#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 -0.59 3.92 8.31 0.00 -1.26 -5.17 105.19 110.41 3a1m n GLY 18 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.20 5.58 0.35 1.61 0.01 -1.26 -5.11 114.94 115.91 3a1m s ASN 19 Ca 0.00 -0.39 -0.05 0.00 -0.71 0.00 0.00 52.86 51.71 3a1m s ASN 19 Cb 0.00 -1.02 -0.05 0.00 0.41 0.00 0.00 41.25 40.59 3a1m s ASN 19 CO 0.00 -0.44 0.63 -0.83 -1.51 0.00 0.00 177.10 174.95 3a1m s GLY 20 N -4.11 1.77 0.24 0.66 0.00 -1.26 -5.05 107.32 99.57 3a1m s GLY 20 Ca 0.44 -0.52 -0.28 0.00 0.00 0.00 0.00 44.72 44.36 3a1m s GLY 20 CO 0.29 -0.39 0.75 2.41 0.00 0.00 0.00 173.10 176.16 3a1m n THR 21 N -1.28 1.99 -3.39 0.90 -1.04 -1.26 -4.98 114.28 105.21 3a1m n THR 21 Ca -0.01 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.12 3a1m n THR 21 Cb 0.54 -0.47 -0.07 0.00 -1.82 0.00 0.00 70.33 68.51 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 -1.02 5.20 -0.09 12.58 1.01 -1.26 -5.07 121.20 132.55 3a1m s ILE 22 Ca 0.62 0.71 0.04 0.00 0.00 0.00 0.00 60.65 62.01 3a1m s ILE 22 Cb -0.82 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 37.91 3a1m s ILE 22 CO 0.58 0.26 -0.22 -0.76 0.00 0.00 0.00 174.94 174.80 3a1m s LEU 23 N 1.23 2.23 -0.29 2.97 1.02 -1.26 -5.09 118.68 119.49 3a1m s LEU 23 Ca 0.19 -0.48 -0.09 0.00 0.02 0.00 0.00 54.13 53.77 3a1m s LEU 23 Cb -0.15 -1.44 -0.01 0.00 0.02 0.00 0.00 46.19 44.61 3a1m s LEU 23 CO 0.08 0.20 0.12 -0.69 0.02 0.00 0.00 176.35 176.08 3a1m s VAL 24 N 0.13 4.45 -1.26 -1.59 1.01 -1.26 -5.00 120.40 116.88 3a1m s VAL 24 Ca -0.11 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 3a1m s VAL 24 Cb -0.16 -3.23 0.08 0.00 0.00 0.00 0.00 36.38 33.08 3a1m s VAL 24 CO 0.06 0.14 2.51 0.29 0.00 0.00 0.00 175.10 178.10 3a1m n LYS 25 N 4.95 4.27 0.00 2.72 4.76 -1.26 -4.76 118.16 128.84 3a1m n LYS 25 Ca -0.14 -3.18 0.00 0.00 -2.87 0.00 0.00 58.31 52.11 3a1m n LYS 25 Cb 0.50 -2.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.09 3a1m n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3a1m n GLY 26 N 1.87 -0.53 3.84 0.72 0.00 -1.26 -5.14 105.19 104.70 3a1m n GLY 26 Ca 0.63 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 5.67 -0.03 1.61 0.01 -1.26 -5.08 114.94 111.86 3a1m s ASN 27 Ca 0.00 1.49 0.03 0.00 -0.71 0.00 0.00 52.86 53.67 3a1m s ASN 27 Cb 0.00 -2.42 -0.00 0.00 0.41 0.00 0.00 41.25 39.24 3a1m s ASN 27 CO 0.00 -1.24 -0.12 0.54 -1.51 0.00 0.00 177.10 174.77 3a1m s VAL 28 N -3.13 1.02 -0.09 1.60 0.11 -1.26 -5.06 120.40 113.59 3a1m s VAL 28 Ca 0.57 -0.51 0.01 0.00 -2.93 0.00 0.00 61.98 59.12 3a1m s VAL 28 Cb -0.13 -0.89 0.02 0.00 -1.53 0.00 0.00 36.38 33.86 3a1m s VAL 28 CO 0.54 0.30 -0.09 -0.89 -3.33 0.00 0.00 175.10 171.63 3a1m s THR 29 N 0.05 1.07 -0.02 5.04 2.01 -1.26 -5.12 115.64 117.40 3a1m s THR 29 Ca -0.02 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 61.65 3a1m s THR 29 Cb -0.09 -1.04 -0.00 0.00 0.01 0.00 0.00 72.50 71.38 3a1m s THR 29 CO 0.01 0.36 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.57 3a1m s ILE 30 N 1.30 0.81 -0.11 1.82 1.01 -1.26 -5.12 121.20 119.65 3a1m s ILE 30 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.23 3a1m s ILE 30 Cb -0.14 -0.70 0.02 0.00 0.01 0.00 0.00 42.46 41.65 3a1m s ILE 30 CO -0.04 0.24 -0.10 -0.63 0.00 0.00 0.00 174.94 174.42 3a1m s ILE 31 N 0.02 1.17 -0.26 2.92 1.01 -1.26 -5.12 121.20 119.68 3a1m s ILE 31 Ca -0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.17 3a1m s ILE 31 Cb -0.07 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 3a1m s ILE 31 CO 0.00 0.39 0.09 -0.69 0.00 0.00 0.00 174.94 174.73 3a1m s VAL 32 N 1.47 4.39 0.32 2.92 1.01 -1.26 -5.00 120.40 124.25 3a1m s VAL 32 Ca 0.02 -0.20 0.10 0.00 0.00 0.00 0.00 61.98 61.90 3a1m s VAL 32 Cb -0.13 -3.08 0.04 0.00 0.00 0.00 0.00 36.38 33.21 3a1m s VAL 32 CO -0.07 0.29 1.73 -0.33 0.00 0.00 0.00 175.10 176.72 3a1m h GLU 33 N 8.26 0.07 0.00 2.72 5.08 -2.07 -3.45 114.58 125.18 3a1m h GLU 33 Ca -0.37 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 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 0.58 0.52 0.00 0.41 -1.00 0.00 0.00 179.01 179.52 3a1m n GLY 34 N -0.17 3.46 3.84 -3.84 0.00 -1.26 -5.10 105.19 102.12 3a1m n GLY 34 Ca -0.02 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.05 6.73 -0.16 1.61 0.01 -1.26 -5.08 114.94 116.74 3a1m s ASN 35 Ca 0.00 1.45 0.00 0.00 -0.71 0.00 0.00 52.86 53.60 3a1m s ASN 35 Cb 0.00 -2.45 -0.00 0.00 0.41 0.00 0.00 41.25 39.21 3a1m s ASN 35 CO 0.00 -0.39 -0.15 0.00 -1.51 0.00 0.00 177.10 175.05 3a1m s ALA 36 N -2.29 2.50 -0.23 0.60 0.00 -1.26 -5.09 121.76 115.99 3a1m s ALA 36 Ca 0.57 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 51.49 3a1m s ALA 36 Cb -0.10 -1.24 0.05 0.00 0.00 0.00 0.00 23.12 21.84 3a1m s ALA 36 CO 0.23 -0.05 -0.10 -0.51 0.00 0.00 0.00 175.76 175.32 3a1m s ASP 37 N 0.85 3.97 -0.08 0.00 1.01 -1.26 -5.11 116.67 116.05 3a1m s ASP 37 Ca -0.04 -1.18 0.04 0.00 0.71 0.00 0.00 52.55 52.07 3a1m s ASP 37 Cb -0.15 -1.37 -0.01 0.00 1.01 0.00 0.00 42.92 42.40 3a1m s ASP 37 CO -0.01 -0.18 -0.20 -0.63 0.21 0.00 0.00 175.17 174.36 3a1m s ILE 38 N 1.26 2.45 -0.06 0.77 1.01 -1.26 -5.10 121.20 120.27 3a1m s ILE 38 Ca -0.06 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.72 3a1m s ILE 38 Cb -0.18 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.34 3a1m s ILE 38 CO -0.06 0.56 -0.17 -0.89 0.00 0.00 0.00 174.94 174.38 3a1m s THR 39 N -0.01 1.43 -0.13 2.92 2.01 -1.26 -5.11 115.64 115.50 3a1m s THR 39 Ca -0.07 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.28 3a1m s THR 39 Cb -0.15 -1.26 0.01 0.00 0.01 0.00 0.00 72.50 71.11 3a1m s THR 39 CO 0.05 0.42 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.49 3a1m s VAL 40 N 0.33 1.96 -0.47 3.82 1.01 -1.26 -5.02 120.40 120.78 3a1m s VAL 40 Ca -0.11 -0.93 0.23 0.00 0.00 0.00 0.00 61.98 61.18 3a1m s VAL 40 Cb -0.14 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.52 3a1m s VAL 40 CO 0.04 0.53 1.18 0.11 0.00 0.00 0.00 175.10 176.97 3a1m h LYS 41 N 7.23 0.00 0.00 2.72 1.57 -2.06 -3.46 116.57 122.56 3a1m h LYS 41 Ca -0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3a1m h LYS 41 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3a1m h LYS 41 CO 0.53 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.82 3a1m n GLY 42 N 1.27 3.18 3.87 3.86 0.00 -1.26 -5.11 105.19 111.00 3a1m n GLY 42 Ca 0.02 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.22 6.59 -0.06 1.61 1.01 -1.26 -5.08 116.67 119.25 3a1m s ASP 43 Ca 0.00 1.20 0.04 0.00 0.71 0.00 0.00 52.55 54.51 3a1m s ASP 43 Cb 0.00 -2.35 -0.00 0.00 1.01 0.00 0.00 42.92 41.58 3a1m s ASP 43 CO 0.00 -0.37 -0.20 0.00 0.21 0.00 0.00 175.17 174.81 3a1m s ALA 44 N -2.31 1.79 -0.02 5.23 0.00 -1.26 -5.07 121.76 120.12 3a1m s ALA 44 Ca 0.53 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.70 3a1m s ALA 44 Cb -0.10 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.40 3a1m s ALA 44 CO 0.28 0.28 -0.02 0.95 0.00 0.00 0.00 175.76 177.26 3a1m s THR 45 N 0.18 0.24 -0.01 0.00 -4.23 -1.26 -5.15 115.64 105.41 3a1m s THR 45 Ca -0.10 -0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.43 3a1m s THR 45 Cb -0.14 -0.28 -0.01 0.00 1.34 0.00 0.00 72.50 73.41 3a1m s THR 45 CO 0.05 0.12 -0.11 -0.89 -0.54 0.00 0.00 174.62 173.25 3a1m s THR 46 N 0.58 0.86 -0.07 3.99 2.01 -1.26 -5.13 115.64 116.62 3a1m s THR 46 Ca -0.06 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.45 3a1m s THR 46 Cb -0.09 -0.73 0.02 0.00 0.01 0.00 0.00 72.50 71.72 3a1m s THR 46 CO -0.01 0.22 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.87 3a1m s LEU 47 N -0.31 1.13 -0.21 4.42 2.96 -1.26 -5.11 118.68 120.30 3a1m s LEU 47 Ca 0.04 -0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 53.73 3a1m s LEU 47 Cb -0.04 -0.61 -0.00 0.00 0.50 0.00 0.00 46.19 46.03 3a1m s LEU 47 CO -0.00 -0.10 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.15 3a1m s VAL 48 N 1.39 3.02 -0.33 1.68 1.01 -1.26 -5.01 120.40 120.90 3a1m s VAL 48 Ca -0.03 -0.61 0.20 0.00 0.00 0.00 0.00 61.98 61.54 3a1m s VAL 48 Cb -0.13 -2.35 0.21 0.00 0.00 0.00 0.00 36.38 34.10 3a1m s VAL 48 CO -0.03 0.46 1.48 -0.33 0.00 0.00 0.00 175.10 176.67 3a1m h GLU 49 N 8.05 0.00 0.00 2.72 5.08 -2.07 -3.45 114.58 124.91 3a1m h GLU 49 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3a1m h GLU 49 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3a1m h GLU 49 CO 0.61 0.16 0.00 0.41 -1.00 0.00 0.00 179.01 179.19 3a1m n GLY 50 N 1.16 1.92 3.87 -3.84 0.00 -1.26 -5.09 105.19 101.94 3a1m n GLY 50 Ca 0.02 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.99 6.65 -0.09 1.61 0.01 -1.26 -5.09 114.94 115.77 3a1m s ASN 51 Ca 0.00 0.97 0.04 0.00 -0.71 0.00 0.00 52.86 53.17 3a1m s ASN 51 Cb 0.00 -2.25 -0.00 0.00 0.41 0.00 0.00 41.25 39.41 3a1m s ASN 51 CO 0.00 -0.09 -0.24 -1.58 -1.51 0.00 0.00 177.10 173.68 3a1m s GLN 52 N -2.82 2.95 -0.06 -0.60 0.74 -1.26 -5.07 119.66 113.53 3a1m s GLN 52 Ca 0.48 -0.88 -0.01 0.00 0.05 0.00 0.00 55.36 55.00 3a1m s GLN 52 Cb -0.11 -2.28 0.03 0.00 1.10 0.00 0.00 33.01 31.75 3a1m s GLN 52 CO 0.21 0.23 -0.00 0.99 -0.55 0.00 0.00 175.29 176.16 3a1m s THR 53 N 0.23 0.34 -0.11 -0.34 2.01 -1.26 -5.13 115.64 111.38 3a1m s THR 53 Ca -0.15 0.11 0.03 0.00 0.31 0.00 0.00 61.69 61.99 3a1m s THR 53 Cb -0.17 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 71.86 3a1m s THR 53 CO 0.08 0.24 -0.22 0.20 -0.69 0.00 0.00 174.62 174.22 3a1m s ASN 54 N 1.75 2.97 -0.05 3.53 0.02 -1.26 -5.12 114.94 116.78 3a1m s ASN 54 Ca 0.01 -0.55 0.04 0.00 -1.02 0.00 0.00 52.86 51.35 3a1m s ASN 54 Cb -0.13 -1.36 -0.00 0.00 0.02 0.00 0.00 41.25 39.78 3a1m s ASN 54 CO -0.04 0.12 -0.18 -0.89 0.02 0.00 0.00 177.10 176.13 3a1m s THR 55 N 0.53 1.50 -0.07 1.60 2.01 -1.26 -5.12 115.64 114.83 3a1m s THR 55 Ca -0.15 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.11 3a1m s THR 55 Cb -0.17 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 71.07 3a1m s THR 55 CO 0.05 0.43 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.64 3a1m s VAL 56 N 0.05 0.88 -0.59 3.82 1.01 -1.26 -5.03 120.40 119.27 3a1m s VAL 56 Ca -0.05 -0.28 0.24 0.00 0.00 0.00 0.00 61.98 61.89 3a1m s VAL 56 Cb -0.12 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.40 3a1m s VAL 56 CO 0.03 0.32 1.23 0.78 0.00 0.00 0.00 175.10 177.45 3a1m h ASN 57 N 7.48 0.00 0.00 3.32 2.35 -2.07 -3.46 115.58 123.20 3a1m h ASN 57 Ca -0.31 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.21 3a1m h ASN 57 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 3a1m h ASN 57 CO 0.44 0.11 0.00 0.61 -1.65 0.00 0.00 177.43 176.94 3a1m n GLY 58 N 1.33 0.93 3.80 2.83 0.00 -1.26 -5.11 105.19 107.70 3a1m n GLY 58 Ca 0.03 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.60 5.65 -0.17 1.61 0.01 -1.26 -5.11 114.94 115.07 3a1m s ASN 59 Ca 0.00 0.03 -0.04 0.00 -0.71 0.00 0.00 52.86 52.14 3a1m s ASN 59 Cb 0.00 -1.55 -0.03 0.00 0.41 0.00 0.00 41.25 40.08 3a1m s ASN 59 CO 0.00 0.17 -0.03 -0.22 -1.51 0.00 0.00 177.10 175.51 3a1m s LEU 60 N -2.43 3.26 -0.09 0.60 2.96 -1.26 -5.08 118.68 116.64 3a1m s LEU 60 Ca 0.30 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 3a1m s LEU 60 Cb -0.12 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.79 3a1m s LEU 60 CO 0.23 0.15 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.83 3a1m s SER 61 N 0.51 2.17 -0.13 3.68 0.01 -1.26 -5.13 113.70 113.55 3a1m s SER 61 Ca -0.03 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 56.87 3a1m s SER 61 Cb -0.14 -0.97 -0.01 0.00 0.21 0.00 0.00 66.02 65.11 3a1m s SER 61 CO 0.03 0.02 -0.15 0.26 0.41 0.00 0.00 173.24 173.80 3a1m s TRP 62 N 0.86 2.76 -0.15 2.43 0.52 -1.26 -5.11 118.94 118.98 3a1m s TRP 62 Ca -0.10 -0.76 0.00 0.00 0.02 0.00 0.00 56.10 55.26 3a1m s TRP 62 Cb -0.15 -1.82 0.03 0.00 -1.15 0.00 0.00 33.47 30.37 3a1m s TRP 62 CO 0.01 -0.28 -0.12 0.15 0.02 0.00 0.00 176.95 176.73 3a1m s LYS 63 N 0.40 2.09 -0.16 4.98 1.02 -1.26 -5.11 119.74 121.71 3a1m s LYS 63 Ca -0.12 -0.57 -0.00 0.00 0.02 0.00 0.00 55.97 55.30 3a1m s LYS 63 Cb -0.16 -2.09 0.04 0.00 -0.52 0.00 0.00 37.83 35.09 3a1m s LYS 63 CO 0.06 -0.29 -0.08 0.08 -0.92 0.00 0.00 175.35 174.20 3a1m s VAL 64 N 1.51 1.27 0.14 3.17 1.01 -1.26 -5.01 120.40 121.22 3a1m s VAL 64 Ca 0.04 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 3a1m s VAL 64 Cb -0.14 -1.35 -0.11 0.00 0.00 0.00 0.00 36.38 34.78 3a1m s VAL 64 CO -0.10 0.23 1.39 0.00 0.00 0.00 0.00 175.10 176.63 3a1m h ALA 65 N 8.09 0.48 -3.00 5.51 0.00 -2.08 -3.45 119.26 124.81 3a1m h ALA 65 Ca -0.28 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.06 3a1m h ALA 65 Cb 1.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3a1m h ALA 65 CO 0.44 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.80 3a1m n GLY 66 N 0.51 1.54 3.94 0.00 0.00 -1.26 -5.09 105.19 104.84 3a1m n GLY 66 Ca -0.05 -1.65 -0.24 0.00 0.00 0.00 0.00 46.02 44.08 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 2.78 4.19 -0.10 2.61 -4.23 -1.26 -5.10 115.64 114.53 3a1m s THR 67 Ca 0.00 -0.34 0.04 0.00 -1.18 0.00 0.00 61.69 60.21 3a1m s THR 67 Cb 0.00 -3.57 -0.00 0.00 1.34 0.00 0.00 72.50 70.27 3a1m s THR 67 CO 0.00 -0.44 -0.24 -0.69 -0.54 0.00 0.00 174.62 172.71 3a1m s VAL 68 N -2.61 2.06 -0.05 2.29 1.01 -1.26 -5.05 120.40 116.79 3a1m s VAL 68 Ca 0.48 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3a1m s VAL 68 Cb -0.10 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.52 3a1m s VAL 68 CO 0.39 0.56 -0.08 -0.62 0.00 0.00 0.00 175.10 175.36 3a1m s ASP 69 N 0.30 1.31 -0.13 3.32 2.15 -1.26 -5.13 116.67 117.24 3a1m s ASP 69 Ca -0.18 -0.20 0.02 0.00 0.43 0.00 0.00 52.55 52.62 3a1m s ASP 69 Cb -0.18 -0.61 0.00 0.00 -0.30 0.00 0.00 42.92 41.84 3a1m s ASP 69 CO 0.09 -0.02 -0.21 0.26 -0.17 0.00 0.00 175.17 175.12 3a1m s TRP 70 N 0.84 2.67 -0.28 -5.34 0.52 -1.26 -5.10 118.94 110.99 3a1m s TRP 70 Ca -0.12 -1.19 0.02 0.00 0.02 0.00 0.00 56.10 54.83 3a1m s TRP 70 Cb -0.15 -1.81 0.07 0.00 -1.15 0.00 0.00 33.47 30.44 3a1m s TRP 70 CO 0.01 -0.53 -0.03 0.34 0.02 0.00 0.00 176.95 176.76 3a1m s ASP 71 N 0.69 4.31 -0.21 2.95 2.15 -1.26 -5.10 116.67 120.20 3a1m s ASP 71 Ca -0.10 -1.54 -0.02 0.00 0.43 0.00 0.00 52.55 51.33 3a1m s ASP 71 Cb -0.16 -1.40 0.01 0.00 -0.30 0.00 0.00 42.92 41.07 3a1m s ASP 71 CO 0.01 -0.27 -0.10 -0.69 -0.17 0.00 0.00 175.17 173.95 3a1m s VAL 72 N 1.18 2.81 0.16 1.11 1.01 -1.26 -5.01 120.40 120.41 3a1m s VAL 72 Ca -0.01 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 3a1m s VAL 72 Cb -0.19 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3a1m s VAL 72 CO -0.08 0.43 1.55 1.23 0.00 0.00 0.00 175.10 178.23 3a1m h GLY 73 N 8.03 1.07 0.00 4.51 0.00 -2.08 -3.47 103.07 111.13 3a1m h GLY 73 Ca -0.42 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 45.98 3a1m h GLY 73 CO 0.61 0.85 0.00 0.61 0.00 0.00 0.00 176.54 178.61 3a1m n GLY 74 N -0.13 3.96 3.74 4.60 0.00 -1.26 -5.10 105.19 111.00 3a1m n GLY 74 Ca 0.00 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.32 6.80 -0.23 1.61 1.01 -1.26 -5.03 116.67 119.25 3a1m s ASP 75 Ca 0.00 2.50 -0.11 0.00 0.71 0.00 0.00 52.55 55.65 3a1m s ASP 75 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 3a1m s ASP 75 CO 0.00 -0.60 0.18 0.86 0.21 0.00 0.00 175.17 175.82 3a1m s TRP 76 N 0.12 3.33 -0.05 4.23 -0.11 -1.26 -5.09 118.94 120.10 3a1m s TRP 76 Ca 0.58 0.27 0.03 0.00 1.22 0.00 0.00 56.10 58.20 3a1m s TRP 76 Cb -0.39 -2.28 0.01 0.00 -1.50 0.00 0.00 33.47 29.31 3a1m s TRP 76 CO 0.40 0.08 -0.13 0.99 -4.62 0.00 0.00 176.95 173.67 3a1m s THR 77 N 1.01 1.15 -0.01 5.86 2.01 -1.26 -5.14 115.64 119.28 3a1m s THR 77 Ca 0.09 -0.52 -0.11 0.00 0.31 0.00 0.00 61.69 61.45 3a1m s THR 77 Cb -0.13 -1.03 0.01 0.00 0.01 0.00 0.00 72.50 71.36 3a1m s THR 77 CO 0.04 0.35 0.22 -1.83 -0.69 0.00 0.00 174.62 172.72 3a1m s GLU 78 N 0.39 0.58 -0.01 4.92 -1.05 -1.26 -5.15 118.70 117.12 3a1m s GLU 78 Ca -0.09 -0.30 -0.02 0.00 -0.15 0.00 0.00 54.97 54.41 3a1m s GLU 78 Cb -0.13 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 3a1m s GLU 78 CO 0.03 -0.15 0.05 0.15 0.95 0.00 0.00 175.26 176.28 3a1m s LYS 79 N -1.36 0.11 0.19 -4.83 1.02 -1.26 -5.16 119.74 108.45 3a1m s LYS 79 Ca -0.14 -0.04 -0.21 0.00 0.02 0.00 0.00 55.97 55.59 3a1m s LYS 79 Cb -0.06 0.05 0.05 0.00 -0.52 0.00 0.00 37.83 37.34 3a1m s LYS 79 CO 0.03 -0.02 0.61 0.00 -0.92 0.00 0.00 175.35 175.05 3a1m s MET 80 N -0.24 1.41 0.11 1.68 0.23 -1.26 -5.06 119.30 116.18 3a1m s MET 80 Ca -0.03 -0.66 -0.12 0.00 -1.03 0.00 0.00 55.69 53.85 3a1m s MET 80 Cb -0.02 0.58 -0.13 0.00 -1.53 0.00 0.00 34.83 33.74 3a1m s MET 80 CO 0.00 -0.62 1.34 0.00 -2.03 0.00 0.00 175.02 173.71 3a1m h ALA 81 N 2.04 0.37 -2.79 3.16 0.00 -2.09 -3.46 119.26 116.49 3a1m h ALA 81 Ca -0.29 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.00 3a1m h ALA 81 Cb 1.29 -0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 3a1m h ALA 81 CO 0.34 0.68 0.08 -1.54 0.00 0.00 0.00 179.25 178.82 3a1m s SER 82 N -7.06 -0.43 -0.08 0.00 1.04 -1.26 -5.17 113.70 100.74 3a1m s SER 82 Ca -0.10 -0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.32 3a1m s SER 82 Cb 0.09 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.75 3a1m s SER 82 CO 0.90 -0.87 -0.21 -0.32 0.98 0.00 0.00 173.24 173.72 3a1m s MET 83 N -3.42 2.59 -0.17 4.02 0.00 -1.26 -5.10 119.30 115.95 3a1m s MET 83 Ca -0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 55.69 54.91 3a1m s MET 83 Cb 0.00 -2.03 0.04 0.00 0.00 0.00 0.00 34.83 32.84 3a1m s MET 83 CO -0.10 0.19 -0.04 0.45 0.00 0.00 0.00 175.02 175.52 3a1m s SER 84 N 0.28 2.88 -0.28 1.11 0.15 -1.26 -5.11 113.70 111.48 3a1m s SER 84 Ca -0.14 -0.70 -0.01 0.00 0.70 0.00 0.00 55.95 55.80 3a1m s SER 84 Cb -0.16 -0.89 0.09 0.00 -1.71 0.00 0.00 66.02 63.35 3a1m s SER 84 CO 0.06 -0.20 0.07 -0.55 1.20 0.00 0.00 173.24 173.82 3a1m s SER 85 N 1.65 3.88 -0.13 5.45 0.15 -1.26 -5.11 113.70 118.33 3a1m s SER 85 Ca 0.00 -1.49 0.02 0.00 0.70 0.00 0.00 55.95 55.18 3a1m s SER 85 Cb -0.16 -0.91 0.02 0.00 -1.71 0.00 0.00 66.02 63.26 3a1m s SER 85 CO -0.07 -0.37 -0.16 -0.63 1.20 0.00 0.00 173.24 173.20 3a1m s ILE 86 N 1.58 1.65 -0.05 6.45 1.01 -1.26 -5.12 121.20 125.45 3a1m s ILE 86 Ca 0.06 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 3a1m s ILE 86 Cb -0.18 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 3a1m s ILE 86 CO -0.19 0.47 0.10 -0.94 0.00 0.00 0.00 174.94 174.38 3a1m s SER 87 N 1.08 5.87 0.20 3.58 1.04 -1.26 -4.99 113.70 119.23 3a1m s SER 87 Ca -0.03 0.26 -0.10 0.00 0.48 0.00 0.00 55.95 56.55 3a1m s SER 87 Cb -0.14 -1.76 0.15 0.00 0.10 0.00 0.00 66.02 64.36 3a1m s SER 87 CO -0.04 0.32 1.85 0.28 0.98 0.00 0.00 173.24 176.64 3a1m h SER 88 N 4.47 0.87 0.00 7.02 0.02 -2.07 -3.46 113.55 120.41 3a1m h SER 88 Ca -0.51 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 3a1m h SER 88 Cb 1.20 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.52 3a1m h SER 88 CO 0.61 0.67 0.00 0.61 -1.14 0.00 0.00 176.83 177.57 3a1m n GLY 89 N -1.21 3.45 3.78 -3.77 0.00 -1.26 -5.10 105.19 101.07 3a1m n GLY 89 Ca 0.07 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 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 4.94 3.93 -0.14 1.61 1.11 -1.26 -5.04 119.66 124.81 3a1m s GLN 90 Ca 0.00 1.66 -0.01 0.00 0.01 0.00 0.00 55.36 57.03 3a1m s GLN 90 Cb 0.00 -2.46 0.03 0.00 -1.01 0.00 0.00 33.01 29.57 3a1m s GLN 90 CO 0.00 -0.38 -0.06 -0.47 0.01 0.00 0.00 175.29 174.39 3a1m s TYR 91 N -1.60 1.55 -0.07 0.91 5.04 -1.26 -4.92 117.35 117.01 3a1m s TYR 91 Ca 0.61 -0.88 0.03 0.00 -2.44 0.00 0.00 57.07 54.39 3a1m s TYR 91 Cb -0.26 -1.26 0.01 0.00 0.35 0.00 0.00 41.96 40.81 3a1m s TYR 91 CO 0.32 -0.56 -0.14 0.99 -1.34 0.00 0.00 175.55 174.82 3a1m s THR 92 N 1.68 1.27 -0.04 4.34 2.01 -1.26 -5.12 115.64 118.52 3a1m s THR 92 Ca 0.03 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.51 3a1m s THR 92 Cb -0.14 -1.14 -0.01 0.00 0.01 0.00 0.00 72.50 71.23 3a1m s THR 92 CO -0.08 0.38 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.43 3a1m s ILE 93 N 0.53 1.39 0.07 1.82 1.01 -1.26 -5.14 121.20 119.63 3a1m s ILE 93 Ca -0.13 -0.71 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 3a1m s ILE 93 Cb -0.15 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 3a1m s ILE 93 CO 0.04 0.40 0.15 -0.62 0.00 0.00 0.00 174.94 174.92 3a1m s ASP 94 N -0.05 0.16 -0.01 3.58 2.15 -1.26 -5.17 116.67 116.07 3a1m s ASP 94 Ca -0.01 -0.64 -0.29 0.00 0.43 0.00 0.00 52.55 52.03 3a1m s ASP 94 Cb -0.10 0.30 0.10 0.00 -0.30 0.00 0.00 42.92 42.92 3a1m s ASP 94 CO 0.01 -0.67 1.03 -0.83 -0.17 0.00 0.00 175.17 174.55 3a1m s GLY 95 N -2.68 -0.36 0.33 2.66 0.00 -1.26 -5.03 107.32 100.98 3a1m s GLY 95 Ca 0.03 0.87 0.14 0.00 0.00 0.00 0.00 44.72 45.75 3a1m s GLY 95 CO -0.09 0.26 1.72 1.48 0.00 0.00 0.00 173.10 176.47 3a1m h SER 96 N 2.00 0.00 -4.45 1.64 4.64 -2.08 -3.43 113.55 111.87 3a1m h SER 96 Ca -0.21 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.92 3a1m h SER 96 Cb 1.22 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.07 3a1m h SER 96 CO 0.27 0.47 -0.68 -0.13 -0.87 0.00 0.00 176.83 175.90 3a1m s ARG 97 N -3.79 0.21 -0.12 4.77 0.52 -1.26 -5.15 118.95 114.13 3a1m s ARG 97 Ca -0.01 -0.32 -0.01 0.00 -0.52 0.00 0.00 55.73 54.87 3a1m s ARG 97 Cb 0.13 0.08 0.03 0.00 0.52 0.00 0.00 34.95 35.70 3a1m s ARG 97 CO 0.73 -0.04 -0.06 0.42 0.02 0.00 0.00 175.30 176.38 3a1m s ILE 98 N -0.83 0.91 -0.14 1.52 1.01 -1.26 -5.11 121.20 117.31 3a1m s ILE 98 Ca -0.09 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.30 3a1m s ILE 98 Cb -0.06 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.43 3a1m s ILE 98 CO -0.00 0.30 -0.22 -1.81 0.00 0.00 0.00 174.94 173.21 3a1m s ASP 99 N 1.75 3.08 -0.21 3.58 1.11 -1.26 -4.22 116.67 120.49 3a1m s ASP 99 Ca 0.04 -0.60 0.00 0.00 0.18 0.00 0.00 52.55 52.17 3a1m s ASP 99 Cb -0.13 -1.43 0.05 0.00 1.07 0.00 0.00 42.92 42.48 3a1m s ASP 99 CO -0.08 0.07 -0.05 -0.63 1.18 0.00 0.00 175.17 175.67 3a1m s ILE 100 N 0.84 1.38 -0.99 0.77 1.01 -0.12 -4.69 121.20 119.39 3a1m s ILE 100 Ca -0.07 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 59.53 3a1m s ILE 100 Cb -0.15 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.70 3a1m s ILE 100 CO -0.02 -0.03 0.85 0.61 0.00 0.00 0.00 174.94 176.34 3a1m n GLY 101 N 4.74 -0.20 4.53 6.18 0.00 -1.26 -2.55 105.19 116.63 3a1m n GLY 101 Ca -0.12 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.42 0.00 -4.84 1.61 7.64 -1.26 -4.97 113.62 109.37 3a1m n SER 102 Ca -0.13 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.39 3a1m n SER 102 Cb 0.60 -1.24 -0.06 0.00 -1.01 0.00 0.00 64.21 62.50 3a1m n SER 102 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3a1m s VAL 103 N -1.43 5.19 -0.14 0.44 -7.23 -1.06 -5.04 120.40 111.13 3a1m s VAL 103 Ca 0.00 -0.04 -0.05 0.00 -1.81 0.00 0.00 61.98 60.08 3a1m s VAL 103 Cb 0.00 -3.30 -0.07 0.00 0.56 0.00 0.00 36.38 33.57 3a1m s VAL 103 CO 0.00 0.51 -0.17 1.21 -0.31 0.00 0.00 175.10 176.35 3a1m n GLU 104 N 1.66 0.31 -3.33 4.82 2.13 -1.26 -0.95 120.64 124.02 3a1m n GLU 104 Ca -0.17 0.12 -0.38 0.00 0.66 0.00 0.00 57.16 57.39 3a1m n GLU 104 Cb 0.54 -1.08 -0.07 0.00 0.27 0.00 0.00 31.44 31.09 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 -5.27 2.12 0.03 8.31 0.00 -1.26 -4.76 107.32 106.48 3a1m s GLY 105 Ca -0.20 -0.44 0.03 0.00 0.00 0.00 0.00 44.72 44.12 3a1m s GLY 105 CO 0.27 0.90 -0.11 -2.52 0.00 0.00 0.00 173.10 171.64 3a1m s TYR 106 N 1.32 0.92 -0.01 1.90 -0.00 -1.26 -5.14 117.35 115.08 3a1m s TYR 106 Ca 0.22 -0.34 -0.20 0.00 -0.00 0.00 0.00 57.07 56.74 3a1m s TYR 106 Cb -0.15 -0.55 -0.05 0.00 -0.00 0.00 0.00 41.96 41.21 3a1m s TYR 106 CO 0.09 -0.01 0.59 0.42 -0.00 0.00 0.00 175.55 176.64 3a1m s ILE 107 N -0.86 4.93 0.85 -3.49 1.01 -1.26 -5.08 121.20 117.30 3a1m s ILE 107 Ca -0.02 1.23 -0.10 0.00 0.00 0.00 0.00 60.65 61.76 3a1m s ILE 107 Cb -0.07 -3.92 0.11 0.00 0.01 0.00 0.00 42.46 38.58 3a1m s ILE 107 CO 0.01 0.41 1.12 -2.16 0.00 0.00 0.00 174.94 174.32 3a1m s PRO 108 N -0.15 1.57 0.44 2.79 0.04 -1.26 -5.01 135.00 133.41 3a1m s PRO 108 Ca 0.31 1.36 -0.26 0.00 0.04 0.00 0.00 61.00 62.45 3a1m s PRO 108 Cb -0.18 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 3a1m s PRO 108 CO 0.17 -2.19 1.41 -2.00 0.04 0.00 0.00 177.00 174.43 3a1m s GLU 109 N -4.77 3.76 0.72 4.56 2.56 -1.26 -4.99 118.70 119.28 3a1m s GLU 109 Ca 0.64 2.39 -0.11 0.00 0.00 0.00 0.00 54.97 57.89 3a1m s GLU 109 Cb -0.20 -2.70 0.02 0.00 2.00 0.00 0.00 34.13 33.25 3a1m s GLU 109 CO 0.57 -0.74 1.07 0.00 -0.56 0.00 0.00 175.26 175.60 3a1m s ALA 110 N -1.20 2.64 -0.16 6.30 0.00 -1.26 -4.87 121.76 123.20 3a1m s ALA 110 Ca 0.60 -0.09 -0.40 0.00 0.00 0.00 0.00 51.96 52.07 3a1m s ALA 110 Cb -0.43 -3.12 -0.17 0.00 0.00 0.00 0.00 23.12 19.40 3a1m s ALA 110 CO 0.56 -1.29 1.55 -2.30 0.00 0.00 0.00 175.76 174.28 3a1m n PRO 111 N -3.15 0.96 -2.49 0.00 -0.02 -1.26 -4.73 135.00 124.30 3a1m n PRO 111 Ca 0.07 0.35 -0.40 0.00 -2.02 0.00 0.00 63.50 61.50 3a1m n PRO 111 Cb 0.55 -1.99 -0.01 0.00 -0.02 0.00 0.00 33.50 32.03 3a1m n PRO 111 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3a1m s ARG 112 N 2.24 3.67 0.00 -0.52 6.06 -1.26 -4.57 118.95 124.56 3a1m s ARG 112 Ca 0.94 -1.70 0.00 0.00 -2.50 0.00 0.00 55.73 52.47 3a1m s ARG 112 Cb -1.09 -5.46 0.00 0.00 0.06 0.00 0.00 34.95 28.46 3a1m s ARG 112 CO 0.61 -2.54 0.00 -3.47 -2.50 0.00 0.00 175.30 167.39 3a1m n ASP 113 N 9.53 0.00 0.00 -2.12 2.03 -1.26 -5.07 116.55 119.66 3a1m n ASP 113 Ca 0.46 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.77 3a1m n ASP 113 Cb 0.47 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 3a1m n ASP 113 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3a1m n GLY 114 N 3.32 0.82 3.88 0.27 0.00 -1.26 -5.15 105.19 107.07 3a1m n GLY 114 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3a1m n GLY 114 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a1m s GLN 115 N 0.00 2.31 -0.20 1.61 1.11 -1.26 -5.12 119.66 118.10 3a1m s GLN 115 Ca 0.00 -1.89 -0.07 0.00 0.01 0.00 0.00 55.36 53.40 3a1m s GLN 115 Cb 0.00 -2.15 -0.04 0.00 -1.01 0.00 0.00 33.01 29.82 3a1m s GLN 115 CO 0.00 -0.47 0.07 0.00 0.01 0.00 0.00 175.29 174.90 3a1m s ALA 116 N -2.69 3.33 0.03 6.09 0.00 -1.26 -5.01 121.76 122.25 3a1m s ALA 116 Ca 0.38 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.52 3a1m s ALA 116 Cb -0.02 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 3a1m s ALA 116 CO 0.23 -0.02 -0.04 0.71 0.00 0.00 0.00 175.76 176.64 3a1m s TYR 117 N 0.74 2.94 0.34 0.00 1.51 -1.22 -4.25 117.35 117.41 3a1m s TYR 117 Ca 0.03 -0.02 0.07 0.00 -1.01 0.00 0.00 57.07 56.15 3a1m s TYR 117 Cb -0.13 -1.59 -0.02 0.00 -0.11 0.00 0.00 41.96 40.11 3a1m s TYR 117 CO 0.02 0.42 0.41 0.14 -1.11 0.00 0.00 175.55 175.43 3a1m s VAL 118 N -1.11 3.76 -0.27 0.71 -7.23 -1.11 -4.95 120.40 110.20 3a1m s VAL 118 Ca 0.20 -1.15 -0.11 0.00 -1.81 0.00 0.00 61.98 59.11 3a1m s VAL 118 Cb -0.11 -3.29 -0.05 0.00 0.56 0.00 0.00 36.38 33.49 3a1m s VAL 118 CO 0.11 -0.15 0.19 -0.60 -0.31 0.00 0.00 175.10 174.34 3a1m s ARG 119 N -4.11 3.97 -0.19 4.82 6.06 -1.26 -1.99 118.95 126.25 3a1m s ARG 119 Ca 0.44 -0.31 -0.05 0.00 -2.50 0.00 0.00 55.73 53.32 3a1m s ARG 119 Cb -0.08 -3.64 0.09 0.00 0.06 0.00 0.00 34.95 31.38 3a1m s ARG 119 CO 0.29 -0.14 0.34 -1.59 -2.50 0.00 0.00 175.30 171.71 3a1m s LYS 120 N 1.64 0.26 -0.70 5.12 -2.85 0.08 -4.93 119.74 118.36 3a1m s LYS 120 Ca 0.07 0.76 -0.02 0.00 -1.00 0.00 0.00 55.97 55.78 3a1m s LYS 120 Cb -0.16 -0.10 0.00 0.00 -2.06 0.00 0.00 37.83 35.51 3a1m s LYS 120 CO 0.10 -0.39 0.60 -0.25 0.10 0.00 0.00 175.35 175.51 3a1m n ASP 121 N 5.37 -3.12 0.00 0.03 8.00 -1.26 -2.63 116.55 122.94 3a1m n ASP 121 Ca -0.06 -0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.12 3a1m n ASP 121 Cb 0.50 -3.01 0.00 0.00 -0.02 0.00 0.00 41.12 38.59 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 -1.19 0.51 3.26 0.44 0.00 -1.26 -4.99 105.19 101.95 3a1m n GLY 122 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.51 1.09 -0.64 1.61 2.02 -1.08 -5.09 118.70 116.10 3a1m s GLU 123 Ca 0.00 -1.44 -0.21 0.00 0.02 0.00 0.00 54.97 53.34 3a1m s GLU 123 Cb 0.00 -0.73 0.09 0.00 0.10 0.00 0.00 34.13 33.59 3a1m s GLU 123 CO 0.00 0.10 0.84 -1.58 0.02 0.00 0.00 175.26 174.65 3a1m s TRP 124 N -3.11 2.86 0.74 1.61 0.52 -1.26 -0.74 118.94 119.56 3a1m s TRP 124 Ca 0.16 -0.80 -0.11 0.00 0.02 0.00 0.00 56.10 55.37 3a1m s TRP 124 Cb 0.01 -4.15 0.03 0.00 -1.15 0.00 0.00 33.47 28.21 3a1m s TRP 124 CO 0.02 -1.47 1.07 0.08 0.02 0.00 0.00 176.95 176.68 3a1m s VAL 125 N 3.30 3.65 0.19 4.03 1.01 -0.84 -4.93 120.40 126.81 3a1m s VAL 125 Ca 0.17 0.54 -0.06 0.00 0.00 0.00 0.00 61.98 62.62 3a1m s VAL 125 Cb -0.20 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 32.99 3a1m s VAL 125 CO 0.07 -0.70 1.59 0.15 0.00 0.00 0.00 175.10 176.21 3a1m h PHE 126 N -0.91 0.97 0.00 5.22 3.57 -1.89 -2.94 116.94 120.95 3a1m h PHE 126 Ca -0.44 -0.24 0.00 0.00 3.53 0.00 0.00 57.97 60.82 3a1m h PHE 126 Cb 1.23 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.74 3a1m h PHE 126 CO 0.58 1.00 0.00 -0.11 -2.23 0.00 0.00 178.31 177.55 3a1m n LEU 127 N -4.10 0.00 0.00 0.59 0.00 -1.26 -3.43 117.00 108.80 3a1m n LEU 127 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3a1m n LEU 127 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.88 3a1m n LEU 127 CO 0.46 0.00 0.00 -0.24 0.00 0.00 0.00 177.39 177.61