#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3he1 n THR 3 N 0.00 1.26 -2.38 0.00 -2.24 -1.26 -4.43 114.28 105.23 3he1 n THR 3 Ca 0.00 -5.00 -0.24 0.00 -2.27 0.00 0.00 64.05 56.54 3he1 n THR 3 Cb 0.00 -0.92 0.05 0.00 -2.10 0.00 0.00 70.33 67.37 3he1 n THR 3 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3he1 s PRO 4 N -2.79 2.38 0.07 -0.78 0.05 -1.26 -4.81 135.00 127.86 3he1 s PRO 4 Ca 0.43 -0.42 0.09 0.00 0.05 0.00 0.00 61.00 61.16 3he1 s PRO 4 Cb 0.30 -2.29 -0.03 0.00 0.05 0.00 0.00 34.50 32.53 3he1 s PRO 4 CO -0.10 -1.00 -0.24 0.00 0.05 0.00 0.00 177.00 175.70 3he1 s ALA 5 N -3.05 2.37 0.36 8.56 0.00 -1.20 -2.16 121.76 126.65 3he1 s ALA 5 Ca 0.58 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 51.24 3he1 s ALA 5 Cb -0.11 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.50 3he1 s ALA 5 CO 0.42 0.55 0.02 0.66 0.00 0.00 0.00 175.76 177.41 3he1 n TYR 6 N 1.48 0.72 -3.60 0.00 4.01 -0.53 -0.52 117.16 118.72 3he1 n TYR 6 Ca -0.17 -1.87 -0.16 0.00 -0.16 0.00 0.00 57.90 55.55 3he1 n TYR 6 Cb 0.52 -0.20 -0.07 0.00 -0.31 0.00 0.00 39.34 39.28 3he1 n TYR 6 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3he1 s SER 8 N -3.02 -0.62 -0.03 7.72 1.04 -0.95 -0.38 113.70 117.45 3he1 s SER 8 Ca 0.03 0.91 0.03 0.00 0.48 0.00 0.00 55.95 57.39 3he1 s SER 8 Cb 0.00 0.85 0.00 0.00 0.10 0.00 0.00 66.02 66.98 3he1 s SER 8 CO 0.02 -0.43 -0.11 -0.63 0.98 0.00 0.00 173.24 173.07 3he1 s ILE 9 N -0.55 0.95 -0.17 -1.02 1.01 -1.26 -2.16 121.20 117.99 3he1 s ILE 9 Ca -0.07 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.14 3he1 s ILE 9 Cb -0.02 -0.84 0.02 0.00 0.01 0.00 0.00 42.46 41.63 3he1 s ILE 9 CO 0.06 0.29 -0.16 -0.89 0.00 0.00 0.00 174.94 174.23 3he1 s THR 10 N 0.17 1.82 -0.05 2.92 2.01 -0.63 0.58 115.64 122.47 3he1 s THR 10 Ca -0.04 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 3he1 s THR 10 Cb -0.09 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 3he1 s THR 10 CO 0.01 0.46 0.06 -0.83 -0.69 0.00 0.00 174.62 173.63 3he1 s GLY 11 N 1.38 1.98 0.65 4.40 0.00 0.41 -2.08 107.32 114.06 3he1 s GLY 11 Ca 0.04 -0.82 0.37 0.00 0.00 0.00 0.00 44.72 44.31 3he1 s GLY 11 CO -0.11 -0.64 2.19 -0.91 0.00 0.00 0.00 173.10 173.63 3he1 h THR 12 N 3.63 0.10 0.00 0.90 1.35 -1.78 -0.27 112.91 116.84 3he1 h THR 12 Ca -0.50 0.00 -0.25 0.00 -0.55 0.00 0.00 66.41 65.11 3he1 h THR 12 Cb 1.19 0.88 -0.04 0.00 -1.73 0.00 0.00 68.15 68.45 3he1 h THR 12 CO 0.59 0.00 -1.80 0.29 -0.25 0.00 0.00 175.52 174.34 3he1 n LYS 13 N -3.17 0.56 -0.01 4.72 4.01 -1.26 -4.72 118.16 118.29 3he1 n LYS 13 Ca -0.02 0.25 0.13 0.00 -0.51 0.00 0.00 58.31 58.16 3he1 n LYS 13 Cb 0.20 -1.47 0.42 0.00 -0.51 0.00 0.00 35.03 33.67 3he1 n LYS 13 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 3he1 n GLN 14 N -4.35 1.83 0.00 1.97 6.02 -1.10 -5.04 117.38 116.71 3he1 n GLN 14 Ca -0.35 -1.21 0.00 0.00 -0.01 0.00 0.00 57.00 55.42 3he1 n GLN 14 Cb 0.71 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.50 3he1 n GLN 14 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3he1 n GLY 15 N 1.22 1.88 3.57 1.08 0.00 -0.13 -4.55 105.19 108.26 3he1 n GLY 15 Ca 0.18 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 3he1 n GLY 15 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3he1 s LEU 16 N 0.00 3.87 0.37 0.99 2.96 -1.26 0.16 118.68 125.77 3he1 s LEU 16 Ca 0.00 0.19 0.22 0.00 -0.22 0.00 0.00 54.13 54.33 3he1 s LEU 16 Cb 0.00 -3.28 0.23 0.00 0.50 0.00 0.00 46.19 43.64 3he1 s LEU 16 CO 0.00 -1.15 1.45 0.40 -1.32 0.00 0.00 176.35 175.73 3he1 h ILE 17 N 6.13 0.05 -0.21 6.68 2.04 -0.10 -3.07 117.51 129.02 3he1 h ILE 17 Ca -0.24 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.55 3he1 h ILE 17 Cb 1.07 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 3he1 h ILE 17 CO 1.07 0.03 0.00 0.35 0.00 0.00 0.00 178.15 179.60 3he1 n THR 18 N -3.00 0.27 -1.68 -0.27 -2.24 -1.23 -4.48 114.28 101.66 3he1 n THR 18 Ca 0.03 -0.46 -0.47 0.00 -2.27 0.00 0.00 64.05 60.88 3he1 n THR 18 Cb 0.55 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 69.32 3he1 n THR 18 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3he1 n ALA 19 N 0.67 1.03 -2.20 6.98 0.00 -1.16 -1.47 120.51 124.36 3he1 n ALA 19 Ca 0.17 0.28 -0.15 0.00 0.00 0.00 0.00 53.44 53.74 3he1 n ALA 19 Cb 0.41 -2.52 -0.02 0.00 0.00 0.00 0.00 19.45 17.32 3he1 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3he1 n GLY 20 N 4.38 -0.05 0.05 0.00 0.00 -0.40 -4.87 105.19 104.30 3he1 n GLY 20 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.36 3he1 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3he1 n ALA 21 N -1.49 3.39 -3.47 4.61 0.00 -0.54 -4.10 120.51 118.90 3he1 n ALA 21 Ca -0.18 -0.35 -0.30 0.00 0.00 0.00 0.00 53.44 52.62 3he1 n ALA 21 Cb 0.61 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.84 3he1 n ALA 21 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3he1 n PHE 22 N -1.32 3.48 -4.23 0.00 7.35 -0.90 -4.52 117.46 117.32 3he1 n PHE 22 Ca 0.07 -3.99 -0.13 0.00 -0.76 0.00 0.00 57.45 52.65 3he1 n PHE 22 Cb 0.34 -0.71 -0.10 0.00 0.35 0.00 0.00 39.48 39.35 3he1 n PHE 22 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3he1 s THR 23 N -2.25 0.50 0.22 -2.13 -4.23 -1.26 -3.80 115.64 102.69 3he1 s THR 23 Ca 0.35 -1.97 -0.08 0.00 -1.18 0.00 0.00 61.69 58.81 3he1 s THR 23 Cb 0.08 -2.18 0.18 0.00 1.34 0.00 0.00 72.50 71.92 3he1 s THR 23 CO -0.03 -0.39 1.71 -0.33 -0.54 0.00 0.00 174.62 175.03 3he1 h GLU 24 N 2.69 0.30 -0.11 3.99 5.08 -1.93 0.49 114.58 125.09 3he1 h GLU 24 Ca -0.36 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 57.99 3he1 h GLU 24 Cb 1.21 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3he1 h GLU 24 CO 0.61 0.20 0.02 -0.44 -1.00 0.00 0.00 179.01 178.40 3he1 h ASP 25 N 0.31 -0.00 0.11 1.42 3.32 -1.92 0.17 116.42 119.83 3he1 h ASP 25 Ca 0.34 0.02 -0.24 0.00 0.02 0.00 0.00 57.03 57.17 3he1 h ASP 25 Cb 0.51 0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.09 3he1 h ASP 25 CO -0.40 0.02 -0.94 -1.28 -1.72 0.00 0.00 179.24 174.91 3he1 h SER 26 N 0.06 0.76 0.00 6.45 0.87 -1.62 -3.38 113.55 116.69 3he1 h SER 26 Ca 0.05 -0.58 -0.01 0.00 -1.23 0.00 0.00 61.79 60.02 3he1 h SER 26 Cb 0.04 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.77 3he1 h SER 26 CO -0.07 1.37 -1.12 1.33 -0.53 0.00 0.00 176.83 177.81 3he1 n VAL 27 N -3.83 0.02 -0.61 2.23 0.24 0.09 -4.07 118.33 112.40 3he1 n VAL 27 Ca -0.08 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 3he1 n VAL 27 Cb 0.83 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 3he1 n VAL 27 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3he1 n GLY 28 N 2.41 1.14 0.31 7.63 0.00 0.60 -3.59 105.19 113.69 3he1 n GLY 28 Ca -0.01 -0.58 0.18 0.00 0.00 0.00 0.00 46.02 45.61 3he1 n GLY 28 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3he1 h ASN 29 N 1.33 0.00 0.90 1.61 -0.00 -1.93 -0.21 115.58 117.27 3he1 h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 3he1 h ASN 29 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 3he1 h ASN 29 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.43 177.84 3he1 n THR 30 N -2.84 0.60 -1.66 -3.57 -1.04 -1.24 -4.90 114.28 99.63 3he1 n THR 30 Ca -0.02 0.06 -0.47 0.00 -2.04 0.00 0.00 64.05 61.58 3he1 n THR 30 Cb 0.20 -0.81 -0.04 0.00 -1.82 0.00 0.00 70.33 67.85 3he1 n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3he1 n TYR 31 N -1.83 2.22 -4.43 -1.42 9.36 -0.09 -5.01 117.16 115.95 3he1 n TYR 31 Ca 0.05 0.27 -0.23 0.00 3.32 0.00 0.00 57.90 61.30 3he1 n TYR 31 Cb 0.29 -2.54 -0.16 0.00 -0.63 0.00 0.00 39.34 36.29 3he1 n TYR 31 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 3he1 s GLN 32 N 1.26 1.40 0.66 2.98 0.74 -1.26 -5.04 119.66 120.41 3he1 s GLN 32 Ca 0.81 -0.31 -0.17 0.00 0.05 0.00 0.00 55.36 55.75 3he1 s GLN 32 Cb -0.70 -1.21 0.00 0.00 1.10 0.00 0.00 33.01 32.19 3he1 s GLN 32 CO 0.40 -0.01 1.20 -1.83 -0.55 0.00 0.00 175.29 174.50 3he1 s GLU 33 N 0.76 2.58 0.00 1.67 -1.05 -1.26 -4.25 118.70 117.15 3he1 s GLU 33 Ca -0.13 1.75 0.00 0.00 -0.15 0.00 0.00 54.97 56.44 3he1 s GLU 33 Cb -0.15 -1.89 0.00 0.00 -0.44 0.00 0.00 34.13 31.65 3he1 s GLU 33 CO 0.02 -1.50 0.00 0.41 0.95 0.00 0.00 175.26 175.15 3he1 n GLY 34 N 0.34 1.10 1.96 -3.83 0.00 -1.26 -4.95 105.19 98.55 3he1 n GLY 34 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3he1 n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3he1 n HIS 35 N -0.44 0.15 0.24 1.61 8.25 -1.26 -4.94 115.22 118.83 3he1 n HIS 35 Ca 0.00 -1.13 0.16 0.00 -0.26 0.00 0.00 57.72 56.49 3he1 n HIS 35 Cb 0.00 0.12 0.87 0.00 1.12 0.00 0.00 29.99 32.10 3he1 n HIS 35 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3he1 h GLU 36 N 1.33 0.00 -0.19 -0.41 3.07 -1.87 -0.93 114.58 115.58 3he1 h GLU 36 Ca -0.28 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.56 3he1 h GLU 36 Cb 1.56 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.47 3he1 h GLU 36 CO 0.03 0.00 -0.01 -0.25 -1.40 0.00 0.00 179.01 177.38 3he1 n ASP 37 N -2.62 3.31 -4.09 1.42 8.00 -1.26 -1.28 116.55 120.03 3he1 n ASP 37 Ca -0.02 -3.12 -0.27 0.00 0.71 0.00 0.00 54.79 52.09 3he1 n ASP 37 Cb 0.05 -0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 40.55 3he1 n ASP 37 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3he1 s GLN 38 N -2.89 2.00 0.00 -1.24 -0.21 -0.35 -4.21 119.66 112.76 3he1 s GLN 38 Ca 0.40 -2.24 0.00 0.00 0.02 0.00 0.00 55.36 53.54 3he1 s GLN 38 Cb 0.33 -0.63 0.00 0.00 1.00 0.00 0.00 33.01 33.71 3he1 s GLN 38 CO 0.06 -0.52 0.00 1.33 -2.12 0.00 0.00 175.29 174.04 3he1 n VAL 39 N -0.97 0.00 -3.54 1.09 0.24 -1.26 -2.12 118.33 111.77 3he1 n VAL 39 Ca -0.07 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.22 3he1 n VAL 39 Cb 0.65 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.97 3he1 n VAL 39 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3he1 s VAL 41 N 3.62 -0.60 -0.69 3.34 1.01 0.32 -4.32 120.40 123.08 3he1 s VAL 41 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.05 3he1 s VAL 41 Cb 0.00 -1.00 0.19 0.00 0.00 0.00 0.00 36.38 35.57 3he1 s VAL 41 CO 0.00 0.00 1.12 1.67 0.00 0.00 0.00 175.10 177.89 3he1 n GLN 42 N 4.97 2.52 -3.78 2.72 7.27 0.49 -3.22 117.38 128.35 3he1 n GLN 42 Ca -0.12 -1.76 -0.11 0.00 0.07 0.00 0.00 57.00 55.08 3he1 n GLN 42 Cb 0.52 -1.18 -0.07 0.00 2.41 0.00 0.00 30.24 31.92 3he1 n GLN 42 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3he1 s GLY 43 N -0.95 -0.08 -0.26 1.69 0.00 -0.75 -4.85 107.32 102.11 3he1 s GLY 43 Ca 0.15 -0.09 -0.22 0.00 0.00 0.00 0.00 44.72 44.56 3he1 s GLY 43 CO 0.11 -0.30 0.68 -0.12 0.00 0.00 0.00 173.10 173.47 3he1 s PHE 44 N -2.64 -0.81 -0.16 1.90 5.36 -1.25 -2.54 117.98 117.85 3he1 s PHE 44 Ca -0.04 1.88 -0.16 0.00 -0.96 0.00 0.00 56.93 57.64 3he1 s PHE 44 Cb -0.01 0.33 0.04 0.00 -0.34 0.00 0.00 43.02 43.04 3he1 s PHE 44 CO -0.04 -0.39 0.45 1.21 -1.46 0.00 0.00 175.22 174.99 3he1 s ASN 45 N 0.62 -0.46 -0.16 6.13 2.47 -0.05 -5.00 114.94 118.48 3he1 s ASN 45 Ca -0.02 0.85 -0.29 0.00 0.42 0.00 0.00 52.86 53.82 3he1 s ASN 45 Cb -0.05 0.87 0.12 0.00 -1.45 0.00 0.00 41.25 40.74 3he1 s ASN 45 CO -0.03 -0.20 0.95 -2.28 -3.72 0.00 0.00 177.10 171.82 3he1 s HIS 46 N 0.07 -0.43 -0.19 0.43 5.65 -1.26 -0.94 115.29 118.62 3he1 s HIS 46 Ca -0.01 0.80 -0.15 0.00 0.25 0.00 0.00 55.06 55.94 3he1 s HIS 46 Cb -0.03 0.43 0.05 0.00 -1.18 0.00 0.00 32.58 31.85 3he1 s HIS 46 CO 0.01 -0.37 0.49 -2.00 -0.65 0.00 0.00 174.74 172.23 3he1 s GLU 47 N -0.91 0.54 -0.11 2.88 2.12 -1.26 -5.06 118.70 116.90 3he1 s GLU 47 Ca -0.02 0.75 0.03 0.00 0.36 0.00 0.00 54.97 56.09 3he1 s GLU 47 Cb -0.01 0.20 -0.00 0.00 0.26 0.00 0.00 34.13 34.57 3he1 s GLU 47 CO 0.02 -0.10 -0.21 0.08 -0.54 0.00 0.00 175.26 174.51 3he1 s VAL 48 N 0.64 2.28 0.15 3.70 1.01 -1.26 -1.11 120.40 125.82 3he1 s VAL 48 Ca -0.03 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.06 3he1 s VAL 48 Cb -0.05 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3he1 s VAL 48 CO -0.04 0.55 -0.10 -0.51 0.00 0.00 0.00 175.10 174.99 3he1 s ILE 49 N 0.41 1.19 -0.32 2.22 2.07 -0.68 -4.95 121.20 121.14 3he1 s ILE 49 Ca -0.16 -2.07 -0.06 0.00 -1.41 0.00 0.00 60.65 56.95 3he1 s ILE 49 Cb -0.17 -1.85 0.03 0.00 0.13 0.00 0.00 42.46 40.59 3he1 s ILE 49 CO 0.07 -0.74 0.09 -0.63 -1.91 0.00 0.00 174.94 171.82 3he1 s ILE 50 N -3.31 3.80 0.37 2.00 1.09 -1.26 -1.19 121.20 122.70 3he1 s ILE 50 Ca 0.17 -1.01 0.07 0.00 -1.10 0.00 0.00 60.65 58.78 3he1 s ILE 50 Cb 0.02 -3.09 0.30 0.00 -1.06 0.00 0.00 42.46 38.63 3he1 s ILE 50 CO 0.01 -0.10 1.96 -0.65 -0.10 0.00 0.00 174.94 176.06 3he1 h PRO 51 N 8.22 0.67 -6.18 2.79 0.11 -2.07 -3.50 132.00 132.03 3he1 h PRO 51 Ca -0.26 -0.04 -0.53 0.00 0.11 0.00 0.00 66.00 65.29 3he1 h PRO 51 Cb 1.09 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.00 3he1 h PRO 51 CO 0.60 0.44 -0.52 -0.98 -0.21 0.00 0.00 178.00 177.33 3he1 s ARG 63 N -5.62 3.01 -0.16 1.05 3.03 -1.26 -5.33 118.95 113.67 3he1 s ARG 63 Ca -0.09 -0.92 0.00 0.00 2.03 0.00 0.00 55.73 56.75 3he1 s ARG 63 Cb 0.19 -2.66 0.03 0.00 -1.03 0.00 0.00 34.95 31.48 3he1 s ARG 63 CO 0.77 0.44 -0.13 0.08 -1.13 0.00 0.00 175.30 175.33 3he1 s VAL 64 N -1.95 1.58 0.34 4.99 1.01 -0.34 -4.49 120.40 121.54 3he1 s VAL 64 Ca 0.32 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 3he1 s VAL 64 Cb -0.09 -1.53 -0.10 0.00 0.00 0.00 0.00 36.38 34.66 3he1 s VAL 64 CO 0.25 0.38 0.87 -1.00 0.00 0.00 0.00 175.10 175.60 3he1 s HIS 65 N 1.47 3.51 0.20 5.22 3.76 -1.12 -1.68 115.29 126.64 3he1 s HIS 65 Ca 0.03 1.55 0.08 0.00 -0.15 0.00 0.00 55.06 56.58 3he1 s HIS 65 Cb -0.14 -2.77 -0.04 0.00 1.11 0.00 0.00 32.58 30.74 3he1 s HIS 65 CO -0.10 0.11 0.00 0.15 -0.85 0.00 0.00 174.74 174.06 3he1 s LYS 66 N -2.55 2.37 0.62 1.40 -0.14 -0.26 -4.86 119.74 116.31 3he1 s LYS 66 Ca 0.53 -1.20 -0.18 0.00 -1.36 0.00 0.00 55.97 53.76 3he1 s LYS 66 Cb -0.14 -2.30 -0.03 0.00 -1.68 0.00 0.00 37.83 33.68 3he1 s LYS 66 CO 0.19 0.43 1.12 -2.30 -0.76 0.00 0.00 175.35 174.02 3he1 n PRO 67 N -0.37 1.04 -2.88 -1.68 -0.02 -1.26 -4.43 135.00 125.40 3he1 n PRO 67 Ca -0.09 0.40 -0.40 0.00 -2.02 0.00 0.00 63.50 61.40 3he1 n PRO 67 Cb 0.56 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 3he1 n PRO 67 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3he1 s VAL 68 N -1.45 4.24 -0.24 -1.45 1.01 0.16 -4.55 120.40 118.12 3he1 s VAL 68 Ca 0.78 1.88 0.00 0.00 0.00 0.00 0.00 61.98 64.64 3he1 s VAL 68 Cb -0.40 -4.23 0.07 0.00 0.00 0.00 0.00 36.38 31.82 3he1 s VAL 68 CO 0.44 0.51 -0.01 -0.69 0.00 0.00 0.00 175.10 175.36 3he1 s VAL 69 N -1.15 1.30 0.53 2.92 1.01 -0.11 -0.23 120.40 124.68 3he1 s VAL 69 Ca 0.38 -1.20 0.09 0.00 0.00 0.00 0.00 61.98 61.26 3he1 s VAL 69 Cb -0.24 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.51 3he1 s VAL 69 CO 0.29 -0.24 0.71 0.27 0.00 0.00 0.00 175.10 176.13 3he1 s ILE 70 N 1.48 2.32 -0.11 2.22 -5.25 -0.23 -0.87 121.20 120.76 3he1 s ILE 70 Ca -0.02 -1.04 -0.07 0.00 -0.99 0.00 0.00 60.65 58.53 3he1 s ILE 70 Cb -0.18 -2.36 0.04 0.00 2.95 0.00 0.00 42.46 42.91 3he1 s ILE 70 CO -0.09 0.00 0.27 -0.89 -1.79 0.00 0.00 174.94 172.43 3he1 s THR 71 N -2.60 -0.02 0.14 8.37 2.01 -1.05 -1.66 115.64 120.82 3he1 s THR 71 Ca 0.58 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.69 3he1 s THR 71 Cb -0.06 -0.40 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 3he1 s THR 71 CO 0.36 0.03 0.10 2.29 -0.69 0.00 0.00 174.62 176.72 3he1 n LYS 72 N 3.72 0.25 -3.10 4.92 2.85 0.15 0.18 118.16 127.14 3he1 n LYS 72 Ca -0.20 -1.32 -0.18 0.00 -1.05 0.00 0.00 58.31 55.55 3he1 n LYS 72 Cb 0.55 1.03 0.02 0.00 -0.65 0.00 0.00 35.03 35.98 3he1 n LYS 72 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3he1 s VAL 73 N -2.48 2.73 0.35 0.58 -7.23 -1.26 -1.62 120.40 111.47 3he1 s VAL 73 Ca 0.15 -1.05 -0.28 0.00 -1.81 0.00 0.00 61.98 58.98 3he1 s VAL 73 Cb 0.01 -2.78 -0.10 0.00 0.56 0.00 0.00 36.38 34.06 3he1 s VAL 73 CO 0.10 0.00 1.37 -0.36 -0.31 0.00 0.00 175.10 175.91 3he1 s PHE 74 N -2.45 2.86 0.00 2.82 0.40 -1.09 -4.77 117.98 115.75 3he1 s PHE 74 Ca 0.55 1.32 0.00 0.00 -0.60 0.00 0.00 56.93 58.20 3he1 s PHE 74 Cb -0.08 -3.81 0.00 0.00 0.51 0.00 0.00 43.02 39.64 3he1 s PHE 74 CO 0.34 -2.30 0.00 -0.40 0.70 0.00 0.00 175.22 173.55 3he1 n ASP 75 N 0.63 0.00 -0.21 1.36 5.68 -1.26 -4.88 116.55 117.87 3he1 n ASP 75 Ca 0.01 -0.69 -0.02 0.00 -0.50 0.00 0.00 54.79 53.59 3he1 n ASP 75 Cb 0.41 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.58 3he1 n ASP 75 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3he1 h LYS 76 N 0.00 0.99 -0.36 0.11 3.64 -1.82 -2.63 116.57 116.49 3he1 h LYS 76 Ca 0.00 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.16 3he1 h LYS 76 Cb 0.00 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 3he1 h LYS 76 CO 0.00 0.74 -0.20 0.00 -2.27 0.00 0.00 179.45 177.72 3he1 h ALA 77 N 1.41 0.98 -0.84 5.00 0.00 -1.89 -3.36 119.26 120.57 3he1 h ALA 77 Ca 0.25 -0.35 0.17 0.00 0.00 0.00 0.00 54.91 54.98 3he1 h ALA 77 Cb 0.06 -0.15 -0.16 0.00 0.00 0.00 0.00 17.79 17.54 3he1 h ALA 77 CO -0.04 0.60 -0.20 0.77 0.00 0.00 0.00 179.25 180.38 3he1 h SER 78 N 0.60 -0.76 0.83 0.00 0.02 -1.82 1.31 113.55 113.74 3he1 h SER 78 Ca 0.09 0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 61.25 3he1 h SER 78 Cb 0.67 0.51 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 3he1 h SER 78 CO 0.05 -0.27 -0.19 -0.65 -1.14 0.00 0.00 176.83 174.62 3he1 h PRO 79 N 0.00 0.00 -0.04 3.45 0.11 -1.74 -2.53 132.00 131.26 3he1 h PRO 79 Ca 0.41 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.40 3he1 h PRO 79 Cb 0.63 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.74 3he1 h PRO 79 CO -0.86 0.19 -0.42 -0.07 -0.21 0.00 0.00 178.00 176.63 3he1 h LEU 80 N 0.00 0.44 -1.30 2.35 3.38 0.14 -2.81 115.31 117.51 3he1 h LEU 80 Ca -0.00 -0.71 -0.03 0.00 0.09 0.00 0.00 57.88 57.23 3he1 h LEU 80 Cb 0.66 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3he1 h LEU 80 CO 0.02 1.08 0.14 -0.07 0.09 0.00 0.00 178.44 179.71 3he1 h LEU 81 N -0.16 0.57 -0.40 1.67 3.38 -0.48 0.17 115.31 120.05 3he1 h LEU 81 Ca -0.04 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3he1 h LEU 81 Cb 1.11 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3he1 h LEU 81 CO 0.09 0.54 0.13 -0.07 0.09 0.00 0.00 178.44 179.21 3he1 h LEU 82 N 0.61 0.58 -0.55 1.67 3.38 -1.49 0.56 115.31 120.06 3he1 h LEU 82 Ca 0.15 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3he1 h LEU 82 Cb 0.17 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3he1 h LEU 82 CO -0.01 0.63 0.31 0.00 0.09 0.00 0.00 178.44 179.46 3he1 h ALA 83 N 0.97 0.71 -0.27 1.53 0.00 -0.97 0.14 119.26 121.37 3he1 h ALA 83 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3he1 h ALA 83 Cb 0.25 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 3he1 h ALA 83 CO -0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 179.25 179.04 3he1 h ALA 84 N 1.27 -0.03 0.29 0.00 0.00 -0.15 0.16 119.26 120.80 3he1 h ALA 84 Ca 0.23 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3he1 h ALA 84 Cb 0.09 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3he1 h ALA 84 CO -0.13 -0.61 -0.14 1.25 0.00 0.00 0.00 179.25 179.62 3he1 h LEU 85 N -0.19 -0.33 -1.42 0.00 6.46 -0.24 -2.14 115.31 117.46 3he1 h LEU 85 Ca 0.15 -0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.80 3he1 h LEU 85 Cb 0.41 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 3he1 h LEU 85 CO -0.38 -0.16 -0.28 0.71 -0.62 0.00 0.00 178.44 177.71 3he1 h THR 86 N -0.48 0.97 0.00 1.05 1.35 -0.83 -2.40 112.91 112.57 3he1 h THR 86 Ca -0.04 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 3he1 h THR 86 Cb 0.36 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 3he1 h THR 86 CO 0.07 0.27 -0.39 -1.54 -0.25 0.00 0.00 175.52 173.68 3he1 n SER 87 N -3.87 0.75 -1.46 5.36 3.41 0.03 -4.93 113.62 112.91 3he1 n SER 87 Ca -0.02 0.29 -0.13 0.00 -0.26 0.00 0.00 58.87 58.75 3he1 n SER 87 Cb 0.36 -0.21 -0.01 0.00 -0.26 0.00 0.00 64.21 64.10 3he1 n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3he1 n GLY 88 N 1.33 -0.01 3.68 5.00 0.00 -0.86 -4.97 105.19 109.35 3he1 n GLY 88 Ca 0.04 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3he1 n GLY 88 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3he1 s GLU 89 N -4.50 4.26 0.28 1.61 2.12 -0.88 -4.99 118.70 116.60 3he1 s GLU 89 Ca 0.00 1.91 -0.30 0.00 0.36 0.00 0.00 54.97 56.94 3he1 s GLU 89 Cb 0.00 -3.70 -0.11 0.00 0.26 0.00 0.00 34.13 30.58 3he1 s GLU 89 CO 0.00 -0.65 1.53 0.50 -0.54 0.00 0.00 175.26 176.10 3he1 s ARG 90 N 2.97 4.18 -0.39 4.30 3.52 -1.26 -4.60 118.95 127.67 3he1 s ARG 90 Ca 0.63 2.47 -0.12 0.00 -0.13 0.00 0.00 55.73 58.58 3he1 s ARG 90 Cb -0.29 -3.05 0.03 0.00 -1.56 0.00 0.00 34.95 30.08 3he1 s ARG 90 CO 0.24 -0.54 0.24 -0.51 -0.81 0.00 0.00 175.30 173.92 3he1 s LEU 91 N -0.58 4.90 0.20 -0.88 1.43 0.23 -2.40 118.68 121.57 3he1 s LEU 91 Ca 0.61 -1.03 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 3he1 s LEU 91 Cb -0.45 -2.06 0.20 0.00 0.03 0.00 0.00 46.19 43.91 3he1 s LEU 91 CO 0.47 -0.43 1.65 0.74 0.23 0.00 0.00 176.35 179.01 3he1 h THR 92 N 5.83 0.48 -3.19 5.49 2.02 -1.71 0.75 112.91 122.58 3he1 h THR 92 Ca -0.26 -0.01 -0.25 0.00 0.77 0.00 0.00 66.41 66.67 3he1 h THR 92 Cb 1.11 0.44 -0.32 0.00 -1.74 0.00 0.00 68.15 67.64 3he1 h THR 92 CO 0.70 0.01 -0.59 -0.75 0.37 0.00 0.00 175.52 175.26 3he1 s LYS 93 N -6.21 0.09 -0.15 6.66 2.20 -1.19 -1.94 119.74 119.22 3he1 s LYS 93 Ca -0.14 0.44 0.01 0.00 -0.36 0.00 0.00 55.97 55.91 3he1 s LYS 93 Cb 0.18 -0.19 -0.00 0.00 -1.51 0.00 0.00 37.83 36.31 3he1 s LYS 93 CO 0.73 -0.20 -0.16 0.08 -0.36 0.00 0.00 175.35 175.44 3he1 s VAL 94 N 1.43 2.62 -0.10 4.02 1.01 -0.77 -1.60 120.40 127.02 3he1 s VAL 94 Ca -0.07 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 3he1 s VAL 94 Cb -0.12 -2.10 0.03 0.00 0.00 0.00 0.00 36.38 34.20 3he1 s VAL 94 CO -0.06 0.52 -0.03 -0.70 0.00 0.00 0.00 175.10 174.83 3he1 s GLU 95 N 0.74 1.02 -0.23 2.72 2.12 -0.92 0.14 118.70 124.29 3he1 s GLU 95 Ca -0.07 -0.08 -0.13 0.00 0.36 0.00 0.00 54.97 55.06 3he1 s GLU 95 Cb -0.16 -1.29 -0.05 0.00 0.26 0.00 0.00 34.13 32.89 3he1 s GLU 95 CO 0.01 -0.30 0.25 0.42 -0.54 0.00 0.00 175.26 175.10 3he1 s ILE 96 N 1.85 5.29 -0.20 -3.70 -1.09 0.18 -2.25 121.20 121.28 3he1 s ILE 96 Ca 0.05 0.37 -0.03 0.00 -2.23 0.00 0.00 60.65 58.81 3he1 s ILE 96 Cb -0.13 -3.59 -0.01 0.00 -1.58 0.00 0.00 42.46 37.16 3he1 s ILE 96 CO -0.07 0.30 -0.06 -1.10 -1.23 0.00 0.00 174.94 172.78 3he1 s GLN 97 N 1.25 3.38 -0.14 2.79 -0.21 0.48 -1.20 119.66 126.02 3he1 s GLN 97 Ca 0.12 -0.64 -0.14 0.00 0.02 0.00 0.00 55.36 54.71 3he1 s GLN 97 Cb -0.14 -2.92 -0.05 0.00 1.00 0.00 0.00 33.01 30.90 3he1 s GLN 97 CO 0.06 -0.11 0.33 -1.58 -2.12 0.00 0.00 175.29 171.87 3he1 s TRP 98 N 1.23 3.50 0.09 0.91 0.52 0.46 -1.46 118.94 124.19 3he1 s TRP 98 Ca 0.03 0.68 0.09 0.00 0.02 0.00 0.00 56.10 56.92 3he1 s TRP 98 Cb -0.14 -2.36 -0.04 0.00 -1.15 0.00 0.00 33.47 29.78 3he1 s TRP 98 CO -0.02 0.29 -0.23 0.71 0.02 0.00 0.00 176.95 177.72 3he1 s TYR 99 N 0.28 2.42 0.24 -1.98 2.02 -0.92 -1.16 117.35 118.27 3he1 s TYR 99 Ca 0.19 -0.33 -0.05 0.00 -0.37 0.00 0.00 57.07 56.50 3he1 s TYR 99 Cb -0.14 -1.35 -0.02 0.00 -0.40 0.00 0.00 41.96 40.06 3he1 s TYR 99 CO 0.06 0.29 0.32 -0.98 -1.57 0.00 0.00 175.55 173.67 3he1 s ARG 100 N -1.80 1.46 -0.18 -0.62 1.70 -0.41 -4.07 118.95 115.03 3he1 s ARG 100 Ca 0.15 -1.52 -0.24 0.00 -0.47 0.00 0.00 55.73 53.65 3he1 s ARG 100 Cb -0.10 0.37 -0.02 0.00 -0.57 0.00 0.00 34.95 34.64 3he1 s ARG 100 CO 0.06 -0.56 0.80 0.99 -1.08 0.00 0.00 175.30 175.52 3he1 s THR 101 N -3.92 4.90 1.21 4.99 2.01 -1.26 -0.14 115.64 123.42 3he1 s THR 101 Ca 0.31 1.56 -0.19 0.00 0.31 0.00 0.00 61.69 63.68 3he1 s THR 101 Cb 0.03 -4.10 0.29 0.00 0.01 0.00 0.00 72.50 68.72 3he1 s THR 101 CO 0.13 0.03 1.09 -0.94 -0.69 0.00 0.00 174.62 174.24 3he1 s SER 102 N 1.18 0.87 0.41 3.53 1.04 0.74 -4.88 113.70 116.59 3he1 s SER 102 Ca 0.36 0.70 0.10 0.00 0.48 0.00 0.00 55.95 57.59 3he1 s SER 102 Cb -0.16 -1.00 0.87 0.00 0.10 0.00 0.00 66.02 65.83 3he1 s SER 102 CO 0.12 -4.16 1.99 0.00 0.98 0.00 0.00 173.24 172.16 3he1 h ALA 103 N -2.61 1.63 -0.33 5.32 0.00 -1.97 -2.94 119.26 118.37 3he1 h ALA 103 Ca -0.46 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3he1 h ALA 103 Cb 1.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3he1 h ALA 103 CO 0.36 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.89 3he1 n ALA 104 N -2.49 2.61 -0.77 0.00 0.00 -1.26 -4.91 120.51 113.68 3he1 n ALA 104 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.77 3he1 n ALA 104 Cb 0.18 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3he1 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3he1 n GLY 105 N 0.88 0.55 3.23 0.00 0.00 -1.11 -5.05 105.19 103.69 3he1 n GLY 105 Ca 0.12 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 3he1 n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3he1 s THR 106 N -2.00 1.63 0.18 2.61 2.01 -1.26 -4.81 115.64 113.99 3he1 s THR 106 Ca 0.00 -1.03 -0.31 0.00 0.31 0.00 0.00 61.69 60.66 3he1 s THR 106 Cb 0.00 -1.39 -0.09 0.00 0.01 0.00 0.00 72.50 71.03 3he1 s THR 106 CO 0.00 0.33 1.47 -1.10 -0.69 0.00 0.00 174.62 174.62 3he1 s GLN 107 N -0.83 4.27 0.04 4.92 -1.52 -1.26 -0.19 119.66 125.09 3he1 s GLN 107 Ca 0.08 2.25 0.02 0.00 -1.95 0.00 0.00 55.36 55.75 3he1 s GLN 107 Cb -0.08 -3.17 -0.02 0.00 -0.22 0.00 0.00 33.01 29.52 3he1 s GLN 107 CO 0.00 -0.48 -0.08 -1.83 -0.25 0.00 0.00 175.29 172.66 3he1 s GLU 108 N 0.61 0.52 -0.31 2.91 -1.05 0.80 -4.87 118.70 117.30 3he1 s GLU 108 Ca 0.65 -0.68 -0.29 0.00 -0.15 0.00 0.00 54.97 54.49 3he1 s GLU 108 Cb -0.41 -0.31 0.01 0.00 -0.44 0.00 0.00 34.13 32.98 3he1 s GLU 108 CO 0.35 0.06 1.16 -1.58 0.95 0.00 0.00 175.26 176.20 3he1 s HIS 109 N -1.21 2.97 0.00 4.83 5.65 -1.26 -1.29 115.29 124.98 3he1 s HIS 109 Ca -0.08 1.06 0.00 0.00 0.25 0.00 0.00 55.06 56.29 3he1 s HIS 109 Cb -0.09 -3.78 0.00 0.00 -1.18 0.00 0.00 32.58 27.53 3he1 s HIS 109 CO 0.00 -1.16 0.00 2.48 -0.65 0.00 0.00 174.74 175.42 3he1 n TYR 110 N 7.14 0.00 -3.88 3.88 0.18 -0.31 -4.70 117.16 119.47 3he1 n TYR 110 Ca 0.13 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.80 3he1 n TYR 110 Cb 0.47 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.33 3he1 n TYR 110 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 3he1 s TYR 111 N -1.35 0.08 -0.02 -3.48 5.04 -1.19 0.52 117.35 116.95 3he1 s TYR 111 Ca 0.00 -0.22 0.01 0.00 -2.44 0.00 0.00 57.07 54.42 3he1 s TYR 111 Cb 0.00 -0.07 0.01 0.00 0.35 0.00 0.00 41.96 42.25 3he1 s TYR 111 CO 0.00 -0.31 -0.04 0.99 -1.34 0.00 0.00 175.55 174.85 3he1 s THR 112 N -1.69 0.42 -0.08 4.34 2.01 0.69 -0.40 115.64 120.92 3he1 s THR 112 Ca -0.12 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 61.75 3he1 s THR 112 Cb -0.06 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 3he1 s THR 112 CO 0.00 0.15 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.01 3he1 s THR 113 N 0.31 2.66 -0.04 -0.82 2.01 -0.34 -0.79 115.64 118.64 3he1 s THR 113 Ca -0.03 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.12 3he1 s THR 113 Cb -0.07 -2.05 0.03 0.00 0.01 0.00 0.00 72.50 70.42 3he1 s THR 113 CO -0.00 0.56 0.06 -0.69 -0.69 0.00 0.00 174.62 173.86 3he1 s VAL 114 N -0.09 -0.08 -0.11 3.82 1.01 -0.55 0.50 120.40 124.90 3he1 s VAL 114 Ca -0.04 0.27 -0.10 0.00 0.00 0.00 0.00 61.98 62.12 3he1 s VAL 114 Cb -0.14 -0.13 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 3he1 s VAL 114 CO 0.04 0.11 0.22 -0.76 0.00 0.00 0.00 175.10 174.71 3he1 s LEU 115 N 1.43 4.37 -0.07 3.92 1.43 0.36 -1.69 118.68 128.45 3he1 s LEU 115 Ca -0.05 0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 53.60 3he1 s LEU 115 Cb -0.12 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 3he1 s LEU 115 CO -0.04 0.33 -0.01 -1.61 0.23 0.00 0.00 176.35 175.26 3he1 s GLU 116 N -0.71 2.91 -1.41 1.70 2.02 -0.92 -1.84 118.70 120.45 3he1 s GLU 116 Ca 0.16 -0.47 -0.00 0.00 0.02 0.00 0.00 54.97 54.68 3he1 s GLU 116 Cb -0.13 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.36 3he1 s GLU 116 CO 0.05 0.68 0.40 -0.25 0.02 0.00 0.00 175.26 176.17 3he1 n ASP 117 N 1.99 -0.31 -4.90 -0.19 8.00 -0.82 -1.74 116.55 118.58 3he1 n ASP 117 Ca -0.18 -1.02 -0.29 0.00 0.71 0.00 0.00 54.79 54.02 3he1 n ASP 117 Cb 0.53 -2.99 0.04 0.00 -0.02 0.00 0.00 41.12 38.69 3he1 n ASP 117 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3he1 s ALA 118 N -3.97 3.04 -0.11 2.24 0.00 0.21 -3.37 121.76 119.81 3he1 s ALA 118 Ca 0.01 -0.49 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 3he1 s ALA 118 Cb -0.00 -2.86 0.05 0.00 0.00 0.00 0.00 23.12 20.31 3he1 s ALA 118 CO 0.89 -1.03 0.24 0.42 0.00 0.00 0.00 175.76 176.28 3he1 s ILE 119 N -3.23 -0.15 -0.19 0.00 1.01 0.13 0.75 121.20 119.52 3he1 s ILE 119 Ca 0.57 0.20 -0.29 0.00 0.00 0.00 0.00 60.65 61.12 3he1 s ILE 119 Cb -0.11 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.96 3he1 s ILE 119 CO 0.49 0.08 1.39 -0.63 0.00 0.00 0.00 174.94 176.28 3he1 s ILE 120 N 1.61 4.04 -0.33 2.92 1.01 -1.26 -0.51 121.20 128.67 3he1 s ILE 120 Ca -0.06 1.22 0.17 0.00 0.00 0.00 0.00 60.65 61.98 3he1 s ILE 120 Cb -0.11 -3.90 -0.24 0.00 0.01 0.00 0.00 42.46 38.22 3he1 s ILE 120 CO -0.08 -0.24 0.52 1.33 0.00 0.00 0.00 174.94 176.47 3he1 n VAL 121 N 5.78 0.00 -3.59 2.92 0.24 0.15 -4.60 118.33 119.24 3he1 n VAL 121 Ca 0.15 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.34 62.05 3he1 n VAL 121 Cb 0.45 0.45 -0.06 0.00 -1.47 0.00 0.00 33.84 33.21 3he1 n VAL 121 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3he1 s ASP 122 N -3.47 -0.51 0.01 -1.34 1.01 -1.23 -5.01 116.67 106.12 3he1 s ASP 122 Ca -0.01 0.76 0.03 0.00 0.71 0.00 0.00 52.55 54.04 3he1 s ASP 122 Cb 0.12 0.69 -0.01 0.00 1.01 0.00 0.00 42.92 44.73 3he1 s ASP 122 CO 0.72 -0.33 -0.09 -0.63 0.21 0.00 0.00 175.17 175.05 3he1 s ILE 123 N -0.52 0.68 -0.06 0.77 1.01 -1.26 -1.23 121.20 120.58 3he1 s ILE 123 Ca -0.02 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.05 3he1 s ILE 123 Cb -0.02 -0.61 0.02 0.00 0.01 0.00 0.00 42.46 41.85 3he1 s ILE 123 CO 0.01 0.03 -0.08 -0.75 0.00 0.00 0.00 174.94 174.15 3he1 s LYS 124 N -0.62 1.32 -0.16 2.79 2.20 -0.63 -5.00 119.74 119.64 3he1 s LYS 124 Ca 0.00 -0.26 -0.04 0.00 -0.36 0.00 0.00 55.97 55.31 3he1 s LYS 124 Cb -0.05 -1.21 -0.03 0.00 -1.51 0.00 0.00 37.83 35.03 3he1 s LYS 124 CO 0.00 -0.07 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.40 3he1 s ASP 125 N 0.95 4.94 0.00 1.43 1.01 -1.26 -1.27 116.67 122.47 3he1 s ASP 125 Ca -0.10 -0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.06 3he1 s ASP 125 Cb -0.15 -1.82 0.00 0.00 1.01 0.00 0.00 42.92 41.97 3he1 s ASP 125 CO 0.00 0.16 0.00 0.00 0.21 0.00 0.00 175.17 175.54 3he1 n TYR 126 N 3.60 0.00 0.00 4.23 0.18 -1.09 -4.99 117.16 119.09 3he1 n TYR 126 Ca -0.17 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.61 3he1 n TYR 126 Cb 0.52 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 3he1 n TYR 126 CO 0.00 0.00 0.00 1.58 -2.08 0.00 0.00 176.86 176.36 3he1 n HIS 128 N 0.00 0.00 -0.01 -3.48 -0.00 -1.26 -0.67 115.22 109.80 3he1 n HIS 128 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3he1 n HIS 128 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 3he1 n HIS 128 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 3he1 n PHE 138 N 0.00 0.00 0.02 1.57 3.01 -1.26 -4.92 117.46 115.88 3he1 n PHE 138 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.50 3he1 n PHE 138 Cb 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.37 3he1 n PHE 138 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 3he1 n THR 139 N 0.04 0.79 -3.60 4.37 5.66 -1.26 -4.78 114.28 115.50 3he1 n THR 139 Ca 0.00 -0.63 -0.39 0.00 -3.05 0.00 0.00 64.05 59.97 3he1 n THR 139 Cb 0.00 -0.42 -0.11 0.00 -1.55 0.00 0.00 70.33 68.25 3he1 n THR 139 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3he1 s HIS 140 N -3.12 3.20 0.49 1.09 3.76 -1.26 -5.03 115.29 114.42 3he1 s HIS 140 Ca -0.05 -0.50 0.03 0.00 -0.15 0.00 0.00 55.06 54.40 3he1 s HIS 140 Cb 0.10 -2.41 -0.02 0.00 1.11 0.00 0.00 32.58 31.35 3he1 s HIS 140 CO 0.83 -0.45 0.05 -0.51 -0.85 0.00 0.00 174.74 173.82 3he1 s LEU 141 N 1.64 2.51 -0.30 0.89 1.43 0.16 -2.66 118.68 122.35 3he1 s LEU 141 Ca 0.05 -1.52 -0.18 0.00 -1.03 0.00 0.00 54.13 51.45 3he1 s LEU 141 Cb -0.17 -0.86 0.18 0.00 0.03 0.00 0.00 46.19 45.37 3he1 s LEU 141 CO 0.08 -0.77 1.24 -0.70 0.23 0.00 0.00 176.35 176.43 3he1 s GLU 142 N -3.88 0.04 0.10 1.70 2.12 -0.64 -2.67 118.70 115.47 3he1 s GLU 142 Ca 0.17 0.07 -0.20 0.00 0.36 0.00 0.00 54.97 55.37 3he1 s GLU 142 Cb 0.03 0.04 -0.07 0.00 0.26 0.00 0.00 34.13 34.39 3he1 s GLU 142 CO 0.09 -0.03 0.61 -0.51 -0.54 0.00 0.00 175.26 174.88 3he1 s ASP 143 N 2.73 7.12 -0.04 -1.70 1.01 -0.40 -0.67 116.67 124.72 3he1 s ASP 143 Ca -0.07 1.34 0.04 0.00 0.71 0.00 0.00 52.55 54.57 3he1 s ASP 143 Cb -0.06 -2.39 -0.00 0.00 1.01 0.00 0.00 42.92 41.48 3he1 s ASP 143 CO -0.10 0.25 -0.16 -0.69 0.21 0.00 0.00 175.17 174.69 3he1 s VAL 144 N -1.14 1.30 -0.18 -1.27 1.01 -0.67 -1.60 120.40 117.86 3he1 s VAL 144 Ca 0.31 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 3he1 s VAL 144 Cb -0.20 -1.12 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 3he1 s VAL 144 CO 0.20 0.38 -0.12 -1.00 0.00 0.00 0.00 175.10 174.56 3he1 s HIS 145 N 0.00 2.84 -0.07 5.22 3.76 -0.36 -1.06 115.29 125.62 3he1 s HIS 145 Ca -0.02 -1.10 0.01 0.00 -0.15 0.00 0.00 55.06 53.79 3he1 s HIS 145 Cb -0.10 -1.96 -0.03 0.00 1.11 0.00 0.00 32.58 31.59 3he1 s HIS 145 CO 0.01 -0.55 -0.07 -0.06 -0.85 0.00 0.00 174.74 173.22 3he1 s PHE 146 N 1.10 2.92 0.60 1.40 0.08 0.69 0.33 117.98 125.09 3he1 s PHE 146 Ca 0.00 -0.01 0.07 0.00 0.12 0.00 0.00 56.93 57.11 3he1 s PHE 146 Cb -0.14 -1.72 0.09 0.00 -0.57 0.00 0.00 43.02 40.68 3he1 s PHE 146 CO -0.04 0.30 0.83 0.95 -0.10 0.00 0.00 175.22 177.16 3he1 s THR 147 N -0.74 2.23 -0.03 0.64 -4.23 0.33 -0.67 115.64 113.17 3he1 s THR 147 Ca 0.11 -0.89 -0.30 0.00 -1.18 0.00 0.00 61.69 59.43 3he1 s THR 147 Cb -0.11 -2.34 0.11 0.00 1.34 0.00 0.00 72.50 71.50 3he1 s THR 147 CO 0.01 0.00 1.08 -0.72 -0.54 0.00 0.00 174.62 174.45 3he1 s TYR 148 N -2.76 -0.18 -0.09 3.99 -0.85 -1.26 -0.70 117.35 115.50 3he1 s TYR 148 Ca 0.62 0.04 0.15 0.00 -0.52 0.00 0.00 57.07 57.36 3he1 s TYR 148 Cb -0.06 0.55 -0.14 0.00 0.38 0.00 0.00 41.96 42.69 3he1 s TYR 148 CO 0.40 -0.44 0.88 -0.09 -1.52 0.00 0.00 175.55 174.78 3he1 h ARG 149 N 2.00 0.00 -2.09 -3.49 2.43 -1.34 -3.40 114.38 108.48 3he1 h ARG 149 Ca -0.20 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.91 3he1 h ARG 149 Cb 1.21 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 30.56 3he1 h ARG 149 CO 0.27 0.40 0.13 0.21 -1.51 0.00 0.00 179.97 179.46 3he1 s LYS 150 N -2.84 0.96 -0.02 0.20 2.20 -1.23 -1.74 119.74 117.27 3he1 s LYS 150 Ca -0.02 0.43 0.03 0.00 -0.36 0.00 0.00 55.97 56.05 3he1 s LYS 150 Cb 0.08 0.45 -0.00 0.00 -1.51 0.00 0.00 37.83 36.86 3he1 s LYS 150 CO 0.81 -0.25 -0.11 -1.50 -0.36 0.00 0.00 175.35 173.94 3he1 s ILE 151 N -0.75 0.86 -0.07 5.43 2.07 -0.25 -2.18 121.20 126.32 3he1 s ILE 151 Ca -0.08 -0.44 0.04 0.00 -1.41 0.00 0.00 60.65 58.77 3he1 s ILE 151 Cb -0.02 -0.74 -0.00 0.00 0.13 0.00 0.00 42.46 41.83 3he1 s ILE 151 CO 0.07 0.25 -0.21 -0.89 -1.91 0.00 0.00 174.94 172.26 3he1 s THR 152 N -0.08 1.74 -0.13 4.00 2.01 -0.68 -0.37 115.64 122.14 3he1 s THR 152 Ca 0.01 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.15 3he1 s THR 152 Cb -0.06 -1.50 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 3he1 s THR 152 CO 0.00 0.49 -0.14 0.26 -0.69 0.00 0.00 174.62 174.54 3he1 s TRP 153 N 0.15 2.79 -0.04 4.92 0.51 0.46 -1.48 118.94 126.24 3he1 s TRP 153 Ca -0.09 -0.70 0.00 0.00 -2.12 0.00 0.00 56.10 53.19 3he1 s TRP 153 Cb -0.14 -1.84 0.03 0.00 -0.81 0.00 0.00 33.47 30.70 3he1 s TRP 153 CO 0.05 -0.24 -0.01 0.99 -0.51 0.00 0.00 176.95 177.22 3he1 s THR 154 N 0.38 0.26 -0.21 2.01 2.01 0.03 -0.15 115.64 119.98 3he1 s THR 154 Ca -0.11 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 61.74 3he1 s THR 154 Cb -0.16 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 3he1 s THR 154 CO 0.06 0.17 0.58 -2.28 -0.69 0.00 0.00 174.62 172.46 3he1 s HIS 155 N 1.10 3.35 -0.17 4.92 2.46 0.19 -0.22 115.29 126.93 3he1 s HIS 155 Ca -0.09 0.84 0.16 0.00 0.47 0.00 0.00 55.06 56.44 3he1 s HIS 155 Cb -0.14 -2.76 0.05 0.00 -0.13 0.00 0.00 32.58 29.61 3he1 s HIS 155 CO -0.02 -0.18 1.36 0.93 -2.47 0.00 0.00 174.74 174.37 3he1 h GLU 156 N 7.57 0.00 0.01 2.88 4.39 -0.21 -2.58 114.58 126.65 3he1 h GLU 156 Ca -0.31 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.00 3he1 h GLU 156 Cb 1.14 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.73 3he1 h GLU 156 CO 0.76 0.44 -2.41 0.28 -1.16 0.00 0.00 179.01 176.91 3he1 n VAL 157 N -3.16 1.52 0.60 3.13 0.31 -1.25 -4.53 118.33 114.94 3he1 n VAL 157 Ca 0.01 -0.60 0.11 0.00 -0.01 0.00 0.00 64.34 63.85 3he1 n VAL 157 Cb 0.73 -1.38 0.08 0.00 -0.91 0.00 0.00 33.84 32.37 3he1 n VAL 157 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3he1 n SER 158 N -3.24 0.64 0.00 4.52 7.64 -1.26 -4.99 113.62 116.93 3he1 n SER 158 Ca -0.43 -0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.33 3he1 n SER 158 Cb 1.01 0.57 0.00 0.00 -1.01 0.00 0.00 64.21 64.78 3he1 n SER 158 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3he1 n GLY 159 N 1.37 0.59 3.86 0.23 0.00 -0.98 -5.05 105.19 105.22 3he1 n GLY 159 Ca 0.03 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 3he1 n GLY 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3he1 s THR 160 N -2.00 4.81 0.24 2.61 -4.23 -1.22 -4.91 115.64 110.95 3he1 s THR 160 Ca 0.00 0.70 -0.12 0.00 -1.18 0.00 0.00 61.69 61.09 3he1 s THR 160 Cb 0.00 -3.62 -0.00 0.00 1.34 0.00 0.00 72.50 70.22 3he1 s THR 160 CO 0.00 -0.11 0.45 -0.94 -0.54 0.00 0.00 174.62 173.48 3he1 s SER 161 N -2.30 -0.08 -0.23 3.99 1.04 -1.26 0.57 113.70 115.43 3he1 s SER 161 Ca 0.50 -0.92 -0.30 0.00 0.48 0.00 0.00 55.95 55.71 3he1 s SER 161 Cb -0.11 0.57 0.16 0.00 0.10 0.00 0.00 66.02 66.74 3he1 s SER 161 CO 0.19 -1.11 1.21 -0.83 0.98 0.00 0.00 173.24 173.68 3he1 s GLY 162 N -3.01 -0.07 0.16 7.32 0.00 0.79 -4.97 107.32 107.52 3he1 s GLY 162 Ca 0.22 2.45 -0.13 0.00 0.00 0.00 0.00 44.72 47.26 3he1 s GLY 162 CO 0.08 1.05 0.36 -1.35 0.00 0.00 0.00 173.10 173.24 3he1 s SER 163 N -1.12 -0.09 -0.13 1.64 1.04 -1.26 0.17 113.70 113.96 3he1 s SER 163 Ca 0.05 -0.63 -0.30 0.00 0.48 0.00 0.00 55.95 55.55 3he1 s SER 163 Cb -0.01 0.47 0.13 0.00 0.10 0.00 0.00 66.02 66.71 3he1 s SER 163 CO -0.04 -0.91 1.02 -0.62 0.98 0.00 0.00 173.24 173.67 3he1 s ASP 164 N -2.90 -0.32 -0.07 7.02 2.15 0.51 -4.98 116.67 118.08 3he1 s ASP 164 Ca 0.11 0.24 -0.26 0.00 0.43 0.00 0.00 52.55 53.07 3he1 s ASP 164 Cb 0.02 0.29 -0.03 0.00 -0.30 0.00 0.00 42.92 42.90 3he1 s ASP 164 CO -0.05 -0.38 0.82 -0.62 -0.17 0.00 0.00 175.17 174.78 3he1 s ASP 165 N -1.54 7.11 0.32 -0.34 2.15 -1.26 -1.09 116.67 122.01 3he1 s ASP 165 Ca 0.02 1.34 -0.26 0.00 0.43 0.00 0.00 52.55 54.07 3he1 s ASP 165 Cb -0.01 -2.47 -0.14 0.00 -0.30 0.00 0.00 42.92 40.00 3he1 s ASP 165 CO -0.02 -0.22 0.83 1.87 -0.17 0.00 0.00 175.17 177.45 3he1 n TRP 166 N 4.11 0.58 -4.16 -5.34 -0.00 -0.71 -4.96 117.44 106.97 3he1 n TRP 166 Ca 0.02 0.71 -0.16 0.00 -0.00 0.00 0.00 57.50 58.08 3he1 n TRP 166 Cb 0.51 -2.14 -0.13 0.00 -0.00 0.00 0.00 31.31 29.55 3he1 n TRP 166 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 177.69 178.19 3he1 s ARG 167 N -1.51 0.62 0.00 5.87 3.52 -1.26 -4.98 118.95 121.21 3he1 s ARG 167 Ca 0.61 -0.64 0.00 0.00 -0.13 0.00 0.00 55.73 55.56 3he1 s ARG 167 Cb -0.70 -0.51 0.00 0.00 -1.56 0.00 0.00 34.95 32.18 3he1 s ARG 167 CO 0.59 0.12 0.00 0.43 -0.81 0.00 0.00 175.30 175.62