#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1m n GLY 18 N 0.00 1.42 3.55 0.62 0.00 -1.26 -5.16 105.19 104.35 3a1m n GLY 18 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3a1m n GLY 18 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 19 N -2.00 3.95 0.38 1.61 0.01 -1.26 -5.15 114.94 112.48 3a1m s ASN 19 Ca 0.00 -0.93 -0.01 0.00 -0.71 0.00 0.00 52.86 51.21 3a1m s ASN 19 Cb 0.00 -0.49 -0.03 0.00 0.41 0.00 0.00 41.25 41.14 3a1m s ASN 19 CO 0.00 -0.02 0.61 -0.83 -1.51 0.00 0.00 177.10 175.35 3a1m s GLY 20 N -3.59 1.41 0.29 0.66 0.00 -1.26 -5.05 107.32 99.78 3a1m s GLY 20 Ca 0.31 -0.78 -0.28 0.00 0.00 0.00 0.00 44.72 43.97 3a1m s GLY 20 CO 0.17 -0.69 1.00 2.41 0.00 0.00 0.00 173.10 175.99 3a1m n THR 21 N -1.85 1.99 -3.40 0.90 -1.04 -1.26 -4.99 114.28 104.63 3a1m n THR 21 Ca -0.03 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.10 3a1m n THR 21 Cb 0.56 -0.97 -0.08 0.00 -1.82 0.00 0.00 70.33 68.01 3a1m n THR 21 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3a1m s ILE 22 N -1.05 5.20 -0.11 12.58 1.01 -1.26 -5.07 121.20 132.50 3a1m s ILE 22 Ca 0.59 0.63 0.01 0.00 0.00 0.00 0.00 60.65 61.87 3a1m s ILE 22 Cb -0.71 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.04 3a1m s ILE 22 CO 0.60 0.22 -0.13 -0.76 0.00 0.00 0.00 174.94 174.87 3a1m s LEU 23 N 1.61 2.76 -0.33 2.97 1.02 -1.26 -5.09 118.68 120.37 3a1m s LEU 23 Ca 0.17 -0.27 -0.10 0.00 0.02 0.00 0.00 54.13 53.94 3a1m s LEU 23 Cb -0.15 -1.61 -0.00 0.00 0.02 0.00 0.00 46.19 44.45 3a1m s LEU 23 CO 0.08 0.22 0.17 -0.69 0.02 0.00 0.00 176.35 176.16 3a1m s VAL 24 N 0.02 4.66 -1.14 -1.59 1.01 -1.26 -5.01 120.40 117.09 3a1m s VAL 24 Ca -0.04 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 3a1m s VAL 24 Cb -0.14 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 32.85 3a1m s VAL 24 CO 0.04 -0.01 2.65 0.29 0.00 0.00 0.00 175.10 178.07 3a1m n LYS 25 N 5.00 3.88 -0.36 2.72 5.02 -1.26 -4.77 118.16 128.39 3a1m n LYS 25 Ca -0.13 -2.86 0.00 0.00 -2.02 0.00 0.00 58.31 53.30 3a1m n LYS 25 Cb 0.48 -2.54 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 3a1m n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1m n GLY 26 N 1.99 -0.37 3.80 0.72 0.00 -1.26 -5.14 105.19 104.93 3a1m n GLY 26 Ca 0.62 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 3a1m n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 27 N -4.00 4.71 -0.03 1.61 0.01 -1.26 -5.08 114.94 110.90 3a1m s ASN 27 Ca 0.00 1.47 0.02 0.00 -0.71 0.00 0.00 52.86 53.64 3a1m s ASN 27 Cb 0.00 -2.24 0.00 0.00 0.41 0.00 0.00 41.25 39.42 3a1m s ASN 27 CO 0.00 -1.85 -0.09 0.54 -1.51 0.00 0.00 177.10 174.19 3a1m s VAL 28 N -3.08 0.77 -0.12 1.60 0.11 -1.26 -5.03 120.40 113.39 3a1m s VAL 28 Ca 0.60 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 59.31 3a1m s VAL 28 Cb -0.15 -0.69 0.02 0.00 -1.53 0.00 0.00 36.38 34.03 3a1m s VAL 28 CO 0.55 0.24 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.54 3a1m s THR 29 N 0.22 1.41 -0.04 5.04 2.01 -1.26 -5.13 115.64 117.90 3a1m s THR 29 Ca -0.04 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.45 3a1m s THR 29 Cb -0.09 -1.32 -0.01 0.00 0.01 0.00 0.00 72.50 71.10 3a1m s THR 29 CO 0.00 0.43 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.56 3a1m s ILE 30 N 1.29 1.41 -0.16 1.82 1.01 -1.26 -5.13 121.20 120.19 3a1m s ILE 30 Ca -0.01 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.94 3a1m s ILE 30 Cb -0.14 -1.20 0.02 0.00 0.01 0.00 0.00 42.46 41.15 3a1m s ILE 30 CO -0.06 0.40 -0.17 -0.63 0.00 0.00 0.00 174.94 174.48 3a1m s ILE 31 N -0.06 1.82 -0.29 2.92 1.01 -1.26 -5.12 121.20 120.22 3a1m s ILE 31 Ca -0.01 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 3a1m s ILE 31 Cb -0.10 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 3a1m s ILE 31 CO 0.01 0.50 0.16 -0.69 0.00 0.00 0.00 174.94 174.92 3a1m s VAL 32 N 1.29 4.86 0.33 2.92 1.01 -1.26 -4.99 120.40 124.57 3a1m s VAL 32 Ca 0.03 -0.13 0.11 0.00 0.00 0.00 0.00 61.98 61.98 3a1m s VAL 32 Cb -0.13 -3.38 0.05 0.00 0.00 0.00 0.00 36.38 32.92 3a1m s VAL 32 CO -0.10 0.18 1.75 -0.33 0.00 0.00 0.00 175.10 176.61 3a1m h GLU 33 N 8.35 0.03 0.00 2.72 5.08 -2.07 -3.46 114.58 125.23 3a1m h GLU 33 Ca -0.35 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3a1m h GLU 33 Cb 1.17 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3a1m h GLU 33 CO 0.59 0.47 0.00 0.41 -1.00 0.00 0.00 179.01 179.48 3a1m n GLY 34 N -0.24 3.57 3.84 -3.84 0.00 -1.26 -5.11 105.19 102.16 3a1m n GLY 34 Ca -0.02 -1.76 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 3a1m n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 35 N 0.03 6.72 -0.17 1.61 0.01 -1.26 -5.08 114.94 116.79 3a1m s ASN 35 Ca 0.00 1.52 -0.01 0.00 -0.71 0.00 0.00 52.86 53.66 3a1m s ASN 35 Cb 0.00 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.18 3a1m s ASN 35 CO 0.00 -0.46 -0.14 0.00 -1.51 0.00 0.00 177.10 175.00 3a1m s ALA 36 N -2.40 2.54 -0.22 0.60 0.00 -1.26 -5.08 121.76 115.94 3a1m s ALA 36 Ca 0.58 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.45 3a1m s ALA 36 Cb -0.10 -1.33 0.05 0.00 0.00 0.00 0.00 23.12 21.75 3a1m s ALA 36 CO 0.25 -0.18 -0.09 0.34 0.00 0.00 0.00 175.76 176.07 3a1m s ASP 37 N 1.05 3.78 -0.05 0.00 2.15 -1.26 -5.11 116.67 117.23 3a1m s ASP 37 Ca -0.01 -1.09 0.06 0.00 0.43 0.00 0.00 52.55 51.95 3a1m s ASP 37 Cb -0.15 -1.31 -0.01 0.00 -0.30 0.00 0.00 42.92 41.16 3a1m s ASP 37 CO -0.03 -0.18 -0.25 -0.63 -0.17 0.00 0.00 175.17 173.91 3a1m s ILE 38 N 1.32 2.02 -0.07 4.11 1.01 -1.26 -5.10 121.20 123.23 3a1m s ILE 38 Ca -0.04 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 59.56 3a1m s ILE 38 Cb -0.18 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.61 3a1m s ILE 38 CO -0.07 0.56 -0.08 -0.89 0.00 0.00 0.00 174.94 174.46 3a1m s THR 39 N -0.26 0.89 -0.15 2.92 2.01 -1.26 -5.12 115.64 114.68 3a1m s THR 39 Ca -0.00 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.69 3a1m s THR 39 Cb -0.13 -0.86 -0.00 0.00 0.01 0.00 0.00 72.50 71.52 3a1m s THR 39 CO 0.03 0.31 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.43 3a1m s VAL 40 N 0.96 2.75 -0.47 3.82 1.01 -1.26 -5.03 120.40 122.19 3a1m s VAL 40 Ca -0.10 -0.75 0.23 0.00 0.00 0.00 0.00 61.98 61.37 3a1m s VAL 40 Cb -0.15 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3a1m s VAL 40 CO 0.00 0.51 1.16 0.11 0.00 0.00 0.00 175.10 176.89 3a1m h LYS 41 N 7.20 0.00 0.00 2.72 1.57 -2.06 -3.46 116.57 122.54 3a1m h LYS 41 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3a1m h LYS 41 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3a1m h LYS 41 CO 0.56 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.85 3a1m n GLY 42 N 1.28 2.20 3.88 3.86 0.00 -1.26 -5.11 105.19 110.05 3a1m n GLY 42 Ca 0.02 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 3a1m n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a1m s ASP 43 N -0.66 6.56 -0.08 1.61 1.01 -1.26 -5.09 116.67 118.76 3a1m s ASP 43 Ca 0.00 0.83 0.05 0.00 0.71 0.00 0.00 52.55 54.14 3a1m s ASP 43 Cb 0.00 -2.19 -0.00 0.00 1.01 0.00 0.00 42.92 41.74 3a1m s ASP 43 CO 0.00 -0.10 -0.24 0.00 0.21 0.00 0.00 175.17 175.04 3a1m s ALA 44 N -1.88 2.13 -0.03 5.23 0.00 -1.26 -5.07 121.76 120.88 3a1m s ALA 44 Ca 0.46 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.46 3a1m s ALA 44 Cb -0.11 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.27 3a1m s ALA 44 CO 0.24 0.34 -0.07 0.95 0.00 0.00 0.00 175.76 177.21 3a1m s THR 45 N 0.14 0.66 -0.01 0.00 -4.23 -1.26 -5.14 115.64 105.80 3a1m s THR 45 Ca -0.12 -0.28 0.05 0.00 -1.18 0.00 0.00 61.69 60.16 3a1m s THR 45 Cb -0.16 -0.61 -0.01 0.00 1.34 0.00 0.00 72.50 73.06 3a1m s THR 45 CO 0.07 0.22 -0.15 -0.89 -0.54 0.00 0.00 174.62 173.32 3a1m s THR 46 N 0.33 1.20 -0.07 3.99 2.01 -1.26 -5.13 115.64 116.72 3a1m s THR 46 Ca -0.05 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.28 3a1m s THR 46 Cb -0.09 -1.01 0.02 0.00 0.01 0.00 0.00 72.50 71.43 3a1m s THR 46 CO 0.00 0.31 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.95 3a1m s LEU 47 N -0.43 1.33 -0.18 4.42 2.96 -1.26 -5.11 118.68 120.41 3a1m s LEU 47 Ca 0.06 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 3a1m s LEU 47 Cb -0.06 -0.65 0.01 0.00 0.50 0.00 0.00 46.19 45.99 3a1m s LEU 47 CO -0.00 -0.05 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.11 3a1m s VAL 48 N 1.10 2.34 -0.07 1.68 1.01 -1.26 -5.02 120.40 120.18 3a1m s VAL 48 Ca -0.07 -0.85 0.16 0.00 0.00 0.00 0.00 61.98 61.21 3a1m s VAL 48 Cb -0.14 -1.99 0.07 0.00 0.00 0.00 0.00 36.38 34.32 3a1m s VAL 48 CO -0.01 0.52 1.51 -0.33 0.00 0.00 0.00 175.10 176.79 3a1m h GLU 49 N 7.83 0.00 0.00 2.72 5.08 -2.07 -3.46 114.58 124.69 3a1m h GLU 49 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3a1m h GLU 49 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3a1m h GLU 49 CO 0.62 0.48 0.00 0.41 -1.00 0.00 0.00 179.01 179.52 3a1m n GLY 50 N 0.99 2.55 3.86 -3.84 0.00 -1.26 -5.10 105.19 102.39 3a1m n GLY 50 Ca 0.01 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 3a1m n GLY 50 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 51 N -0.54 6.68 -0.09 1.61 0.01 -1.26 -5.09 114.94 116.25 3a1m s ASN 51 Ca 0.00 1.16 0.04 0.00 -0.71 0.00 0.00 52.86 53.35 3a1m s ASN 51 Cb 0.00 -2.33 0.00 0.00 0.41 0.00 0.00 41.25 39.34 3a1m s ASN 51 CO 0.00 -0.23 -0.21 -1.58 -1.51 0.00 0.00 177.10 173.58 3a1m s GLN 52 N -3.17 2.68 -0.08 -0.60 0.74 -1.26 -5.07 119.66 112.89 3a1m s GLN 52 Ca 0.52 -0.76 -0.01 0.00 0.05 0.00 0.00 55.36 55.16 3a1m s GLN 52 Cb -0.10 -2.06 0.03 0.00 1.10 0.00 0.00 33.01 31.98 3a1m s GLN 52 CO 0.22 0.15 0.00 0.99 -0.55 0.00 0.00 175.29 176.09 3a1m s THR 53 N 0.41 0.40 -0.11 -0.34 2.01 -1.26 -5.12 115.64 111.63 3a1m s THR 53 Ca -0.17 0.08 0.03 0.00 0.31 0.00 0.00 61.69 61.94 3a1m s THR 53 Cb -0.17 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.77 3a1m s THR 53 CO 0.07 0.24 -0.23 0.20 -0.69 0.00 0.00 174.62 174.22 3a1m s ASN 54 N 1.96 3.17 -0.04 3.53 0.01 -1.26 -5.11 114.94 117.19 3a1m s ASN 54 Ca 0.05 -0.56 0.04 0.00 -0.71 0.00 0.00 52.86 51.68 3a1m s ASN 54 Cb -0.12 -1.44 -0.00 0.00 0.41 0.00 0.00 41.25 40.10 3a1m s ASN 54 CO -0.05 0.14 -0.15 -0.89 -1.51 0.00 0.00 177.10 174.63 3a1m s THR 55 N 0.49 1.27 -0.06 1.60 2.01 -1.26 -5.12 115.64 114.56 3a1m s THR 55 Ca -0.15 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.24 3a1m s THR 55 Cb -0.17 -1.11 0.02 0.00 0.01 0.00 0.00 72.50 71.25 3a1m s THR 55 CO 0.05 0.37 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.60 3a1m s VAL 56 N 0.12 0.79 -0.72 3.82 1.01 -1.26 -5.03 120.40 119.13 3a1m s VAL 56 Ca -0.05 -0.24 0.23 0.00 0.00 0.00 0.00 61.98 61.93 3a1m s VAL 56 Cb -0.11 -0.79 -0.08 0.00 0.00 0.00 0.00 36.38 35.40 3a1m s VAL 56 CO 0.02 0.29 1.12 0.59 0.00 0.00 0.00 175.10 177.13 3a1m n ASN 57 N 4.22 0.63 0.00 3.32 3.02 -1.26 -4.85 115.26 120.34 3a1m n ASN 57 Ca -0.21 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 3a1m n ASN 57 Cb 0.51 0.63 0.00 0.00 -0.61 0.00 0.00 39.78 40.31 3a1m n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a1m n GLY 58 N 1.40 1.02 3.77 7.41 0.00 -1.26 -5.12 105.19 112.41 3a1m n GLY 58 Ca 0.03 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 3a1m n GLY 58 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 59 N -0.62 5.45 -0.18 1.61 0.01 -1.26 -5.11 114.94 114.84 3a1m s ASN 59 Ca 0.00 -0.09 -0.02 0.00 -0.71 0.00 0.00 52.86 52.04 3a1m s ASN 59 Cb 0.00 -1.42 -0.01 0.00 0.41 0.00 0.00 41.25 40.23 3a1m s ASN 59 CO 0.00 0.12 -0.09 -0.22 -1.51 0.00 0.00 177.10 175.40 3a1m s LEU 60 N -2.74 2.77 -0.10 0.60 2.96 -1.26 -5.08 118.68 115.83 3a1m s LEU 60 Ca 0.30 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 3a1m s LEU 60 Cb -0.11 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.92 3a1m s LEU 60 CO 0.22 0.06 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.71 3a1m s SER 61 N 1.01 2.40 -0.11 3.68 0.01 -1.26 -5.13 113.70 114.30 3a1m s SER 61 Ca -0.01 -0.42 0.03 0.00 1.31 0.00 0.00 55.95 56.86 3a1m s SER 61 Cb -0.15 -1.08 -0.01 0.00 0.21 0.00 0.00 66.02 65.00 3a1m s SER 61 CO -0.01 0.03 -0.20 0.26 0.41 0.00 0.00 173.24 173.73 3a1m s TRP 62 N 0.89 2.65 -0.14 2.43 0.52 -1.26 -5.11 118.94 118.92 3a1m s TRP 62 Ca -0.09 -0.90 -0.00 0.00 0.02 0.00 0.00 56.10 55.13 3a1m s TRP 62 Cb -0.15 -1.75 0.03 0.00 -1.15 0.00 0.00 33.47 30.44 3a1m s TRP 62 CO 0.00 -0.34 -0.11 0.15 0.02 0.00 0.00 176.95 176.67 3a1m s LYS 63 N 0.33 1.89 -0.13 4.98 1.02 -1.26 -5.10 119.74 121.46 3a1m s LYS 63 Ca -0.16 -0.43 -0.00 0.00 0.02 0.00 0.00 55.97 55.40 3a1m s LYS 63 Cb -0.17 -1.88 0.03 0.00 -0.52 0.00 0.00 37.83 35.29 3a1m s LYS 63 CO 0.08 -0.27 -0.09 0.08 -0.92 0.00 0.00 175.35 174.23 3a1m s VAL 64 N 1.59 1.22 0.12 3.17 1.01 -1.26 -5.01 120.40 121.23 3a1m s VAL 64 Ca 0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 3a1m s VAL 64 Cb -0.13 -1.23 -0.21 0.00 0.00 0.00 0.00 36.38 34.81 3a1m s VAL 64 CO -0.09 0.35 1.26 0.00 0.00 0.00 0.00 175.10 176.62 3a1m h ALA 65 N 8.13 0.29 -3.00 5.51 0.00 -2.08 -3.45 119.26 124.66 3a1m h ALA 65 Ca -0.31 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 53.83 3a1m h ALA 65 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3a1m h ALA 65 CO 0.44 0.87 0.00 0.41 0.00 0.00 0.00 179.25 180.97 3a1m n GLY 66 N 1.12 1.57 3.91 0.00 0.00 -1.26 -5.08 105.19 105.44 3a1m n GLY 66 Ca -0.07 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 44.03 3a1m n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a1m s THR 67 N 3.01 4.97 -0.09 2.61 -4.23 -1.26 -5.11 115.64 115.53 3a1m s THR 67 Ca 0.00 0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.59 3a1m s THR 67 Cb 0.00 -3.82 -0.02 0.00 1.34 0.00 0.00 72.50 70.00 3a1m s THR 67 CO 0.00 -0.62 -0.15 -0.69 -0.54 0.00 0.00 174.62 172.62 3a1m s VAL 68 N -2.44 2.94 -0.05 2.29 1.01 -1.26 -5.06 120.40 117.83 3a1m s VAL 68 Ca 0.45 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3a1m s VAL 68 Cb -0.10 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.11 3a1m s VAL 68 CO 0.38 0.55 -0.04 -0.62 0.00 0.00 0.00 175.10 175.37 3a1m s ASP 69 N -0.07 1.06 -0.14 3.32 2.15 -1.26 -5.13 116.67 116.60 3a1m s ASP 69 Ca -0.03 -0.12 0.02 0.00 0.43 0.00 0.00 52.55 52.84 3a1m s ASP 69 Cb -0.14 -0.45 0.00 0.00 -0.30 0.00 0.00 42.92 42.03 3a1m s ASP 69 CO 0.04 -0.08 -0.19 0.26 -0.17 0.00 0.00 175.17 175.03 3a1m s TRP 70 N 1.10 2.71 -0.29 -5.34 0.52 -1.26 -5.10 118.94 111.29 3a1m s TRP 70 Ca -0.08 -1.17 0.03 0.00 0.02 0.00 0.00 56.10 54.90 3a1m s TRP 70 Cb -0.14 -1.84 0.08 0.00 -1.15 0.00 0.00 33.47 30.42 3a1m s TRP 70 CO -0.01 -0.53 -0.03 0.34 0.02 0.00 0.00 176.95 176.74 3a1m s ASP 71 N 0.76 4.48 -0.22 2.95 2.15 -1.26 -5.10 116.67 120.43 3a1m s ASP 71 Ca -0.07 -1.67 -0.01 0.00 0.43 0.00 0.00 52.55 51.22 3a1m s ASP 71 Cb -0.16 -1.50 0.01 0.00 -0.30 0.00 0.00 42.92 40.97 3a1m s ASP 71 CO 0.00 -0.28 -0.10 -0.69 -0.17 0.00 0.00 175.17 173.93 3a1m s VAL 72 N 1.08 2.74 0.16 1.11 1.01 -1.26 -5.01 120.40 120.23 3a1m s VAL 72 Ca -0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 3a1m s VAL 72 Cb -0.19 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.93 3a1m s VAL 72 CO -0.07 0.39 1.56 1.23 0.00 0.00 0.00 175.10 178.21 3a1m h GLY 73 N 8.01 1.05 0.00 4.51 0.00 -2.08 -3.47 103.07 111.10 3a1m h GLY 73 Ca -0.40 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.04 3a1m h GLY 73 CO 0.60 0.82 0.00 0.61 0.00 0.00 0.00 176.54 178.57 3a1m n GLY 74 N -0.18 3.89 3.75 4.60 0.00 -1.26 -5.09 105.19 110.89 3a1m n GLY 74 Ca 0.00 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 3a1m n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a1m s ASP 75 N -0.23 6.92 -0.22 1.61 1.01 -1.26 -5.04 116.67 119.46 3a1m s ASP 75 Ca 0.00 2.43 -0.10 0.00 0.71 0.00 0.00 52.55 55.59 3a1m s ASP 75 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 3a1m s ASP 75 CO 0.00 -0.48 0.13 0.86 0.21 0.00 0.00 175.17 175.89 3a1m s TRP 76 N -0.25 3.32 -0.07 4.23 -0.11 -1.26 -5.09 118.94 119.71 3a1m s TRP 76 Ca 0.54 0.20 0.02 0.00 1.22 0.00 0.00 56.10 58.07 3a1m s TRP 76 Cb -0.36 -2.21 0.01 0.00 -1.50 0.00 0.00 33.47 29.41 3a1m s TRP 76 CO 0.41 0.12 -0.12 0.99 -4.62 0.00 0.00 176.95 173.73 3a1m s THR 77 N 0.79 1.11 -0.00 5.86 2.01 -1.26 -5.13 115.64 119.01 3a1m s THR 77 Ca 0.07 -0.45 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 3a1m s THR 77 Cb -0.13 -1.02 0.00 0.00 0.01 0.00 0.00 72.50 71.37 3a1m s THR 77 CO 0.02 0.35 0.16 -1.83 -0.69 0.00 0.00 174.62 172.63 3a1m s GLU 78 N 0.73 0.49 -0.00 4.92 -1.05 -1.26 -5.15 118.70 117.39 3a1m s GLU 78 Ca -0.13 -0.35 0.01 0.00 -0.15 0.00 0.00 54.97 54.35 3a1m s GLU 78 Cb -0.16 0.21 -0.00 0.00 -0.44 0.00 0.00 34.13 33.74 3a1m s GLU 78 CO 0.03 -0.12 -0.03 0.15 0.95 0.00 0.00 175.26 176.24 3a1m s LYS 79 N -1.31 0.27 0.26 -4.83 1.02 -1.26 -5.17 119.74 108.72 3a1m s LYS 79 Ca -0.14 -0.12 -0.18 0.00 0.02 0.00 0.00 55.97 55.55 3a1m s LYS 79 Cb -0.07 -0.27 0.01 0.00 -0.52 0.00 0.00 37.83 36.99 3a1m s LYS 79 CO 0.02 0.07 0.61 0.00 -0.92 0.00 0.00 175.35 175.13 3a1m s MET 80 N -0.08 1.66 0.09 1.68 0.23 -1.26 -5.06 119.30 116.56 3a1m s MET 80 Ca 0.01 -1.07 -0.11 0.00 -1.03 0.00 0.00 55.69 53.49 3a1m s MET 80 Cb -0.01 0.55 -0.20 0.00 -1.53 0.00 0.00 34.83 33.64 3a1m s MET 80 CO -0.00 -0.73 1.21 0.00 -2.03 0.00 0.00 175.02 173.47 3a1m h ALA 81 N 2.11 0.18 -2.97 3.16 0.00 -2.09 -3.46 119.26 116.19 3a1m h ALA 81 Ca -0.23 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 53.95 3a1m h ALA 81 Cb 1.25 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.96 3a1m h ALA 81 CO 0.29 0.73 0.17 -1.54 0.00 0.00 0.00 179.25 178.90 3a1m s SER 82 N -7.25 -0.52 -0.08 0.00 1.04 -1.26 -5.16 113.70 100.48 3a1m s SER 82 Ca -0.08 -0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.32 3a1m s SER 82 Cb 0.07 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.79 3a1m s SER 82 CO 0.91 -0.97 -0.18 -0.32 0.98 0.00 0.00 173.24 173.66 3a1m s MET 83 N -3.76 2.31 -0.17 4.02 0.00 -1.26 -5.10 119.30 115.33 3a1m s MET 83 Ca 0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 55.69 55.04 3a1m s MET 83 Cb -0.01 -1.83 0.05 0.00 0.00 0.00 0.00 34.83 33.04 3a1m s MET 83 CO -0.12 0.14 -0.02 0.45 0.00 0.00 0.00 175.02 175.47 3a1m s SER 84 N 0.40 2.86 -0.30 1.11 0.15 -1.26 -5.10 113.70 111.56 3a1m s SER 84 Ca -0.14 -0.72 -0.01 0.00 0.70 0.00 0.00 55.95 55.77 3a1m s SER 84 Cb -0.16 -0.80 0.10 0.00 -1.71 0.00 0.00 66.02 63.45 3a1m s SER 84 CO 0.06 -0.23 0.09 -0.55 1.20 0.00 0.00 173.24 173.81 3a1m s SER 85 N 1.71 3.93 -0.14 5.45 0.15 -1.26 -5.10 113.70 118.43 3a1m s SER 85 Ca -0.00 -1.55 0.02 0.00 0.70 0.00 0.00 55.95 55.12 3a1m s SER 85 Cb -0.16 -0.84 0.01 0.00 -1.71 0.00 0.00 66.02 63.32 3a1m s SER 85 CO -0.07 -0.40 -0.21 -0.63 1.20 0.00 0.00 173.24 173.12 3a1m s ILE 86 N 1.64 1.99 -0.05 6.45 1.01 -1.26 -5.12 121.20 125.87 3a1m s ILE 86 Ca 0.09 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 3a1m s ILE 86 Cb -0.17 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 3a1m s ILE 86 CO -0.24 0.54 0.03 -0.94 0.00 0.00 0.00 174.94 174.33 3a1m s SER 87 N 0.85 5.42 0.21 3.58 1.04 -1.26 -4.99 113.70 118.55 3a1m s SER 87 Ca -0.06 0.14 -0.10 0.00 0.48 0.00 0.00 55.95 56.40 3a1m s SER 87 Cb -0.15 -1.53 0.15 0.00 0.10 0.00 0.00 66.02 64.59 3a1m s SER 87 CO -0.02 0.33 1.83 0.28 0.98 0.00 0.00 173.24 176.64 3a1m h SER 88 N 4.66 0.94 0.00 7.02 0.02 -2.07 -3.45 113.55 120.67 3a1m h SER 88 Ca -0.50 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 3a1m h SER 88 Cb 1.19 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.49 3a1m h SER 88 CO 0.57 0.75 0.00 0.61 -1.14 0.00 0.00 176.83 177.63 3a1m n GLY 89 N -1.12 2.82 3.77 -3.77 0.00 -1.26 -5.09 105.19 100.53 3a1m n GLY 89 Ca 0.07 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 3a1m n GLY 89 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a1m s GLN 90 N 4.54 3.89 -0.14 1.61 1.11 -1.26 -5.03 119.66 124.38 3a1m s GLN 90 Ca 0.00 1.96 -0.00 0.00 0.01 0.00 0.00 55.36 57.33 3a1m s GLN 90 Cb 0.00 -2.61 0.03 0.00 -1.01 0.00 0.00 33.01 29.41 3a1m s GLN 90 CO 0.00 -0.49 -0.10 -0.47 0.01 0.00 0.00 175.29 174.24 3a1m s TYR 91 N -1.38 1.82 -0.07 0.91 5.04 -1.26 -4.92 117.35 117.48 3a1m s TYR 91 Ca 0.59 -1.01 0.03 0.00 -2.44 0.00 0.00 57.07 54.24 3a1m s TYR 91 Cb -0.33 -1.40 0.01 0.00 0.35 0.00 0.00 41.96 40.58 3a1m s TYR 91 CO 0.42 -0.60 -0.15 0.99 -1.34 0.00 0.00 175.55 174.87 3a1m s THR 92 N 1.60 1.34 -0.01 4.34 2.01 -1.26 -5.12 115.64 118.54 3a1m s THR 92 Ca 0.04 -0.60 0.06 0.00 0.31 0.00 0.00 61.69 61.51 3a1m s THR 92 Cb -0.13 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 3a1m s THR 92 CO -0.09 0.40 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.41 3a1m s ILE 93 N 0.62 1.55 0.04 1.82 1.01 -1.26 -5.14 121.20 119.83 3a1m s ILE 93 Ca -0.15 -0.88 -0.18 0.00 0.00 0.00 0.00 60.65 59.44 3a1m s ILE 93 Cb -0.16 -1.30 0.04 0.00 0.01 0.00 0.00 42.46 41.05 3a1m s ILE 93 CO 0.05 0.40 0.41 -0.62 0.00 0.00 0.00 174.94 175.17 3a1m s ASP 94 N -0.56 -0.28 0.17 3.58 2.15 -1.26 -5.17 116.67 115.31 3a1m s ASP 94 Ca 0.07 0.02 -0.24 0.00 0.43 0.00 0.00 52.55 52.83 3a1m s ASP 94 Cb -0.08 0.41 0.06 0.00 -0.30 0.00 0.00 42.92 43.02 3a1m s ASP 94 CO -0.00 -0.64 0.93 -0.83 -0.17 0.00 0.00 175.17 174.46 3a1m s GLY 95 N -1.92 -0.20 0.31 2.66 0.00 -1.26 -5.03 107.32 101.87 3a1m s GLY 95 Ca -0.06 0.04 0.13 0.00 0.00 0.00 0.00 44.72 44.83 3a1m s GLY 95 CO -0.01 0.05 1.66 1.48 0.00 0.00 0.00 173.10 176.28 3a1m h SER 96 N 2.00 0.00 -4.72 1.64 4.64 -2.08 -3.43 113.55 111.59 3a1m h SER 96 Ca -0.24 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.90 3a1m h SER 96 Cb 1.23 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.10 3a1m h SER 96 CO 0.25 0.54 -0.70 -0.13 -0.87 0.00 0.00 176.83 175.92 3a1m s ARG 97 N -3.66 0.25 -0.08 4.77 0.52 -1.26 -5.15 118.95 114.34 3a1m s ARG 97 Ca -0.01 -0.48 -0.00 0.00 -0.52 0.00 0.00 55.73 54.71 3a1m s ARG 97 Cb 0.12 0.09 0.03 0.00 0.52 0.00 0.00 34.95 35.71 3a1m s ARG 97 CO 0.74 -0.04 -0.04 0.42 0.02 0.00 0.00 175.30 176.40 3a1m s ILE 98 N -1.16 0.69 -0.16 1.52 1.01 -1.26 -5.11 121.20 116.72 3a1m s ILE 98 Ca -0.13 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.44 3a1m s ILE 98 Cb -0.08 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.65 3a1m s ILE 98 CO -0.01 0.30 -0.21 -1.81 0.00 0.00 0.00 174.94 173.22 3a1m s ASP 99 N 1.66 3.11 -0.18 3.58 1.11 -1.26 -4.20 116.67 120.49 3a1m s ASP 99 Ca 0.02 -0.63 0.01 0.00 0.18 0.00 0.00 52.55 52.13 3a1m s ASP 99 Cb -0.13 -1.46 0.03 0.00 1.07 0.00 0.00 42.92 42.43 3a1m s ASP 99 CO -0.05 0.03 -0.13 -0.63 1.18 0.00 0.00 175.17 175.57 3a1m s ILE 100 N 1.10 1.68 -1.31 0.77 -1.09 0.33 -4.66 121.20 118.02 3a1m s ILE 100 Ca 0.00 -0.85 -0.04 0.00 -2.23 0.00 0.00 60.65 57.53 3a1m s ILE 100 Cb -0.14 -1.65 0.01 0.00 -1.58 0.00 0.00 42.46 39.11 3a1m s ILE 100 CO -0.09 0.34 0.96 0.61 -1.23 0.00 0.00 174.94 175.53 3a1m n GLY 101 N 4.71 -0.40 3.26 6.18 0.00 -1.26 -1.99 105.19 115.68 3a1m n GLY 101 Ca -0.16 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3a1m n GLY 101 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3a1m n SER 102 N -3.04 -3.22 -4.46 1.61 7.64 -1.26 -4.97 113.62 105.92 3a1m n SER 102 Ca -0.18 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.37 3a1m n SER 102 Cb 0.63 -2.64 -0.13 0.00 -1.01 0.00 0.00 64.21 61.06 3a1m n SER 102 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3a1m s VAL 103 N -1.29 3.20 -0.08 0.44 1.01 -0.84 -5.06 120.40 117.77 3a1m s VAL 103 Ca 0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 3a1m s VAL 103 Cb 0.00 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 3a1m s VAL 103 CO 0.00 0.57 -0.15 1.21 0.00 0.00 0.00 175.10 176.72 3a1m n GLU 104 N 2.72 0.23 -2.85 2.72 2.13 -1.26 -0.52 120.64 123.82 3a1m n GLU 104 Ca -0.18 0.09 -0.42 0.00 0.66 0.00 0.00 57.16 57.32 3a1m n GLU 104 Cb 0.52 -0.90 -0.04 0.00 0.27 0.00 0.00 31.44 31.30 3a1m n GLU 104 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3a1m s GLY 105 N -3.84 1.88 0.00 8.31 0.00 -1.26 -4.79 107.32 107.63 3a1m s GLY 105 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.58 3a1m s GLY 105 CO 0.19 1.82 0.00 1.58 0.00 0.00 0.00 173.10 176.69 3a1m n TYR 106 N 5.76 0.00 -3.69 1.90 4.11 -1.26 -5.15 117.16 118.82 3a1m n TYR 106 Ca 0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.86 3a1m n TYR 106 Cb 0.48 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.71 3a1m n TYR 106 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 3a1m s ILE 107 N 3.92 -0.10 1.01 -3.48 1.01 -1.26 -5.16 121.20 117.14 3a1m s ILE 107 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.64 3a1m s ILE 107 Cb 0.00 -0.59 0.20 0.00 0.01 0.00 0.00 42.46 42.07 3a1m s ILE 107 CO 0.00 0.05 1.08 -2.16 0.00 0.00 0.00 174.94 173.91 3a1m s PRO 108 N 1.54 0.30 0.72 2.79 0.04 -1.26 -5.00 135.00 134.14 3a1m s PRO 108 Ca -0.08 0.62 -0.15 0.00 0.04 0.00 0.00 61.00 61.43 3a1m s PRO 108 Cb -0.09 -1.71 0.04 0.00 0.04 0.00 0.00 34.50 32.77 3a1m s PRO 108 CO -0.12 -2.84 1.20 -2.00 0.04 0.00 0.00 177.00 173.27 3a1m s GLU 109 N -4.87 2.20 0.47 4.56 2.56 -1.26 -5.02 118.70 117.33 3a1m s GLU 109 Ca 0.66 1.74 -0.05 0.00 0.00 0.00 0.00 54.97 57.32 3a1m s GLU 109 Cb -0.20 -1.84 -0.04 0.00 2.00 0.00 0.00 34.13 34.06 3a1m s GLU 109 CO 0.59 -1.79 0.76 0.00 -0.56 0.00 0.00 175.26 174.26 3a1m s ALA 110 N -2.00 3.44 -0.04 6.30 0.00 -1.26 -4.95 121.76 123.25 3a1m s ALA 110 Ca 0.74 -0.55 -0.36 0.00 0.00 0.00 0.00 51.96 51.79 3a1m s ALA 110 Cb -0.29 -2.54 -0.14 0.00 0.00 0.00 0.00 23.12 20.16 3a1m s ALA 110 CO 0.45 -0.31 1.67 -2.30 0.00 0.00 0.00 175.76 175.26 3a1m n PRO 111 N -2.21 1.73 0.00 0.00 -0.02 -1.26 -4.76 135.00 128.48 3a1m n PRO 111 Ca -0.00 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3a1m n PRO 111 Cb 0.55 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3a1m n PRO 111 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3a1m n ARG 112 N 4.75 0.95 -2.11 -0.52 1.74 -1.26 -4.68 116.66 115.53 3a1m n ARG 112 Ca 0.21 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.87 3a1m n ARG 112 Cb 0.23 -1.05 -0.03 0.00 -1.02 0.00 0.00 32.46 30.60 3a1m n ARG 112 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3a1m s ASP 113 N -0.95 6.75 0.00 0.55 1.47 -1.26 -4.89 116.67 118.34 3a1m s ASP 113 Ca 0.00 2.24 -0.00 0.00 1.18 0.00 0.00 52.55 55.97 3a1m s ASP 113 Cb 0.00 -2.56 -0.01 0.00 -0.34 0.00 0.00 42.92 40.02 3a1m s ASP 113 CO 0.00 -0.80 0.32 0.61 0.68 0.00 0.00 175.17 175.99 3a1m n GLY 114 N 3.81 0.80 3.86 2.12 0.00 -1.26 -4.79 105.19 109.72 3a1m n GLY 114 Ca 0.14 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3a1m n GLY 114 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3a1m s GLN 115 N 2.11 2.24 -0.17 1.61 0.74 -1.26 -5.14 119.66 119.79 3a1m s GLN 115 Ca 0.01 -2.11 -0.06 0.00 0.05 0.00 0.00 55.36 53.25 3a1m s GLN 115 Cb 0.01 -1.94 -0.04 0.00 1.10 0.00 0.00 33.01 32.14 3a1m s GLN 115 CO 0.00 -0.52 0.03 0.00 -0.55 0.00 0.00 175.29 174.25 3a1m s ALA 116 N -2.79 3.27 0.17 1.58 0.00 -1.26 -5.02 121.76 117.71 3a1m s ALA 116 Ca 0.27 -0.77 0.10 0.00 0.00 0.00 0.00 51.96 51.56 3a1m s ALA 116 Cb -0.01 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 3a1m s ALA 116 CO 0.16 0.20 -0.23 0.71 0.00 0.00 0.00 175.76 176.61 3a1m s TYR 117 N 0.33 2.13 0.20 0.00 1.51 -1.25 -0.32 117.35 119.95 3a1m s TYR 117 Ca 0.01 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.75 3a1m s TYR 117 Cb -0.13 -1.09 -0.05 0.00 -0.11 0.00 0.00 41.96 40.59 3a1m s TYR 117 CO 0.01 0.40 -0.14 0.14 -1.11 0.00 0.00 175.55 174.85 3a1m s VAL 118 N -1.59 1.70 -0.03 0.71 -7.23 0.91 -4.76 120.40 110.11 3a1m s VAL 118 Ca 0.17 -2.17 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 3a1m s VAL 118 Cb -0.08 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 3a1m s VAL 118 CO 0.08 -0.58 1.01 -0.13 -0.31 0.00 0.00 175.10 175.17 3a1m s ARG 119 N -3.57 4.50 -0.25 4.82 1.81 -1.26 -0.56 118.95 124.45 3a1m s ARG 119 Ca 0.21 1.45 -0.02 0.00 -1.72 0.00 0.00 55.73 55.65 3a1m s ARG 119 Cb -0.01 -3.48 0.13 0.00 -0.45 0.00 0.00 34.95 31.14 3a1m s ARG 119 CO 0.06 -0.17 0.37 0.21 -0.68 0.00 0.00 175.30 175.10 3a1m s LYS 120 N 1.38 0.34 -0.96 3.54 2.47 0.40 -4.94 119.74 121.98 3a1m s LYS 120 Ca 0.52 0.46 -0.12 0.00 -1.56 0.00 0.00 55.97 55.26 3a1m s LYS 120 Cb -0.21 -0.52 0.01 0.00 -1.46 0.00 0.00 37.83 35.66 3a1m s LYS 120 CO 0.25 -0.69 0.67 -0.25 0.16 0.00 0.00 175.35 175.48 3a1m n ASP 121 N 5.36 -5.12 0.00 1.43 8.00 -1.26 -1.25 116.55 123.71 3a1m n ASP 121 Ca -0.03 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.52 3a1m n ASP 121 Cb 0.50 -2.39 0.00 0.00 -0.02 0.00 0.00 41.12 39.21 3a1m n ASP 121 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a1m n GLY 122 N -1.78 0.26 3.10 0.44 0.00 -1.26 -4.98 105.19 100.97 3a1m n GLY 122 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 3a1m n GLY 122 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a1m s GLU 123 N -1.02 0.64 0.04 1.61 2.02 -0.38 -5.11 118.70 116.50 3a1m s GLU 123 Ca 0.00 -1.00 -0.24 0.00 0.02 0.00 0.00 54.97 53.76 3a1m s GLU 123 Cb 0.00 -0.22 -0.06 0.00 0.10 0.00 0.00 34.13 33.95 3a1m s GLU 123 CO 0.00 0.01 0.72 -1.58 0.02 0.00 0.00 175.26 174.43 3a1m s TRP 124 N -2.36 3.73 0.37 1.61 0.52 -1.26 0.15 118.94 121.70 3a1m s TRP 124 Ca -0.01 1.41 0.03 0.00 0.02 0.00 0.00 56.10 57.55 3a1m s TRP 124 Cb -0.03 -2.76 -0.04 0.00 -1.15 0.00 0.00 33.47 29.48 3a1m s TRP 124 CO -0.02 0.30 0.10 0.08 0.02 0.00 0.00 176.95 177.43 3a1m s VAL 125 N -0.13 0.84 0.12 4.03 1.01 0.28 -4.91 120.40 121.63 3a1m s VAL 125 Ca 0.36 -2.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.04 3a1m s VAL 125 Cb -0.20 -2.53 -0.06 0.00 0.00 0.00 0.00 36.38 33.59 3a1m s VAL 125 CO 0.22 0.00 1.01 -0.36 0.00 0.00 0.00 175.10 175.96 3a1m s PHE 126 N -3.27 3.73 -0.01 5.22 0.08 -1.26 -0.06 117.98 122.40 3a1m s PHE 126 Ca 0.29 1.72 -0.18 0.00 0.12 0.00 0.00 56.93 58.88 3a1m s PHE 126 Cb 0.05 -3.13 -0.23 0.00 -0.57 0.00 0.00 43.02 39.15 3a1m s PHE 126 CO 0.14 -0.07 1.16 -0.11 -0.10 0.00 0.00 175.22 176.24 3a1m n LEU 127 N 2.80 0.19 -0.26 -0.37 7.94 0.56 -4.71 117.00 123.14 3a1m n LEU 127 Ca 0.03 -1.12 0.15 0.00 -1.11 0.00 0.00 56.01 53.96 3a1m n LEU 127 Cb 0.48 -0.32 0.72 0.00 0.53 0.00 0.00 43.42 44.83 3a1m n LEU 127 CO 0.52 -1.62 0.98 -0.24 -1.11 0.00 0.00 177.39 175.92