#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9m s ALA 15 N 0.00 2.42 0.00 4.31 0.00 -1.26 -4.80 121.76 122.43 1n9m s ALA 15 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 50.04 1n9m s ALA 15 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1n9m s ALA 15 CO 0.00 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1n9m n GLY 16 N -0.61 1.04 0.26 0.00 0.00 -1.26 -4.53 105.19 100.09 1n9m n GLY 16 Ca -0.05 -0.96 -0.02 0.00 0.00 0.00 0.00 46.02 44.98 1n9m n GLY 16 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1n9m h ILE 17 N 0.00 1.23 -2.30 -0.61 2.04 -1.98 -3.42 117.51 112.47 1n9m h ILE 17 Ca 0.00 -1.01 -0.57 0.00 1.00 0.00 0.00 64.86 64.28 1n9m h ILE 17 Cb 0.00 1.09 0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1n9m h ILE 17 CO 0.00 0.34 1.06 0.41 0.00 0.00 0.00 178.15 179.95 1n9m n THR 18 N -4.21 0.39 -3.74 -0.27 -1.04 -1.26 -4.85 114.28 99.31 1n9m n THR 18 Ca 0.01 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1n9m n THR 18 Cb 0.32 -1.95 0.00 0.00 -1.82 0.00 0.00 70.33 66.88 1n9m n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n9m n GLY 19 N 4.15 -1.04 3.37 3.41 0.00 -0.91 -4.87 105.19 109.30 1n9m n GLY 19 Ca 0.19 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 1n9m n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9m s THR 20 N -2.95 3.62 0.18 2.61 2.01 -1.26 -1.91 115.64 117.94 1n9m s THR 20 Ca 0.00 -0.42 0.10 0.00 0.31 0.00 0.00 61.69 61.68 1n9m s THR 20 Cb 0.00 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1n9m s THR 20 CO 0.00 0.43 -0.18 0.26 -0.69 0.00 0.00 174.62 174.44 1n9m s TRP 21 N 1.23 2.45 -0.01 4.92 0.52 -0.10 -4.58 118.94 123.37 1n9m s TRP 21 Ca 0.03 -0.30 0.02 0.00 0.02 0.00 0.00 56.10 55.87 1n9m s TRP 21 Cb -0.14 -1.21 0.00 0.00 -1.15 0.00 0.00 33.47 30.96 1n9m s TRP 21 CO -0.00 0.50 -0.05 0.71 0.02 0.00 0.00 176.95 178.12 1n9m s TYR 22 N -1.65 0.52 0.26 -1.98 2.02 -0.44 -0.83 117.35 115.25 1n9m s TYR 22 Ca 0.22 -0.10 0.02 0.00 -0.37 0.00 0.00 57.07 56.84 1n9m s TYR 22 Cb -0.08 -0.36 0.02 0.00 -0.40 0.00 0.00 41.96 41.13 1n9m s TYR 22 CO 0.12 -0.03 0.13 0.27 -1.57 0.00 0.00 175.55 174.47 1n9m n ASN 23 N 3.11 2.15 0.00 2.29 0.23 -1.21 -1.68 115.26 120.16 1n9m n ASN 23 Ca -0.15 -1.99 0.15 0.00 -0.53 0.00 0.00 54.58 52.07 1n9m n ASN 23 Cb 0.57 0.05 0.83 0.00 -2.08 0.00 0.00 39.78 39.15 1n9m n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n9m n GLN 24 N -0.96 0.65 -0.32 -3.83 0.00 -1.25 -2.68 117.38 108.99 1n9m n GLN 24 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 57.00 57.03 1n9m n GLN 24 Cb 0.31 -1.50 0.23 0.00 0.00 0.00 0.00 30.24 29.28 1n9m n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1n9m n LEU 25 N -1.18 3.53 -0.49 2.61 4.77 -1.26 -4.98 117.00 120.01 1n9m n LEU 25 Ca 0.18 -2.22 -0.06 0.00 -0.03 0.00 0.00 56.01 53.88 1n9m n LEU 25 Cb 0.19 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 1n9m n LEU 25 CO 0.21 0.78 -0.06 0.61 -1.33 0.00 0.00 177.39 177.60 1n9m n GLY 26 N 0.66 0.85 3.82 -0.72 0.00 -1.09 -4.39 105.19 104.31 1n9m n GLY 26 Ca 0.17 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 1n9m n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9m s ALA 27 N -2.24 2.82 -0.23 4.61 0.00 -1.26 -4.48 121.76 120.98 1n9m s ALA 27 Ca 0.00 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.24 1n9m s ALA 27 Cb 0.00 -3.19 0.04 0.00 0.00 0.00 0.00 23.12 19.97 1n9m s ALA 27 CO 0.00 -0.75 -0.12 0.99 0.00 0.00 0.00 175.76 175.88 1n9m s THR 28 N -2.63 2.37 -0.30 0.00 2.01 -0.77 -3.30 115.64 113.02 1n9m s THR 28 Ca 0.61 -1.23 -0.00 0.00 0.31 0.00 0.00 61.69 61.38 1n9m s THR 28 Cb -0.14 -2.22 0.06 0.00 0.01 0.00 0.00 72.50 70.21 1n9m s THR 28 CO 0.40 0.21 -0.01 0.12 -0.69 0.00 0.00 174.62 174.65 1n9m s PHE 29 N 1.23 3.33 -0.32 4.92 5.36 -0.01 -2.21 117.98 130.28 1n9m s PHE 29 Ca -0.02 -2.11 -0.11 0.00 -0.96 0.00 0.00 56.93 53.73 1n9m s PHE 29 Cb -0.17 -2.21 -0.01 0.00 -0.34 0.00 0.00 43.02 40.29 1n9m s PHE 29 CO -0.07 -0.85 0.18 0.42 -1.46 0.00 0.00 175.22 173.44 1n9m s ILE 30 N 1.18 4.82 0.03 3.12 1.01 -0.50 -0.92 121.20 129.94 1n9m s ILE 30 Ca -0.04 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1n9m s ILE 30 Cb -0.20 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1n9m s ILE 30 CO -0.03 0.04 -0.04 0.54 0.00 0.00 0.00 174.94 175.45 1n9m s VAL 31 N 1.65 0.21 -0.11 2.92 0.11 -0.80 -1.33 120.40 123.05 1n9m s VAL 31 Ca 0.05 -1.16 0.02 0.00 -2.93 0.00 0.00 61.98 57.96 1n9m s VAL 31 Cb -0.17 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1n9m s VAL 31 CO 0.08 -0.61 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.18 1n9m s THR 32 N -2.06 1.63 -0.31 5.04 2.01 0.13 -2.13 115.64 119.94 1n9m s THR 32 Ca -0.09 -0.73 -0.13 0.00 0.31 0.00 0.00 61.69 61.05 1n9m s THR 32 Cb -0.06 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 1n9m s THR 32 CO -0.03 0.47 0.26 0.00 -0.69 0.00 0.00 174.62 174.62 1n9m s ALA 33 N 0.81 3.52 0.68 7.40 0.00 -1.26 -1.99 121.76 130.91 1n9m s ALA 33 Ca -0.10 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.56 1n9m s ALA 33 Cb -0.16 -2.63 -0.00 0.00 0.00 0.00 0.00 23.12 20.33 1n9m s ALA 33 CO 0.01 -0.81 1.06 0.20 0.00 0.00 0.00 175.76 176.22 1n9m s GLY 34 N 1.73 1.65 0.17 0.00 0.00 0.76 -4.84 107.32 106.79 1n9m s GLY 34 Ca 0.08 -0.08 0.23 0.00 0.00 0.00 0.00 44.72 44.95 1n9m s GLY 34 CO 0.11 0.23 1.69 0.00 0.00 0.00 0.00 173.10 175.13 1n9m n ALA 35 N -2.99 1.86 0.53 3.20 0.00 -1.26 -2.60 120.51 119.24 1n9m n ALA 35 Ca 0.07 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.61 1n9m n ALA 35 Cb 0.55 -1.38 0.24 0.00 0.00 0.00 0.00 19.45 18.86 1n9m n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1n9m n ASP 36 N -2.01 2.59 0.00 0.00 5.75 -1.26 -4.93 116.55 116.70 1n9m n ASP 36 Ca 0.04 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 1n9m n ASP 36 Cb 0.27 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1n9m n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n9m n GLY 37 N 1.29 0.73 3.79 6.12 0.00 -1.07 -5.05 105.19 111.00 1n9m n GLY 37 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1n9m n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9m s ALA 38 N -2.46 3.39 -0.15 4.61 0.00 -1.26 -1.75 121.76 124.14 1n9m s ALA 38 Ca 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 51.96 52.25 1n9m s ALA 38 Cb 0.00 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 1n9m s ALA 38 CO 0.00 0.28 0.00 -0.51 0.00 0.00 0.00 175.76 175.53 1n9m s LEU 39 N -1.58 3.49 0.04 0.00 1.43 -0.63 -0.17 118.68 121.25 1n9m s LEU 39 Ca 0.41 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 1n9m s LEU 39 Cb -0.20 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1n9m s LEU 39 CO 0.24 0.20 -0.07 0.42 0.23 0.00 0.00 176.35 177.38 1n9m s THR 40 N 0.17 0.48 -5.00 5.49 -4.23 -0.84 -1.96 115.64 109.75 1n9m s THR 40 Ca 0.01 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 1n9m s THR 40 Cb -0.13 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.15 1n9m s THR 40 CO 0.02 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 1n9m n GLY 41 N 1.50 -0.48 3.05 3.99 0.00 -1.20 -0.70 105.19 111.36 1n9m n GLY 41 Ca -0.23 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 1n9m n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n9m s THR 42 N -3.96 0.36 -0.05 2.61 -4.23 -0.44 -2.20 115.64 107.74 1n9m s THR 42 Ca 0.00 -1.22 0.04 0.00 -1.18 0.00 0.00 61.69 59.33 1n9m s THR 42 Cb 0.00 -0.73 -0.00 0.00 1.34 0.00 0.00 72.50 73.11 1n9m s THR 42 CO 0.00 -0.56 -0.16 -0.47 -0.54 0.00 0.00 174.62 172.88 1n9m s TYR 43 N -2.01 1.68 -0.16 3.99 6.14 -0.16 -1.41 117.35 125.41 1n9m s TYR 43 Ca -0.07 -0.50 0.01 0.00 0.64 0.00 0.00 57.07 57.14 1n9m s TYR 43 Cb -0.06 -1.14 0.03 0.00 0.42 0.00 0.00 41.96 41.21 1n9m s TYR 43 CO -0.02 -0.18 -0.14 -2.00 0.64 0.00 0.00 175.55 173.85 1n9m s GLU 44 N 0.12 2.30 -0.01 4.97 2.12 -0.94 -0.68 118.70 126.58 1n9m s GLU 44 Ca -0.05 -0.65 -0.10 0.00 0.36 0.00 0.00 54.97 54.52 1n9m s GLU 44 Cb -0.12 -2.22 -0.05 0.00 0.26 0.00 0.00 34.13 31.99 1n9m s GLU 44 CO 0.02 -0.28 0.32 0.45 -0.54 0.00 0.00 175.26 175.23 1n9m s SER 45 N 1.45 6.62 0.00 -1.70 0.15 -1.26 -1.86 113.70 117.10 1n9m s SER 45 Ca 0.03 0.74 0.23 0.00 0.70 0.00 0.00 55.95 57.65 1n9m s SER 45 Cb -0.14 -2.16 0.15 0.00 -1.71 0.00 0.00 66.02 62.16 1n9m s SER 45 CO -0.10 0.30 1.17 0.00 1.20 0.00 0.00 173.24 175.81 1n9m n ALA 46 N 1.54 4.04 -2.35 5.45 0.00 -1.26 -4.75 120.51 123.18 1n9m n ALA 46 Ca -0.14 -0.50 -0.19 0.00 0.00 0.00 0.00 53.44 52.62 1n9m n ALA 46 Cb 0.53 -0.93 -0.10 0.00 0.00 0.00 0.00 19.45 18.95 1n9m n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1n9m s VAL 47 N -2.89 1.72 0.00 0.00 -7.23 -1.26 -5.08 120.40 105.65 1n9m s VAL 47 Ca 0.12 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 1n9m s VAL 47 Cb 0.17 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 35.02 1n9m s VAL 47 CO 0.74 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 1n9m n GLY 48 N -0.40 -2.38 3.22 2.32 0.00 -1.26 -4.53 105.19 102.16 1n9m n GLY 48 Ca -0.08 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 1n9m n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1n9m n ASN 49 N 0.11 4.67 -3.68 1.61 5.15 -1.26 -4.87 115.26 116.99 1n9m n ASN 49 Ca 0.00 -2.93 -0.14 0.00 -0.60 0.00 0.00 54.58 50.92 1n9m n ASN 49 Cb 0.00 -1.67 -0.09 0.00 -0.53 0.00 0.00 39.78 37.50 1n9m n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1n9m s ALA 50 N 3.08 -1.39 -0.02 5.20 0.00 -1.26 -4.61 121.76 122.77 1n9m s ALA 50 Ca 0.49 1.57 0.00 0.00 0.00 0.00 0.00 51.96 54.01 1n9m s ALA 50 Cb 0.07 -0.90 0.02 0.00 0.00 0.00 0.00 23.12 22.31 1n9m s ALA 50 CO 0.01 -0.27 0.02 -2.00 0.00 0.00 0.00 175.76 173.53 1n9m s GLU 51 N 0.26 -0.03 3.31 0.00 2.12 -1.26 -4.88 118.70 118.21 1n9m s GLU 51 Ca -0.00 0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.48 1n9m s GLU 51 Cb -0.04 -0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.15 1n9m s GLU 51 CO 0.01 -0.14 0.00 0.45 -0.54 0.00 0.00 175.26 175.04 1n9m n SER 52 N 3.97 -1.20 -4.91 -1.70 2.88 -1.26 -4.87 113.62 106.54 1n9m n SER 52 Ca -0.25 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 56.97 1n9m n SER 52 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 1n9m n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1n9m s ARG 53 N 0.00 3.50 0.04 -1.46 0.52 -1.26 -4.42 118.95 115.87 1n9m s ARG 53 Ca 0.00 -0.30 0.08 0.00 -0.52 0.00 0.00 55.73 54.99 1n9m s ARG 53 Cb 0.00 -3.01 -0.03 0.00 0.52 0.00 0.00 34.95 32.44 1n9m s ARG 53 CO 0.00 0.59 -0.23 0.71 0.02 0.00 0.00 175.30 176.39 1n9m s TYR 54 N -1.49 2.00 0.32 -0.53 2.02 0.14 -4.91 117.35 114.91 1n9m s TYR 54 Ca 0.34 -0.39 -0.29 0.00 -0.37 0.00 0.00 57.07 56.37 1n9m s TYR 54 Cb -0.13 -1.21 -0.10 0.00 -0.40 0.00 0.00 41.96 40.12 1n9m s TYR 54 CO 0.25 0.09 1.27 0.08 -1.57 0.00 0.00 175.55 175.66 1n9m s VAL 55 N -0.77 2.87 0.17 0.71 1.01 -1.26 -0.99 120.40 122.14 1n9m s VAL 55 Ca 0.09 0.88 0.09 0.00 0.00 0.00 0.00 61.98 63.03 1n9m s VAL 55 Cb -0.09 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1n9m s VAL 55 CO 0.02 0.21 -0.18 -1.48 0.00 0.00 0.00 175.10 173.66 1n9m s LEU 56 N -1.72 2.45 0.04 3.92 0.05 -0.93 -4.44 118.68 118.05 1n9m s LEU 56 Ca 0.48 -0.88 -0.05 0.00 0.05 0.00 0.00 54.13 53.73 1n9m s LEU 56 Cb -0.38 -0.83 -0.01 0.00 -2.05 0.00 0.00 46.19 42.91 1n9m s LEU 56 CO 0.51 -0.04 0.08 0.28 -0.55 0.00 0.00 176.35 176.63 1n9m s THR 57 N -2.13 0.15 0.00 5.48 -1.32 -1.15 -3.21 115.64 113.46 1n9m s THR 57 Ca 0.17 -1.20 0.00 0.00 -1.21 0.00 0.00 61.69 59.45 1n9m s THR 57 Cb -0.05 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 1n9m s THR 57 CO 0.07 -0.66 0.00 0.61 -2.21 0.00 0.00 174.62 172.43 1n9m n GLY 58 N 0.63 1.16 3.10 6.08 0.00 -0.83 -1.65 105.19 113.68 1n9m n GLY 58 Ca -0.18 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 1n9m n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n9m s ARG 59 N -0.70 0.53 0.08 1.61 1.81 -0.94 -1.61 118.95 119.73 1n9m s ARG 59 Ca 0.00 -0.63 -0.03 0.00 -1.72 0.00 0.00 55.73 53.36 1n9m s ARG 59 Cb 0.00 0.21 -0.03 0.00 -0.45 0.00 0.00 34.95 34.68 1n9m s ARG 59 CO 0.00 -0.13 0.03 1.52 -0.68 0.00 0.00 175.30 176.05 1n9m s TYR 60 N -2.12 0.52 -0.28 -0.53 1.13 -0.72 -1.87 117.35 113.48 1n9m s TYR 60 Ca -0.09 -1.01 -0.29 0.00 -1.41 0.00 0.00 57.07 54.27 1n9m s TYR 60 Cb -0.04 -0.34 -0.00 0.00 -1.10 0.00 0.00 41.96 40.48 1n9m s TYR 60 CO -0.02 -0.45 1.34 0.34 -2.51 0.00 0.00 175.55 174.26 1n9m s ASP 61 N -2.94 6.65 0.00 -0.18 2.15 -0.43 -4.71 116.67 117.21 1n9m s ASP 61 Ca 0.10 1.30 0.22 0.00 0.43 0.00 0.00 52.55 54.60 1n9m s ASP 61 Cb 0.07 -2.54 0.59 0.00 -0.30 0.00 0.00 42.92 40.75 1n9m s ASP 61 CO -0.08 -1.08 1.48 -1.54 -0.17 0.00 0.00 175.17 173.78 1n9m n SER 62 N 7.67 2.45 -3.20 -0.34 3.41 -1.26 -4.25 113.62 118.09 1n9m n SER 62 Ca 0.15 -1.83 -0.23 0.00 -0.26 0.00 0.00 58.87 56.70 1n9m n SER 62 Cb 0.46 -0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 64.20 1n9m n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n9m n ALA 63 N 0.84 2.14 -1.00 7.33 0.00 -1.26 -5.09 120.51 123.47 1n9m n ALA 63 Ca 0.17 -3.10 -0.31 0.00 0.00 0.00 0.00 53.44 50.21 1n9m n ALA 63 Cb 0.46 -0.85 0.13 0.00 0.00 0.00 0.00 19.45 19.19 1n9m n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n9m s PRO 64 N -0.64 1.51 0.62 0.00 0.04 -1.26 -5.00 135.00 130.28 1n9m s PRO 64 Ca 0.34 1.26 -0.18 0.00 0.04 0.00 0.00 61.00 62.46 1n9m s PRO 64 Cb 0.13 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.85 1n9m s PRO 64 CO -0.14 -2.19 1.27 0.00 0.04 0.00 0.00 177.00 175.97 1n9m s ALA 65 N -2.79 2.45 -0.39 8.56 0.00 -1.26 -4.94 121.76 123.39 1n9m s ALA 65 Ca 0.64 1.15 0.06 0.00 0.00 0.00 0.00 51.96 53.81 1n9m s ALA 65 Cb -0.20 -3.52 0.69 0.00 0.00 0.00 0.00 23.12 20.09 1n9m s ALA 65 CO 0.57 -1.43 1.85 0.25 0.00 0.00 0.00 175.76 177.00 1n9m n THR 66 N -1.76 3.03 -0.55 0.00 -2.24 -1.26 -4.45 114.28 107.05 1n9m n THR 66 Ca 0.15 -1.74 0.10 0.00 -2.27 0.00 0.00 64.05 60.29 1n9m n THR 66 Cb 0.49 -0.44 0.34 0.00 -2.10 0.00 0.00 70.33 68.62 1n9m n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1n9m n ASP 67 N -0.68 4.48 0.00 3.42 5.68 -1.26 -4.89 116.55 123.30 1n9m n ASP 67 Ca 0.51 -2.32 0.00 0.00 -0.50 0.00 0.00 54.79 52.48 1n9m n ASP 67 Cb 1.53 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 40.97 1n9m n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n9m n GLY 68 N 1.23 0.70 3.83 6.12 0.00 -1.26 -5.09 105.19 110.73 1n9m n GLY 68 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 1n9m n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n9m s SER 69 N -2.60 6.18 1.00 1.61 0.01 -1.26 -5.06 113.70 113.58 1n9m s SER 69 Ca 0.00 1.61 -0.14 0.00 1.31 0.00 0.00 55.95 58.73 1n9m s SER 69 Cb 0.00 -2.51 0.19 0.00 0.21 0.00 0.00 66.02 63.91 1n9m s SER 69 CO 0.00 -0.90 1.14 -0.83 0.41 0.00 0.00 173.24 173.06 1n9m s GLY 70 N -3.30 1.59 -0.33 3.44 0.00 -1.26 -4.85 107.32 102.61 1n9m s GLY 70 Ca 0.59 -0.64 -0.12 0.00 0.00 0.00 0.00 44.72 44.55 1n9m s GLY 70 CO 0.40 0.02 0.22 -1.59 0.00 0.00 0.00 173.10 172.16 1n9m s THR 71 N -3.20 5.24 0.33 0.90 2.01 -0.52 -4.80 115.64 115.59 1n9m s THR 71 Ca 0.67 -0.16 -0.29 0.00 0.31 0.00 0.00 61.69 62.22 1n9m s THR 71 Cb -0.14 -3.65 -0.10 0.00 0.01 0.00 0.00 72.50 68.62 1n9m s THR 71 CO 0.55 0.05 1.30 0.00 -0.69 0.00 0.00 174.62 175.83 1n9m s ALA 72 N 1.72 3.50 0.19 7.40 0.00 -1.26 -1.46 121.76 131.85 1n9m s ALA 72 Ca 0.06 1.25 -0.17 0.00 0.00 0.00 0.00 51.96 53.09 1n9m s ALA 72 Cb -0.17 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.50 1n9m s ALA 72 CO 0.10 -0.62 0.51 -0.48 0.00 0.00 0.00 175.76 175.27 1n9m s LEU 73 N -1.73 0.09 0.08 0.00 2.34 -0.85 -1.32 118.68 117.29 1n9m s LEU 73 Ca 0.49 -0.45 -0.23 0.00 0.06 0.00 0.00 54.13 54.00 1n9m s LEU 73 Cb -0.39 2.12 0.06 0.00 -0.56 0.00 0.00 46.19 47.42 1n9m s LEU 73 CO 0.52 -1.03 0.56 -0.83 -1.06 0.00 0.00 176.35 174.51 1n9m s GLY 74 N -2.86 -0.50 0.19 -3.48 0.00 -0.78 -1.76 107.32 98.12 1n9m s GLY 74 Ca 0.08 0.58 -0.13 0.00 0.00 0.00 0.00 44.72 45.25 1n9m s GLY 74 CO -0.04 0.27 0.41 0.66 0.00 0.00 0.00 173.10 174.40 1n9m s TRP 75 N -2.90 0.17 -0.02 1.90 -2.14 -0.86 -2.21 118.94 112.88 1n9m s TRP 75 Ca -0.03 -0.52 0.05 0.00 2.66 0.00 0.00 56.10 58.26 1n9m s TRP 75 Cb -0.00 0.17 -0.01 0.00 -3.10 0.00 0.00 33.47 30.53 1n9m s TRP 75 CO -0.05 -0.84 -0.16 0.99 -2.66 0.00 0.00 176.95 174.23 1n9m s THR 76 N -3.93 1.25 -0.14 0.66 2.01 -0.66 -1.63 115.64 113.20 1n9m s THR 76 Ca 0.14 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.50 1n9m s THR 76 Cb 0.01 -1.05 0.01 0.00 0.01 0.00 0.00 72.50 71.48 1n9m s THR 76 CO -0.00 0.36 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.39 1n9m s VAL 77 N -0.28 2.23 -0.17 3.82 1.01 -0.62 -2.94 120.40 123.46 1n9m s VAL 77 Ca 0.04 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 60.92 1n9m s VAL 77 Cb -0.07 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1n9m s VAL 77 CO -0.00 0.54 0.46 0.00 0.00 0.00 0.00 175.10 176.10 1n9m s ALA 78 N 0.78 3.52 -1.05 5.51 0.00 -1.26 -1.60 121.76 127.66 1n9m s ALA 78 Ca -0.07 -0.36 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 1n9m s ALA 78 Cb -0.16 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 1n9m s ALA 78 CO -0.01 -0.21 2.90 0.91 0.00 0.00 0.00 175.76 179.35 1n9m n TRP 79 N 4.23 1.88 -4.87 0.00 7.02 -0.47 -4.80 117.44 120.44 1n9m n TRP 79 Ca -0.07 -2.54 -0.28 0.00 -1.02 0.00 0.00 57.50 53.59 1n9m n TRP 79 Cb 0.51 -1.97 -0.17 0.00 -2.42 0.00 0.00 31.31 27.27 1n9m n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1n9m s LYS 80 N 0.40 2.18 0.00 -0.99 2.20 -1.26 -2.62 119.74 119.65 1n9m s LYS 80 Ca 0.63 -0.62 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 1n9m s LYS 80 Cb 0.24 -1.75 0.00 0.00 -1.51 0.00 0.00 37.83 34.81 1n9m s LYS 80 CO -0.08 0.14 0.00 0.27 -0.36 0.00 0.00 175.35 175.32 1n9m n ASN 81 N 3.53 0.00 0.00 1.43 0.23 -0.97 -4.82 115.26 114.66 1n9m n ASN 81 Ca -0.20 -0.30 0.14 0.00 -0.53 0.00 0.00 54.58 53.69 1n9m n ASN 81 Cb 0.52 0.00 0.66 0.00 -2.08 0.00 0.00 39.78 38.89 1n9m n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1n9m n ASN 82 N -0.64 0.00 -0.04 0.53 5.03 -1.26 -3.79 115.26 115.09 1n9m n ASN 82 Ca 0.00 0.29 -0.17 0.00 0.87 0.00 0.00 54.58 55.58 1n9m n ASN 82 Cb 0.00 -0.43 -0.14 0.00 -1.02 0.00 0.00 39.78 38.19 1n9m n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1n9m n TYR 83 N -1.43 0.78 -3.75 3.10 4.01 -1.26 -5.07 117.16 113.54 1n9m n TYR 83 Ca 0.09 0.20 -0.03 0.00 -0.16 0.00 0.00 57.90 58.00 1n9m n TYR 83 Cb 0.31 -1.11 -0.01 0.00 -0.31 0.00 0.00 39.34 38.21 1n9m n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1n9m s ARG 84 N -2.55 1.16 -0.15 -0.72 1.70 -1.25 -5.09 118.95 112.05 1n9m s ARG 84 Ca -0.20 -0.64 -0.04 0.00 -0.47 0.00 0.00 55.73 54.38 1n9m s ARG 84 Cb 0.07 0.40 0.07 0.00 -0.57 0.00 0.00 34.95 34.92 1n9m s ARG 84 CO 0.75 -0.53 0.18 1.21 -1.08 0.00 0.00 175.30 175.83 1n9m s ASN 85 N -2.94 1.30 0.00 -2.89 3.84 -1.26 -2.29 114.94 110.70 1n9m s ASN 85 Ca 0.12 -0.08 0.28 0.00 0.21 0.00 0.00 52.86 53.39 1n9m s ASN 85 Cb -0.01 0.24 0.97 0.00 -0.55 0.00 0.00 41.25 41.91 1n9m s ASN 85 CO 0.02 -0.30 1.70 0.00 -2.79 0.00 0.00 177.10 175.73 1n9m n ALA 86 N 5.32 2.71 -3.67 1.71 0.00 -1.08 -4.98 120.51 120.51 1n9m n ALA 86 Ca -0.05 -0.43 -0.31 0.00 0.00 0.00 0.00 53.44 52.64 1n9m n ALA 86 Cb 0.50 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 18.83 1n9m n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1n9m n HIS 87 N -0.05 -1.92 -3.81 0.00 -0.00 -1.26 -4.86 115.22 103.32 1n9m n HIS 87 Ca 0.17 0.46 -0.08 0.00 -0.00 0.00 0.00 57.72 58.27 1n9m n HIS 87 Cb 0.35 -3.46 -0.02 0.00 -0.00 0.00 0.00 29.99 26.86 1n9m n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1n9m s SER 88 N -3.48 -0.28 -0.15 0.41 1.04 -1.26 -1.57 113.70 108.41 1n9m s SER 88 Ca 0.47 -0.56 -0.18 0.00 0.48 0.00 0.00 55.95 56.16 1n9m s SER 88 Cb -0.17 0.69 0.05 0.00 0.10 0.00 0.00 66.02 66.69 1n9m s SER 88 CO 0.86 -1.26 0.49 0.00 0.98 0.00 0.00 173.24 174.30 1n9m s ALA 89 N -3.91 -1.22 -0.04 5.32 0.00 -0.81 -1.37 121.76 119.73 1n9m s ALA 89 Ca 0.11 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.33 1n9m s ALA 89 Cb -0.05 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1n9m s ALA 89 CO 0.04 -0.25 -0.14 0.99 0.00 0.00 0.00 175.76 176.40 1n9m s THR 90 N -0.14 3.10 -0.08 0.00 2.01 -0.63 -1.54 115.64 118.37 1n9m s THR 90 Ca -0.03 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.27 1n9m s THR 90 Cb -0.03 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 1n9m s THR 90 CO 0.02 0.57 -0.21 0.42 -0.69 0.00 0.00 174.62 174.73 1n9m s THR 91 N -0.76 2.41 -0.16 -0.82 -4.23 -0.76 -1.59 115.64 109.73 1n9m s THR 91 Ca 0.12 -0.93 -0.04 0.00 -1.18 0.00 0.00 61.69 59.66 1n9m s THR 91 Cb -0.11 -1.92 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 1n9m s THR 91 CO 0.01 0.56 -0.01 0.26 -0.54 0.00 0.00 174.62 174.90 1n9m s TRP 92 N -0.10 3.08 -0.10 3.99 0.51 -0.64 -1.68 118.94 124.00 1n9m s TRP 92 Ca -0.04 -0.20 0.03 0.00 -2.12 0.00 0.00 56.10 53.77 1n9m s TRP 92 Cb -0.14 -1.98 0.01 0.00 -0.81 0.00 0.00 33.47 30.55 1n9m s TRP 92 CO 0.04 0.02 -0.20 0.45 -0.51 0.00 0.00 176.95 176.75 1n9m s SER 93 N 0.32 2.71 0.00 2.95 0.15 -0.35 -2.02 113.70 117.46 1n9m s SER 93 Ca -0.02 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1n9m s SER 93 Cb -0.14 -1.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 1n9m s SER 93 CO 0.02 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1n9m n GLY 94 N 3.74 1.04 3.18 9.45 0.00 -0.72 -1.49 105.19 120.38 1n9m n GLY 94 Ca -0.20 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 1n9m n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n9m s GLN 95 N 1.55 0.50 -0.15 1.61 -2.07 -0.83 -2.00 119.66 118.28 1n9m s GLN 95 Ca 0.00 -0.07 -0.17 0.00 -1.82 0.00 0.00 55.36 53.30 1n9m s GLN 95 Cb 0.00 0.22 -0.04 0.00 -1.09 0.00 0.00 33.01 32.10 1n9m s GLN 95 CO 0.00 -0.12 0.42 -0.47 -1.32 0.00 0.00 175.29 173.80 1n9m s TYR 96 N -0.88 3.47 -0.23 9.60 5.04 -0.53 -1.62 117.35 132.21 1n9m s TYR 96 Ca -0.10 0.76 0.02 0.00 -2.44 0.00 0.00 57.07 55.32 1n9m s TYR 96 Cb -0.05 -2.49 0.05 0.00 0.35 0.00 0.00 41.96 39.81 1n9m s TYR 96 CO 0.02 0.15 -0.13 0.08 -1.34 0.00 0.00 175.55 174.33 1n9m s VAL 97 N 0.73 2.01 0.88 3.14 1.01 0.22 -1.44 120.40 126.94 1n9m s VAL 97 Ca 0.22 -1.33 -0.15 0.00 0.00 0.00 0.00 61.98 60.72 1n9m s VAL 97 Cb -0.14 -2.05 0.21 0.00 0.00 0.00 0.00 36.38 34.40 1n9m s VAL 97 CO 0.08 0.14 1.06 0.61 0.00 0.00 0.00 175.10 176.99 1n9m n GLY 98 N 4.54 -1.81 0.00 4.51 0.00 -1.26 -1.27 105.19 109.90 1n9m n GLY 98 Ca -0.16 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1n9m n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n9m n GLY 99 N -2.65 -0.36 0.27 -0.02 0.00 -1.26 -4.51 105.19 96.66 1n9m n GLY 99 Ca 0.14 -2.24 0.03 0.00 0.00 0.00 0.00 46.02 43.94 1n9m n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9m h ALA 100 N 0.00 1.60 -2.22 4.61 0.00 -2.07 -2.89 119.26 118.28 1n9m h ALA 100 Ca 0.00 -0.12 -0.59 0.00 0.00 0.00 0.00 54.91 54.19 1n9m h ALA 100 Cb 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 17.79 17.26 1n9m h ALA 100 CO 0.00 0.31 -0.64 -1.91 0.00 0.00 0.00 179.25 177.01 1n9m n GLU 101 N -4.37 2.76 -1.71 0.00 0.00 -1.26 -5.08 120.64 110.98 1n9m n GLU 101 Ca 0.01 -4.69 -0.38 0.00 0.00 0.00 0.00 57.16 52.09 1n9m n GLU 101 Cb 0.18 -2.21 0.05 0.00 0.00 0.00 0.00 31.44 29.46 1n9m n GLU 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1n9m n ALA 102 N 0.38 1.14 -2.35 4.31 0.00 -1.10 -4.97 120.51 117.93 1n9m n ALA 102 Ca 0.30 0.07 -0.08 0.00 0.00 0.00 0.00 53.44 53.73 1n9m n ALA 102 Cb 0.41 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.47 1n9m n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1n9m s ARG 103 N -2.98 0.62 -0.21 0.00 1.81 -0.39 -4.56 118.95 113.23 1n9m s ARG 103 Ca 0.76 -1.05 0.01 0.00 -1.72 0.00 0.00 55.73 53.72 1n9m s ARG 103 Cb -0.41 0.23 0.03 0.00 -0.45 0.00 0.00 34.95 34.34 1n9m s ARG 103 CO 0.46 -0.14 -0.15 0.42 -0.68 0.00 0.00 175.30 175.22 1n9m s ILE 104 N -3.48 2.32 -0.25 1.52 1.01 -0.79 -0.61 121.20 120.92 1n9m s ILE 104 Ca 0.03 -1.07 -0.07 0.00 0.00 0.00 0.00 60.65 59.53 1n9m s ILE 104 Cb 0.04 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 1n9m s ILE 104 CO -0.08 0.35 0.08 0.20 0.00 0.00 0.00 174.94 175.48 1n9m s ASN 105 N 1.27 5.21 0.13 3.58 0.01 -0.64 -1.19 114.94 123.31 1n9m s ASN 105 Ca 0.01 -0.18 0.02 0.00 -0.71 0.00 0.00 52.86 52.01 1n9m s ASN 105 Cb -0.15 -1.94 -0.04 0.00 0.41 0.00 0.00 41.25 39.53 1n9m s ASN 105 CO -0.09 -0.02 -0.05 0.42 -1.51 0.00 0.00 177.10 175.85 1n9m s THR 106 N 1.53 0.73 0.12 1.60 -4.23 -0.70 -1.96 115.64 112.73 1n9m s THR 106 Ca 0.06 -1.96 0.09 0.00 -1.18 0.00 0.00 61.69 58.70 1n9m s THR 106 Cb -0.15 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.80 1n9m s THR 106 CO 0.04 -0.72 -0.24 -1.10 -0.54 0.00 0.00 174.62 172.06 1n9m s GLN 107 N -3.85 1.25 0.11 3.99 -0.21 -0.56 -2.67 119.66 117.71 1n9m s GLN 107 Ca 0.16 -1.26 0.03 0.00 0.02 0.00 0.00 55.36 54.32 1n9m s GLN 107 Cb 0.05 -1.62 -0.04 0.00 1.00 0.00 0.00 33.01 32.40 1n9m s GLN 107 CO -0.01 0.38 -0.09 1.67 -2.12 0.00 0.00 175.29 175.11 1n9m s TRP 108 N -1.14 1.05 -0.14 0.91 1.48 -0.15 -1.21 118.94 119.74 1n9m s TRP 108 Ca 0.10 -0.73 0.01 0.00 -1.06 0.00 0.00 56.10 54.42 1n9m s TRP 108 Cb -0.10 -0.57 0.02 0.00 -1.16 0.00 0.00 33.47 31.66 1n9m s TRP 108 CO 0.05 -0.02 -0.15 -0.51 -4.06 0.00 0.00 176.95 172.26 1n9m s LEU 109 N -2.70 1.72 -0.37 -4.66 1.43 -0.68 -2.49 118.68 110.94 1n9m s LEU 109 Ca 0.09 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1n9m s LEU 109 Cb -0.00 -1.17 0.07 0.00 0.03 0.00 0.00 46.19 45.12 1n9m s LEU 109 CO -0.01 -0.03 0.15 -0.22 0.23 0.00 0.00 176.35 176.48 1n9m s LEU 110 N 1.31 4.72 -0.22 1.79 2.96 -0.32 -1.83 118.68 127.09 1n9m s LEU 110 Ca 0.01 -1.51 -0.09 0.00 -0.22 0.00 0.00 54.13 52.32 1n9m s LEU 110 Cb -0.14 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.65 1n9m s LEU 110 CO -0.08 -0.43 0.12 -0.89 -1.32 0.00 0.00 176.35 173.75 1n9m s THR 111 N 1.31 5.15 -0.07 3.68 2.01 -0.59 -1.32 115.64 125.82 1n9m s THR 111 Ca 0.02 0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.08 1n9m s THR 111 Cb -0.21 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1n9m s THR 111 CO -0.00 0.39 0.12 -0.44 -0.69 0.00 0.00 174.62 174.00 1n9m s SER 112 N 0.79 6.09 0.15 3.53 0.01 0.13 -1.93 113.70 122.47 1n9m s SER 112 Ca 0.06 0.34 -0.31 0.00 1.31 0.00 0.00 55.95 57.35 1n9m s SER 112 Cb -0.13 -1.89 -0.10 0.00 0.21 0.00 0.00 66.02 64.11 1n9m s SER 112 CO 0.02 0.35 1.65 -0.83 0.41 0.00 0.00 173.24 174.84 1n9m s GLY 113 N -1.35 1.46 0.16 3.44 0.00 -0.61 -4.81 107.32 105.61 1n9m s GLY 113 Ca 0.19 1.40 0.01 0.00 0.00 0.00 0.00 44.72 46.32 1n9m s GLY 113 CO 0.09 2.79 0.02 -0.51 0.00 0.00 0.00 173.10 175.49 1n9m s THR 114 N 1.59 0.50 0.91 0.90 -4.23 -1.26 -5.03 115.64 109.02 1n9m s THR 114 Ca 0.73 -1.96 -0.12 0.00 -1.18 0.00 0.00 61.69 59.17 1n9m s THR 114 Cb -0.45 -2.11 0.14 0.00 1.34 0.00 0.00 72.50 71.43 1n9m s THR 114 CO 0.32 -0.46 1.09 0.42 -0.54 0.00 0.00 174.62 175.45 1n9m s THR 115 N -3.78 2.53 0.21 3.99 -4.23 -1.26 -4.87 115.64 108.23 1n9m s THR 115 Ca 0.24 0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.81 1n9m s THR 115 Cb 0.07 -2.68 0.19 0.00 1.34 0.00 0.00 72.50 71.41 1n9m s THR 115 CO 0.03 -0.22 1.67 1.05 -0.54 0.00 0.00 174.62 176.61 1n9m h GLU 116 N -1.60 0.11 0.00 3.99 -0.00 -2.01 -2.12 114.58 112.96 1n9m h GLU 116 Ca -0.50 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.36 58.83 1n9m h GLU 116 Cb 1.29 -0.03 -0.00 0.00 -0.00 0.00 0.00 28.75 30.02 1n9m h GLU 116 CO 0.56 0.08 -0.10 0.00 -0.00 0.00 0.00 179.01 179.55 1n9m h ALA 117 N 1.54 1.48 -0.61 1.06 0.00 -2.07 -2.62 119.26 118.04 1n9m h ALA 117 Ca 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1n9m h ALA 117 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1n9m h ALA 117 CO -0.51 0.12 0.00 0.09 0.00 0.00 0.00 179.25 178.95 1n9m n ASN 118 N -3.90 4.18 0.24 0.00 3.02 -0.83 -4.58 115.26 113.39 1n9m n ASN 118 Ca -0.02 -2.27 0.09 0.00 -0.03 0.00 0.00 54.58 52.35 1n9m n ASN 118 Cb 0.19 -0.50 0.62 0.00 -0.61 0.00 0.00 39.78 39.49 1n9m n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n9m h ALA 119 N 3.72 1.51 -0.01 5.41 0.00 -1.07 -2.20 119.26 126.63 1n9m h ALA 119 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1n9m h ALA 119 Cb 1.19 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1n9m h ALA 119 CO 0.12 0.19 0.01 0.11 0.00 0.00 0.00 179.25 179.67 1n9m h TRP 120 N 0.00 0.00 -0.52 0.00 5.08 -1.82 -2.37 115.95 116.32 1n9m h TRP 120 Ca -0.00 0.00 -0.26 0.00 1.08 0.00 0.00 58.89 59.71 1n9m h TRP 120 Cb 0.31 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 26.32 1n9m h TRP 120 CO 0.00 0.00 0.11 0.36 -1.28 0.00 0.00 178.44 177.63 1n9m n LYS 121 N -3.80 2.01 0.23 0.12 2.85 -0.83 -4.70 118.16 114.04 1n9m n LYS 121 Ca -0.03 -3.14 0.12 0.00 -1.05 0.00 0.00 58.31 54.22 1n9m n LYS 121 Cb 0.09 -1.92 0.28 0.00 -0.65 0.00 0.00 35.03 32.84 1n9m n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1n9m h SER 122 N 1.06 0.00 -3.20 -5.58 4.64 -1.50 -3.47 113.55 105.51 1n9m h SER 122 Ca 0.32 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.11 1n9m h SER 122 Cb 1.97 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.69 1n9m h SER 122 CO 0.57 0.04 -0.80 -0.89 -0.87 0.00 0.00 176.83 174.88 1n9m s THR 123 N -3.31 1.01 0.17 2.95 2.01 -1.26 -0.69 115.64 116.52 1n9m s THR 123 Ca 0.05 -0.31 -0.07 0.00 0.31 0.00 0.00 61.69 61.67 1n9m s THR 123 Cb 0.06 -1.05 -0.06 0.00 0.01 0.00 0.00 72.50 71.46 1n9m s THR 123 CO 0.65 0.33 0.43 -0.76 -0.69 0.00 0.00 174.62 174.58 1n9m s LEU 124 N 1.71 4.24 0.01 4.42 1.43 -0.43 -4.93 118.68 125.12 1n9m s LEU 124 Ca 0.04 0.71 0.04 0.00 -1.03 0.00 0.00 54.13 53.90 1n9m s LEU 124 Cb -0.13 -3.42 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 1n9m s LEU 124 CO -0.08 0.02 -0.14 0.54 0.23 0.00 0.00 176.35 176.92 1n9m s VAL 125 N -1.70 1.07 0.04 -1.59 0.11 -1.26 -1.17 120.40 115.89 1n9m s VAL 125 Ca 0.43 -0.75 -0.02 0.00 -2.93 0.00 0.00 61.98 58.70 1n9m s VAL 125 Cb -0.12 -0.93 0.01 0.00 -1.53 0.00 0.00 36.38 33.81 1n9m s VAL 125 CO 0.23 0.17 0.11 0.61 -3.33 0.00 0.00 175.10 172.89 1n9m n GLY 126 N 2.38 1.61 2.76 6.54 0.00 -1.04 -5.00 105.19 112.44 1n9m n GLY 126 Ca -0.16 -1.00 -0.16 0.00 0.00 0.00 0.00 46.02 44.70 1n9m n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1n9m s HIS 127 N -7.11 0.04 -0.04 1.61 -3.43 -1.26 -0.98 115.29 104.12 1n9m s HIS 127 Ca 0.02 0.14 0.07 0.00 -0.80 0.00 0.00 55.06 54.50 1n9m s HIS 127 Cb -0.01 -0.27 -0.02 0.00 -1.43 0.00 0.00 32.58 30.86 1n9m s HIS 127 CO 0.01 -0.10 -0.25 -0.51 -2.00 0.00 0.00 174.74 171.89 1n9m s ASP 128 N 1.21 3.01 -0.17 7.38 1.01 -1.09 -5.01 116.67 123.00 1n9m s ASP 128 Ca -0.07 -0.48 -0.01 0.00 0.71 0.00 0.00 52.55 52.70 1n9m s ASP 128 Cb -0.13 -0.56 -0.00 0.00 1.01 0.00 0.00 42.92 43.24 1n9m s ASP 128 CO -0.03 0.28 -0.13 -0.89 0.21 0.00 0.00 175.17 174.61 1n9m s THR 129 N -0.40 2.78 -0.03 -1.27 2.01 -1.26 -1.72 115.64 115.75 1n9m s THR 129 Ca 0.04 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1n9m s THR 129 Cb -0.12 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 1n9m s THR 129 CO 0.01 0.50 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.02 1n9m s PHE 130 N 1.04 2.93 0.15 4.92 0.40 -0.33 -3.82 117.98 123.27 1n9m s PHE 130 Ca -0.01 0.01 0.05 0.00 -0.60 0.00 0.00 56.93 56.38 1n9m s PHE 130 Cb -0.15 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.68 1n9m s PHE 130 CO -0.03 0.36 -0.11 -0.08 0.70 0.00 0.00 175.22 176.06 1n9m s THR 131 N -0.91 1.25 -1.65 0.64 -1.32 -0.67 -1.89 115.64 111.08 1n9m s THR 131 Ca 0.15 -2.01 0.26 0.00 -1.21 0.00 0.00 61.69 58.88 1n9m s THR 131 Cb -0.11 -1.80 0.20 0.00 -1.51 0.00 0.00 72.50 69.28 1n9m s THR 131 CO 0.05 -0.67 1.50 0.29 -2.21 0.00 0.00 174.62 173.58 1n9m n LYS 132 N -0.07 0.73 -3.04 7.08 5.02 -1.26 -1.32 118.16 125.30 1n9m n LYS 132 Ca -0.11 -0.45 -0.42 0.00 -2.02 0.00 0.00 58.31 55.31 1n9m n LYS 132 Cb 0.60 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.06 1n9m n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1n9m s VAL 133 N -2.58 4.82 0.00 -0.18 1.01 -1.26 -4.93 120.40 117.28 1n9m s VAL 133 Ca 0.22 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1n9m s VAL 133 Cb 0.19 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1n9m s VAL 133 CO 0.56 -0.35 0.00 2.29 0.00 0.00 0.00 175.10 177.59