#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 1.33 -3.27 -0.61 2.04 -1.98 -3.46 117.51 111.55 1n9y h ILE 17 Ca 0.00 -2.75 -0.53 0.00 1.00 0.00 0.00 64.86 62.58 1n9y h ILE 17 Cb 0.00 2.98 0.08 0.00 -0.74 0.00 0.00 36.82 39.14 1n9y h ILE 17 CO 0.00 0.82 0.91 0.41 0.00 0.00 0.00 178.15 180.29 1n9y n THR 18 N -3.69 0.95 0.00 -0.27 -1.04 -1.26 -4.78 114.28 104.19 1n9y n THR 18 Ca -0.15 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1n9y n THR 18 Cb 1.07 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 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 2.30 0.63 3.62 3.41 0.00 0.35 -4.98 105.19 110.52 1n9y n GLY 19 Ca 0.09 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.06 4.42 0.06 2.61 2.01 -1.26 -0.68 115.64 119.74 1n9y s THR 20 Ca 0.00 -0.18 0.08 0.00 0.31 0.00 0.00 61.69 61.90 1n9y s THR 20 Cb 0.00 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 1n9y s THR 20 CO 0.00 0.52 -0.22 0.26 -0.69 0.00 0.00 174.62 174.49 1n9y s TRP 21 N -0.05 1.92 0.06 4.92 0.52 -0.18 -4.54 118.94 121.60 1n9y s TRP 21 Ca 0.04 -0.39 0.05 0.00 0.02 0.00 0.00 56.10 55.82 1n9y s TRP 21 Cb -0.13 -1.12 -0.03 0.00 -1.15 0.00 0.00 33.47 31.05 1n9y s TRP 21 CO 0.02 0.14 -0.14 0.71 0.02 0.00 0.00 176.95 177.70 1n9y s TYR 22 N -0.90 1.24 0.17 -1.98 2.02 -0.53 -1.19 117.35 116.17 1n9y s TYR 22 Ca 0.08 -0.43 0.01 0.00 -0.37 0.00 0.00 57.07 56.37 1n9y s TYR 22 Cb -0.09 -0.71 0.01 0.00 -0.40 0.00 0.00 41.96 40.77 1n9y s TYR 22 CO 0.03 0.06 0.12 0.27 -1.57 0.00 0.00 175.55 174.45 1n9y n ASN 23 N 1.43 1.57 -0.63 2.29 6.94 -1.08 -1.85 115.26 123.94 1n9y n ASN 23 Ca -0.20 -1.58 0.12 0.00 -0.02 0.00 0.00 54.58 52.89 1n9y n ASN 23 Cb 0.54 -0.01 0.38 0.00 -2.36 0.00 0.00 39.78 38.33 1n9y n ASN 23 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n9y n GLN 24 N -0.87 1.84 -0.31 -3.83 1.13 -1.26 -4.20 117.38 109.88 1n9y n GLN 24 Ca -0.01 -1.25 0.08 0.00 -1.94 0.00 0.00 57.00 53.87 1n9y n GLN 24 Cb 0.19 -1.44 0.23 0.00 0.11 0.00 0.00 30.24 29.33 1n9y n GLN 24 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1n9y n LEU 25 N 0.49 3.52 0.00 1.08 4.77 -1.26 -4.94 117.00 120.66 1n9y n LEU 25 Ca 0.17 -2.19 0.00 0.00 -0.03 0.00 0.00 56.01 53.96 1n9y n LEU 25 Cb 0.39 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1n9y n LEU 25 CO 0.14 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1n9y n GLY 26 N 0.71 0.63 3.85 -0.72 0.00 -1.26 -4.98 105.19 103.42 1n9y n GLY 26 Ca 0.17 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 3.59 -0.01 4.61 0.00 -1.26 -3.03 121.76 123.67 1n9y s ALA 27 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.82 1n9y s ALA 27 Cb 0.00 -2.49 -0.00 0.00 0.00 0.00 0.00 23.12 20.63 1n9y s ALA 27 CO 0.00 0.47 -0.08 0.99 0.00 0.00 0.00 175.76 177.14 1n9y s THR 28 N -1.48 0.65 0.02 0.00 2.01 -0.76 -2.62 115.64 113.47 1n9y s THR 28 Ca 0.38 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 62.05 1n9y s THR 28 Cb -0.15 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 1n9y s THR 28 CO 0.19 0.19 -0.05 0.72 -0.69 0.00 0.00 174.62 174.98 1n9y s PHE 29 N -0.13 0.44 -0.14 4.92 -0.12 -0.33 -0.77 117.98 121.84 1n9y s PHE 29 Ca 0.02 -0.40 0.01 0.00 -0.05 0.00 0.00 56.93 56.51 1n9y s PHE 29 Cb -0.04 -0.28 -0.00 0.00 -0.63 0.00 0.00 43.02 42.07 1n9y s PHE 29 CO -0.00 -0.10 -0.17 -1.50 -0.05 0.00 0.00 175.22 173.40 1n9y s ILE 30 N -1.10 2.57 0.05 -4.49 2.07 -0.47 -1.01 121.20 118.81 1n9y s ILE 30 Ca -0.09 -0.81 0.05 0.00 -1.41 0.00 0.00 60.65 58.39 1n9y s ILE 30 Cb -0.08 -2.07 -0.02 0.00 0.13 0.00 0.00 42.46 40.42 1n9y s ILE 30 CO -0.00 0.53 -0.15 0.54 -1.91 0.00 0.00 174.94 173.95 1n9y s VAL 31 N 0.70 1.16 -0.16 4.00 0.11 0.14 -2.08 120.40 124.27 1n9y s VAL 31 Ca -0.08 -1.07 -0.03 0.00 -2.93 0.00 0.00 61.98 57.87 1n9y s VAL 31 Cb -0.16 -1.05 -0.02 0.00 -1.53 0.00 0.00 36.38 33.62 1n9y s VAL 31 CO 0.02 -0.02 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.83 1n9y s THR 32 N -0.91 3.72 -0.52 5.04 2.01 -0.40 -0.50 115.64 124.08 1n9y s THR 32 Ca 0.01 -0.41 -0.16 0.00 0.31 0.00 0.00 61.69 61.44 1n9y s THR 32 Cb -0.08 -2.63 0.10 0.00 0.01 0.00 0.00 72.50 69.89 1n9y s THR 32 CO 0.01 0.48 0.50 0.00 -0.69 0.00 0.00 174.62 174.93 1n9y s ALA 33 N 0.54 3.56 0.53 7.40 0.00 -1.26 -2.49 121.76 130.04 1n9y s ALA 33 Ca -0.04 -2.26 -0.19 0.00 0.00 0.00 0.00 51.96 49.47 1n9y s ALA 33 Cb -0.15 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 1n9y s ALA 33 CO 0.03 -1.95 1.09 0.20 0.00 0.00 0.00 175.76 175.13 1n9y s GLY 34 N 3.14 2.56 0.20 0.00 0.00 0.28 -4.83 107.32 108.67 1n9y s GLY 34 Ca 0.06 0.73 0.17 0.00 0.00 0.00 0.00 44.72 45.67 1n9y s GLY 34 CO 0.06 1.07 1.52 0.00 0.00 0.00 0.00 173.10 175.75 1n9y n ALA 35 N -1.25 1.28 0.94 3.20 0.00 -1.26 -1.46 120.51 121.95 1n9y n ALA 35 Ca 0.11 0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.76 1n9y n ALA 35 Cb 0.52 -1.27 0.31 0.00 0.00 0.00 0.00 19.45 19.01 1n9y n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1n9y n ASP 36 N -2.02 2.33 0.00 0.00 5.75 -1.26 -4.95 116.55 116.41 1n9y n ASP 36 Ca 0.00 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1n9y n ASP 36 Cb 0.10 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 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 1.27 0.64 3.86 6.12 0.00 -0.54 -4.99 105.19 111.55 1n9y n GLY 37 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.47 3.31 -0.15 4.61 0.00 -1.25 -1.23 121.76 124.58 1n9y s ALA 38 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.94 1n9y s ALA 38 Cb 0.00 -2.77 0.02 0.00 0.00 0.00 0.00 23.12 20.36 1n9y s ALA 38 CO 0.00 0.15 -0.19 -0.51 0.00 0.00 0.00 175.76 175.21 1n9y s LEU 39 N -3.41 2.00 0.01 0.00 1.43 -0.62 -0.56 118.68 117.53 1n9y s LEU 39 Ca 0.53 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1n9y s LEU 39 Cb -0.10 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 1n9y s LEU 39 CO 0.24 0.03 -0.05 0.42 0.23 0.00 0.00 176.35 177.22 1n9y s THR 40 N 1.07 0.34 -1.39 5.49 -4.23 -1.04 -0.50 115.64 115.39 1n9y s THR 40 Ca -0.02 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 1n9y s THR 40 Cb -0.14 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.34 1n9y s THR 40 CO -0.06 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.50 1n9y n GLY 41 N 2.36 -0.55 2.94 3.99 0.00 -0.74 -1.28 105.19 111.91 1n9y n GLY 41 Ca -0.17 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 1n9y n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9y s THR 42 N -3.04 0.33 -0.19 2.61 2.01 -0.88 -1.58 115.64 114.90 1n9y s THR 42 Ca 0.00 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.82 1n9y s THR 42 Cb 0.00 -0.28 0.02 0.00 0.01 0.00 0.00 72.50 72.25 1n9y s THR 42 CO 0.00 0.09 -0.17 -0.47 -0.69 0.00 0.00 174.62 173.37 1n9y s TYR 43 N -0.11 2.81 -0.29 4.92 6.14 -0.19 -1.37 117.35 129.26 1n9y s TYR 43 Ca 0.01 -1.55 -0.08 0.00 0.64 0.00 0.00 57.07 56.09 1n9y s TYR 43 Cb -0.02 -1.95 -0.01 0.00 0.42 0.00 0.00 41.96 40.40 1n9y s TYR 43 CO -0.00 -0.77 0.11 -2.00 0.64 0.00 0.00 175.55 173.53 1n9y s GLU 44 N 1.32 3.40 0.21 4.97 2.12 0.05 -0.93 118.70 129.84 1n9y s GLU 44 Ca 0.05 -0.66 0.25 0.00 0.36 0.00 0.00 54.97 54.97 1n9y s GLU 44 Cb -0.13 -3.44 0.62 0.00 0.26 0.00 0.00 34.13 31.43 1n9y s GLU 44 CO -0.11 -0.34 1.62 0.66 -0.54 0.00 0.00 175.26 176.55 1n9y h SER 45 N 8.29 0.00 -2.30 -1.70 4.64 -1.56 -2.03 113.55 118.89 1n9y h SER 45 Ca -0.34 -0.05 -0.19 0.00 -0.47 0.00 0.00 61.79 60.73 1n9y h SER 45 Cb 1.15 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.93 1n9y h SER 45 CO 0.60 0.03 -0.51 0.00 -0.87 0.00 0.00 176.83 176.08 1n9y s ALA 46 N -3.14 -0.81 -0.70 5.18 0.00 -1.26 -4.42 121.76 116.61 1n9y s ALA 46 Ca 0.09 0.84 -0.27 0.00 0.00 0.00 0.00 51.96 52.62 1n9y s ALA 46 Cb 0.12 -1.43 -0.26 0.00 0.00 0.00 0.00 23.12 21.55 1n9y s ALA 46 CO 0.64 -1.07 1.90 0.28 0.00 0.00 0.00 175.76 177.51 1n9y n VAL 47 N 5.36 0.41 0.00 0.00 0.31 -1.17 -4.88 118.33 118.36 1n9y n VAL 47 Ca -0.05 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1n9y n VAL 47 Cb 0.50 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 1n9y n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n9y n ALA 50 N 14.41 1.43 1.79 3.52 0.00 -1.26 -5.10 120.51 135.30 1n9y n ALA 50 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1n9y n ALA 50 Cb 0.45 0.11 0.02 0.00 0.00 0.00 0.00 19.45 20.02 1n9y n ALA 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1n9y n GLU 51 N -1.18 0.90 -0.12 0.00 1.02 -1.26 -3.44 120.64 116.55 1n9y n GLU 51 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 1n9y n GLU 51 Cb 0.22 -1.01 0.15 0.00 -0.02 0.00 0.00 31.44 30.78 1n9y n GLU 51 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1n9y n SER 52 N -0.51 2.55 -4.71 1.62 3.41 -1.26 -4.81 113.62 109.90 1n9y n SER 52 Ca 0.01 -3.05 -0.35 0.00 -0.26 0.00 0.00 58.87 55.22 1n9y n SER 52 Cb 0.00 -0.43 -0.09 0.00 -0.26 0.00 0.00 64.21 63.43 1n9y n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1n9y s ARG 53 N -2.81 3.03 0.04 4.33 0.52 -1.22 -1.53 118.95 121.31 1n9y s ARG 53 Ca 0.32 -0.39 0.02 0.00 -0.52 0.00 0.00 55.73 55.16 1n9y s ARG 53 Cb 0.28 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.89 1n9y s ARG 53 CO 0.04 0.70 -0.07 0.71 0.02 0.00 0.00 175.30 176.70 1n9y s TYR 54 N -0.94 0.64 0.37 -0.53 2.02 -0.11 -4.81 117.35 114.00 1n9y s TYR 54 Ca 0.15 -0.55 -0.26 0.00 -0.37 0.00 0.00 57.07 56.03 1n9y s TYR 54 Cb -0.11 -0.39 -0.09 0.00 -0.40 0.00 0.00 41.96 40.97 1n9y s TYR 54 CO 0.04 -0.11 1.20 0.08 -1.57 0.00 0.00 175.55 175.19 1n9y s VAL 55 N -1.63 3.07 0.02 0.71 1.01 -1.26 -1.03 120.40 121.29 1n9y s VAL 55 Ca -0.08 0.96 0.08 0.00 0.00 0.00 0.00 61.98 62.93 1n9y s VAL 55 Cb -0.08 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1n9y s VAL 55 CO -0.00 0.14 -0.23 -1.48 0.00 0.00 0.00 175.10 173.52 1n9y s LEU 56 N -2.21 2.12 -0.06 3.92 0.05 -0.62 -4.37 118.68 117.51 1n9y s LEU 56 Ca 0.54 -0.50 -0.05 0.00 0.05 0.00 0.00 54.13 54.17 1n9y s LEU 56 Cb -0.33 -1.14 0.02 0.00 -2.05 0.00 0.00 46.19 42.68 1n9y s LEU 56 CO 0.42 0.24 0.15 -0.89 -0.55 0.00 0.00 176.35 175.73 1n9y s THR 57 N -0.70 -0.01 0.00 5.48 2.01 -0.83 -1.79 115.64 119.80 1n9y s THR 57 Ca 0.09 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.13 1n9y s THR 57 Cb -0.09 -0.23 0.00 0.00 0.01 0.00 0.00 72.50 72.19 1n9y s THR 57 CO 0.01 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 1n9y n GLY 58 N 3.27 2.15 3.08 4.40 0.00 0.34 -0.97 105.19 117.47 1n9y n GLY 58 Ca -0.16 -0.58 -0.08 0.00 0.00 0.00 0.00 46.02 45.20 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 1.34 0.56 0.12 1.61 1.81 -0.05 -1.58 118.95 122.76 1n9y s ARG 59 Ca 0.00 -0.93 -0.12 0.00 -1.72 0.00 0.00 55.73 52.96 1n9y s ARG 59 Cb 0.00 0.20 0.01 0.00 -0.45 0.00 0.00 34.95 34.72 1n9y s ARG 59 CO 0.00 -0.12 0.29 1.52 -0.68 0.00 0.00 175.30 176.31 1n9y s TYR 60 N -3.01 0.05 -0.55 -0.53 1.13 -0.37 -1.23 117.35 112.85 1n9y s TYR 60 Ca -0.02 -0.43 -0.28 0.00 -1.41 0.00 0.00 57.07 54.94 1n9y s TYR 60 Cb 0.01 0.07 0.00 0.00 -1.10 0.00 0.00 41.96 40.95 1n9y s TYR 60 CO -0.07 -0.64 1.55 0.34 -2.51 0.00 0.00 175.55 174.23 1n9y s ASP 61 N -2.86 5.92 0.00 -0.18 2.15 -0.05 -4.59 116.67 117.07 1n9y s ASP 61 Ca 0.06 0.41 0.31 0.00 0.43 0.00 0.00 52.55 53.76 1n9y s ASP 61 Cb 0.03 -2.54 1.63 0.00 -0.30 0.00 0.00 42.92 41.75 1n9y s ASP 61 CO -0.10 -1.85 2.08 -1.54 -0.17 0.00 0.00 175.17 173.59 1n9y n SER 62 N 10.34 0.30 -3.17 -0.34 3.41 -1.26 -3.99 113.62 118.90 1n9y n SER 62 Ca 0.15 -0.91 -0.21 0.00 -0.26 0.00 0.00 58.87 57.64 1n9y n SER 62 Cb 0.49 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.84 2.52 -0.77 7.33 0.00 -1.26 -5.04 120.51 122.45 1n9y n ALA 63 Ca 0.21 -3.62 -0.29 0.00 0.00 0.00 0.00 53.44 49.73 1n9y n ALA 63 Cb 0.19 -0.87 0.20 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.23 0.16 0.77 0.00 0.04 -1.26 -5.00 135.00 127.48 1n9y s PRO 64 Ca 0.40 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.35 1n9y s PRO 64 Cb 0.29 -1.67 0.06 0.00 0.04 0.00 0.00 34.50 33.22 1n9y s PRO 64 CO -0.09 -3.05 1.09 0.00 0.04 0.00 0.00 177.00 174.99 1n9y s ALA 65 N -2.64 2.26 -0.41 8.56 0.00 -1.26 -4.97 121.76 123.30 1n9y s ALA 65 Ca 0.67 0.25 0.06 0.00 0.00 0.00 0.00 51.96 52.94 1n9y s ALA 65 Cb -0.22 -3.27 0.43 0.00 0.00 0.00 0.00 23.12 20.06 1n9y s ALA 65 CO 0.61 -1.75 1.12 2.41 0.00 0.00 0.00 175.76 178.14 1n9y n THR 66 N -3.51 2.35 -0.48 0.00 -1.04 -1.26 -4.68 114.28 105.65 1n9y n THR 66 Ca 0.09 -4.76 0.06 0.00 -2.04 0.00 0.00 64.05 57.40 1n9y n THR 66 Cb 0.53 -1.17 0.15 0.00 -1.82 0.00 0.00 70.33 68.01 1n9y n THR 66 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1n9y n ASP 67 N -0.50 2.91 0.00 8.00 5.75 -1.26 -4.95 116.55 126.50 1n9y n ASP 67 Ca 0.39 -2.42 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 1n9y n ASP 67 Cb 0.71 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 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 -0.23 0.38 3.83 6.12 0.00 -1.26 -5.09 105.19 108.94 1n9y n GLY 68 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.47 6.60 0.88 1.61 0.01 -1.26 -5.07 113.70 114.00 1n9y s SER 69 Ca 0.00 1.62 -0.08 0.00 1.31 0.00 0.00 55.95 58.80 1n9y s SER 69 Cb 0.00 -2.52 0.15 0.00 0.21 0.00 0.00 66.02 63.86 1n9y s SER 69 CO 0.00 -0.60 0.91 0.61 0.41 0.00 0.00 173.24 174.57 1n9y n GLY 70 N -1.35 -0.68 3.41 3.44 0.00 -1.26 -4.82 105.19 103.93 1n9y n GLY 70 Ca 0.07 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.86 4.60 0.42 2.61 2.01 -0.36 -4.77 115.64 117.29 1n9y s THR 71 Ca 0.54 -0.60 -0.25 0.00 0.31 0.00 0.00 61.69 61.69 1n9y s THR 71 Cb -0.02 -3.44 -0.08 0.00 0.01 0.00 0.00 72.50 68.97 1n9y s THR 71 CO 0.37 -0.06 1.24 0.00 -0.69 0.00 0.00 174.62 175.48 1n9y s ALA 72 N 1.59 3.16 0.36 7.40 0.00 -1.26 -0.67 121.76 132.34 1n9y s ALA 72 Ca 0.04 1.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.97 1n9y s ALA 72 Cb -0.18 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.54 1n9y s ALA 72 CO 0.06 -0.72 0.68 -0.48 0.00 0.00 0.00 175.76 175.30 1n9y s LEU 73 N -2.58 0.25 -0.21 0.00 0.05 -0.59 -0.87 118.68 114.74 1n9y s LEU 73 Ca 0.58 -1.16 -0.29 0.00 0.05 0.00 0.00 54.13 53.31 1n9y s LEU 73 Cb -0.34 2.42 0.15 0.00 -2.05 0.00 0.00 46.19 46.37 1n9y s LEU 73 CO 0.43 -1.52 1.11 -0.83 -0.55 0.00 0.00 176.35 174.99 1n9y s GLY 74 N -3.09 -0.14 0.17 -3.48 0.00 -0.37 -1.67 107.32 98.74 1n9y s GLY 74 Ca 0.19 2.34 -0.12 0.00 0.00 0.00 0.00 44.72 47.12 1n9y s GLY 74 CO 0.13 1.13 0.38 0.66 0.00 0.00 0.00 173.10 175.39 1n9y s TRP 75 N -0.97 0.17 0.07 1.90 -2.14 -0.30 -0.87 118.94 116.81 1n9y s TRP 75 Ca 0.02 -0.53 0.07 0.00 2.66 0.00 0.00 56.10 58.32 1n9y s TRP 75 Cb -0.01 0.13 -0.03 0.00 -3.10 0.00 0.00 33.47 30.46 1n9y s TRP 75 CO -0.02 -0.79 -0.18 0.99 -2.66 0.00 0.00 176.95 174.29 1n9y s THR 76 N -3.92 1.43 -0.09 0.66 2.01 -0.14 -0.70 115.64 114.90 1n9y s THR 76 Ca 0.13 -1.30 -0.01 0.00 0.31 0.00 0.00 61.69 60.83 1n9y s THR 76 Cb 0.02 -1.30 0.03 0.00 0.01 0.00 0.00 72.50 71.25 1n9y s THR 76 CO -0.02 -0.03 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.16 1n9y s VAL 77 N -1.04 0.67 -0.19 3.82 1.01 0.28 -1.96 120.40 123.00 1n9y s VAL 77 Ca 0.04 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 1n9y s VAL 77 Cb -0.09 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1n9y s VAL 77 CO 0.03 0.30 0.46 0.00 0.00 0.00 0.00 175.10 175.89 1n9y s ALA 78 N 1.77 3.54 -0.44 5.51 0.00 -1.26 -0.82 121.76 130.06 1n9y s ALA 78 Ca 0.04 -0.42 -0.07 0.00 0.00 0.00 0.00 51.96 51.50 1n9y s ALA 78 Cb -0.13 -2.71 -0.21 0.00 0.00 0.00 0.00 23.12 20.07 1n9y s ALA 78 CO -0.06 -0.32 3.43 0.91 0.00 0.00 0.00 175.76 179.72 1n9y n TRP 79 N 4.49 0.68 -4.84 0.00 7.02 0.15 -4.76 117.44 120.17 1n9y n TRP 79 Ca -0.07 -1.93 -0.25 0.00 -1.02 0.00 0.00 57.50 54.23 1n9y n TRP 79 Cb 0.51 -1.83 -0.15 0.00 -2.42 0.00 0.00 31.31 27.42 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 1.21 1.48 0.00 -0.99 2.20 -1.26 -1.57 119.74 120.82 1n9y s LYS 80 Ca 0.67 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 55.66 1n9y s LYS 80 Cb 0.28 -1.41 0.00 0.00 -1.51 0.00 0.00 37.83 35.20 1n9y s LYS 80 CO -0.02 0.36 0.00 0.27 -0.36 0.00 0.00 175.35 175.60 1n9y n ASN 81 N 2.72 0.00 0.08 1.43 0.23 -0.55 -4.78 115.26 114.39 1n9y n ASN 81 Ca -0.15 -0.44 0.12 0.00 -0.53 0.00 0.00 54.58 53.58 1n9y n ASN 81 Cb 0.54 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.69 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 -1.22 0.47 -0.00 0.53 5.03 -1.26 -3.51 115.26 115.30 1n9y n ASN 82 Ca 0.00 0.58 0.03 0.00 0.87 0.00 0.00 54.58 56.06 1n9y n ASN 82 Cb 0.00 -0.69 -0.04 0.00 -1.02 0.00 0.00 39.78 38.02 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 -1.98 0.00 -3.63 3.10 4.01 -1.26 -5.07 117.16 112.34 1n9y n TYR 83 Ca 0.04 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.69 1n9y n TYR 83 Cb 0.30 -0.10 -0.02 0.00 -0.31 0.00 0.00 39.34 39.21 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 -2.21 1.41 -0.30 -0.72 1.70 -1.23 -5.15 118.95 112.45 1n9y s ARG 84 Ca -0.01 -0.66 -0.06 0.00 -0.47 0.00 0.00 55.73 54.53 1n9y s ARG 84 Cb 0.04 0.56 0.16 0.00 -0.57 0.00 0.00 34.95 35.13 1n9y s ARG 84 CO 0.24 -0.63 0.63 1.21 -1.08 0.00 0.00 175.30 175.67 1n9y s ASN 85 N -2.80 -1.26 0.00 -2.89 3.84 -1.26 -1.48 114.94 109.08 1n9y s ASN 85 Ca 0.06 1.22 0.21 0.00 0.21 0.00 0.00 52.86 54.57 1n9y s ASN 85 Cb -0.03 2.23 0.61 0.00 -0.55 0.00 0.00 41.25 43.51 1n9y s ASN 85 CO -0.04 -0.24 1.48 0.00 -2.79 0.00 0.00 177.10 175.51 1n9y n ALA 86 N 5.44 2.48 -3.82 1.71 0.00 -0.61 -4.96 120.51 120.75 1n9y n ALA 86 Ca -0.07 -0.69 -0.26 0.00 0.00 0.00 0.00 53.44 52.42 1n9y n ALA 86 Cb 0.50 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 18.95 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 0.75 -1.78 -3.79 0.00 -0.00 -1.26 -4.85 115.22 104.29 1n9y n HIS 87 Ca 0.17 0.67 -0.09 0.00 -0.00 0.00 0.00 57.72 58.47 1n9y n HIS 87 Cb 0.42 -3.78 -0.04 0.00 -0.00 0.00 0.00 29.99 26.60 1n9y n HIS 87 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1n9y s SER 88 N -4.09 -0.25 -0.16 0.41 0.01 -1.26 -0.76 113.70 107.59 1n9y s SER 88 Ca 0.15 -0.55 -0.18 0.00 1.31 0.00 0.00 55.95 56.68 1n9y s SER 88 Cb -0.05 0.61 0.05 0.00 0.21 0.00 0.00 66.02 66.84 1n9y s SER 88 CO 0.86 -1.13 0.49 0.00 0.41 0.00 0.00 173.24 173.88 1n9y s ALA 89 N -3.90 -1.22 -0.09 1.44 0.00 -0.23 -0.68 121.76 117.09 1n9y s ALA 89 Ca 0.11 1.30 0.01 0.00 0.00 0.00 0.00 51.96 53.38 1n9y s ALA 89 Cb -0.02 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 1n9y s ALA 89 CO 0.01 -0.24 -0.10 0.99 0.00 0.00 0.00 175.76 176.41 1n9y s THR 90 N 0.05 3.40 -0.12 0.00 2.01 0.00 -0.86 115.64 120.12 1n9y s THR 90 Ca -0.02 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.42 1n9y s THR 90 Cb -0.03 -2.40 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 1n9y s THR 90 CO 0.01 0.56 -0.16 0.42 -0.69 0.00 0.00 174.62 174.77 1n9y s THR 91 N -0.33 2.80 -0.16 -0.82 -4.23 -0.38 -0.55 115.64 111.97 1n9y s THR 91 Ca 0.04 -0.76 -0.04 0.00 -1.18 0.00 0.00 61.69 59.75 1n9y s THR 91 Cb -0.13 -2.15 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 1n9y s THR 91 CO 0.02 0.54 -0.02 0.26 -0.54 0.00 0.00 174.62 174.88 1n9y s TRP 92 N 0.30 3.06 -0.10 3.99 0.51 0.13 -0.55 118.94 126.28 1n9y s TRP 92 Ca -0.12 -0.24 0.03 0.00 -2.12 0.00 0.00 56.10 53.65 1n9y s TRP 92 Cb -0.16 -1.97 -0.01 0.00 -0.81 0.00 0.00 33.47 30.52 1n9y s TRP 92 CO 0.06 -0.00 -0.22 0.45 -0.51 0.00 0.00 176.95 176.74 1n9y s SER 93 N 0.34 3.31 0.00 2.95 0.15 0.57 -1.14 113.70 119.87 1n9y s SER 93 Ca -0.03 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1n9y s SER 93 Cb -0.14 -1.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.80 1n9y s SER 93 CO 0.03 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1n9y n GLY 94 N 3.42 1.14 3.08 9.45 0.00 -0.67 -0.77 105.19 120.84 1n9y n GLY 94 Ca -0.19 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 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 1.16 0.40 0.00 1.61 -2.07 -0.25 -1.54 119.66 118.96 1n9y s GLN 95 Ca 0.00 -0.24 -0.22 0.00 -1.82 0.00 0.00 55.36 53.09 1n9y s GLN 95 Cb 0.00 0.17 -0.05 0.00 -1.09 0.00 0.00 33.01 32.04 1n9y s GLN 95 CO 0.00 -0.09 0.64 -0.47 -1.32 0.00 0.00 175.29 174.05 1n9y s TYR 96 N -0.98 3.69 -0.21 9.60 5.04 0.16 -0.80 117.35 133.84 1n9y s TYR 96 Ca -0.11 1.26 0.02 0.00 -2.44 0.00 0.00 57.07 55.80 1n9y s TYR 96 Cb -0.06 -2.67 0.03 0.00 0.35 0.00 0.00 41.96 39.62 1n9y s TYR 96 CO 0.01 0.31 -0.17 0.08 -1.34 0.00 0.00 175.55 174.45 1n9y s VAL 97 N -0.08 2.12 0.00 3.14 1.01 0.49 -1.22 120.40 125.85 1n9y s VAL 97 Ca 0.33 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1n9y s VAL 97 Cb -0.19 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1n9y s VAL 97 CO 0.18 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1n9y n GLY 98 N 4.56 -0.38 0.00 4.51 0.00 -1.26 -1.07 105.19 111.56 1n9y n GLY 98 Ca -0.19 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1n9y n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n9y n GLY 99 N 5.00 0.71 0.37 -0.02 0.00 -1.26 -4.39 105.19 105.61 1n9y n GLY 99 Ca 0.00 -2.18 0.16 0.00 0.00 0.00 0.00 46.02 44.00 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 2.20 -2.06 4.61 0.00 -2.07 -3.07 119.26 118.88 1n9y h ALA 100 Ca 0.00 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.26 1n9y h ALA 100 Cb 0.00 -0.04 -0.39 0.00 0.00 0.00 0.00 17.79 17.37 1n9y h ALA 100 CO 0.00 -0.38 -0.26 0.39 0.00 0.00 0.00 179.25 179.00 1n9y n GLU 101 N -4.45 3.73 -1.99 0.00 1.02 -1.26 -5.08 120.64 112.61 1n9y n GLU 101 Ca 0.12 -4.82 -0.38 0.00 -0.02 0.00 0.00 57.16 52.06 1n9y n GLU 101 Cb 0.52 -2.29 0.01 0.00 -0.02 0.00 0.00 31.44 29.66 1n9y n GLU 101 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n9y s ALA 102 N -3.64 3.01 0.04 0.62 0.00 -1.16 -4.92 121.76 115.71 1n9y s ALA 102 Ca 0.47 1.21 -0.02 0.00 0.00 0.00 0.00 51.96 53.62 1n9y s ALA 102 Cb 0.26 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 1n9y s ALA 102 CO -0.13 -1.02 -0.01 1.03 0.00 0.00 0.00 175.76 175.63 1n9y s ARG 103 N -2.64 0.54 -0.25 0.00 1.81 -0.23 -4.27 118.95 113.92 1n9y s ARG 103 Ca 0.65 -1.01 0.02 0.00 -1.72 0.00 0.00 55.73 53.66 1n9y s ARG 103 Cb -0.37 0.19 0.05 0.00 -0.45 0.00 0.00 34.95 34.38 1n9y s ARG 103 CO 0.45 -0.11 -0.12 0.42 -0.68 0.00 0.00 175.30 175.26 1n9y s ILE 104 N -3.19 2.20 -0.26 1.52 1.01 -0.42 -0.38 121.20 121.69 1n9y s ILE 104 Ca 0.00 -1.47 -0.10 0.00 0.00 0.00 0.00 60.65 59.08 1n9y s ILE 104 Cb 0.03 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1n9y s ILE 104 CO -0.07 0.09 0.14 0.20 0.00 0.00 0.00 174.94 175.30 1n9y s ASN 105 N 1.15 5.77 0.18 3.58 0.01 0.02 -1.10 114.94 124.55 1n9y s ASN 105 Ca -0.06 -0.03 0.07 0.00 -0.71 0.00 0.00 52.86 52.13 1n9y s ASN 105 Cb -0.19 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 1n9y s ASN 105 CO -0.06 -0.01 -0.14 0.42 -1.51 0.00 0.00 177.10 175.80 1n9y s THR 106 N 1.49 1.56 0.04 1.60 -4.23 -0.18 -1.09 115.64 114.83 1n9y s THR 106 Ca 0.07 -2.10 0.06 0.00 -1.18 0.00 0.00 61.69 58.53 1n9y s THR 106 Cb -0.15 -1.93 -0.03 0.00 1.34 0.00 0.00 72.50 71.73 1n9y s THR 106 CO 0.07 -0.60 -0.13 -1.10 -0.54 0.00 0.00 174.62 172.32 1n9y s GLN 107 N -3.51 2.22 0.14 3.99 -0.21 0.05 -2.07 119.66 120.27 1n9y s GLN 107 Ca 0.19 -0.91 0.03 0.00 0.02 0.00 0.00 55.36 54.69 1n9y s GLN 107 Cb -0.01 -2.30 -0.04 0.00 1.00 0.00 0.00 33.01 31.66 1n9y s GLN 107 CO 0.05 0.55 -0.07 1.67 -2.12 0.00 0.00 175.29 175.37 1n9y s TRP 108 N -1.00 1.14 -0.06 0.91 1.48 0.53 -0.32 118.94 121.63 1n9y s TRP 108 Ca 0.16 -0.86 0.01 0.00 -1.06 0.00 0.00 56.10 54.35 1n9y s TRP 108 Cb -0.11 -0.62 0.02 0.00 -1.16 0.00 0.00 33.47 31.60 1n9y s TRP 108 CO 0.07 -0.05 -0.06 -0.51 -4.06 0.00 0.00 176.95 172.34 1n9y s LEU 109 N -3.13 1.31 -0.25 -4.66 1.43 0.29 -1.79 118.68 111.88 1n9y s LEU 109 Ca 0.17 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.05 1n9y s LEU 109 Cb 0.04 -0.58 0.01 0.00 0.03 0.00 0.00 46.19 45.69 1n9y s LEU 109 CO -0.00 -0.06 -0.01 -0.22 0.23 0.00 0.00 176.35 176.29 1n9y s LEU 110 N 1.05 3.25 -0.13 1.79 2.96 -0.08 -1.24 118.68 126.27 1n9y s LEU 110 Ca -0.09 -0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 53.18 1n9y s LEU 110 Cb -0.14 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 1n9y s LEU 110 CO -0.00 -0.10 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.97 1n9y s THR 111 N 1.44 3.61 0.05 3.68 2.01 -0.04 -1.02 115.64 125.37 1n9y s THR 111 Ca 0.03 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.57 1n9y s THR 111 Cb -0.16 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 1n9y s THR 111 CO -0.02 0.52 0.14 -0.44 -0.69 0.00 0.00 174.62 174.13 1n9y s SER 112 N 0.16 5.97 0.21 3.53 0.01 -0.43 -1.06 113.70 122.09 1n9y s SER 112 Ca -0.03 0.16 -0.30 0.00 1.31 0.00 0.00 55.95 57.09 1n9y s SER 112 Cb -0.14 -1.75 -0.09 0.00 0.21 0.00 0.00 66.02 64.25 1n9y s SER 112 CO 0.04 0.20 1.37 -0.83 0.41 0.00 0.00 173.24 174.42 1n9y s GLY 113 N -2.28 2.35 0.04 3.44 0.00 0.06 -4.85 107.32 106.07 1n9y s GLY 113 Ca 0.30 1.19 -0.02 0.00 0.00 0.00 0.00 44.72 46.20 1n9y s GLY 113 CO 0.23 2.18 -0.00 -0.51 0.00 0.00 0.00 173.10 174.99 1n9y s THR 114 N 0.17 0.16 0.82 0.90 -4.23 -1.26 -5.00 115.64 107.21 1n9y s THR 114 Ca 0.58 -1.36 -0.12 0.00 -1.18 0.00 0.00 61.69 59.62 1n9y s THR 114 Cb -0.39 -0.96 0.09 0.00 1.34 0.00 0.00 72.50 72.58 1n9y s THR 114 CO 0.39 -0.75 1.10 0.42 -0.54 0.00 0.00 174.62 175.25 1n9y s THR 115 N -2.82 2.84 0.42 3.99 -4.23 -1.26 -4.87 115.64 109.71 1n9y s THR 115 Ca -0.03 0.27 0.12 0.00 -1.18 0.00 0.00 61.69 60.87 1n9y s THR 115 Cb 0.00 -3.01 0.18 0.00 1.34 0.00 0.00 72.50 71.01 1n9y s THR 115 CO -0.06 -0.36 1.97 1.05 -0.54 0.00 0.00 174.62 176.68 1n9y h GLU 116 N -1.19 0.11 0.00 3.99 9.09 -2.02 -0.86 114.58 123.71 1n9y h GLU 116 Ca -0.48 -0.02 -0.02 0.00 0.05 0.00 0.00 59.36 58.89 1n9y h GLU 116 Cb 1.28 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 28.36 1n9y h GLU 116 CO 0.60 0.26 -0.10 0.00 0.05 0.00 0.00 179.01 179.82 1n9y h ALA 117 N 1.75 1.39 -0.45 1.06 0.00 -2.07 -1.85 119.26 119.09 1n9y h ALA 117 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1n9y h ALA 117 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1n9y h ALA 117 CO 0.02 0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.49 1n9y n ASN 118 N -3.78 3.65 0.25 0.00 3.02 -0.39 -4.58 115.26 113.43 1n9y n ASN 118 Ca -0.02 -2.28 0.12 0.00 -0.03 0.00 0.00 54.58 52.37 1n9y n ASN 118 Cb 0.21 -0.40 0.63 0.00 -0.61 0.00 0.00 39.78 39.61 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 2.77 1.15 -0.08 5.41 0.00 -0.69 -2.32 119.26 125.49 1n9y h ALA 119 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1n9y h ALA 119 Cb 1.05 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1n9y h ALA 119 CO 0.09 0.19 0.08 0.11 0.00 0.00 0.00 179.25 179.72 1n9y h TRP 120 N 0.00 0.00 -0.47 0.00 5.08 -1.81 -2.19 115.95 116.56 1n9y h TRP 120 Ca -0.00 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.88 1n9y h TRP 120 Cb 0.50 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.61 1n9y h TRP 120 CO 0.00 0.00 0.07 0.36 -1.28 0.00 0.00 178.44 177.59 1n9y n LYS 121 N -3.95 3.38 0.15 0.12 2.85 -0.88 -4.73 118.16 115.10 1n9y n LYS 121 Ca -0.01 -3.02 0.12 0.00 -1.05 0.00 0.00 58.31 54.36 1n9y n LYS 121 Cb 0.18 -2.03 0.28 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 2.35 0.00 -3.21 -5.58 4.64 -1.44 -3.46 113.55 106.85 1n9y h SER 122 Ca 0.10 -0.01 -0.57 0.00 -0.47 0.00 0.00 61.79 60.84 1n9y h SER 122 Cb 1.83 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.55 1n9y h SER 122 CO 0.44 0.01 -0.81 -0.89 -0.87 0.00 0.00 176.83 174.70 1n9y s THR 123 N -3.16 1.31 0.29 2.95 2.01 -1.26 -1.31 115.64 116.47 1n9y s THR 123 Ca 0.09 -0.55 -0.11 0.00 0.31 0.00 0.00 61.69 61.43 1n9y s THR 123 Cb 0.09 -1.32 -0.07 0.00 0.01 0.00 0.00 72.50 71.21 1n9y s THR 123 CO 0.64 0.34 0.64 -0.76 -0.69 0.00 0.00 174.62 174.79 1n9y s LEU 124 N 1.58 4.08 0.06 4.42 1.43 -0.19 -4.93 118.68 125.13 1n9y s LEU 124 Ca 0.04 1.04 0.04 0.00 -1.03 0.00 0.00 54.13 54.22 1n9y s LEU 124 Cb -0.13 -3.84 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 1n9y s LEU 124 CO -0.09 -0.17 -0.13 0.54 0.23 0.00 0.00 176.35 176.73 1n9y s VAL 125 N -1.97 0.97 0.00 -1.59 0.11 -1.26 -0.90 120.40 115.75 1n9y s VAL 125 Ca 0.50 -1.18 0.00 0.00 -2.93 0.00 0.00 61.98 58.36 1n9y s VAL 125 Cb -0.11 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1n9y s VAL 125 CO 0.22 -0.21 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 1n9y n GLY 126 N 1.46 1.61 3.14 6.54 0.00 -0.74 -4.99 105.19 112.20 1n9y n GLY 126 Ca -0.21 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.69 0.18 -0.17 1.61 -3.43 -1.26 -0.35 115.29 108.18 1n9y s HIS 127 Ca 0.00 -0.49 -0.15 0.00 -0.80 0.00 0.00 55.06 53.62 1n9y s HIS 127 Cb 0.00 -0.12 0.05 0.00 -1.43 0.00 0.00 32.58 31.07 1n9y s HIS 127 CO 0.00 -0.40 0.46 0.34 -2.00 0.00 0.00 174.74 173.14 1n9y s ASP 128 N -2.22 -0.49 -0.12 7.38 2.15 -0.88 -4.91 116.67 117.58 1n9y s ASP 128 Ca -0.03 0.93 -0.00 0.00 0.43 0.00 0.00 52.55 53.88 1n9y s ASP 128 Cb -0.00 0.93 -0.02 0.00 -0.30 0.00 0.00 42.92 43.54 1n9y s ASP 128 CO -0.05 -0.16 -0.12 -0.89 -0.17 0.00 0.00 175.17 173.77 1n9y s THR 129 N 0.35 3.18 0.09 1.71 2.01 -1.26 -1.01 115.64 120.70 1n9y s THR 129 Ca -0.01 -0.63 0.06 0.00 0.31 0.00 0.00 61.69 61.43 1n9y s THR 129 Cb -0.04 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1n9y s THR 129 CO -0.01 0.53 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.00 1n9y s PHE 130 N 0.17 2.76 0.22 4.92 0.40 -0.25 -4.50 117.98 121.71 1n9y s PHE 130 Ca -0.06 -0.14 0.05 0.00 -0.60 0.00 0.00 56.93 56.18 1n9y s PHE 130 Cb -0.15 -1.46 -0.05 0.00 0.51 0.00 0.00 43.02 41.87 1n9y s PHE 130 CO 0.05 0.41 -0.05 0.95 0.70 0.00 0.00 175.22 177.28 1n9y s THR 131 N -1.18 1.30 -0.97 0.64 -4.23 -0.77 -1.30 115.64 109.13 1n9y s THR 131 Ca 0.21 -2.08 0.26 0.00 -1.18 0.00 0.00 61.69 58.90 1n9y s THR 131 Cb -0.11 -2.24 0.10 0.00 1.34 0.00 0.00 72.50 71.59 1n9y s THR 131 CO 0.13 -0.43 1.61 0.29 -0.54 0.00 0.00 174.62 175.67 1n9y n LYS 132 N -0.41 0.03 -3.76 3.99 5.02 -1.26 -1.45 118.16 120.32 1n9y n LYS 132 Ca -0.06 0.01 -0.36 0.00 -2.02 0.00 0.00 58.31 55.87 1n9y n LYS 132 Cb 0.63 -1.52 -0.11 0.00 -0.02 0.00 0.00 35.03 34.01 1n9y n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1n9y s VAL 133 N -3.01 4.84 -2.00 -0.18 1.01 -1.26 -4.90 120.40 114.89 1n9y s VAL 133 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.16 1n9y s VAL 133 Cb 0.18 -3.26 0.16 0.00 0.00 0.00 0.00 36.38 33.46 1n9y s VAL 133 CO 0.64 0.34 0.81 1.17 0.00 0.00 0.00 175.10 178.06