#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ndj h ILE 17 N 0.00 1.57 -2.43 -0.61 2.04 -1.97 -3.45 117.51 112.65 1ndj h ILE 17 Ca 0.00 -3.11 -0.54 0.00 1.00 0.00 0.00 64.86 62.21 1ndj h ILE 17 Cb 0.00 2.84 0.04 0.00 -0.74 0.00 0.00 36.82 38.96 1ndj h ILE 17 CO 0.00 0.90 1.08 0.41 0.00 0.00 0.00 178.15 180.54 1ndj n THR 18 N -3.50 0.34 -2.25 -0.27 -1.04 -1.26 -4.81 114.28 101.49 1ndj n THR 18 Ca -0.05 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1ndj n THR 18 Cb 0.97 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 1ndj n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ndj n GLY 19 N 4.16 -2.07 3.33 3.41 0.00 -0.27 -5.01 105.19 108.74 1ndj n GLY 19 Ca 0.18 -1.27 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 1ndj n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ndj s THR 20 N -2.56 3.58 0.19 2.61 2.01 -1.26 -0.85 115.64 119.36 1ndj s THR 20 Ca 0.00 -0.54 0.11 0.00 0.31 0.00 0.00 61.69 61.57 1ndj s THR 20 Cb 0.00 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 1ndj s THR 20 CO 0.00 0.32 -0.20 0.26 -0.69 0.00 0.00 174.62 174.31 1ndj s TRP 21 N 1.49 2.40 -0.01 4.92 0.52 0.59 -4.43 118.94 124.43 1ndj s TRP 21 Ca 0.05 -0.32 0.05 0.00 0.02 0.00 0.00 56.10 55.90 1ndj s TRP 21 Cb -0.15 -1.19 -0.01 0.00 -1.15 0.00 0.00 33.47 30.97 1ndj s TRP 21 CO -0.01 0.50 -0.16 0.71 0.02 0.00 0.00 176.95 178.00 1ndj s TYR 22 N -1.66 1.48 0.35 -1.98 1.51 0.11 -0.78 117.35 116.38 1ndj s TYR 22 Ca 0.22 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 56.01 1ndj s TYR 22 Cb -0.08 -0.96 0.06 0.00 -0.11 0.00 0.00 41.96 40.88 1ndj s TYR 22 CO 0.11 -0.03 0.48 0.27 -1.11 0.00 0.00 175.55 175.27 1ndj n ASN 23 N 2.71 0.92 0.13 2.29 0.23 -1.04 -1.99 115.26 118.51 1ndj n ASN 23 Ca -0.15 -1.72 0.10 0.00 -0.53 0.00 0.00 54.58 52.28 1ndj n ASN 23 Cb 0.54 -0.29 0.49 0.00 -2.08 0.00 0.00 39.78 38.44 1ndj n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ndj n GLN 24 N -1.83 0.13 0.02 -3.83 0.00 -1.10 -1.33 117.38 109.44 1ndj n GLN 24 Ca 0.09 0.55 0.12 0.00 0.00 0.00 0.00 57.00 57.75 1ndj n GLN 24 Cb 0.32 -1.87 0.12 0.00 0.00 0.00 0.00 30.24 28.81 1ndj n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1ndj n LEU 25 N -2.14 0.62 0.00 2.61 4.77 -1.26 -4.95 117.00 116.65 1ndj n LEU 25 Ca -0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1ndj n LEU 25 Cb 0.09 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1ndj n LEU 25 CO 0.11 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 1ndj n GLY 26 N 1.42 0.75 3.73 -0.72 0.00 -0.44 -4.76 105.19 105.17 1ndj n GLY 26 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1ndj n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ndj s SER 27 N -2.50 3.97 -0.20 1.61 0.01 -1.26 -4.76 113.70 110.57 1ndj s SER 27 Ca 0.00 1.98 -0.02 0.00 1.31 0.00 0.00 55.95 59.22 1ndj s SER 27 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1ndj s SER 27 CO 0.00 -2.40 -0.10 -0.89 0.41 0.00 0.00 173.24 170.26 1ndj s THR 28 N -2.76 2.91 -0.34 1.44 2.01 0.17 -2.50 115.64 116.56 1ndj s THR 28 Ca 0.64 -0.66 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 1ndj s THR 28 Cb -0.20 -2.29 0.07 0.00 0.01 0.00 0.00 72.50 70.10 1ndj s THR 28 CO 0.56 0.47 0.08 0.12 -0.69 0.00 0.00 174.62 175.16 1ndj s PHE 29 N 1.29 3.38 -0.40 4.92 5.36 0.04 -0.63 117.98 131.94 1ndj s PHE 29 Ca 0.04 -2.01 -0.10 0.00 -0.96 0.00 0.00 56.93 53.90 1ndj s PHE 29 Cb -0.14 -2.51 0.06 0.00 -0.34 0.00 0.00 43.02 40.08 1ndj s PHE 29 CO -0.05 -0.85 0.23 0.42 -1.46 0.00 0.00 175.22 173.50 1ndj s ILE 30 N 1.23 4.30 0.13 3.12 1.01 -0.07 -0.30 121.20 130.63 1ndj s ILE 30 Ca -0.00 -1.19 0.11 0.00 0.00 0.00 0.00 60.65 59.57 1ndj s ILE 30 Cb -0.21 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1ndj s ILE 30 CO -0.02 -0.38 -0.26 -0.69 0.00 0.00 0.00 174.94 173.60 1ndj s VAL 31 N 1.47 2.18 -0.16 2.92 1.01 -0.03 -1.29 120.40 126.50 1ndj s VAL 31 Ca 0.02 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.25 1ndj s VAL 31 Cb -0.21 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.26 1ndj s VAL 31 CO 0.04 0.04 -0.10 -0.89 0.00 0.00 0.00 175.10 174.19 1ndj s THR 32 N -1.14 1.39 -0.50 3.92 2.01 0.19 -1.12 115.64 120.38 1ndj s THR 32 Ca 0.13 -0.67 -0.18 0.00 0.31 0.00 0.00 61.69 61.29 1ndj s THR 32 Cb -0.10 -1.42 0.06 0.00 0.01 0.00 0.00 72.50 71.06 1ndj s THR 32 CO 0.06 0.29 0.57 0.00 -0.69 0.00 0.00 174.62 174.85 1ndj s ALA 33 N 1.54 3.43 1.07 7.40 0.00 -1.26 -1.30 121.76 132.65 1ndj s ALA 33 Ca 0.02 -1.86 -0.15 0.00 0.00 0.00 0.00 51.96 49.97 1ndj s ALA 33 Cb -0.14 -3.28 0.22 0.00 0.00 0.00 0.00 23.12 19.92 1ndj s ALA 33 CO -0.09 -1.95 1.12 0.20 0.00 0.00 0.00 175.76 175.05 1ndj s GLY 34 N 2.70 1.59 0.00 0.00 0.00 -0.28 -4.87 107.32 106.46 1ndj s GLY 34 Ca 0.12 -0.70 0.29 0.00 0.00 0.00 0.00 44.72 44.43 1ndj s GLY 34 CO 0.10 0.03 1.93 0.00 0.00 0.00 0.00 173.10 175.16 1ndj n ALA 35 N -4.34 2.65 1.02 3.20 0.00 -1.26 -3.15 120.51 118.62 1ndj n ALA 35 Ca 0.09 -0.21 0.12 0.00 0.00 0.00 0.00 53.44 53.44 1ndj n ALA 35 Cb 0.59 -1.40 0.06 0.00 0.00 0.00 0.00 19.45 18.70 1ndj n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ndj n ASP 36 N -1.15 2.45 0.00 0.00 5.75 -1.26 -4.95 116.55 117.38 1ndj n ASP 36 Ca 0.14 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 1ndj n ASP 36 Cb 0.27 0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1ndj n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ndj n GLY 37 N 1.38 1.16 3.83 6.12 0.00 -1.19 -4.95 105.19 111.55 1ndj n GLY 37 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1ndj n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ndj s ALA 38 N -2.00 3.62 -0.15 4.61 0.00 -1.26 -0.88 121.76 125.71 1ndj s ALA 38 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 51.96 51.84 1ndj s ALA 38 Cb 0.00 -2.52 -0.02 0.00 0.00 0.00 0.00 23.12 20.58 1ndj s ALA 38 CO 0.00 0.45 -0.08 -0.51 0.00 0.00 0.00 175.76 175.61 1ndj s LEU 39 N -1.43 2.98 0.02 0.00 1.02 0.22 -1.13 118.68 120.35 1ndj s LEU 39 Ca 0.31 -0.24 0.01 0.00 0.02 0.00 0.00 54.13 54.23 1ndj s LEU 39 Cb -0.17 -1.70 -0.01 0.00 0.02 0.00 0.00 46.19 44.33 1ndj s LEU 39 CO 0.18 0.16 -0.04 0.42 0.02 0.00 0.00 176.35 177.09 1ndj s THR 40 N 0.41 0.22 -4.56 5.49 -4.23 -0.42 -0.86 115.64 111.69 1ndj s THR 40 Ca -0.07 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1ndj s THR 40 Cb -0.15 -0.28 0.00 0.00 1.34 0.00 0.00 72.50 73.41 1ndj s THR 40 CO 0.04 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 1ndj n GLY 41 N 2.21 -0.52 3.05 3.99 0.00 -1.21 0.54 105.19 113.25 1ndj n GLY 41 Ca -0.19 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 1ndj n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ndj s THR 42 N -4.00 0.47 -0.06 2.61 -4.23 -0.41 -2.05 115.64 107.97 1ndj s THR 42 Ca 0.00 -1.09 0.06 0.00 -1.18 0.00 0.00 61.69 59.47 1ndj s THR 42 Cb 0.00 -0.60 -0.01 0.00 1.34 0.00 0.00 72.50 73.23 1ndj s THR 42 CO 0.00 -0.43 -0.24 0.12 -0.54 0.00 0.00 174.62 173.53 1ndj s PHE 43 N -1.52 2.34 -0.17 3.99 2.19 0.70 -0.89 117.98 124.62 1ndj s PHE 43 Ca -0.10 -0.70 -0.01 0.00 0.33 0.00 0.00 56.93 56.45 1ndj s PHE 43 Cb -0.09 -1.54 0.05 0.00 -1.31 0.00 0.00 43.02 40.13 1ndj s PHE 43 CO -0.00 -0.22 -0.03 -2.00 1.83 0.00 0.00 175.22 174.80 1ndj s GLU 44 N -0.12 1.26 0.06 10.12 2.12 0.19 -0.60 118.70 131.74 1ndj s GLU 44 Ca -0.04 -0.52 -0.19 0.00 0.36 0.00 0.00 54.97 54.58 1ndj s GLU 44 Cb -0.14 -2.04 -0.06 0.00 0.26 0.00 0.00 34.13 32.15 1ndj s GLU 44 CO 0.04 -0.48 0.55 0.45 -0.54 0.00 0.00 175.26 175.27 1ndj s SER 45 N 1.66 7.03 0.00 -1.70 0.15 -1.26 0.41 113.70 119.99 1ndj s SER 45 Ca -0.00 1.22 0.24 0.00 0.70 0.00 0.00 55.95 58.11 1ndj s SER 45 Cb -0.16 -2.35 0.27 0.00 -1.71 0.00 0.00 66.02 62.07 1ndj s SER 45 CO -0.07 0.27 1.25 0.00 1.20 0.00 0.00 173.24 175.89 1ndj n ALA 46 N 1.79 3.82 -2.46 5.45 0.00 -1.26 -4.69 120.51 123.16 1ndj n ALA 46 Ca -0.11 -0.47 -0.11 0.00 0.00 0.00 0.00 53.44 52.75 1ndj n ALA 46 Cb 0.51 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.88 1ndj n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ndj s VAL 47 N -2.84 0.60 0.00 0.00 -7.23 -1.26 -5.04 120.40 104.63 1ndj s VAL 47 Ca 0.14 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1ndj s VAL 47 Cb 0.17 -1.22 0.00 0.00 0.56 0.00 0.00 36.38 35.89 1ndj s VAL 47 CO 0.70 -0.68 0.00 0.61 -0.31 0.00 0.00 175.10 175.42 1ndj n GLY 48 N 0.59 -1.28 2.90 2.32 0.00 -1.26 -4.58 105.19 103.88 1ndj n GLY 48 Ca -0.17 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 1ndj n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ndj n ASN 49 N -0.60 4.44 -3.53 1.61 5.15 -1.26 -4.80 115.26 116.28 1ndj n ASN 49 Ca 0.00 -2.94 -0.17 0.00 -0.60 0.00 0.00 54.58 50.87 1ndj n ASN 49 Cb 0.00 -1.61 -0.06 0.00 -0.53 0.00 0.00 39.78 37.59 1ndj n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ndj s ALA 50 N 2.32 -1.65 -0.26 5.20 0.00 -1.26 -4.47 121.76 121.64 1ndj s ALA 50 Ca 0.45 1.08 -0.19 0.00 0.00 0.00 0.00 51.96 53.30 1ndj s ALA 50 Cb 0.11 0.16 0.07 0.00 0.00 0.00 0.00 23.12 23.46 1ndj s ALA 50 CO -0.04 -0.43 0.67 -1.83 0.00 0.00 0.00 175.76 174.14 1ndj s GLU 51 N -1.65 0.74 3.40 0.00 -1.05 -1.26 -4.91 118.70 113.97 1ndj s GLU 51 Ca -0.09 1.08 0.00 0.00 -0.15 0.00 0.00 54.97 55.81 1ndj s GLU 51 Cb -0.00 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 1ndj s GLU 51 CO 0.06 -0.12 0.00 0.45 0.95 0.00 0.00 175.26 176.59 1ndj n SER 52 N 3.56 -1.24 -4.88 0.83 2.88 -1.26 -4.85 113.62 108.66 1ndj n SER 52 Ca -0.17 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.04 1ndj n SER 52 Cb 0.57 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.98 1ndj n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ndj s ARG 53 N 0.00 3.68 0.00 -1.46 0.52 -1.26 -4.35 118.95 116.08 1ndj s ARG 53 Ca 0.00 0.04 0.06 0.00 -0.52 0.00 0.00 55.73 55.30 1ndj s ARG 53 Cb 0.00 -2.87 -0.02 0.00 0.52 0.00 0.00 34.95 32.58 1ndj s ARG 53 CO 0.00 0.48 -0.18 0.71 0.02 0.00 0.00 175.30 176.33 1ndj s TYR 54 N -1.59 1.58 0.34 -0.53 1.51 0.23 -4.88 117.35 114.01 1ndj s TYR 54 Ca 0.39 -0.31 -0.29 0.00 -1.01 0.00 0.00 57.07 55.85 1ndj s TYR 54 Cb -0.13 -1.00 -0.11 0.00 -0.11 0.00 0.00 41.96 40.62 1ndj s TYR 54 CO 0.22 -0.00 1.45 0.08 -1.11 0.00 0.00 175.55 176.19 1ndj s VAL 55 N -0.51 2.30 0.21 0.71 1.01 -1.26 -0.22 120.40 122.63 1ndj s VAL 55 Ca 0.06 0.28 0.09 0.00 0.00 0.00 0.00 61.98 62.41 1ndj s VAL 55 Cb -0.07 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1ndj s VAL 55 CO -0.00 0.06 -0.16 -1.48 0.00 0.00 0.00 175.10 173.52 1ndj s LEU 56 N -1.55 2.54 -0.04 3.92 0.05 -0.87 -4.36 118.68 118.37 1ndj s LEU 56 Ca 0.54 -0.99 -0.21 0.00 0.05 0.00 0.00 54.13 53.52 1ndj s LEU 56 Cb -0.44 -0.79 0.04 0.00 -2.05 0.00 0.00 46.19 42.95 1ndj s LEU 56 CO 0.56 -0.10 0.47 0.28 -0.55 0.00 0.00 176.35 177.01 1ndj s THR 57 N -2.69 0.03 0.00 5.48 -1.32 -0.82 -3.28 115.64 113.03 1ndj s THR 57 Ca 0.23 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1ndj s THR 57 Cb -0.03 -0.77 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 1ndj s THR 57 CO 0.08 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.97 1ndj n GLY 58 N 1.24 0.99 3.15 6.08 0.00 -0.04 -1.23 105.19 115.38 1ndj n GLY 58 Ca -0.20 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 1ndj n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ndj s ARG 59 N -0.37 0.79 0.08 1.61 1.81 -0.84 0.71 118.95 122.74 1ndj s ARG 59 Ca 0.00 -1.16 -0.06 0.00 -1.72 0.00 0.00 55.73 52.80 1ndj s ARG 59 Cb 0.00 -0.37 -0.02 0.00 -0.45 0.00 0.00 34.95 34.11 1ndj s ARG 59 CO 0.00 0.04 0.12 1.52 -0.68 0.00 0.00 175.30 176.30 1ndj s TYR 60 N -2.70 0.31 -0.47 -0.53 1.13 -0.05 -1.48 117.35 113.55 1ndj s TYR 60 Ca 0.05 -0.77 -0.28 0.00 -1.41 0.00 0.00 57.07 54.65 1ndj s TYR 60 Cb -0.01 -0.18 0.01 0.00 -1.10 0.00 0.00 41.96 40.68 1ndj s TYR 60 CO -0.02 -0.50 1.38 0.34 -2.51 0.00 0.00 175.55 174.24 1ndj s ASP 61 N -2.89 6.30 0.48 -0.18 -1.08 -0.78 -4.57 116.67 113.95 1ndj s ASP 61 Ca 0.07 0.58 0.30 0.00 -0.52 0.00 0.00 52.55 52.99 1ndj s ASP 61 Cb 0.06 -2.54 1.14 0.00 -1.46 0.00 0.00 42.92 40.12 1ndj s ASP 61 CO -0.09 -1.51 1.88 0.77 0.52 0.00 0.00 175.17 176.74 1ndj h SER 62 N 10.64 0.00 -2.04 -0.34 4.64 -1.92 -3.34 113.55 121.20 1ndj h SER 62 Ca -0.27 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.48 1ndj h SER 62 Cb 1.09 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.77 1ndj h SER 62 CO 1.12 0.00 -0.71 0.00 -0.87 0.00 0.00 176.83 176.37 1ndj n ALA 63 N -2.04 4.60 -0.61 5.18 0.00 -1.26 -5.07 120.51 121.31 1ndj n ALA 63 Ca 0.01 -4.49 -0.30 0.00 0.00 0.00 0.00 53.44 48.66 1ndj n ALA 63 Cb 0.33 -0.70 0.20 0.00 0.00 0.00 0.00 19.45 19.29 1ndj n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ndj s PRO 64 N -3.43 0.34 0.83 0.00 0.04 -1.26 -4.94 135.00 126.59 1ndj s PRO 64 Ca 0.48 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 62.77 1ndj s PRO 64 Cb 0.32 -1.66 0.09 0.00 0.04 0.00 0.00 34.50 33.29 1ndj s PRO 64 CO -0.15 -3.04 1.10 0.00 0.04 0.00 0.00 177.00 174.95 1ndj s ALA 65 N -2.57 1.89 -0.63 8.56 0.00 -1.26 -4.95 121.76 122.81 1ndj s ALA 65 Ca 0.68 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.86 1ndj s ALA 65 Cb -0.24 -3.27 0.40 0.00 0.00 0.00 0.00 23.12 20.01 1ndj s ALA 65 CO 0.60 -2.11 1.65 0.25 0.00 0.00 0.00 175.76 176.15 1ndj n THR 66 N -3.75 3.10 -0.49 0.00 -2.24 -1.26 -4.57 114.28 105.06 1ndj n THR 66 Ca 0.09 -4.29 0.05 0.00 -2.27 0.00 0.00 64.05 57.62 1ndj n THR 66 Cb 0.53 -1.23 0.06 0.00 -2.10 0.00 0.00 70.33 67.60 1ndj n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ndj n ASP 67 N -0.60 2.15 0.00 3.42 3.85 -1.26 -4.94 116.55 119.17 1ndj n ASP 67 Ca 0.49 -2.49 0.00 0.00 -0.71 0.00 0.00 54.79 52.09 1ndj n ASP 67 Cb 0.51 -0.19 0.00 0.00 -1.35 0.00 0.00 41.12 40.09 1ndj n ASP 67 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ndj n GLY 68 N -0.92 1.13 3.73 6.12 0.00 -1.26 -5.05 105.19 108.95 1ndj n GLY 68 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1ndj n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ndj s SER 69 N -2.88 4.65 1.13 1.61 0.01 -1.26 -4.99 113.70 111.98 1ndj s SER 69 Ca 0.00 2.61 -0.19 0.00 1.31 0.00 0.00 55.95 59.68 1ndj s SER 69 Cb 0.00 -2.62 0.27 0.00 0.21 0.00 0.00 66.02 63.88 1ndj s SER 69 CO 0.00 -1.97 1.20 -0.83 0.41 0.00 0.00 173.24 172.05 1ndj s GLY 70 N -1.40 1.67 -0.35 3.44 0.00 -1.26 -4.81 107.32 104.61 1ndj s GLY 70 Ca 0.82 -1.13 -0.10 0.00 0.00 0.00 0.00 44.72 44.31 1ndj s GLY 70 CO 0.39 -0.25 0.17 -1.59 0.00 0.00 0.00 173.10 171.83 1ndj s THR 71 N -3.37 4.44 0.44 0.90 2.01 0.48 -4.74 115.64 115.79 1ndj s THR 71 Ca 0.73 -0.78 -0.25 0.00 0.31 0.00 0.00 61.69 61.71 1ndj s THR 71 Cb -0.06 -3.42 -0.08 0.00 0.01 0.00 0.00 72.50 68.95 1ndj s THR 71 CO 0.55 -0.14 1.26 0.00 -0.69 0.00 0.00 174.62 175.61 1ndj s ALA 72 N 1.55 3.11 0.27 7.40 0.00 -1.26 -0.10 121.76 132.72 1ndj s ALA 72 Ca 0.02 1.15 -0.20 0.00 0.00 0.00 0.00 51.96 52.93 1ndj s ALA 72 Cb -0.19 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.49 1ndj s ALA 72 CO 0.06 -0.84 0.68 -0.48 0.00 0.00 0.00 175.76 175.18 1ndj s LEU 73 N -2.75 -0.21 0.05 0.00 0.05 0.80 -1.87 118.68 114.75 1ndj s LEU 73 Ca 0.61 -0.59 -0.20 0.00 0.05 0.00 0.00 54.13 54.00 1ndj s LEU 73 Cb -0.35 2.60 0.04 0.00 -2.05 0.00 0.00 46.19 46.43 1ndj s LEU 73 CO 0.44 -1.29 0.45 -0.83 -0.55 0.00 0.00 176.35 174.57 1ndj s GLY 74 N -2.92 -0.34 0.21 -3.48 0.00 -0.55 -1.02 107.32 99.22 1ndj s GLY 74 Ca 0.11 0.38 -0.11 0.00 0.00 0.00 0.00 44.72 45.11 1ndj s GLY 74 CO 0.05 0.11 0.37 0.66 0.00 0.00 0.00 173.10 174.29 1ndj s TRP 75 N -2.61 0.41 0.00 1.90 -2.14 -0.11 -1.98 118.94 114.41 1ndj s TRP 75 Ca -0.04 -0.76 0.03 0.00 2.66 0.00 0.00 56.10 57.99 1ndj s TRP 75 Cb -0.00 0.04 -0.01 0.00 -3.10 0.00 0.00 33.47 30.39 1ndj s TRP 75 CO -0.03 -0.84 -0.09 0.99 -2.66 0.00 0.00 176.95 174.31 1ndj s THR 76 N -4.00 0.73 -0.09 0.66 2.01 -0.37 -1.00 115.64 113.59 1ndj s THR 76 Ca 0.21 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1ndj s THR 76 Cb 0.02 -0.63 0.02 0.00 0.01 0.00 0.00 72.50 71.91 1ndj s THR 76 CO 0.05 0.13 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.32 1ndj s VAL 77 N -0.36 1.10 -0.24 3.82 1.01 -0.37 -1.95 120.40 123.41 1ndj s VAL 77 Ca 0.02 -0.41 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 1ndj s VAL 77 Cb -0.04 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1ndj s VAL 77 CO -0.00 0.36 0.32 0.00 0.00 0.00 0.00 175.10 175.78 1ndj s ALA 78 N 1.08 3.57 -0.10 5.51 0.00 -1.26 -0.52 121.76 130.04 1ndj s ALA 78 Ca -0.07 -0.76 -0.05 0.00 0.00 0.00 0.00 51.96 51.08 1ndj s ALA 78 Cb -0.14 -2.58 -0.20 0.00 0.00 0.00 0.00 23.12 20.19 1ndj s ALA 78 CO -0.01 -0.43 2.92 0.91 0.00 0.00 0.00 175.76 179.15 1ndj n TRP 79 N 4.80 0.15 -4.96 0.00 7.02 -0.02 -4.74 117.44 119.68 1ndj n TRP 79 Ca -0.10 -1.28 -0.32 0.00 -1.02 0.00 0.00 57.50 54.77 1ndj n TRP 79 Cb 0.51 -1.40 -0.15 0.00 -2.42 0.00 0.00 31.31 27.85 1ndj n TRP 79 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 1ndj s LYS 80 N 1.54 3.13 0.29 -0.99 -2.85 -1.26 -1.16 119.74 118.44 1ndj s LYS 80 Ca 0.53 -0.76 -0.05 0.00 -1.00 0.00 0.00 55.97 54.68 1ndj s LYS 80 Cb 0.24 -2.47 0.02 0.00 -2.06 0.00 0.00 37.83 33.57 1ndj s LYS 80 CO -0.00 0.26 0.48 0.27 0.10 0.00 0.00 175.35 176.46 1ndj n ASN 81 N 3.35 -1.36 0.13 0.03 0.23 0.71 -4.78 115.26 113.57 1ndj n ASN 81 Ca -0.18 -2.40 0.09 0.00 -0.53 0.00 0.00 54.58 51.56 1ndj n ASN 81 Cb 0.53 2.40 0.49 0.00 -2.08 0.00 0.00 39.78 41.12 1ndj n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ndj n ASN 82 N -1.60 0.48 -0.02 0.53 4.13 -1.26 -2.34 115.26 115.17 1ndj n ASN 82 Ca -0.02 0.71 0.03 0.00 1.68 0.00 0.00 54.58 56.97 1ndj n ASN 82 Cb 0.46 -0.78 -0.10 0.00 -1.54 0.00 0.00 39.78 37.82 1ndj n ASN 82 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1ndj n TYR 83 N -2.13 0.00 -3.50 3.10 4.01 -1.26 -5.05 117.16 112.32 1ndj n TYR 83 Ca -0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.61 1ndj n TYR 83 Cb 0.05 -0.41 -0.03 0.00 -0.31 0.00 0.00 39.34 38.64 1ndj n TYR 83 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1ndj s ARG 84 N -2.75 1.17 -0.15 -0.72 3.52 -0.99 -5.10 118.95 113.93 1ndj s ARG 84 Ca -0.05 -0.42 -0.04 0.00 -0.13 0.00 0.00 55.73 55.09 1ndj s ARG 84 Cb 0.07 0.54 0.06 0.00 -1.56 0.00 0.00 34.95 34.06 1ndj s ARG 84 CO 0.55 -0.48 0.13 1.21 -0.81 0.00 0.00 175.30 175.91 1ndj s ASN 85 N -2.49 1.65 0.00 -2.12 3.84 -1.26 -0.21 114.94 114.35 1ndj s ASN 85 Ca -0.01 -0.25 0.27 0.00 0.21 0.00 0.00 52.86 53.08 1ndj s ASN 85 Cb -0.00 0.03 0.85 0.00 -0.55 0.00 0.00 41.25 41.58 1ndj s ASN 85 CO -0.09 -0.31 1.63 0.00 -2.79 0.00 0.00 177.10 175.54 1ndj n ALA 86 N 5.30 3.02 -3.58 1.71 0.00 -0.31 -4.94 120.51 121.72 1ndj n ALA 86 Ca -0.06 -0.37 -0.21 0.00 0.00 0.00 0.00 53.44 52.81 1ndj n ALA 86 Cb 0.49 -1.18 0.05 0.00 0.00 0.00 0.00 19.45 18.82 1ndj n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ndj n HIS 87 N -0.75 -2.05 -3.83 0.00 8.25 -1.26 -4.84 115.22 110.75 1ndj n HIS 87 Ca 0.12 0.82 -0.10 0.00 -0.26 0.00 0.00 57.72 58.31 1ndj n HIS 87 Cb 0.33 -4.41 -0.05 0.00 1.12 0.00 0.00 29.99 26.97 1ndj n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1ndj s SER 88 N -4.14 -0.11 -0.05 0.41 1.04 -1.26 -1.23 113.70 108.36 1ndj s SER 88 Ca 0.11 -0.63 -0.04 0.00 0.48 0.00 0.00 55.95 55.87 1ndj s SER 88 Cb -0.03 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.60 1ndj s SER 88 CO 0.79 -0.94 0.13 0.00 0.98 0.00 0.00 173.24 174.20 1ndj s ALA 89 N -3.90 -0.31 -0.01 5.32 0.00 0.36 -0.84 121.76 122.38 1ndj s ALA 89 Ca 0.11 0.43 0.04 0.00 0.00 0.00 0.00 51.96 52.55 1ndj s ALA 89 Cb 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1ndj s ALA 89 CO -0.03 -0.08 -0.13 0.99 0.00 0.00 0.00 175.76 176.50 1ndj s THR 90 N 0.30 3.15 -0.04 0.00 2.01 0.32 -0.56 115.64 120.82 1ndj s THR 90 Ca -0.02 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.16 1ndj s THR 90 Cb -0.03 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.17 1ndj s THR 90 CO -0.01 0.47 -0.18 0.42 -0.69 0.00 0.00 174.62 174.62 1ndj s THR 91 N -0.86 1.53 -0.15 -0.82 -4.23 -0.25 -1.23 115.64 109.63 1ndj s THR 91 Ca 0.14 -0.78 -0.04 0.00 -1.18 0.00 0.00 61.69 59.84 1ndj s THR 91 Cb -0.11 -1.31 -0.03 0.00 1.34 0.00 0.00 72.50 72.39 1ndj s THR 91 CO 0.04 0.44 -0.03 0.26 -0.54 0.00 0.00 174.62 174.78 1ndj s TRP 92 N -0.02 3.04 -0.07 3.99 0.51 -0.17 -0.74 118.94 125.48 1ndj s TRP 92 Ca -0.03 -0.24 0.04 0.00 -2.12 0.00 0.00 56.10 53.75 1ndj s TRP 92 Cb -0.12 -1.95 0.00 0.00 -0.81 0.00 0.00 33.47 30.60 1ndj s TRP 92 CO 0.02 0.01 -0.19 0.45 -0.51 0.00 0.00 176.95 176.73 1ndj s SER 93 N 0.26 2.52 0.00 2.95 0.15 -0.28 -0.93 113.70 118.37 1ndj s SER 93 Ca -0.02 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1ndj s SER 93 Cb -0.14 -0.96 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 1ndj s SER 93 CO 0.03 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1ndj n GLY 94 N 3.40 0.74 2.98 9.45 0.00 -0.19 -1.39 105.19 120.19 1ndj n GLY 94 Ca -0.19 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 1ndj n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ndj s GLN 95 N 0.72 0.28 0.06 1.61 -2.07 -0.76 -0.14 119.66 119.36 1ndj s GLN 95 Ca 0.00 -0.46 -0.27 0.00 -1.82 0.00 0.00 55.36 52.82 1ndj s GLN 95 Cb 0.00 0.11 -0.05 0.00 -1.09 0.00 0.00 33.01 31.97 1ndj s GLN 95 CO 0.00 -0.05 0.84 -0.47 -1.32 0.00 0.00 175.29 174.29 1ndj s TYR 96 N -1.17 3.75 -0.28 9.60 5.04 0.85 -2.28 117.35 132.86 1ndj s TYR 96 Ca -0.13 1.59 0.03 0.00 -2.44 0.00 0.00 57.07 56.12 1ndj s TYR 96 Cb -0.08 -2.91 0.07 0.00 0.35 0.00 0.00 41.96 39.39 1ndj s TYR 96 CO -0.00 0.23 -0.06 0.08 -1.34 0.00 0.00 175.55 174.45 1ndj s VAL 97 N 0.05 2.29 1.02 3.14 1.01 0.30 -0.39 120.40 127.81 1ndj s VAL 97 Ca 0.42 -1.77 -0.13 0.00 0.00 0.00 0.00 61.98 60.51 1ndj s VAL 97 Cb -0.21 -2.42 0.20 0.00 0.00 0.00 0.00 36.38 33.95 1ndj s VAL 97 CO 0.25 -0.16 1.09 -0.83 0.00 0.00 0.00 175.10 175.45 1ndj s GLY 98 N 1.09 1.56 0.00 4.51 0.00 -1.26 -1.59 107.32 111.62 1ndj s GLY 98 Ca -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.29 1ndj s GLY 98 CO -0.05 0.25 0.00 0.61 0.00 0.00 0.00 173.10 173.90 1ndj n GLY 99 N -1.02 0.83 0.17 0.20 0.00 -1.26 -4.74 105.19 99.37 1ndj n GLY 99 Ca 0.05 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.25 1ndj n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ndj h ALA 100 N 0.00 -0.33 -1.01 4.61 0.00 -2.06 -3.33 119.26 117.13 1ndj h ALA 100 Ca 0.00 -0.17 -0.75 0.00 0.00 0.00 0.00 54.91 53.99 1ndj h ALA 100 Cb 0.00 0.13 -0.15 0.00 0.00 0.00 0.00 17.79 17.77 1ndj h ALA 100 CO 0.00 -0.36 1.97 0.39 0.00 0.00 0.00 179.25 181.24 1ndj n GLU 101 N -5.00 3.49 -1.90 0.00 1.02 -1.26 -5.00 120.64 111.98 1ndj n GLU 101 Ca -0.07 -3.52 -0.42 0.00 -0.02 0.00 0.00 57.16 53.13 1ndj n GLU 101 Cb 0.23 -3.00 -0.03 0.00 -0.02 0.00 0.00 31.44 28.62 1ndj n GLU 101 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ndj s ALA 102 N 1.03 3.80 0.04 0.62 0.00 -1.25 -4.91 121.76 121.08 1ndj s ALA 102 Ca 0.41 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.78 1ndj s ALA 102 Cb 0.07 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1ndj s ALA 102 CO -0.00 -0.80 -0.04 0.50 0.00 0.00 0.00 175.76 175.41 1ndj s ARG 103 N 1.11 0.50 -0.19 0.00 3.52 -0.62 -4.43 118.95 118.83 1ndj s ARG 103 Ca 0.71 -0.91 0.01 0.00 -0.13 0.00 0.00 55.73 55.40 1ndj s ARG 103 Cb -0.45 0.04 0.04 0.00 -1.56 0.00 0.00 34.95 33.02 1ndj s ARG 103 CO 0.32 -0.05 -0.10 0.42 -0.81 0.00 0.00 175.30 175.08 1ndj s ILE 104 N -2.46 1.58 -0.23 4.11 1.01 0.08 -0.54 121.20 124.75 1ndj s ILE 104 Ca -0.05 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 1ndj s ILE 104 Cb -0.03 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 1ndj s ILE 104 CO -0.04 0.17 0.17 0.20 0.00 0.00 0.00 174.94 175.44 1ndj s ASN 105 N 1.42 6.16 0.18 3.58 0.01 -0.97 -0.06 114.94 125.27 1ndj s ASN 105 Ca -0.01 0.16 0.02 0.00 -0.71 0.00 0.00 52.86 52.32 1ndj s ASN 105 Cb -0.16 -2.11 -0.05 0.00 0.41 0.00 0.00 41.25 39.34 1ndj s ASN 105 CO -0.08 0.08 0.01 0.42 -1.51 0.00 0.00 177.10 176.01 1ndj s THR 106 N 0.95 0.70 0.07 1.60 -4.23 0.12 -1.83 115.64 113.02 1ndj s THR 106 Ca 0.08 -1.99 0.10 0.00 -1.18 0.00 0.00 61.69 58.70 1ndj s THR 106 Cb -0.13 -2.17 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 1ndj s THR 106 CO 0.04 -0.43 -0.26 -1.10 -0.54 0.00 0.00 174.62 172.33 1ndj s GLN 107 N -3.92 1.71 0.08 3.99 -0.21 -0.48 -1.86 119.66 118.98 1ndj s GLN 107 Ca 0.25 -1.17 0.01 0.00 0.02 0.00 0.00 55.36 54.48 1ndj s GLN 107 Cb 0.06 -1.98 -0.04 0.00 1.00 0.00 0.00 33.01 32.05 1ndj s GLN 107 CO 0.05 0.50 -0.06 1.67 -2.12 0.00 0.00 175.29 175.33 1ndj s TRP 108 N -0.89 0.78 -0.10 0.91 1.48 0.12 -1.12 118.94 120.10 1ndj s TRP 108 Ca 0.13 -0.90 0.01 0.00 -1.06 0.00 0.00 56.10 54.27 1ndj s TRP 108 Cb -0.10 -0.47 0.02 0.00 -1.16 0.00 0.00 33.47 31.76 1ndj s TRP 108 CO 0.04 -0.19 -0.13 -0.51 -4.06 0.00 0.00 176.95 172.09 1ndj s LEU 109 N -2.86 1.58 -0.36 -4.66 1.43 0.08 -2.16 118.68 111.74 1ndj s LEU 109 Ca 0.08 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 1ndj s LEU 109 Cb 0.04 -0.99 0.08 0.00 0.03 0.00 0.00 46.19 45.36 1ndj s LEU 109 CO -0.05 -0.02 0.12 -0.22 0.23 0.00 0.00 176.35 176.41 1ndj s LEU 110 N 1.13 4.68 -0.19 1.79 2.96 0.30 -1.09 118.68 128.26 1ndj s LEU 110 Ca -0.04 -1.66 -0.13 0.00 -0.22 0.00 0.00 54.13 52.08 1ndj s LEU 110 Cb -0.14 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 1ndj s LEU 110 CO -0.03 -0.42 0.24 -0.89 -1.32 0.00 0.00 176.35 173.93 1ndj s THR 111 N 1.21 5.33 -0.16 3.68 2.01 0.28 -0.83 115.64 127.17 1ndj s THR 111 Ca 0.02 0.41 -0.06 0.00 0.31 0.00 0.00 61.69 62.37 1ndj s THR 111 Cb -0.21 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1ndj s THR 111 CO -0.02 0.38 0.06 -0.44 -0.69 0.00 0.00 174.62 173.91 1ndj s SER 112 N 0.61 5.67 -0.02 3.53 0.01 0.07 -0.48 113.70 123.07 1ndj s SER 112 Ca 0.13 0.15 -0.30 0.00 1.31 0.00 0.00 55.95 57.24 1ndj s SER 112 Cb -0.13 -1.89 -0.08 0.00 0.21 0.00 0.00 66.02 64.13 1ndj s SER 112 CO 0.03 0.24 2.00 -0.83 0.41 0.00 0.00 173.24 175.10 1ndj s GLY 113 N -0.06 1.26 0.33 3.44 0.00 -0.36 -4.79 107.32 107.14 1ndj s GLY 113 Ca 0.06 1.19 0.08 0.00 0.00 0.00 0.00 44.72 46.06 1ndj s GLY 113 CO 0.01 3.52 -0.07 -0.51 0.00 0.00 0.00 173.10 176.05 1ndj s THR 114 N 5.25 2.05 1.10 0.90 -4.23 -1.26 -4.99 115.64 114.47 1ndj s THR 114 Ca 0.90 -2.17 -0.18 0.00 -1.18 0.00 0.00 61.69 59.06 1ndj s THR 114 Cb -0.40 -2.63 0.27 0.00 1.34 0.00 0.00 72.50 71.08 1ndj s THR 114 CO 0.40 -0.20 0.97 0.35 -0.54 0.00 0.00 174.62 175.59 1ndj n THR 115 N -0.75 0.00 0.08 3.99 -2.24 -1.26 -4.85 114.28 109.25 1ndj n THR 115 Ca -0.05 -0.42 -0.10 0.00 -2.27 0.00 0.00 64.05 61.21 1ndj n THR 115 Cb 0.64 -1.21 -0.09 0.00 -2.10 0.00 0.00 70.33 67.57 1ndj n THR 115 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ndj h GLU 116 N 0.00 0.13 0.00 -0.78 5.08 -2.02 -2.80 114.58 114.19 1ndj h GLU 116 Ca -0.37 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 57.77 1ndj h GLU 116 Cb 1.12 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1ndj h GLU 116 CO 0.24 1.05 -0.09 0.00 -1.00 0.00 0.00 179.01 179.21 1ndj h ALA 117 N 0.87 1.52 -0.02 3.43 0.00 -2.07 -2.83 119.26 120.16 1ndj h ALA 117 Ca -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ndj h ALA 117 Cb 1.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1ndj h ALA 117 CO 0.15 0.11 -0.28 0.09 0.00 0.00 0.00 179.25 179.32 1ndj n ASN 118 N -3.95 2.08 0.04 0.00 3.02 -1.20 -4.50 115.26 110.75 1ndj n ASN 118 Ca -0.02 -1.54 0.20 0.00 -0.03 0.00 0.00 54.58 53.18 1ndj n ASN 118 Cb 0.18 0.33 0.72 0.00 -0.61 0.00 0.00 39.78 40.40 1ndj n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ndj h ALA 119 N 3.51 2.34 -0.28 5.41 0.00 -1.23 -0.29 119.26 128.71 1ndj h ALA 119 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ndj h ALA 119 Cb 0.71 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1ndj h ALA 119 CO 0.00 -0.60 0.19 0.11 0.00 0.00 0.00 179.25 178.95 1ndj h TRP 120 N 0.00 0.17 -0.71 0.00 5.08 -1.80 -1.92 115.95 116.77 1ndj h TRP 120 Ca 0.22 0.00 -0.44 0.00 1.08 0.00 0.00 58.89 59.76 1ndj h TRP 120 Cb 0.95 -0.06 -0.25 0.00 -3.00 0.00 0.00 29.16 26.81 1ndj h TRP 120 CO 0.00 0.10 0.17 0.36 -1.28 0.00 0.00 178.44 177.79 1ndj n LYS 121 N -4.48 2.43 0.09 0.12 2.85 -0.12 -4.60 118.16 114.44 1ndj n LYS 121 Ca 0.03 -3.35 -0.00 0.00 -1.05 0.00 0.00 58.31 53.93 1ndj n LYS 121 Cb 0.23 -2.09 -0.03 0.00 -0.65 0.00 0.00 35.03 32.49 1ndj n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ndj h SER 122 N 1.44 0.00 -3.16 -5.58 4.64 -1.35 -3.47 113.55 106.08 1ndj h SER 122 Ca 0.43 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 61.09 1ndj h SER 122 Cb 1.69 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 63.42 1ndj h SER 122 CO 0.89 0.62 -0.85 -0.89 -0.87 0.00 0.00 176.83 175.73 1ndj s THR 123 N -2.90 1.95 0.23 2.95 2.01 -1.26 -0.75 115.64 117.87 1ndj s THR 123 Ca 0.01 -0.94 -0.09 0.00 0.31 0.00 0.00 61.69 60.99 1ndj s THR 123 Cb 0.08 -1.81 -0.07 0.00 0.01 0.00 0.00 72.50 70.71 1ndj s THR 123 CO 0.78 0.46 0.54 -0.76 -0.69 0.00 0.00 174.62 174.95 1ndj s LEU 124 N 1.32 4.16 0.01 4.42 1.43 -0.01 -4.91 118.68 125.10 1ndj s LEU 124 Ca 0.04 0.88 0.04 0.00 -1.03 0.00 0.00 54.13 54.06 1ndj s LEU 124 Cb -0.14 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 1ndj s LEU 124 CO -0.12 -0.08 -0.12 0.54 0.23 0.00 0.00 176.35 176.80 1ndj s VAL 125 N -1.84 0.93 0.00 -1.59 0.11 -1.26 -0.54 120.40 116.21 1ndj s VAL 125 Ca 0.47 -0.71 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 1ndj s VAL 125 Cb -0.11 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1ndj s VAL 125 CO 0.22 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.70 1ndj n GLY 126 N 2.36 2.50 3.09 6.54 0.00 -0.92 -4.99 105.19 113.78 1ndj n GLY 126 Ca -0.16 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 1ndj n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ndj s HIS 127 N -6.42 -0.36 -0.04 1.61 -3.43 -1.26 -0.71 115.29 104.68 1ndj s HIS 127 Ca 0.00 0.85 0.05 0.00 -0.80 0.00 0.00 55.06 55.16 1ndj s HIS 127 Cb 0.00 0.08 -0.01 0.00 -1.43 0.00 0.00 32.58 31.23 1ndj s HIS 127 CO 0.00 -0.24 -0.20 -0.51 -2.00 0.00 0.00 174.74 171.80 1ndj s ASP 128 N 1.17 2.42 -0.12 7.38 1.01 -0.78 -4.98 116.67 122.77 1ndj s ASP 128 Ca -0.08 -0.40 0.00 0.00 0.71 0.00 0.00 52.55 52.78 1ndj s ASP 128 Cb -0.09 -0.62 -0.02 0.00 1.01 0.00 0.00 42.92 43.20 1ndj s ASP 128 CO -0.08 0.19 -0.13 0.42 0.21 0.00 0.00 175.17 175.78 1ndj s THR 129 N -0.08 3.08 -0.06 -1.27 -4.23 -1.26 -0.71 115.64 111.12 1ndj s THR 129 Ca -0.02 -0.66 0.02 0.00 -1.18 0.00 0.00 61.69 59.85 1ndj s THR 129 Cb -0.12 -2.28 -0.03 0.00 1.34 0.00 0.00 72.50 71.41 1ndj s THR 129 CO 0.02 0.53 -0.10 -0.36 -0.54 0.00 0.00 174.62 174.18 1ndj s PHE 130 N 0.20 2.84 0.32 3.99 0.08 0.92 -2.71 117.98 123.61 1ndj s PHE 130 Ca -0.08 -0.05 0.03 0.00 0.12 0.00 0.00 56.93 56.95 1ndj s PHE 130 Cb -0.15 -1.68 -0.06 0.00 -0.57 0.00 0.00 43.02 40.57 1ndj s PHE 130 CO 0.05 0.27 0.08 0.95 -0.10 0.00 0.00 175.22 176.47 1ndj s THR 131 N -0.78 0.96 -2.92 0.64 -4.23 -0.84 -0.74 115.64 107.72 1ndj s THR 131 Ca 0.12 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.88 1ndj s THR 131 Cb -0.11 -2.71 0.25 0.00 1.34 0.00 0.00 72.50 71.27 1ndj s THR 131 CO 0.01 0.00 1.33 0.29 -0.54 0.00 0.00 174.62 175.72