#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9y h ILE 17 N 0.00 1.28 -3.16 -0.61 2.04 -1.98 -3.45 117.51 111.62 1n9y h ILE 17 Ca 0.00 -1.94 -0.54 0.00 1.00 0.00 0.00 64.86 63.38 1n9y h ILE 17 Cb 0.00 1.93 0.08 0.00 -0.74 0.00 0.00 36.82 38.09 1n9y h ILE 17 CO 0.00 0.62 0.88 0.41 0.00 0.00 0.00 178.15 180.06 1n9y n THR 18 N -3.94 0.89 -1.96 -0.27 -1.04 -1.26 -4.84 114.28 101.86 1n9y n THR 18 Ca -0.07 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1n9y n THR 18 Cb 0.73 -1.94 0.00 0.00 -1.82 0.00 0.00 70.33 67.30 1n9y n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n9y n GLY 19 N 2.38 -0.10 3.38 3.41 0.00 -0.19 -4.99 105.19 109.09 1n9y n GLY 19 Ca 0.10 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 1n9y n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9y s THR 20 N -2.57 3.98 0.21 2.61 2.01 -1.26 -1.28 115.64 119.34 1n9y s THR 20 Ca 0.00 -0.41 0.11 0.00 0.31 0.00 0.00 61.69 61.70 1n9y s THR 20 Cb 0.00 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 1n9y s THR 20 CO 0.00 0.28 -0.20 0.26 -0.69 0.00 0.00 174.62 174.26 1n9y s TRP 21 N 1.55 2.36 -0.03 4.92 0.52 0.57 -4.58 118.94 124.25 1n9y s TRP 21 Ca 0.05 -0.33 0.04 0.00 0.02 0.00 0.00 56.10 55.88 1n9y s TRP 21 Cb -0.16 -1.13 -0.00 0.00 -1.15 0.00 0.00 33.47 31.03 1n9y s TRP 21 CO 0.02 0.55 -0.14 0.71 0.02 0.00 0.00 176.95 178.10 1n9y s TYR 22 N -1.88 1.39 0.50 -1.98 2.02 -0.23 -0.09 117.35 117.09 1n9y s TYR 22 Ca 0.24 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.61 1n9y s TYR 22 Cb -0.07 -0.93 0.10 0.00 -0.40 0.00 0.00 41.96 40.65 1n9y s TYR 22 CO 0.12 -0.10 0.69 0.27 -1.57 0.00 0.00 175.55 174.96 1n9y n ASN 23 N 3.01 1.03 0.10 2.29 0.23 -1.08 -1.62 115.26 119.22 1n9y n ASN 23 Ca -0.17 -1.84 0.08 0.00 -0.53 0.00 0.00 54.58 52.12 1n9y n ASN 23 Cb 0.54 -0.43 0.40 0.00 -2.08 0.00 0.00 39.78 38.21 1n9y n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n9y n GLN 24 N -2.25 0.11 -0.22 -3.83 0.00 -1.21 -2.27 117.38 107.71 1n9y n GLN 24 Ca 0.12 0.51 0.07 0.00 0.00 0.00 0.00 57.00 57.69 1n9y n GLN 24 Cb 0.42 -1.78 0.19 0.00 0.00 0.00 0.00 30.24 29.06 1n9y n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1n9y n LEU 25 N -2.00 3.15 0.00 2.61 4.77 -1.26 -4.87 117.00 119.40 1n9y n LEU 25 Ca 0.00 -1.99 0.00 0.00 -0.03 0.00 0.00 56.01 53.99 1n9y n LEU 25 Cb 0.09 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1n9y n LEU 25 CO 0.11 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 1n9y n GLY 26 N 0.76 1.06 3.76 -0.72 0.00 -0.96 -5.04 105.19 104.05 1n9y n GLY 26 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1n9y n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9y s ALA 27 N -2.63 2.58 -0.17 4.61 0.00 -1.26 -4.85 121.76 120.04 1n9y s ALA 27 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1n9y s ALA 27 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1n9y s ALA 27 CO 0.00 -1.06 -0.16 0.99 0.00 0.00 0.00 175.76 175.54 1n9y s THR 28 N -1.71 2.56 -0.36 0.00 2.01 0.27 -2.64 115.64 115.77 1n9y s THR 28 Ca 0.75 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.93 1n9y s THR 28 Cb -0.28 -2.09 0.08 0.00 0.01 0.00 0.00 72.50 70.23 1n9y s THR 28 CO 0.32 0.51 0.12 0.12 -0.69 0.00 0.00 174.62 175.00 1n9y s PHE 29 N 1.00 3.46 -0.45 4.92 5.36 0.87 0.24 117.98 133.38 1n9y s PHE 29 Ca -0.02 -2.18 -0.12 0.00 -0.96 0.00 0.00 56.93 53.65 1n9y s PHE 29 Cb -0.15 -2.77 0.08 0.00 -0.34 0.00 0.00 43.02 39.84 1n9y s PHE 29 CO -0.03 -0.90 0.34 0.42 -1.46 0.00 0.00 175.22 173.59 1n9y s ILE 30 N 1.19 4.74 0.08 3.12 1.01 -0.18 -0.31 121.20 130.84 1n9y s ILE 30 Ca 0.03 -1.26 0.07 0.00 0.00 0.00 0.00 60.65 59.49 1n9y s ILE 30 Cb -0.21 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 1n9y s ILE 30 CO -0.03 -0.56 -0.19 0.54 0.00 0.00 0.00 174.94 174.70 1n9y s VAL 31 N 1.53 1.54 -0.12 2.92 0.11 -0.40 -1.36 120.40 124.62 1n9y s VAL 31 Ca 0.04 -1.39 0.02 0.00 -2.93 0.00 0.00 61.98 57.72 1n9y s VAL 31 Cb -0.24 -1.40 0.01 0.00 -1.53 0.00 0.00 36.38 33.23 1n9y s VAL 31 CO 0.04 -0.03 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.72 1n9y s THR 32 N -1.08 1.67 -0.36 5.04 2.01 0.08 -1.02 115.64 121.98 1n9y s THR 32 Ca 0.05 -0.74 -0.17 0.00 0.31 0.00 0.00 61.69 61.14 1n9y s THR 32 Cb -0.10 -1.51 -0.00 0.00 0.01 0.00 0.00 72.50 70.90 1n9y s THR 32 CO 0.03 0.47 0.45 0.00 -0.69 0.00 0.00 174.62 174.88 1n9y s ALA 33 N 1.00 3.47 0.65 7.40 0.00 -1.26 -1.91 121.76 131.11 1n9y s ALA 33 Ca -0.05 -1.17 -0.10 0.00 0.00 0.00 0.00 51.96 50.63 1n9y s ALA 33 Cb -0.15 -2.96 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 1n9y s ALA 33 CO -0.03 -1.24 1.04 0.20 0.00 0.00 0.00 175.76 175.73 1n9y s GLY 34 N 1.77 1.63 0.59 0.00 0.00 0.14 -4.91 107.32 106.54 1n9y s GLY 34 Ca 0.15 -0.28 0.34 0.00 0.00 0.00 0.00 44.72 44.92 1n9y s GLY 34 CO 0.13 0.03 2.22 0.00 0.00 0.00 0.00 173.10 175.47 1n9y h ALA 35 N -0.43 1.26 -0.12 3.20 0.00 -1.98 -2.69 119.26 118.50 1n9y h ALA 35 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1n9y h ALA 35 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1n9y h ALA 35 CO 0.63 0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.52 1n9y n ASP 36 N -3.51 2.47 0.00 0.00 5.75 -1.26 -4.90 116.55 115.10 1n9y n ASP 36 Ca -0.02 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 1n9y n ASP 36 Cb 0.14 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1n9y n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n9y n GLY 37 N 1.30 0.73 3.83 6.12 0.00 -1.01 -5.02 105.19 111.14 1n9y n GLY 37 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1n9y n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9y s ALA 38 N -2.00 3.07 -0.11 4.61 0.00 -1.25 -0.93 121.76 125.15 1n9y s ALA 38 Ca 0.00 0.28 0.03 0.00 0.00 0.00 0.00 51.96 52.27 1n9y s ALA 38 Cb 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1n9y s ALA 38 CO 0.00 -0.03 -0.22 -0.51 0.00 0.00 0.00 175.76 175.00 1n9y s LEU 39 N -3.58 2.04 0.05 0.00 1.43 -0.04 0.27 118.68 118.85 1n9y s LEU 39 Ca 0.60 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1n9y s LEU 39 Cb -0.09 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 1n9y s LEU 39 CO 0.22 0.12 -0.06 0.42 0.23 0.00 0.00 176.35 177.28 1n9y s THR 40 N 0.52 0.47 -5.00 5.49 -4.23 -0.80 -0.46 115.64 111.63 1n9y s THR 40 Ca -0.15 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1n9y s THR 40 Cb -0.17 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 72.77 1n9y s THR 40 CO 0.05 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.15 1n9y n GLY 41 N 0.98 -0.30 3.08 3.99 0.00 -1.02 -0.74 105.19 111.18 1n9y n GLY 41 Ca -0.19 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.57 1n9y n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n9y s THR 42 N -3.41 0.77 -0.12 2.61 -4.23 -0.46 -1.39 115.64 109.41 1n9y s THR 42 Ca 0.00 -0.91 0.03 0.00 -1.18 0.00 0.00 61.69 59.62 1n9y s THR 42 Cb 0.00 -0.75 0.01 0.00 1.34 0.00 0.00 72.50 73.10 1n9y s THR 42 CO 0.00 -0.14 -0.20 -0.47 -0.54 0.00 0.00 174.62 173.27 1n9y s TYR 43 N -0.95 2.36 -0.11 3.99 6.14 0.74 -1.01 117.35 128.50 1n9y s TYR 43 Ca -0.03 -1.10 0.03 0.00 0.64 0.00 0.00 57.07 56.61 1n9y s TYR 43 Cb -0.08 -1.63 0.01 0.00 0.42 0.00 0.00 41.96 40.69 1n9y s TYR 43 CO 0.01 -0.50 -0.20 -2.00 0.64 0.00 0.00 175.55 173.49 1n9y s GLU 44 N 0.73 2.73 0.32 4.97 2.12 0.14 -0.76 118.70 128.95 1n9y s GLU 44 Ca -0.10 -0.76 0.23 0.00 0.36 0.00 0.00 54.97 54.70 1n9y s GLU 44 Cb -0.16 -2.18 0.18 0.00 0.26 0.00 0.00 34.13 32.23 1n9y s GLU 44 CO 0.01 0.04 1.34 0.66 -0.54 0.00 0.00 175.26 176.76 1n9y h SER 45 N 7.13 0.00 -0.02 -1.70 4.64 -1.56 0.79 113.55 122.83 1n9y h SER 45 Ca -0.28 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1n9y h SER 45 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1n9y h SER 45 CO 0.51 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.01 1n9y n ASN 49 N -2.88 -0.05 -0.19 4.97 0.23 -1.26 -4.66 115.26 111.42 1n9y n ASN 49 Ca 0.02 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.16 1n9y n ASN 49 Cb 0.54 -0.01 0.39 0.00 -2.08 0.00 0.00 39.78 38.61 1n9y n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n9y h ALA 50 N -0.24 1.81 -1.04 -2.53 0.00 -2.03 0.18 119.26 115.41 1n9y h ALA 50 Ca 0.00 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.17 1n9y h ALA 50 Cb 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 17.55 1n9y h ALA 50 CO 0.00 0.04 0.68 0.93 0.00 0.00 0.00 179.25 180.89 1n9y h GLU 51 N 0.67 0.35 -0.34 0.00 5.08 -2.03 -1.59 114.58 116.73 1n9y h GLU 51 Ca 0.35 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1n9y h GLU 51 Cb 0.46 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1n9y h GLU 51 CO -0.13 0.23 0.00 0.43 -1.00 0.00 0.00 179.01 178.54 1n9y n SER 52 N -4.58 4.09 -4.70 1.42 7.64 0.61 -4.79 113.62 113.32 1n9y n SER 52 Ca 0.25 -2.85 -0.35 0.00 1.01 0.00 0.00 58.87 56.92 1n9y n SER 52 Cb 0.89 -0.53 -0.09 0.00 -1.01 0.00 0.00 64.21 63.47 1n9y n SER 52 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1n9y s ARG 53 N -2.55 3.37 0.04 1.43 3.52 -0.60 -1.48 118.95 122.68 1n9y s ARG 53 Ca 0.42 -0.34 0.02 0.00 -0.13 0.00 0.00 55.73 55.70 1n9y s ARG 53 Cb 0.33 -2.98 -0.02 0.00 -1.56 0.00 0.00 34.95 30.71 1n9y s ARG 53 CO 0.12 0.58 -0.08 0.71 -0.81 0.00 0.00 175.30 175.82 1n9y s TYR 54 N -0.52 0.69 0.35 5.12 2.02 0.06 -4.82 117.35 120.25 1n9y s TYR 54 Ca 0.10 -0.49 -0.27 0.00 -0.37 0.00 0.00 57.07 56.04 1n9y s TYR 54 Cb -0.12 -0.41 -0.09 0.00 -0.40 0.00 0.00 41.96 40.94 1n9y s TYR 54 CO 0.02 -0.08 1.17 0.08 -1.57 0.00 0.00 175.55 175.17 1n9y s VAL 55 N -1.36 3.19 0.15 0.71 1.01 -1.26 -0.19 120.40 122.66 1n9y s VAL 55 Ca -0.10 1.09 0.06 0.00 0.00 0.00 0.00 61.98 63.04 1n9y s VAL 55 Cb -0.10 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1n9y s VAL 55 CO 0.00 0.18 -0.13 -1.48 0.00 0.00 0.00 175.10 173.67 1n9y s LEU 56 N -2.07 2.48 -0.03 3.92 0.05 -0.49 -4.31 118.68 118.23 1n9y s LEU 56 Ca 0.52 -0.93 -0.22 0.00 0.05 0.00 0.00 54.13 53.55 1n9y s LEU 56 Cb -0.32 -0.54 0.04 0.00 -2.05 0.00 0.00 46.19 43.32 1n9y s LEU 56 CO 0.41 -0.20 0.48 0.28 -0.55 0.00 0.00 176.35 176.78 1n9y s THR 57 N -2.69 0.03 0.00 5.48 -1.32 -0.99 -2.44 115.64 113.72 1n9y s THR 57 Ca 0.15 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 1n9y s THR 57 Cb -0.02 -0.79 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 1n9y s THR 57 CO 0.04 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 1n9y n GLY 58 N 1.12 2.00 3.09 6.08 0.00 0.39 -1.07 105.19 116.80 1n9y n GLY 58 Ca -0.20 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 1n9y n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n9y s ARG 59 N 0.18 0.53 0.07 1.61 1.81 -0.40 -0.86 118.95 121.89 1n9y s ARG 59 Ca 0.00 -0.69 -0.07 0.00 -1.72 0.00 0.00 55.73 53.24 1n9y s ARG 59 Cb 0.00 0.21 -0.01 0.00 -0.45 0.00 0.00 34.95 34.70 1n9y s ARG 59 CO 0.00 -0.13 0.15 1.52 -0.68 0.00 0.00 175.30 176.16 1n9y s TYR 60 N -2.29 0.19 -0.42 -0.53 1.13 -0.11 -1.24 117.35 114.08 1n9y s TYR 60 Ca -0.08 -0.59 -0.29 0.00 -1.41 0.00 0.00 57.07 54.71 1n9y s TYR 60 Cb -0.03 -0.11 0.01 0.00 -1.10 0.00 0.00 41.96 40.73 1n9y s TYR 60 CO -0.03 -0.48 1.38 0.34 -2.51 0.00 0.00 175.55 174.24 1n9y s ASP 61 N -2.66 6.37 0.00 -0.18 2.15 -0.35 -4.63 116.67 117.36 1n9y s ASP 61 Ca 0.02 0.77 0.28 0.00 0.43 0.00 0.00 52.55 54.05 1n9y s ASP 61 Cb 0.04 -2.54 1.49 0.00 -0.30 0.00 0.00 42.92 41.60 1n9y s ASP 61 CO -0.09 -1.42 1.98 -1.54 -0.17 0.00 0.00 175.17 173.93 1n9y n SER 62 N 8.72 0.50 -3.12 -0.34 3.41 -1.26 -4.09 113.62 117.44 1n9y n SER 62 Ca 0.16 -1.24 -0.21 0.00 -0.26 0.00 0.00 58.87 57.32 1n9y n SER 62 Cb 0.48 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.38 1n9y n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n9y n ALA 63 N -0.58 1.79 -0.88 7.33 0.00 -1.26 -5.08 120.51 121.83 1n9y n ALA 63 Ca 0.21 -3.07 -0.31 0.00 0.00 0.00 0.00 53.44 50.26 1n9y n ALA 63 Cb 0.18 -0.90 0.14 0.00 0.00 0.00 0.00 19.45 18.87 1n9y n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n9y s PRO 64 N -0.93 1.40 0.90 0.00 0.04 -1.26 -4.99 135.00 130.17 1n9y s PRO 64 Ca 0.35 1.47 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 1n9y s PRO 64 Cb 0.19 -1.78 0.11 0.00 0.04 0.00 0.00 34.50 33.06 1n9y s PRO 64 CO -0.13 -2.34 0.98 0.00 0.04 0.00 0.00 177.00 175.55 1n9y n ALA 65 N -3.96 -1.10 -1.26 8.56 0.00 -1.26 -4.94 120.51 116.55 1n9y n ALA 65 Ca 0.11 -0.53 0.03 0.00 0.00 0.00 0.00 53.44 53.05 1n9y n ALA 65 Cb 0.52 -2.11 0.21 0.00 0.00 0.00 0.00 19.45 18.07 1n9y n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n9y n THR 66 N -3.93 2.35 -0.75 0.00 -2.24 -1.26 -4.60 114.28 103.85 1n9y n THR 66 Ca 0.11 -2.43 0.08 0.00 -2.27 0.00 0.00 64.05 59.54 1n9y n THR 66 Cb 0.52 -0.28 0.26 0.00 -2.10 0.00 0.00 70.33 68.72 1n9y n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1n9y n ASP 67 N -0.96 3.89 0.00 3.42 5.75 -1.26 -4.92 116.55 122.47 1n9y n ASP 67 Ca 0.26 -2.71 0.00 0.00 -0.01 0.00 0.00 54.79 52.33 1n9y n ASP 67 Cb 0.91 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1n9y n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n9y n GLY 68 N -0.01 0.62 3.82 6.12 0.00 -1.26 -5.08 105.19 109.39 1n9y n GLY 68 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1n9y n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n9y s SER 69 N -2.81 5.85 0.86 1.61 0.01 -1.26 -5.06 113.70 112.91 1n9y s SER 69 Ca 0.00 1.68 -0.05 0.00 1.31 0.00 0.00 55.95 58.88 1n9y s SER 69 Cb 0.00 -2.51 0.09 0.00 0.21 0.00 0.00 66.02 63.81 1n9y s SER 69 CO 0.00 -1.12 0.55 0.61 0.41 0.00 0.00 173.24 173.69 1n9y n GLY 70 N -1.56 -0.71 3.35 3.44 0.00 -1.26 -4.80 105.19 103.66 1n9y n GLY 70 Ca 0.08 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 1n9y n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9y s THR 71 N -1.99 3.94 0.37 2.61 2.01 0.36 -4.73 115.64 118.22 1n9y s THR 71 Ca 0.32 -0.64 -0.27 0.00 0.31 0.00 0.00 61.69 61.42 1n9y s THR 71 Cb -0.01 -3.00 -0.09 0.00 0.01 0.00 0.00 72.50 69.40 1n9y s THR 71 CO 0.22 0.13 1.28 0.00 -0.69 0.00 0.00 174.62 175.56 1n9y s ALA 72 N 1.51 3.35 0.18 7.40 0.00 -1.26 0.03 121.76 132.95 1n9y s ALA 72 Ca 0.03 1.19 -0.24 0.00 0.00 0.00 0.00 51.96 52.95 1n9y s ALA 72 Cb -0.17 -3.46 0.06 0.00 0.00 0.00 0.00 23.12 19.55 1n9y s ALA 72 CO 0.02 -0.68 0.79 -0.48 0.00 0.00 0.00 175.76 175.41 1n9y s LEU 73 N -2.14 -0.32 0.02 0.00 2.34 -0.61 -1.22 118.68 116.76 1n9y s LEU 73 Ca 0.53 -0.33 -0.26 0.00 0.06 0.00 0.00 54.13 54.13 1n9y s LEU 73 Cb -0.37 2.43 0.06 0.00 -0.56 0.00 0.00 46.19 47.75 1n9y s LEU 73 CO 0.49 -1.03 0.60 -0.83 -1.06 0.00 0.00 176.35 174.52 1n9y s GLY 74 N -2.83 -0.52 0.22 -3.48 0.00 -0.37 -1.00 107.32 99.34 1n9y s GLY 74 Ca 0.08 0.91 -0.14 0.00 0.00 0.00 0.00 44.72 45.57 1n9y s GLY 74 CO -0.01 0.58 0.48 0.66 0.00 0.00 0.00 173.10 174.81 1n9y s TRP 75 N -2.04 0.18 -0.03 1.90 -2.14 -0.37 -1.27 118.94 115.16 1n9y s TRP 75 Ca -0.07 -0.54 0.04 0.00 2.66 0.00 0.00 56.10 58.19 1n9y s TRP 75 Cb -0.01 0.25 -0.00 0.00 -3.10 0.00 0.00 33.47 30.61 1n9y s TRP 75 CO 0.02 -0.95 -0.16 0.99 -2.66 0.00 0.00 176.95 174.20 1n9y s THR 76 N -3.96 1.31 -0.12 0.66 2.01 -0.23 -0.42 115.64 114.89 1n9y s THR 76 Ca 0.17 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.53 1n9y s THR 76 Cb -0.01 -1.12 0.01 0.00 0.01 0.00 0.00 72.50 71.40 1n9y s THR 76 CO 0.04 0.38 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.45 1n9y s VAL 77 N -0.05 1.87 -0.20 3.82 1.01 -0.60 -2.35 120.40 123.90 1n9y s VAL 77 Ca -0.01 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 1n9y s VAL 77 Cb -0.10 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1n9y s VAL 77 CO 0.01 0.52 0.52 0.00 0.00 0.00 0.00 175.10 176.15 1n9y s ALA 78 N 0.71 3.55 -1.41 5.51 0.00 -1.26 -0.69 121.76 128.16 1n9y s ALA 78 Ca -0.11 -0.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.37 1n9y s ALA 78 Cb -0.16 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.14 1n9y s ALA 78 CO 0.02 -0.46 2.71 0.91 0.00 0.00 0.00 175.76 178.93 1n9y n TRP 79 N 4.84 2.42 -4.56 0.00 7.02 0.49 -4.76 117.44 122.89 1n9y n TRP 79 Ca -0.04 -2.90 -0.22 0.00 -1.02 0.00 0.00 57.50 53.31 1n9y n TRP 79 Cb 0.50 -2.14 -0.15 0.00 -2.42 0.00 0.00 31.31 27.10 1n9y n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1n9y s LYS 80 N 0.50 1.20 0.00 -0.99 2.20 -1.26 -1.06 119.74 120.32 1n9y s LYS 80 Ca 0.62 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 1n9y s LYS 80 Cb 0.19 -1.10 0.00 0.00 -1.51 0.00 0.00 37.83 35.41 1n9y s LYS 80 CO -0.08 0.20 0.00 0.27 -0.36 0.00 0.00 175.35 175.38 1n9y n ASN 81 N 3.09 0.00 -0.02 1.43 0.23 -0.58 -4.74 115.26 114.67 1n9y n ASN 81 Ca -0.17 -0.81 0.16 0.00 -0.53 0.00 0.00 54.58 53.23 1n9y n ASN 81 Cb 0.54 0.00 0.92 0.00 -2.08 0.00 0.00 39.78 39.16 1n9y n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1n9y n ASN 82 N -2.12 0.06 -0.06 0.53 5.03 -1.26 -3.66 115.26 113.78 1n9y n ASN 82 Ca 0.00 -0.96 -0.06 0.00 0.87 0.00 0.00 54.58 54.42 1n9y n ASN 82 Cb 0.00 -0.02 -0.09 0.00 -1.02 0.00 0.00 39.78 38.65 1n9y n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1n9y n TYR 83 N -0.97 0.00 -3.53 3.10 4.01 -1.26 -5.07 117.16 113.44 1n9y n TYR 83 Ca 0.23 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.85 1n9y n TYR 83 Cb 0.13 -0.58 -0.04 0.00 -0.31 0.00 0.00 39.34 38.54 1n9y n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1n9y s ARG 84 N -2.29 1.15 -0.12 -0.72 1.70 -1.24 -5.15 118.95 112.28 1n9y s ARG 84 Ca -0.07 -0.51 -0.03 0.00 -0.47 0.00 0.00 55.73 54.65 1n9y s ARG 84 Cb 0.04 0.52 0.05 0.00 -0.57 0.00 0.00 34.95 34.98 1n9y s ARG 84 CO 0.48 -0.47 0.05 1.21 -1.08 0.00 0.00 175.30 175.49 1n9y s ASN 85 N -2.61 2.03 0.00 -2.89 3.84 -1.26 -1.53 114.94 112.52 1n9y s ASN 85 Ca 0.00 -0.39 0.19 0.00 0.21 0.00 0.00 52.86 52.88 1n9y s ASN 85 Cb 0.00 -0.34 0.60 0.00 -0.55 0.00 0.00 41.25 40.96 1n9y s ASN 85 CO -0.10 -0.29 1.46 0.00 -2.79 0.00 0.00 177.10 175.38 1n9y n ALA 86 N 5.21 2.48 -3.78 1.71 0.00 -0.22 -4.98 120.51 120.92 1n9y n ALA 86 Ca -0.06 -0.65 -0.27 0.00 0.00 0.00 0.00 53.44 52.46 1n9y n ALA 86 Cb 0.49 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 18.93 1n9y n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1n9y n HIS 87 N 0.61 -1.81 -3.79 0.00 8.25 -1.26 -4.88 115.22 112.34 1n9y n HIS 87 Ca 0.16 0.66 -0.09 0.00 -0.26 0.00 0.00 57.72 58.19 1n9y n HIS 87 Cb 0.38 -3.78 -0.03 0.00 1.12 0.00 0.00 29.99 27.68 1n9y n HIS 87 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1n9y s SER 88 N -4.02 -0.27 -0.16 0.41 0.01 -1.26 -0.90 113.70 107.52 1n9y s SER 88 Ca 0.19 -0.55 -0.13 0.00 1.31 0.00 0.00 55.95 56.76 1n9y s SER 88 Cb -0.06 0.64 0.04 0.00 0.21 0.00 0.00 66.02 66.85 1n9y s SER 88 CO 0.86 -1.18 0.41 0.00 0.41 0.00 0.00 173.24 173.74 1n9y s ALA 89 N -3.90 -1.01 -0.09 1.44 0.00 -0.35 -0.38 121.76 117.46 1n9y s ALA 89 Ca 0.11 1.20 -0.02 0.00 0.00 0.00 0.00 51.96 53.25 1n9y s ALA 89 Cb -0.03 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 1n9y s ALA 89 CO 0.02 -0.20 0.00 0.99 0.00 0.00 0.00 175.76 176.57 1n9y s THR 90 N 0.38 4.30 -0.11 0.00 2.01 0.13 -0.50 115.64 121.86 1n9y s THR 90 Ca -0.01 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.75 1n9y s THR 90 Cb -0.04 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 1n9y s THR 90 CO -0.01 0.59 -0.13 0.42 -0.69 0.00 0.00 174.62 174.80 1n9y s THR 91 N -0.76 3.06 -0.18 -0.82 -4.23 0.42 -1.55 115.64 111.57 1n9y s THR 91 Ca 0.12 -0.68 -0.07 0.00 -1.18 0.00 0.00 61.69 59.88 1n9y s THR 91 Cb -0.12 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 1n9y s THR 91 CO 0.02 0.54 0.04 0.26 -0.54 0.00 0.00 174.62 174.95 1n9y s TRP 92 N 0.05 3.21 -0.10 3.99 0.51 0.45 -1.72 118.94 125.33 1n9y s TRP 92 Ca -0.05 0.01 0.03 0.00 -2.12 0.00 0.00 56.10 53.97 1n9y s TRP 92 Cb -0.14 -2.05 0.01 0.00 -0.81 0.00 0.00 33.47 30.47 1n9y s TRP 92 CO 0.04 0.13 -0.18 0.45 -0.51 0.00 0.00 176.95 176.88 1n9y s SER 93 N 0.35 2.53 0.00 2.95 0.15 0.08 -1.24 113.70 118.52 1n9y s SER 93 Ca 0.02 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1n9y s SER 93 Cb -0.13 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.03 1n9y s SER 93 CO 0.01 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1n9y n GLY 94 N 3.88 1.78 3.25 9.45 0.00 -0.17 -0.96 105.19 122.42 1n9y n GLY 94 Ca -0.20 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 1n9y n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n9y s GLN 95 N 1.35 0.52 0.08 1.61 -2.07 -0.70 -1.57 119.66 118.89 1n9y s GLN 95 Ca 0.00 0.24 -0.25 0.00 -1.82 0.00 0.00 55.36 53.53 1n9y s GLN 95 Cb 0.00 0.24 -0.06 0.00 -1.09 0.00 0.00 33.01 32.10 1n9y s GLN 95 CO 0.00 -0.10 0.78 -0.47 -1.32 0.00 0.00 175.29 174.18 1n9y s TYR 96 N -0.38 3.79 -0.27 9.60 5.04 0.10 -2.15 117.35 133.08 1n9y s TYR 96 Ca -0.05 1.54 0.02 0.00 -2.44 0.00 0.00 57.07 56.14 1n9y s TYR 96 Cb -0.03 -2.82 0.07 0.00 0.35 0.00 0.00 41.96 39.53 1n9y s TYR 96 CO 0.02 0.34 -0.04 0.08 -1.34 0.00 0.00 175.55 174.61 1n9y s VAL 97 N -0.36 1.83 0.78 3.14 1.01 -0.40 -0.48 120.40 125.92 1n9y s VAL 97 Ca 0.38 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.67 1n9y s VAL 97 Cb -0.21 -2.11 0.06 0.00 0.00 0.00 0.00 36.38 34.11 1n9y s VAL 97 CO 0.24 -0.22 1.08 -0.83 0.00 0.00 0.00 175.10 175.38 1n9y s GLY 98 N 1.22 1.65 0.00 4.51 0.00 -1.26 -1.50 107.32 111.95 1n9y s GLY 98 Ca -0.03 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.78 1n9y s GLY 98 CO -0.07 0.46 0.00 0.61 0.00 0.00 0.00 173.10 174.10 1n9y n GLY 99 N -1.52 -0.77 0.29 0.20 0.00 -1.26 -4.84 105.19 97.29 1n9y n GLY 99 Ca 0.08 -1.56 0.07 0.00 0.00 0.00 0.00 46.02 44.61 1n9y n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9y h ALA 100 N 0.00 1.17 -3.19 4.61 0.00 -2.06 -3.15 119.26 116.65 1n9y h ALA 100 Ca 0.00 0.11 -0.61 0.00 0.00 0.00 0.00 54.91 54.41 1n9y h ALA 100 Cb 0.00 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 17.45 1n9y h ALA 100 CO 0.00 -0.19 -0.73 -2.00 0.00 0.00 0.00 179.25 176.34 1n9y s GLU 101 N -5.99 1.24 0.53 0.00 2.12 -1.26 -5.09 118.70 110.25 1n9y s GLU 101 Ca -0.12 -1.81 -0.22 0.00 0.36 0.00 0.00 54.97 53.18 1n9y s GLU 101 Cb 0.21 -2.49 -0.05 0.00 0.26 0.00 0.00 34.13 32.06 1n9y s GLU 101 CO 0.77 -1.07 1.33 0.00 -0.54 0.00 0.00 175.26 175.75 1n9y s ALA 102 N 0.71 2.86 0.07 6.30 0.00 -1.19 -4.97 121.76 125.53 1n9y s ALA 102 Ca 0.14 1.28 -0.16 0.00 0.00 0.00 0.00 51.96 53.22 1n9y s ALA 102 Cb -0.22 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.39 1n9y s ALA 102 CO -0.08 -1.26 0.37 -0.98 0.00 0.00 0.00 175.76 173.81 1n9y s ARG 103 N -2.86 0.92 -0.26 0.00 1.70 -0.56 -4.57 118.95 113.32 1n9y s ARG 103 Ca 0.70 -0.51 0.00 0.00 -0.47 0.00 0.00 55.73 55.45 1n9y s ARG 103 Cb -0.39 0.41 0.05 0.00 -0.57 0.00 0.00 34.95 34.44 1n9y s ARG 103 CO 0.46 -0.32 -0.07 0.42 -1.08 0.00 0.00 175.30 174.70 1n9y s ILE 104 N -2.89 2.57 -0.27 4.99 1.01 -0.58 -1.27 121.20 124.75 1n9y s ILE 104 Ca -0.03 -1.36 -0.12 0.00 0.00 0.00 0.00 60.65 59.14 1n9y s ILE 104 Cb 0.00 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 1n9y s ILE 104 CO -0.05 0.05 0.25 0.20 0.00 0.00 0.00 174.94 175.38 1n9y s ASN 105 N 1.21 6.11 0.12 3.58 0.01 -0.91 -1.02 114.94 124.04 1n9y s ASN 105 Ca -0.05 0.10 0.05 0.00 -0.71 0.00 0.00 52.86 52.26 1n9y s ASN 105 Cb -0.19 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 1n9y s ASN 105 CO -0.04 -0.09 -0.13 0.42 -1.51 0.00 0.00 177.10 175.75 1n9y s THR 106 N 1.82 1.26 0.10 1.60 -4.23 -0.61 -1.71 115.64 113.86 1n9y s THR 106 Ca 0.10 -1.75 0.08 0.00 -1.18 0.00 0.00 61.69 58.95 1n9y s THR 106 Cb -0.16 -1.54 -0.04 0.00 1.34 0.00 0.00 72.50 72.10 1n9y s THR 106 CO 0.10 -0.48 -0.18 -1.10 -0.54 0.00 0.00 174.62 172.43 1n9y s GLN 107 N -2.81 1.85 0.08 3.99 -0.21 -0.13 -2.48 119.66 119.95 1n9y s GLN 107 Ca 0.09 -1.13 0.03 0.00 0.02 0.00 0.00 55.36 54.37 1n9y s GLN 107 Cb -0.04 -2.14 -0.03 0.00 1.00 0.00 0.00 33.01 31.80 1n9y s GLN 107 CO 0.02 0.49 -0.08 1.67 -2.12 0.00 0.00 175.29 175.28 1n9y s TRP 108 N -1.10 0.88 -0.13 0.91 1.48 -0.23 -0.74 118.94 120.02 1n9y s TRP 108 Ca 0.17 -0.70 -0.00 0.00 -1.06 0.00 0.00 56.10 54.51 1n9y s TRP 108 Cb -0.11 -0.50 0.03 0.00 -1.16 0.00 0.00 33.47 31.73 1n9y s TRP 108 CO 0.09 -0.08 -0.09 -0.51 -4.06 0.00 0.00 176.95 172.30 1n9y s LEU 109 N -2.38 1.35 -0.35 -4.66 1.43 -0.70 -1.92 118.68 111.46 1n9y s LEU 109 Ca 0.03 -0.38 -0.10 0.00 -1.03 0.00 0.00 54.13 52.65 1n9y s LEU 109 Cb -0.02 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.28 1n9y s LEU 109 CO -0.02 -0.11 0.17 -0.22 0.23 0.00 0.00 176.35 176.40 1n9y s LEU 110 N 1.65 4.42 -0.15 1.79 2.96 -0.24 -0.44 118.68 128.67 1n9y s LEU 110 Ca 0.05 -0.87 -0.02 0.00 -0.22 0.00 0.00 54.13 53.07 1n9y s LEU 110 Cb -0.13 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 1n9y s LEU 110 CO -0.09 -0.31 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.66 1n9y s THR 111 N 1.54 3.38 0.13 3.68 2.01 0.35 -0.45 115.64 126.28 1n9y s THR 111 Ca 0.02 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.51 1n9y s THR 111 Cb -0.18 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1n9y s THR 111 CO 0.06 0.50 0.22 -0.44 -0.69 0.00 0.00 174.62 174.27 1n9y s SER 112 N 0.52 6.09 -0.00 3.53 0.01 -0.19 -1.22 113.70 122.43 1n9y s SER 112 Ca -0.06 0.10 -0.30 0.00 1.31 0.00 0.00 55.95 57.00 1n9y s SER 112 Cb -0.15 -1.77 -0.07 0.00 0.21 0.00 0.00 66.02 64.24 1n9y s SER 112 CO 0.03 0.08 1.67 -0.83 0.41 0.00 0.00 173.24 174.61 1n9y s GLY 113 N -3.02 1.55 0.14 3.44 0.00 -0.08 -4.85 107.32 104.50 1n9y s GLY 113 Ca 0.33 1.06 0.04 0.00 0.00 0.00 0.00 44.72 46.15 1n9y s GLY 113 CO 0.27 3.01 -0.08 -0.51 0.00 0.00 0.00 173.10 175.79 1n9y s THR 114 N 3.56 1.03 0.97 0.90 -4.23 -1.26 -4.99 115.64 111.63 1n9y s THR 114 Ca 0.75 -2.03 -0.13 0.00 -1.18 0.00 0.00 61.69 59.10 1n9y s THR 114 Cb -0.36 -1.86 0.17 0.00 1.34 0.00 0.00 72.50 71.79 1n9y s THR 114 CO 0.32 -0.73 1.13 0.42 -0.54 0.00 0.00 174.62 175.21 1n9y s THR 115 N -3.41 1.96 0.21 3.99 -4.23 -1.26 -4.86 115.64 108.03 1n9y s THR 115 Ca 0.17 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.58 1n9y s THR 115 Cb 0.04 -2.66 0.15 0.00 1.34 0.00 0.00 72.50 71.37 1n9y s THR 115 CO 0.00 0.00 1.85 -0.08 -0.54 0.00 0.00 174.62 175.85 1n9y h GLU 116 N -1.75 0.84 -0.51 3.99 4.81 -2.01 -1.79 114.58 118.16 1n9y h GLU 116 Ca -0.51 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 58.77 1n9y h GLU 116 Cb 1.32 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1n9y h GLU 116 CO 0.57 0.55 0.35 0.00 -0.73 0.00 0.00 179.01 179.75 1n9y h ALA 117 N 1.31 2.14 -0.55 2.92 0.00 -2.06 -2.17 119.26 120.84 1n9y h ALA 117 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1n9y h ALA 117 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1n9y h ALA 117 CO -0.11 -0.26 0.00 0.09 0.00 0.00 0.00 179.25 178.97 1n9y n ASN 118 N -4.45 3.54 0.21 0.00 3.02 -0.73 -4.56 115.26 112.28 1n9y n ASN 118 Ca 0.08 -2.04 0.05 0.00 -0.03 0.00 0.00 54.58 52.64 1n9y n ASN 118 Cb 0.40 -0.38 0.45 0.00 -0.61 0.00 0.00 39.78 39.63 1n9y n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n9y h ALA 119 N 3.23 1.49 -0.23 5.41 0.00 -0.79 -2.12 119.26 126.25 1n9y h ALA 119 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.73 1n9y h ALA 119 Cb 0.90 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1n9y h ALA 119 CO 0.01 0.34 0.21 0.11 0.00 0.00 0.00 179.25 179.93 1n9y h TRP 120 N 0.00 0.00 -0.42 0.00 5.08 -1.80 -2.22 115.95 116.59 1n9y h TRP 120 Ca -0.00 0.00 -0.23 0.00 1.08 0.00 0.00 58.89 59.74 1n9y h TRP 120 Cb 0.50 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 26.53 1n9y h TRP 120 CO 0.00 0.00 -0.05 0.36 -1.28 0.00 0.00 178.44 177.47 1n9y n LYS 121 N -4.07 1.94 0.10 0.12 2.85 -0.80 -4.62 118.16 113.68 1n9y n LYS 121 Ca 0.03 -3.23 -0.02 0.00 -1.05 0.00 0.00 58.31 54.03 1n9y n LYS 121 Cb 0.35 -1.87 -0.04 0.00 -0.65 0.00 0.00 35.03 32.82 1n9y n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1n9y h SER 122 N 1.07 0.00 -3.08 -5.58 4.64 -1.41 -3.46 113.55 105.73 1n9y h SER 122 Ca 0.26 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.93 1n9y h SER 122 Cb 1.71 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 63.45 1n9y h SER 122 CO 0.48 0.74 -0.85 -0.89 -0.87 0.00 0.00 176.83 175.43 1n9y s THR 123 N -2.85 1.93 0.20 2.95 2.01 -1.26 -1.02 115.64 117.60 1n9y s THR 123 Ca 0.02 -0.86 -0.10 0.00 0.31 0.00 0.00 61.69 61.07 1n9y s THR 123 Cb 0.09 -1.76 -0.07 0.00 0.01 0.00 0.00 72.50 70.77 1n9y s THR 123 CO 0.78 0.52 0.52 -0.76 -0.69 0.00 0.00 174.62 174.99 1n9y s LEU 124 N 1.33 4.21 0.06 4.42 1.43 0.41 -4.91 118.68 125.63 1n9y s LEU 124 Ca 0.05 0.89 0.07 0.00 -1.03 0.00 0.00 54.13 54.11 1n9y s LEU 124 Cb -0.13 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.52 1n9y s LEU 124 CO -0.12 -0.02 -0.19 0.54 0.23 0.00 0.00 176.35 176.79 1n9y s VAL 125 N -1.73 1.52 0.04 -1.59 0.11 -1.26 -1.07 120.40 116.42 1n9y s VAL 125 Ca 0.44 -1.25 -0.02 0.00 -2.93 0.00 0.00 61.98 58.23 1n9y s VAL 125 Cb -0.12 -1.35 0.01 0.00 -1.53 0.00 0.00 36.38 33.38 1n9y s VAL 125 CO 0.21 0.07 0.09 0.61 -3.33 0.00 0.00 175.10 172.75 1n9y n GLY 126 N 1.64 1.78 2.79 6.54 0.00 -0.81 -5.00 105.19 112.12 1n9y n GLY 126 Ca -0.18 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.67 1n9y n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1n9y s HIS 127 N -7.84 0.07 -0.05 1.61 -3.43 -1.26 -1.06 115.29 103.34 1n9y s HIS 127 Ca 0.02 0.10 0.06 0.00 -0.80 0.00 0.00 55.06 54.44 1n9y s HIS 127 Cb -0.01 -0.25 -0.01 0.00 -1.43 0.00 0.00 32.58 30.89 1n9y s HIS 127 CO 0.01 -0.09 -0.24 -0.51 -2.00 0.00 0.00 174.74 171.92 1n9y s ASP 128 N 0.97 2.88 -0.18 7.38 1.01 -1.04 -4.99 116.67 122.69 1n9y s ASP 128 Ca -0.08 -0.47 -0.03 0.00 0.71 0.00 0.00 52.55 52.67 1n9y s ASP 128 Cb -0.12 -0.67 -0.02 0.00 1.01 0.00 0.00 42.92 43.12 1n9y s ASP 128 CO -0.03 0.25 -0.05 -0.89 0.21 0.00 0.00 175.17 174.66 1n9y s THR 129 N -0.24 3.57 -0.06 -1.27 2.01 -1.26 -1.57 115.64 116.81 1n9y s THR 129 Ca -0.00 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1n9y s THR 129 Cb -0.12 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 1n9y s THR 129 CO 0.02 0.46 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.01 1n9y s PHE 130 N 0.90 3.01 0.29 4.92 0.40 -0.19 -3.34 117.98 123.97 1n9y s PHE 130 Ca -0.01 0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.42 1n9y s PHE 130 Cb -0.15 -1.72 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 1n9y s PHE 130 CO 0.01 0.39 0.16 0.95 0.70 0.00 0.00 175.22 177.43 1n9y s THR 131 N -0.87 0.26 -0.79 0.64 -4.23 -0.64 -1.53 115.64 108.49 1n9y s THR 131 Ca 0.14 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.90 1n9y s THR 131 Cb -0.11 -2.52 0.25 0.00 1.34 0.00 0.00 72.50 71.46 1n9y s THR 131 CO 0.03 0.00 1.77 0.29 -0.54 0.00 0.00 174.62 176.16 1n9y n LYS 132 N -0.53 0.15 -3.92 3.99 4.76 -1.26 -1.06 118.16 120.28 1n9y n LYS 132 Ca 0.02 0.20 -0.37 0.00 -2.87 0.00 0.00 58.31 55.29 1n9y n LYS 132 Cb 0.65 -1.70 -0.07 0.00 -1.84 0.00 0.00 35.03 32.08 1n9y n LYS 132 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1n9y s VAL 133 N -3.10 5.38 -0.19 -0.18 1.01 -1.26 -4.76 120.40 117.30 1n9y s VAL 133 Ca 0.10 0.16 -0.17 0.00 0.00 0.00 0.00 61.98 62.07 1n9y s VAL 133 Cb 0.13 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1n9y s VAL 133 CO 0.50 0.60 0.47 -0.75 0.00 0.00 0.00 175.10 175.92 1n9y s LYS 134 N -0.89 4.20 0.78 2.72 2.20 -1.26 -4.58 119.74 122.92 1n9y s LYS 134 Ca 0.14 0.34 -0.13 0.00 -0.36 0.00 0.00 55.97 55.96 1n9y s LYS 134 Cb -0.12 -3.54 0.07 0.00 -1.51 0.00 0.00 37.83 32.73 1n9y s LYS 134 CO 0.03 -0.07 1.17 -1.25 -0.36 0.00 0.00 175.35 174.87 1n9y s PRO 135 N 1.39 1.87 0.00 4.03 0.04 -1.26 -5.08 135.00 135.99 1n9y s PRO 135 Ca 0.22 1.59 0.27 0.00 0.04 0.00 0.00 61.00 63.12 1n9y s PRO 135 Cb -0.15 -1.82 0.80 0.00 0.04 0.00 0.00 34.50 33.36 1n9y s PRO 135 CO 0.09 -2.00 1.60 0.43 0.04 0.00 0.00 177.00 177.16