#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h0j s LYS 10 N 0.00 0.69 -0.18 1.61 2.20 -0.87 -1.57 119.74 121.62 2h0j s LYS 10 Ca 0.00 0.27 -0.00 0.00 -0.36 0.00 0.00 55.97 55.87 2h0j s LYS 10 Cb 0.00 0.32 0.05 0.00 -1.51 0.00 0.00 37.83 36.69 2h0j s LYS 10 CO 0.00 -0.16 -0.05 -1.17 -0.36 0.00 0.00 175.35 173.61 2h0j s LEU 11 N -0.61 1.80 0.38 5.43 2.96 -0.66 0.09 118.68 128.08 2h0j s LEU 11 Ca -0.07 -0.78 0.07 0.00 -0.22 0.00 0.00 54.13 53.14 2h0j s LEU 11 Cb -0.03 -0.97 -0.07 0.00 0.50 0.00 0.00 46.19 45.61 2h0j s LEU 11 CO 0.04 -0.20 -0.01 0.42 -1.32 0.00 0.00 176.35 175.28 2h0j s THR 12 N 1.59 1.97 0.00 3.68 -4.23 0.28 -1.82 115.64 117.11 2h0j s THR 12 Ca -0.01 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 2h0j s THR 12 Cb -0.16 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.80 2h0j s THR 12 CO -0.08 -0.06 0.00 1.07 -0.54 0.00 0.00 174.62 175.02 2h0j n THR 13 N -0.89 0.00 0.00 3.99 5.66 -1.26 -1.86 114.28 119.92 2h0j n THR 13 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 2h0j n THR 13 Cb 0.66 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.44 2h0j n THR 13 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 2h0j n HIS 14 N 0.00 0.00 -5.00 1.09 -0.00 -1.26 -4.81 115.22 105.25 2h0j n HIS 14 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.40 2h0j n HIS 14 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 29.82 2h0j n HIS 14 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2h0j s ILE 15 N -0.24 2.02 -0.14 3.57 1.01 -0.75 0.11 121.20 126.78 2h0j s ILE 15 Ca 0.00 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.67 2h0j s ILE 15 Cb 0.00 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 2h0j s ILE 15 CO 0.00 0.55 -0.16 -0.76 0.00 0.00 0.00 174.94 174.57 2h0j s LEU 16 N 0.53 2.48 -0.73 2.97 2.01 -0.75 -1.64 118.68 123.54 2h0j s LEU 16 Ca -0.14 -0.44 -0.22 0.00 0.01 0.00 0.00 54.13 53.33 2h0j s LEU 16 Cb -0.17 -1.55 0.08 0.00 0.01 0.00 0.00 46.19 44.56 2h0j s LEU 16 CO 0.05 0.12 1.03 -0.62 1.01 0.00 0.00 176.35 177.94 2h0j s ASP 17 N 0.60 6.27 0.00 2.29 -1.08 -0.52 -1.06 116.67 123.16 2h0j s ASP 17 Ca -0.09 -1.17 0.10 0.00 -0.52 0.00 0.00 52.55 50.86 2h0j s ASP 17 Cb -0.16 -2.43 0.57 0.00 -1.46 0.00 0.00 42.92 39.44 2h0j s ASP 17 CO 0.03 -1.40 0.99 0.18 0.52 0.00 0.00 175.17 175.49 2h0j n LEU 18 N 7.66 0.00 -0.07 -1.34 4.77 -0.50 -0.06 117.00 127.46 2h0j n LEU 18 Ca 0.03 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.87 2h0j n LEU 18 Cb 0.47 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 2h0j n LEU 18 CO 0.62 0.00 -1.01 0.41 -1.33 0.00 0.00 177.39 176.09 2h0j n THR 19 N -0.89 1.54 0.64 -5.08 -1.04 -1.26 -4.39 114.28 103.80 2h0j n THR 19 Ca 0.07 -0.73 0.06 0.00 -2.04 0.00 0.00 64.05 61.41 2h0j n THR 19 Cb 0.03 -1.08 -0.07 0.00 -1.82 0.00 0.00 70.33 67.39 2h0j n THR 19 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2h0j n GLY 21 N 1.31 0.91 3.28 0.00 0.00 0.92 -5.01 105.19 106.60 2h0j n GLY 21 Ca 0.03 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 2h0j n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h0j s LYS 22 N -3.33 1.13 0.39 1.61 -0.14 -1.18 -4.95 119.74 113.27 2h0j s LYS 22 Ca 0.00 -1.30 -0.28 0.00 -1.36 0.00 0.00 55.97 53.03 2h0j s LYS 22 Cb 0.00 -1.09 -0.11 0.00 -1.68 0.00 0.00 37.83 34.95 2h0j s LYS 22 CO 0.00 0.22 1.48 -2.30 -0.76 0.00 0.00 175.35 173.99 2h0j n PRO 23 N 0.46 2.62 -2.87 -1.68 -0.02 -1.26 -1.44 135.00 130.80 2h0j n PRO 23 Ca -0.15 0.92 -0.42 0.00 -2.02 0.00 0.00 63.50 61.83 2h0j n PRO 23 Cb 0.57 -2.66 -0.04 0.00 -0.02 0.00 0.00 33.50 31.34 2h0j n PRO 23 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2h0j s ALA 24 N -1.13 3.48 0.14 3.55 0.00 -0.65 -4.72 121.76 122.43 2h0j s ALA 24 Ca 0.54 -0.41 0.06 0.00 0.00 0.00 0.00 51.96 52.15 2h0j s ALA 24 Cb -0.47 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 2h0j s ALA 24 CO 0.63 -1.38 0.03 0.00 0.00 0.00 0.00 175.76 175.04 2h0j s ALA 25 N 3.20 3.33 -1.37 0.00 0.00 -1.26 -4.28 121.76 121.38 2h0j s ALA 25 Ca 0.35 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2h0j s ALA 25 Cb -0.13 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.82 2h0j s ALA 25 CO 0.15 0.58 0.00 0.09 0.00 0.00 0.00 175.76 176.58 2h0j n ASN 26 N 0.10 -4.73 -4.72 0.00 3.02 0.21 -4.93 115.26 104.21 2h0j n ASN 26 Ca -0.10 0.01 -0.38 0.00 -0.03 0.00 0.00 54.58 54.08 2h0j n ASN 26 Cb 0.54 -3.84 -0.06 0.00 -0.61 0.00 0.00 39.78 35.81 2h0j n ASN 26 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2h0j s VAL 27 N -2.77 5.18 0.24 2.41 1.01 -1.26 -4.76 120.40 120.45 2h0j s VAL 27 Ca 0.00 0.96 -0.30 0.00 0.00 0.00 0.00 61.98 62.64 2h0j s VAL 27 Cb 0.00 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 2h0j s VAL 27 CO 0.00 0.32 1.19 -0.75 0.00 0.00 0.00 175.10 175.86 2h0j s LYS 28 N 0.68 4.51 -0.17 2.72 2.20 -1.26 -2.43 119.74 125.99 2h0j s LYS 28 Ca 0.26 1.92 -0.01 0.00 -0.36 0.00 0.00 55.97 57.79 2h0j s LYS 28 Cb -0.15 -3.19 0.04 0.00 -1.51 0.00 0.00 37.83 33.02 2h0j s LYS 28 CO 0.10 -0.02 -0.05 0.42 -0.36 0.00 0.00 175.35 175.44 2h0j s ILE 29 N -0.55 1.09 -0.01 5.43 1.01 0.14 -0.50 121.20 127.80 2h0j s ILE 29 Ca 0.50 -0.62 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 2h0j s ILE 29 Cb -0.34 -1.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 2h0j s ILE 29 CO 0.41 0.12 0.32 -0.83 0.00 0.00 0.00 174.94 174.95 2h0j s GLY 30 N 1.64 2.34 0.01 6.18 0.00 0.16 -1.67 107.32 115.98 2h0j s GLY 30 Ca 0.01 -0.41 0.06 0.00 0.00 0.00 0.00 44.72 44.38 2h0j s GLY 30 CO -0.08 -0.13 -0.20 -2.27 0.00 0.00 0.00 173.10 170.43 2h0j s LEU 31 N -1.34 2.09 -0.13 0.66 0.20 -0.90 0.10 118.68 119.36 2h0j s LEU 31 Ca 0.24 -0.41 -0.29 0.00 0.69 0.00 0.00 54.13 54.36 2h0j s LEU 31 Cb -0.14 -0.98 0.07 0.00 -0.43 0.00 0.00 46.19 44.71 2h0j s LEU 31 CO 0.12 0.21 0.70 -1.59 -0.29 0.00 0.00 176.35 175.50 2h0j s LYS 32 N -0.72 0.97 0.65 1.98 -2.85 -0.61 -3.22 119.74 115.95 2h0j s LYS 32 Ca 0.07 0.53 -0.15 0.00 -1.00 0.00 0.00 55.97 55.42 2h0j s LYS 32 Cb -0.08 0.46 -0.01 0.00 -2.06 0.00 0.00 37.83 36.15 2h0j s LYS 32 CO 0.00 -0.24 1.10 1.03 0.10 0.00 0.00 175.35 177.34 2h0j s ARG 33 N -0.61 2.90 0.24 1.78 1.81 -1.26 -0.81 118.95 123.00 2h0j s ARG 33 Ca -0.07 1.33 -0.31 0.00 -1.72 0.00 0.00 55.73 54.97 2h0j s ARG 33 Cb -0.02 -1.97 -0.12 0.00 -0.45 0.00 0.00 34.95 32.40 2h0j s ARG 33 CO 0.06 -1.16 1.67 -1.17 -0.68 0.00 0.00 175.30 174.02 2h0j s LEU 34 N -4.82 4.36 0.00 2.53 0.20 -0.53 -2.00 118.68 118.42 2h0j s LEU 34 Ca 0.66 2.89 0.00 0.00 0.69 0.00 0.00 54.13 58.37 2h0j s LEU 34 Cb -0.19 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 41.95 2h0j s LEU 34 CO 0.41 -0.94 0.00 0.61 -0.29 0.00 0.00 176.35 176.14 2h0j n GLY 35 N 3.28 2.24 1.00 7.98 0.00 -1.26 -5.00 105.19 113.43 2h0j n GLY 35 Ca 0.13 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 2h0j n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2h0j n GLU 36 N 0.00 -0.49 -4.28 1.61 1.02 -0.85 -5.10 120.64 112.55 2h0j n GLU 36 Ca 0.00 -0.53 -0.27 0.00 -0.02 0.00 0.00 57.16 56.35 2h0j n GLU 36 Cb 0.00 -0.37 -0.07 0.00 -0.02 0.00 0.00 31.44 30.98 2h0j n GLU 36 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2h0j s SER 37 N -2.27 4.31 0.78 1.62 1.04 -1.26 -4.74 113.70 113.18 2h0j s SER 37 Ca 0.20 -1.23 -0.19 0.00 0.48 0.00 0.00 55.95 55.20 2h0j s SER 37 Cb -0.01 -0.22 -0.14 0.00 0.10 0.00 0.00 66.02 65.75 2h0j s SER 37 CO 0.14 -0.63 -1.03 -0.38 0.98 0.00 0.00 173.24 172.31 2h0j n ILE 38 N -1.25 0.00 -0.99 -1.02 5.41 -1.26 -4.57 119.36 115.67 2h0j n ILE 38 Ca -0.04 -0.13 -0.31 0.00 1.00 0.00 0.00 62.75 63.27 2h0j n ILE 38 Cb 0.65 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.59 2h0j n ILE 38 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2h0j n LYS 40 N 1.96 0.00 -3.46 0.38 5.02 -1.20 -4.98 118.16 115.88 2h0j n LYS 40 Ca -0.02 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.10 2h0j n LYS 40 Cb 0.54 -0.79 -0.12 0.00 -0.02 0.00 0.00 35.03 34.64 2h0j n LYS 40 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2h0j s GLU 41 N -0.82 0.24 0.20 1.97 2.02 -1.26 -2.11 118.70 118.93 2h0j s GLU 41 Ca 0.45 0.16 0.09 0.00 0.02 0.00 0.00 54.97 55.69 2h0j s GLU 41 Cb -0.39 -1.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.79 2h0j s GLU 41 CO 0.53 -0.73 -0.11 0.08 0.02 0.00 0.00 175.26 175.05 2h0j s VAL 42 N 2.35 3.08 -0.13 2.63 1.01 -0.67 -4.94 120.40 123.75 2h0j s VAL 42 Ca 0.08 -1.78 0.03 0.00 0.00 0.00 0.00 61.98 60.31 2h0j s VAL 42 Cb -0.15 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.69 2h0j s VAL 42 CO -0.17 -0.16 -0.22 -0.31 0.00 0.00 0.00 175.10 174.24 2h0j s TYR 43 N -1.83 2.57 0.50 5.22 1.51 -1.26 0.23 117.35 124.29 2h0j s TYR 43 Ca 0.26 -1.25 -0.22 0.00 -1.01 0.00 0.00 57.07 54.84 2h0j s TYR 43 Cb -0.08 -1.75 -0.06 0.00 -0.11 0.00 0.00 41.96 39.96 2h0j s TYR 43 CO 0.15 -0.57 1.24 0.95 -1.11 0.00 0.00 175.55 176.22 2h0j s THR 44 N 0.75 2.68 0.00 -0.71 -4.23 -1.02 -4.79 115.64 108.31 2h0j s THR 44 Ca -0.09 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 2h0j s THR 44 Cb -0.16 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.43 2h0j s THR 44 CO -0.00 -0.01 0.00 -0.46 -0.54 0.00 0.00 174.62 173.61 2h0j n ASN 45 N -0.77 0.00 0.16 3.99 0.23 0.74 0.63 115.26 120.24 2h0j n ASN 45 Ca 0.09 -0.75 0.03 0.00 -0.53 0.00 0.00 54.58 53.42 2h0j n ASN 45 Cb 0.47 0.00 0.42 0.00 -2.08 0.00 0.00 39.78 38.59 2h0j n ASN 45 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 2h0j h ASN 46 N 0.00 0.14 -0.01 0.53 2.35 -1.93 -1.03 115.58 115.62 2h0j h ASN 46 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2h0j h ASN 46 Cb 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2h0j h ASN 46 CO 0.00 0.32 0.00 -0.67 -1.65 0.00 0.00 177.43 175.43 2h0j n ASP 47 N -4.28 0.17 -1.16 5.81 2.03 -1.26 -4.67 116.55 113.19 2h0j n ASP 47 Ca -0.01 -1.33 -0.08 0.00 0.52 0.00 0.00 54.79 53.89 2h0j n ASP 47 Cb 0.27 -0.01 0.01 0.00 -0.72 0.00 0.00 41.12 40.67 2h0j n ASP 47 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2h0j n GLY 48 N 0.89 0.18 1.23 0.27 0.00 -0.39 -4.80 105.19 102.56 2h0j n GLY 48 Ca 0.17 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 2h0j n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h0j n ARG 49 N -1.90 0.43 -4.90 1.61 1.74 -1.26 -1.81 116.66 110.57 2h0j n ARG 49 Ca -0.06 -1.27 -0.28 0.00 -0.77 0.00 0.00 57.85 55.47 2h0j n ARG 49 Cb 0.55 0.89 -0.17 0.00 -1.02 0.00 0.00 32.46 32.72 2h0j n ARG 49 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2h0j s VAL 50 N -2.34 1.58 0.17 1.55 -7.23 -1.26 -0.18 120.40 112.69 2h0j s VAL 50 Ca 0.12 -0.75 -0.27 0.00 -1.81 0.00 0.00 61.98 59.27 2h0j s VAL 50 Cb 0.01 -1.39 0.02 0.00 0.56 0.00 0.00 36.38 35.58 2h0j s VAL 50 CO 0.08 0.45 1.55 0.44 -0.31 0.00 0.00 175.10 177.32 2h0j h ASP 51 N 6.75 -1.73 -3.28 4.85 5.19 -2.00 -3.38 116.42 122.82 2h0j h ASP 51 Ca -0.26 0.28 -0.63 0.00 -0.62 0.00 0.00 57.03 55.80 2h0j h ASP 51 Cb 1.21 0.79 -0.17 0.00 0.18 0.00 0.00 39.33 41.33 2h0j h ASP 51 CO 0.47 -0.31 -0.60 -0.69 -3.12 0.00 0.00 179.24 174.99 2h0j s VAL 52 N -5.73 4.44 0.75 -1.35 1.01 -1.26 -5.08 120.40 113.18 2h0j s VAL 52 Ca -0.14 -0.17 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 2h0j s VAL 52 Cb 0.13 -2.96 -0.13 0.00 0.00 0.00 0.00 36.38 33.42 2h0j s VAL 52 CO 0.65 0.50 -0.29 -2.65 0.00 0.00 0.00 175.10 173.31 2h0j n PRO 53 N 3.26 0.03 0.21 2.72 -0.02 -1.26 -4.85 135.00 135.09 2h0j n PRO 53 Ca -0.17 0.02 0.09 0.00 -2.02 0.00 0.00 63.50 61.41 2h0j n PRO 53 Cb 0.53 -1.15 0.37 0.00 -0.02 0.00 0.00 33.50 33.23 2h0j n PRO 53 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2h0j h LEU 54 N -0.51 0.00 -7.43 2.45 4.07 -1.74 -3.45 115.31 108.71 2h0j h LEU 54 Ca -0.43 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.43 2h0j h LEU 54 Cb 1.37 0.00 -0.19 0.00 1.08 0.00 0.00 40.66 42.92 2h0j h LEU 54 CO 0.34 0.27 -0.18 -0.76 -1.08 0.00 0.00 178.44 177.04 2h0j s LEU 55 N -6.73 0.57 -0.22 1.67 1.43 -1.21 -5.01 118.68 109.19 2h0j s LEU 55 Ca 0.01 0.10 -0.32 0.00 -1.03 0.00 0.00 54.13 52.89 2h0j s LEU 55 Cb 0.10 1.54 0.15 0.00 0.03 0.00 0.00 46.19 48.01 2h0j s LEU 55 CO 0.66 -0.54 1.22 0.00 0.23 0.00 0.00 176.35 177.92 2h0j s ALA 56 N -1.75 -2.06 0.00 4.21 0.00 -1.26 -1.65 121.76 119.25 2h0j s ALA 56 Ca -0.10 1.70 0.00 0.00 0.00 0.00 0.00 51.96 53.56 2h0j s ALA 56 Cb -0.03 -0.69 0.00 0.00 0.00 0.00 0.00 23.12 22.40 2h0j s ALA 56 CO 0.02 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.77 2h0j n GLY 57 N 0.26 1.01 0.31 0.00 0.00 -0.61 -2.61 105.19 103.55 2h0j n GLY 57 Ca -0.02 -0.58 0.21 0.00 0.00 0.00 0.00 46.02 45.64 2h0j n GLY 57 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2h0j n GLU 58 N 0.75 -0.07 -0.12 1.61 -0.58 -1.26 -1.14 120.64 119.84 2h0j n GLU 58 Ca 0.00 1.35 -0.06 0.00 -0.42 0.00 0.00 57.16 58.03 2h0j n GLU 58 Cb 0.00 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 28.60 2h0j n GLU 58 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2h0j h GLU 59 N 0.00 -0.17 -7.27 3.49 5.08 -1.92 -3.51 114.58 110.28 2h0j h GLU 59 Ca 0.67 0.01 -0.50 0.00 -1.00 0.00 0.00 59.36 58.55 2h0j h GLU 59 Cb 1.60 0.04 0.18 0.00 0.50 0.00 0.00 28.75 31.07 2h0j h GLU 59 CO -0.81 -0.12 0.21 -1.17 -1.00 0.00 0.00 179.01 176.13 2h0j s LEU 60 N -10.62 2.44 0.06 1.33 0.20 -0.29 -4.91 118.68 106.88 2h0j s LEU 60 Ca -0.15 1.88 -0.20 0.00 0.69 0.00 0.00 54.13 56.36 2h0j s LEU 60 Cb 0.14 -4.25 -0.06 0.00 -0.43 0.00 0.00 46.19 41.59 2h0j s LEU 60 CO 0.69 -3.01 0.59 -0.94 -0.29 0.00 0.00 176.35 173.39 2h0j s SER 62 N -2.92 7.07 0.00 3.68 1.04 -1.26 -4.89 113.70 116.43 2h0j s SER 62 Ca 0.65 1.27 0.00 0.00 0.48 0.00 0.00 55.95 58.35 2h0j s SER 62 Cb -0.21 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2h0j s SER 62 CO 0.59 0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.64 2h0j n GLY 63 N 1.89 -0.11 3.87 7.32 0.00 -0.17 -4.98 105.19 113.00 2h0j n GLY 63 Ca -0.09 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 2h0j n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h0j s GLU 64 N -1.38 3.74 0.17 1.61 2.02 -1.26 -1.12 118.70 122.49 2h0j s GLU 64 Ca 0.00 0.15 0.03 0.00 0.02 0.00 0.00 54.97 55.17 2h0j s GLU 64 Cb 0.00 -3.02 -0.05 0.00 0.10 0.00 0.00 34.13 31.16 2h0j s GLU 64 CO 0.00 0.58 -0.03 0.71 0.02 0.00 0.00 175.26 176.54 2h0j s TYR 65 N -1.36 1.29 0.00 1.61 1.51 0.40 -1.45 117.35 119.35 2h0j s TYR 65 Ca 0.31 -0.92 0.00 0.00 -1.01 0.00 0.00 57.07 55.46 2h0j s TYR 65 Cb -0.14 -0.72 0.00 0.00 -0.11 0.00 0.00 41.96 40.99 2h0j s TYR 65 CO 0.17 -0.09 0.00 0.28 -1.11 0.00 0.00 175.55 174.81 2h0j n VAL 66 N -0.26 0.00 -3.15 0.71 0.31 0.01 -1.23 118.33 114.71 2h0j n VAL 66 Ca -0.08 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.30 2h0j n VAL 66 Cb 0.62 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.55 2h0j n VAL 66 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2h0j s GLU 68 N -0.85 0.52 -0.12 5.55 2.02 0.28 -1.57 118.70 124.54 2h0j s GLU 68 Ca 0.00 0.59 -0.23 0.00 0.02 0.00 0.00 54.97 55.35 2h0j s GLU 68 Cb 0.00 0.29 -0.03 0.00 0.10 0.00 0.00 34.13 34.49 2h0j s GLU 68 CO 0.00 -0.90 0.72 -0.06 0.02 0.00 0.00 175.26 175.04 2h0j s PHE 69 N 2.85 3.49 -1.33 1.61 0.08 -0.19 0.38 117.98 124.86 2h0j s PHE 69 Ca 0.13 1.18 -0.07 0.00 0.12 0.00 0.00 56.93 58.29 2h0j s PHE 69 Cb -0.10 -2.86 0.12 0.00 -0.57 0.00 0.00 43.02 39.60 2h0j s PHE 69 CO -0.25 -0.06 2.28 0.72 -0.10 0.00 0.00 175.22 177.81 2h0j n HIS 70 N 4.46 2.69 -0.31 0.36 8.25 0.34 -1.07 115.22 129.94 2h0j n HIS 70 Ca 0.00 -2.83 0.02 0.00 -0.26 0.00 0.00 57.72 54.65 2h0j n HIS 70 Cb 0.50 -1.92 0.16 0.00 1.12 0.00 0.00 29.99 29.85 2h0j n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2h0j h ALA 71 N 4.97 1.23 -0.14 -1.41 0.00 -1.84 -2.83 119.26 119.24 2h0j h ALA 71 Ca 0.63 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.58 2h0j h ALA 71 Cb 0.40 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 2h0j h ALA 71 CO 1.55 0.24 -0.40 0.78 0.00 0.00 0.00 179.25 181.41 2h0j h GLY 72 N 0.94 -0.66 1.43 0.00 0.00 0.92 -1.52 103.07 104.19 2h0j h GLY 72 Ca 0.40 0.50 -0.04 0.00 0.00 0.00 0.00 47.33 48.19 2h0j h GLY 72 CO -0.20 -0.22 0.15 -0.55 0.00 0.00 0.00 176.54 175.71 2h0j h ASP 73 N -0.47 0.67 0.52 0.19 3.32 -1.76 -1.41 116.42 117.48 2h0j h ASP 73 Ca 0.08 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2h0j h ASP 73 Cb 0.61 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 2h0j h ASP 73 CO -0.39 0.64 -0.29 0.22 -1.72 0.00 0.00 179.24 177.69 2h0j h TYR 74 N 0.71 -0.77 0.00 4.55 3.20 -1.11 -1.51 116.97 122.04 2h0j h TYR 74 Ca 0.16 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 2h0j h TYR 74 Cb 0.22 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 2h0j h TYR 74 CO 0.01 -0.46 -0.20 0.74 -1.64 0.00 0.00 178.16 176.61 2h0j h PHE 75 N -0.76 0.00 -0.49 -3.82 0.04 -1.21 -2.38 116.94 108.32 2h0j h PHE 75 Ca -0.06 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 2h0j h PHE 75 Cb 0.61 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.74 2h0j h PHE 75 CO -0.08 0.20 0.19 0.00 -0.60 0.00 0.00 178.31 178.02 2h0j h ALA 76 N 1.80 0.64 0.00 2.45 0.00 -0.73 -0.28 119.26 123.14 2h0j h ALA 76 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2h0j h ALA 76 Cb 0.48 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2h0j h ALA 76 CO 0.03 0.26 0.00 -1.13 0.00 0.00 0.00 179.25 178.41 2h0j n SER 77 N -4.55 0.40 -0.13 0.00 3.41 -0.62 -3.11 113.62 109.02 2h0j n SER 77 Ca 0.02 0.64 -0.23 0.00 -0.26 0.00 0.00 58.87 59.03 2h0j n SER 77 Cb 0.16 -0.71 -0.10 0.00 -0.26 0.00 0.00 64.21 63.30 2h0j n SER 77 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2h0j n LYS 78 N -1.99 0.59 0.00 4.33 4.76 -0.68 -5.13 118.16 120.05 2h0j n LYS 78 Ca 0.01 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 2h0j n LYS 78 Cb 0.11 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 2h0j n LYS 78 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2h0j n ASN 79 N -3.75 0.00 -0.59 4.39 3.02 -0.20 -5.13 115.26 113.00 2h0j n ASN 79 Ca -0.49 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.19 2h0j n ASN 79 Cb 0.92 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 40.30 2h0j n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2h0j n ALA 82 N -3.00 2.93 -3.04 5.41 0.00 -1.26 -5.06 120.51 116.49 2h0j n ALA 82 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2h0j n ALA 82 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2h0j n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h0j n ALA 83 N 0.31 0.00 1.43 0.00 0.00 -1.26 -5.00 120.51 115.99 2h0j n ALA 83 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.71 2h0j n ALA 83 Cb 0.46 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.43 2h0j n ALA 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2h0j n ASP 84 N -2.42 1.01 -2.77 0.00 8.00 -1.26 -4.21 116.55 114.91 2h0j n ASP 84 Ca 0.00 -1.06 -0.09 0.00 0.71 0.00 0.00 54.79 54.35 2h0j n ASP 84 Cb 0.00 0.03 0.05 0.00 -0.02 0.00 0.00 41.12 41.18 2h0j n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h0j n GLN 85 N -0.43 0.82 -1.68 -1.24 6.02 -1.26 -5.15 117.38 114.46 2h0j n GLN 85 Ca 0.16 -1.83 -0.43 0.00 -0.01 0.00 0.00 57.00 54.89 2h0j n GLN 85 Cb 0.32 -1.39 -0.01 0.00 1.02 0.00 0.00 30.24 30.18 2h0j n GLN 85 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2h0j n PRO 86 N 1.42 1.96 0.24 -1.09 -0.02 -1.26 -4.94 135.00 131.32 2h0j n PRO 86 Ca 0.09 0.69 -0.16 0.00 -2.02 0.00 0.00 63.50 62.10 2h0j n PRO 86 Cb 0.64 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.80 2h0j n PRO 86 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2h0j h PHE 87 N 2.41 -0.75 -3.65 6.00 3.57 -1.97 -3.36 116.94 119.18 2h0j h PHE 87 Ca -0.45 -0.00 -0.64 0.00 3.53 0.00 0.00 57.97 60.40 2h0j h PHE 87 Cb 1.29 0.27 -0.15 0.00 2.79 0.00 0.00 35.95 40.16 2h0j h PHE 87 CO 0.50 -0.43 -0.16 -0.51 -2.23 0.00 0.00 178.31 175.48 2h0j s LEU 88 N -10.15 4.28 0.00 0.59 1.43 -1.26 -4.93 118.68 108.63 2h0j s LEU 88 Ca -0.16 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2h0j s LEU 88 Cb 0.05 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.79 2h0j s LEU 88 CO 0.63 -0.36 0.00 0.35 0.23 0.00 0.00 176.35 177.21 2h0j n THR 89 N 5.28 0.00 -3.91 5.49 -2.24 -1.26 -3.51 114.28 114.13 2h0j n THR 89 Ca -0.07 0.10 -0.34 0.00 -2.27 0.00 0.00 64.05 61.47 2h0j n THR 89 Cb 0.49 -1.04 -0.13 0.00 -2.10 0.00 0.00 70.33 67.55 2h0j n THR 89 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2h0j s ILE 90 N -0.24 2.83 -0.13 2.28 1.01 -1.26 0.12 121.20 125.81 2h0j s ILE 90 Ca 0.00 -1.92 -0.29 0.00 0.00 0.00 0.00 60.65 58.44 2h0j s ILE 90 Cb 0.00 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 2h0j s ILE 90 CO 0.00 -0.45 1.44 -0.69 0.00 0.00 0.00 174.94 175.24 2h0j s VAL 91 N 1.10 3.97 -0.09 2.92 1.01 -0.23 -4.85 120.40 124.23 2h0j s VAL 91 Ca 0.04 1.16 -0.04 0.00 0.00 0.00 0.00 61.98 63.15 2h0j s VAL 91 Cb -0.21 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 2h0j s VAL 91 CO -0.04 -0.13 0.06 0.28 0.00 0.00 0.00 175.10 175.26 2h0j s THR 92 N 3.86 4.79 -0.09 3.92 -1.32 -1.26 -1.02 115.64 124.51 2h0j s THR 92 Ca 0.63 -0.10 -0.02 0.00 -1.21 0.00 0.00 61.69 61.00 2h0j s THR 92 Cb -0.26 -3.06 0.03 0.00 -1.51 0.00 0.00 72.50 67.70 2h0j s THR 92 CO 0.22 0.58 0.00 -0.69 -2.21 0.00 0.00 174.62 172.52 2h0j s VAL 93 N -0.97 0.43 -0.06 5.08 1.01 -1.26 -5.03 120.40 119.60 2h0j s VAL 93 Ca 0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 2h0j s VAL 93 Cb -0.12 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2h0j s VAL 93 CO 0.04 0.19 0.03 -0.60 0.00 0.00 0.00 175.10 174.77 2h0j s ARG 94 N 1.94 3.01 0.25 2.72 3.52 -1.26 -4.02 118.95 125.11 2h0j s ARG 94 Ca 0.04 -0.43 -0.22 0.00 -0.13 0.00 0.00 55.73 54.99 2h0j s ARG 94 Cb -0.13 -2.83 0.03 0.00 -1.56 0.00 0.00 34.95 30.47 2h0j s ARG 94 CO -0.06 0.69 0.73 -0.59 -0.81 0.00 0.00 175.30 175.26 2h0j s PHE 95 N -1.01 -0.23 -0.13 5.12 -0.71 -0.37 -5.00 117.98 115.65 2h0j s PHE 95 Ca 0.17 -0.17 -0.00 0.00 -1.04 0.00 0.00 56.93 55.88 2h0j s PHE 95 Cb -0.12 0.68 0.03 0.00 -1.21 0.00 0.00 43.02 42.40 2h0j s PHE 95 CO 0.06 -1.13 -0.08 -1.14 -1.34 0.00 0.00 175.22 171.59 2h0j s GLN 96 N -3.82 1.61 -0.35 1.99 0.74 -1.26 -0.45 119.66 118.13 2h0j s GLN 96 Ca 0.10 -0.38 -0.23 0.00 0.05 0.00 0.00 55.36 54.89 2h0j s GLN 96 Cb -0.05 -1.79 0.01 0.00 1.10 0.00 0.00 33.01 32.28 2h0j s GLN 96 CO 0.04 -0.31 0.79 -0.51 -0.55 0.00 0.00 175.29 174.75 2h0j s LEU 97 N 1.65 4.11 -0.15 3.68 1.43 -0.27 -4.91 118.68 124.22 2h0j s LEU 97 Ca 0.04 0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 53.47 2h0j s LEU 97 Cb -0.13 -3.05 -0.09 0.00 0.03 0.00 0.00 46.19 42.94 2h0j s LEU 97 CO -0.08 -0.70 0.08 0.00 0.23 0.00 0.00 176.35 175.87 2h0j h ALA 98 N 8.37 0.07 -2.10 4.21 0.00 -1.95 -0.43 119.26 127.42 2h0j h ALA 98 Ca -0.24 -0.59 -0.60 0.00 0.00 0.00 0.00 54.91 53.47 2h0j h ALA 98 Cb 1.09 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 19.19 2h0j h ALA 98 CO 0.91 0.39 0.49 0.34 0.00 0.00 0.00 179.25 181.38 2h0j s ASP 99 N -6.05 6.62 0.17 0.00 -1.08 -1.26 -4.47 116.67 110.59 2h0j s ASP 99 Ca -0.16 0.47 0.14 0.00 -0.52 0.00 0.00 52.55 52.48 2h0j s ASP 99 Cb 0.02 -2.43 0.68 0.00 -1.46 0.00 0.00 42.92 39.73 2h0j s ASP 99 CO 0.33 -0.80 1.42 -2.65 0.52 0.00 0.00 175.17 173.99 2h0j n PRO 100 N 6.60 0.08 0.00 4.34 -0.02 -1.26 -2.37 135.00 142.37 2h0j n PRO 100 Ca 0.05 0.52 0.05 0.00 -2.02 0.00 0.00 63.50 62.10 2h0j n PRO 100 Cb 0.48 -1.74 -0.03 0.00 -0.02 0.00 0.00 33.50 32.20 2h0j n PRO 100 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2h0j n ASP 101 N -1.91 0.96 -4.88 2.55 8.00 -1.26 -2.60 116.55 117.41 2h0j n ASP 101 Ca 0.00 -0.98 -0.30 0.00 0.71 0.00 0.00 54.79 54.22 2h0j n ASP 101 Cb 0.07 0.70 0.03 0.00 -0.02 0.00 0.00 41.12 41.90 2h0j n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h0j s ALA 102 N -1.71 3.00 0.03 2.24 0.00 -1.00 -3.58 121.76 120.73 2h0j s ALA 102 Ca 0.07 -0.28 -0.07 0.00 0.00 0.00 0.00 51.96 51.68 2h0j s ALA 102 Cb 0.09 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.15 2h0j s ALA 102 CO 0.35 -0.95 0.30 -1.01 0.00 0.00 0.00 175.76 174.45 2h0j s HIS 103 N -3.26 3.57 -0.21 0.00 3.76 -1.26 -2.05 115.29 115.84 2h0j s HIS 103 Ca 0.57 0.60 -0.04 0.00 -0.15 0.00 0.00 55.06 56.04 2h0j s HIS 103 Cb -0.11 -2.02 0.07 0.00 1.11 0.00 0.00 32.58 31.63 2h0j s HIS 103 CO 0.52 0.58 0.08 0.71 -0.85 0.00 0.00 174.74 175.78 2h0j s TYR 104 N -1.35 0.58 -0.37 1.40 2.02 0.11 -4.93 117.35 114.82 2h0j s TYR 104 Ca 0.30 -0.67 -0.08 0.00 -0.37 0.00 0.00 57.07 56.25 2h0j s TYR 104 Cb -0.13 -0.90 0.05 0.00 -0.40 0.00 0.00 41.96 40.58 2h0j s TYR 104 CO 0.17 -0.62 0.17 -1.01 -1.57 0.00 0.00 175.55 172.70 2h0j s HIS 105 N 2.01 3.30 -0.67 2.71 3.76 -1.26 -0.55 115.29 124.57 2h0j s HIS 105 Ca 0.03 -1.44 0.01 0.00 -0.15 0.00 0.00 55.06 53.50 2h0j s HIS 105 Cb -0.16 -2.56 0.17 0.00 1.11 0.00 0.00 32.58 31.13 2h0j s HIS 105 CO -0.14 -0.77 0.48 0.42 -0.85 0.00 0.00 174.74 173.88 2h0j s ILE 106 N 1.42 3.40 0.86 0.60 1.01 -0.77 0.11 121.20 127.82 2h0j s ILE 106 Ca 0.01 -3.54 -0.11 0.00 0.00 0.00 0.00 60.65 57.01 2h0j s ILE 106 Cb -0.21 -3.22 0.11 0.00 0.01 0.00 0.00 42.46 39.15 2h0j s ILE 106 CO 0.03 -0.93 1.09 -2.84 0.00 0.00 0.00 174.94 172.29 2h0j s PRO 107 N -0.71 1.56 -0.16 2.79 0.02 -1.19 -4.11 135.00 133.21 2h0j s PRO 107 Ca 0.21 0.86 -0.01 0.00 0.02 0.00 0.00 61.00 62.08 2h0j s PRO 107 Cb -0.15 -1.84 0.04 0.00 0.02 0.00 0.00 34.50 32.56 2h0j s PRO 107 CO -0.07 -2.04 -0.04 -1.17 -0.33 0.00 0.00 177.00 173.34 2h0j s LEU 108 N -6.10 1.46 -0.26 -5.54 2.96 0.30 -3.47 118.68 108.02 2h0j s LEU 108 Ca 0.63 -0.59 -0.17 0.00 -0.22 0.00 0.00 54.13 53.77 2h0j s LEU 108 Cb -0.17 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 2h0j s LEU 108 CO 0.56 -0.19 0.48 -0.76 -1.32 0.00 0.00 176.35 175.13 2h0j s LEU 109 N 1.68 4.05 -0.01 -0.68 1.43 -0.22 -1.80 118.68 123.12 2h0j s LEU 109 Ca 0.01 0.47 0.08 0.00 -1.03 0.00 0.00 54.13 53.66 2h0j s LEU 109 Cb -0.15 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.44 2h0j s LEU 109 CO -0.08 -0.26 -0.25 -0.22 0.23 0.00 0.00 176.35 175.77 2h0j s LEU 110 N 2.25 2.13 0.04 1.79 2.96 -0.23 -0.08 118.68 127.54 2h0j s LEU 110 Ca 0.20 -0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 53.64 2h0j s LEU 110 Cb -0.16 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 2h0j s LEU 110 CO 0.09 0.31 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.85 2h0j s SER 111 N -0.72 0.37 0.64 3.68 0.15 0.38 -1.41 113.70 116.79 2h0j s SER 111 Ca 0.10 -0.74 0.34 0.00 0.70 0.00 0.00 55.95 56.35 2h0j s SER 111 Cb -0.10 0.15 1.85 0.00 -1.71 0.00 0.00 66.02 66.21 2h0j s SER 111 CO -0.00 -0.44 2.04 -0.65 1.20 0.00 0.00 173.24 175.38 2h0j h PRO 112 N 3.92 0.00 0.00 5.44 0.11 -2.00 -2.70 132.00 136.78 2h0j h PRO 112 Ca -0.33 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 2h0j h PRO 112 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2h0j h PRO 112 CO 0.53 0.00 -0.38 1.19 -0.21 0.00 0.00 178.00 179.13 2h0j n PHE 113 N -2.90 0.00 -3.63 0.65 3.01 -1.26 -4.37 117.46 108.96 2h0j n PHE 113 Ca -0.02 -0.43 -0.03 0.00 1.01 0.00 0.00 57.45 57.98 2h0j n PHE 113 Cb 0.26 -0.10 -0.02 0.00 -0.01 0.00 0.00 39.48 39.61 2h0j n PHE 113 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2h0j s GLY 114 N -1.79 -0.18 0.00 1.37 0.00 -1.02 -5.10 107.32 100.60 2h0j s GLY 114 Ca 0.15 1.98 -0.25 0.00 0.00 0.00 0.00 44.72 46.60 2h0j s GLY 114 CO -0.01 0.68 0.56 -2.52 0.00 0.00 0.00 173.10 171.82 2h0j s TYR 115 N -1.97 -0.50 -0.17 1.90 1.13 -1.26 -0.47 117.35 116.01 2h0j s TYR 115 Ca 0.11 0.72 -0.03 0.00 -1.41 0.00 0.00 57.07 56.46 2h0j s TYR 115 Cb -0.01 0.35 -0.02 0.00 -1.10 0.00 0.00 41.96 41.17 2h0j s TYR 115 CO -0.04 -0.60 -0.04 -1.14 -2.51 0.00 0.00 175.55 171.22 2h0j s GLN 116 N -1.79 3.59 -0.16 -3.49 2.00 0.89 -4.95 119.66 115.75 2h0j s GLN 116 Ca -0.09 -0.56 0.00 0.00 -2.00 0.00 0.00 55.36 52.72 2h0j s GLN 116 Cb -0.01 -2.92 0.00 0.00 0.80 0.00 0.00 33.01 30.88 2h0j s GLN 116 CO 0.04 0.14 -0.16 0.08 -0.50 0.00 0.00 175.29 174.89 2h0j s VAL 117 N 0.62 2.58 0.22 1.34 1.01 -1.26 -1.06 120.40 123.84 2h0j s VAL 117 Ca -0.03 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.02 2h0j s VAL 117 Cb -0.14 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.15 2h0j s VAL 117 CO 0.02 0.52 0.45 -0.72 0.00 0.00 0.00 175.10 175.37 2h0j s TYR 118 N 0.87 0.25 -0.50 5.22 1.13 -1.23 -5.07 117.35 118.02 2h0j s TYR 118 Ca -0.04 -0.61 -0.13 0.00 -1.41 0.00 0.00 57.07 54.87 2h0j s TYR 118 Cb -0.15 0.19 0.12 0.00 -1.10 0.00 0.00 41.96 41.01 2h0j s TYR 118 CO -0.01 -0.92 0.42 0.50 -2.51 0.00 0.00 175.55 173.03 2h0j s ARG 119 N -3.97 2.79 0.00 -3.49 3.52 -1.26 -3.13 118.95 113.41 2h0j s ARG 119 Ca 0.18 -1.66 0.00 0.00 -0.13 0.00 0.00 55.73 54.12 2h0j s ARG 119 Cb 0.00 -4.12 0.00 0.00 -1.56 0.00 0.00 34.95 29.27 2h0j s ARG 119 CO 0.04 -1.22 0.00 0.41 -0.81 0.00 0.00 175.30 173.72 2h0j n GLY 120 N 5.11 0.96 0.00 8.12 0.00 0.12 -5.00 105.19 114.50 2h0j n GLY 120 Ca -0.12 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2h0j n GLY 120 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18