0.00 41.96 40.36 1n43 s TYR 60 CO 0.00 -0.47 1.24 0.34 -2.51 0.00 0.00 175.55 174.16 1n43 s ASP 61 N -3.01 6.36 0.00 -0.18 2.15 -0.15 -4.63 116.67 117.21 1n43 s ASP 61 Ca 0.18 0.08 0.08 0.00 0.43 0.00 0.00 52.55 53.33 1n43 s ASP 61 Cb 0.08 -2.55 0.29 0.00 -0.30 0.00 0.00 42.92 40.43 1n43 s ASP 61 CO -0.02 -1.56 1.22 -1.54 -0.17 0.00 0.00 175.17 173.10 1n43 n SER 62 N 8.74 1.08 -3.11 -0.34 3.41 -1.26 -3.89 113.62 118.24 1n43 n SER 62 Ca 0.09 -1.94 -0.19 0.00 -0.26 0.00 0.00 58.87 56.57 1n43 n SER 62 Cb 0.49 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 1n43 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n43 n ALA 63 N 0.06 2.47 -0.63 7.33 0.00 -1.26 -5.04 120.51 123.45 1n43 n ALA 63 Ca 0.08 -3.56 -0.31 0.00 0.00 0.00 0.00 53.44 49.66 1n43 n ALA 63 Cb 0.18 -0.90 0.19 0.00 0.00 0.00 0.00 19.45 18.92 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 0.18 -1.16 -1.42 0.00 -0.04 -1.25 -4.99 135.00 126.32 1n43 n PRO 64 Ca 0.25 -0.29 -0.29 0.00 -0.04 0.00 0.00 63.50 63.13 1n43 n PRO 64 Cb 0.64 -2.19 0.15 0.00 -0.04 0.00 0.00 33.50 32.06 1n43 n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n43 s ALA 65 N -2.50 1.50 -0.54 0.55 0.00 -1.26 -4.97 121.76 114.53 1n43 s ALA 65 Ca 0.65 -0.48 0.06 0.00 0.00 0.00 0.00 51.96 52.20 1n43 s ALA 65 Cb -0.23 -3.06 0.18 0.00 0.00 0.00 0.00 23.12 20.01 1n43 s ALA 65 CO 0.62 -2.47 1.15 0.25 0.00 0.00 0.00 175.76 175.30 1n43 n THR 66 N -3.90 1.00 1.95 0.00 -2.24 -1.26 -4.55 114.28 105.27 1n43 n THR 66 Ca 0.06 -1.00 0.14 0.00 -2.27 0.00 0.00 64.05 60.98 1n43 n THR 66 Cb 0.59 0.50 0.81 0.00 -2.10 0.00 0.00 70.33 70.13 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 0.09 0.14 0.00 3.42 5.75 -1.26 -4.85 116.55 119.84 1n43 n ASP 67 Ca 0.07 -1.15 0.00 0.00 -0.01 0.00 0.00 54.79 53.69 1n43 n ASP 67 Cb 0.35 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 1n43 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n43 n GLY 68 N 0.96 0.87 3.77 6.12 0.00 -1.26 -5.07 105.19 110.58 1n43 n GLY 68 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.15 6.92 1.18 1.61 0.01 -1.26 -5.04 113.70 114.97 1n43 s SER 69 Ca 0.00 2.24 -0.14 0.00 1.31 0.00 0.00 55.95 59.36 1n43 s SER 69 Cb 0.00 -2.61 0.29 0.00 0.21 0.00 0.00 66.02 63.91 1n43 s SER 69 CO 0.00 -0.39 1.02 -0.83 0.41 0.00 0.00 173.24 173.46 1n43 s GLY 70 N -1.13 1.53 -0.29 3.44 0.00 -1.26 -4.75 107.32 104.86 1n43 s GLY 70 Ca 0.51 -0.26 -0.11 0.00 0.00 0.00 0.00 44.72 44.87 1n43 s GLY 70 CO 0.37 0.49 0.18 -1.59 0.00 0.00 0.00 173.10 172.55 1n43 s THR 71 N -2.51 5.06 0.30 0.90 2.01 -0.12 -4.77 115.64 116.51 1n43 s THR 71 Ca 0.68 -0.03 -0.29 0.00 0.31 0.00 0.00 61.69 62.36 1n43 s THR 71 Cb -0.23 -3.46 -0.10 0.00 0.01 0.00 0.00 72.50 68.72 1n43 s THR 71 CO 0.63 0.19 1.20 0.00 -0.69 0.00 0.00 174.62 175.96 1n43 s ALA 72 N 1.71 3.45 0.24 7.40 0.00 -1.26 -0.67 121.76 132.63 1n43 s ALA 72 Ca 0.06 1.07 -0.22 0.00 0.00 0.00 0.00 51.96 52.87 1n43 s ALA 72 Cb -0.16 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.59 1n43 s ALA 72 CO 0.09 -0.39 0.73 -0.48 0.00 0.00 0.00 175.76 175.71 1n43 s LEU 73 N -1.52 -0.30 0.10 0.00 0.05 -0.20 -0.98 118.68 115.84 1n43 s LEU 73 Ca 0.47 -0.49 -0.25 0.00 0.05 0.00 0.00 54.13 53.91 1n43 s LEU 73 Cb -0.36 2.63 0.07 0.00 -2.05 0.00 0.00 46.19 46.49 1n43 s LEU 73 CO 0.46 -1.23 0.62 -0.83 -0.55 0.00 0.00 176.35 174.82 1n43 s GLY 74 N -2.89 -0.61 0.15 -3.48 0.00 -0.14 -1.05 107.32 99.30 1n43 s GLY 74 Ca 0.10 0.71 -0.17 0.00 0.00 0.00 0.00 44.72 45.36 1n43 s GLY 74 CO 0.03 0.37 0.45 0.66 0.00 0.00 0.00 173.10 174.61 1n43 s TRP 75 N -3.06 -0.20 0.03 1.90 -2.14 -0.76 -1.98 118.94 112.72 1n43 s TRP 75 Ca -0.02 -0.11 0.06 0.00 2.66 0.00 0.00 56.10 58.68 1n43 s TRP 75 Cb -0.01 0.31 -0.02 0.00 -3.10 0.00 0.00 33.47 30.65 1n43 s TRP 75 CO -0.07 -0.77 -0.17 0.99 -2.66 0.00 0.00 176.95 174.27 1n43 s THR 76 N -3.82 1.37 -0.09 0.66 2.01 -0.38 -1.37 115.64 114.02 1n43 s THR 76 Ca 0.05 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 61.07 1n43 s THR 76 Cb 0.01 -1.20 0.01 0.00 0.01 0.00 0.00 72.50 71.33 1n43 s THR 76 CO -0.10 0.17 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.15 1n43 s VAL 77 N -0.72 1.50 -0.22 3.82 1.01 -0.22 -2.82 120.40 122.76 1n43 s VAL 77 Ca 0.05 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1n43 s VAL 77 Cb -0.08 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1n43 s VAL 77 CO 0.01 0.44 0.25 0.00 0.00 0.00 0.00 175.10 175.80 1n43 s ALA 78 N 0.68 3.59 -0.43 5.51 0.00 -1.26 -0.99 121.76 128.86 1n43 s ALA 78 Ca -0.13 -0.72 -0.06 0.00 0.00 0.00 0.00 51.96 51.05 1n43 s ALA 78 Cb -0.16 -2.43 -0.19 0.00 0.00 0.00 0.00 23.12 20.33 1n43 s ALA 78 CO 0.03 -0.19 3.14 0.91 0.00 0.00 0.00 175.76 179.66 1n43 n TRP 79 N 4.26 0.64 -4.32 0.00 7.02 -0.21 -4.73 117.44 120.09 1n43 n TRP 79 Ca -0.12 -1.78 -0.30 0.00 -1.02 0.00 0.00 57.50 54.28 1n43 n TRP 79 Cb 0.52 -1.72 -0.17 0.00 -2.42 0.00 0.00 31.31 27.52 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 1.58 2.34 0.00 -0.99 2.20 -1.26 -0.64 119.74 122.98 1n43 s LYS 80 Ca 0.61 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 1n43 s LYS 80 Cb 0.25 -2.03 0.00 0.00 -1.51 0.00 0.00 37.83 34.54 1n43 s LYS 80 CO -0.02 -0.12 0.00 0.27 -0.36 0.00 0.00 175.35 175.12 1n43 n ASN 81 N 4.39 0.00 0.13 1.43 0.23 -0.34 -4.81 115.26 116.29 1n43 n ASN 81 Ca -0.18 -0.35 0.11 0.00 -0.53 0.00 0.00 54.58 53.62 1n43 n ASN 81 Cb 0.51 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.70 1n43 n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1n43 n ASN 82 N -1.01 0.59 -0.07 0.53 3.02 -1.26 -3.39 115.26 113.67 1n43 n ASN 82 Ca 0.00 0.68 -0.07 0.00 -0.03 0.00 0.00 54.58 55.15 1n43 n ASN 82 Cb 0.00 -0.79 -0.11 0.00 -0.61 0.00 0.00 39.78 38.27 1n43 n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1n43 n TYR 83 N -2.19 0.00 -3.54 3.10 4.01 -1.26 -5.07 117.16 112.21 1n43 n TYR 83 Ca 0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.60 1n43 n TYR 83 Cb 0.17 -0.68 -0.06 0.00 -0.31 0.00 0.00 39.34 38.47 1n43 n TYR 83 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1n43 s ARG 84 N -2.33 0.89 -0.11 -0.72 3.52 -1.22 -5.09 118.95 113.89 1n43 s ARG 84 Ca -0.08 0.24 -0.02 0.00 -0.13 0.00 0.00 55.73 55.74 1n43 s ARG 84 Cb 0.04 0.42 0.04 0.00 -1.56 0.00 0.00 34.95 33.89 1n43 s ARG 84 CO 0.55 -0.27 0.02 1.21 -0.81 0.00 0.00 175.30 176.00 1n43 s ASN 85 N -1.12 1.95 0.00 -2.12 3.84 -1.26 -1.20 114.94 115.03 1n43 s ASN 85 Ca -0.08 -0.30 0.26 0.00 0.21 0.00 0.00 52.86 52.96 1n43 s ASN 85 Cb -0.00 -0.45 0.76 0.00 -0.55 0.00 0.00 41.25 41.01 1n43 s ASN 85 CO 0.07 -0.23 1.58 0.00 -2.79 0.00 0.00 177.10 175.72 1n43 n ALA 86 N 5.14 3.15 -3.72 1.71 0.00 0.19 -4.95 120.51 122.02 1n43 n ALA 86 Ca -0.07 -0.36 -0.22 0.00 0.00 0.00 0.00 53.44 52.79 1n43 n ALA 86 Cb 0.49 -1.17 0.03 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.99 -1.88 -3.82 0.00 8.25 -1.26 -4.82 115.22 110.70 1n43 n HIS 87 Ca 0.10 0.83 -0.10 0.00 -0.26 0.00 0.00 57.72 58.30 1n43 n HIS 87 Cb 0.33 -4.33 -0.05 0.00 1.12 0.00 0.00 29.99 27.06 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 -4.37 -0.11 -0.02 0.41 1.04 -1.26 -0.41 113.70 108.98 1n43 s SER 88 Ca 0.00 -0.63 -0.05 0.00 0.48 0.00 0.00 55.95 55.75 1n43 s SER 88 Cb -0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1n43 s SER 88 CO 0.82 -0.95 0.11 0.00 0.98 0.00 0.00 173.24 174.21 1n43 s ALA 89 N -3.90 -0.27 -0.04 5.32 0.00 -0.15 -1.05 121.76 121.67 1n43 s ALA 89 Ca 0.11 0.00 0.07 0.00 0.00 0.00 0.00 51.96 52.14 1n43 s ALA 89 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 1n43 s ALA 89 CO -0.03 -0.15 -0.24 0.99 0.00 0.00 0.00 175.76 176.34 1n43 s THR 90 N -0.83 1.90 -0.11 0.00 2.01 -0.16 -0.97 115.64 117.48 1n43 s THR 90 Ca -0.09 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 60.92 1n43 s THR 90 Cb -0.05 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 1n43 s THR 90 CO 0.01 0.54 -0.18 0.42 -0.69 0.00 0.00 174.62 174.71 1n43 s THR 91 N -0.34 2.62 -0.21 -0.82 -4.23 -0.63 -1.05 115.64 110.98 1n43 s THR 91 Ca 0.03 -0.82 -0.12 0.00 -1.18 0.00 0.00 61.69 59.60 1n43 s THR 91 Cb -0.11 -2.06 -0.05 0.00 1.34 0.00 0.00 72.50 71.62 1n43 s THR 91 CO 0.01 0.54 0.20 0.26 -0.54 0.00 0.00 174.62 175.09 1n43 s TRP 92 N 0.31 3.38 -0.09 3.99 0.51 -0.47 -1.41 118.94 125.14 1n43 s TRP 92 Ca -0.14 0.37 0.04 0.00 -2.12 0.00 0.00 56.10 54.25 1n43 s TRP 92 Cb -0.17 -2.28 -0.01 0.00 -0.81 0.00 0.00 33.47 30.21 1n43 s TRP 92 CO 0.07 0.16 -0.22 0.45 -0.51 0.00 0.00 176.95 176.90 1n43 s SER 93 N 0.73 3.30 0.00 2.95 0.15 0.14 -1.83 113.70 119.13 1n43 s SER 93 Ca 0.11 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1n43 s SER 93 Cb -0.13 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.90 1n43 s SER 93 CO 0.03 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1n43 n GLY 94 N 3.33 1.29 2.96 9.45 0.00 -0.21 -1.46 105.19 120.56 1n43 n GLY 94 Ca -0.18 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 1.31 0.23 -0.00 1.61 -2.07 -0.97 -1.03 119.66 118.74 1n43 s GLN 95 Ca 0.00 -0.35 -0.25 0.00 -1.82 0.00 0.00 55.36 52.93 1n43 s GLN 95 Cb 0.00 0.09 -0.04 0.00 -1.09 0.00 0.00 33.01 31.96 1n43 s GLN 95 CO 0.00 -0.04 0.78 -0.47 -1.32 0.00 0.00 175.29 174.23 1n43 s TYR 96 N -0.92 3.67 -0.09 9.60 5.04 0.15 -1.13 117.35 133.67 1n43 s TYR 96 Ca -0.10 1.43 0.04 0.00 -2.44 0.00 0.00 57.07 56.00 1n43 s TYR 96 Cb -0.06 -2.86 -0.00 0.00 0.35 0.00 0.00 41.96 39.38 1n43 s TYR 96 CO -0.00 0.16 -0.24 0.08 -1.34 0.00 0.00 175.55 174.21 1n43 s VAL 97 N 0.43 2.02 0.29 3.14 1.01 0.40 -0.94 120.40 126.75 1n43 s VAL 97 Ca 0.40 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 1n43 s VAL 97 Cb -0.20 -1.74 0.06 0.00 0.00 0.00 0.00 36.38 34.51 1n43 s VAL 97 CO 0.22 0.55 0.40 0.61 0.00 0.00 0.00 175.10 176.88 1n43 n GLY 98 N 3.38 0.60 0.00 4.51 0.00 -1.26 -0.01 105.19 112.41 1n43 n GLY 98 Ca -0.19 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 1.97 -1.25 0.00 -0.02 0.00 -1.26 -4.50 105.19 100.13 1n43 n GLY 99 Ca 0.06 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.24 0.00 -3.24 4.61 0.00 -1.26 -1.71 120.51 118.67 1n43 n ALA 100 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 1n43 n ALA 100 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1n43 n ALA 100 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1n43 s GLU 101 N 0.00 2.81 0.41 0.00 -6.30 -1.26 -5.06 118.70 109.30 1n43 s GLU 101 Ca 0.00 -1.58 -0.22 0.00 -2.50 0.00 0.00 54.97 50.67 1n43 s GLU 101 Cb 0.00 -4.09 -0.14 0.00 0.00 0.00 0.00 34.13 29.90 1n43 s GLU 101 CO 0.00 -1.16 0.34 0.00 0.02 0.00 0.00 175.26 174.46 1n43 n ALA 102 N 5.11 -2.20 -2.98 6.30 0.00 -0.69 -4.93 120.51 121.12 1n43 n ALA 102 Ca -0.12 0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 1n43 n ALA 102 Cb 0.42 -1.64 -0.08 0.00 0.00 0.00 0.00 19.45 18.15 1n43 n ALA 102 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1n43 s ARG 103 N -1.32 0.78 -0.26 0.00 3.52 0.99 -4.14 118.95 118.53 1n43 s ARG 103 Ca 0.62 -0.52 0.02 0.00 -0.13 0.00 0.00 55.73 55.72 1n43 s ARG 103 Cb -0.62 0.34 0.06 0.00 -1.56 0.00 0.00 34.95 33.16 1n43 s ARG 103 CO 0.60 -0.25 -0.09 0.42 -0.81 0.00 0.00 175.30 175.17 1n43 s ILE 104 N -2.53 2.02 -0.22 4.11 1.01 -0.73 0.15 121.20 125.01 1n43 s ILE 104 Ca -0.05 -1.56 -0.12 0.00 0.00 0.00 0.00 60.65 58.92 1n43 s ILE 104 Cb -0.01 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 1n43 s ILE 104 CO -0.03 -0.06 0.24 0.20 0.00 0.00 0.00 174.94 175.29 1n43 s ASN 105 N 1.17 6.25 0.25 3.58 0.01 -0.28 -0.39 114.94 125.53 1n43 s ASN 105 Ca -0.08 0.28 0.02 0.00 -0.71 0.00 0.00 52.86 52.37 1n43 s ASN 105 Cb -0.20 -2.15 -0.05 0.00 0.41 0.00 0.00 41.25 39.26 1n43 s ASN 105 CO -0.05 0.04 0.08 0.42 -1.51 0.00 0.00 177.10 176.08 1n43 s THR 106 N 1.00 0.64 0.11 1.60 -4.23 0.41 -2.28 115.64 112.88 1n43 s THR 106 Ca 0.12 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.71 1n43 s THR 106 Cb -0.14 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 1n43 s THR 106 CO 0.05 -0.06 -0.19 -1.10 -0.54 0.00 0.00 174.62 172.78 1n43 s GLN 107 N -4.01 1.10 0.04 3.99 -0.21 -0.53 -2.15 119.66 117.89 1n43 s GLN 107 Ca 0.36 -1.18 -0.00 0.00 0.02 0.00 0.00 55.36 54.56 1n43 s GLN 107 Cb 0.08 -1.27 -0.03 0.00 1.00 0.00 0.00 33.01 32.79 1n43 s GLN 107 CO 0.13 0.28 -0.03 1.67 -2.12 0.00 0.00 175.29 175.22 1n43 s TRP 108 N -1.38 0.43 -0.13 0.91 1.48 0.40 0.25 118.94 120.90 1n43 s TRP 108 Ca 0.07 -0.83 0.01 0.00 -1.06 0.00 0.00 56.10 54.29 1n43 s TRP 108 Cb -0.09 -0.31 0.02 0.00 -1.16 0.00 0.00 33.47 31.93 1n43 s TRP 108 CO 0.04 -0.29 -0.14 -0.51 -4.06 0.00 0.00 176.95 171.99 1n43 s LEU 109 N -2.29 1.66 -0.26 -4.66 1.43 -0.50 -1.65 118.68 112.41 1n43 s LEU 109 Ca -0.03 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1n43 s LEU 109 Cb 0.00 -1.10 0.04 0.00 0.03 0.00 0.00 46.19 45.15 1n43 s LEU 109 CO -0.06 -0.03 -0.07 -0.22 0.23 0.00 0.00 176.35 176.20 1n43 s LEU 110 N 1.25 3.30 -0.23 1.79 2.96 0.21 -1.60 118.68 126.36 1n43 s LEU 110 Ca -0.01 -1.05 -0.08 0.00 -0.22 0.00 0.00 54.13 52.76 1n43 s LEU 110 Cb -0.14 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1n43 s LEU 110 CO -0.06 -0.16 0.10 -0.89 -1.32 0.00 0.00 176.35 174.02 1n43 s THR 111 N 1.26 4.79 0.00 3.68 2.01 -0.15 -0.05 115.64 127.18 1n43 s THR 111 Ca -0.03 -0.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.89 1n43 s THR 111 Cb -0.18 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 1n43 s THR 111 CO -0.05 0.36 0.26 -0.44 -0.69 0.00 0.00 174.62 174.07 1n43 s SER 112 N 1.16 6.49 0.24 3.53 0.01 0.76 -0.98 113.70 124.91 1n43 s SER 112 Ca 0.05 0.55 -0.30 0.00 1.31 0.00 0.00 55.95 57.56 1n43 s SER 112 Cb -0.14 -2.09 -0.11 0.00 0.21 0.00 0.00 66.02 63.90 1n43 s SER 112 CO 0.04 0.26 1.54 -0.83 0.41 0.00 0.00 173.24 174.66 1n43 s GLY 113 N -1.68 2.01 0.10 3.44 0.00 0.45 -4.84 107.32 106.81 1n43 s GLY 113 Ca 0.27 1.44 -0.02 0.00 0.00 0.00 0.00 44.72 46.41 1n43 s GLY 113 CO 0.16 2.49 0.05 -0.51 0.00 0.00 0.00 173.10 175.28 1n43 s THR 114 N 0.32 0.14 1.08 0.90 -4.23 -1.26 -5.02 115.64 107.57 1n43 s THR 114 Ca 0.64 -1.81 -0.12 0.00 -1.18 0.00 0.00 61.69 59.22 1n43 s THR 114 Cb -0.45 -1.83 0.24 0.00 1.34 0.00 0.00 72.50 71.80 1n43 s THR 114 CO 0.41 -0.64 1.06 0.42 -0.54 0.00 0.00 174.62 175.34 1n43 s THR 115 N -3.99 2.09 0.21 3.99 -4.23 -1.26 -4.88 115.64 107.56 1n43 s THR 115 Ca 0.17 0.03 -0.09 0.00 -1.18 0.00 0.00 61.69 60.62 1n43 s THR 115 Cb 0.07 -2.12 0.15 0.00 1.34 0.00 0.00 72.50 71.93 1n43 s THR 115 CO -0.03 -0.04 1.78 -0.33 -0.54 0.00 0.00 174.62 175.47 1n43 h GLU 116 N -2.34 1.13 0.00 3.99 4.39 -2.00 -2.86 114.58 116.89 1n43 h GLU 116 Ca -0.56 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 58.95 1n43 h GLU 116 Cb 1.31 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1n43 h GLU 116 CO 0.49 0.90 0.00 0.00 -1.16 0.00 0.00 179.01 179.24 1n43 h ALA 117 N 1.17 1.00 -0.33 3.43 0.00 -2.06 -2.04 119.26 120.42 1n43 h ALA 117 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1n43 h ALA 117 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1n43 h ALA 117 CO -0.03 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.31 1n43 n ASN 118 N -2.44 4.24 0.09 0.00 3.02 -1.11 -4.62 115.26 114.45 1n43 n ASN 118 Ca 0.02 -2.95 -0.02 0.00 -0.03 0.00 0.00 54.58 51.60 1n43 n ASN 118 Cb 0.25 -0.56 0.24 0.00 -0.61 0.00 0.00 39.78 39.10 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 2.29 1.16 -0.92 5.41 0.00 -1.15 -2.37 119.26 123.69 1n43 h ALA 119 Ca 0.00 -0.37 0.26 0.00 0.00 0.00 0.00 54.91 54.80 1n43 h ALA 119 Cb 1.53 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1n43 h ALA 119 CO 0.27 0.55 0.65 0.11 0.00 0.00 0.00 179.25 180.83 1n43 h TRP 120 N 0.23 0.08 -0.68 0.00 5.08 -1.82 -1.43 115.95 117.42 1n43 h TRP 120 Ca 0.03 0.00 -0.44 0.00 1.08 0.00 0.00 58.89 59.56 1n43 h TRP 120 Cb 0.73 -0.02 -0.26 0.00 -3.00 0.00 0.00 29.16 26.61 1n43 h TRP 120 CO 0.01 0.02 -0.01 0.36 -1.28 0.00 0.00 178.44 177.54 1n43 n LYS 121 N -4.30 2.60 0.16 0.12 2.85 -0.89 -4.70 118.16 113.99 1n43 n LYS 121 Ca 0.19 -3.50 0.12 0.00 -1.05 0.00 0.00 58.31 54.07 1n43 n LYS 121 Cb 0.95 -2.10 0.09 0.00 -0.65 0.00 0.00 35.03 33.32 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 1.60 0.00 -3.40 -5.58 4.64 -1.35 -3.47 113.55 105.99 1n43 h SER 122 Ca 0.40 -0.01 -0.43 0.00 -0.47 0.00 0.00 61.79 61.28 1n43 h SER 122 Cb 1.50 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 63.25 1n43 h SER 122 CO 0.86 0.00 -0.78 -0.89 -0.87 0.00 0.00 176.83 175.15 1n43 s THR 123 N -3.28 0.59 -0.01 2.95 2.01 -1.26 -0.17 115.64 116.47 1n43 s THR 123 Ca 0.04 -0.12 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 1n43 s THR 123 Cb 0.07 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 1n43 s THR 123 CO 0.73 0.25 0.20 -0.76 -0.69 0.00 0.00 174.62 174.35 1n43 s LEU 124 N 1.14 4.37 -0.03 4.42 1.43 0.93 -4.92 118.68 126.02 1n43 s LEU 124 Ca -0.07 0.42 0.06 0.00 -1.03 0.00 0.00 54.13 53.50 1n43 s LEU 124 Cb -0.14 -2.59 -0.01 0.00 0.03 0.00 0.00 46.19 43.47 1n43 s LEU 124 CO -0.01 0.27 -0.22 0.54 0.23 0.00 0.00 176.35 177.16 1n43 s VAL 125 N -1.30 1.74 0.00 -1.59 0.11 -1.26 0.64 120.40 118.74 1n43 s VAL 125 Ca 0.26 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 1n43 s VAL 125 Cb -0.13 -1.45 0.00 0.00 -1.53 0.00 0.00 36.38 33.27 1n43 s VAL 125 CO 0.17 0.49 0.00 0.61 -3.33 0.00 0.00 175.10 173.04 1n43 n GLY 126 N 2.69 2.64 2.91 6.54 0.00 -0.66 -4.99 105.19 114.31 1n43 n GLY 126 Ca -0.16 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.72 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 -6.16 -0.04 -0.08 1.61 -3.43 -1.26 -0.45 115.29 105.47 1n43 s HIS 127 Ca 0.00 0.10 0.01 0.00 -0.80 0.00 0.00 55.06 54.38 1n43 s HIS 127 Cb 0.00 0.01 0.02 0.00 -1.43 0.00 0.00 32.58 31.17 1n43 s HIS 127 CO 0.00 -0.02 -0.11 -0.51 -2.00 0.00 0.00 174.74 172.10 1n43 s ASP 128 N 0.06 1.92 -0.17 7.38 1.01 -0.91 -4.98 116.67 120.98 1n43 s ASP 128 Ca -0.00 -0.31 -0.04 0.00 0.71 0.00 0.00 52.55 52.91 1n43 s ASP 128 Cb -0.01 -0.84 -0.03 0.00 1.01 0.00 0.00 42.92 43.05 1n43 s ASP 128 CO -0.00 -0.01 -0.03 -0.89 0.21 0.00 0.00 175.17 174.45 1n43 s THR 129 N 0.97 3.86 0.00 -1.27 2.01 -1.26 -0.44 115.64 119.51 1n43 s THR 129 Ca -0.09 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.56 1n43 s THR 129 Cb -0.15 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 1n43 s THR 129 CO -0.00 0.48 0.01 -0.36 -0.69 0.00 0.00 174.62 174.06 1n43 s PHE 130 N 0.55 3.10 0.11 4.92 0.08 0.48 -2.99 117.98 124.22 1n43 s PHE 130 Ca -0.03 0.09 0.01 0.00 0.12 0.00 0.00 56.93 57.12 1n43 s PHE 130 Cb -0.14 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.59 1n43 s PHE 130 CO 0.03 0.47 -0.02 0.95 -0.10 0.00 0.00 175.22 176.55 1n43 s THR 131 N -1.11 0.47 -0.23 0.64 -4.23 -0.81 -1.78 115.64 108.60 1n43 s THR 131 Ca 0.20 -1.91 0.28 0.00 -1.18 0.00 0.00 61.69 59.08 1n43 s THR 131 Cb -0.12 -1.80 0.35 0.00 1.34 0.00 0.00 72.50 72.28 1n43 s THR 131 CO 0.11 -0.75 1.80 0.11 -0.54 0.00 0.00 174.62 175.35 1n43 h LYS 132 N 2.94 0.00 0.00 3.99 1.79 -1.82 -0.24 116.57 123.23 1n43 h LYS 132 Ca -0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 1n43 h LYS 132 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1n43 h LYS 132 CO 0.64 0.00 0.00 1.33 -1.08 0.00 0.00 179.45 180.34