#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2d n ASP 2 N 0.00 0.00 -0.34 0.00 9.92 -1.26 -4.47 116.55 120.40 1a2d n ASP 2 Ca 0.00 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.39 1a2d n ASP 2 Cb 0.00 -0.56 0.40 0.00 -0.64 0.00 0.00 41.12 40.31 1a2d n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a2d n ALA 3 N 0.91 2.93 -0.01 2.24 0.00 -1.26 -3.85 120.51 121.48 1a2d n ALA 3 Ca 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 53.44 53.03 1a2d n ALA 3 Cb 0.00 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 1a2d n ALA 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1a2d n PHE 4 N -0.34 0.00 -1.68 0.00 3.72 -1.26 -5.00 117.46 112.90 1a2d n PHE 4 Ca 0.14 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.11 1a2d n PHE 4 Cb 0.36 -0.17 -0.02 0.00 -0.94 0.00 0.00 39.48 38.72 1a2d n PHE 4 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1a2d n VAL 5 N -1.80 1.57 0.00 -4.37 0.24 -1.25 -4.60 118.33 108.11 1a2d n VAL 5 Ca -0.03 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 1a2d n VAL 5 Cb 0.25 -1.50 0.00 0.00 -1.47 0.00 0.00 33.84 31.13 1a2d n VAL 5 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a2d n GLY 6 N 1.37 0.73 3.50 7.63 0.00 -0.31 -4.97 105.19 113.15 1a2d n GLY 6 Ca 0.08 -2.11 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 1a2d n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a2d s THR 7 N -1.05 3.77 -0.03 2.61 2.01 -1.26 -1.96 115.64 119.74 1a2d s THR 7 Ca 0.00 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 61.65 1a2d s THR 7 Cb 0.00 -2.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.87 1a2d s THR 7 CO 0.00 0.51 -0.20 0.26 -0.69 0.00 0.00 174.62 174.51 1a2d s TRP 8 N 0.20 1.87 0.02 4.92 0.52 -0.54 0.06 118.94 126.00 1a2d s TRP 8 Ca -0.03 -0.46 0.01 0.00 0.02 0.00 0.00 56.10 55.64 1a2d s TRP 8 Cb -0.14 -1.23 -0.04 0.00 -1.15 0.00 0.00 33.47 30.91 1a2d s TRP 8 CO 0.03 -0.12 0.05 0.15 0.02 0.00 0.00 176.95 177.09 1a2d s LYS 9 N -0.21 2.90 0.01 4.98 1.02 0.86 -1.22 119.74 128.08 1a2d s LYS 9 Ca 0.01 -0.60 -0.30 0.00 0.02 0.00 0.00 55.97 55.10 1a2d s LYS 9 Cb -0.10 -2.75 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 1a2d s LYS 9 CO 0.01 0.61 1.01 -1.17 -0.92 0.00 0.00 175.35 174.89 1a2d s LEU 10 N -1.88 4.37 0.00 3.17 2.96 -1.15 -1.07 118.68 125.07 1a2d s LEU 10 Ca 0.24 1.70 0.01 0.00 -0.22 0.00 0.00 54.13 55.86 1a2d s LEU 10 Cb -0.12 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 1a2d s LEU 10 CO 0.15 -0.29 0.16 1.33 -1.32 0.00 0.00 176.35 176.39 1a2d n VAL 11 N 3.91 0.00 -3.54 1.68 0.24 -0.62 -4.95 118.33 115.04 1a2d n VAL 11 Ca 0.06 -0.48 -0.09 0.00 -2.04 0.00 0.00 64.34 61.80 1a2d n VAL 11 Cb 0.50 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.85 1a2d n VAL 11 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1a2d s SER 12 N -0.88 -0.35 -0.10 -1.34 1.04 -1.21 -4.99 113.70 105.87 1a2d s SER 12 Ca 0.01 0.18 -0.10 0.00 0.48 0.00 0.00 55.95 56.51 1a2d s SER 12 Cb 0.01 0.33 0.03 0.00 0.10 0.00 0.00 66.02 66.48 1a2d s SER 12 CO 0.04 -0.46 0.29 -0.55 0.98 0.00 0.00 173.24 173.54 1a2d s SER 13 N -1.84 -0.29 -0.04 7.02 0.15 -1.26 -2.22 113.70 115.22 1a2d s SER 13 Ca 0.02 0.54 -0.01 0.00 0.70 0.00 0.00 55.95 57.21 1a2d s SER 13 Cb -0.01 0.57 0.03 0.00 -1.71 0.00 0.00 66.02 64.91 1a2d s SER 13 CO -0.04 -0.13 0.08 -1.61 1.20 0.00 0.00 173.24 172.74 1a2d s GLU 14 N 0.03 0.01 -1.79 5.44 2.02 0.19 -4.85 118.70 119.75 1a2d s GLU 14 Ca -0.01 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.25 1a2d s GLU 14 Cb -0.02 -0.24 0.00 0.00 0.10 0.00 0.00 34.13 33.97 1a2d s GLU 14 CO 0.01 -0.18 0.00 0.09 0.02 0.00 0.00 175.26 175.20 1a2d n ASN 15 N 4.29 -5.49 -0.04 -0.19 4.13 -1.26 0.35 115.26 117.05 1a2d n ASN 15 Ca -0.25 0.15 -0.15 0.00 1.68 0.00 0.00 54.58 56.00 1a2d n ASN 15 Cb 0.51 -4.59 -0.08 0.00 -1.54 0.00 0.00 39.78 34.07 1a2d n ASN 15 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1a2d h PHE 16 N 0.00 0.57 0.00 3.10 3.57 -1.89 -0.30 116.94 121.99 1a2d h PHE 16 Ca -0.44 -0.24 -0.07 0.00 3.53 0.00 0.00 57.97 60.76 1a2d h PHE 16 Cb 1.32 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 1a2d h PHE 16 CO 0.53 0.98 -0.33 0.22 -2.23 0.00 0.00 178.31 177.47 1a2d h ASP 17 N 0.01 0.00 0.18 0.41 1.82 -1.90 -0.03 116.42 116.90 1a2d h ASP 17 Ca -0.02 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.40 1a2d h ASP 17 Cb 0.99 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.01 1a2d h ASP 17 CO 0.08 0.33 -0.90 -0.78 -1.61 0.00 0.00 179.24 176.36 1a2d h ASP 18 N 0.00 0.66 -0.04 2.28 3.58 -1.94 -3.13 116.42 117.84 1a2d h ASP 18 Ca -0.00 -0.50 -0.23 0.00 0.42 0.00 0.00 57.03 56.72 1a2d h ASP 18 Cb 0.59 -0.20 0.01 0.00 1.72 0.00 0.00 39.33 41.45 1a2d h ASP 18 CO 0.04 1.29 -0.86 0.22 -2.88 0.00 0.00 179.24 177.04 1a2d h TYR 19 N 0.32 0.99 -0.70 0.28 3.20 -0.62 -3.29 116.97 117.15 1a2d h TYR 19 Ca -0.08 -0.47 -0.06 0.00 3.14 0.00 0.00 58.73 61.26 1a2d h TYR 19 Cb 1.53 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.63 1a2d h TYR 19 CO 0.07 1.30 0.19 0.52 -1.64 0.00 0.00 178.16 178.60 1a2d h MET 20 N 0.46 1.10 0.00 1.82 2.86 -1.07 -2.44 114.93 117.65 1a2d h MET 20 Ca -0.08 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.27 1a2d h MET 20 Cb 1.50 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.99 1a2d h MET 20 CO 0.17 0.95 -0.25 1.57 1.06 0.00 0.00 176.91 180.41 1a2d h LYS 21 N 1.05 0.00 -0.21 1.72 2.10 -1.64 -0.84 116.57 118.76 1a2d h LYS 21 Ca 0.22 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.72 1a2d h LYS 21 Cb 0.33 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1a2d h LYS 21 CO -0.00 0.25 -0.52 0.93 -2.00 0.00 0.00 179.45 178.10 1a2d h GLU 22 N 0.00 0.59 -0.22 0.07 4.39 -1.52 -1.91 114.58 115.99 1a2d h GLU 22 Ca -0.00 -0.36 -0.06 0.00 0.34 0.00 0.00 59.36 59.27 1a2d h GLU 22 Cb 0.48 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1a2d h GLU 22 CO 0.03 0.97 -0.14 0.28 -1.16 0.00 0.00 179.01 178.99 1a2d h VAL 23 N 0.46 1.21 0.00 3.13 2.07 -0.98 -3.47 116.25 118.67 1a2d h VAL 23 Ca 0.01 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1a2d h VAL 23 Cb 1.07 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1a2d h VAL 23 CO 0.10 0.30 0.00 0.61 0.02 0.00 0.00 177.57 178.60 1a2d n GLY 24 N -0.73 1.46 3.76 2.17 0.00 -0.40 -5.12 105.19 106.34 1a2d n GLY 24 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1a2d n GLY 24 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a2d s VAL 25 N -2.00 2.89 0.26 1.61 -7.23 -0.73 -4.98 120.40 110.22 1a2d s VAL 25 Ca 0.00 0.55 -0.30 0.00 -1.81 0.00 0.00 61.98 60.42 1a2d s VAL 25 Cb 0.00 -3.21 -0.09 0.00 0.56 0.00 0.00 36.38 33.64 1a2d s VAL 25 CO 0.00 -0.13 1.07 -0.83 -0.31 0.00 0.00 175.10 174.91 1a2d s GLY 26 N -1.72 3.04 0.22 2.32 0.00 -1.26 -4.64 107.32 105.29 1a2d s GLY 26 Ca 0.75 0.84 -0.09 0.00 0.00 0.00 0.00 44.72 46.22 1a2d s GLY 26 CO 0.31 1.47 1.30 0.33 0.00 0.00 0.00 173.10 176.51 1a2d n PHE 27 N 1.42 0.22 0.32 1.90 -0.00 -1.26 0.32 117.46 120.37 1a2d n PHE 27 Ca -0.01 1.02 -0.17 0.00 -0.00 0.00 0.00 57.45 58.29 1a2d n PHE 27 Cb 0.45 -0.93 -0.09 0.00 -0.00 0.00 0.00 39.48 38.91 1a2d n PHE 27 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1a2d h ALA 28 N 1.52 -0.93 0.00 3.13 0.00 -2.01 -2.47 119.26 118.50 1a2d h ALA 28 Ca 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1a2d h ALA 28 Cb 0.58 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1a2d h ALA 28 CO -0.85 -1.05 -0.03 1.79 0.00 0.00 0.00 179.25 179.11 1a2d h THR 29 N -0.90 0.08 0.00 0.00 1.35 -1.50 -2.95 112.91 108.99 1a2d h THR 29 Ca -0.06 -0.65 -0.12 0.00 -0.55 0.00 0.00 66.41 65.03 1a2d h THR 29 Cb 0.75 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 1a2d h THR 29 CO 0.04 0.03 -0.56 -0.09 -0.25 0.00 0.00 175.52 174.70 1a2d h ARG 30 N 0.00 0.00 0.04 4.72 2.43 0.04 -2.87 114.38 118.75 1a2d h ARG 30 Ca -0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 1a2d h ARG 30 Cb 0.60 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1a2d h ARG 30 CO 0.00 0.56 -0.74 -0.22 -1.51 0.00 0.00 179.97 178.06 1a2d h LYS 31 N 0.00 0.43 0.00 0.20 1.63 -1.27 -3.07 116.57 114.49 1a2d h LYS 31 Ca -0.01 -0.52 -0.08 0.00 -0.85 0.00 0.00 60.65 59.19 1a2d h LYS 31 Cb 1.18 0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.96 1a2d h LYS 31 CO 0.07 1.18 -0.39 -0.24 -3.45 0.00 0.00 179.45 176.62 1a2d h VAL 32 N -0.10 1.27 0.35 2.00 3.04 -1.60 -2.90 116.25 118.32 1a2d h VAL 32 Ca -0.11 -1.34 -0.02 0.00 -1.01 0.00 0.00 66.70 64.22 1a2d h VAL 32 Cb 1.48 1.73 0.00 0.00 -2.01 0.00 0.00 31.29 32.49 1a2d h VAL 32 CO 0.14 0.38 -0.17 0.00 -1.01 0.00 0.00 177.57 176.92 1a2d h ALA 33 N 1.61 -0.48 0.00 3.17 0.00 -1.57 -3.03 119.26 118.96 1a2d h ALA 33 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1a2d h ALA 33 Cb 0.70 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1a2d h ALA 33 CO 0.05 -0.55 0.00 0.41 0.00 0.00 0.00 179.25 179.16 1a2d n GLY 34 N -0.06 -0.77 0.00 0.00 0.00 -1.16 -0.44 105.19 102.76 1a2d n GLY 34 Ca -0.09 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1a2d n GLY 34 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a2d n MET 35 N -1.91 0.01 -3.44 1.61 0.00 -1.10 -4.90 117.12 107.39 1a2d n MET 35 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.35 1a2d n MET 35 Cb 0.05 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 31.71 1a2d n MET 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1a2d s ALA 36 N -3.01 3.63 -0.70 -5.12 0.00 0.42 -5.04 121.76 111.94 1a2d s ALA 36 Ca 0.11 -0.23 0.04 0.00 0.00 0.00 0.00 51.96 51.88 1a2d s ALA 36 Cb 0.17 -2.43 0.17 0.00 0.00 0.00 0.00 23.12 21.04 1a2d s ALA 36 CO 0.72 0.50 0.50 0.15 0.00 0.00 0.00 175.76 177.62 1a2d s LYS 37 N -1.94 2.50 0.81 0.00 3.01 -1.26 -5.03 119.74 117.83 1a2d s LYS 37 Ca 0.36 -3.25 -0.11 0.00 -1.01 0.00 0.00 55.97 51.96 1a2d s LYS 37 Cb -0.15 -3.47 0.08 0.00 -1.01 0.00 0.00 37.83 33.28 1a2d s LYS 37 CO 0.19 -1.26 1.12 -1.25 0.51 0.00 0.00 175.35 174.66 1a2d s PRO 38 N -1.29 1.85 -0.24 -1.68 0.04 -1.26 -4.75 135.00 127.66 1a2d s PRO 38 Ca 0.24 1.37 -0.00 0.00 0.04 0.00 0.00 61.00 62.64 1a2d s PRO 38 Cb -0.08 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.66 1a2d s PRO 38 CO -0.14 -1.98 -0.09 -0.80 0.04 0.00 0.00 177.00 174.03 1a2d s ASN 39 N -2.98 4.21 -0.40 6.66 0.02 -0.01 -2.94 114.94 119.51 1a2d s ASN 39 Ca 0.65 -0.99 -0.19 0.00 -1.02 0.00 0.00 52.86 51.31 1a2d s ASN 39 Cb -0.20 -1.62 0.01 0.00 0.02 0.00 0.00 41.25 39.46 1a2d s ASN 39 CO 0.55 -0.13 0.56 -0.32 0.02 0.00 0.00 177.10 177.77 1a2d s MET 40 N 1.27 3.40 -0.16 -0.60 -2.45 -0.36 -1.27 119.30 119.12 1a2d s MET 40 Ca -0.02 -0.34 -0.08 0.00 -1.25 0.00 0.00 55.69 54.01 1a2d s MET 40 Cb -0.17 -3.89 -0.04 0.00 1.25 0.00 0.00 34.83 31.97 1a2d s MET 40 CO -0.06 -0.83 0.10 0.42 1.05 0.00 0.00 175.02 175.71 1a2d s ILE 41 N 2.53 5.16 -0.06 10.11 1.09 0.70 -1.46 121.20 139.26 1a2d s ILE 41 Ca 0.19 0.09 0.02 0.00 -1.10 0.00 0.00 60.65 59.85 1a2d s ILE 41 Cb -0.15 -3.30 0.02 0.00 -1.06 0.00 0.00 42.46 37.96 1a2d s ILE 41 CO 0.16 0.51 -0.09 -0.63 -0.10 0.00 0.00 174.94 174.78 1a2d s ILE 42 N -0.10 0.93 0.17 2.92 1.01 -0.83 0.00 121.20 125.30 1a2d s ILE 42 Ca 0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 1a2d s ILE 42 Cb -0.12 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 1a2d s ILE 42 CO 0.01 0.31 0.15 -0.94 0.00 0.00 0.00 174.94 174.47 1a2d s SER 43 N 0.80 0.17 -0.01 3.58 1.04 -0.11 -1.16 113.70 118.02 1a2d s SER 43 Ca -0.12 -1.21 0.02 0.00 0.48 0.00 0.00 55.95 55.11 1a2d s SER 43 Cb -0.15 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1a2d s SER 43 CO 0.02 -0.83 -0.06 -0.69 0.98 0.00 0.00 173.24 172.66 1a2d s VAL 44 N -4.08 0.54 -0.40 5.02 1.01 -1.26 -1.07 120.40 120.16 1a2d s VAL 44 Ca 0.29 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1a2d s VAL 44 Cb 0.06 -0.48 0.16 0.00 0.00 0.00 0.00 36.38 36.12 1a2d s VAL 44 CO 0.06 0.17 0.33 0.21 0.00 0.00 0.00 175.10 175.87 1a2d s ASN 45 N 0.07 1.64 0.52 3.32 3.84 -0.48 -5.02 114.94 118.82 1a2d s ASN 45 Ca -0.01 -2.59 0.00 0.00 0.21 0.00 0.00 52.86 50.47 1a2d s ASN 45 Cb -0.05 -0.17 0.00 0.00 -0.55 0.00 0.00 41.25 40.47 1a2d s ASN 45 CO -0.00 -0.21 0.00 0.61 -2.79 0.00 0.00 177.10 174.71 1a2d n GLY 46 N 3.32 0.42 0.24 1.21 0.00 -1.26 -3.13 105.19 105.99 1a2d n GLY 46 Ca 0.22 -0.90 0.14 0.00 0.00 0.00 0.00 46.02 45.48 1a2d n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a2d n ASP 47 N 4.91 0.87 -4.78 1.61 5.75 -1.26 -4.84 116.55 118.81 1a2d n ASP 47 Ca 0.00 -0.96 -0.37 0.00 -0.01 0.00 0.00 54.79 53.45 1a2d n ASP 47 Cb 0.00 0.02 -0.06 0.00 -1.03 0.00 0.00 41.12 40.04 1a2d n ASP 47 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1a2d s LEU 48 N -2.31 4.35 -0.06 -2.12 2.96 -1.18 -4.49 118.68 115.82 1a2d s LEU 48 Ca 0.32 0.69 0.05 0.00 -0.22 0.00 0.00 54.13 54.97 1a2d s LEU 48 Cb 0.20 -2.44 -0.01 0.00 0.50 0.00 0.00 46.19 44.44 1a2d s LEU 48 CO 0.44 0.21 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.77 1a2d s VAL 49 N -0.24 1.82 -0.15 1.68 1.01 0.16 -1.39 120.40 123.29 1a2d s VAL 49 Ca 0.20 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1a2d s VAL 49 Cb -0.14 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.70 1a2d s VAL 49 CO 0.08 0.51 -0.19 -0.89 0.00 0.00 0.00 175.10 174.61 1a2d s THR 50 N 0.04 1.91 -0.21 3.92 2.01 -0.23 -0.23 115.64 122.85 1a2d s THR 50 Ca -0.07 -0.87 -0.03 0.00 0.31 0.00 0.00 61.69 61.03 1a2d s THR 50 Cb -0.14 -1.72 -0.01 0.00 0.01 0.00 0.00 72.50 70.64 1a2d s THR 50 CO 0.04 0.52 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.79 1a2d s ILE 51 N 1.12 3.19 0.08 1.82 1.01 -0.43 -0.93 121.20 127.06 1a2d s ILE 51 Ca -0.01 -0.56 0.09 0.00 0.00 0.00 0.00 60.65 60.18 1a2d s ILE 51 Cb -0.14 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 1a2d s ILE 51 CO -0.07 0.44 -0.25 -0.60 0.00 0.00 0.00 174.94 174.46 1a2d s ARG 52 N 1.38 1.52 -0.11 2.79 3.52 0.10 -1.30 118.95 126.85 1a2d s ARG 52 Ca 0.05 -1.17 0.00 0.00 -0.13 0.00 0.00 55.73 54.48 1a2d s ARG 52 Cb -0.14 -1.81 0.02 0.00 -1.56 0.00 0.00 34.95 31.46 1a2d s ARG 52 CO -0.04 0.45 -0.10 0.45 -0.81 0.00 0.00 175.30 175.25 1a2d s SER 53 N -1.58 2.22 -0.15 -2.12 0.15 -0.07 -0.22 113.70 111.94 1a2d s SER 53 Ca 0.11 -0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.44 1a2d s SER 53 Cb -0.10 -0.91 0.01 0.00 -1.71 0.00 0.00 66.02 63.32 1a2d s SER 53 CO 0.04 -0.08 -0.21 -1.61 1.20 0.00 0.00 173.24 172.58 1a2d s GLU 54 N 1.48 2.90 0.30 5.44 2.02 -0.40 -2.30 118.70 128.15 1a2d s GLU 54 Ca 0.02 -0.81 -0.15 0.00 0.02 0.00 0.00 54.97 54.05 1a2d s GLU 54 Cb -0.13 -2.39 0.02 0.00 0.10 0.00 0.00 34.13 31.72 1a2d s GLU 54 CO -0.07 -0.07 0.64 -1.54 0.02 0.00 0.00 175.26 174.24 1a2d s SER 55 N 0.97 -0.02 0.60 -0.19 1.04 -1.26 -0.83 113.70 114.01 1a2d s SER 55 Ca -0.04 -0.93 0.29 0.00 0.48 0.00 0.00 55.95 55.76 1a2d s SER 55 Cb -0.15 0.71 1.64 0.00 0.10 0.00 0.00 66.02 68.32 1a2d s SER 55 CO -0.05 -1.37 2.05 0.71 0.98 0.00 0.00 173.24 175.57 1a2d h THR 56 N 2.08 0.40 -3.49 2.02 1.35 -1.97 -3.39 112.91 109.92 1a2d h THR 56 Ca -0.25 0.00 -0.57 0.00 -0.55 0.00 0.00 66.41 65.04 1a2d h THR 56 Cb 1.25 0.78 -0.33 0.00 -1.73 0.00 0.00 68.15 68.12 1a2d h THR 56 CO 0.33 0.00 -0.84 0.12 -0.25 0.00 0.00 175.52 174.88 1a2d s PHE 57 N -4.58 1.82 0.09 4.73 2.19 -1.26 -5.06 117.98 115.91 1a2d s PHE 57 Ca -0.04 -0.67 0.00 0.00 0.33 0.00 0.00 56.93 56.54 1a2d s PHE 57 Cb 0.15 -1.27 0.00 0.00 -1.31 0.00 0.00 43.02 40.59 1a2d s PHE 57 CO 0.52 -0.30 0.00 1.63 1.83 0.00 0.00 175.22 178.91 1a2d n LYS 58 N 3.60 -1.30 -4.95 10.12 4.76 -1.26 -4.99 118.16 124.13 1a2d n LYS 58 Ca -0.21 0.94 -0.33 0.00 -2.87 0.00 0.00 58.31 55.84 1a2d n LYS 58 Cb 0.52 -1.41 -0.15 0.00 -1.84 0.00 0.00 35.03 32.15 1a2d n LYS 58 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1a2d s ASN 59 N -1.07 3.61 0.03 4.39 0.02 -1.26 -4.28 114.94 116.38 1a2d s ASN 59 Ca 0.00 -0.43 0.07 0.00 -1.02 0.00 0.00 52.86 51.48 1a2d s ASN 59 Cb 0.00 -1.53 -0.02 0.00 0.02 0.00 0.00 41.25 39.72 1a2d s ASN 59 CO 0.00 0.16 -0.20 0.42 0.02 0.00 0.00 177.10 177.50 1a2d s THR 60 N 0.37 1.59 -0.36 1.60 -4.23 -0.97 -5.00 115.64 108.64 1a2d s THR 60 Ca -0.14 -1.10 -0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1a2d s THR 60 Cb -0.17 -1.37 0.12 0.00 1.34 0.00 0.00 72.50 72.42 1a2d s THR 60 CO 0.07 0.24 0.18 -0.70 -0.54 0.00 0.00 174.62 173.86 1a2d s GLU 61 N -1.02 0.77 -0.38 3.99 2.12 -1.26 -0.89 118.70 122.03 1a2d s GLU 61 Ca 0.07 -1.35 -0.17 0.00 0.36 0.00 0.00 54.97 53.88 1a2d s GLU 61 Cb -0.08 -1.79 0.00 0.00 0.26 0.00 0.00 34.13 32.52 1a2d s GLU 61 CO 0.01 -1.11 0.44 0.42 -0.54 0.00 0.00 175.26 174.49 1a2d s ILE 62 N 1.15 5.08 -0.14 -3.70 1.09 -0.42 -4.97 121.20 119.29 1a2d s ILE 62 Ca 0.14 -0.03 -0.07 0.00 -1.10 0.00 0.00 60.65 59.59 1a2d s ILE 62 Cb -0.21 -3.96 -0.04 0.00 -1.06 0.00 0.00 42.46 37.19 1a2d s ILE 62 CO -0.12 -0.27 0.09 -0.44 -0.10 0.00 0.00 174.94 174.10 1a2d s SER 63 N 1.78 5.92 0.30 3.58 0.01 -1.26 -1.32 113.70 122.72 1a2d s SER 63 Ca 0.14 0.26 -0.19 0.00 1.31 0.00 0.00 55.95 57.47 1a2d s SER 63 Cb -0.16 -1.92 0.03 0.00 0.21 0.00 0.00 66.02 64.17 1a2d s SER 63 CO 0.13 0.30 0.71 0.72 0.41 0.00 0.00 173.24 175.51 1a2d s PHE 64 N -0.41 -0.04 0.09 2.43 -0.71 0.68 -4.97 117.98 115.06 1a2d s PHE 64 Ca 0.10 -0.46 0.10 0.00 -1.04 0.00 0.00 56.93 55.63 1a2d s PHE 64 Cb -0.12 0.67 -0.03 0.00 -1.21 0.00 0.00 43.02 42.33 1a2d s PHE 64 CO 0.02 -1.29 -0.26 0.15 -1.34 0.00 0.00 175.22 172.50 1a2d s LYS 65 N -3.54 1.62 0.27 1.99 1.02 -1.26 0.38 119.74 120.22 1a2d s LYS 65 Ca 0.14 -1.22 -0.30 0.00 0.02 0.00 0.00 55.97 54.60 1a2d s LYS 65 Cb -0.05 -1.96 -0.11 0.00 -0.52 0.00 0.00 37.83 35.20 1a2d s LYS 65 CO 0.09 0.48 1.49 -0.51 -0.92 0.00 0.00 175.35 175.98 1a2d s LEU 66 N -1.68 4.37 0.00 3.17 1.02 -1.26 -2.99 118.68 121.30 1a2d s LEU 66 Ca 0.13 2.78 0.00 0.00 0.02 0.00 0.00 54.13 57.06 1a2d s LEU 66 Cb -0.10 -3.63 0.00 0.00 0.02 0.00 0.00 46.19 42.48 1a2d s LEU 66 CO 0.04 -0.77 0.00 0.61 0.02 0.00 0.00 176.35 176.25 1a2d n GLY 67 N 2.06 1.41 3.40 -3.19 0.00 0.83 -4.97 105.19 104.73 1a2d n GLY 67 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1a2d n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a2d s VAL 68 N -2.37 4.44 0.19 1.61 1.01 -1.16 -4.96 120.40 119.16 1a2d s VAL 68 Ca 0.00 -0.58 -0.32 0.00 0.00 0.00 0.00 61.98 61.08 1a2d s VAL 68 Cb 0.00 -3.31 -0.15 0.00 0.00 0.00 0.00 36.38 32.91 1a2d s VAL 68 CO 0.00 0.01 1.20 1.21 0.00 0.00 0.00 175.10 177.52 1a2d n GLU 69 N 4.96 1.32 -3.97 2.72 2.13 -1.26 -4.61 120.64 121.92 1a2d n GLU 69 Ca -0.14 0.47 -0.09 0.00 0.66 0.00 0.00 57.16 58.07 1a2d n GLU 69 Cb 0.48 -1.99 -0.09 0.00 0.27 0.00 0.00 31.44 30.11 1a2d n GLU 69 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1a2d s PHE 70 N -0.20 0.29 -0.06 4.31 -0.71 0.18 -5.02 117.98 116.78 1a2d s PHE 70 Ca 0.72 -0.68 -0.24 0.00 -1.04 0.00 0.00 56.93 55.69 1a2d s PHE 70 Cb -0.81 -0.21 -0.04 0.00 -1.21 0.00 0.00 43.02 40.75 1a2d s PHE 70 CO 0.52 -0.38 0.71 -0.51 -1.34 0.00 0.00 175.22 174.22 1a2d s ASP 71 N -2.41 7.00 -0.01 1.98 1.01 -1.26 -0.99 116.67 122.00 1a2d s ASP 71 Ca -0.01 1.20 0.02 0.00 0.71 0.00 0.00 52.55 54.47 1a2d s ASP 71 Cb 0.02 -2.42 -0.00 0.00 1.01 0.00 0.00 42.92 41.53 1a2d s ASP 71 CO -0.07 -0.11 -0.06 -0.70 0.21 0.00 0.00 175.17 174.44 1a2d s GLU 72 N 0.76 0.50 -0.42 8.23 2.12 -0.85 -4.95 118.70 124.10 1a2d s GLU 72 Ca 0.38 -0.22 -0.08 0.00 0.36 0.00 0.00 54.97 55.41 1a2d s GLU 72 Cb -0.18 -0.48 0.08 0.00 0.26 0.00 0.00 34.13 33.81 1a2d s GLU 72 CO 0.18 0.13 0.25 0.42 -0.54 0.00 0.00 175.26 175.70 1a2d s ILE 73 N -0.13 4.09 1.01 -3.70 -1.09 -1.26 -1.20 121.20 118.93 1a2d s ILE 73 Ca 0.02 -1.48 -0.12 0.00 -2.23 0.00 0.00 60.65 56.84 1a2d s ILE 73 Cb -0.02 -3.54 0.20 0.00 -1.58 0.00 0.00 42.46 37.52 1a2d s ILE 73 CO -0.00 -0.52 1.08 0.42 -1.23 0.00 0.00 174.94 174.68 1a2d s THR 74 N 1.39 2.23 0.32 2.92 -4.23 -0.77 -4.85 115.64 112.65 1a2d s THR 74 Ca 0.03 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 1a2d s THR 74 Cb -0.23 -2.28 0.27 0.00 1.34 0.00 0.00 72.50 71.60 1a2d s THR 74 CO 0.01 -0.10 1.97 0.00 -0.54 0.00 0.00 174.62 175.96 1a2d h ALA 75 N -2.08 1.48 -0.08 3.99 0.00 -1.97 0.17 119.26 120.77 1a2d h ALA 75 Ca -0.53 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1a2d h ALA 75 Cb 1.30 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1a2d h ALA 75 CO 0.50 0.46 0.00 -0.40 0.00 0.00 0.00 179.25 179.81 1a2d n ASP 76 N -4.43 0.91 -3.09 0.00 5.75 -1.26 -4.90 116.55 109.53 1a2d n ASP 76 Ca 0.09 -2.04 -0.14 0.00 -0.01 0.00 0.00 54.79 52.69 1a2d n ASP 76 Cb 0.07 -0.24 0.07 0.00 -1.03 0.00 0.00 41.12 39.98 1a2d n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1a2d n ASP 77 N -0.12 -4.83 -4.53 -1.12 8.00 0.05 -5.05 116.55 108.95 1a2d n ASP 77 Ca 0.03 -0.61 -0.33 0.00 0.71 0.00 0.00 54.79 54.60 1a2d n ASP 77 Cb 0.19 -4.67 -0.12 0.00 -0.02 0.00 0.00 41.12 36.50 1a2d n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1a2d s ARG 78 N -4.55 2.54 -0.66 -1.24 0.52 -1.25 -4.90 118.95 109.41 1a2d s ARG 78 Ca 0.28 -0.69 -0.18 0.00 -0.52 0.00 0.00 55.73 54.62 1a2d s ARG 78 Cb -0.04 -2.45 0.12 0.00 0.52 0.00 0.00 34.95 33.11 1a2d s ARG 78 CO 0.65 0.62 0.77 0.21 0.02 0.00 0.00 175.30 177.57 1a2d s LYS 79 N -0.98 3.18 0.34 3.54 2.20 -1.26 -1.84 119.74 124.91 1a2d s LYS 79 Ca 0.13 -1.50 0.08 0.00 -0.36 0.00 0.00 55.97 54.32 1a2d s LYS 79 Cb -0.11 -4.37 -0.03 0.00 -1.51 0.00 0.00 37.83 31.82 1a2d s LYS 79 CO 0.03 -1.55 0.26 0.14 -0.36 0.00 0.00 175.35 173.87 1a2d s VAL 80 N 2.41 3.39 -0.35 4.02 -7.23 -0.34 -4.84 120.40 117.46 1a2d s VAL 80 Ca 0.15 -1.44 0.02 0.00 -1.81 0.00 0.00 61.98 58.90 1a2d s VAL 80 Cb -0.20 -3.13 0.10 0.00 0.56 0.00 0.00 36.38 33.70 1a2d s VAL 80 CO 0.03 -0.17 0.09 -0.75 -0.31 0.00 0.00 175.10 173.98 1a2d s LYS 81 N -3.97 1.72 0.36 4.82 2.47 -0.27 -2.01 119.74 122.86 1a2d s LYS 81 Ca 0.40 -1.81 0.03 0.00 -1.56 0.00 0.00 55.97 53.03 1a2d s LYS 81 Cb -0.05 -3.31 -0.02 0.00 -1.46 0.00 0.00 37.83 33.00 1a2d s LYS 81 CO 0.26 -0.95 0.53 -1.12 0.16 0.00 0.00 175.35 174.24 1a2d s SER 82 N 1.21 6.09 -0.30 1.43 0.01 -0.16 -1.81 113.70 120.18 1a2d s SER 82 Ca 0.08 0.19 -0.12 0.00 1.31 0.00 0.00 55.95 57.42 1a2d s SER 82 Cb -0.20 -1.68 0.12 0.00 0.21 0.00 0.00 66.02 64.47 1a2d s SER 82 CO -0.06 -0.41 0.71 -0.51 0.41 0.00 0.00 173.24 173.38 1a2d s ILE 83 N -2.30 -0.69 -0.04 1.44 -1.16 -1.08 -0.65 121.20 116.72 1a2d s ILE 83 Ca 0.42 0.00 0.04 0.00 -0.51 0.00 0.00 60.65 60.61 1a2d s ILE 83 Cb -0.10 -1.00 -0.03 0.00 0.61 0.00 0.00 42.46 41.95 1a2d s ILE 83 CO 0.34 0.00 -0.15 -0.63 -2.81 0.00 0.00 174.94 171.69 1a2d s ILE 84 N 2.52 3.00 0.07 2.00 1.01 -1.26 -1.78 121.20 126.77 1a2d s ILE 84 Ca -0.07 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.81 1a2d s ILE 84 Cb -0.10 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1a2d s ILE 84 CO -0.19 0.57 -0.05 0.42 0.00 0.00 0.00 174.94 175.69 1a2d s THR 85 N -0.74 0.45 -0.75 2.92 -4.23 -0.52 -0.12 115.64 112.65 1a2d s THR 85 Ca 0.12 -1.86 -0.17 0.00 -1.18 0.00 0.00 61.69 58.60 1a2d s THR 85 Cb -0.11 -1.58 0.16 0.00 1.34 0.00 0.00 72.50 72.31 1a2d s THR 85 CO 0.01 -0.93 0.80 -0.22 -0.54 0.00 0.00 174.62 173.75 1a2d s LEU 86 N -2.96 5.91 -0.35 4.79 0.20 -1.26 -0.45 118.68 124.57 1a2d s LEU 86 Ca 0.09 -2.08 -0.05 0.00 0.69 0.00 0.00 54.13 52.78 1a2d s LEU 86 Cb 0.06 -2.28 0.06 0.00 -0.43 0.00 0.00 46.19 43.60 1a2d s LEU 86 CO -0.07 -0.88 0.11 -0.62 -0.29 0.00 0.00 176.35 174.60 1a2d s ASP 87 N 3.08 5.25 -1.29 3.68 2.15 0.93 -4.69 116.67 125.77 1a2d s ASP 87 Ca 0.18 -1.34 -0.04 0.00 0.43 0.00 0.00 52.55 51.78 1a2d s ASP 87 Cb -0.15 -1.84 0.01 0.00 -0.30 0.00 0.00 42.92 40.64 1a2d s ASP 87 CO -0.03 -0.37 0.98 0.61 -0.17 0.00 0.00 175.17 176.18 1a2d n GLY 88 N 4.75 -0.40 3.02 2.66 0.00 -1.26 -1.87 105.19 112.09 1a2d n GLY 88 Ca -0.11 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1a2d n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a2d n GLY 89 N -1.49 0.87 3.47 -0.02 0.00 -1.26 -5.01 105.19 101.74 1a2d n GLY 89 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1a2d n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a2d s ALA 90 N -3.56 2.63 -0.78 4.61 0.00 -0.78 -4.69 121.76 119.20 1a2d s ALA 90 Ca 0.00 -1.31 -0.21 0.00 0.00 0.00 0.00 51.96 50.45 1a2d s ALA 90 Cb 0.00 -0.66 0.10 0.00 0.00 0.00 0.00 23.12 22.56 1a2d s ALA 90 CO 0.00 0.58 1.02 -1.17 0.00 0.00 0.00 175.76 176.19 1a2d s LEU 91 N -1.90 4.74 -0.34 0.00 2.96 -0.53 -0.05 118.68 123.56 1a2d s LEU 91 Ca 0.17 -1.49 -0.17 0.00 -0.22 0.00 0.00 54.13 52.41 1a2d s LEU 91 Cb -0.10 -2.40 -0.01 0.00 0.50 0.00 0.00 46.19 44.17 1a2d s LEU 91 CO 0.08 -1.25 0.47 -0.69 -1.32 0.00 0.00 176.35 173.64 1a2d s VAL 92 N 3.37 5.06 -0.15 1.68 1.01 0.41 -1.65 120.40 130.13 1a2d s VAL 92 Ca 0.26 0.30 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 1a2d s VAL 92 Cb -0.12 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1a2d s VAL 92 CO 0.01 -0.16 0.03 -1.58 0.00 0.00 0.00 175.10 173.40 1a2d s GLN 93 N 2.28 3.64 -0.15 2.72 0.74 -0.54 -1.43 119.66 126.92 1a2d s GLN 93 Ca 0.17 -0.39 0.01 0.00 0.05 0.00 0.00 55.36 55.20 1a2d s GLN 93 Cb -0.16 -3.04 0.02 0.00 1.10 0.00 0.00 33.01 30.94 1a2d s GLN 93 CO 0.13 0.40 -0.15 0.08 -0.55 0.00 0.00 175.29 175.20 1a2d s VAL 94 N -0.02 1.60 -0.29 1.34 1.01 -0.73 -0.20 120.40 123.11 1a2d s VAL 94 Ca 0.04 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 1a2d s VAL 94 Cb -0.13 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1a2d s VAL 94 CO 0.02 0.46 0.09 -1.10 0.00 0.00 0.00 175.10 174.57 1a2d s GLN 95 N 1.41 3.23 -0.13 2.72 -0.21 0.12 -2.64 119.66 124.17 1a2d s GLN 95 Ca 0.04 -0.77 -0.04 0.00 0.02 0.00 0.00 55.36 54.60 1a2d s GLN 95 Cb -0.13 -3.41 -0.04 0.00 1.00 0.00 0.00 33.01 30.44 1a2d s GLN 95 CO -0.10 -0.40 0.03 0.15 -2.12 0.00 0.00 175.29 172.85 1a2d s LYS 96 N 1.54 3.42 -0.29 2.91 1.02 -0.75 -1.31 119.74 126.28 1a2d s LYS 96 Ca 0.04 -0.37 -0.20 0.00 0.02 0.00 0.00 55.97 55.46 1a2d s LYS 96 Cb -0.17 -2.98 0.14 0.00 -0.52 0.00 0.00 37.83 34.30 1a2d s LYS 96 CO 0.03 0.53 1.02 1.67 -0.92 0.00 0.00 175.35 177.68 1a2d s TRP 97 N -0.38 -0.51 -1.20 3.18 -2.14 -0.94 -1.12 118.94 115.83 1a2d s TRP 97 Ca 0.08 1.09 0.00 0.00 2.66 0.00 0.00 56.10 59.93 1a2d s TRP 97 Cb -0.12 0.35 0.00 0.00 -3.10 0.00 0.00 33.47 30.60 1a2d s TRP 97 CO 0.02 -0.25 0.00 -0.25 -2.66 0.00 0.00 176.95 173.81 1a2d n ASP 98 N 3.08 -4.24 0.00 -2.66 8.00 -1.26 -0.87 116.55 118.60 1a2d n ASP 98 Ca -0.16 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1a2d n ASP 98 Cb 0.57 -3.60 0.00 0.00 -0.02 0.00 0.00 41.12 38.07 1a2d n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a2d n GLY 99 N -0.81 2.66 3.64 0.44 0.00 -1.26 -5.02 105.19 104.84 1a2d n GLY 99 Ca -0.16 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 1a2d n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a2d s LYS 100 N 0.00 -0.66 -0.28 1.61 3.01 -0.05 -5.09 119.74 118.28 1a2d s LYS 100 Ca 0.00 0.03 -0.21 0.00 -1.01 0.00 0.00 55.97 54.79 1a2d s LYS 100 Cb 0.00 -1.65 0.12 0.00 -1.01 0.00 0.00 37.83 35.29 1a2d s LYS 100 CO 0.00 -3.36 0.94 0.45 0.51 0.00 0.00 175.35 173.89 1a2d s SER 101 N -3.89 -0.56 0.00 2.83 0.15 -1.26 -2.21 113.70 108.76 1a2d s SER 101 Ca 0.70 0.98 0.06 0.00 0.70 0.00 0.00 55.95 58.39 1a2d s SER 101 Cb -0.11 1.11 -0.02 0.00 -1.71 0.00 0.00 66.02 65.29 1a2d s SER 101 CO 0.56 -0.16 -0.18 0.28 1.20 0.00 0.00 173.24 174.94 1a2d s THR 102 N 0.82 1.42 -0.10 6.45 -1.32 -0.43 -4.65 115.64 117.84 1a2d s THR 102 Ca -0.03 -0.88 0.01 0.00 -1.21 0.00 0.00 61.69 59.58 1a2d s THR 102 Cb -0.05 -1.21 -0.02 0.00 -1.51 0.00 0.00 72.50 69.72 1a2d s THR 102 CO -0.10 0.31 -0.13 -0.89 -2.21 0.00 0.00 174.62 171.59 1a2d s THR 103 N -0.55 3.07 -0.28 5.08 2.01 -0.76 -0.70 115.64 123.51 1a2d s THR 103 Ca 0.06 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.40 1a2d s THR 103 Cb -0.07 -2.25 0.07 0.00 0.01 0.00 0.00 72.50 70.26 1a2d s THR 103 CO 0.00 0.55 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.83 1a2d s ILE 104 N -0.09 1.78 0.04 1.82 1.01 0.72 -0.49 121.20 125.99 1a2d s ILE 104 Ca -0.02 -1.62 -0.20 0.00 0.00 0.00 0.00 60.65 58.82 1a2d s ILE 104 Cb -0.14 -2.11 -0.06 0.00 0.01 0.00 0.00 42.46 40.16 1a2d s ILE 104 CO 0.04 -0.28 0.57 -0.54 0.00 0.00 0.00 174.94 174.73 1a2d s LYS 105 N 1.23 4.24 -0.40 2.79 1.02 0.10 -1.47 119.74 127.25 1a2d s LYS 105 Ca -0.00 0.72 0.02 0.00 0.02 0.00 0.00 55.97 56.73 1a2d s LYS 105 Cb -0.19 -3.28 0.12 0.00 -0.52 0.00 0.00 37.83 33.97 1a2d s LYS 105 CO -0.09 0.54 0.19 1.03 -0.92 0.00 0.00 175.35 176.10 1a2d s ARG 106 N -0.77 1.19 0.33 1.68 0.52 -0.66 -1.29 118.95 119.96 1a2d s ARG 106 Ca 0.29 -1.80 0.08 0.00 -0.52 0.00 0.00 55.73 53.79 1a2d s ARG 106 Cb -0.19 -2.36 -0.04 0.00 0.52 0.00 0.00 34.95 32.88 1a2d s ARG 106 CO 0.18 -1.10 0.11 -1.59 0.02 0.00 0.00 175.30 172.92 1a2d s LYS 107 N 0.67 2.33 0.11 3.54 -2.85 -0.52 -1.46 119.74 121.57 1a2d s LYS 107 Ca 0.15 -1.56 0.04 0.00 -1.00 0.00 0.00 55.97 53.60 1a2d s LYS 107 Cb -0.22 -2.14 -0.04 0.00 -2.06 0.00 0.00 37.83 33.36 1a2d s LYS 107 CO -0.06 0.13 0.06 1.03 0.10 0.00 0.00 175.35 176.61 1a2d s ARG 108 N -3.82 2.74 -0.39 1.78 1.81 -1.26 -0.62 118.95 119.20 1a2d s ARG 108 Ca 0.37 -0.81 0.05 0.00 -1.72 0.00 0.00 55.73 53.61 1a2d s ARG 108 Cb -0.02 -2.62 0.16 0.00 -0.45 0.00 0.00 34.95 32.02 1a2d s ARG 108 CO 0.22 0.53 0.46 0.34 -0.68 0.00 0.00 175.30 176.17 1a2d s ASP 109 N -2.58 0.31 1.44 0.23 2.15 -0.21 -4.86 116.67 113.14 1a2d s ASP 109 Ca 0.28 -1.37 0.00 0.00 0.43 0.00 0.00 52.55 51.89 1a2d s ASP 109 Cb -0.11 0.99 0.00 0.00 -0.30 0.00 0.00 42.92 43.50 1a2d s ASP 109 CO 0.21 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.59 1a2d n GLY 110 N 4.25 2.44 0.00 2.66 0.00 -1.26 -1.48 105.19 111.79 1a2d n GLY 110 Ca 0.12 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1a2d n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a2d n ASP 111 N 4.78 0.00 -4.97 1.61 5.75 -1.26 -4.85 116.55 117.61 1a2d n ASP 111 Ca 0.00 -0.12 -0.21 0.00 -0.01 0.00 0.00 54.79 54.44 1a2d n ASP 111 Cb 0.00 -0.27 -0.02 0.00 -1.03 0.00 0.00 41.12 39.80 1a2d n ASP 111 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1a2d s LYS 112 N -2.55 3.40 -0.25 0.11 -0.14 -0.55 -4.32 119.74 115.44 1a2d s LYS 112 Ca 0.26 -0.69 0.01 0.00 -1.36 0.00 0.00 55.97 54.18 1a2d s LYS 112 Cb 0.18 -2.82 0.07 0.00 -1.68 0.00 0.00 37.83 33.57 1a2d s LYS 112 CO 0.40 0.30 -0.02 -1.17 -0.76 0.00 0.00 175.35 174.10 1a2d s LEU 113 N -4.09 2.71 -0.09 3.17 0.20 -0.45 -1.05 118.68 119.08 1a2d s LEU 113 Ca 0.37 -1.33 -0.20 0.00 0.69 0.00 0.00 54.13 53.67 1a2d s LEU 113 Cb -0.09 -1.16 -0.04 0.00 -0.43 0.00 0.00 46.19 44.46 1a2d s LEU 113 CO 0.31 -0.28 0.55 -0.69 -0.29 0.00 0.00 176.35 175.95 1a2d s VAL 114 N 1.39 5.11 -0.26 1.68 1.01 0.21 -0.97 120.40 128.57 1a2d s VAL 114 Ca -0.02 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1a2d s VAL 114 Cb -0.19 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.35 1a2d s VAL 114 CO -0.09 0.32 -0.08 -0.69 0.00 0.00 0.00 175.10 174.57 1a2d s VAL 115 N 0.52 2.54 0.11 2.92 1.01 0.32 -1.43 120.40 126.38 1a2d s VAL 115 Ca 0.30 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1a2d s VAL 115 Cb -0.16 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.84 1a2d s VAL 115 CO 0.13 0.07 0.10 -0.62 0.00 0.00 0.00 175.10 174.79 1a2d n GLU 116 N 4.56 1.22 -3.65 2.72 1.02 -0.41 -1.49 120.64 124.61 1a2d n GLU 116 Ca -0.15 -0.63 -0.02 0.00 -0.02 0.00 0.00 57.16 56.34 1a2d n GLU 116 Cb 0.44 0.04 -0.07 0.00 -0.02 0.00 0.00 31.44 31.83 1a2d n GLU 116 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1a2d s VAL 118 N -0.26 0.00 -0.31 2.62 1.01 0.35 0.03 120.40 123.85 1a2d s VAL 118 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1a2d s VAL 118 Cb -0.01 -1.00 0.13 0.00 0.00 0.00 0.00 36.38 35.50 1a2d s VAL 118 CO 0.05 0.00 0.25 -0.32 0.00 0.00 0.00 175.10 175.08 1a2d s MET 119 N 0.73 0.35 4.18 2.72 1.75 -0.92 -1.84 119.30 126.27 1a2d s MET 119 Ca -0.03 -0.48 0.00 0.00 -1.25 0.00 0.00 55.69 53.94 1a2d s MET 119 Cb -0.04 -0.88 0.00 0.00 2.84 0.00 0.00 34.83 36.76 1a2d s MET 119 CO -0.12 -1.07 0.00 1.63 -0.65 0.00 0.00 175.02 174.81 1a2d n LYS 120 N 5.01 0.00 -0.10 4.11 4.76 -1.26 -2.60 118.16 128.07 1a2d n LYS 120 Ca 0.00 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.31 1a2d n LYS 120 Cb 0.44 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.52 1a2d n LYS 120 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a2d n GLY 121 N 0.00 -0.44 3.77 0.72 0.00 -1.26 -5.01 105.19 102.98 1a2d n GLY 121 Ca 0.00 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1a2d n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1a2d s VAL 122 N -2.43 3.16 -0.16 1.61 -7.23 -1.07 -5.06 120.40 109.23 1a2d s VAL 122 Ca -0.24 0.66 -0.04 0.00 -1.81 0.00 0.00 61.98 60.55 1a2d s VAL 122 Cb 0.07 -3.22 0.08 0.00 0.56 0.00 0.00 36.38 33.87 1a2d s VAL 122 CO 0.56 -0.22 0.24 -0.89 -0.31 0.00 0.00 175.10 174.47 1a2d s THR 123 N -1.95 -0.36 0.16 5.32 2.01 -1.26 -2.17 115.64 117.38 1a2d s THR 123 Ca 0.71 0.12 -0.19 0.00 0.31 0.00 0.00 61.69 62.64 1a2d s THR 123 Cb -0.23 -0.53 -0.07 0.00 0.01 0.00 0.00 72.50 71.68 1a2d s THR 123 CO 0.32 -0.01 0.65 -0.55 -0.69 0.00 0.00 174.62 174.34 1a2d s SER 124 N 2.37 7.07 -0.11 3.53 0.15 -1.26 -4.68 113.70 120.76 1a2d s SER 124 Ca 0.04 1.34 0.00 0.00 0.70 0.00 0.00 55.95 58.04 1a2d s SER 124 Cb -0.14 -2.39 0.02 0.00 -1.71 0.00 0.00 66.02 61.81 1a2d s SER 124 CO -0.10 0.14 -0.09 -0.89 1.20 0.00 0.00 173.24 173.50 1a2d s THR 125 N -1.34 1.12 -0.04 6.45 2.01 0.16 -4.34 115.64 119.65 1a2d s THR 125 Ca 0.37 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1a2d s THR 125 Cb -0.18 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.25 1a2d s THR 125 CO 0.21 0.38 -0.03 -0.13 -0.69 0.00 0.00 174.62 174.36 1a2d s ARG 126 N 1.49 0.62 0.06 4.92 0.52 -0.55 0.55 118.95 126.55 1a2d s ARG 126 Ca 0.01 -0.03 0.05 0.00 -0.52 0.00 0.00 55.73 55.24 1a2d s ARG 126 Cb -0.13 -0.70 -0.04 0.00 0.52 0.00 0.00 34.95 34.60 1a2d s ARG 126 CO -0.06 -0.10 -0.05 0.14 0.02 0.00 0.00 175.30 175.25 1a2d s VAL 127 N 0.96 3.75 0.28 3.52 -7.23 -0.94 -0.52 120.40 120.22 1a2d s VAL 127 Ca -0.11 -0.95 0.05 0.00 -1.81 0.00 0.00 61.98 59.17 1a2d s VAL 127 Cb -0.14 -2.72 -0.06 0.00 0.56 0.00 0.00 36.38 34.02 1a2d s VAL 127 CO -0.01 0.23 -0.01 -0.31 -0.31 0.00 0.00 175.10 174.70 1a2d s TYR 128 N -1.16 1.85 0.05 2.82 1.51 -0.15 -1.59 117.35 120.69 1a2d s TYR 128 Ca 0.21 -0.84 -0.09 0.00 -1.01 0.00 0.00 57.07 55.34 1a2d s TYR 128 Cb -0.11 -1.12 0.00 0.00 -0.11 0.00 0.00 41.96 40.62 1a2d s TYR 128 CO 0.13 0.11 0.18 -1.83 -1.11 0.00 0.00 175.55 173.03 1a2d s GLU 129 N -3.82 0.72 0.25 -0.62 -1.05 -0.23 -1.34 118.70 112.60 1a2d s GLU 129 Ca 0.31 -0.72 -0.30 0.00 -0.15 0.00 0.00 54.97 54.11 1a2d s GLU 129 Cb 0.06 0.29 -0.14 0.00 -0.44 0.00 0.00 34.13 33.90 1a2d s GLU 129 CO 0.12 -0.21 1.25 0.54 0.95 0.00 0.00 175.26 177.92 1a2d n ARG 130 N 0.52 1.71 0.00 -4.83 1.74 -1.26 -0.10 116.66 114.44 1a2d n ARG 130 Ca -0.18 0.60 0.11 0.00 -0.77 0.00 0.00 57.85 57.61 1a2d n ARG 130 Cb 0.60 -2.16 0.63 0.00 -1.02 0.00 0.00 32.46 30.51 1a2d n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11