#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c1e n GLY 30 N 0.00 -1.74 3.69 5.00 0.00 -1.26 -4.96 105.19 105.92 2c1e n GLY 30 Ca 0.00 -1.62 -0.44 0.00 0.00 0.00 0.00 46.02 43.96 2c1e n GLY 30 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2c1e n ILE 31 N -3.17 0.52 -4.78 -0.61 5.41 -1.26 -5.00 119.36 110.47 2c1e n ILE 31 Ca 0.08 -0.13 -0.33 0.00 1.00 0.00 0.00 62.75 63.37 2c1e n ILE 31 Cb 0.29 -1.68 -0.16 0.00 -0.71 0.00 0.00 39.64 37.38 2c1e n ILE 31 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2c1e s SER 32 N 0.66 3.34 -0.15 4.38 0.15 -1.26 -5.03 113.70 115.79 2c1e s SER 32 Ca 0.72 -0.53 0.16 0.00 0.70 0.00 0.00 55.95 56.99 2c1e s SER 32 Cb -0.60 -1.48 -0.22 0.00 -1.71 0.00 0.00 66.02 62.00 2c1e s SER 32 CO 0.43 0.11 0.10 0.18 1.20 0.00 0.00 173.24 175.26 2c1e n LEU 33 N 3.88 0.00 -3.79 3.45 4.77 -1.26 -5.03 117.00 119.02 2c1e n LEU 33 Ca -0.19 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.55 2c1e n LEU 33 Cb 0.52 0.37 0.02 0.00 -2.33 0.00 0.00 43.42 42.01 2c1e n LEU 33 CO 0.28 0.37 -0.04 0.47 -1.33 0.00 0.00 177.39 177.14 2c1e n ASP 34 N -2.58 -2.02 -0.03 -1.43 8.00 -1.26 -4.89 116.55 112.35 2c1e n ASP 34 Ca -0.25 -0.83 0.12 0.00 0.71 0.00 0.00 54.79 54.53 2c1e n ASP 34 Cb 0.99 -3.89 0.16 0.00 -0.02 0.00 0.00 41.12 38.36 2c1e n ASP 34 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2c1e n ASN 35 N -2.99 0.69 -4.14 -2.24 3.02 -1.26 -4.91 115.26 103.44 2c1e n ASN 35 Ca -0.21 -0.50 -0.19 0.00 -0.03 0.00 0.00 54.58 53.64 2c1e n ASN 35 Cb 0.64 0.43 -0.13 0.00 -0.61 0.00 0.00 39.78 40.11 2c1e n ASN 35 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2c1e s SER 36 N -2.96 1.58 0.47 6.41 1.04 -1.26 -5.13 113.70 113.85 2c1e s SER 36 Ca 0.11 -0.47 -0.25 0.00 0.48 0.00 0.00 55.95 55.83 2c1e s SER 36 Cb 0.17 -0.09 -0.08 0.00 0.10 0.00 0.00 66.02 66.12 2c1e s SER 36 CO 0.73 0.01 1.39 -1.22 0.98 0.00 0.00 173.24 175.13 2c1e n TYR 37 N 1.83 2.53 -2.22 5.02 4.01 -1.26 -4.90 117.16 122.18 2c1e n TYR 37 Ca -0.18 0.45 -0.43 0.00 -0.16 0.00 0.00 57.90 57.57 2c1e n TYR 37 Cb 0.55 -2.43 -0.02 0.00 -0.31 0.00 0.00 39.34 37.13 2c1e n TYR 37 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2c1e s LYS 38 N -2.50 3.48 -0.19 -0.72 2.20 -1.26 -4.84 119.74 115.92 2c1e s LYS 38 Ca 0.63 1.12 0.16 0.00 -0.36 0.00 0.00 55.97 57.52 2c1e s LYS 38 Cb -0.45 -4.09 0.47 0.00 -1.51 0.00 0.00 37.83 32.25 2c1e s LYS 38 CO 0.56 -1.68 1.36 -1.33 -0.36 0.00 0.00 175.35 173.91 2c1e n MET 39 N 8.21 2.33 -0.82 4.03 2.81 -1.26 -4.61 117.12 127.81 2c1e n MET 39 Ca 0.19 -2.86 -0.05 0.00 -1.81 0.00 0.00 57.70 53.18 2c1e n MET 39 Cb 0.47 -1.76 0.22 0.00 -0.71 0.00 0.00 33.22 31.44 2c1e n MET 39 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2c1e n ASP 40 N -0.85 3.13 -4.68 7.83 3.85 -1.26 -4.91 116.55 119.66 2c1e n ASP 40 Ca 0.22 -3.56 -0.29 0.00 -0.71 0.00 0.00 54.79 50.45 2c1e n ASP 40 Cb 0.86 -0.66 0.16 0.00 -1.35 0.00 0.00 41.12 40.13 2c1e n ASP 40 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 2c1e s TYR 41 N -3.15 2.10 0.34 2.11 1.51 -1.26 -4.89 117.35 114.11 2c1e s TYR 41 Ca 0.47 1.20 0.11 0.00 -1.01 0.00 0.00 57.07 57.84 2c1e s TYR 41 Cb 0.41 -3.19 0.88 0.00 -0.11 0.00 0.00 41.96 39.94 2c1e s TYR 41 CO 0.04 -2.73 1.79 -1.35 -1.11 0.00 0.00 175.55 172.19 2c1e h PRO 42 N -1.79 0.61 -6.41 -1.71 0.11 -1.93 -3.41 132.00 117.47 2c1e h PRO 42 Ca -0.52 -0.04 -0.64 0.00 0.11 0.00 0.00 66.00 64.91 2c1e h PRO 42 Cb 1.30 -0.14 -0.26 0.00 0.11 0.00 0.00 31.00 32.01 2c1e h PRO 42 CO 0.54 0.40 -0.86 -1.21 -0.21 0.00 0.00 178.00 176.66 2c1e s GLU 43 N -5.70 1.61 0.23 1.05 2.02 -0.43 -5.02 118.70 112.45 2c1e s GLU 43 Ca -0.10 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 53.87 2c1e s GLU 43 Cb 0.25 -1.75 0.23 0.00 0.10 0.00 0.00 34.13 32.96 2c1e s GLU 43 CO 0.80 0.45 1.58 0.52 0.02 0.00 0.00 175.26 178.63 2c1e h MET 44 N 4.86 0.47 0.00 1.61 2.86 -1.80 0.89 114.93 123.82 2c1e h MET 44 Ca -0.44 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 56.94 2c1e h MET 44 Cb 1.15 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2c1e h MET 44 CO 0.44 0.84 0.00 0.41 1.06 0.00 0.00 176.91 179.66 2c1e n GLY 45 N 0.07 0.80 3.86 8.32 0.00 -1.26 -0.89 105.19 116.10 2c1e n GLY 45 Ca -0.02 -2.20 -0.31 0.00 0.00 0.00 0.00 46.02 43.49 2c1e n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c1e s LEU 46 N 0.00 3.98 -0.33 0.99 1.43 -1.25 -1.04 118.68 122.45 2c1e s LEU 46 Ca 0.00 1.16 -0.01 0.00 -1.03 0.00 0.00 54.13 54.25 2c1e s LEU 46 Cb 0.00 -3.99 0.11 0.00 0.03 0.00 0.00 46.19 42.33 2c1e s LEU 46 CO 0.00 -0.27 0.12 0.00 0.23 0.00 0.00 176.35 176.43 2c1e s ILE 48 N 1.46 5.06 -0.23 0.00 -1.09 0.58 -1.33 121.20 125.65 2c1e s ILE 48 Ca 0.11 0.87 -0.05 0.00 -2.23 0.00 0.00 60.65 59.36 2c1e s ILE 48 Cb -0.18 -3.84 -0.01 0.00 -1.58 0.00 0.00 42.46 36.84 2c1e s ILE 48 CO -0.21 0.07 -0.02 -0.63 -1.23 0.00 0.00 174.94 172.92 2c1e s ILE 49 N 2.33 3.58 -0.36 2.92 1.01 -0.08 0.07 121.20 130.66 2c1e s ILE 49 Ca 0.21 -0.43 -0.09 0.00 0.00 0.00 0.00 60.65 60.34 2c1e s ILE 49 Cb -0.16 -2.65 0.03 0.00 0.01 0.00 0.00 42.46 39.70 2c1e s ILE 49 CO 0.09 0.40 0.17 -0.63 0.00 0.00 0.00 174.94 174.97 2c1e s ILE 50 N 1.51 4.31 -0.49 2.92 1.01 -0.18 -1.05 121.20 129.23 2c1e s ILE 50 Ca 0.06 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.72 2c1e s ILE 50 Cb -0.14 -3.41 0.13 0.00 0.01 0.00 0.00 42.46 39.05 2c1e s ILE 50 CO -0.02 -0.20 0.33 0.21 0.00 0.00 0.00 174.94 175.27 2c1e s ASN 51 N 1.51 5.56 -0.45 3.58 2.47 0.33 -1.06 114.94 126.88 2c1e s ASN 51 Ca 0.01 -2.10 -0.16 0.00 0.42 0.00 0.00 52.86 51.04 2c1e s ASN 51 Cb -0.19 -1.95 0.05 0.00 -1.45 0.00 0.00 41.25 37.71 2c1e s ASN 51 CO 0.05 -0.61 0.37 0.20 -3.72 0.00 0.00 177.10 173.40 2c1e s ASN 52 N 2.16 6.14 -0.21 -4.21 -0.87 -0.32 -1.21 114.94 116.42 2c1e s ASN 52 Ca 0.08 -1.09 -0.04 0.00 -1.57 0.00 0.00 52.86 50.25 2c1e s ASN 52 Cb -0.24 -2.18 -0.11 0.00 -0.02 0.00 0.00 41.25 38.70 2c1e s ASN 52 CO -0.02 -0.57 -0.22 1.17 -2.57 0.00 0.00 177.10 174.88 2c1e n LYS 53 N 5.26 0.48 -4.43 -0.60 4.81 -1.26 -4.53 118.16 117.89 2c1e n LYS 53 Ca -0.11 0.15 -0.34 0.00 -0.87 0.00 0.00 58.31 57.14 2c1e n LYS 53 Cb 0.45 -1.34 -0.12 0.00 0.02 0.00 0.00 35.03 34.04 2c1e n LYS 53 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2c1e s ASN 54 N -6.37 4.78 0.19 3.14 0.01 -1.26 -0.91 114.94 114.52 2c1e s ASN 54 Ca -0.28 -0.12 0.09 0.00 -0.71 0.00 0.00 52.86 51.84 2c1e s ASN 54 Cb 0.09 -1.73 -0.04 0.00 0.41 0.00 0.00 41.25 39.98 2c1e s ASN 54 CO 0.43 0.19 -0.09 -0.36 -1.51 0.00 0.00 177.10 175.75 2c1e s PHE 55 N 0.25 2.63 0.29 2.20 0.40 -1.26 -4.82 117.98 117.66 2c1e s PHE 55 Ca -0.03 -0.22 -0.30 0.00 -0.60 0.00 0.00 56.93 55.78 2c1e s PHE 55 Cb -0.14 -1.28 -0.11 0.00 0.51 0.00 0.00 43.02 42.00 2c1e s PHE 55 CO 0.03 0.52 1.54 -1.01 0.70 0.00 0.00 175.22 176.99 2c1e s HIS 56 N -1.74 2.81 0.45 0.36 3.76 -0.33 -4.87 115.29 115.74 2c1e s HIS 56 Ca 0.25 0.90 0.19 0.00 -0.15 0.00 0.00 55.06 56.25 2c1e s HIS 56 Cb -0.09 -3.99 1.16 0.00 1.11 0.00 0.00 32.58 30.77 2c1e s HIS 56 CO 0.15 -3.25 1.91 -0.22 -0.85 0.00 0.00 174.74 172.48 2c1e h LYS 57 N 4.69 0.30 -0.27 1.40 3.64 -1.90 -0.30 116.57 124.13 2c1e h LYS 57 Ca -0.47 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 58.97 2c1e h LYS 57 Cb 1.22 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2c1e h LYS 57 CO 0.77 0.20 0.26 0.66 -2.27 0.00 0.00 179.45 179.07 2c1e h SER 58 N 0.31 0.00 1.11 4.20 4.64 -1.94 -1.15 113.55 120.72 2c1e h SER 58 Ca 0.39 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.67 2c1e h SER 58 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 2c1e h SER 58 CO -0.11 0.00 -0.91 0.71 -0.87 0.00 0.00 176.83 175.65 2c1e h THR 59 N 0.00 0.15 0.00 2.95 1.35 -1.37 -3.48 112.91 112.51 2c1e h THR 59 Ca 0.13 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 2c1e h THR 59 Cb 0.66 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 2c1e h THR 59 CO -0.00 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 2c1e n GLY 60 N 1.21 0.51 3.78 5.82 0.00 -0.44 -5.01 105.19 111.07 2c1e n GLY 60 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2c1e n GLY 60 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2c1e s MET 61 N -0.27 4.54 0.40 1.61 -1.94 -1.26 -5.06 119.30 117.33 2c1e s MET 61 Ca 0.00 1.18 -0.12 0.00 -1.71 0.00 0.00 55.69 55.04 2c1e s MET 61 Cb 0.00 -3.08 -0.07 0.00 2.01 0.00 0.00 34.83 33.69 2c1e s MET 61 CO 0.00 0.46 0.78 0.95 -0.01 0.00 0.00 175.02 177.20 2c1e s THR 62 N -1.34 4.75 0.68 2.05 -4.23 -1.26 -4.61 115.64 111.69 2c1e s THR 62 Ca 0.41 0.71 -0.16 0.00 -1.18 0.00 0.00 61.69 61.47 2c1e s THR 62 Cb -0.21 -3.71 0.01 0.00 1.34 0.00 0.00 72.50 69.93 2c1e s THR 62 CO 0.25 -0.48 1.19 -0.94 -0.54 0.00 0.00 174.62 174.10 2c1e s SER 63 N -3.01 4.65 -1.01 3.99 1.04 -1.26 -4.76 113.70 113.34 2c1e s SER 63 Ca 0.52 2.28 -0.05 0.00 0.48 0.00 0.00 55.95 59.19 2c1e s SER 63 Cb -0.10 -2.58 0.26 0.00 0.10 0.00 0.00 66.02 63.70 2c1e s SER 63 CO 0.29 -1.95 1.04 0.54 0.98 0.00 0.00 173.24 174.13 2c1e n ARG 64 N -2.37 3.31 -1.69 4.02 1.74 -0.09 -5.03 116.66 116.56 2c1e n ARG 64 Ca 0.13 -4.50 -0.43 0.00 -0.77 0.00 0.00 57.85 52.28 2c1e n ARG 64 Cb 0.50 -2.48 -0.01 0.00 -1.02 0.00 0.00 32.46 29.46 2c1e n ARG 64 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2c1e n SER 65 N 2.20 2.74 0.00 0.55 3.41 -1.26 -2.12 113.62 119.14 2c1e n SER 65 Ca 0.24 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 60.04 2c1e n SER 65 Cb 0.37 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 2c1e n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c1e n GLY 66 N 1.20 1.99 0.24 5.00 0.00 -1.26 -4.92 105.19 107.44 2c1e n GLY 66 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.14 2c1e n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c1e h THR 67 N 0.00 1.12 -0.12 2.61 1.03 -1.83 -1.95 112.91 113.77 2c1e h THR 67 Ca 0.00 -0.56 -0.04 0.00 -0.01 0.00 0.00 66.41 65.80 2c1e h THR 67 Cb 0.00 1.20 -0.01 0.00 -1.07 0.00 0.00 68.15 68.27 2c1e h THR 67 CO 0.00 0.17 -0.13 0.44 -0.01 0.00 0.00 175.52 175.99 2c1e h ASP 68 N 0.10 0.18 -0.64 0.00 3.32 -1.91 -0.14 116.42 117.32 2c1e h ASP 68 Ca 0.02 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 2c1e h ASP 68 Cb 0.27 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 2c1e h ASP 68 CO 0.02 0.33 0.15 0.58 -1.72 0.00 0.00 179.24 178.60 2c1e h VAL 69 N 0.19 1.26 -0.16 -1.35 2.07 -1.77 -0.88 116.25 115.60 2c1e h VAL 69 Ca 0.04 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 2c1e h VAL 69 Cb 0.34 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2c1e h VAL 69 CO 0.02 0.35 0.04 0.44 0.02 0.00 0.00 177.57 178.44 2c1e h ASP 70 N 0.95 0.23 -0.58 0.57 3.32 -1.20 -1.17 116.42 118.55 2c1e h ASP 70 Ca 0.20 -0.23 0.05 0.00 0.02 0.00 0.00 57.03 57.08 2c1e h ASP 70 Cb 0.36 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 2c1e h ASP 70 CO 0.00 0.40 0.31 0.00 -1.72 0.00 0.00 179.24 178.23 2c1e h ALA 71 N 0.84 0.76 -0.44 3.45 0.00 -0.84 -0.05 119.26 122.98 2c1e h ALA 71 Ca 0.05 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2c1e h ALA 71 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2c1e h ALA 71 CO 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 179.25 178.93 2c1e h ALA 72 N 1.31 0.62 -0.49 0.00 0.00 -1.11 -1.66 119.26 117.93 2c1e h ALA 72 Ca 0.26 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2c1e h ALA 72 Cb 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2c1e h ALA 72 CO -0.17 0.66 0.29 -0.97 0.00 0.00 0.00 179.25 179.05 2c1e h ASN 73 N 0.80 0.60 -0.66 0.00 -0.73 -0.77 -2.16 115.58 112.65 2c1e h ASN 73 Ca 0.09 -0.07 -0.04 0.00 1.87 0.00 0.00 56.30 58.14 2c1e h ASN 73 Cb 0.87 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 39.28 2c1e h ASN 73 CO 0.08 0.49 0.24 -0.07 -0.37 0.00 0.00 177.43 177.81 2c1e h LEU 74 N 0.65 0.93 -0.43 0.34 3.38 -0.91 -0.60 115.31 118.68 2c1e h LEU 74 Ca 0.17 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2c1e h LEU 74 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2c1e h LEU 74 CO -0.03 0.87 0.27 -0.09 0.09 0.00 0.00 178.44 179.54 2c1e h ARG 75 N 0.94 0.53 -0.29 1.13 2.43 -0.96 -0.66 114.38 117.50 2c1e h ARG 75 Ca 0.22 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 2c1e h ARG 75 Cb 0.24 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2c1e h ARG 75 CO -0.01 0.35 -0.15 1.49 -1.51 0.00 0.00 179.97 180.14 2c1e h GLU 76 N 0.55 0.61 0.04 0.20 4.57 -1.24 -1.11 114.58 118.20 2c1e h GLU 76 Ca 0.16 -0.27 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2c1e h GLU 76 Cb -0.03 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 2c1e h GLU 76 CO -0.05 0.85 -0.02 1.15 -1.18 0.00 0.00 179.01 179.75 2c1e h THR 77 N 0.36 0.97 0.00 0.32 2.02 -0.92 -2.18 112.91 113.48 2c1e h THR 77 Ca 0.06 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 2c1e h THR 77 Cb 0.67 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2c1e h THR 77 CO 0.04 0.01 -0.11 -0.26 0.37 0.00 0.00 175.52 175.57 2c1e h PHE 78 N -0.07 0.00 -0.36 3.16 0.04 -1.16 -2.97 116.94 115.57 2c1e h PHE 78 Ca -0.01 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 2c1e h PHE 78 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 2c1e h PHE 78 CO -0.07 0.11 0.03 -0.09 -0.60 0.00 0.00 178.31 177.69 2c1e h ARG 79 N 0.00 0.62 0.00 1.51 2.43 -0.89 -1.04 114.38 117.01 2c1e h ARG 79 Ca -0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2c1e h ARG 79 Cb 0.81 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2c1e h ARG 79 CO 0.01 0.71 0.00 0.09 -1.51 0.00 0.00 179.97 179.27 2c1e n ASN 80 N -4.53 0.57 -0.77 -3.80 5.03 -0.85 -0.77 115.26 110.13 2c1e n ASN 80 Ca -0.01 0.66 0.12 0.00 0.87 0.00 0.00 54.58 56.22 2c1e n ASN 80 Cb 0.25 -0.77 0.30 0.00 -1.02 0.00 0.00 39.78 38.54 2c1e n ASN 80 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2c1e n LEU 81 N -2.14 2.38 -0.52 3.41 4.77 -0.92 -4.95 117.00 119.03 2c1e n LEU 81 Ca 0.02 -0.88 -0.05 0.00 -0.03 0.00 0.00 56.01 55.07 2c1e n LEU 81 Cb 0.19 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 2c1e n LEU 81 CO 0.17 0.44 -0.06 0.29 -1.33 0.00 0.00 177.39 176.90 2c1e n LYS 82 N 0.83 -0.38 -3.16 3.23 4.76 0.05 -4.94 118.16 118.54 2c1e n LYS 82 Ca 0.17 0.31 -0.30 0.00 -2.87 0.00 0.00 58.31 55.62 2c1e n LYS 82 Cb 0.48 -4.07 -0.04 0.00 -1.84 0.00 0.00 35.03 29.55 2c1e n LYS 82 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2c1e s TYR 83 N -2.23 3.45 -0.81 2.13 1.51 -0.44 -4.16 117.35 116.79 2c1e s TYR 83 Ca 0.00 0.91 -0.22 0.00 -1.01 0.00 0.00 57.07 56.75 2c1e s TYR 83 Cb 0.00 -2.31 0.08 0.00 -0.11 0.00 0.00 41.96 39.62 2c1e s TYR 83 CO 0.00 0.09 1.12 -2.00 -1.11 0.00 0.00 175.55 173.65 2c1e s GLU 84 N -3.41 3.36 -0.04 -0.62 2.12 -0.21 -4.54 118.70 115.36 2c1e s GLU 84 Ca 0.49 -1.15 -0.27 0.00 0.36 0.00 0.00 54.97 54.40 2c1e s GLU 84 Cb -0.11 -4.63 -0.03 0.00 0.26 0.00 0.00 34.13 29.62 2c1e s GLU 84 CO 0.27 -1.89 0.85 0.08 -0.54 0.00 0.00 175.26 174.03 2c1e s VAL 85 N 3.87 4.95 -0.10 3.70 1.01 -1.26 -1.41 120.40 131.15 2c1e s VAL 85 Ca 0.30 1.77 0.01 0.00 0.00 0.00 0.00 61.98 64.06 2c1e s VAL 85 Cb -0.09 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.12 2c1e s VAL 85 CO 0.01 0.19 -0.11 -0.13 0.00 0.00 0.00 175.10 175.07 2c1e s ARG 86 N 0.97 1.75 0.06 2.72 0.52 -0.44 -4.96 118.95 119.57 2c1e s ARG 86 Ca 0.45 -0.37 0.03 0.00 -0.52 0.00 0.00 55.73 55.32 2c1e s ARG 86 Cb -0.19 -1.64 -0.04 0.00 0.52 0.00 0.00 34.95 33.60 2c1e s ARG 86 CO 0.23 -0.16 0.04 1.21 0.02 0.00 0.00 175.30 176.64 2c1e s ASN 87 N 1.31 5.29 -0.02 0.23 2.47 -1.26 -0.91 114.94 122.05 2c1e s ASN 87 Ca -0.02 -0.05 -0.01 0.00 0.42 0.00 0.00 52.86 53.21 2c1e s ASN 87 Cb -0.14 -1.37 0.02 0.00 -1.45 0.00 0.00 41.25 38.31 2c1e s ASN 87 CO -0.05 0.20 0.04 -0.54 -3.72 0.00 0.00 177.10 173.04 2c1e s LYS 88 N -2.13 -0.00 0.05 0.43 -0.14 -0.21 -4.95 119.74 112.78 2c1e s LYS 88 Ca 0.26 0.14 0.06 0.00 -1.36 0.00 0.00 55.97 55.07 2c1e s LYS 88 Cb -0.12 -0.14 -0.04 0.00 -1.68 0.00 0.00 37.83 35.85 2c1e s LYS 88 CO 0.18 -0.10 -0.11 -0.80 -0.76 0.00 0.00 175.35 173.75 2c1e s ASN 89 N 0.67 4.33 -0.90 2.83 0.01 -1.26 -0.51 114.94 120.12 2c1e s ASN 89 Ca -0.06 -0.30 -0.06 0.00 -0.71 0.00 0.00 52.86 51.73 2c1e s ASN 89 Cb -0.08 -0.87 0.01 0.00 0.41 0.00 0.00 41.25 40.72 2c1e s ASN 89 CO -0.02 0.24 0.63 0.47 -1.51 0.00 0.00 177.10 176.90 2c1e n ASP 90 N 1.24 -4.90 -4.86 -1.22 10.43 -0.35 -4.95 116.55 111.94 2c1e n ASP 90 Ca -0.15 -0.98 -0.37 0.00 2.57 0.00 0.00 54.79 55.87 2c1e n ASP 90 Cb 0.52 -1.91 -0.06 0.00 1.84 0.00 0.00 41.12 41.51 2c1e n ASP 90 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2c1e s LEU 91 N -5.37 4.42 0.88 0.64 1.43 -1.26 -4.87 118.68 114.55 2c1e s LEU 91 Ca 0.09 0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 53.83 2c1e s LEU 91 Cb -0.05 -2.51 0.12 0.00 0.03 0.00 0.00 46.19 43.78 2c1e s LEU 91 CO 0.90 0.32 1.14 0.42 0.23 0.00 0.00 176.35 179.36 2c1e s THR 92 N -1.14 2.13 0.33 5.49 -4.23 -1.26 -0.74 115.64 116.23 2c1e s THR 92 Ca 0.23 0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.80 2c1e s THR 92 Cb -0.15 -2.83 0.23 0.00 1.34 0.00 0.00 72.50 71.10 2c1e s THR 92 CO 0.12 -0.06 1.96 0.08 -0.54 0.00 0.00 174.62 176.18 2c1e h ARG 93 N -1.38 0.82 -0.45 3.99 0.11 -1.86 -0.68 114.38 114.93 2c1e h ARG 93 Ca -0.49 -0.08 -0.09 0.00 0.10 0.00 0.00 59.98 59.42 2c1e h ARG 93 Cb 1.32 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 32.22 2c1e h ARG 93 CO 0.62 0.60 -0.06 0.93 0.10 0.00 0.00 179.97 182.16 2c1e h GLU 94 N 0.83 0.84 -0.14 0.08 3.07 -1.95 -2.59 114.58 114.73 2c1e h GLU 94 Ca 0.22 -0.30 -0.09 0.00 -0.50 0.00 0.00 59.36 58.68 2c1e h GLU 94 Cb 0.01 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 2c1e h GLU 94 CO -0.04 0.93 -0.33 0.93 -1.40 0.00 0.00 179.01 179.10 2c1e h GLU 95 N 0.68 0.28 -0.12 2.33 5.08 -1.76 -0.99 114.58 120.07 2c1e h GLU 95 Ca 0.12 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2c1e h GLU 95 Cb 0.59 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 2c1e h GLU 95 CO 0.04 0.58 0.02 0.82 -1.00 0.00 0.00 179.01 179.47 2c1e h ILE 96 N 0.24 1.22 -0.70 3.13 2.04 -1.02 -0.30 117.51 122.11 2c1e h ILE 96 Ca 0.03 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 2c1e h ILE 96 Cb 0.71 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 2c1e h ILE 96 CO 0.05 0.20 0.21 0.58 0.00 0.00 0.00 178.15 179.19 2c1e h VAL 97 N -0.03 1.26 -0.59 1.67 2.07 -1.30 -1.56 116.25 117.76 2c1e h VAL 97 Ca 0.04 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 2c1e h VAL 97 Cb 0.30 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2c1e h VAL 97 CO 0.00 0.35 0.16 -0.08 0.02 0.00 0.00 177.57 178.03 2c1e h GLU 98 N 1.04 0.94 -0.15 1.57 4.81 -1.09 -0.09 114.58 121.61 2c1e h GLU 98 Ca 0.23 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2c1e h GLU 98 Cb 0.32 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2c1e h GLU 98 CO -0.00 0.85 0.07 1.25 -0.73 0.00 0.00 179.01 180.45 2c1e h LEU 99 N 0.85 0.19 -0.55 1.64 5.85 -0.82 -0.23 115.31 122.23 2c1e h LEU 99 Ca 0.19 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2c1e h LEU 99 Cb 0.33 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2c1e h LEU 99 CO -0.00 0.25 0.22 0.24 -0.34 0.00 0.00 178.44 178.81 2c1e h MET 100 N 0.12 0.83 -0.05 1.25 2.86 -1.16 -0.59 114.93 118.19 2c1e h MET 100 Ca 0.05 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2c1e h MET 100 Cb 0.11 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 2c1e h MET 100 CO -0.01 0.72 0.02 -0.09 1.06 0.00 0.00 176.91 178.62 2c1e h ARG 101 N 0.76 0.07 -0.13 1.72 2.43 -0.88 -0.95 114.38 117.40 2c1e h ARG 101 Ca 0.18 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 2c1e h ARG 101 Cb 0.20 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2c1e h ARG 101 CO -0.01 0.15 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.14 2c1e h ASP 102 N -0.03 -0.08 -0.91 -3.80 3.45 -0.86 -2.03 116.42 112.15 2c1e h ASP 102 Ca 0.02 0.03 0.02 0.00 0.43 0.00 0.00 57.03 57.52 2c1e h ASP 102 Cb 0.10 0.06 -0.05 0.00 -0.56 0.00 0.00 39.33 38.89 2c1e h ASP 102 CO -0.00 -0.02 0.60 0.58 -1.57 0.00 0.00 179.24 178.82 2c1e h VAL 103 N 0.02 1.21 0.00 -1.35 2.07 -1.03 -1.61 116.25 115.57 2c1e h VAL 103 Ca 0.06 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 2c1e h VAL 103 Cb 0.08 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.74 2c1e h VAL 103 CO -0.11 0.22 -0.08 0.77 0.02 0.00 0.00 177.57 178.38 2c1e h SER 104 N 1.21 0.00 -0.18 0.57 4.64 -0.78 -2.24 113.55 116.78 2c1e h SER 104 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2c1e h SER 104 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2c1e h SER 104 CO -0.09 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 2c1e n LYS 105 N -3.37 1.79 -1.92 4.77 5.02 -0.61 -4.81 118.16 119.02 2c1e n LYS 105 Ca -0.01 -1.18 -0.30 0.00 -2.02 0.00 0.00 58.31 54.79 2c1e n LYS 105 Cb 0.25 -1.41 0.03 0.00 -0.02 0.00 0.00 35.03 33.89 2c1e n LYS 105 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2c1e s GLU 106 N -1.78 3.17 -0.58 1.97 2.02 -0.85 -5.00 118.70 117.67 2c1e s GLU 106 Ca 0.33 0.55 -0.23 0.00 0.02 0.00 0.00 54.97 55.64 2c1e s GLU 106 Cb 0.18 -2.06 0.05 0.00 0.10 0.00 0.00 34.13 32.40 2c1e s GLU 106 CO 0.27 -0.81 0.90 0.34 0.02 0.00 0.00 175.26 175.97 2c1e s ASP 107 N -4.28 6.27 -0.11 -0.19 -1.08 -1.26 -4.88 116.67 111.13 2c1e s ASP 107 Ca 0.56 -0.66 0.11 0.00 -0.52 0.00 0.00 52.55 52.05 2c1e s ASP 107 Cb -0.11 -2.41 0.52 0.00 -1.46 0.00 0.00 42.92 39.47 2c1e s ASP 107 CO 0.52 -1.25 1.35 1.41 0.52 0.00 0.00 175.17 177.73 2c1e n HIS 108 N 7.34 1.20 -0.35 -5.34 8.25 -1.26 -4.58 115.22 120.48 2c1e n HIS 108 Ca -0.01 -0.45 0.12 0.00 -0.26 0.00 0.00 57.72 57.12 2c1e n HIS 108 Cb 0.46 -0.27 0.30 0.00 1.12 0.00 0.00 29.99 31.60 2c1e n HIS 108 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2c1e h SER 109 N 2.78 0.81 -0.34 0.41 0.02 -1.90 -0.88 113.55 114.44 2c1e h SER 109 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2c1e h SER 109 Cb 1.26 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2c1e h SER 109 CO 0.24 0.32 0.00 0.29 -1.14 0.00 0.00 176.83 176.53 2c1e n LYS 110 N -4.74 1.96 -4.25 3.45 4.76 -1.26 -4.89 118.16 113.18 2c1e n LYS 110 Ca 0.22 -1.48 -0.35 0.00 -2.87 0.00 0.00 58.31 53.83 2c1e n LYS 110 Cb 0.52 -1.37 -0.09 0.00 -1.84 0.00 0.00 35.03 32.25 2c1e n LYS 110 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2c1e s ARG 111 N -1.55 3.21 0.19 1.97 0.52 -0.34 -1.32 118.95 121.64 2c1e s ARG 111 Ca 0.31 -0.36 0.04 0.00 -0.52 0.00 0.00 55.73 55.20 2c1e s ARG 111 Cb 0.17 -2.91 0.09 0.00 0.52 0.00 0.00 34.95 32.81 2c1e s ARG 111 CO 0.23 0.64 1.45 0.77 0.02 0.00 0.00 175.30 178.41 2c1e h SER 112 N 5.40 0.22 -2.00 0.23 0.02 -0.63 -3.47 113.55 113.31 2c1e h SER 112 Ca -0.49 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.27 2c1e h SER 112 Cb 1.20 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 2c1e h SER 112 CO 0.57 0.91 0.08 -1.54 -1.14 0.00 0.00 176.83 175.71 2c1e n SER 113 N -3.71 -0.90 -3.80 3.07 3.41 -0.07 -4.32 113.62 107.29 2c1e n SER 113 Ca -0.03 -1.70 -0.13 0.00 -0.26 0.00 0.00 58.87 56.75 2c1e n SER 113 Cb 0.74 1.52 -0.14 0.00 -0.26 0.00 0.00 64.21 66.07 2c1e n SER 113 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2c1e s PHE 114 N -5.70 -0.09 -0.03 7.33 5.36 -0.81 -3.88 117.98 120.15 2c1e s PHE 114 Ca 0.08 0.29 0.03 0.00 -0.96 0.00 0.00 56.93 56.36 2c1e s PHE 114 Cb -0.02 -0.05 0.00 0.00 -0.34 0.00 0.00 43.02 42.61 2c1e s PHE 114 CO 0.06 -0.09 -0.11 0.08 -1.46 0.00 0.00 175.22 173.70 2c1e s VAL 115 N 0.56 0.96 -0.05 3.12 1.01 0.15 -0.46 120.40 125.70 2c1e s VAL 115 Ca -0.04 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2c1e s VAL 115 Cb -0.06 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.50 2c1e s VAL 115 CO -0.02 0.29 -0.04 0.00 0.00 0.00 0.00 175.10 175.33 2c1e s VAL 117 N 1.05 2.69 -0.21 0.00 1.01 0.11 -0.76 120.40 124.28 2c1e s VAL 117 Ca -0.09 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 2c1e s VAL 117 Cb -0.14 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 2c1e s VAL 117 CO -0.01 0.53 -0.06 -0.76 0.00 0.00 0.00 175.10 174.80 2c1e s LEU 118 N 0.54 2.80 -0.28 3.92 1.43 0.27 -1.02 118.68 126.34 2c1e s LEU 118 Ca -0.10 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 2c1e s LEU 118 Cb -0.16 -1.70 0.07 0.00 0.03 0.00 0.00 46.19 44.43 2c1e s LEU 118 CO 0.04 -0.01 -0.06 -0.76 0.23 0.00 0.00 176.35 175.79 2c1e s LEU 119 N 1.42 3.84 0.00 1.79 1.43 -0.22 -1.04 118.68 125.90 2c1e s LEU 119 Ca 0.05 -1.61 -0.14 0.00 -1.03 0.00 0.00 54.13 51.40 2c1e s LEU 119 Cb -0.14 -1.58 0.05 0.00 0.03 0.00 0.00 46.19 44.55 2c1e s LEU 119 CO -0.04 -0.25 0.65 -0.24 0.23 0.00 0.00 176.35 176.70 2c1e n SER 120 N 4.39 -0.75 -4.86 2.29 2.88 -1.00 -1.17 113.62 115.41 2c1e n SER 120 Ca -0.09 -1.25 -0.31 0.00 -1.33 0.00 0.00 58.87 55.89 2c1e n SER 120 Cb 0.42 1.18 0.03 0.00 -0.75 0.00 0.00 64.21 65.09 2c1e n SER 120 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2c1e s HIS 121 N -2.94 3.46 0.16 0.66 3.76 -1.26 -4.09 115.29 115.02 2c1e s HIS 121 Ca 0.15 1.30 -0.24 0.00 -0.15 0.00 0.00 55.06 56.12 2c1e s HIS 121 Cb -0.01 -2.80 0.08 0.00 1.11 0.00 0.00 32.58 30.96 2c1e s HIS 121 CO 0.01 -0.89 1.04 0.20 -0.85 0.00 0.00 174.74 174.24 2c1e s GLY 122 N -4.09 -0.03 0.29 -2.22 0.00 -1.26 -1.30 107.32 98.70 2c1e s GLY 122 Ca 0.56 -0.11 0.02 0.00 0.00 0.00 0.00 44.72 45.19 2c1e s GLY 122 CO 0.54 1.58 0.29 -0.54 0.00 0.00 0.00 173.10 174.97 2c1e s GLU 123 N -2.52 1.62 -0.04 2.90 2.02 -0.94 -3.79 118.70 117.95 2c1e s GLU 123 Ca 0.19 -1.81 -0.34 0.00 0.02 0.00 0.00 54.97 53.02 2c1e s GLU 123 Cb -0.02 0.34 -0.12 0.00 0.10 0.00 0.00 34.13 34.44 2c1e s GLU 123 CO 0.04 -0.61 1.83 -1.91 0.02 0.00 0.00 175.26 174.63 2c1e n GLU 124 N -0.50 2.20 -0.95 1.61 4.07 -1.21 -1.05 120.64 124.82 2c1e n GLU 124 Ca 0.04 0.81 0.00 0.00 -0.06 0.00 0.00 57.16 57.95 2c1e n GLU 124 Cb 0.63 -2.64 0.00 0.00 -0.06 0.00 0.00 31.44 29.37 2c1e n GLU 124 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2c1e n GLY 125 N 4.22 0.40 3.10 8.31 0.00 -1.26 -5.00 105.19 114.97 2c1e n GLY 125 Ca 0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.05 2c1e n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c1e s ILE 126 N -1.98 0.92 -0.04 -0.61 1.01 -0.21 -1.40 121.20 118.89 2c1e s ILE 126 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.81 2c1e s ILE 126 Cb 0.00 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.62 2c1e s ILE 126 CO 0.00 -0.03 -0.16 -0.51 0.00 0.00 0.00 174.94 174.24 2c1e s ILE 127 N -0.81 1.36 -0.13 2.92 1.10 -0.68 -2.21 121.20 122.74 2c1e s ILE 127 Ca -0.00 -0.69 -0.19 0.00 -0.51 0.00 0.00 60.65 59.26 2c1e s ILE 127 Cb -0.07 -1.16 -0.04 0.00 0.15 0.00 0.00 42.46 41.34 2c1e s ILE 127 CO 0.01 0.39 0.51 -0.36 -2.11 0.00 0.00 174.94 173.38 2c1e s PHE 128 N -0.03 3.49 0.84 3.50 0.40 -0.42 -0.68 117.98 125.08 2c1e s PHE 128 Ca -0.02 0.91 -0.11 0.00 -0.60 0.00 0.00 56.93 57.11 2c1e s PHE 128 Cb -0.10 -2.61 0.14 0.00 0.51 0.00 0.00 43.02 40.96 2c1e s PHE 128 CO 0.01 0.09 1.18 0.20 0.70 0.00 0.00 175.22 177.41 2c1e s GLY 129 N 0.77 1.73 0.22 4.36 0.00 0.28 -4.61 107.32 110.07 2c1e s GLY 129 Ca 0.27 -1.15 0.22 0.00 0.00 0.00 0.00 44.72 44.05 2c1e s GLY 129 CO 0.11 -0.54 1.66 -1.30 0.00 0.00 0.00 173.10 173.03 2c1e n THR 130 N -3.36 0.90 -0.87 0.90 -2.24 0.08 -2.91 114.28 106.79 2c1e n THR 130 Ca 0.13 0.29 0.04 0.00 -2.27 0.00 0.00 64.05 62.23 2c1e n THR 130 Cb 0.60 -1.21 0.05 0.00 -2.10 0.00 0.00 70.33 67.68 2c1e n THR 130 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2c1e n ASN 131 N -2.13 1.52 0.00 3.42 6.94 -1.26 -1.19 115.26 122.56 2c1e n ASN 131 Ca 0.02 -2.26 0.00 0.00 -0.02 0.00 0.00 54.58 52.32 2c1e n ASN 131 Cb 0.20 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2c1e n ASN 131 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2c1e n GLY 132 N -0.70 2.37 3.82 4.83 0.00 -1.14 -4.90 105.19 109.47 2c1e n GLY 132 Ca 0.06 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 2c1e n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2c1e s PRO 133 N -1.97 3.23 -0.05 1.61 0.04 -1.26 0.10 135.00 136.71 2c1e s PRO 133 Ca 0.00 1.04 -0.00 0.00 0.04 0.00 0.00 61.00 62.07 2c1e s PRO 133 Cb 0.00 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.54 2c1e s PRO 133 CO 0.00 -0.87 0.00 0.08 0.04 0.00 0.00 177.00 176.25 2c1e s VAL 134 N -2.79 0.25 0.10 -0.36 1.01 0.15 -4.77 120.40 113.99 2c1e s VAL 134 Ca 0.60 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 62.38 2c1e s VAL 134 Cb -0.14 -0.38 -0.09 0.00 0.00 0.00 0.00 36.38 35.77 2c1e s VAL 134 CO 0.46 0.20 1.56 -1.81 0.00 0.00 0.00 175.10 175.50 2c1e s ASP 135 N 1.44 6.66 0.46 3.32 -0.00 -1.26 -1.69 116.67 125.59 2c1e s ASP 135 Ca -0.04 2.47 0.14 0.00 -0.00 0.00 0.00 52.55 55.13 2c1e s ASP 135 Cb -0.13 -2.58 1.09 0.00 -0.00 0.00 0.00 42.92 41.30 2c1e s ASP 135 CO -0.03 -0.81 2.03 -0.07 -0.00 0.00 0.00 175.17 176.29 2c1e h LEU 136 N 7.64 0.27 -1.09 1.23 3.38 -1.58 -0.96 115.31 124.19 2c1e h LEU 136 Ca -0.42 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.55 2c1e h LEU 136 Cb 1.20 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 2c1e h LEU 136 CO 0.91 0.17 0.52 0.50 0.09 0.00 0.00 178.44 180.64 2c1e h LYS 137 N 0.31 1.14 -0.61 1.13 1.63 -1.89 -0.79 116.57 117.48 2c1e h LYS 137 Ca 0.20 -0.09 -0.06 0.00 -0.85 0.00 0.00 60.65 59.84 2c1e h LYS 137 Cb 0.38 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 2c1e h LYS 137 CO -0.04 0.79 0.14 -0.22 -3.45 0.00 0.00 179.45 176.67 2c1e h LYS 138 N 1.16 0.96 -0.05 1.90 3.64 -1.55 -0.44 116.57 122.19 2c1e h LYS 138 Ca 0.31 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2c1e h LYS 138 Cb -0.07 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 2c1e h LYS 138 CO -0.06 0.86 -0.03 0.82 -2.27 0.00 0.00 179.45 178.77 2c1e h ILE 139 N 0.92 1.34 0.00 2.00 2.04 -1.25 -3.27 117.51 119.29 2c1e h ILE 139 Ca 0.20 -1.07 -0.09 0.00 1.00 0.00 0.00 64.86 64.90 2c1e h ILE 139 Cb 0.34 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2c1e h ILE 139 CO 0.00 0.29 -0.41 0.71 0.00 0.00 0.00 178.15 178.74 2c1e h THR 140 N -0.30 1.00 -0.29 -0.27 1.35 -1.09 -3.15 112.91 110.16 2c1e h THR 140 Ca 0.01 -1.57 0.03 0.00 -0.55 0.00 0.00 66.41 64.33 2c1e h THR 140 Cb 0.48 1.92 -0.02 0.00 -1.73 0.00 0.00 68.15 68.81 2c1e h THR 140 CO 0.01 0.40 0.20 0.78 -0.25 0.00 0.00 175.52 176.66 2c1e h ASN 141 N 0.00 0.24 -0.01 5.36 2.35 -1.12 -0.77 115.58 121.63 2c1e h ASN 141 Ca -0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2c1e h ASN 141 Cb 0.89 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 2c1e h ASN 141 CO 0.05 0.16 0.01 -0.26 -1.65 0.00 0.00 177.43 175.75 2c1e h PHE 142 N 0.27 0.00 -0.56 1.19 0.04 -1.66 -1.99 116.94 114.23 2c1e h PHE 142 Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.89 2c1e h PHE 142 Cb 0.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.29 2c1e h PHE 142 CO -0.00 0.00 0.00 1.19 -0.60 0.00 0.00 178.31 178.90 2c1e n PHE 143 N -3.70 0.74 -1.38 -0.55 3.72 -0.30 -4.06 117.46 111.94 2c1e n PHE 143 Ca -0.03 -0.44 -0.37 0.00 -0.05 0.00 0.00 57.45 56.56 2c1e n PHE 143 Cb 0.09 -0.01 0.06 0.00 -0.94 0.00 0.00 39.48 38.68 2c1e n PHE 143 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2c1e n ARG 144 N 1.31 0.46 0.06 -1.08 1.74 -0.75 -4.57 116.66 113.83 2c1e n ARG 144 Ca 0.20 0.19 0.19 0.00 -0.77 0.00 0.00 57.85 57.67 2c1e n ARG 144 Cb 0.56 -1.88 0.73 0.00 -1.02 0.00 0.00 32.46 30.84 2c1e n ARG 144 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2c1e h GLY 145 N -0.09 0.00 0.50 -0.13 0.00 -1.91 -1.01 103.07 100.43 2c1e h GLY 145 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2c1e h GLY 145 CO 0.45 0.00 -1.04 2.09 0.00 0.00 0.00 176.54 178.04 2c1e n ASP 146 N -4.15 0.62 -0.01 0.19 5.75 -1.26 -4.35 116.55 113.34 2c1e n ASP 146 Ca 0.07 -0.32 0.10 0.00 -0.01 0.00 0.00 54.79 54.63 2c1e n ASP 146 Cb 0.54 0.86 -0.17 0.00 -1.03 0.00 0.00 41.12 41.32 2c1e n ASP 146 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2c1e n ARG 147 N -1.88 0.65 -3.62 0.11 1.74 -0.49 -4.66 116.66 108.52 2c1e n ARG 147 Ca 0.02 -0.19 -0.28 0.00 -0.77 0.00 0.00 57.85 56.63 2c1e n ARG 147 Cb 0.42 -1.51 -0.11 0.00 -1.02 0.00 0.00 32.46 30.23 2c1e n ARG 147 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c1e h ARG 149 N 5.93 0.18 0.00 0.00 2.47 -1.83 -1.79 114.38 119.34 2c1e h ARG 149 Ca 0.15 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 2c1e h ARG 149 Cb 0.87 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.15 2c1e h ARG 149 CO 0.49 0.14 0.00 -1.13 0.56 0.00 0.00 179.97 180.03 2c1e n SER 150 N -4.50 0.00 -0.11 7.04 3.41 -1.26 -2.31 113.62 115.89 2c1e n SER 150 Ca -0.01 -0.32 0.01 0.00 -0.26 0.00 0.00 58.87 58.29 2c1e n SER 150 Cb 0.09 -0.16 0.01 0.00 -0.26 0.00 0.00 64.21 63.90 2c1e n SER 150 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2c1e n LEU 151 N -1.16 1.23 -4.72 1.04 4.77 -0.69 -4.11 117.00 113.36 2c1e n LEU 151 Ca 0.13 -1.01 -0.42 0.00 -0.03 0.00 0.00 56.01 54.68 2c1e n LEU 151 Cb 0.13 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2c1e n LEU 151 CO 0.14 0.28 1.37 0.41 -1.33 0.00 0.00 177.39 178.26 2c1e n THR 152 N 0.14 0.08 -0.72 -5.08 -1.04 -0.98 -1.17 114.28 105.51 2c1e n THR 152 Ca 0.02 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2c1e n THR 152 Cb 0.07 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 66.58 2c1e n THR 152 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2c1e n GLY 153 N 3.85 1.20 3.62 3.41 0.00 -1.26 -5.03 105.19 110.99 2c1e n GLY 153 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2c1e n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c1e s LYS 154 N -0.14 2.55 0.17 1.61 1.02 -0.32 -4.95 119.74 119.68 2c1e s LYS 154 Ca 0.00 -0.75 -0.31 0.00 0.02 0.00 0.00 55.97 54.93 2c1e s LYS 154 Cb 0.00 -2.52 -0.10 0.00 -0.52 0.00 0.00 37.83 34.69 2c1e s LYS 154 CO 0.00 0.59 1.50 -1.25 -0.92 0.00 0.00 175.35 175.27 2c1e s PRO 155 N -1.65 4.25 -0.29 -1.68 0.04 -1.26 -4.92 135.00 129.49 2c1e s PRO 155 Ca 0.19 2.29 0.01 0.00 0.04 0.00 0.00 61.00 63.52 2c1e s PRO 155 Cb -0.11 -3.16 0.06 0.00 0.04 0.00 0.00 34.50 31.32 2c1e s PRO 155 CO 0.10 -0.53 -0.04 0.15 0.04 0.00 0.00 177.00 176.72 2c1e s LYS 156 N 0.79 2.27 -0.20 4.56 1.02 -1.26 -1.92 119.74 125.01 2c1e s LYS 156 Ca 0.66 -1.36 -0.07 0.00 0.02 0.00 0.00 55.97 55.22 2c1e s LYS 156 Cb -0.42 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 2c1e s LYS 156 CO 0.34 -0.63 0.06 -0.51 -0.92 0.00 0.00 175.35 173.69 2c1e s LEU 157 N 1.16 3.74 -0.22 3.17 1.43 0.39 -5.01 118.68 123.34 2c1e s LEU 157 Ca -0.05 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 2c1e s LEU 157 Cb -0.20 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.11 2c1e s LEU 157 CO -0.03 0.13 -0.14 -0.36 0.23 0.00 0.00 176.35 176.18 2c1e s PHE 158 N 0.62 2.96 -0.28 0.29 0.40 -1.26 -0.71 117.98 120.01 2c1e s PHE 158 Ca 0.03 -1.98 -0.10 0.00 -0.60 0.00 0.00 56.93 54.28 2c1e s PHE 158 Cb -0.13 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.49 2c1e s PHE 158 CO 0.01 -0.83 0.14 0.42 0.70 0.00 0.00 175.22 175.66 2c1e s ILE 159 N 1.21 4.80 -0.22 0.64 1.01 0.06 -5.00 121.20 123.70 2c1e s ILE 159 Ca -0.03 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.53 2c1e s ILE 159 Cb -0.17 -3.32 0.04 0.00 0.01 0.00 0.00 42.46 39.02 2c1e s ILE 159 CO -0.08 0.22 -0.14 -0.63 0.00 0.00 0.00 174.94 174.31 2c1e s ILE 160 N 1.67 2.05 -0.48 2.92 1.01 -1.26 -0.57 121.20 126.55 2c1e s ILE 160 Ca 0.06 -1.28 -0.12 0.00 0.00 0.00 0.00 60.65 59.31 2c1e s ILE 160 Cb -0.16 -2.03 0.11 0.00 0.01 0.00 0.00 42.46 40.38 2c1e s ILE 160 CO 0.07 0.22 0.37 -1.58 0.00 0.00 0.00 174.94 174.02 2c1e s GLN 161 N 1.22 2.71 -0.21 2.79 2.00 -0.21 -5.00 119.66 122.96 2c1e s GLN 161 Ca -0.03 -1.62 -0.35 0.00 -2.00 0.00 0.00 55.36 51.37 2c1e s GLN 161 Cb -0.17 -4.02 0.15 0.00 0.80 0.00 0.00 33.01 29.77 2c1e s GLN 161 CO -0.09 -1.15 1.24 0.00 -0.50 0.00 0.00 175.29 174.79 2c1e s ALA 162 N 1.48 -2.09 0.77 1.58 0.00 -1.26 -2.36 121.76 119.88 2c1e s ALA 162 Ca 0.04 1.68 -0.12 0.00 0.00 0.00 0.00 51.96 53.56 2c1e s ALA 162 Cb -0.26 -0.36 0.06 0.00 0.00 0.00 0.00 23.12 22.56 2c1e s ALA 162 CO 0.02 -0.53 1.12 0.00 0.00 0.00 0.00 175.76 176.37 2c1e n ARG 164 N -3.32 0.79 -3.06 0.00 1.74 -1.26 -2.45 116.66 109.09 2c1e n ARG 164 Ca 0.10 -1.59 0.00 0.00 -0.77 0.00 0.00 57.85 55.60 2c1e n ARG 164 Cb 0.52 -0.93 0.00 0.00 -1.02 0.00 0.00 32.46 31.04 2c1e n ARG 164 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2c1e n GLY 165 N -0.59 -0.47 0.18 -0.13 0.00 -1.26 -3.34 105.19 99.57 2c1e n GLY 165 Ca 0.06 -1.34 0.09 0.00 0.00 0.00 0.00 46.02 44.82 2c1e n GLY 165 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2c1e n THR 166 N 9.00 1.73 -3.12 2.61 -2.24 -1.26 -4.97 114.28 116.03 2c1e n THR 166 Ca 0.00 -2.15 -0.33 0.00 -2.27 0.00 0.00 64.05 59.30 2c1e n THR 166 Cb 0.00 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.01 2c1e n THR 166 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2c1e s GLU 167 N -2.63 4.03 -0.02 -0.78 2.02 -1.26 -5.07 118.70 114.99 2c1e s GLU 167 Ca 0.30 0.71 0.08 0.00 0.02 0.00 0.00 54.97 56.08 2c1e s GLU 167 Cb 0.27 -2.45 -0.02 0.00 0.10 0.00 0.00 34.13 32.03 2c1e s GLU 167 CO 0.01 0.16 -0.25 -0.51 0.02 0.00 0.00 175.26 174.69 2c1e s LEU 168 N -2.93 2.09 -0.39 1.80 1.43 -1.26 -5.10 118.68 114.33 2c1e s LEU 168 Ca 0.54 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 53.02 2c1e s LEU 168 Cb -0.11 -1.35 0.01 0.00 0.03 0.00 0.00 46.19 44.77 2c1e s LEU 168 CO 0.17 0.32 0.39 -0.62 0.23 0.00 0.00 176.35 176.84 2c1e s ASP 169 N -0.64 6.18 0.32 2.29 -1.08 -1.26 -4.93 116.67 117.54 2c1e s ASP 169 Ca 0.10 -0.54 0.26 0.00 -0.52 0.00 0.00 52.55 51.85 2c1e s ASP 169 Cb -0.10 -2.21 1.00 0.00 -1.46 0.00 0.00 42.92 40.15 2c1e s ASP 169 CO -0.01 -0.48 1.77 0.00 0.52 0.00 0.00 175.17 176.98 2c1e n GLY 171 N 0.30 -2.10 2.95 0.00 0.00 -1.26 -4.97 105.19 100.10 2c1e n GLY 171 Ca 0.02 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 2c1e n GLY 171 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2c1e s ILE 172 N -2.37 -0.03 0.29 -0.61 2.07 -1.26 -5.14 121.20 114.15 2c1e s ILE 172 Ca 0.00 0.10 -0.29 0.00 -1.41 0.00 0.00 60.65 59.05 2c1e s ILE 172 Cb 0.00 -0.21 -0.10 0.00 0.13 0.00 0.00 42.46 42.28 2c1e s ILE 172 CO 0.00 0.04 1.43 -0.70 -1.91 0.00 0.00 174.94 173.80 2c1e s GLU 173 N 0.68 4.26 0.47 3.50 2.56 -1.26 -5.03 118.70 123.88 2c1e s GLU 173 Ca -0.05 2.34 0.02 0.00 0.00 0.00 0.00 54.97 57.28 2c1e s GLU 173 Cb -0.07 -3.08 -0.02 0.00 2.00 0.00 0.00 34.13 32.96 2c1e s GLU 173 CO -0.03 -0.40 0.03 0.95 -0.56 0.00 0.00 175.26 175.25 2c1e s THR 174 N -0.39 1.16 0.00 -1.70 -4.23 -1.26 -5.35 115.64 103.86 2c1e s THR 174 Ca 0.57 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 2c1e s THR 174 Cb -0.42 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.10 2c1e s THR 174 CO 0.48 0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.66