#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1z n HIS 3 N 0.00 1.62 -2.06 7.33 -0.00 -1.26 -4.95 115.22 115.89 3e1z n HIS 3 Ca 0.00 -0.56 -0.41 0.00 -0.00 0.00 0.00 57.72 56.74 3e1z n HIS 3 Cb 0.00 -0.41 -0.03 0.00 -0.00 0.00 0.00 29.99 29.55 3e1z n HIS 3 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 3e1z s LYS 4 N -2.34 4.30 -0.23 1.57 -2.85 -1.26 -4.56 119.74 114.36 3e1z s LYS 4 Ca 0.43 2.23 -0.19 0.00 -1.00 0.00 0.00 55.97 57.44 3e1z s LYS 4 Cb 0.32 -3.14 -0.03 0.00 -2.06 0.00 0.00 37.83 32.93 3e1z s LYS 4 CO 0.13 -0.39 0.56 0.08 0.10 0.00 0.00 175.35 175.82 3e1z s VAL 5 N 0.16 5.06 0.10 1.79 1.01 0.65 -4.99 120.40 124.19 3e1z s VAL 5 Ca 0.60 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.58 3e1z s VAL 5 Cb -0.40 -3.87 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 3e1z s VAL 5 CO 0.40 0.11 0.00 0.35 0.00 0.00 0.00 175.10 175.97 3e1z n THR 6 N 4.85 0.00 -0.11 3.92 -2.24 -1.26 -0.74 114.28 118.70 3e1z n THR 6 Ca -0.03 -0.49 0.11 0.00 -2.27 0.00 0.00 64.05 61.37 3e1z n THR 6 Cb 0.50 0.10 0.48 0.00 -2.10 0.00 0.00 70.33 69.31 3e1z n THR 6 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3e1z h LYS 7 N 0.00 0.45 0.00 -0.78 1.57 -1.99 -0.91 116.57 114.92 3e1z h LYS 7 Ca -0.09 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3e1z h LYS 7 Cb 0.26 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3e1z h LYS 7 CO 0.14 0.30 0.10 0.00 -0.57 0.00 0.00 179.45 179.42 3e1z h ALA 8 N 1.68 1.09 -0.68 3.86 0.00 -1.95 -1.09 119.26 122.16 3e1z h ALA 8 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3e1z h ALA 8 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3e1z h ALA 8 CO -0.09 -0.09 0.00 0.72 0.00 0.00 0.00 179.25 179.79 3e1z n HIS 9 N -2.79 0.98 -1.63 0.00 8.25 -0.35 -5.00 115.22 114.69 3e1z n HIS 9 Ca -0.02 -0.47 -0.51 0.00 -0.26 0.00 0.00 57.72 56.45 3e1z n HIS 9 Cb 0.15 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.17 3e1z n HIS 9 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3e1z n ASN 10 N 1.44 2.13 0.00 0.41 2.85 -0.42 -0.55 115.26 121.13 3e1z n ASN 10 Ca 0.23 1.10 0.00 0.00 -0.11 0.00 0.00 54.58 55.80 3e1z n ASN 10 Cb 0.61 -1.24 0.00 0.00 1.24 0.00 0.00 39.78 40.39 3e1z n ASN 10 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3e1z n GLY 11 N 3.02 1.70 3.82 8.20 0.00 0.13 -4.97 105.19 117.09 3e1z n GLY 11 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3e1z n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e1z s ALA 12 N -2.88 2.78 -0.19 4.61 0.00 0.29 -4.80 121.76 121.58 3e1z s ALA 12 Ca 0.00 0.26 -0.05 0.00 0.00 0.00 0.00 51.96 52.17 3e1z s ALA 12 Cb 0.00 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 3e1z s ALA 12 CO 0.00 -0.83 0.01 0.99 0.00 0.00 0.00 175.76 175.93 3e1z s THR 13 N -2.66 4.19 -0.14 0.00 2.01 -1.26 -1.41 115.64 116.37 3e1z s THR 13 Ca 0.61 -0.24 -0.02 0.00 0.31 0.00 0.00 61.69 62.35 3e1z s THR 13 Cb -0.14 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 3e1z s THR 13 CO 0.42 0.45 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.98 3e1z s LEU 14 N 0.70 3.16 -0.19 4.42 1.02 0.68 -4.97 118.68 123.50 3e1z s LEU 14 Ca 0.01 -0.13 -0.19 0.00 0.02 0.00 0.00 54.13 53.83 3e1z s LEU 14 Cb -0.14 -1.74 -0.03 0.00 0.02 0.00 0.00 46.19 44.30 3e1z s LEU 14 CO 0.02 0.21 0.53 -0.89 0.02 0.00 0.00 176.35 176.24 3e1z s THR 15 N 0.14 5.10 0.09 5.49 2.01 -1.26 0.12 115.64 127.32 3e1z s THR 15 Ca -0.02 0.99 0.02 0.00 0.31 0.00 0.00 61.69 62.99 3e1z s THR 15 Cb -0.14 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 3e1z s THR 15 CO 0.03 0.18 -0.07 0.68 -0.69 0.00 0.00 174.62 174.75 3e1z s VAL 16 N 1.59 0.69 0.20 3.82 -7.23 0.83 -4.94 120.40 115.36 3e1z s VAL 16 Ca 0.25 -1.72 -0.16 0.00 -1.81 0.00 0.00 61.98 58.53 3e1z s VAL 16 Cb -0.15 -1.42 -0.08 0.00 0.56 0.00 0.00 36.38 35.29 3e1z s VAL 16 CO 0.10 -0.73 0.64 0.00 -0.31 0.00 0.00 175.10 174.79 3e1z s ALA 17 N -3.02 3.49 0.09 1.32 0.00 -1.26 -4.03 121.76 118.35 3e1z s ALA 17 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 51.96 51.69 3e1z s ALA 17 Cb 0.01 -2.67 -0.13 0.00 0.00 0.00 0.00 23.12 20.33 3e1z s ALA 17 CO -0.03 0.39 1.66 0.28 0.00 0.00 0.00 175.76 178.06 3e1z n VAL 18 N 0.63 0.16 0.00 0.00 0.31 -1.26 -1.76 118.33 116.41 3e1z n VAL 18 Ca -0.03 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3e1z n VAL 18 Cb 0.52 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 3e1z n VAL 18 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3e1z n GLY 19 N 3.67 0.80 3.71 2.92 0.00 0.56 -5.00 105.19 111.86 3e1z n GLY 19 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3e1z n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3e1z s GLU 20 N -0.87 4.49 -0.22 1.61 2.12 -0.72 -4.86 118.70 120.24 3e1z s GLU 20 Ca 0.00 1.60 -0.29 0.00 0.36 0.00 0.00 54.97 56.64 3e1z s GLU 20 Cb 0.00 -3.41 -0.00 0.00 0.26 0.00 0.00 34.13 30.97 3e1z s GLU 20 CO 0.00 -0.17 1.20 -1.17 -0.54 0.00 0.00 175.26 174.58 3e1z s LEU 21 N 1.12 4.09 -0.13 2.70 0.20 -1.26 -3.85 118.68 121.55 3e1z s LEU 21 Ca 0.55 1.48 -0.13 0.00 0.69 0.00 0.00 54.13 56.72 3e1z s LEU 21 Cb -0.25 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 41.92 3e1z s LEU 21 CO 0.28 -0.80 0.30 -0.69 -0.29 0.00 0.00 176.35 175.15 3e1z s VAL 22 N 3.59 5.28 -0.34 1.68 1.01 0.94 -4.90 120.40 127.66 3e1z s VAL 22 Ca 0.52 0.57 -0.12 0.00 0.00 0.00 0.00 61.98 62.95 3e1z s VAL 22 Cb -0.18 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 3e1z s VAL 22 CO 0.14 0.44 0.22 -0.70 0.00 0.00 0.00 175.10 175.19 3e1z s GLU 23 N 0.09 3.31 -0.10 2.72 2.56 -1.26 -0.85 118.70 125.17 3e1z s GLU 23 Ca 0.18 -0.76 0.01 0.00 0.00 0.00 0.00 54.97 54.40 3e1z s GLU 23 Cb -0.13 -3.74 -0.02 0.00 2.00 0.00 0.00 34.13 32.24 3e1z s GLU 23 CO 0.05 -0.50 -0.15 0.42 -0.56 0.00 0.00 175.26 174.53 3e1z s ILE 24 N 1.67 2.89 -0.06 -3.70 1.01 -0.11 -0.25 121.20 122.65 3e1z s ILE 24 Ca 0.05 -0.74 -0.00 0.00 0.00 0.00 0.00 60.65 59.96 3e1z s ILE 24 Cb -0.18 -2.18 0.02 0.00 0.01 0.00 0.00 42.46 40.14 3e1z s ILE 24 CO 0.09 0.55 -0.02 -1.10 0.00 0.00 0.00 174.94 174.45 3e1z s GLN 25 N 0.08 0.76 0.00 2.79 -0.21 0.08 -0.41 119.66 122.76 3e1z s GLN 25 Ca -0.07 -0.01 0.02 0.00 0.02 0.00 0.00 55.36 55.32 3e1z s GLN 25 Cb -0.15 -0.93 -0.01 0.00 1.00 0.00 0.00 33.01 32.92 3e1z s GLN 25 CO 0.05 -0.19 -0.07 -0.51 -2.12 0.00 0.00 175.29 172.45 3e1z s LEU 26 N 1.44 2.05 0.33 2.90 1.43 -0.20 -4.13 118.68 122.50 3e1z s LEU 26 Ca -0.03 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.60 3e1z s LEU 26 Cb -0.13 -0.32 -0.11 0.00 0.03 0.00 0.00 46.19 45.66 3e1z s LEU 26 CO -0.03 0.04 1.44 -2.84 0.23 0.00 0.00 176.35 175.19 3e1z s PRO 27 N -0.36 4.21 -0.15 1.29 0.02 -1.26 -0.99 135.00 137.76 3e1z s PRO 27 Ca 0.01 2.43 -0.13 0.00 0.02 0.00 0.00 61.00 63.33 3e1z s PRO 27 Cb -0.04 -3.03 0.04 0.00 0.02 0.00 0.00 34.50 31.50 3e1z s PRO 27 CO -0.00 -0.42 0.39 0.45 -0.33 0.00 0.00 177.00 177.09 3e1z s SER 28 N -0.10 -0.42 -0.53 2.53 0.15 -0.35 -4.79 113.70 110.17 3e1z s SER 28 Ca 0.54 0.80 0.05 0.00 0.70 0.00 0.00 55.95 58.04 3e1z s SER 28 Cb -0.44 0.78 0.19 0.00 -1.71 0.00 0.00 66.02 64.85 3e1z s SER 28 CO 0.55 -0.15 0.47 -3.20 1.20 0.00 0.00 173.24 172.12 3e1z n ASN 29 N 3.16 1.28 0.21 5.45 2.85 -1.26 -0.41 115.26 126.54 3e1z n ASN 29 Ca -0.15 -2.83 0.15 0.00 -0.11 0.00 0.00 54.58 51.64 3e1z n ASN 29 Cb 0.57 -0.65 0.67 0.00 1.24 0.00 0.00 39.78 41.61 3e1z n ASN 29 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3e1z h PRO 30 N 5.12 0.00 -0.03 1.20 0.13 -1.95 -1.67 132.00 134.80 3e1z h PRO 30 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3e1z h PRO 30 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3e1z h PRO 30 CO 0.56 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.58 3e1z n THR 31 N -2.63 0.04 1.05 1.56 -2.24 -1.26 -0.96 114.28 109.84 3e1z n THR 31 Ca 0.00 -0.07 0.13 0.00 -2.27 0.00 0.00 64.05 61.85 3e1z n THR 31 Cb 0.20 -0.14 0.39 0.00 -2.10 0.00 0.00 70.33 68.68 3e1z n THR 31 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3e1z n THR 32 N -0.55 0.00 0.00 4.28 -2.24 -0.63 -4.95 114.28 110.20 3e1z n THR 32 Ca 0.12 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3e1z n THR 32 Cb 0.10 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 3e1z n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3e1z n GLY 33 N 1.47 2.31 3.78 3.38 0.00 -0.14 -5.04 105.19 110.96 3e1z n GLY 33 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3e1z n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3e1z s PHE 34 N -2.37 3.85 0.31 1.61 0.08 -1.26 -4.11 117.98 116.08 3e1z s PHE 34 Ca 0.00 1.48 -0.06 0.00 0.12 0.00 0.00 56.93 58.46 3e1z s PHE 34 Cb 0.00 -2.67 0.03 0.00 -0.57 0.00 0.00 43.02 39.80 3e1z s PHE 34 CO 0.00 0.51 0.52 0.00 -0.10 0.00 0.00 175.22 176.15 3e1z n ALA 35 N 1.82 -0.80 -2.70 5.36 0.00 -0.69 -3.38 120.51 120.12 3e1z n ALA 35 Ca -0.07 -1.24 -0.38 0.00 0.00 0.00 0.00 53.44 51.76 3e1z n ALA 35 Cb 0.50 0.99 -0.07 0.00 0.00 0.00 0.00 19.45 20.87 3e1z n ALA 35 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3e1z s TRP 36 N -3.28 3.44 0.04 0.00 0.52 -1.26 -0.96 118.94 117.44 3e1z s TRP 36 Ca 0.20 0.71 0.00 0.00 0.02 0.00 0.00 56.10 57.03 3e1z s TRP 36 Cb -0.02 -2.49 -0.03 0.00 -1.15 0.00 0.00 33.47 29.78 3e1z s TRP 36 CO 0.14 0.11 -0.04 0.71 0.02 0.00 0.00 176.95 177.89 3e1z s TYR 37 N 0.88 0.43 0.90 -1.98 2.02 0.16 -4.80 117.35 114.96 3e1z s TYR 37 Ca 0.21 -0.68 -0.12 0.00 -0.37 0.00 0.00 57.07 56.11 3e1z s TYR 37 Cb -0.14 -0.29 0.13 0.00 -0.40 0.00 0.00 41.96 41.25 3e1z s TYR 37 CO 0.08 -0.21 1.10 -0.06 -1.57 0.00 0.00 175.55 174.88 3e1z s PHE 38 N -2.17 2.39 0.21 2.71 0.40 0.67 -0.97 117.98 121.21 3e1z s PHE 38 Ca -0.08 1.16 -0.32 0.00 -0.60 0.00 0.00 56.93 57.10 3e1z s PHE 38 Cb -0.05 -3.19 -0.14 0.00 0.51 0.00 0.00 43.02 40.15 3e1z s PHE 38 CO -0.03 -2.37 1.32 -1.91 0.70 0.00 0.00 175.22 172.93 3e1z n GLU 39 N -3.84 1.71 0.00 0.44 2.13 -1.26 -1.43 120.64 118.38 3e1z n GLU 39 Ca 0.07 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.49 3e1z n GLU 39 Cb 0.56 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 30.06 3e1z n GLU 39 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3e1z n GLY 40 N 2.14 3.06 0.23 8.31 0.00 -1.26 -4.43 105.19 113.25 3e1z n GLY 40 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3e1z n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1z n GLY 41 N -1.83 1.37 3.37 -0.02 0.00 -0.51 -5.01 105.19 102.55 3e1z n GLY 41 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 3e1z n GLY 41 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3e1z s THR 42 N -2.07 2.02 -2.26 2.61 -1.32 -1.19 -4.92 115.64 108.51 3e1z s THR 42 Ca 0.00 -2.02 0.29 0.00 -1.21 0.00 0.00 61.69 58.75 3e1z s THR 42 Cb 0.00 -1.98 0.62 0.00 -1.51 0.00 0.00 72.50 69.63 3e1z s THR 42 CO 0.00 -0.29 1.87 0.29 -2.21 0.00 0.00 174.62 174.28 3e1z n LYS 43 N 0.14 1.37 -3.37 7.08 4.76 -1.26 -0.24 118.16 126.63 3e1z n LYS 43 Ca -0.12 -0.63 -0.38 0.00 -2.87 0.00 0.00 58.31 54.31 3e1z n LYS 43 Cb 0.57 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 32.22 3e1z n LYS 43 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3e1z s GLU 44 N -2.06 4.07 0.08 1.97 0.41 -1.26 -4.87 118.70 117.03 3e1z s GLU 44 Ca 0.39 0.59 -0.36 0.00 -0.41 0.00 0.00 54.97 55.18 3e1z s GLU 44 Cb 0.21 -3.21 -0.18 0.00 -1.78 0.00 0.00 34.13 29.17 3e1z s GLU 44 CO 0.37 0.65 1.08 0.45 -0.49 0.00 0.00 175.26 177.31 3e1z n SER 45 N 1.70 0.45 0.22 -0.19 2.88 -1.26 -4.81 113.62 112.61 3e1z n SER 45 Ca -0.12 1.14 0.08 0.00 -1.33 0.00 0.00 58.87 58.65 3e1z n SER 45 Cb 0.51 -1.04 0.50 0.00 -0.75 0.00 0.00 64.21 63.43 3e1z n SER 45 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3e1z h PRO 46 N 3.15 0.00 -2.73 -1.46 0.11 -1.95 -3.38 132.00 125.74 3e1z h PRO 46 Ca -0.46 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.10 3e1z h PRO 46 Cb 1.39 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 32.11 3e1z h PRO 46 CO 0.68 0.26 -0.81 0.54 -0.21 0.00 0.00 178.00 178.46 3e1z s ASN 47 N -6.40 3.31 0.50 -2.05 4.22 -1.26 -5.01 114.94 108.25 3e1z s ASN 47 Ca -0.01 -1.70 0.24 0.00 -2.14 0.00 0.00 52.86 49.25 3e1z s ASN 47 Cb 0.12 -0.39 1.33 0.00 1.28 0.00 0.00 41.25 43.59 3e1z s ASN 47 CO 0.65 -0.38 1.72 -0.33 -2.04 0.00 0.00 177.10 176.71 3e1z h GLU 48 N 7.79 0.00 0.00 3.55 4.39 -1.76 0.14 114.58 128.68 3e1z h GLU 48 Ca -0.09 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.54 3e1z h GLU 48 Cb 0.99 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 3e1z h GLU 48 CO 0.37 0.00 -0.37 0.77 -1.16 0.00 0.00 179.01 178.62 3e1z h SER 49 N 0.00 0.00 0.00 1.42 0.02 -1.97 -3.36 113.55 109.66 3e1z h SER 49 Ca 0.00 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.55 3e1z h SER 49 Cb 0.49 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.96 3e1z h SER 49 CO 0.00 0.37 -2.48 0.23 -1.14 0.00 0.00 176.83 173.81 3e1z n MET 50 N -3.37 0.62 -3.51 3.45 2.81 0.44 -4.10 117.12 113.47 3e1z n MET 50 Ca 0.01 0.18 -0.15 0.00 -1.81 0.00 0.00 57.70 55.93 3e1z n MET 50 Cb 0.56 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.53 3e1z n MET 50 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 3e1z s PHE 51 N -2.51 -0.54 0.06 2.03 -0.12 -1.03 0.35 117.98 116.22 3e1z s PHE 51 Ca -0.35 0.66 0.06 0.00 -0.05 0.00 0.00 56.93 57.25 3e1z s PHE 51 Cb 0.10 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 3e1z s PHE 51 CO 0.56 -0.69 -0.13 0.99 -0.05 0.00 0.00 175.22 175.90 3e1z s THR 52 N -2.39 3.19 -0.04 -4.49 2.01 0.12 -4.09 115.64 109.95 3e1z s THR 52 Ca -0.05 -1.17 0.01 0.00 0.31 0.00 0.00 61.69 60.79 3e1z s THR 52 Cb -0.01 -2.42 0.02 0.00 0.01 0.00 0.00 72.50 70.10 3e1z s THR 52 CO -0.01 0.24 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.44 3e1z s VAL 53 N -1.07 0.42 -0.05 3.82 1.01 -1.26 -0.10 120.40 123.17 3e1z s VAL 53 Ca 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 3e1z s VAL 53 Cb -0.11 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 3e1z s VAL 53 CO 0.09 0.21 -0.00 -1.61 0.00 0.00 0.00 175.10 173.79 3e1z s GLU 54 N 1.09 2.89 -0.02 2.72 2.02 0.53 -4.78 118.70 123.15 3e1z s GLU 54 Ca -0.09 -0.50 0.07 0.00 0.02 0.00 0.00 54.97 54.47 3e1z s GLU 54 Cb -0.14 -2.73 -0.02 0.00 0.10 0.00 0.00 34.13 31.35 3e1z s GLU 54 CO -0.01 0.67 -0.22 1.21 0.02 0.00 0.00 175.26 176.93 3e1z s ASN 55 N -1.18 2.56 -0.04 -0.19 3.84 -1.26 0.18 114.94 118.85 3e1z s ASN 55 Ca 0.16 -0.40 -0.02 0.00 0.21 0.00 0.00 52.86 52.81 3e1z s ASN 55 Cb -0.11 -0.33 0.02 0.00 -0.55 0.00 0.00 41.25 40.28 3e1z s ASN 55 CO 0.06 0.26 0.09 -0.75 -2.79 0.00 0.00 177.10 173.97 3e1z s LYS 56 N -0.46 0.07 -0.21 0.43 2.20 -0.45 -5.00 119.74 116.32 3e1z s LYS 56 Ca 0.07 0.22 -0.09 0.00 -0.36 0.00 0.00 55.97 55.80 3e1z s LYS 56 Cb -0.09 -0.09 -0.05 0.00 -1.51 0.00 0.00 37.83 36.09 3e1z s LYS 56 CO -0.00 -0.10 0.12 -0.47 -0.36 0.00 0.00 175.35 174.54 3e1z s TYR 57 N 0.64 3.33 -0.31 4.03 5.04 -1.26 0.41 117.35 129.23 3e1z s TYR 57 Ca -0.05 0.21 -0.06 0.00 -2.44 0.00 0.00 57.07 54.73 3e1z s TYR 57 Cb -0.07 -2.17 0.03 0.00 0.35 0.00 0.00 41.96 40.09 3e1z s TYR 57 CO -0.03 0.17 0.08 -0.06 -1.34 0.00 0.00 175.55 174.37 3e1z s PHE 58 N 0.61 3.20 0.64 4.97 0.40 0.58 -5.00 117.98 123.38 3e1z s PHE 58 Ca 0.07 -1.28 -0.16 0.00 -0.60 0.00 0.00 56.93 54.95 3e1z s PHE 58 Cb -0.12 -2.25 -0.01 0.00 0.51 0.00 0.00 43.02 41.15 3e1z s PHE 58 CO 0.01 -0.67 1.13 -2.14 0.70 0.00 0.00 175.22 174.24 3e1z s PRO 59 N 1.43 2.87 0.63 0.24 0.02 -1.26 -0.89 135.00 138.04 3e1z s PRO 59 Ca -0.00 1.49 -0.18 0.00 0.02 0.00 0.00 61.00 62.33 3e1z s PRO 59 Cb -0.18 -1.95 -0.01 0.00 0.02 0.00 0.00 34.50 32.37 3e1z s PRO 59 CO 0.02 -1.22 1.21 -1.25 -0.33 0.00 0.00 177.00 175.44 3e1z s PRO 60 N -3.87 2.73 -1.29 5.54 0.04 -1.26 -4.87 135.00 132.02 3e1z s PRO 60 Ca 0.69 1.81 -0.13 0.00 0.04 0.00 0.00 61.00 63.41 3e1z s PRO 60 Cb -0.22 -1.90 0.13 0.00 0.04 0.00 0.00 34.50 32.54 3e1z s PRO 60 CO 0.38 -1.39 1.75 -3.47 0.04 0.00 0.00 177.00 174.31 3e1z n ASP 61 N -1.92 4.92 -3.83 6.66 4.64 -1.26 -4.89 116.55 120.86 3e1z n ASP 61 Ca 0.14 -2.98 -0.12 0.00 -1.38 0.00 0.00 54.79 50.45 3e1z n ASP 61 Cb 0.50 -1.60 -0.10 0.00 -1.04 0.00 0.00 41.12 38.87 3e1z n ASP 61 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 3e1z s SER 62 N 2.65 -0.08 0.00 1.67 0.15 -1.26 -5.05 113.70 111.77 3e1z s SER 62 Ca 0.45 0.04 0.28 0.00 0.70 0.00 0.00 55.95 57.42 3e1z s SER 62 Cb 0.05 0.29 0.98 0.00 -1.71 0.00 0.00 66.02 65.63 3e1z s SER 62 CO 0.01 -0.28 1.70 0.29 1.20 0.00 0.00 173.24 176.16 3e1z n LYS 63 N 1.94 1.27 -1.87 5.44 5.02 -1.26 -4.92 118.16 123.79 3e1z n LYS 63 Ca -0.19 -0.71 -0.42 0.00 -2.02 0.00 0.00 58.31 54.97 3e1z n LYS 63 Cb 0.57 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 3e1z n LYS 63 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3e1z s LEU 64 N -2.22 4.37 -0.25 -0.35 1.43 -1.26 -4.95 118.68 115.45 3e1z s LEU 64 Ca 0.33 2.53 -0.29 0.00 -1.03 0.00 0.00 54.13 55.67 3e1z s LEU 64 Cb 0.20 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.87 3e1z s LEU 64 CO 0.41 -0.93 1.11 -0.76 0.23 0.00 0.00 176.35 176.42 3e1z s LEU 65 N 3.01 4.04 0.00 1.79 2.01 -1.26 -3.12 118.68 125.15 3e1z s LEU 65 Ca 0.77 1.32 0.00 0.00 0.01 0.00 0.00 54.13 56.22 3e1z s LEU 65 Cb -0.41 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.25 3e1z s LEU 65 CO 0.34 -0.79 0.00 0.61 1.01 0.00 0.00 176.35 177.52 3e1z n GLY 66 N 3.63 0.61 3.66 -3.19 0.00 -1.26 -5.08 105.19 103.58 3e1z n GLY 66 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3e1z n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e1z s ALA 67 N -2.00 3.62 0.64 4.61 0.00 -1.18 -5.00 121.76 122.44 3e1z s ALA 67 Ca 0.00 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 52.81 3e1z s ALA 67 Cb 0.00 -3.74 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 3e1z s ALA 67 CO 0.00 -1.36 1.06 0.20 0.00 0.00 0.00 175.76 175.65 3e1z s GLY 68 N 3.27 1.93 0.00 0.00 0.00 -1.26 -4.70 107.32 106.55 3e1z s GLY 68 Ca 0.74 0.26 0.00 0.00 0.00 0.00 0.00 44.72 45.72 3e1z s GLY 68 CO 0.30 0.57 0.00 0.61 0.00 0.00 0.00 173.10 174.59 3e1z n GLY 69 N -1.41 4.78 2.83 0.20 0.00 0.45 -4.34 105.19 107.69 3e1z n GLY 69 Ca 0.08 -1.79 -0.20 0.00 0.00 0.00 0.00 46.02 44.11 3e1z n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3e1z s THR 70 N 2.38 0.37 -0.07 2.61 2.01 -0.06 -1.21 115.64 121.65 3e1z s THR 70 Ca 0.00 0.02 -0.20 0.00 0.31 0.00 0.00 61.69 61.82 3e1z s THR 70 Cb 0.00 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 3e1z s THR 70 CO 0.00 0.21 0.56 -1.61 -0.69 0.00 0.00 174.62 173.09 3e1z s GLU 71 N 1.25 4.35 -0.11 4.92 2.02 -0.16 -0.31 118.70 130.66 3e1z s GLU 71 Ca -0.06 0.63 -0.07 0.00 0.02 0.00 0.00 54.97 55.50 3e1z s GLU 71 Cb -0.13 -3.41 -0.04 0.00 0.10 0.00 0.00 34.13 30.65 3e1z s GLU 71 CO -0.02 0.20 0.13 -1.01 0.02 0.00 0.00 175.26 174.58 3e1z s HIS 72 N 0.42 3.57 -0.17 1.61 3.76 0.17 -1.03 115.29 123.62 3e1z s HIS 72 Ca 0.30 0.50 0.01 0.00 -0.15 0.00 0.00 55.06 55.72 3e1z s HIS 72 Cb -0.17 -1.93 0.02 0.00 1.11 0.00 0.00 32.58 31.62 3e1z s HIS 72 CO 0.14 0.72 -0.18 -0.06 -0.85 0.00 0.00 174.74 174.51 3e1z s PHE 73 N -1.03 2.64 -0.42 1.40 0.08 0.45 -1.34 117.98 119.76 3e1z s PHE 73 Ca 0.15 -1.56 -0.13 0.00 0.12 0.00 0.00 56.93 55.51 3e1z s PHE 73 Cb -0.12 -1.84 0.05 0.00 -0.57 0.00 0.00 43.02 40.54 3e1z s PHE 73 CO 0.04 -0.78 0.30 -1.01 -0.10 0.00 0.00 175.22 173.67 3e1z s HIS 74 N 1.33 3.26 -0.20 0.36 3.76 0.13 -0.93 115.29 123.00 3e1z s HIS 74 Ca 0.05 -0.96 -0.05 0.00 -0.15 0.00 0.00 55.06 53.95 3e1z s HIS 74 Cb -0.13 -2.80 -0.02 0.00 1.11 0.00 0.00 32.58 30.74 3e1z s HIS 74 CO -0.12 -0.72 -0.00 0.08 -0.85 0.00 0.00 174.74 173.13 3e1z s VAL 75 N 1.59 3.91 -0.21 -0.90 1.01 -0.03 -0.34 120.40 125.44 3e1z s VAL 75 Ca 0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 3e1z s VAL 75 Cb -0.21 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 3e1z s VAL 75 CO 0.07 0.43 -0.02 -0.89 0.00 0.00 0.00 175.10 174.68 3e1z s THR 76 N 0.99 3.64 0.16 3.92 2.01 0.86 -0.04 115.64 127.19 3e1z s THR 76 Ca 0.01 -0.41 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 3e1z s THR 76 Cb -0.14 -2.65 -0.07 0.00 0.01 0.00 0.00 72.50 69.64 3e1z s THR 76 CO 0.02 0.42 1.16 -0.69 -0.69 0.00 0.00 174.62 174.84 3e1z s VAL 77 N 1.23 3.76 -0.06 3.82 1.01 -1.25 0.13 120.40 129.04 3e1z s VAL 77 Ca 0.03 1.46 0.14 0.00 0.00 0.00 0.00 61.98 63.61 3e1z s VAL 77 Cb -0.14 -3.93 -0.20 0.00 0.00 0.00 0.00 36.38 32.10 3e1z s VAL 77 CO -0.00 0.22 0.22 0.29 0.00 0.00 0.00 175.10 175.83 3e1z n LYS 78 N 2.66 0.94 -3.96 2.72 4.76 0.15 -0.32 118.16 125.10 3e1z n LYS 78 Ca 0.04 -0.09 -0.09 0.00 -2.87 0.00 0.00 58.31 55.30 3e1z n LYS 78 Cb 0.46 -1.34 -0.11 0.00 -1.84 0.00 0.00 35.03 32.19 3e1z n LYS 78 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3e1z s ALA 79 N -2.76 0.09 0.71 7.82 0.00 -1.16 -4.90 121.76 121.57 3e1z s ALA 79 Ca -0.06 -0.51 -0.16 0.00 0.00 0.00 0.00 51.96 51.24 3e1z s ALA 79 Cb 0.07 0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.35 3e1z s ALA 79 CO 0.58 -0.14 1.25 0.00 0.00 0.00 0.00 175.76 177.45 3e1z s ALA 80 N -1.28 2.16 0.00 0.00 0.00 -1.26 -4.71 121.76 116.67 3e1z s ALA 80 Ca -0.14 1.05 0.00 0.00 0.00 0.00 0.00 51.96 52.87 3e1z s ALA 80 Cb -0.09 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.51 3e1z s ALA 80 CO -0.01 -1.87 0.00 0.41 0.00 0.00 0.00 175.76 174.29 3e1z n GLY 81 N 0.70 1.83 3.54 0.00 0.00 0.14 -4.93 105.19 106.47 3e1z n GLY 81 Ca 0.15 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.70 3e1z n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3e1z s THR 82 N -1.49 4.43 -0.13 2.61 2.01 -1.26 0.27 115.64 122.08 3e1z s THR 82 Ca 0.00 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 61.85 3e1z s THR 82 Cb 0.00 -3.01 0.02 0.00 0.01 0.00 0.00 72.50 69.52 3e1z s THR 82 CO 0.00 0.43 -0.13 -1.00 -0.69 0.00 0.00 174.62 173.23 3e1z s HIS 83 N 0.75 1.92 -0.17 4.92 4.02 -0.17 -4.91 115.29 121.64 3e1z s HIS 83 Ca 0.02 -0.99 -0.22 0.00 1.02 0.00 0.00 55.06 54.89 3e1z s HIS 83 Cb -0.14 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.58 29.96 3e1z s HIS 83 CO 0.02 -0.56 0.66 0.00 1.02 0.00 0.00 174.74 175.88 3e1z s ALA 84 N 1.37 3.51 -0.49 -1.40 0.00 -1.26 -0.20 121.76 123.29 3e1z s ALA 84 Ca 0.01 -0.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.64 3e1z s ALA 84 Cb -0.13 -2.99 0.09 0.00 0.00 0.00 0.00 23.12 20.08 3e1z s ALA 84 CO -0.07 -0.49 0.42 0.08 0.00 0.00 0.00 175.76 175.70 3e1z s VAL 85 N 1.75 5.19 -0.29 0.00 1.01 0.98 -4.99 120.40 124.05 3e1z s VAL 85 Ca 0.31 -1.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 3e1z s VAL 85 Cb -0.16 -4.16 0.04 0.00 0.00 0.00 0.00 36.38 32.10 3e1z s VAL 85 CO 0.11 -0.64 0.01 0.20 0.00 0.00 0.00 175.10 174.78 3e1z s ASN 86 N 2.81 4.82 0.12 3.32 0.01 -1.26 -1.81 114.94 122.95 3e1z s ASN 86 Ca 0.04 -1.07 0.09 0.00 -0.71 0.00 0.00 52.86 51.21 3e1z s ASN 86 Cb -0.26 -1.74 -0.04 0.00 0.41 0.00 0.00 41.25 39.62 3e1z s ASN 86 CO 0.06 -0.22 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.46 3e1z s LEU 87 N 1.32 2.59 -0.04 0.60 1.43 0.95 -4.42 118.68 121.12 3e1z s LEU 87 Ca -0.02 -0.60 0.03 0.00 -1.03 0.00 0.00 54.13 52.51 3e1z s LEU 87 Cb -0.19 -1.46 -0.00 0.00 0.03 0.00 0.00 46.19 44.58 3e1z s LEU 87 CO -0.01 0.18 -0.14 -0.89 0.23 0.00 0.00 176.35 175.73 3e1z s THR 88 N -1.11 1.15 -0.42 5.49 2.01 -0.14 -0.73 115.64 121.89 3e1z s THR 88 Ca 0.17 -0.56 -0.23 0.00 0.31 0.00 0.00 61.69 61.37 3e1z s THR 88 Cb -0.10 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.43 3e1z s THR 88 CO 0.09 0.34 0.79 -0.47 -0.69 0.00 0.00 174.62 174.68 3e1z s TYR 89 N 0.11 3.03 0.15 4.92 5.04 0.27 -0.66 117.35 130.21 3e1z s TYR 89 Ca -0.04 0.31 -0.24 0.00 -2.44 0.00 0.00 57.07 54.66 3e1z s TYR 89 Cb -0.10 -3.59 0.06 0.00 0.35 0.00 0.00 41.96 38.68 3e1z s TYR 89 CO 0.01 -0.91 0.75 0.00 -1.34 0.00 0.00 175.55 174.06 3e1z s MET 90 N 3.25 1.29 -0.42 4.97 0.23 -0.13 -3.11 119.30 125.39 3e1z s MET 90 Ca 0.31 -0.59 -0.29 0.00 -1.03 0.00 0.00 55.69 54.09 3e1z s MET 90 Cb -0.12 0.52 0.02 0.00 -1.53 0.00 0.00 34.83 33.71 3e1z s MET 90 CO 0.21 -0.58 1.28 1.03 -2.03 0.00 0.00 175.02 174.94 3e1z s ARG 91 N -3.58 3.69 0.55 3.16 0.52 -1.26 -1.71 118.95 120.32 3e1z s ARG 91 Ca 0.06 0.84 0.36 0.00 -0.52 0.00 0.00 55.73 56.48 3e1z s ARG 91 Cb -0.02 -3.95 1.98 0.00 0.52 0.00 0.00 34.95 33.48 3e1z s ARG 91 CO -0.05 -1.42 2.11 -1.00 0.02 0.00 0.00 175.30 174.97 3e1z h PRO 92 N 9.88 0.00 -0.00 3.54 0.13 -1.90 0.28 132.00 143.93 3e1z h PRO 92 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3e1z h PRO 92 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3e1z h PRO 92 CO 1.09 0.00 -0.46 -2.67 -0.23 0.00 0.00 178.00 175.74 3e1z n TRP 93 N -2.79 0.00 -0.05 1.56 2.14 -1.26 -4.30 117.44 112.74 3e1z n TRP 93 Ca -0.02 0.00 -0.06 0.00 2.07 0.00 0.00 57.50 59.48 3e1z n TRP 93 Cb 0.07 -0.17 -0.06 0.00 -0.81 0.00 0.00 31.31 30.34 3e1z n TRP 93 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 3e1z n THR 94 N -1.14 0.63 -1.77 -1.67 -1.04 0.76 -5.14 114.28 104.91 3e1z n THR 94 Ca 0.08 -0.31 0.03 0.00 -2.04 0.00 0.00 64.05 61.81 3e1z n THR 94 Cb 0.34 -0.84 -0.01 0.00 -1.82 0.00 0.00 70.33 68.01 3e1z n THR 94 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3e1z n GLY 95 N 2.73 -2.07 3.60 3.41 0.00 0.06 -4.94 105.19 107.99 3e1z n GLY 95 Ca -0.17 -1.41 -0.46 0.00 0.00 0.00 0.00 46.02 43.97 3e1z n GLY 95 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3e1z n PRO 96 N -1.22 1.38 -4.05 1.61 -0.02 -1.26 -4.38 135.00 127.06 3e1z n PRO 96 Ca 0.00 0.49 -0.18 0.00 -2.02 0.00 0.00 63.50 61.78 3e1z n PRO 96 Cb 0.09 -1.94 -0.07 0.00 -0.02 0.00 0.00 33.50 31.56 3e1z n PRO 96 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3e1z n SER 97 N 1.61 -0.39 -0.29 2.55 3.41 -1.26 -5.00 113.62 114.25 3e1z n SER 97 Ca 0.12 -2.99 0.10 0.00 -0.26 0.00 0.00 58.87 55.84 3e1z n SER 97 Cb 0.29 1.44 0.23 0.00 -0.26 0.00 0.00 64.21 65.92 3e1z n SER 97 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3e1z h HIS 98 N 1.92 0.14 -0.00 7.33 2.76 -1.99 0.07 115.15 125.38 3e1z h HIS 98 Ca -0.22 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.00 3e1z h HIS 98 Cb 1.09 0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.12 3e1z h HIS 98 CO 0.00 -0.25 -0.19 -0.25 -1.30 0.00 0.00 177.93 175.95 3e1z n ASP 99 N -5.31 0.54 -4.74 3.26 8.00 -1.26 -4.93 116.55 112.12 3e1z n ASP 99 Ca 0.18 -0.47 -0.36 0.00 0.71 0.00 0.00 54.79 54.85 3e1z n ASP 99 Cb 0.61 -0.03 0.06 0.00 -0.02 0.00 0.00 41.12 41.74 3e1z n ASP 99 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3e1z s SER 100 N -2.61 4.69 0.19 -2.24 0.01 0.01 -5.00 113.70 108.74 3e1z s SER 100 Ca 0.24 2.51 0.06 0.00 1.31 0.00 0.00 55.95 60.06 3e1z s SER 100 Cb 0.19 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.77 3e1z s SER 100 CO 0.52 -1.94 -0.10 -1.61 0.41 0.00 0.00 173.24 170.52 3e1z s GLU 101 N -3.47 1.24 0.01 12.44 2.02 -1.18 -4.93 118.70 124.84 3e1z s GLU 101 Ca 0.80 -1.56 0.08 0.00 0.02 0.00 0.00 54.97 54.30 3e1z s GLU 101 Cb -0.34 -0.86 -0.03 0.00 0.10 0.00 0.00 34.13 33.01 3e1z s GLU 101 CO 0.39 0.09 -0.24 1.03 0.02 0.00 0.00 175.26 176.55 3e1z s ARG 102 N -3.72 2.01 -0.07 1.61 0.52 -1.26 -0.57 118.95 117.47 3e1z s ARG 102 Ca 0.21 -0.99 0.01 0.00 -0.52 0.00 0.00 55.73 54.45 3e1z s ARG 102 Cb 0.02 -2.07 0.02 0.00 0.52 0.00 0.00 34.95 33.43 3e1z s ARG 102 CO 0.05 0.54 -0.10 0.12 0.02 0.00 0.00 175.30 175.94 3e1z s PHE 103 N -0.76 1.34 -0.04 -0.53 5.36 0.09 -5.01 117.98 118.44 3e1z s PHE 103 Ca 0.12 -0.53 0.04 0.00 -0.96 0.00 0.00 56.93 55.59 3e1z s PHE 103 Cb -0.10 -1.04 -0.00 0.00 -0.34 0.00 0.00 43.02 41.53 3e1z s PHE 103 CO 0.01 -0.32 -0.15 0.99 -1.46 0.00 0.00 175.22 174.29 3e1z s THR 104 N 0.98 1.26 0.06 0.12 2.01 -1.26 -0.04 115.64 118.77 3e1z s THR 104 Ca -0.09 -0.62 0.07 0.00 0.31 0.00 0.00 61.69 61.36 3e1z s THR 104 Cb -0.15 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 3e1z s THR 104 CO 0.00 0.37 -0.19 0.54 -0.69 0.00 0.00 174.62 174.65 3e1z s VAL 105 N 0.09 1.54 -0.15 3.82 0.11 -0.75 0.20 120.40 125.26 3e1z s VAL 105 Ca -0.04 -1.25 -0.05 0.00 -2.93 0.00 0.00 61.98 57.72 3e1z s VAL 105 Cb -0.11 -1.37 -0.03 0.00 -1.53 0.00 0.00 36.38 33.34 3e1z s VAL 105 CO 0.02 0.08 -0.00 -0.31 -3.33 0.00 0.00 175.10 171.56 3e1z s TYR 106 N -0.92 3.12 -0.33 1.54 2.02 -0.50 -0.01 117.35 122.26 3e1z s TYR 106 Ca 0.06 -0.10 -0.04 0.00 -0.37 0.00 0.00 57.07 56.61 3e1z s TYR 106 Cb -0.09 -1.97 0.05 0.00 -0.40 0.00 0.00 41.96 39.56 3e1z s TYR 106 CO 0.02 0.11 0.08 -0.51 -1.57 0.00 0.00 175.55 173.68 3e1z s LEU 107 N 0.16 4.29 -0.33 -1.29 1.43 0.72 -0.23 118.68 123.42 3e1z s LEU 107 Ca 0.01 -1.31 -0.17 0.00 -1.03 0.00 0.00 54.13 51.62 3e1z s LEU 107 Cb -0.13 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 3e1z s LEU 107 CO 0.02 -0.33 0.48 -0.75 0.23 0.00 0.00 176.35 175.99 3e1z s LYS 108 N 1.31 3.70 -0.16 1.70 2.20 0.12 -1.00 119.74 127.60 3e1z s LYS 108 Ca -0.02 -0.13 -0.02 0.00 -0.36 0.00 0.00 55.97 55.44 3e1z s LYS 108 Cb -0.20 -3.78 -0.01 0.00 -1.51 0.00 0.00 37.83 32.33 3e1z s LYS 108 CO 0.00 -0.56 -0.08 0.00 -0.36 0.00 0.00 175.35 174.35 3e1z s ALA 109 N 2.30 2.76 -2.53 3.13 0.00 0.14 -0.12 121.76 127.45 3e1z s ALA 109 Ca 0.18 -0.96 0.28 0.00 0.00 0.00 0.00 51.96 51.45 3e1z s ALA 109 Cb -0.16 -1.44 1.01 0.00 0.00 0.00 0.00 23.12 22.53 3e1z s ALA 109 CO 0.12 0.03 1.72 0.09 0.00 0.00 0.00 175.76 177.72