#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9m s GLU 14 N 0.00 3.04 0.79 0.00 2.02 -1.26 -5.06 118.70 118.22 1n9m s GLU 14 Ca 0.00 -0.84 -0.12 0.00 0.02 0.00 0.00 54.97 54.03 1n9m s GLU 14 Cb 0.00 -2.97 0.07 0.00 0.10 0.00 0.00 34.13 31.33 1n9m s GLU 14 CO 0.00 -0.32 1.15 0.00 0.02 0.00 0.00 175.26 176.11 1n9m s ALA 15 N 1.38 2.63 0.00 5.21 0.00 -1.26 -4.77 121.76 124.95 1n9m s ALA 15 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1n9m s ALA 15 Cb -0.15 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 19.97 1n9m s ALA 15 CO -0.05 -1.58 0.00 0.41 0.00 0.00 0.00 175.76 174.54 1n9m n GLY 16 N -3.09 2.19 0.30 0.00 0.00 -1.26 -4.87 105.19 98.47 1n9m n GLY 16 Ca 0.08 -1.60 -0.02 0.00 0.00 0.00 0.00 46.02 44.47 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 1.22 -2.26 -0.61 2.04 -1.98 -3.43 117.51 112.48 1n9m h ILE 17 Ca 0.00 -0.76 -0.59 0.00 1.00 0.00 0.00 64.86 64.52 1n9m h ILE 17 Cb 0.00 0.64 0.06 0.00 -0.74 0.00 0.00 36.82 36.78 1n9m h ILE 17 CO 0.00 0.29 0.79 0.41 0.00 0.00 0.00 178.15 179.64 1n9m n THR 18 N -4.29 0.00 -2.72 -0.27 -1.04 -1.26 -4.85 114.28 99.85 1n9m n THR 18 Ca 0.04 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1n9m n THR 18 Cb 0.21 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 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 3.40 -0.46 3.41 3.41 0.00 -0.78 -5.00 105.19 109.16 1n9m n GLY 19 Ca 0.17 -1.42 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.77 3.68 0.07 2.61 2.01 -1.26 -2.21 115.64 117.78 1n9m s THR 20 Ca 0.00 -0.41 0.08 0.00 0.31 0.00 0.00 61.69 61.67 1n9m s THR 20 Cb 0.00 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 1n9m s THR 20 CO 0.00 0.45 -0.21 0.26 -0.69 0.00 0.00 174.62 174.43 1n9m s TRP 21 N 0.98 1.78 0.00 4.92 0.52 -0.13 -4.48 118.94 122.54 1n9m s TRP 21 Ca 0.01 -0.40 0.06 0.00 0.02 0.00 0.00 56.10 55.79 1n9m s TRP 21 Cb -0.15 -1.02 -0.02 0.00 -1.15 0.00 0.00 33.47 31.14 1n9m s TRP 21 CO 0.01 0.15 -0.20 0.71 0.02 0.00 0.00 176.95 177.65 1n9m s TYR 22 N -1.00 1.74 0.57 -1.98 1.51 -0.67 -1.18 117.35 116.34 1n9m s TYR 22 Ca 0.07 -0.34 0.07 0.00 -1.01 0.00 0.00 57.07 55.85 1n9m s TYR 22 Cb -0.09 -1.09 0.06 0.00 -0.11 0.00 0.00 41.96 40.72 1n9m s TYR 22 CO 0.03 0.01 0.53 0.54 -1.11 0.00 0.00 175.55 175.55 1n9m s ASN 23 N -0.69 4.73 0.00 2.29 2.20 -1.11 -1.37 114.94 120.99 1n9m s ASN 23 Ca 0.07 -1.17 0.23 0.00 -0.94 0.00 0.00 52.86 51.05 1n9m s ASN 23 Cb -0.08 0.48 1.23 0.00 -2.00 0.00 0.00 41.25 40.88 1n9m s ASN 23 CO 0.00 -1.23 1.75 0.00 -2.94 0.00 0.00 177.10 174.68 1n9m n GLN 24 N -1.94 0.45 -0.39 3.55 0.00 -1.24 -3.07 117.38 114.75 1n9m n GLN 24 Ca 0.03 0.05 0.10 0.00 0.00 0.00 0.00 57.00 57.18 1n9m n GLN 24 Cb 0.64 -1.50 0.29 0.00 0.00 0.00 0.00 30.24 29.67 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 -1.20 3.91 0.00 2.61 4.77 -1.26 -4.97 117.00 120.86 1n9m n LEU 25 Ca 0.13 -2.15 0.00 0.00 -0.03 0.00 0.00 56.01 53.96 1n9m n LEU 25 Cb 0.15 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1n9m n LEU 25 CO 0.16 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1n9m n GLY 26 N 1.17 0.67 3.88 -0.72 0.00 -1.17 -4.55 105.19 104.47 1n9m n GLY 26 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.36 3.21 -0.10 4.61 0.00 -1.26 -4.44 121.76 121.42 1n9m s ALA 27 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.76 1n9m s ALA 27 Cb 0.00 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 20.24 1n9m s ALA 27 CO 0.00 -0.50 -0.16 0.99 0.00 0.00 0.00 175.76 176.09 1n9m s THR 28 N -2.94 1.53 -0.29 0.00 2.01 -0.55 -2.77 115.64 112.63 1n9m s THR 28 Ca 0.52 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1n9m s THR 28 Cb -0.11 -1.39 0.06 0.00 0.01 0.00 0.00 72.50 71.08 1n9m s THR 28 CO 0.48 0.45 -0.04 0.12 -0.69 0.00 0.00 174.62 174.93 1n9m s PHE 29 N 0.88 3.32 -0.27 4.92 5.36 -0.33 -1.40 117.98 130.47 1n9m s PHE 29 Ca -0.09 -2.23 -0.06 0.00 -0.96 0.00 0.00 56.93 53.60 1n9m s PHE 29 Cb -0.15 -2.13 0.00 0.00 -0.34 0.00 0.00 43.02 40.40 1n9m s PHE 29 CO -0.00 -0.86 0.04 0.42 -1.46 0.00 0.00 175.22 173.36 1n9m s ILE 30 N 1.14 3.78 0.05 3.12 1.01 -0.60 -0.95 121.20 128.75 1n9m s ILE 30 Ca -0.05 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1n9m s ILE 30 Cb -0.20 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 1n9m s ILE 30 CO -0.04 0.17 -0.07 0.54 0.00 0.00 0.00 174.94 175.53 1n9m s VAL 31 N 1.49 0.54 -0.09 2.92 0.11 -0.94 -1.29 120.40 123.14 1n9m s VAL 31 Ca 0.03 -1.19 0.03 0.00 -2.93 0.00 0.00 61.98 57.92 1n9m s VAL 31 Cb -0.16 -0.74 0.01 0.00 -1.53 0.00 0.00 36.38 33.95 1n9m s VAL 31 CO 0.01 -0.46 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.24 1n9m s THR 32 N -1.70 1.67 -0.34 5.04 2.01 -0.47 -1.86 115.64 119.99 1n9m s THR 32 Ca -0.07 -0.79 -0.14 0.00 0.31 0.00 0.00 61.69 61.00 1n9m s THR 32 Cb -0.08 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 1n9m s THR 32 CO -0.00 0.47 0.31 0.00 -0.69 0.00 0.00 174.62 174.71 1n9m s ALA 33 N 0.53 3.50 0.58 7.40 0.00 -1.26 -2.48 121.76 130.03 1n9m s ALA 33 Ca -0.16 -1.29 -0.08 0.00 0.00 0.00 0.00 51.96 50.43 1n9m s ALA 33 Cb -0.17 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 1n9m s ALA 33 CO 0.06 -1.04 0.93 0.20 0.00 0.00 0.00 175.76 175.91 1n9m s GLY 34 N 1.73 1.59 0.55 0.00 0.00 -0.67 -4.90 107.32 105.61 1n9m s GLY 34 Ca 0.09 -0.38 0.31 0.00 0.00 0.00 0.00 44.72 44.74 1n9m s GLY 34 CO 0.11 -0.13 2.08 0.00 0.00 0.00 0.00 173.10 175.16 1n9m h ALA 35 N -0.16 1.15 -0.34 3.20 0.00 -1.99 -2.78 119.26 118.35 1n9m h ALA 35 Ca -0.45 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1n9m h ALA 35 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1n9m h ALA 35 CO 0.62 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.57 1n9m n ASP 36 N -3.41 2.38 0.00 0.00 5.75 -1.26 -4.95 116.55 115.06 1n9m n ASP 36 Ca -0.01 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1n9m n ASP 36 Cb 0.24 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 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 1.25 0.56 3.86 6.12 0.00 -1.05 -4.99 105.19 110.95 1n9m n GLY 37 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 3.35 -0.10 4.61 0.00 -1.26 -1.56 121.76 124.80 1n9m s ALA 38 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.90 1n9m s ALA 38 Cb 0.00 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 1n9m s ALA 38 CO 0.00 0.20 -0.18 -0.51 0.00 0.00 0.00 175.76 175.27 1n9m s LEU 39 N -3.35 2.48 0.02 0.00 1.02 -0.48 -1.67 118.68 116.70 1n9m s LEU 39 Ca 0.52 -0.39 0.01 0.00 0.02 0.00 0.00 54.13 54.29 1n9m s LEU 39 Cb -0.10 -1.52 -0.02 0.00 0.02 0.00 0.00 46.19 44.57 1n9m s LEU 39 CO 0.24 0.20 -0.05 0.42 0.02 0.00 0.00 176.35 177.18 1n9m s THR 40 N 0.12 0.28 -3.53 5.49 -4.23 -1.03 -1.69 115.64 111.04 1n9m s THR 40 Ca -0.09 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1n9m s THR 40 Cb -0.15 -0.37 0.00 0.00 1.34 0.00 0.00 72.50 73.32 1n9m s THR 40 CO 0.05 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 1n9m n GLY 41 N 1.81 -0.56 3.13 3.99 0.00 -1.17 -1.37 105.19 111.02 1n9m n GLY 41 Ca -0.21 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.69 0.71 -0.05 2.61 -4.23 -0.41 -2.22 115.64 108.37 1n9m s THR 42 Ca 0.00 -1.52 0.03 0.00 -1.18 0.00 0.00 61.69 59.02 1n9m s THR 42 Cb 0.00 -1.18 0.00 0.00 1.34 0.00 0.00 72.50 72.66 1n9m s THR 42 CO 0.00 -0.59 -0.13 -0.47 -0.54 0.00 0.00 174.62 172.89 1n9m s TYR 43 N -2.42 1.38 -0.18 3.99 6.14 -0.73 -1.56 117.35 123.96 1n9m s TYR 43 Ca 0.02 -0.42 0.01 0.00 0.64 0.00 0.00 57.07 57.31 1n9m s TYR 43 Cb -0.03 -0.97 0.03 0.00 0.42 0.00 0.00 41.96 41.40 1n9m s TYR 43 CO -0.01 -0.19 -0.17 -2.00 0.64 0.00 0.00 175.55 173.82 1n9m s GLU 44 N 0.32 2.69 0.01 4.97 2.12 -0.49 -1.50 118.70 126.83 1n9m s GLU 44 Ca -0.08 -0.84 -0.08 0.00 0.36 0.00 0.00 54.97 54.34 1n9m s GLU 44 Cb -0.12 -2.50 -0.05 0.00 0.26 0.00 0.00 34.13 31.71 1n9m s GLU 44 CO 0.02 -0.28 0.29 0.45 -0.54 0.00 0.00 175.26 175.21 1n9m s SER 45 N 1.32 6.53 0.00 -1.70 0.15 -1.26 -1.49 113.70 117.25 1n9m s SER 45 Ca 0.03 0.62 0.24 0.00 0.70 0.00 0.00 55.95 57.54 1n9m s SER 45 Cb -0.14 -2.11 0.17 0.00 -1.71 0.00 0.00 66.02 62.23 1n9m s SER 45 CO -0.11 0.25 1.24 0.00 1.20 0.00 0.00 173.24 175.82 1n9m n ALA 46 N 1.17 2.58 -2.28 5.45 0.00 -1.26 -4.76 120.51 121.42 1n9m n ALA 46 Ca -0.11 -0.68 -0.15 0.00 0.00 0.00 0.00 53.44 52.49 1n9m n ALA 46 Cb 0.53 -0.81 -0.10 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.05 1.09 0.00 0.00 -7.23 -1.26 -5.07 120.40 105.88 1n9m s VAL 47 Ca 0.27 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 1n9m s VAL 47 Cb 0.20 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 35.11 1n9m s VAL 47 CO 0.33 -0.59 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 1n9m n GLY 48 N -0.27 -1.82 3.00 2.32 0.00 -1.26 -4.54 105.19 102.61 1n9m n GLY 48 Ca -0.08 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 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 0.45 5.07 -3.70 1.61 5.15 -1.26 -4.89 115.26 117.69 1n9m n ASN 49 Ca 0.00 -3.07 -0.14 0.00 -0.60 0.00 0.00 54.58 50.77 1n9m n ASN 49 Cb 0.00 -1.51 -0.09 0.00 -0.53 0.00 0.00 39.78 37.66 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 0.81 -1.13 -0.06 5.20 0.00 -1.26 -4.51 121.76 120.80 1n9m s ALA 50 Ca 0.41 0.94 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 1n9m s ALA 50 Cb 0.07 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.92 1n9m s ALA 50 CO 0.00 -0.26 0.35 -1.83 0.00 0.00 0.00 175.76 174.02 1n9m s GLU 51 N -0.62 0.60 2.65 0.00 -1.05 -1.26 -4.91 118.70 114.12 1n9m s GLU 51 Ca -0.07 0.08 0.00 0.00 -0.15 0.00 0.00 54.97 54.83 1n9m s GLU 51 Cb -0.03 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 1n9m s GLU 51 CO 0.04 -0.14 0.00 0.45 0.95 0.00 0.00 175.26 176.55 1n9m n SER 52 N 1.83 -2.80 -4.89 0.83 2.88 -1.26 -4.88 113.62 105.33 1n9m n SER 52 Ca -0.18 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.03 1n9m n SER 52 Cb 0.57 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.98 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 3.65 0.06 -1.46 0.52 -1.26 -4.48 118.95 115.98 1n9m s ARG 53 Ca 0.00 -0.01 0.07 0.00 -0.52 0.00 0.00 55.73 55.26 1n9m s ARG 53 Cb 0.00 -2.89 -0.03 0.00 0.52 0.00 0.00 34.95 32.56 1n9m s ARG 53 CO 0.00 0.49 -0.19 0.71 0.02 0.00 0.00 175.30 176.33 1n9m s TYR 54 N -1.58 1.66 0.38 -0.53 1.51 -0.56 -4.91 117.35 113.33 1n9m s TYR 54 Ca 0.39 -0.38 -0.26 0.00 -1.01 0.00 0.00 57.07 55.80 1n9m s TYR 54 Cb -0.13 -0.97 -0.09 0.00 -0.11 0.00 0.00 41.96 40.67 1n9m s TYR 54 CO 0.22 0.11 1.25 0.08 -1.11 0.00 0.00 175.55 176.10 1n9m s VAL 55 N -0.92 2.84 0.12 0.71 1.01 -1.26 -1.77 120.40 121.12 1n9m s VAL 55 Ca 0.06 0.75 0.05 0.00 0.00 0.00 0.00 61.98 62.84 1n9m s VAL 55 Cb -0.09 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1n9m s VAL 55 CO 0.02 0.12 -0.12 -1.48 0.00 0.00 0.00 175.10 173.64 1n9m s LEU 56 N -2.29 2.43 0.04 3.92 0.05 -0.94 -4.40 118.68 117.49 1n9m s LEU 56 Ca 0.55 -0.86 -0.06 0.00 0.05 0.00 0.00 54.13 53.81 1n9m s LEU 56 Cb -0.36 -0.41 -0.01 0.00 -2.05 0.00 0.00 46.19 43.36 1n9m s LEU 56 CO 0.46 -0.23 0.11 0.28 -0.55 0.00 0.00 176.35 176.42 1n9m s THR 57 N -2.52 0.13 0.00 5.48 -1.32 -1.20 -3.03 115.64 113.18 1n9m s THR 57 Ca 0.09 -1.04 0.00 0.00 -1.21 0.00 0.00 61.69 59.54 1n9m s THR 57 Cb -0.02 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 1n9m s THR 57 CO 0.01 -0.57 0.00 0.61 -2.21 0.00 0.00 174.62 172.46 1n9m n GLY 58 N 0.80 1.58 3.14 6.08 0.00 -0.68 -1.98 105.19 114.12 1n9m n GLY 58 Ca -0.19 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.19 0.75 0.08 1.61 1.81 -0.77 -1.38 118.95 119.86 1n9m s ARG 59 Ca 0.00 -1.14 -0.05 0.00 -1.72 0.00 0.00 55.73 52.82 1n9m s ARG 59 Cb 0.00 -0.28 -0.02 0.00 -0.45 0.00 0.00 34.95 34.20 1n9m s ARG 59 CO 0.00 0.02 0.08 1.52 -0.68 0.00 0.00 175.30 176.24 1n9m s TYR 60 N -2.80 0.40 -0.56 -0.53 1.13 -0.60 -2.13 117.35 112.25 1n9m s TYR 60 Ca 0.05 -0.87 -0.28 0.00 -1.41 0.00 0.00 57.07 54.55 1n9m s TYR 60 Cb -0.00 -0.25 0.02 0.00 -1.10 0.00 0.00 41.96 40.63 1n9m s TYR 60 CO -0.03 -0.48 1.33 0.34 -2.51 0.00 0.00 175.55 174.20 1n9m s ASP 61 N -2.91 6.26 0.00 -0.18 2.15 -0.77 -4.66 116.67 116.56 1n9m s ASP 61 Ca 0.08 0.23 0.29 0.00 0.43 0.00 0.00 52.55 53.58 1n9m s ASP 61 Cb 0.06 -2.55 1.71 0.00 -0.30 0.00 0.00 42.92 41.85 1n9m s ASP 61 CO -0.09 -1.61 2.05 -1.54 -0.17 0.00 0.00 175.17 173.82 1n9m n SER 62 N 9.10 0.00 -3.20 -0.34 3.41 -1.26 -3.98 113.62 117.35 1n9m n SER 62 Ca 0.11 -0.91 -0.24 0.00 -0.26 0.00 0.00 58.87 57.57 1n9m n SER 62 Cb 0.49 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.00 2.47 -1.18 7.33 0.00 -1.26 -5.06 120.51 121.82 1n9m n ALA 63 Ca 0.22 -3.46 -0.29 0.00 0.00 0.00 0.00 53.44 49.90 1n9m n ALA 63 Cb 0.10 -0.82 0.15 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.37 0.92 0.79 0.00 0.04 -1.26 -5.02 135.00 129.10 1n9m s PRO 64 Ca 0.36 0.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.01 1n9m s PRO 64 Cb 0.19 -1.78 0.07 0.00 0.04 0.00 0.00 34.50 33.01 1n9m s PRO 64 CO -0.10 -2.45 1.10 0.00 0.04 0.00 0.00 177.00 175.59 1n9m s ALA 65 N -2.93 2.18 -0.20 8.56 0.00 -1.26 -4.98 121.76 123.11 1n9m s ALA 65 Ca 0.64 0.31 0.13 0.00 0.00 0.00 0.00 51.96 53.05 1n9m s ALA 65 Cb -0.18 -3.29 0.29 0.00 0.00 0.00 0.00 23.12 19.93 1n9m s ALA 65 CO 0.57 -1.87 1.19 0.25 0.00 0.00 0.00 175.76 175.91 1n9m n THR 66 N -3.57 1.69 0.36 0.00 -2.24 -1.26 -4.64 114.28 104.61 1n9m n THR 66 Ca 0.09 -1.76 -0.00 0.00 -2.27 0.00 0.00 64.05 60.11 1n9m n THR 66 Cb 0.53 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.87 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 -0.79 2.73 0.00 3.42 5.75 -1.26 -4.76 116.55 121.64 1n9m n ASP 67 Ca 0.13 -2.36 0.00 0.00 -0.01 0.00 0.00 54.79 52.55 1n9m n ASP 67 Cb 0.59 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 1n9m n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n9m n GLY 68 N 0.14 0.10 3.76 6.12 0.00 -1.26 -5.08 105.19 108.96 1n9m n GLY 68 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.07 5.54 1.05 1.61 0.01 -1.26 -5.05 113.70 113.52 1n9m s SER 69 Ca 0.00 2.62 -0.14 0.00 1.31 0.00 0.00 55.95 59.74 1n9m s SER 69 Cb 0.00 -2.63 0.20 0.00 0.21 0.00 0.00 66.02 63.80 1n9m s SER 69 CO 0.00 -1.37 1.02 0.61 0.41 0.00 0.00 173.24 173.91 1n9m n GLY 70 N 0.64 -1.74 3.42 3.44 0.00 -1.26 -4.85 105.19 104.83 1n9m n GLY 70 Ca 0.09 -1.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 1n9m n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9m s THR 71 N -3.16 4.53 0.35 2.61 2.01 0.01 -4.78 115.64 117.22 1n9m s THR 71 Ca 0.60 -0.50 -0.27 0.00 0.31 0.00 0.00 61.69 61.82 1n9m s THR 71 Cb -0.03 -3.34 -0.09 0.00 0.01 0.00 0.00 72.50 69.06 1n9m s THR 71 CO 0.43 0.03 1.20 0.00 -0.69 0.00 0.00 174.62 175.59 1n9m s ALA 72 N 1.59 3.33 0.27 7.40 0.00 -1.26 -1.20 121.76 131.89 1n9m s ALA 72 Ca 0.04 1.05 -0.16 0.00 0.00 0.00 0.00 51.96 52.89 1n9m s ALA 72 Cb -0.17 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.55 1n9m s ALA 72 CO 0.06 -0.49 0.60 -0.48 0.00 0.00 0.00 175.76 175.45 1n9m s LEU 73 N -2.02 0.08 0.09 0.00 0.05 -0.79 -1.85 118.68 114.24 1n9m s LEU 73 Ca 0.51 -0.83 -0.26 0.00 0.05 0.00 0.00 54.13 53.61 1n9m s LEU 73 Cb -0.34 2.24 0.07 0.00 -2.05 0.00 0.00 46.19 46.11 1n9m s LEU 73 CO 0.44 -1.27 0.66 -0.83 -0.55 0.00 0.00 176.35 174.80 1n9m s GLY 74 N -2.99 -0.59 0.18 -3.48 0.00 -0.90 -1.77 107.32 97.76 1n9m s GLY 74 Ca 0.17 0.78 -0.15 0.00 0.00 0.00 0.00 44.72 45.52 1n9m s GLY 74 CO 0.09 0.39 0.44 0.66 0.00 0.00 0.00 173.10 174.68 1n9m s TRP 75 N -3.01 0.00 -0.02 1.90 -2.14 -0.78 -1.85 118.94 113.04 1n9m s TRP 75 Ca -0.02 -0.35 0.06 0.00 2.66 0.00 0.00 56.10 58.45 1n9m s TRP 75 Cb -0.01 0.26 -0.01 0.00 -3.10 0.00 0.00 33.47 30.61 1n9m s TRP 75 CO -0.07 -0.84 -0.19 0.99 -2.66 0.00 0.00 176.95 174.19 1n9m s THR 76 N -3.89 1.52 -0.14 0.66 2.01 -0.84 -1.73 115.64 113.23 1n9m s THR 76 Ca 0.10 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.31 1n9m s THR 76 Cb 0.01 -1.27 0.00 0.00 0.01 0.00 0.00 72.50 71.25 1n9m s THR 76 CO -0.03 0.43 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.44 1n9m s VAL 77 N -0.36 2.30 -0.15 3.82 1.01 -0.74 -3.25 120.40 123.02 1n9m s VAL 77 Ca 0.05 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 1n9m s VAL 77 Cb -0.08 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 1n9m s VAL 77 CO -0.00 0.54 0.30 0.00 0.00 0.00 0.00 175.10 175.94 1n9m s ALA 78 N 0.76 3.59 -0.21 5.51 0.00 -1.26 -1.58 121.76 128.56 1n9m s ALA 78 Ca -0.08 -0.43 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 1n9m s ALA 78 Cb -0.16 -2.40 -0.08 0.00 0.00 0.00 0.00 23.12 20.48 1n9m s ALA 78 CO -0.00 0.10 3.04 0.91 0.00 0.00 0.00 175.76 179.81 1n9m n TRP 79 N 3.52 0.78 -5.06 0.00 7.02 -0.54 -4.78 117.44 118.39 1n9m n TRP 79 Ca -0.12 -1.69 -0.32 0.00 -1.02 0.00 0.00 57.50 54.35 1n9m n TRP 79 Cb 0.52 -1.39 -0.17 0.00 -2.42 0.00 0.00 31.31 27.85 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 -0.42 3.07 0.00 -0.99 2.20 -1.26 -1.97 119.74 120.37 1n9m s LYS 80 Ca 0.57 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 1n9m s LYS 80 Cb 0.32 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 34.28 1n9m s LYS 80 CO -0.09 0.14 0.00 0.27 -0.36 0.00 0.00 175.35 175.30 1n9m n ASN 81 N 3.65 0.00 0.00 1.43 0.23 -0.92 -4.80 115.26 114.86 1n9m n ASN 81 Ca -0.19 -0.72 0.13 0.00 -0.53 0.00 0.00 54.58 53.27 1n9m n ASN 81 Cb 0.53 0.00 0.73 0.00 -2.08 0.00 0.00 39.78 38.95 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 -1.99 0.00 -0.05 0.53 3.02 -1.26 -3.80 115.26 111.71 1n9m n ASN 82 Ca 0.00 -0.56 -0.05 0.00 -0.03 0.00 0.00 54.58 53.94 1n9m n ASN 82 Cb 0.00 -0.10 -0.08 0.00 -0.61 0.00 0.00 39.78 38.99 1n9m n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1n9m n TYR 83 N -1.10 0.00 -3.59 3.10 4.01 -1.26 -5.10 117.16 113.23 1n9m n TYR 83 Ca 0.17 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.76 1n9m n TYR 83 Cb 0.13 -0.51 -0.06 0.00 -0.31 0.00 0.00 39.34 38.59 1n9m n TYR 83 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1n9m s ARG 84 N -2.26 1.00 -0.12 -0.72 3.52 -1.25 -5.07 118.95 114.05 1n9m s ARG 84 Ca -0.05 -0.15 -0.04 0.00 -0.13 0.00 0.00 55.73 55.36 1n9m s ARG 84 Cb 0.03 0.46 0.05 0.00 -1.56 0.00 0.00 34.95 33.93 1n9m s ARG 84 CO 0.43 -0.34 0.11 1.21 -0.81 0.00 0.00 175.30 175.89 1n9m s ASN 85 N -1.77 1.62 0.00 -2.12 3.84 -1.26 -2.16 114.94 113.09 1n9m s ASN 85 Ca -0.07 -0.21 0.26 0.00 0.21 0.00 0.00 52.86 53.05 1n9m s ASN 85 Cb -0.01 -0.06 0.74 0.00 -0.55 0.00 0.00 41.25 41.37 1n9m s ASN 85 CO 0.01 -0.30 1.55 0.00 -2.79 0.00 0.00 177.10 175.57 1n9m n ALA 86 N 5.30 2.94 -3.56 1.71 0.00 -0.83 -4.99 120.51 121.08 1n9m n ALA 86 Ca -0.05 -0.46 -0.22 0.00 0.00 0.00 0.00 53.44 52.71 1n9m n ALA 86 Cb 0.49 -1.09 0.05 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.23 -2.07 -3.72 0.00 -0.00 -1.26 -4.87 115.22 103.06 1n9m n HIS 87 Ca 0.14 0.74 -0.09 0.00 -0.00 0.00 0.00 57.72 58.51 1n9m n HIS 87 Cb 0.38 -4.10 -0.03 0.00 -0.00 0.00 0.00 29.99 26.24 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 -3.86 -0.33 -0.09 0.41 1.04 -1.26 -1.21 113.70 108.41 1n9m s SER 88 Ca 0.25 -0.43 -0.08 0.00 0.48 0.00 0.00 55.95 56.17 1n9m s SER 88 Cb -0.06 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.72 1n9m s SER 88 CO 0.80 -1.14 0.24 0.00 0.98 0.00 0.00 173.24 174.12 1n9m s ALA 89 N -3.87 -0.59 -0.05 5.32 0.00 -0.58 -1.47 121.76 120.53 1n9m s ALA 89 Ca 0.08 0.66 0.05 0.00 0.00 0.00 0.00 51.96 52.76 1n9m s ALA 89 Cb -0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1n9m s ALA 89 CO -0.01 -0.11 -0.20 0.99 0.00 0.00 0.00 175.76 176.43 1n9m s THR 90 N 0.10 2.58 -0.07 0.00 2.01 -0.61 -1.04 115.64 118.61 1n9m s THR 90 Ca -0.00 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.13 1n9m s THR 90 Cb -0.02 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.49 1n9m s THR 90 CO 0.00 0.58 -0.13 0.42 -0.69 0.00 0.00 174.62 174.80 1n9m s THR 91 N -0.51 3.15 -0.17 -0.82 -4.23 -0.54 -1.79 115.64 110.73 1n9m s THR 91 Ca 0.07 -0.67 -0.05 0.00 -1.18 0.00 0.00 61.69 59.85 1n9m s THR 91 Cb -0.11 -2.26 -0.03 0.00 1.34 0.00 0.00 72.50 71.43 1n9m s THR 91 CO 0.01 0.57 0.00 0.26 -0.54 0.00 0.00 174.62 174.93 1n9m s TRP 92 N -0.45 3.11 -0.11 3.99 0.51 -0.71 -1.96 118.94 123.32 1n9m s TRP 92 Ca 0.06 -0.18 0.03 0.00 -2.12 0.00 0.00 56.10 53.89 1n9m s TRP 92 Cb -0.12 -2.01 0.01 0.00 -0.81 0.00 0.00 33.47 30.53 1n9m s TRP 92 CO 0.02 0.01 -0.20 0.45 -0.51 0.00 0.00 176.95 176.72 1n9m s SER 93 N 0.42 2.84 0.00 2.95 0.15 -0.40 -1.87 113.70 117.80 1n9m s SER 93 Ca -0.01 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1n9m s SER 93 Cb -0.14 -1.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.87 1n9m s SER 93 CO 0.02 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1n9m n GLY 94 N 3.86 1.64 3.07 9.45 0.00 -0.73 -1.74 105.19 120.74 1n9m n GLY 94 Ca -0.20 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 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 1.04 0.32 -0.17 1.61 -2.07 -0.75 -1.88 119.66 117.76 1n9m s GLN 95 Ca 0.00 -0.08 -0.29 0.00 -1.82 0.00 0.00 55.36 53.17 1n9m s GLN 95 Cb 0.00 0.14 -0.02 0.00 -1.09 0.00 0.00 33.01 32.04 1n9m s GLN 95 CO 0.00 -0.06 1.30 -0.47 -1.32 0.00 0.00 175.29 174.73 1n9m s TYR 96 N -0.62 2.76 -0.03 9.60 5.04 -0.35 -2.16 117.35 131.61 1n9m s TYR 96 Ca -0.07 0.93 -0.25 0.00 -2.44 0.00 0.00 57.07 55.25 1n9m s TYR 96 Cb -0.04 -3.57 -0.19 0.00 0.35 0.00 0.00 41.96 38.51 1n9m s TYR 96 CO 0.01 -1.87 1.14 0.28 -1.34 0.00 0.00 175.55 173.77 1n9m h VAL 97 N 5.54 1.20 -0.21 3.14 2.07 -1.66 0.08 116.25 126.41 1n9m h VAL 97 Ca -0.27 -1.14 -0.06 0.00 0.82 0.00 0.00 66.70 66.05 1n9m h VAL 97 Cb 1.11 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 1n9m h VAL 97 CO 0.97 0.27 -0.06 0.61 0.02 0.00 0.00 177.57 179.39 1n9m n GLY 98 N 0.32 0.50 0.00 2.17 0.00 -1.26 -4.35 105.19 102.57 1n9m n GLY 98 Ca -0.08 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.17 1.43 0.00 -0.02 0.00 -1.26 -4.95 105.19 98.22 1n9m n GLY 99 Ca -0.03 -1.58 0.11 0.00 0.00 0.00 0.00 46.02 44.52 1n9m n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9m n ALA 100 N -3.00 2.05 -2.15 4.61 0.00 -1.26 -4.83 120.51 115.93 1n9m n ALA 100 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 1n9m n ALA 100 Cb 0.00 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.00 1n9m n ALA 100 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1n9m s GLU 101 N -2.81 0.81 -0.43 0.00 -1.05 -1.26 -4.91 118.70 109.06 1n9m s GLU 101 Ca 0.15 -1.34 -0.29 0.00 -0.15 0.00 0.00 54.97 53.35 1n9m s GLU 101 Cb 0.14 -0.04 0.02 0.00 -0.44 0.00 0.00 34.13 33.82 1n9m s GLU 101 CO 0.36 -0.08 1.15 0.00 0.95 0.00 0.00 175.26 177.64 1n9m s ALA 102 N -3.76 3.24 -0.05 -0.84 0.00 -1.26 -4.55 121.76 114.54 1n9m s ALA 102 Ca 0.13 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 1n9m s ALA 102 Cb 0.06 -3.84 0.01 0.00 0.00 0.00 0.00 23.12 19.36 1n9m s ALA 102 CO -0.05 -2.05 0.13 0.50 0.00 0.00 0.00 175.76 174.29 1n9m s ARG 103 N 4.28 0.15 -0.16 0.00 3.52 -1.26 -3.64 118.95 121.83 1n9m s ARG 103 Ca 0.49 0.19 0.01 0.00 -0.13 0.00 0.00 55.73 56.29 1n9m s ARG 103 Cb -0.09 0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.37 1n9m s ARG 103 CO 0.27 -0.03 -0.19 0.42 -0.81 0.00 0.00 175.30 174.96 1n9m s ILE 104 N 0.14 1.94 -0.19 4.11 1.01 -0.18 -1.68 121.20 126.35 1n9m s ILE 104 Ca -0.01 -0.88 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 1n9m s ILE 104 Cb -0.02 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 1n9m s ILE 104 CO -0.00 0.52 0.05 0.20 0.00 0.00 0.00 174.94 175.71 1n9m s ASN 105 N 1.19 5.46 0.15 3.58 0.01 -0.92 -0.96 114.94 123.45 1n9m s ASN 105 Ca 0.01 0.01 0.02 0.00 -0.71 0.00 0.00 52.86 52.19 1n9m s ASN 105 Cb -0.14 -1.94 -0.04 0.00 0.41 0.00 0.00 41.25 39.54 1n9m s ASN 105 CO -0.09 0.14 -0.02 0.42 -1.51 0.00 0.00 177.10 176.04 1n9m s THR 106 N 0.56 0.66 0.12 1.60 -4.23 -0.61 -1.82 115.64 111.91 1n9m s THR 106 Ca 0.02 -1.96 0.11 0.00 -1.18 0.00 0.00 61.69 58.68 1n9m s THR 106 Cb -0.13 -1.97 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 1n9m s THR 106 CO 0.01 -0.61 -0.26 -1.10 -0.54 0.00 0.00 174.62 172.12 1n9m s GLN 107 N -3.89 1.49 0.06 3.99 -0.21 -0.71 -2.72 119.66 117.67 1n9m s GLN 107 Ca 0.20 -1.30 0.00 0.00 0.02 0.00 0.00 55.36 54.28 1n9m s GLN 107 Cb 0.06 -1.93 -0.04 0.00 1.00 0.00 0.00 33.01 32.10 1n9m s GLN 107 CO 0.01 0.46 -0.05 1.67 -2.12 0.00 0.00 175.29 175.26 1n9m s TRP 108 N -1.03 0.63 -0.12 0.91 1.48 -0.26 -1.27 118.94 119.28 1n9m s TRP 108 Ca 0.14 -0.88 0.01 0.00 -1.06 0.00 0.00 56.10 54.31 1n9m s TRP 108 Cb -0.10 -0.41 0.02 0.00 -1.16 0.00 0.00 33.47 31.82 1n9m s TRP 108 CO 0.06 -0.24 -0.12 -0.51 -4.06 0.00 0.00 176.95 172.07 1n9m s LEU 109 N -2.60 1.55 -0.30 -4.66 1.43 -0.83 -2.35 118.68 110.91 1n9m s LEU 109 Ca 0.03 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 1n9m s LEU 109 Cb 0.02 -1.03 0.04 0.00 0.03 0.00 0.00 46.19 45.26 1n9m s LEU 109 CO -0.06 -0.05 0.03 -0.22 0.23 0.00 0.00 176.35 176.28 1n9m s LEU 110 N 1.34 3.93 -0.18 1.79 2.96 -0.64 -1.47 118.68 126.42 1n9m s LEU 110 Ca 0.00 -1.15 -0.06 0.00 -0.22 0.00 0.00 54.13 52.70 1n9m s LEU 110 Cb -0.14 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1n9m s LEU 110 CO -0.06 -0.26 0.03 -0.89 -1.32 0.00 0.00 176.35 173.85 1n9m s THR 111 N 1.32 4.43 -0.00 3.68 2.01 -0.20 -1.70 115.64 125.18 1n9m s THR 111 Ca -0.03 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 1n9m s THR 111 Cb -0.19 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1n9m s THR 111 CO -0.00 0.46 0.16 -0.44 -0.69 0.00 0.00 174.62 174.12 1n9m s SER 112 N 0.45 6.22 0.27 3.53 0.01 -0.69 -1.53 113.70 121.97 1n9m s SER 112 Ca 0.01 0.30 -0.29 0.00 1.31 0.00 0.00 55.95 57.27 1n9m s SER 112 Cb -0.13 -1.92 -0.10 0.00 0.21 0.00 0.00 66.02 64.08 1n9m s SER 112 CO 0.01 0.25 1.29 -0.83 0.41 0.00 0.00 173.24 174.38 1n9m s GLY 113 N -1.96 2.77 0.14 3.44 0.00 -0.35 -4.88 107.32 106.49 1n9m s GLY 113 Ca 0.27 1.17 -0.00 0.00 0.00 0.00 0.00 44.72 46.16 1n9m s GLY 113 CO 0.19 1.94 0.04 -0.51 0.00 0.00 0.00 173.10 174.76 1n9m s THR 114 N -0.63 0.28 0.97 0.90 -4.23 -1.26 -5.02 115.64 106.66 1n9m s THR 114 Ca 0.52 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.98 1n9m s THR 114 Cb -0.38 -2.06 0.17 0.00 1.34 0.00 0.00 72.50 71.58 1n9m s THR 114 CO 0.46 -0.48 1.09 0.42 -0.54 0.00 0.00 174.62 175.56 1n9m s THR 115 N -3.93 2.32 0.23 3.99 -4.23 -1.26 -4.88 115.64 107.88 1n9m s THR 115 Ca 0.24 0.10 -0.04 0.00 -1.18 0.00 0.00 61.69 60.81 1n9m s THR 115 Cb 0.07 -2.51 0.07 0.00 1.34 0.00 0.00 72.50 71.47 1n9m s THR 115 CO 0.02 -0.14 1.69 -0.33 -0.54 0.00 0.00 174.62 175.32 1n9m h GLU 116 N -1.85 0.82 0.00 3.99 4.39 -2.01 -2.03 114.58 117.89 1n9m h GLU 116 Ca -0.53 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 58.90 1n9m h GLU 116 Cb 1.31 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1n9m h GLU 116 CO 0.55 0.89 0.00 0.00 -1.16 0.00 0.00 179.01 179.28 1n9m h ALA 117 N 1.14 1.00 -0.30 3.43 0.00 -2.07 -2.15 119.26 120.32 1n9m h ALA 117 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1n9m h ALA 117 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1n9m h ALA 117 CO 0.04 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.38 1n9m n ASN 118 N -2.80 2.79 0.24 0.00 3.02 -0.79 -4.69 115.26 113.03 1n9m n ASN 118 Ca -0.02 -1.96 0.07 0.00 -0.03 0.00 0.00 54.58 52.64 1n9m n ASN 118 Cb 0.08 -0.20 0.57 0.00 -0.61 0.00 0.00 39.78 39.62 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 1.89 1.69 -0.11 5.41 0.00 -1.11 -2.17 119.26 124.87 1n9m h ALA 119 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1n9m h ALA 119 Cb 0.70 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1n9m h ALA 119 CO 0.00 0.17 0.10 0.11 0.00 0.00 0.00 179.25 179.63 1n9m h TRP 120 N 0.00 0.00 -0.49 0.00 5.08 -1.83 -2.13 115.95 116.58 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 0.26 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 26.26 1n9m h TRP 120 CO 0.00 0.00 0.05 0.36 -1.28 0.00 0.00 178.44 177.57 1n9m n LYS 121 N -4.12 1.94 0.18 0.12 2.85 -0.82 -4.70 118.16 113.61 1n9m n LYS 121 Ca -0.00 -3.18 0.12 0.00 -1.05 0.00 0.00 58.31 54.19 1n9m n LYS 121 Cb 0.21 -1.90 0.20 0.00 -0.65 0.00 0.00 35.03 32.89 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 1.03 0.00 -3.20 -5.58 4.64 -1.46 -3.47 113.55 105.51 1n9m h SER 122 Ca 0.31 -0.01 -0.52 0.00 -0.47 0.00 0.00 61.79 61.10 1n9m h SER 122 Cb 1.88 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.60 1n9m h SER 122 CO 0.55 0.00 -0.80 -0.89 -0.87 0.00 0.00 176.83 174.82 1n9m s THR 123 N -3.20 1.01 0.20 2.95 2.01 -1.26 -1.71 115.64 115.64 1n9m s THR 123 Ca 0.07 -0.29 -0.12 0.00 0.31 0.00 0.00 61.69 61.66 1n9m s THR 123 Cb 0.07 -1.03 -0.07 0.00 0.01 0.00 0.00 72.50 71.48 1n9m s THR 123 CO 0.67 0.36 0.56 -0.76 -0.69 0.00 0.00 174.62 174.76 1n9m s LEU 124 N 1.63 4.23 0.05 4.42 1.43 -0.69 -4.94 118.68 124.82 1n9m s LEU 124 Ca 0.03 1.01 0.05 0.00 -1.03 0.00 0.00 54.13 54.20 1n9m s LEU 124 Cb -0.13 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 1n9m s LEU 124 CO -0.07 -0.01 -0.15 0.54 0.23 0.00 0.00 176.35 176.89 1n9m s VAL 125 N -1.68 1.23 0.00 -1.59 0.11 -1.26 -1.62 120.40 115.59 1n9m s VAL 125 Ca 0.44 -1.13 0.00 0.00 -2.93 0.00 0.00 61.98 58.36 1n9m s VAL 125 Cb -0.13 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 1n9m s VAL 125 CO 0.20 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.56 1n9m n GLY 126 N 1.70 1.68 2.80 6.54 0.00 -0.99 -5.01 105.19 111.91 1n9m n GLY 126 Ca -0.19 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.80 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 -5.83 0.00 -0.03 1.61 -3.43 -1.26 -1.10 115.29 105.25 1n9m s HIS 127 Ca 0.00 0.17 0.07 0.00 -0.80 0.00 0.00 55.06 54.50 1n9m s HIS 127 Cb 0.00 -0.20 -0.01 0.00 -1.43 0.00 0.00 32.58 30.93 1n9m s HIS 127 CO 0.00 -0.10 -0.24 -0.51 -2.00 0.00 0.00 174.74 171.90 1n9m s ASP 128 N 1.03 2.86 -0.12 7.38 1.01 -1.10 -5.00 116.67 122.73 1n9m s ASP 128 Ca -0.08 -0.46 0.01 0.00 0.71 0.00 0.00 52.55 52.72 1n9m s ASP 128 Cb -0.12 -0.53 -0.02 0.00 1.01 0.00 0.00 42.92 43.27 1n9m s ASP 128 CO -0.03 0.27 -0.13 0.28 0.21 0.00 0.00 175.17 175.76 1n9m s THR 129 N -0.37 3.04 -0.07 -1.27 -1.32 -1.26 -1.58 115.64 112.81 1n9m s THR 129 Ca 0.04 -0.68 0.02 0.00 -1.21 0.00 0.00 61.69 59.86 1n9m s THR 129 Cb -0.11 -2.26 -0.02 0.00 -1.51 0.00 0.00 72.50 68.60 1n9m s THR 129 CO 0.01 0.54 -0.14 -0.36 -2.21 0.00 0.00 174.62 172.46 1n9m s PHE 130 N 0.17 2.74 0.01 9.09 0.08 -0.13 -3.63 117.98 126.31 1n9m s PHE 130 Ca -0.07 -0.29 0.01 0.00 0.12 0.00 0.00 56.93 56.69 1n9m s PHE 130 Cb -0.15 -1.70 -0.01 0.00 -0.57 0.00 0.00 43.02 40.59 1n9m s PHE 130 CO 0.05 0.07 -0.03 0.95 -0.10 0.00 0.00 175.22 176.16 1n9m s THR 131 N -0.41 0.23 0.18 0.64 -4.23 -0.47 -1.01 115.64 110.57 1n9m s THR 131 Ca 0.05 -0.42 0.21 0.00 -1.18 0.00 0.00 61.69 60.35 1n9m s THR 131 Cb -0.12 -0.25 0.18 0.00 1.34 0.00 0.00 72.50 73.64 1n9m s THR 131 CO 0.02 -0.13 1.79 0.11 -0.54 0.00 0.00 174.62 175.88 1n9m h LYS 132 N 5.55 0.00 -5.68 3.99 1.57 -1.78 -1.77 116.57 118.45 1n9m h LYS 132 Ca -0.29 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.88 1n9m h LYS 132 Cb 1.20 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.40 1n9m h LYS 132 CO 0.47 0.31 0.30 0.08 -0.57 0.00 0.00 179.45 180.04 1n9m s VAL 133 N -3.69 4.81 0.23 0.50 1.01 -1.26 -4.84 120.40 117.15 1n9m s VAL 133 Ca -0.00 0.90 -0.32 0.00 0.00 0.00 0.00 61.98 62.56 1n9m s VAL 133 Cb 0.11 -4.14 -0.12 0.00 0.00 0.00 0.00 36.38 32.23 1n9m s VAL 133 CO 0.66 -0.32 1.62 1.17 0.00 0.00 0.00 175.10 178.23 1n9m n LYS 134 N 6.21 2.53 0.00 2.72 4.81 -1.26 -4.92 118.16 128.25 1n9m n LYS 134 Ca 0.02 0.91 0.13 0.00 -0.87 0.00 0.00 58.31 58.49 1n9m n LYS 134 Cb 0.48 -2.70 0.76 0.00 0.02 0.00 0.00 35.03 33.60 1n9m n LYS 134 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22