#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hyq n HIS 32 N 0.00 -2.45 -5.14 -1.77 8.25 -1.26 -5.01 115.22 107.84 3hyq n HIS 32 Ca 0.00 0.87 -0.31 0.00 -0.26 0.00 0.00 57.72 58.02 3hyq n HIS 32 Cb 0.00 -4.46 -0.17 0.00 1.12 0.00 0.00 29.99 26.48 3hyq n HIS 32 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hyq s LEU 33 N -6.37 2.03 0.32 2.41 1.43 -1.26 -2.45 118.68 114.78 3hyq s LEU 33 Ca 0.49 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 3hyq s LEU 33 Cb -0.21 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 3hyq s LEU 33 CO 0.62 0.18 0.32 0.00 0.23 0.00 0.00 176.35 177.70 3hyq s ALA 34 N 0.15 1.45 0.08 4.21 0.00 -0.19 -4.35 121.76 123.10 3hyq s ALA 34 Ca -0.11 -1.86 -0.17 0.00 0.00 0.00 0.00 51.96 49.82 3hyq s ALA 34 Cb -0.15 1.37 0.04 0.00 0.00 0.00 0.00 23.12 24.37 3hyq s ALA 34 CO 0.06 -0.69 0.41 -0.59 0.00 0.00 0.00 175.76 174.94 3hyq s PHE 35 N -3.42 -0.24 -0.03 0.00 -0.12 0.07 -3.89 117.98 110.35 3hyq s PHE 35 Ca 0.37 0.08 0.01 0.00 -0.05 0.00 0.00 56.93 57.34 3hyq s PHE 35 Cb 0.02 0.23 0.02 0.00 -0.63 0.00 0.00 43.02 42.67 3hyq s PHE 35 CO 0.24 -0.63 -0.02 -1.12 -0.05 0.00 0.00 175.22 173.64 3hyq s SER 36 N -2.35 0.55 -0.02 1.98 0.01 -0.77 -1.63 113.70 111.48 3hyq s SER 36 Ca -0.02 -0.06 0.06 0.00 1.31 0.00 0.00 55.95 57.24 3hyq s SER 36 Cb 0.00 -0.26 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 3hyq s SER 36 CO -0.07 -0.07 -0.19 0.00 0.41 0.00 0.00 173.24 173.32 3hyq s TRP 38 N -0.43 3.01 -0.12 0.00 0.52 0.03 -2.04 118.94 119.91 3hyq s TRP 38 Ca 0.07 -0.90 -0.05 0.00 0.02 0.00 0.00 56.10 55.24 3hyq s TRP 38 Cb -0.08 -2.14 -0.04 0.00 -1.15 0.00 0.00 33.47 30.06 3hyq s TRP 38 CO -0.01 -0.53 0.06 -0.51 0.02 0.00 0.00 176.95 175.98 3hyq s LEU 39 N 1.49 3.87 0.13 2.99 1.43 -1.26 -1.51 118.68 125.82 3hyq s LEU 39 Ca 0.05 0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.45 3hyq s LEU 39 Cb -0.15 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3hyq s LEU 39 CO -0.02 0.32 -0.20 -0.36 0.23 0.00 0.00 176.35 176.33 3hyq s PHE 40 N -0.54 1.83 0.58 0.29 0.40 0.07 -0.80 117.98 119.81 3hyq s PHE 40 Ca 0.10 -0.44 0.06 0.00 -0.60 0.00 0.00 56.93 56.05 3hyq s PHE 40 Cb -0.12 -0.96 0.10 0.00 0.51 0.00 0.00 43.02 42.55 3hyq s PHE 40 CO 0.02 0.27 0.79 0.27 0.70 0.00 0.00 175.22 177.27 3hyq n ASN 41 N 0.73 1.67 0.27 1.36 2.04 -0.11 -0.86 115.26 120.36 3hyq n ASN 41 Ca -0.17 -2.27 0.15 0.00 -0.44 0.00 0.00 54.58 51.86 3hyq n ASN 41 Cb 0.55 -0.46 0.76 0.00 -2.53 0.00 0.00 39.78 38.11 3hyq n ASN 41 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 3hyq h GLU 42 N 0.00 0.00 -0.01 -3.83 4.11 -1.90 -1.01 114.58 111.94 3hyq h GLU 42 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 3hyq h GLU 42 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3hyq h GLU 42 CO 0.34 0.09 0.00 -0.25 0.07 0.00 0.00 179.01 179.26 3hyq n ASP 43 N -3.40 0.68 0.00 3.06 8.00 -1.26 -4.91 116.55 118.71 3hyq n ASP 43 Ca -0.01 -1.24 0.00 0.00 0.71 0.00 0.00 54.79 54.25 3hyq n ASP 43 Cb 0.25 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 3hyq n ASP 43 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hyq n GLY 44 N 1.07 0.56 3.84 0.44 0.00 -0.38 -5.04 105.19 105.68 3hyq n GLY 44 Ca 0.22 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3hyq n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hyq s GLN 45 N -0.33 4.08 -0.03 1.61 -0.21 -1.26 -4.67 119.66 118.85 3hyq s GLN 45 Ca 0.00 0.86 -0.15 0.00 0.02 0.00 0.00 55.36 56.09 3hyq s GLN 45 Cb 0.00 -2.31 -0.05 0.00 1.00 0.00 0.00 33.01 31.65 3hyq s GLN 45 CO 0.00 0.05 0.40 -1.17 -2.12 0.00 0.00 175.29 172.45 3hyq s LEU 46 N -3.15 4.43 -0.48 2.90 2.96 0.62 -0.93 118.68 125.02 3hyq s LEU 46 Ca 0.58 0.89 -0.24 0.00 -0.22 0.00 0.00 54.13 55.14 3hyq s LEU 46 Cb -0.10 -2.57 0.03 0.00 0.50 0.00 0.00 46.19 44.06 3hyq s LEU 46 CO 0.17 0.27 0.85 -0.22 -1.32 0.00 0.00 176.35 176.10 3hyq s LEU 47 N -0.75 4.19 -0.17 -0.68 2.96 0.02 -0.59 118.68 123.66 3hyq s LEU 47 Ca 0.23 -0.16 -0.12 0.00 -0.22 0.00 0.00 54.13 53.87 3hyq s LEU 47 Cb -0.16 -2.96 -0.05 0.00 0.50 0.00 0.00 46.19 43.52 3hyq s LEU 47 CO 0.12 -1.03 0.22 -0.69 -1.32 0.00 0.00 176.35 173.65 3hyq s VAL 48 N 3.54 5.36 0.21 1.68 1.01 0.14 -3.13 120.40 129.20 3hyq s VAL 48 Ca 0.31 0.38 0.09 0.00 0.00 0.00 0.00 61.98 62.76 3hyq s VAL 48 Cb -0.12 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3hyq s VAL 48 CO 0.22 0.43 -0.07 0.42 0.00 0.00 0.00 175.10 176.10 3hyq s THR 49 N 0.31 3.26 -0.24 3.92 -4.23 -0.67 -0.93 115.64 117.07 3hyq s THR 49 Ca 0.13 -1.77 -0.02 0.00 -1.18 0.00 0.00 61.69 58.86 3hyq s THR 49 Cb -0.12 -2.66 0.02 0.00 1.34 0.00 0.00 72.50 71.08 3hyq s THR 49 CO 0.01 -0.21 -0.07 -0.60 -0.54 0.00 0.00 174.62 173.21 3hyq s ARG 50 N -3.13 2.94 0.41 3.99 3.52 0.04 -0.12 118.95 126.60 3hyq s ARG 50 Ca 0.27 -0.90 -0.26 0.00 -0.13 0.00 0.00 55.73 54.71 3hyq s ARG 50 Cb -0.08 -2.94 -0.10 0.00 -1.56 0.00 0.00 34.95 30.27 3hyq s ARG 50 CO 0.17 -0.34 1.36 0.54 -0.81 0.00 0.00 175.30 176.21 3hyq n ARG 51 N 4.68 2.19 -1.32 5.12 1.74 -0.18 -3.48 116.66 125.42 3hyq n ARG 51 Ca -0.17 0.78 -0.35 0.00 -0.77 0.00 0.00 57.85 57.34 3hyq n ARG 51 Cb 0.48 -2.50 0.11 0.00 -1.02 0.00 0.00 32.46 29.53 3hyq n ARG 51 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3hyq n SER 52 N 0.24 1.21 0.21 0.55 2.88 -0.44 -0.70 113.62 117.58 3hyq n SER 52 Ca 0.05 0.67 0.15 0.00 -1.33 0.00 0.00 58.87 58.40 3hyq n SER 52 Cb 0.39 -1.50 0.66 0.00 -0.75 0.00 0.00 64.21 63.01 3hyq n SER 52 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3hyq h LEU 53 N -0.41 0.00 -0.91 2.46 3.38 -1.90 -2.57 115.31 115.36 3hyq h LEU 53 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3hyq h LEU 53 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3hyq h LEU 53 CO 0.48 0.00 -0.02 -1.54 0.09 0.00 0.00 178.44 177.45 3hyq n SER 54 N -2.61 1.44 -4.76 -0.43 3.41 -1.26 -4.84 113.62 104.58 3hyq n SER 54 Ca 0.00 -1.44 -0.41 0.00 -0.26 0.00 0.00 58.87 56.76 3hyq n SER 54 Cb 0.20 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 3hyq n SER 54 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hyq s LYS 55 N -2.04 4.27 0.25 4.33 -0.14 -0.98 -4.90 119.74 120.53 3hyq s LYS 55 Ca 0.37 2.31 -0.03 0.00 -1.36 0.00 0.00 55.97 57.26 3hyq s LYS 55 Cb 0.21 -3.08 0.31 0.00 -1.68 0.00 0.00 37.83 33.59 3hyq s LYS 55 CO 0.35 -0.37 1.77 0.87 -0.76 0.00 0.00 175.35 177.21 3hyq h LYS 56 N 4.33 0.87 -5.49 1.68 1.57 -1.91 -3.36 116.57 114.26 3hyq h LYS 56 Ca -0.47 -0.21 -0.65 0.00 -1.87 0.00 0.00 60.65 57.44 3hyq h LYS 56 Cb 1.22 -0.11 -0.22 0.00 0.08 0.00 0.00 32.23 33.20 3hyq h LYS 56 CO 0.73 0.82 -0.70 0.00 -0.57 0.00 0.00 179.45 179.74 3hyq s ALA 57 N -5.10 2.91 -1.41 3.86 0.00 -1.26 -4.66 121.76 116.09 3hyq s ALA 57 Ca -0.10 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 3hyq s ALA 57 Cb 0.15 -1.41 0.02 0.00 0.00 0.00 0.00 23.12 21.88 3hyq s ALA 57 CO 0.82 0.30 0.55 0.91 0.00 0.00 0.00 175.76 178.34 3hyq n TRP 58 N 3.25 -1.76 -1.86 0.00 7.02 -1.26 -4.91 117.44 117.91 3hyq n TRP 58 Ca -0.18 0.78 -0.39 0.00 -1.02 0.00 0.00 57.50 56.70 3hyq n TRP 58 Cb 0.53 -3.86 0.02 0.00 -2.42 0.00 0.00 31.31 25.58 3hyq n TRP 58 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 3hyq s PRO 59 N -6.45 3.44 -0.17 -0.99 0.04 -1.26 -3.38 135.00 126.24 3hyq s PRO 59 Ca 0.10 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.37 3hyq s PRO 59 Cb -0.05 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 32.06 3hyq s PRO 59 CO 0.87 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 177.37 3hyq n GLY 60 N 0.65 0.48 3.80 0.56 0.00 0.13 -4.91 105.19 105.89 3hyq n GLY 60 Ca 0.08 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 3hyq n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hyq s VAL 61 N -1.84 5.03 0.17 1.61 1.01 -1.22 -4.76 120.40 120.39 3hyq s VAL 61 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 3hyq s VAL 61 Cb 0.00 -3.17 -0.07 0.00 0.00 0.00 0.00 36.38 33.14 3hyq s VAL 61 CO 0.00 0.61 0.99 0.26 0.00 0.00 0.00 175.10 176.96 3hyq s TRP 62 N -0.92 3.81 0.34 5.22 0.52 -1.26 -1.01 118.94 125.63 3hyq s TRP 62 Ca 0.14 1.79 -0.15 0.00 0.02 0.00 0.00 56.10 57.90 3hyq s TRP 62 Cb -0.12 -3.09 0.03 0.00 -1.15 0.00 0.00 33.47 29.14 3hyq s TRP 62 CO 0.03 0.07 0.69 -0.08 0.02 0.00 0.00 176.95 177.68 3hyq s THR 63 N -0.41 0.00 1.03 2.01 -1.32 0.83 -0.83 115.64 116.96 3hyq s THR 63 Ca 0.46 -1.14 -0.13 0.00 -1.21 0.00 0.00 61.69 59.66 3hyq s THR 63 Cb -0.26 -2.56 0.21 0.00 -1.51 0.00 0.00 72.50 68.38 3hyq s THR 63 CO 0.32 0.00 1.10 0.54 -2.21 0.00 0.00 174.62 174.37 3hyq s ASN 64 N -3.06 2.33 0.15 8.08 4.22 -1.26 -1.67 114.94 123.73 3hyq s ASN 64 Ca 0.18 1.07 -0.18 0.00 -2.14 0.00 0.00 52.86 51.79 3hyq s ASN 64 Cb -0.04 -1.67 0.05 0.00 1.28 0.00 0.00 41.25 40.86 3hyq s ASN 64 CO 0.12 -3.30 1.69 0.28 -2.04 0.00 0.00 177.10 173.85 3hyq h SER 65 N -2.01 -0.24 -4.54 3.54 0.02 -1.47 -3.40 113.55 105.45 3hyq h SER 65 Ca -0.54 0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.38 3hyq h SER 65 Cb 1.33 0.17 -0.22 0.00 0.14 0.00 0.00 62.40 63.83 3hyq h SER 65 CO 0.55 -0.08 -0.27 -0.69 -1.14 0.00 0.00 176.83 175.20 3hyq s VAL 66 N -6.20 0.03 -0.17 2.27 1.01 -0.87 -4.72 120.40 111.75 3hyq s VAL 66 Ca -0.14 -0.27 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 3hyq s VAL 66 Cb 0.13 -0.58 0.06 0.00 0.00 0.00 0.00 36.38 35.98 3hyq s VAL 66 CO 0.70 -0.15 0.41 0.00 0.00 0.00 0.00 175.10 176.06 3hyq n GLY 68 N 4.23 2.72 2.91 0.00 0.00 -0.64 -4.98 105.19 109.43 3hyq n GLY 68 Ca -0.23 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 3hyq n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hyq s HIS 69 N -4.29 0.13 0.60 1.61 3.76 -1.26 -0.75 115.29 115.09 3hyq s HIS 69 Ca 0.00 -0.14 -0.16 0.00 -0.15 0.00 0.00 55.06 54.61 3hyq s HIS 69 Cb 0.00 -0.09 -0.03 0.00 1.11 0.00 0.00 32.58 33.57 3hyq s HIS 69 CO 0.00 -0.04 1.07 -1.25 -0.85 0.00 0.00 174.74 173.67 3hyq s PRO 70 N -0.38 3.23 0.02 8.40 0.04 -1.26 -4.99 135.00 140.05 3hyq s PRO 70 Ca -0.04 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.27 3hyq s PRO 70 Cb -0.03 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3hyq s PRO 70 CO -0.00 -0.89 0.02 0.00 0.04 0.00 0.00 177.00 176.17 3hyq n GLN 71 N -2.05 1.22 -1.69 4.56 10.64 -1.26 -4.97 117.38 123.82 3hyq n GLN 71 Ca 0.09 -0.10 -0.54 0.00 -1.83 0.00 0.00 57.00 54.62 3hyq n GLN 71 Cb 0.53 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.84 3hyq n GLN 71 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3hyq n GLN 72 N -0.80 1.49 -3.97 2.61 0.00 -1.26 -1.90 117.38 113.54 3hyq n GLN 72 Ca 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 57.00 57.24 3hyq n GLN 72 Cb 0.02 -2.27 0.01 0.00 0.00 0.00 0.00 30.24 28.00 3hyq n GLN 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hyq n GLY 73 N 4.09 -0.44 3.50 2.61 0.00 -1.26 -4.97 105.19 108.71 3hyq n GLY 73 Ca 0.24 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 3hyq n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hyq s GLU 74 N -6.62 2.68 0.78 1.61 2.12 -0.80 -5.12 118.70 113.34 3hyq s GLU 74 Ca 0.56 -0.65 -0.11 0.00 0.36 0.00 0.00 54.97 55.13 3hyq s GLU 74 Cb -0.29 -2.47 0.06 0.00 0.26 0.00 0.00 34.13 31.69 3hyq s GLU 74 CO 0.86 0.59 1.09 0.95 -0.54 0.00 0.00 175.26 178.20 3hyq s THR 75 N -0.63 3.30 0.16 -1.70 -4.23 -1.26 -4.71 115.64 106.57 3hyq s THR 75 Ca 0.09 0.42 -0.15 0.00 -1.18 0.00 0.00 61.69 60.87 3hyq s THR 75 Cb -0.11 -3.10 0.03 0.00 1.34 0.00 0.00 72.50 70.66 3hyq s THR 75 CO 0.01 -0.55 1.81 0.74 -0.54 0.00 0.00 174.62 176.10 3hyq h THR 76 N -1.06 1.08 -0.26 3.99 2.02 -1.99 -1.45 112.91 115.25 3hyq h THR 76 Ca -0.46 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 66.43 3hyq h THR 76 Cb 1.25 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 3hyq h THR 76 CO 0.57 0.10 -0.24 -0.33 0.37 0.00 0.00 175.52 175.99 3hyq h GLU 77 N 0.56 0.49 -0.58 6.66 5.08 -1.99 -1.09 114.58 123.70 3hyq h GLU 77 Ca 0.17 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3hyq h GLU 77 Cb -0.03 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 3hyq h GLU 77 CO -0.06 0.70 0.28 0.93 -1.00 0.00 0.00 179.01 179.86 3hyq h GLU 78 N 0.43 0.83 -0.75 2.33 5.08 -1.84 -1.34 114.58 119.32 3hyq h GLU 78 Ca 0.07 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3hyq h GLU 78 Cb 0.65 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3hyq h GLU 78 CO 0.05 0.68 0.29 0.00 -1.00 0.00 0.00 179.01 179.02 3hyq h ALA 79 N 1.11 0.98 0.01 3.43 0.00 -0.86 -0.46 119.26 123.47 3hyq h ALA 79 Ca 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hyq h ALA 79 Cb 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3hyq h ALA 79 CO -0.03 0.62 -0.00 0.82 0.00 0.00 0.00 179.25 180.66 3hyq h ILE 80 N 1.09 1.08 -0.71 0.00 2.04 -0.96 -0.31 117.51 119.75 3hyq h ILE 80 Ca 0.25 -0.28 0.08 0.00 1.00 0.00 0.00 64.86 65.91 3hyq h ILE 80 Cb 0.23 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 3hyq h ILE 80 CO -0.02 0.07 0.37 0.40 0.00 0.00 0.00 178.15 178.98 3hyq h ILE 81 N -0.13 0.90 -0.28 -0.67 2.04 -1.07 0.49 117.51 118.79 3hyq h ILE 81 Ca -0.00 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 3hyq h ILE 81 Cb 0.13 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3hyq h ILE 81 CO 0.00 0.12 0.11 -0.09 0.00 0.00 0.00 178.15 178.29 3hyq h ARG 82 N 0.65 0.42 -0.00 2.37 2.43 -0.84 -1.48 114.38 117.93 3hyq h ARG 82 Ca 0.33 -0.08 -0.17 0.00 -0.81 0.00 0.00 59.98 59.26 3hyq h ARG 82 Cb 0.30 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3hyq h ARG 82 CO -0.23 0.45 -0.79 0.00 -1.51 0.00 0.00 179.97 177.89 3hyq h ARG 83 N 0.29 0.04 -0.56 0.20 2.47 -0.86 -0.79 114.38 115.18 3hyq h ARG 83 Ca 0.09 -0.05 -0.07 0.00 -1.26 0.00 0.00 59.98 58.70 3hyq h ARG 83 Cb 0.19 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 3hyq h ARG 83 CO -0.01 0.81 0.09 0.00 0.56 0.00 0.00 179.97 181.42 3hyq h ARG 85 N 0.82 0.83 0.03 0.00 2.43 -1.07 -1.51 114.38 115.90 3hyq h ARG 85 Ca 0.17 -0.22 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 3hyq h ARG 85 Cb 0.42 -0.10 0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3hyq h ARG 85 CO 0.01 0.82 -0.71 0.35 -1.51 0.00 0.00 179.97 178.92 3hyq h PHE 86 N 0.71 0.67 0.15 2.20 3.57 -0.95 0.47 116.94 123.76 3hyq h PHE 86 Ca 0.16 -0.38 -0.29 0.00 3.53 0.00 0.00 57.97 60.98 3hyq h PHE 86 Cb 0.38 -0.07 0.02 0.00 2.79 0.00 0.00 35.95 39.07 3hyq h PHE 86 CO 0.03 1.22 -1.28 0.93 -2.23 0.00 0.00 178.31 176.97 3hyq h GLU 87 N -0.07 0.42 -0.00 1.11 5.08 -0.88 -3.39 114.58 116.85 3hyq h GLU 87 Ca -0.10 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 57.61 3hyq h GLU 87 Cb 1.43 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.92 3hyq h GLU 87 CO 0.14 1.30 -0.16 1.28 -1.00 0.00 0.00 179.01 180.56 3hyq n LEU 88 N -3.65 0.51 -1.16 1.33 4.77 -0.62 -1.16 117.00 117.02 3hyq n LEU 88 Ca -0.11 -0.62 -0.14 0.00 -0.03 0.00 0.00 56.01 55.10 3hyq n LEU 88 Cb 1.02 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 42.06 3hyq n LEU 88 CO 0.56 0.11 -0.14 0.61 -1.33 0.00 0.00 177.39 177.21 3hyq n GLY 89 N 0.91 1.19 3.44 -0.72 0.00 0.16 -1.25 105.19 108.91 3hyq n GLY 89 Ca 0.01 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 3hyq n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hyq s VAL 90 N -2.55 2.59 0.17 1.61 0.11 -1.12 -4.03 120.40 117.19 3hyq s VAL 90 Ca 0.00 -1.51 -0.06 0.00 -2.93 0.00 0.00 61.98 57.48 3hyq s VAL 90 Cb 0.00 -2.14 -0.06 0.00 -1.53 0.00 0.00 36.38 32.65 3hyq s VAL 90 CO 0.00 0.17 0.43 -1.61 -3.33 0.00 0.00 175.10 170.76 3hyq s GLU 91 N -1.90 3.66 0.16 1.54 0.41 -1.26 -3.37 118.70 117.94 3hyq s GLU 91 Ca 0.16 0.00 0.02 0.00 -0.41 0.00 0.00 54.97 54.74 3hyq s GLU 91 Cb -0.10 -2.78 -0.05 0.00 -1.78 0.00 0.00 34.13 29.42 3hyq s GLU 91 CO 0.07 0.41 -0.02 0.96 -0.49 0.00 0.00 175.26 176.20 3hyq s ILE 92 N -1.73 0.74 0.27 -1.63 -4.36 -1.26 -0.57 121.20 112.66 3hyq s ILE 92 Ca 0.43 -1.98 -0.07 0.00 -0.26 0.00 0.00 60.65 58.77 3hyq s ILE 92 Cb -0.12 -2.05 -0.01 0.00 1.25 0.00 0.00 42.46 41.54 3hyq s ILE 92 CO 0.24 -0.54 0.40 0.28 0.24 0.00 0.00 174.94 175.56 3hyq s THR 93 N -3.61 0.00 -1.37 8.37 -1.32 0.13 -4.87 115.64 112.97 3hyq s THR 93 Ca 0.22 -1.60 -0.09 0.00 -1.21 0.00 0.00 61.69 59.01 3hyq s THR 93 Cb 0.06 -2.42 0.02 0.00 -1.51 0.00 0.00 72.50 68.64 3hyq s THR 93 CO 0.03 0.00 1.15 -0.67 -2.21 0.00 0.00 174.62 172.92 3hyq n ASP 94 N -0.74 -5.93 -4.68 8.08 2.03 -1.26 -1.22 116.55 112.83 3hyq n ASP 94 Ca 0.00 -0.57 -0.43 0.00 0.52 0.00 0.00 54.79 54.31 3hyq n ASP 94 Cb 0.63 -4.90 -0.03 0.00 -0.72 0.00 0.00 41.12 36.09 3hyq n ASP 94 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3hyq n LEU 95 N -4.92 4.01 -3.82 -2.67 4.77 -1.26 -4.50 117.00 108.60 3hyq n LEU 95 Ca -0.01 0.96 -0.19 0.00 -0.03 0.00 0.00 56.01 56.75 3hyq n LEU 95 Cb 0.56 -1.52 -0.17 0.00 -2.33 0.00 0.00 43.42 39.97 3hyq n LEU 95 CO 0.66 0.15 -0.38 -0.89 -1.33 0.00 0.00 177.39 175.60 3hyq s THR 96 N 3.37 0.29 0.23 -5.08 2.01 0.20 -4.98 115.64 111.68 3hyq s THR 96 Ca 0.85 0.05 -0.31 0.00 0.31 0.00 0.00 61.69 62.60 3hyq s THR 96 Cb -0.49 -0.38 -0.10 0.00 0.01 0.00 0.00 72.50 71.53 3hyq s THR 96 CO 0.40 0.19 1.51 -2.84 -0.69 0.00 0.00 174.62 173.18 3hyq s PRO 97 N 1.19 4.23 0.00 4.92 0.02 -1.26 -0.41 135.00 143.69 3hyq s PRO 97 Ca -0.07 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.31 3hyq s PRO 97 Cb -0.13 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.27 3hyq s PRO 97 CO -0.02 -0.51 0.00 1.33 -0.33 0.00 0.00 177.00 177.47 3hyq n VAL 98 N 2.87 0.00 -2.81 3.83 0.24 0.31 -4.86 118.33 117.92 3hyq n VAL 98 Ca 0.09 -0.28 -0.08 0.00 -2.04 0.00 0.00 64.34 62.03 3hyq n VAL 98 Cb 0.39 0.79 0.02 0.00 -1.47 0.00 0.00 33.84 33.58 3hyq n VAL 98 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hyq n TYR 99 N -1.02 -3.25 0.24 6.34 4.19 -0.99 -4.15 117.16 118.52 3hyq n TYR 99 Ca 0.00 -1.79 0.10 0.00 3.31 0.00 0.00 57.90 59.53 3hyq n TYR 99 Cb 0.00 1.37 0.59 0.00 0.49 0.00 0.00 39.34 41.79 3hyq n TYR 99 CO 0.00 0.00 0.00 -1.35 0.91 0.00 0.00 176.86 176.42 3hyq h PRO 100 N 4.43 0.00 -0.25 2.98 0.11 -1.91 -2.33 132.00 135.02 3hyq h PRO 100 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3hyq h PRO 100 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3hyq h PRO 100 CO 0.22 0.19 0.00 0.72 -0.21 0.00 0.00 178.00 178.92 3hyq n HIS 101 N -3.63 0.32 -2.10 0.65 8.25 -1.26 -4.37 115.22 113.08 3hyq n HIS 101 Ca -0.01 -0.16 -0.41 0.00 -0.26 0.00 0.00 57.72 56.88 3hyq n HIS 101 Cb 0.32 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.41 3hyq n HIS 101 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3hyq s PHE 102 N -1.68 3.07 -0.00 4.41 5.36 -1.10 -4.92 117.98 123.12 3hyq s PHE 102 Ca 0.34 1.28 0.03 0.00 -0.96 0.00 0.00 56.93 57.62 3hyq s PHE 102 Cb 0.19 -3.71 -0.01 0.00 -0.34 0.00 0.00 43.02 39.15 3hyq s PHE 102 CO 0.28 -2.08 -0.10 -1.12 -1.46 0.00 0.00 175.22 170.73 3hyq s SER 103 N -0.13 1.20 -0.25 6.13 0.01 -1.26 -0.68 113.70 118.72 3hyq s SER 103 Ca 0.53 -0.21 -0.06 0.00 1.31 0.00 0.00 55.95 57.52 3hyq s SER 103 Cb -0.40 -0.13 -0.01 0.00 0.21 0.00 0.00 66.02 65.69 3hyq s SER 103 CO 0.48 0.11 0.03 -0.47 0.41 0.00 0.00 173.24 173.80 3hyq s TYR 104 N -0.30 3.06 -0.21 2.43 5.04 -0.47 -4.91 117.35 121.98 3hyq s TYR 104 Ca 0.03 -0.75 -0.03 0.00 -2.44 0.00 0.00 57.07 53.88 3hyq s TYR 104 Cb -0.04 -2.19 -0.01 0.00 0.35 0.00 0.00 41.96 40.07 3hyq s TYR 104 CO -0.00 -0.48 -0.06 0.50 -1.34 0.00 0.00 175.55 174.16 3hyq s ARG 105 N 1.54 3.34 -0.06 4.97 3.00 -1.26 -2.21 118.95 128.26 3hyq s ARG 105 Ca 0.05 -0.65 0.05 0.00 -1.00 0.00 0.00 55.73 54.19 3hyq s ARG 105 Cb -0.15 -2.95 -0.01 0.00 0.00 0.00 0.00 34.95 31.84 3hyq s ARG 105 CO 0.01 -0.18 -0.23 0.00 0.00 0.00 0.00 175.30 174.90 3hyq s ALA 106 N 1.41 2.00 -0.03 6.12 0.00 -0.13 -4.99 121.76 126.15 3hyq s ALA 106 Ca 0.05 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.15 3hyq s ALA 106 Cb -0.14 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 3hyq s ALA 106 CO -0.04 0.35 -0.25 0.95 0.00 0.00 0.00 175.76 176.77 3hyq s THR 107 N 0.01 2.15 0.80 0.00 -4.23 -1.26 -0.20 115.64 112.91 3hyq s THR 107 Ca -0.07 -1.07 -0.09 0.00 -1.18 0.00 0.00 61.69 59.28 3hyq s THR 107 Cb -0.14 -1.75 0.12 0.00 1.34 0.00 0.00 72.50 72.07 3hyq s THR 107 CO 0.04 0.58 1.12 1.51 -0.54 0.00 0.00 174.62 177.34 3hyq s ASP 108 N -0.59 4.13 0.55 3.99 1.47 -0.71 -4.91 116.67 120.61 3hyq s ASP 108 Ca 0.09 0.24 0.28 0.00 1.18 0.00 0.00 52.55 54.34 3hyq s ASP 108 Cb -0.10 -0.62 1.52 0.00 -0.34 0.00 0.00 42.92 43.38 3hyq s ASP 108 CO -0.01 -2.05 1.84 -0.65 0.68 0.00 0.00 175.17 174.98 3hyq h PRO 109 N -0.96 0.00 -0.34 2.11 0.11 -2.01 -0.45 132.00 130.45 3hyq h PRO 109 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hyq h PRO 109 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3hyq h PRO 109 CO 0.49 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.37 3hyq n ASN 110 N -2.67 3.32 0.00 -2.05 3.02 -1.26 -4.96 115.26 110.66 3hyq n ASN 110 Ca -0.02 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 3hyq n ASN 110 Cb 0.27 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 3hyq n ASN 110 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hyq n GLY 111 N 1.37 0.50 3.69 7.41 0.00 -0.18 -5.01 105.19 112.98 3hyq n GLY 111 Ca 0.18 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3hyq n GLY 111 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hyq s ILE 112 N -2.00 3.89 -0.09 -0.61 1.01 -1.26 -4.82 121.20 117.32 3hyq s ILE 112 Ca 0.00 1.28 -0.02 0.00 0.00 0.00 0.00 60.65 61.90 3hyq s ILE 112 Cb 0.00 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 3hyq s ILE 112 CO 0.00 0.02 0.02 -0.69 0.00 0.00 0.00 174.94 174.28 3hyq s VAL 113 N 2.11 4.43 -0.15 2.92 1.01 -1.26 -1.73 120.40 127.73 3hyq s VAL 113 Ca 0.61 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.41 3hyq s VAL 113 Cb -0.29 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.22 3hyq s VAL 113 CO 0.26 0.60 -0.21 -1.61 0.00 0.00 0.00 175.10 174.14 3hyq s GLU 114 N -0.87 3.03 -0.07 2.72 2.02 0.73 -5.00 118.70 121.26 3hyq s GLU 114 Ca 0.13 -0.84 0.05 0.00 0.02 0.00 0.00 54.97 54.33 3hyq s GLU 114 Cb -0.11 -2.47 -0.01 0.00 0.10 0.00 0.00 34.13 31.63 3hyq s GLU 114 CO 0.02 -0.04 -0.22 -0.80 0.02 0.00 0.00 175.26 174.25 3hyq s ASN 115 N 0.87 3.31 -0.07 -0.19 0.01 -1.26 -0.96 114.94 116.66 3hyq s ASN 115 Ca -0.05 -0.45 -0.13 0.00 -0.71 0.00 0.00 52.86 51.51 3hyq s ASN 115 Cb -0.15 -1.00 0.03 0.00 0.41 0.00 0.00 41.25 40.53 3hyq s ASN 115 CO -0.03 0.24 0.32 -1.83 -1.51 0.00 0.00 177.10 174.28 3hyq s GLU 116 N -0.11 0.53 0.40 -0.60 -1.05 -0.94 -4.82 118.70 112.11 3hyq s GLU 116 Ca -0.04 0.11 -0.25 0.00 -0.15 0.00 0.00 54.97 54.64 3hyq s GLU 116 Cb -0.14 0.24 -0.09 0.00 -0.44 0.00 0.00 34.13 33.71 3hyq s GLU 116 CO 0.04 -0.12 1.09 0.14 0.95 0.00 0.00 175.26 177.37 3hyq s VAL 117 N -0.62 3.51 -0.42 1.83 -7.23 -1.03 -1.37 120.40 115.07 3hyq s VAL 117 Ca -0.07 1.21 0.07 0.00 -1.81 0.00 0.00 61.98 61.37 3hyq s VAL 117 Cb -0.04 -3.65 0.24 0.00 0.56 0.00 0.00 36.38 33.49 3hyq s VAL 117 CO 0.02 0.05 0.62 0.00 -0.31 0.00 0.00 175.10 175.48 3hyq n PRO 119 N 1.63 1.97 -4.47 0.00 -0.04 -1.25 -4.44 135.00 128.40 3hyq n PRO 119 Ca 0.18 0.70 -0.34 0.00 -0.04 0.00 0.00 63.50 63.99 3hyq n PRO 119 Cb 0.56 -2.33 -0.10 0.00 -0.04 0.00 0.00 33.50 31.58 3hyq n PRO 119 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hyq s VAL 120 N -1.16 4.03 0.11 0.52 1.01 -0.90 -1.84 120.40 122.18 3hyq s VAL 120 Ca 0.59 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 62.28 3hyq s VAL 120 Cb -0.54 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3hyq s VAL 120 CO 0.60 0.59 -0.15 -0.36 0.00 0.00 0.00 175.10 175.77 3hyq s PHE 121 N -0.68 1.45 0.14 5.22 0.40 0.44 -0.53 117.98 124.42 3hyq s PHE 121 Ca 0.11 -0.51 0.06 0.00 -0.60 0.00 0.00 56.93 55.99 3hyq s PHE 121 Cb -0.12 -0.77 -0.04 0.00 0.51 0.00 0.00 43.02 42.60 3hyq s PHE 121 CO 0.02 0.15 0.04 0.00 0.70 0.00 0.00 175.22 176.13 3hyq s ALA 122 N -1.81 3.34 0.14 5.36 0.00 0.46 -0.79 121.76 128.46 3hyq s ALA 122 Ca 0.07 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 50.66 3hyq s ALA 122 Cb -0.07 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 21.90 3hyq s ALA 122 CO 0.03 0.56 0.34 0.00 0.00 0.00 0.00 175.76 176.69 3hyq s ALA 123 N -1.60 -0.46 -0.11 0.00 0.00 -0.57 -0.63 121.76 118.39 3hyq s ALA 123 Ca 0.28 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.76 3hyq s ALA 123 Cb -0.10 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 3hyq s ALA 123 CO 0.20 -0.65 -0.12 1.03 0.00 0.00 0.00 175.76 176.22 3hyq s ARG 124 N -3.88 3.16 0.26 0.00 0.52 -0.36 -0.75 118.95 117.90 3hyq s ARG 124 Ca 0.09 -0.66 -0.30 0.00 -0.52 0.00 0.00 55.73 54.35 3hyq s ARG 124 Cb 0.02 -2.60 -0.09 0.00 0.52 0.00 0.00 34.95 32.80 3hyq s ARG 124 CO -0.06 0.35 1.18 0.00 0.02 0.00 0.00 175.30 176.79 3hyq s ALA 125 N 0.00 3.44 0.00 2.13 0.00 -0.04 -0.69 121.76 126.61 3hyq s ALA 125 Ca -0.03 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3hyq s ALA 125 Cb -0.14 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3hyq s ALA 125 CO 0.04 -0.34 0.50 0.25 0.00 0.00 0.00 175.76 176.21 3hyq n THR 126 N 1.60 0.04 -4.20 0.00 -2.24 0.26 -4.68 114.28 105.06 3hyq n THR 126 Ca 0.01 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 61.15 3hyq n THR 126 Cb 0.44 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.61 3hyq n THR 126 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hyq s SER 127 N -0.04 0.78 0.14 3.42 1.04 -1.25 -4.92 113.70 112.88 3hyq s SER 127 Ca 0.00 -1.50 -0.30 0.00 0.48 0.00 0.00 55.95 54.63 3hyq s SER 127 Cb 0.00 0.50 -0.07 0.00 0.10 0.00 0.00 66.02 66.55 3hyq s SER 127 CO 0.00 -1.00 1.05 -0.69 0.98 0.00 0.00 173.24 173.58 3hyq s VAL 128 N -3.75 4.14 0.47 5.02 1.01 -1.26 -4.72 120.40 121.31 3hyq s VAL 128 Ca 0.37 1.79 -0.25 0.00 0.00 0.00 0.00 61.98 63.89 3hyq s VAL 128 Cb 0.04 -4.14 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 3hyq s VAL 128 CO 0.19 0.28 1.42 0.18 0.00 0.00 0.00 175.10 177.17 3hyq n LEU 129 N 2.69 5.24 -3.44 3.92 4.77 -1.26 -4.69 117.00 124.23 3hyq n LEU 129 Ca 0.03 1.09 -0.27 0.00 -0.03 0.00 0.00 56.01 56.83 3hyq n LEU 129 Cb 0.47 -1.60 -0.10 0.00 -2.33 0.00 0.00 43.42 39.86 3hyq n LEU 129 CO 0.53 -0.23 -0.29 -1.10 -1.33 0.00 0.00 177.39 174.97 3hyq s GLN 130 N -2.55 1.03 0.25 3.23 -1.52 -0.38 -5.01 119.66 114.71 3hyq s GLN 130 Ca 0.63 -2.21 -0.30 0.00 -1.95 0.00 0.00 55.36 51.54 3hyq s GLN 130 Cb -0.44 -1.59 -0.09 0.00 -0.22 0.00 0.00 33.01 30.67 3hyq s GLN 130 CO 0.56 -1.38 1.23 0.08 -0.25 0.00 0.00 175.29 175.53 3hyq s VAL 131 N -0.06 3.24 -0.43 1.09 1.01 -1.23 -2.75 120.40 121.27 3hyq s VAL 131 Ca 0.32 1.13 -0.25 0.00 0.00 0.00 0.00 61.98 63.18 3hyq s VAL 131 Cb 0.03 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.71 3hyq s VAL 131 CO -0.19 0.22 0.89 0.21 0.00 0.00 0.00 175.10 176.22 3hyq s ASN 132 N -0.20 6.53 0.47 3.32 3.84 -0.30 -4.93 114.94 123.67 3hyq s ASN 132 Ca 0.51 0.23 0.32 0.00 0.21 0.00 0.00 52.86 54.12 3hyq s ASN 132 Cb -0.35 -2.44 1.53 0.00 -0.55 0.00 0.00 41.25 39.44 3hyq s ASN 132 CO 0.42 -0.95 1.96 0.77 -2.79 0.00 0.00 177.10 176.52 3hyq h SER 133 N 8.85 0.00 1.13 -4.21 4.64 -1.88 0.12 113.55 122.21 3hyq h SER 133 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3hyq h SER 133 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3hyq h SER 133 CO 0.99 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 176.62 3hyq h GLU 134 N 0.00 0.00 0.00 4.77 5.08 -1.96 -3.33 114.58 119.14 3hyq h GLU 134 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 3hyq h GLU 134 Cb 0.24 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 3hyq h GLU 134 CO 0.00 0.00 -1.97 0.39 -1.00 0.00 0.00 179.01 176.43 3hyq n GLU 135 N -2.59 0.41 -4.41 2.33 -0.58 -0.12 -4.63 120.64 111.05 3hyq n GLU 135 Ca 0.03 0.11 -0.22 0.00 -0.42 0.00 0.00 57.16 56.66 3hyq n GLU 135 Cb 0.33 -1.29 -0.09 0.00 -0.57 0.00 0.00 31.44 29.83 3hyq n GLU 135 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3hyq s VAL 136 N -2.33 0.47 0.97 2.62 1.01 -0.35 -1.32 120.40 121.46 3hyq s VAL 136 Ca -0.23 -2.00 -0.12 0.00 0.00 0.00 0.00 61.98 59.63 3hyq s VAL 136 Cb 0.07 -2.47 0.10 0.00 0.00 0.00 0.00 36.38 34.08 3hyq s VAL 136 CO 0.37 0.00 0.67 -0.67 0.00 0.00 0.00 175.10 175.47 3hyq n ASP 138 N -1.12 -1.25 -3.52 3.32 -0.08 -1.23 -4.05 116.55 108.61 3hyq n ASP 138 Ca -0.01 0.28 -0.09 0.00 -1.51 0.00 0.00 54.79 53.46 3hyq n ASP 138 Cb 0.65 -1.28 -0.02 0.00 2.34 0.00 0.00 41.12 42.81 3hyq n ASP 138 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 3hyq s TYR 139 N -2.47 0.26 -0.24 -0.67 -0.85 -1.26 -0.78 117.35 111.35 3hyq s TYR 139 Ca 0.61 -0.72 -0.17 0.00 -0.52 0.00 0.00 57.07 56.27 3hyq s TYR 139 Cb -0.21 0.47 0.07 0.00 0.38 0.00 0.00 41.96 42.66 3hyq s TYR 139 CO 0.64 -1.25 0.60 -0.65 -1.52 0.00 0.00 175.55 173.37 3hyq s GLN 140 N -3.33 0.65 -0.25 -3.49 -1.52 -0.10 -5.00 119.66 106.61 3hyq s GLN 140 Ca 0.19 0.98 -0.26 0.00 -1.95 0.00 0.00 55.36 54.32 3hyq s GLN 140 Cb -0.03 0.19 0.00 0.00 -0.22 0.00 0.00 33.01 32.95 3hyq s GLN 140 CO 0.11 -0.12 0.89 -1.58 -0.25 0.00 0.00 175.29 174.33 3hyq s TRP 141 N 1.04 3.30 0.25 0.91 0.52 -1.26 -0.68 118.94 123.02 3hyq s TRP 141 Ca -0.06 1.19 0.05 0.00 0.02 0.00 0.00 56.10 57.30 3hyq s TRP 141 Cb -0.05 -3.15 -0.05 0.00 -1.15 0.00 0.00 33.47 29.06 3hyq s TRP 141 CO -0.10 -0.45 -0.03 -1.12 0.02 0.00 0.00 176.95 175.26 3hyq s SER 142 N 1.35 2.32 0.05 2.95 0.01 0.25 -4.90 113.70 115.74 3hyq s SER 142 Ca 0.37 -1.20 -0.30 0.00 1.31 0.00 0.00 55.95 56.13 3hyq s SER 142 Cb -0.15 -0.09 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 3hyq s SER 142 CO 0.08 -0.42 1.02 -1.61 0.41 0.00 0.00 173.24 172.72 3hyq s GLU 143 N -3.79 4.58 0.25 12.44 0.41 -1.26 -0.28 118.70 131.05 3hyq s GLU 143 Ca 0.29 1.51 -0.05 0.00 -0.41 0.00 0.00 54.97 56.30 3hyq s GLU 143 Cb 0.05 -3.40 0.32 0.00 -1.78 0.00 0.00 34.13 29.31 3hyq s GLU 143 CO 0.10 0.00 1.88 0.35 -0.49 0.00 0.00 175.26 177.11 3hyq h PHE 144 N 6.32 1.12 -0.22 1.61 3.57 -1.93 -1.49 116.94 125.92 3hyq h PHE 144 Ca -0.42 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.10 3hyq h PHE 144 Cb 1.22 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 3hyq h PHE 144 CO 0.66 0.62 0.08 1.57 -2.23 0.00 0.00 178.31 179.02 3hyq h LYS 145 N 1.14 0.31 -0.19 1.11 -0.00 -1.98 -0.33 116.57 116.64 3hyq h LYS 145 Ca 0.38 -0.03 -0.08 0.00 -0.00 0.00 0.00 60.65 60.92 3hyq h LYS 145 Cb 0.05 -0.06 -0.00 0.00 -0.00 0.00 0.00 32.23 32.22 3hyq h LYS 145 CO -0.14 0.27 -0.19 0.77 -0.00 0.00 0.00 179.45 180.16 3hyq h SER 146 N 0.31 0.49 -0.79 7.07 0.02 -1.71 -2.24 113.55 116.69 3hyq h SER 146 Ca 0.08 -0.48 0.01 0.00 -0.84 0.00 0.00 61.79 60.56 3hyq h SER 146 Cb 0.08 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 3hyq h SER 146 CO -0.01 0.87 0.52 0.58 -1.14 0.00 0.00 176.83 177.65 3hyq h VAL 147 N 0.12 1.21 -0.38 2.27 2.07 -0.83 -2.08 116.25 118.63 3hyq h VAL 147 Ca 0.03 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 3hyq h VAL 147 Cb 0.73 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3hyq h VAL 147 CO 0.05 0.20 -0.00 -0.25 0.02 0.00 0.00 177.57 177.59 3hyq h TRP 148 N 1.08 0.62 -0.68 1.57 -0.00 -1.00 -0.44 115.95 117.10 3hyq h TRP 148 Ca 0.29 -0.07 0.07 0.00 -0.00 0.00 0.00 58.89 59.18 3hyq h TRP 148 Cb -0.12 -0.18 -0.06 0.00 -0.00 0.00 0.00 29.16 28.81 3hyq h TRP 148 CO -0.02 0.60 0.37 0.87 -0.00 0.00 0.00 178.44 180.27 3hyq h LYS 149 N 0.57 0.65 0.01 2.65 1.57 -0.76 -0.94 116.57 120.31 3hyq h LYS 149 Ca 0.12 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.66 3hyq h LYS 149 Cb 0.37 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3hyq h LYS 149 CO 0.01 0.43 -0.90 0.77 -0.57 0.00 0.00 179.45 179.19 3hyq h SER 150 N 0.67 0.28 -0.24 0.86 0.02 -0.90 -1.55 113.55 112.69 3hyq h SER 150 Ca 0.31 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 3hyq h SER 150 Cb 0.22 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3hyq h SER 150 CO -0.20 1.04 0.05 -0.07 -1.14 0.00 0.00 176.83 176.52 3hyq h LEU 151 N 0.11 0.45 -0.03 5.07 3.38 -0.62 0.12 115.31 123.79 3hyq h LEU 151 Ca -0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3hyq h LEU 151 Cb 1.54 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.17 3hyq h LEU 151 CO 0.14 0.48 -0.04 -0.07 0.09 0.00 0.00 178.44 179.03 3hyq h LEU 152 N 0.48 0.09 -0.06 1.67 3.38 -1.07 -3.03 115.31 116.77 3hyq h LEU 152 Ca 0.11 -0.53 -0.13 0.00 0.09 0.00 0.00 57.88 57.42 3hyq h LEU 152 Cb 0.23 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hyq h LEU 152 CO 0.00 0.60 -0.48 0.00 0.09 0.00 0.00 178.44 178.65 3hyq h ALA 153 N 0.49 0.13 -2.11 1.53 0.00 -1.13 -3.40 119.26 114.78 3hyq h ALA 153 Ca 0.00 -0.51 -0.57 0.00 0.00 0.00 0.00 54.91 53.83 3hyq h ALA 153 Cb 0.58 0.01 -0.39 0.00 0.00 0.00 0.00 17.79 17.99 3hyq h ALA 153 CO 0.01 0.31 -1.03 0.25 0.00 0.00 0.00 179.25 178.79 3hyq n THR 154 N -4.29 -0.50 0.21 0.00 -2.24 0.39 -4.96 114.28 102.89 3hyq n THR 154 Ca -0.09 -4.02 0.06 0.00 -2.27 0.00 0.00 64.05 57.74 3hyq n THR 154 Cb 0.60 -1.92 0.55 0.00 -2.10 0.00 0.00 70.33 67.46 3hyq n THR 154 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3hyq h PRO 155 N 4.35 0.08 0.00 -0.78 0.13 -1.61 -0.86 132.00 133.31 3hyq h PRO 155 Ca 0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3hyq h PRO 155 Cb 0.86 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3hyq h PRO 155 CO 0.48 0.12 0.00 -2.67 -0.23 0.00 0.00 178.00 175.70 3hyq n TRP 156 N -4.45 0.03 1.64 1.56 4.27 -1.26 -1.78 117.44 117.46 3hyq n TRP 156 Ca -0.02 0.01 0.12 0.00 -3.89 0.00 0.00 57.50 53.73 3hyq n TRP 156 Cb 0.15 -0.52 0.57 0.00 -1.36 0.00 0.00 31.31 30.15 3hyq n TRP 156 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3hyq n ALA 157 N -1.51 2.59 -2.33 -1.67 0.00 -0.33 -4.88 120.51 112.38 3hyq n ALA 157 Ca 0.02 -0.34 -0.17 0.00 0.00 0.00 0.00 53.44 52.95 3hyq n ALA 157 Cb 0.09 -1.25 -0.10 0.00 0.00 0.00 0.00 19.45 18.19 3hyq n ALA 157 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hyq s PHE 158 N -1.94 1.57 0.58 0.00 0.40 -0.73 -4.42 117.98 113.44 3hyq s PHE 158 Ca 0.36 -1.17 -0.20 0.00 -0.60 0.00 0.00 56.93 55.33 3hyq s PHE 158 Cb 0.18 -0.93 -0.04 0.00 0.51 0.00 0.00 43.02 42.74 3hyq s PHE 158 CO 0.29 -0.31 1.25 -1.54 0.70 0.00 0.00 175.22 175.61 3hyq s SER 159 N -3.33 5.19 0.37 1.36 1.04 -0.01 -4.90 113.70 113.43 3hyq s SER 159 Ca 0.38 2.50 0.13 0.00 0.48 0.00 0.00 55.95 59.44 3hyq s SER 159 Cb 0.08 -2.61 0.72 0.00 0.10 0.00 0.00 66.02 64.30 3hyq s SER 159 CO 0.14 -1.60 1.82 1.55 0.98 0.00 0.00 173.24 176.13 3hyq h PRO 160 N 1.06 0.00 -1.87 4.02 0.13 -1.92 -2.56 132.00 130.85 3hyq h PRO 160 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3hyq h PRO 160 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3hyq h PRO 160 CO 0.56 0.38 0.00 -2.67 -0.23 0.00 0.00 178.00 176.03 3hyq n TRP 161 N -4.09 0.00 -0.17 1.56 2.14 -1.26 -4.66 117.44 110.96 3hyq n TRP 161 Ca -0.02 -0.67 0.00 0.00 2.07 0.00 0.00 57.50 58.88 3hyq n TRP 161 Cb 0.41 -0.40 0.00 0.00 -0.81 0.00 0.00 31.31 30.51 3hyq n TRP 161 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 3hyq n VAL 163 N 1.46 0.00 0.00 -1.67 0.31 -0.97 -4.54 118.33 112.92 3hyq n VAL 163 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3hyq n VAL 163 Cb 0.37 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 3hyq n VAL 163 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hyq n GLN 165 N -0.14 0.00 0.21 5.55 6.02 -1.26 -1.41 117.38 126.34 3hyq n GLN 165 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.13 3hyq n GLN 165 Cb 0.00 0.00 0.53 0.00 1.02 0.00 0.00 30.24 31.80 3hyq n GLN 165 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hyq h ALA 166 N 0.00 1.00 0.00 -1.58 0.00 -1.97 -3.06 119.26 113.66 3hyq h ALA 166 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hyq h ALA 166 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hyq h ALA 166 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 179.25 180.02 3hyq h SER 167 N 0.00 0.00 -2.94 0.00 0.02 -1.63 -3.40 113.55 105.61 3hyq h SER 167 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 3hyq h SER 167 Cb 0.55 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 3hyq h SER 167 CO 0.00 0.00 0.84 -0.62 -1.14 0.00 0.00 176.83 175.91 3hyq s ASP 168 N -5.27 6.93 0.21 3.07 2.15 -1.16 -4.93 116.67 117.68 3hyq s ASP 168 Ca 0.08 1.88 -0.10 0.00 0.43 0.00 0.00 52.55 54.85 3hyq s ASP 168 Cb 0.09 -2.55 0.18 0.00 -0.30 0.00 0.00 42.92 40.34 3hyq s ASP 168 CO 0.61 -0.71 1.86 -0.33 -0.17 0.00 0.00 175.17 176.43 3hyq h GLU 169 N 8.01 0.91 -0.29 4.34 4.39 -1.90 -0.27 114.58 129.76 3hyq h GLU 169 Ca -0.33 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.26 3hyq h GLU 169 Cb 1.15 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 3hyq h GLU 169 CO 0.92 0.60 -0.03 1.96 -1.16 0.00 0.00 179.01 181.31 3hyq h GLN 170 N 0.94 0.54 -0.76 2.33 1.08 -1.95 -1.02 115.11 116.27 3hyq h GLN 170 Ca 0.28 -0.18 -0.05 0.00 -1.45 0.00 0.00 58.65 57.25 3hyq h GLN 170 Cb -0.04 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 3hyq h GLN 170 CO -0.09 0.70 0.28 0.00 -0.95 0.00 0.00 178.83 178.78 3hyq h ALA 171 N 0.81 1.07 -0.64 3.87 0.00 -1.65 -1.65 119.26 121.08 3hyq h ALA 171 Ca 0.08 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3hyq h ALA 171 Cb 0.48 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3hyq h ALA 171 CO 0.02 0.65 0.07 -0.09 0.00 0.00 0.00 179.25 179.90 3hyq h ARG 172 N 1.11 1.09 -0.90 0.00 2.43 -0.86 0.25 114.38 117.48 3hyq h ARG 172 Ca 0.25 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3hyq h ARG 172 Cb 0.23 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 3hyq h ARG 172 CO -0.02 1.02 0.57 0.93 -1.51 0.00 0.00 179.97 180.96 3hyq h GLU 173 N 1.00 1.21 -0.26 0.20 5.08 -0.83 0.14 114.58 121.12 3hyq h GLU 173 Ca 0.19 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 3hyq h GLU 173 Cb 0.48 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3hyq h GLU 173 CO 0.02 0.83 -0.33 0.00 -1.00 0.00 0.00 179.01 178.53 3hyq h ARG 174 N 1.23 0.56 -0.42 2.33 3.08 -0.78 -1.43 114.38 118.96 3hyq h ARG 174 Ca 0.33 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 3hyq h ARG 174 Cb -0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3hyq h ARG 174 CO -0.07 0.81 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.52 3hyq h LEU 175 N 0.48 0.78 -1.98 3.04 3.38 -0.53 -1.48 115.31 118.99 3hyq h LEU 175 Ca 0.06 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3hyq h LEU 175 Cb 0.80 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3hyq h LEU 175 CO 0.07 0.94 -0.07 -0.07 0.09 0.00 0.00 178.44 179.39 3hyq h LEU 176 N 0.60 0.00 -2.46 1.67 3.38 -0.48 -2.89 115.31 115.13 3hyq h LEU 176 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3hyq h LEU 176 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3hyq h LEU 176 CO 0.03 0.07 0.00 0.59 0.09 0.00 0.00 178.44 179.22 3hyq n ASN 177 N -3.36 2.33 -0.02 -0.43 3.02 -0.56 -4.80 115.26 111.44 3hyq n ASN 177 Ca -0.01 -1.80 -0.12 0.00 -0.03 0.00 0.00 54.58 52.62 3hyq n ASN 177 Cb 0.23 -0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.23 3hyq n ASN 177 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3hyq h TYR 178 N 1.38 0.15 -0.05 3.10 3.20 -1.04 -2.56 116.97 121.15 3hyq h TYR 178 Ca 0.00 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 3hyq h TYR 178 Cb 0.56 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 3hyq h TYR 178 CO 0.11 0.29 -0.43 0.00 -1.64 0.00 0.00 178.16 176.48 3hyq n GLN 180 N -4.01 0.71 -0.55 0.00 6.02 -1.16 -5.10 117.38 113.29 3hyq n GLN 180 Ca -0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 3hyq n GLN 180 Cb 0.48 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.24 3hyq n GLN 180 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59