#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nbx h ILE 17 N 0.00 1.49 -3.50 -0.61 2.04 -1.98 -3.44 117.51 111.51 1nbx h ILE 17 Ca 0.00 -2.50 -0.53 0.00 1.00 0.00 0.00 64.86 62.83 1nbx h ILE 17 Cb 0.00 2.36 0.07 0.00 -0.74 0.00 0.00 36.82 38.50 1nbx h ILE 17 CO 0.00 0.71 0.75 -0.89 0.00 0.00 0.00 178.15 178.72 1nbx s THR 18 N -3.32 2.56 -5.00 -0.27 2.01 -1.26 -4.79 115.64 105.57 1nbx s THR 18 Ca -0.00 0.49 0.00 0.00 0.31 0.00 0.00 61.69 62.49 1nbx s THR 18 Cb 0.12 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1nbx s THR 18 CO 0.78 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 175.40 1nbx n GLY 19 N 1.82 0.41 3.49 4.40 0.00 0.03 -5.01 105.19 110.32 1nbx n GLY 19 Ca 0.05 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 1nbx n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nbx s THR 20 N -2.63 4.13 0.18 2.61 2.01 -1.26 -0.90 115.64 119.78 1nbx s THR 20 Ca 0.00 -0.26 0.10 0.00 0.31 0.00 0.00 61.69 61.84 1nbx s THR 20 Cb 0.00 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1nbx s THR 20 CO 0.00 0.43 -0.21 0.26 -0.69 0.00 0.00 174.62 174.41 1nbx s TRP 21 N 0.84 2.05 -0.02 4.92 0.52 0.76 -4.48 118.94 123.54 1nbx s TRP 21 Ca 0.01 -0.41 0.03 0.00 0.02 0.00 0.00 56.10 55.75 1nbx s TRP 21 Cb -0.14 -1.02 -0.00 0.00 -1.15 0.00 0.00 33.47 31.16 1nbx s TRP 21 CO 0.02 0.42 -0.11 0.71 0.02 0.00 0.00 176.95 178.00 1nbx s TYR 22 N -1.86 1.11 0.70 -1.98 1.51 0.60 -0.98 117.35 116.46 1nbx s TYR 22 Ca 0.18 -0.27 0.01 0.00 -1.01 0.00 0.00 57.07 55.99 1nbx s TYR 22 Cb -0.07 -0.76 0.13 0.00 -0.11 0.00 0.00 41.96 41.15 1nbx s TYR 22 CO 0.08 -0.09 0.97 0.54 -1.11 0.00 0.00 175.55 175.94 1nbx s ASN 23 N 0.03 4.42 0.35 2.29 4.22 -0.64 -1.20 114.94 124.41 1nbx s ASN 23 Ca -0.01 -0.51 0.27 0.00 -2.14 0.00 0.00 52.86 50.47 1nbx s ASN 23 Cb -0.08 0.14 1.02 0.00 1.28 0.00 0.00 41.25 43.61 1nbx s ASN 23 CO 0.00 -1.82 1.79 0.06 -2.04 0.00 0.00 177.10 175.10 1nbx h GLN 24 N -0.43 0.00 -0.26 3.55 -0.00 -1.90 -0.87 115.11 115.21 1nbx h GLN 24 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.31 1nbx h GLN 24 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 1nbx h GLN 24 CO 0.39 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.50 1nbx n LEU 25 N -2.56 3.12 0.00 0.06 4.32 -1.26 -4.98 117.00 115.69 1nbx n LEU 25 Ca 0.02 -1.25 0.00 0.00 -0.02 0.00 0.00 56.01 54.76 1nbx n LEU 25 Cb 0.31 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 41.94 1nbx n LEU 25 CO 0.25 0.63 0.00 0.61 -1.22 0.00 0.00 177.39 177.65 1nbx n GLY 26 N 1.42 0.80 3.84 -0.72 0.00 -0.33 -5.08 105.19 105.12 1nbx n GLY 26 Ca 0.18 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1nbx n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nbx s SER 27 N -2.05 6.65 -0.23 1.61 0.01 -1.26 -4.82 113.70 113.61 1nbx s SER 27 Ca 0.00 1.58 -0.03 0.00 1.31 0.00 0.00 55.95 58.82 1nbx s SER 27 Cb 0.00 -2.51 0.01 0.00 0.21 0.00 0.00 66.02 63.73 1nbx s SER 27 CO 0.00 -0.57 -0.06 -0.89 0.41 0.00 0.00 173.24 172.13 1nbx s THR 28 N -2.58 3.06 -0.25 1.44 2.01 -0.78 -1.62 115.64 116.91 1nbx s THR 28 Ca 0.59 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.82 1nbx s THR 28 Cb -0.10 -2.46 0.05 0.00 0.01 0.00 0.00 72.50 70.00 1nbx s THR 28 CO 0.29 0.32 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.08 1nbx s PHE 29 N 1.39 3.16 -0.36 4.92 0.40 -0.15 0.58 117.98 127.93 1nbx s PHE 29 Ca 0.03 -2.05 -0.12 0.00 -0.60 0.00 0.00 56.93 54.19 1nbx s PHE 29 Cb -0.15 -1.97 0.01 0.00 0.51 0.00 0.00 43.02 41.41 1nbx s PHE 29 CO -0.04 -0.84 0.23 0.42 0.70 0.00 0.00 175.22 175.68 1nbx s ILE 30 N 1.18 4.93 -0.05 0.64 1.01 0.11 -0.17 121.20 128.85 1nbx s ILE 30 Ca -0.05 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.10 1nbx s ILE 30 Cb -0.18 -3.64 -0.00 0.00 0.01 0.00 0.00 42.46 38.64 1nbx s ILE 30 CO -0.06 -0.13 -0.20 -0.69 0.00 0.00 0.00 174.94 173.87 1nbx s VAL 31 N 1.64 1.65 -0.15 2.92 1.01 -0.08 -1.39 120.40 126.00 1nbx s VAL 31 Ca 0.04 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 1nbx s VAL 31 Cb -0.18 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1nbx s VAL 31 CO 0.08 0.47 -0.13 -0.89 0.00 0.00 0.00 175.10 174.63 1nbx s THR 32 N 0.04 2.87 -0.38 3.92 2.01 0.20 -0.79 115.64 123.51 1nbx s THR 32 Ca -0.06 -0.70 -0.15 0.00 0.31 0.00 0.00 61.69 61.09 1nbx s THR 32 Cb -0.13 -2.22 0.01 0.00 0.01 0.00 0.00 72.50 70.17 1nbx s THR 32 CO 0.03 0.51 0.31 0.00 -0.69 0.00 0.00 174.62 174.78 1nbx s ALA 33 N 0.73 3.48 0.56 7.40 0.00 -1.26 -0.57 121.76 132.10 1nbx s ALA 33 Ca -0.06 -1.54 -0.08 0.00 0.00 0.00 0.00 51.96 50.29 1nbx s ALA 33 Cb -0.15 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 1nbx s ALA 33 CO 0.01 -1.29 0.91 0.20 0.00 0.00 0.00 175.76 175.60 1nbx s GLY 34 N 1.72 1.58 0.53 0.00 0.00 -0.70 -4.90 107.32 105.54 1nbx s GLY 34 Ca 0.07 -0.38 0.31 0.00 0.00 0.00 0.00 44.72 44.72 1nbx s GLY 34 CO 0.11 -0.15 1.97 0.00 0.00 0.00 0.00 173.10 175.03 1nbx h ALA 35 N -0.09 1.02 -0.70 3.20 0.00 -1.99 -3.10 119.26 117.61 1nbx h ALA 35 Ca -0.46 -0.06 -0.37 0.00 0.00 0.00 0.00 54.91 54.03 1nbx h ALA 35 Cb 1.21 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.77 1nbx h ALA 35 CO 0.62 0.08 0.29 -0.25 0.00 0.00 0.00 179.25 179.98 1nbx n ASP 36 N -3.20 3.38 0.00 0.00 10.43 -1.26 -4.88 116.55 121.02 1nbx n ASP 36 Ca 0.00 -3.71 0.00 0.00 2.57 0.00 0.00 54.79 53.65 1nbx n ASP 36 Cb 0.32 -0.74 0.00 0.00 1.84 0.00 0.00 41.12 42.54 1nbx n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1nbx n GLY 37 N -1.12 0.70 3.77 0.44 0.00 -1.17 -5.01 105.19 102.80 1nbx n GLY 37 Ca 0.48 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.11 1nbx n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nbx s ALA 38 N -2.10 3.33 -0.16 4.61 0.00 -1.26 -1.72 121.76 124.46 1nbx s ALA 38 Ca 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 51.96 52.44 1nbx s ALA 38 Cb 0.00 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 1nbx s ALA 38 CO 0.00 0.23 -0.09 -0.51 0.00 0.00 0.00 175.76 175.38 1nbx s LEU 39 N -1.51 2.82 0.12 0.00 1.02 0.11 -1.72 118.68 119.51 1nbx s LEU 39 Ca 0.43 -0.33 0.06 0.00 0.02 0.00 0.00 54.13 54.30 1nbx s LEU 39 Cb -0.22 -1.67 -0.04 0.00 0.02 0.00 0.00 46.19 44.28 1nbx s LEU 39 CO 0.27 0.11 -0.14 0.42 0.02 0.00 0.00 176.35 177.03 1nbx s THR 40 N 0.72 1.27 -2.94 5.49 -4.23 0.26 -1.26 115.64 114.95 1nbx s THR 40 Ca -0.04 -1.68 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 1nbx s THR 40 Cb -0.15 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.21 1nbx s THR 40 CO 0.02 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 1nbx n GLY 41 N 0.60 -0.57 3.15 3.99 0.00 -0.93 -0.63 105.19 110.80 1nbx n GLY 41 Ca -0.16 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 1nbx n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nbx s THR 42 N -3.48 0.09 -0.08 2.61 -4.23 -0.48 -1.67 115.64 108.39 1nbx s THR 42 Ca 0.00 -0.75 0.05 0.00 -1.18 0.00 0.00 61.69 59.81 1nbx s THR 42 Cb 0.00 -0.62 -0.00 0.00 1.34 0.00 0.00 72.50 73.21 1nbx s THR 42 CO 0.00 -0.41 -0.24 0.00 -0.54 0.00 0.00 174.62 173.43 1nbx s ALA 43 N -1.79 2.14 0.34 3.99 0.00 -0.30 -0.71 121.76 125.42 1nbx s ALA 43 Ca -0.11 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 50.93 1nbx s ALA 43 Cb -0.05 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1nbx s ALA 43 CO 0.00 0.34 0.31 -1.83 0.00 0.00 0.00 175.76 174.58 1nbx s GLU 44 N 0.13 1.80 0.00 0.00 -1.05 0.20 -1.77 118.70 118.01 1nbx s GLU 44 Ca -0.12 -2.01 0.00 0.00 -0.15 0.00 0.00 54.97 52.69 1nbx s GLU 44 Cb -0.16 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 33.87 1nbx s GLU 44 CO 0.07 -0.68 0.00 0.43 0.95 0.00 0.00 175.26 176.02 1nbx n SER 45 N -1.60 0.00 -3.17 0.83 7.64 -1.25 -1.87 113.62 114.20 1nbx n SER 45 Ca 0.07 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.75 1nbx n SER 45 Cb 0.62 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.78 1nbx n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nbx n GLY 48 N 2.94 3.14 3.48 0.23 0.00 -1.26 -4.69 105.19 109.02 1nbx n GLY 48 Ca 0.00 -1.55 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 1nbx n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nbx s ASN 49 N -1.87 -0.66 0.56 1.61 4.22 -1.26 -5.04 114.94 112.49 1nbx s ASN 49 Ca 0.37 1.20 0.36 0.00 -2.14 0.00 0.00 52.86 52.65 1nbx s ASN 49 Cb 0.27 1.16 1.49 0.00 1.28 0.00 0.00 41.25 45.45 1nbx s ASN 49 CO -0.10 -0.21 1.74 0.00 -2.04 0.00 0.00 177.10 176.50 1nbx h ALA 50 N 5.93 3.03 0.00 3.54 0.00 -2.01 0.72 119.26 130.47 1nbx h ALA 50 Ca -0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1nbx h ALA 50 Cb 1.18 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1nbx h ALA 50 CO 0.17 -1.47 -0.02 0.93 0.00 0.00 0.00 179.25 178.87 1nbx h GLU 51 N 0.00 0.00 -0.34 0.00 3.07 -2.01 -2.70 114.58 112.59 1nbx h GLU 51 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 1nbx h GLU 51 Cb 2.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.22 1nbx h GLU 51 CO -0.01 0.02 0.00 -1.13 -1.40 0.00 0.00 179.01 176.49 1nbx n SER 52 N -3.22 3.65 -4.75 1.42 3.41 0.25 -4.76 113.62 109.62 1nbx n SER 52 Ca -0.02 -2.56 -0.35 0.00 -0.26 0.00 0.00 58.87 55.68 1nbx n SER 52 Cb 0.15 -0.43 -0.08 0.00 -0.26 0.00 0.00 64.21 63.59 1nbx n SER 52 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1nbx s ARG 53 N -2.00 4.09 0.06 4.33 3.52 -1.02 -3.83 118.95 124.09 1nbx s ARG 53 Ca 0.36 -0.17 0.02 0.00 -0.13 0.00 0.00 55.73 55.81 1nbx s ARG 53 Cb 0.25 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 30.23 1nbx s ARG 53 CO 0.13 0.37 -0.08 0.71 -0.81 0.00 0.00 175.30 175.62 1nbx s TYR 54 N 0.16 0.78 0.21 5.12 1.51 -0.73 -4.80 117.35 119.60 1nbx s TYR 54 Ca 0.10 -0.61 -0.28 0.00 -1.01 0.00 0.00 57.07 55.27 1nbx s TYR 54 Cb -0.11 -0.46 -0.09 0.00 -0.11 0.00 0.00 41.96 41.19 1nbx s TYR 54 CO -0.00 -0.09 0.87 0.08 -1.11 0.00 0.00 175.55 175.30 1nbx s VAL 55 N -2.02 4.20 0.07 0.71 1.01 -1.26 -1.15 120.40 121.96 1nbx s VAL 55 Ca -0.03 1.92 0.08 0.00 0.00 0.00 0.00 61.98 63.95 1nbx s VAL 55 Cb -0.06 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1nbx s VAL 55 CO -0.01 0.51 -0.19 -1.48 0.00 0.00 0.00 175.10 173.93 1nbx s LEU 56 N -1.15 2.61 -0.02 3.92 0.05 -0.67 -4.36 118.68 119.06 1nbx s LEU 56 Ca 0.39 -0.49 -0.04 0.00 0.05 0.00 0.00 54.13 54.04 1nbx s LEU 56 Cb -0.25 -1.50 0.00 0.00 -2.05 0.00 0.00 46.19 42.39 1nbx s LEU 56 CO 0.30 0.23 0.10 0.28 -0.55 0.00 0.00 176.35 176.70 1nbx s THR 57 N -0.99 0.04 0.00 5.48 -1.32 -0.69 -2.19 115.64 115.96 1nbx s THR 57 Ca 0.16 -0.30 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 1nbx s THR 57 Cb -0.10 -0.24 0.00 0.00 -1.51 0.00 0.00 72.50 70.64 1nbx s THR 57 CO 0.07 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 1nbx n GLY 58 N 2.42 2.24 3.09 6.08 0.00 -0.39 -0.68 105.19 117.95 1nbx n GLY 58 Ca -0.17 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.18 1nbx n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nbx s ARG 59 N 1.33 0.56 0.11 1.61 1.81 -0.84 0.08 118.95 123.61 1nbx s ARG 59 Ca 0.00 -0.90 -0.06 0.00 -1.72 0.00 0.00 55.73 53.05 1nbx s ARG 59 Cb 0.00 0.21 -0.02 0.00 -0.45 0.00 0.00 34.95 34.69 1nbx s ARG 59 CO 0.00 -0.12 0.15 1.52 -0.68 0.00 0.00 175.30 176.16 1nbx s TYR 60 N -2.93 0.43 -0.45 -0.53 1.13 -0.70 -1.05 117.35 113.25 1nbx s TYR 60 Ca -0.02 -0.85 -0.29 0.00 -1.41 0.00 0.00 57.07 54.50 1nbx s TYR 60 Cb 0.01 -0.21 0.02 0.00 -1.10 0.00 0.00 41.96 40.68 1nbx s TYR 60 CO -0.06 -0.56 1.28 0.34 -2.51 0.00 0.00 175.55 174.04 1nbx s ASP 61 N -2.94 6.47 0.00 -0.18 -1.08 -0.03 -4.59 116.67 114.33 1nbx s ASP 61 Ca 0.12 0.63 0.29 0.00 -0.52 0.00 0.00 52.55 53.08 1nbx s ASP 61 Cb 0.06 -2.54 1.56 0.00 -1.46 0.00 0.00 42.92 40.53 1nbx s ASP 61 CO -0.05 -1.36 2.04 -1.54 0.52 0.00 0.00 175.17 174.77 1nbx n SER 62 N 8.39 0.00 -3.15 -0.34 3.41 -1.26 -4.00 113.62 116.68 1nbx n SER 62 Ca 0.14 -0.36 -0.22 0.00 -0.26 0.00 0.00 58.87 58.18 1nbx n SER 62 Cb 0.49 -0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 1nbx n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nbx n ALA 63 N -1.20 1.85 -0.96 7.33 0.00 -1.26 -5.04 120.51 121.22 1nbx n ALA 63 Ca 0.16 -3.01 -0.29 0.00 0.00 0.00 0.00 53.44 50.29 1nbx n ALA 63 Cb 0.19 -0.89 0.23 0.00 0.00 0.00 0.00 19.45 18.98 1nbx n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nbx s PRO 64 N -0.68 -0.98 0.90 0.00 0.04 -1.26 -5.00 135.00 128.02 1nbx s PRO 64 Ca 0.34 0.21 -0.12 0.00 0.04 0.00 0.00 61.00 61.47 1nbx s PRO 64 Cb 0.15 -1.60 0.13 0.00 0.04 0.00 0.00 34.50 33.22 1nbx s PRO 64 CO -0.14 -3.61 1.10 0.00 0.04 0.00 0.00 177.00 174.39 1nbx s ALA 65 N -2.85 1.61 -0.42 8.56 0.00 -1.26 -4.98 121.76 122.42 1nbx s ALA 65 Ca 0.69 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.49 1nbx s ALA 65 Cb -0.14 -3.14 0.12 0.00 0.00 0.00 0.00 23.12 19.95 1nbx s ALA 65 CO 0.58 -2.30 1.05 0.25 0.00 0.00 0.00 175.76 175.33 1nbx n THR 66 N -3.83 0.87 1.36 0.00 -2.24 -1.26 -4.57 114.28 104.61 1nbx n THR 66 Ca 0.07 -0.93 0.04 0.00 -2.27 0.00 0.00 64.05 60.95 1nbx n THR 66 Cb 0.56 0.58 0.24 0.00 -2.10 0.00 0.00 70.33 69.61 1nbx n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1nbx n ASP 67 N -0.02 0.00 0.00 3.42 5.68 -1.26 -4.83 116.55 119.54 1nbx n ASP 67 Ca 0.05 -1.11 0.00 0.00 -0.50 0.00 0.00 54.79 53.23 1nbx n ASP 67 Cb 0.30 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 1nbx n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nbx n GLY 68 N 0.24 0.34 3.69 6.12 0.00 -1.26 -5.07 105.19 109.25 1nbx n GLY 68 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1nbx n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nbx s SER 69 N -2.23 3.19 0.69 1.61 0.01 -1.26 -5.03 113.70 110.68 1nbx s SER 69 Ca 0.00 2.06 -0.02 0.00 1.31 0.00 0.00 55.95 59.30 1nbx s SER 69 Cb 0.00 -2.53 0.06 0.00 0.21 0.00 0.00 66.02 63.76 1nbx s SER 69 CO 0.00 -2.91 0.40 0.61 0.41 0.00 0.00 173.24 171.75 1nbx n GLY 70 N -0.12 -0.02 3.31 3.44 0.00 -1.26 -4.83 105.19 105.71 1nbx n GLY 70 Ca 0.11 -1.87 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 1nbx n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nbx s THR 71 N -1.35 3.60 0.38 2.61 2.01 0.08 -4.76 115.64 118.22 1nbx s THR 71 Ca 0.25 -0.72 -0.25 0.00 0.31 0.00 0.00 61.69 61.28 1nbx s THR 71 Cb -0.01 -2.80 -0.09 0.00 0.01 0.00 0.00 72.50 69.61 1nbx s THR 71 CO 0.17 0.18 1.10 0.00 -0.69 0.00 0.00 174.62 175.38 1nbx s ALA 72 N 1.46 3.15 0.30 7.40 0.00 -1.26 -0.58 121.76 132.24 1nbx s ALA 72 Ca 0.03 0.83 -0.18 0.00 0.00 0.00 0.00 51.96 52.64 1nbx s ALA 72 Cb -0.16 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1nbx s ALA 72 CO -0.00 -0.33 0.69 -0.48 0.00 0.00 0.00 175.76 175.63 1nbx s LEU 73 N -2.42 -0.05 0.04 0.00 0.05 -0.40 -0.85 118.68 115.05 1nbx s LEU 73 Ca 0.56 -0.83 -0.27 0.00 0.05 0.00 0.00 54.13 53.64 1nbx s LEU 73 Cb -0.27 2.55 0.07 0.00 -2.05 0.00 0.00 46.19 46.48 1nbx s LEU 73 CO 0.34 -1.39 0.62 -0.83 -0.55 0.00 0.00 176.35 174.54 1nbx s GLY 74 N -2.99 -0.57 0.18 -3.48 0.00 -0.22 -1.72 107.32 98.54 1nbx s GLY 74 Ca 0.15 0.92 -0.10 0.00 0.00 0.00 0.00 44.72 45.68 1nbx s GLY 74 CO 0.09 0.58 0.34 0.66 0.00 0.00 0.00 173.10 174.77 1nbx s TRP 75 N -2.25 0.37 0.03 1.90 -2.14 -0.22 -1.98 118.94 114.65 1nbx s TRP 75 Ca -0.06 -0.72 0.06 0.00 2.66 0.00 0.00 56.10 58.04 1nbx s TRP 75 Cb -0.00 0.02 -0.02 0.00 -3.10 0.00 0.00 33.47 30.36 1nbx s TRP 75 CO 0.00 -0.79 -0.18 0.99 -2.66 0.00 0.00 176.95 174.31 1nbx s THR 76 N -3.98 1.45 -0.10 0.66 2.01 0.14 -1.08 115.64 114.75 1nbx s THR 76 Ca 0.18 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 61.14 1nbx s THR 76 Cb 0.02 -1.27 0.02 0.00 0.01 0.00 0.00 72.50 71.29 1nbx s THR 76 CO 0.02 0.18 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.33 1nbx s VAL 77 N -0.74 1.21 -0.10 3.82 1.01 0.07 -1.71 120.40 123.96 1nbx s VAL 77 Ca 0.06 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 1nbx s VAL 77 Cb -0.08 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 1nbx s VAL 77 CO 0.01 0.39 0.46 0.00 0.00 0.00 0.00 175.10 175.96 1nbx s ALA 78 N 1.20 3.51 -1.21 5.51 0.00 -1.26 -0.99 121.76 128.52 1nbx s ALA 78 Ca -0.04 -0.20 -0.06 0.00 0.00 0.00 0.00 51.96 51.67 1nbx s ALA 78 Cb -0.14 -2.60 0.08 0.00 0.00 0.00 0.00 23.12 20.46 1nbx s ALA 78 CO -0.03 0.08 2.53 0.91 0.00 0.00 0.00 175.76 179.25 1nbx n TRP 79 N 3.35 2.38 -4.20 0.00 7.02 -0.34 -4.75 117.44 120.91 1nbx n TRP 79 Ca -0.08 -2.71 -0.22 0.00 -1.02 0.00 0.00 57.50 53.47 1nbx n TRP 79 Cb 0.52 -1.84 -0.17 0.00 -2.42 0.00 0.00 31.31 27.40 1nbx n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1nbx s LYS 80 N -0.80 1.10 0.00 -0.99 2.36 -1.26 -0.37 119.74 119.77 1nbx s LYS 80 Ca 0.57 -0.17 0.00 0.00 -2.55 0.00 0.00 55.97 53.81 1nbx s LYS 80 Cb 0.21 -1.07 0.00 0.00 -1.05 0.00 0.00 37.83 35.92 1nbx s LYS 80 CO -0.11 -0.10 0.00 0.27 1.55 0.00 0.00 175.35 176.97 1nbx n ASN 81 N 4.20 0.46 0.17 1.43 0.23 0.03 -4.75 115.26 117.04 1nbx n ASN 81 Ca -0.21 -0.28 0.14 0.00 -0.53 0.00 0.00 54.58 53.69 1nbx n ASN 81 Cb 0.51 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.67 1nbx n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1nbx h ASN 82 N 0.00 0.00 0.00 0.53 2.35 -1.93 -3.32 115.58 113.21 1nbx h ASN 82 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 1nbx h ASN 82 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 1nbx h ASN 82 CO 0.00 0.00 -1.99 -1.22 -1.65 0.00 0.00 177.43 172.57 1nbx n TYR 83 N -2.59 0.00 -3.93 1.19 4.01 -1.26 -5.04 117.16 109.54 1nbx n TYR 83 Ca 0.03 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.68 1nbx n TYR 83 Cb 0.35 -0.71 -0.09 0.00 -0.31 0.00 0.00 39.34 38.58 1nbx n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1nbx s ARG 84 N -2.35 0.69 -0.20 -0.72 1.70 -1.25 -5.14 118.95 111.68 1nbx s ARG 84 Ca -0.09 -0.91 -0.04 0.00 -0.47 0.00 0.00 55.73 54.23 1nbx s ARG 84 Cb 0.04 0.27 0.09 0.00 -0.57 0.00 0.00 34.95 34.78 1nbx s ARG 84 CO 0.57 -0.18 0.19 1.21 -1.08 0.00 0.00 175.30 176.01 1nbx s ASN 85 N -2.53 1.67 0.00 -2.89 3.84 -1.26 -0.79 114.94 112.99 1nbx s ASN 85 Ca 0.01 -0.35 0.19 0.00 0.21 0.00 0.00 52.86 52.91 1nbx s ASN 85 Cb 0.03 0.21 0.53 0.00 -0.55 0.00 0.00 41.25 41.47 1nbx s ASN 85 CO -0.08 -0.34 1.43 0.00 -2.79 0.00 0.00 177.10 175.33 1nbx n ALA 86 N 5.31 2.45 -3.70 1.71 0.00 0.50 -4.95 120.51 121.83 1nbx n ALA 86 Ca -0.06 -0.81 -0.23 0.00 0.00 0.00 0.00 53.44 52.35 1nbx n ALA 86 Cb 0.49 -0.98 0.04 0.00 0.00 0.00 0.00 19.45 19.01 1nbx n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1nbx n HIS 87 N 0.91 -2.08 -3.65 0.00 8.25 -1.26 -4.85 115.22 112.54 1nbx n HIS 87 Ca 0.17 0.88 -0.10 0.00 -0.26 0.00 0.00 57.72 58.41 1nbx n HIS 87 Cb 0.44 -4.45 -0.05 0.00 1.12 0.00 0.00 29.99 27.06 1nbx n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1nbx s SER 88 N -4.10 -0.21 -0.02 0.41 1.04 -1.26 -0.83 113.70 108.72 1nbx s SER 88 Ca 0.16 -0.33 -0.07 0.00 0.48 0.00 0.00 55.95 56.19 1nbx s SER 88 Cb -0.08 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.51 1nbx s SER 88 CO 0.80 -0.84 0.16 0.00 0.98 0.00 0.00 173.24 174.34 1nbx s ALA 89 N -3.77 -0.39 -0.03 5.32 0.00 -0.35 -1.20 121.76 121.34 1nbx s ALA 89 Ca 0.03 0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.19 1nbx s ALA 89 Cb 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 1nbx s ALA 89 CO -0.12 -0.16 -0.24 0.99 0.00 0.00 0.00 175.76 176.23 1nbx s THR 90 N -0.81 2.24 -0.05 0.00 2.01 -0.16 -1.07 115.64 117.80 1nbx s THR 90 Ca -0.09 -1.03 0.07 0.00 0.31 0.00 0.00 61.69 60.95 1nbx s THR 90 Cb -0.05 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.65 1nbx s THR 90 CO 0.01 0.58 -0.25 0.42 -0.69 0.00 0.00 174.62 174.69 1nbx s THR 91 N -0.53 2.02 -0.13 -0.82 -4.23 -0.34 -0.75 115.64 110.85 1nbx s THR 91 Ca 0.07 -1.06 -0.00 0.00 -1.18 0.00 0.00 61.69 59.52 1nbx s THR 91 Cb -0.11 -1.70 -0.02 0.00 1.34 0.00 0.00 72.50 72.02 1nbx s THR 91 CO 0.00 0.56 -0.12 0.26 -0.54 0.00 0.00 174.62 174.78 1nbx s TRP 92 N -0.28 2.82 -0.10 3.99 0.51 -0.24 -1.50 118.94 124.15 1nbx s TRP 92 Ca 0.00 -0.60 0.02 0.00 -2.12 0.00 0.00 56.10 53.41 1nbx s TRP 92 Cb -0.13 -1.84 0.01 0.00 -0.81 0.00 0.00 33.47 30.70 1nbx s TRP 92 CO 0.02 -0.18 -0.16 0.45 -0.51 0.00 0.00 176.95 176.57 1nbx s SER 93 N 0.30 2.42 0.00 2.95 0.15 -0.38 -1.06 113.70 118.09 1nbx s SER 93 Ca -0.10 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1nbx s SER 93 Cb -0.16 -1.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.06 1nbx s SER 93 CO 0.05 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1nbx n GLY 94 N 4.00 0.88 3.31 9.45 0.00 -0.70 -0.89 105.19 121.24 1nbx n GLY 94 Ca -0.20 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 1nbx n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1nbx s GLN 95 N 1.49 0.54 0.06 1.61 -2.07 -0.70 -1.27 119.66 119.31 1nbx s GLN 95 Ca 0.00 0.45 -0.27 0.00 -1.82 0.00 0.00 55.36 53.72 1nbx s GLN 95 Cb 0.00 0.26 -0.05 0.00 -1.09 0.00 0.00 33.01 32.12 1nbx s GLN 95 CO 0.00 -0.09 0.84 -0.47 -1.32 0.00 0.00 175.29 174.25 1nbx s TYR 96 N -0.07 3.76 -0.15 9.60 5.04 0.26 -1.57 117.35 134.21 1nbx s TYR 96 Ca -0.03 1.59 0.02 0.00 -2.44 0.00 0.00 57.07 56.21 1nbx s TYR 96 Cb -0.03 -2.91 0.01 0.00 0.35 0.00 0.00 41.96 39.38 1nbx s TYR 96 CO 0.01 0.24 -0.21 0.08 -1.34 0.00 0.00 175.55 174.33 1nbx s VAL 97 N 0.00 2.10 -0.95 3.14 1.01 0.13 -0.74 120.40 125.08 1nbx s VAL 97 Ca 0.42 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 1nbx s VAL 97 Cb -0.21 -1.85 0.19 0.00 0.00 0.00 0.00 36.38 34.51 1nbx s VAL 97 CO 0.25 0.55 1.03 -0.83 0.00 0.00 0.00 175.10 176.10 1nbx s GLY 98 N 0.90 2.43 0.00 4.51 0.00 -1.26 -1.47 107.32 112.43 1nbx s GLY 98 Ca -0.05 -3.19 0.00 0.00 0.00 0.00 0.00 44.72 41.48 1nbx s GLY 98 CO -0.04 1.64 0.00 0.61 0.00 0.00 0.00 173.10 175.32 1nbx n GLY 99 N 4.39 4.37 0.36 0.20 0.00 -1.26 -4.95 105.19 108.31 1nbx n GLY 99 Ca 0.22 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 1nbx n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nbx h ALA 100 N 0.36 -0.96 -2.64 4.61 0.00 -2.05 -3.32 119.26 115.26 1nbx h ALA 100 Ca 0.00 -0.11 -0.61 0.00 0.00 0.00 0.00 54.91 54.19 1nbx h ALA 100 Cb 0.00 0.70 -0.13 0.00 0.00 0.00 0.00 17.79 18.36 1nbx h ALA 100 CO 0.00 -1.02 -0.05 -1.83 0.00 0.00 0.00 179.25 176.34 1nbx s GLU 101 N -5.05 4.09 0.31 0.00 -1.05 -1.26 -5.04 118.70 110.71 1nbx s GLU 101 Ca -0.13 0.30 -0.29 0.00 -0.15 0.00 0.00 54.97 54.70 1nbx s GLU 101 Cb 0.04 -3.63 -0.10 0.00 -0.44 0.00 0.00 34.13 29.99 1nbx s GLU 101 CO 0.44 -0.29 1.38 0.00 0.95 0.00 0.00 175.26 177.74 1nbx s ALA 102 N 2.11 3.55 0.08 -0.84 0.00 -1.25 -4.82 121.76 120.59 1nbx s ALA 102 Ca 0.21 1.34 -0.04 0.00 0.00 0.00 0.00 51.96 53.47 1nbx s ALA 102 Cb -0.16 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 1nbx s ALA 102 CO 0.09 -0.75 0.08 -0.98 0.00 0.00 0.00 175.76 174.20 1nbx s ARG 103 N -1.42 0.76 -0.19 0.00 3.03 -0.54 -4.36 118.95 116.23 1nbx s ARG 103 Ca 0.53 -1.15 0.01 0.00 2.03 0.00 0.00 55.73 57.14 1nbx s ARG 103 Cb -0.42 0.27 0.02 0.00 -1.03 0.00 0.00 34.95 33.80 1nbx s ARG 103 CO 0.52 -0.20 -0.18 0.42 -1.13 0.00 0.00 175.30 174.73 1nbx s ILE 104 N -3.92 2.20 -0.25 4.99 1.01 -0.96 0.17 121.20 124.45 1nbx s ILE 104 Ca 0.09 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 1nbx s ILE 104 Cb 0.07 -1.96 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 1nbx s ILE 104 CO -0.08 0.49 0.16 0.20 0.00 0.00 0.00 174.94 175.71 1nbx s ASN 105 N 1.30 6.10 0.20 3.58 0.01 -0.61 -0.49 114.94 125.02 1nbx s ASN 105 Ca 0.04 0.09 0.02 0.00 -0.71 0.00 0.00 52.86 52.30 1nbx s ASN 105 Cb -0.14 -2.11 -0.05 0.00 0.41 0.00 0.00 41.25 39.37 1nbx s ASN 105 CO -0.12 0.05 0.02 0.42 -1.51 0.00 0.00 177.10 175.96 1nbx s THR 106 N 1.18 0.74 0.01 1.60 -4.23 0.21 -1.73 115.64 113.43 1nbx s THR 106 Ca 0.07 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.67 1nbx s THR 106 Cb -0.14 -2.25 -0.03 0.00 1.34 0.00 0.00 72.50 71.42 1nbx s THR 106 CO 0.06 -0.37 -0.23 -1.10 -0.54 0.00 0.00 174.62 172.44 1nbx s GLN 107 N -3.92 2.03 0.18 3.99 -0.21 -0.07 -1.78 119.66 119.88 1nbx s GLN 107 Ca 0.27 -0.98 0.04 0.00 0.02 0.00 0.00 55.36 54.71 1nbx s GLN 107 Cb 0.06 -2.08 -0.05 0.00 1.00 0.00 0.00 33.01 31.94 1nbx s GLN 107 CO 0.07 0.54 -0.08 1.67 -2.12 0.00 0.00 175.29 175.37 1nbx s TRP 108 N -0.76 1.39 -0.06 0.91 1.48 0.65 -1.25 118.94 121.29 1nbx s TRP 108 Ca 0.12 -0.79 0.02 0.00 -1.06 0.00 0.00 56.10 54.39 1nbx s TRP 108 Cb -0.10 -0.73 0.01 0.00 -1.16 0.00 0.00 33.47 31.49 1nbx s TRP 108 CO 0.02 0.07 -0.11 -0.51 -4.06 0.00 0.00 176.95 172.35 1nbx s LEU 109 N -3.22 1.60 -0.18 -4.66 1.43 -0.56 -1.57 118.68 111.52 1nbx s LEU 109 Ca 0.21 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1nbx s LEU 109 Cb 0.03 -0.79 0.01 0.00 0.03 0.00 0.00 46.19 45.47 1nbx s LEU 109 CO 0.03 0.02 -0.16 -0.22 0.23 0.00 0.00 176.35 176.26 1nbx s LEU 110 N 0.72 2.36 -0.09 1.79 2.96 -0.41 -1.20 118.68 124.81 1nbx s LEU 110 Ca -0.14 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.25 1nbx s LEU 110 Cb -0.16 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 1nbx s LEU 110 CO 0.03 0.02 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.02 1nbx s THR 111 N 1.16 2.71 -0.05 3.68 2.01 -0.23 -0.79 115.64 124.14 1nbx s THR 111 Ca 0.01 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.20 1nbx s THR 111 Cb -0.14 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1nbx s THR 111 CO -0.07 0.55 0.02 -0.44 -0.69 0.00 0.00 174.62 174.00 1nbx s SER 112 N -0.00 5.33 0.15 3.53 0.01 -0.56 -1.21 113.70 120.95 1nbx s SER 112 Ca -0.05 0.11 -0.31 0.00 1.31 0.00 0.00 55.95 57.01 1nbx s SER 112 Cb -0.15 -1.49 -0.09 0.00 0.21 0.00 0.00 66.02 64.51 1nbx s SER 112 CO 0.05 0.33 1.49 -0.83 0.41 0.00 0.00 173.24 174.69 1nbx s GLY 113 N -1.25 1.78 0.18 3.44 0.00 -0.01 -4.86 107.32 106.60 1nbx s GLY 113 Ca 0.17 1.27 0.05 0.00 0.00 0.00 0.00 44.72 46.22 1nbx s GLY 113 CO 0.07 2.49 -0.10 -0.51 0.00 0.00 0.00 173.10 175.05 1nbx s THR 114 N 1.02 1.36 0.86 0.90 -4.23 -1.26 -5.02 115.64 109.27 1nbx s THR 114 Ca 0.67 -2.11 -0.12 0.00 -1.18 0.00 0.00 61.69 58.95 1nbx s THR 114 Cb -0.41 -1.99 0.11 0.00 1.34 0.00 0.00 72.50 71.55 1nbx s THR 114 CO 0.32 -0.64 1.10 0.42 -0.54 0.00 0.00 174.62 175.28 1nbx s THR 115 N -3.21 2.75 -0.22 3.99 -4.23 -1.26 -4.87 115.64 108.59 1nbx s THR 115 Ca 0.20 0.24 0.28 0.00 -1.18 0.00 0.00 61.69 61.24 1nbx s THR 115 Cb 0.02 -2.88 0.31 0.00 1.34 0.00 0.00 72.50 71.29 1nbx s THR 115 CO 0.04 -0.32 1.83 -0.33 -0.54 0.00 0.00 174.62 175.30 1nbx h GLU 116 N -1.35 0.00 0.00 3.99 5.08 -2.01 -1.98 114.58 118.31 1nbx h GLU 116 Ca -0.49 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.81 1nbx h GLU 116 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1nbx h GLU 116 CO 0.58 0.00 -0.30 0.00 -1.00 0.00 0.00 179.01 178.29 1nbx h ALA 117 N 2.15 0.82 -0.59 3.43 0.00 -2.07 -3.02 119.26 119.98 1nbx h ALA 117 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1nbx h ALA 117 Cb 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1nbx h ALA 117 CO 0.00 0.37 0.00 0.09 0.00 0.00 0.00 179.25 179.71 1nbx n ASN 118 N -3.19 3.69 0.26 0.00 3.02 -0.81 -4.62 115.26 113.61 1nbx n ASN 118 Ca 0.03 -1.99 0.09 0.00 -0.03 0.00 0.00 54.58 52.68 1nbx n ASN 118 Cb 0.64 -0.39 0.66 0.00 -0.61 0.00 0.00 39.78 40.08 1nbx n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nbx h ALA 119 N 4.09 1.82 0.00 5.41 0.00 -1.26 -1.38 119.26 127.94 1nbx h ALA 119 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1nbx h ALA 119 Cb 0.96 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1nbx h ALA 119 CO 0.00 0.06 -0.05 0.11 0.00 0.00 0.00 179.25 179.37 1nbx h TRP 120 N 0.00 0.00 -0.65 0.00 5.08 -1.83 -1.86 115.95 116.69 1nbx h TRP 120 Ca -0.00 0.00 -0.37 0.00 1.08 0.00 0.00 58.89 59.60 1nbx h TRP 120 Cb 0.09 0.00 -0.22 0.00 -3.00 0.00 0.00 29.16 26.03 1nbx h TRP 120 CO 0.00 0.05 0.17 0.36 -1.28 0.00 0.00 178.44 177.74 1nbx n LYS 121 N -3.31 2.22 0.08 0.12 2.85 -0.52 -4.67 118.16 114.94 1nbx n LYS 121 Ca -0.01 -3.25 0.12 0.00 -1.05 0.00 0.00 58.31 54.11 1nbx n LYS 121 Cb 0.20 -2.02 0.10 0.00 -0.65 0.00 0.00 35.03 32.66 1nbx n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1nbx h SER 122 N 1.24 0.00 -3.19 -5.58 4.64 -1.40 -3.46 113.55 105.79 1nbx h SER 122 Ca 0.40 -0.13 -0.54 0.00 -0.47 0.00 0.00 61.79 61.05 1nbx h SER 122 Cb 1.87 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.60 1nbx h SER 122 CO 0.78 0.06 -0.81 -0.89 -0.87 0.00 0.00 176.83 175.10 1nbx s THR 123 N -3.25 1.15 0.29 2.95 2.01 -1.26 -1.49 115.64 116.04 1nbx s THR 123 Ca 0.04 -0.37 -0.06 0.00 0.31 0.00 0.00 61.69 61.60 1nbx s THR 123 Cb 0.11 -1.13 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 1nbx s THR 123 CO 0.75 0.39 0.56 -0.76 -0.69 0.00 0.00 174.62 174.87 1nbx s LEU 124 N 1.57 4.06 0.02 4.42 1.43 0.03 -4.92 118.68 125.28 1nbx s LEU 124 Ca 0.03 0.76 0.04 0.00 -1.03 0.00 0.00 54.13 53.93 1nbx s LEU 124 Cb -0.13 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 1nbx s LEU 124 CO -0.08 -0.20 -0.11 0.54 0.23 0.00 0.00 176.35 176.74 1nbx s VAL 125 N -2.07 0.84 0.05 -1.59 0.11 -1.26 -1.29 120.40 115.19 1nbx s VAL 125 Ca 0.45 -0.75 -0.03 0.00 -2.93 0.00 0.00 61.98 58.71 1nbx s VAL 125 Cb -0.11 -0.76 0.01 0.00 -1.53 0.00 0.00 36.38 33.99 1nbx s VAL 125 CO 0.29 0.02 0.17 0.61 -3.33 0.00 0.00 175.10 172.86 1nbx n GLY 126 N 2.23 1.49 3.01 6.54 0.00 -0.61 -5.00 105.19 112.86 1nbx n GLY 126 Ca -0.17 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 1nbx n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1nbx s HIS 127 N -6.52 0.38 -0.03 1.61 -3.43 -1.26 -0.25 115.29 105.78 1nbx s HIS 127 Ca 0.04 -0.62 -0.03 0.00 -0.80 0.00 0.00 55.06 53.65 1nbx s HIS 127 Cb -0.01 -0.26 0.01 0.00 -1.43 0.00 0.00 32.58 30.89 1nbx s HIS 127 CO 0.02 -0.20 0.07 -0.51 -2.00 0.00 0.00 174.74 172.11 1nbx s ASP 128 N -1.76 -0.07 -0.13 7.38 1.01 -0.73 -4.93 116.67 117.44 1nbx s ASP 128 Ca -0.11 0.13 -0.02 0.00 0.71 0.00 0.00 52.55 53.27 1nbx s ASP 128 Cb -0.07 0.15 -0.02 0.00 1.01 0.00 0.00 42.92 43.99 1nbx s ASP 128 CO -0.02 -0.03 -0.08 -0.89 0.21 0.00 0.00 175.17 174.35 1nbx s THR 129 N 0.00 3.51 -0.01 -1.27 2.01 -1.26 -0.62 115.64 118.00 1nbx s THR 129 Ca -0.00 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.52 1nbx s THR 129 Cb -0.01 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 1nbx s THR 129 CO 0.00 0.52 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.01 1nbx s PHE 130 N 0.22 2.86 0.11 4.92 0.08 0.35 -3.33 117.98 123.19 1nbx s PHE 130 Ca -0.05 -0.05 0.01 0.00 0.12 0.00 0.00 56.93 56.95 1nbx s PHE 130 Cb -0.15 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 1nbx s PHE 130 CO 0.04 0.34 -0.02 0.95 -0.10 0.00 0.00 175.22 176.42 1nbx s THR 131 N -0.93 0.52 -1.05 0.64 -4.23 -0.34 -2.27 115.64 107.97 1nbx s THR 131 Ca 0.15 -1.92 0.28 0.00 -1.18 0.00 0.00 61.69 59.02 1nbx s THR 131 Cb -0.11 -1.83 0.20 0.00 1.34 0.00 0.00 72.50 72.10 1nbx s THR 131 CO 0.05 -0.73 1.78 0.29 -0.54 0.00 0.00 174.62 175.48 1nbx n LYS 132 N -0.08 0.06 0.00 3.99 5.02 -1.26 -0.29 118.16 125.59 1nbx n LYS 132 Ca -0.10 -0.01 0.10 0.00 -2.02 0.00 0.00 58.31 56.28 1nbx n LYS 132 Cb 0.62 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.21 1nbx n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16