#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pkd s ILE 6 N 0.00 3.90 -0.18 6.31 1.01 -1.26 -4.46 121.20 126.52 2pkd s ILE 6 Ca 0.00 0.81 -0.28 0.00 0.00 0.00 0.00 60.65 61.17 2pkd s ILE 6 Cb 0.00 -4.53 -0.00 0.00 0.01 0.00 0.00 42.46 37.94 2pkd s ILE 6 CO 0.00 -1.19 0.99 0.12 0.00 0.00 0.00 174.94 174.87 2pkd s PHE 7 N 5.52 3.40 -0.15 3.97 2.19 -0.94 -4.83 117.98 127.15 2pkd s PHE 7 Ca 0.50 1.47 -0.28 0.00 0.33 0.00 0.00 56.93 58.94 2pkd s PHE 7 Cb -0.10 -3.20 -0.01 0.00 -1.31 0.00 0.00 43.02 38.41 2pkd s PHE 7 CO 0.26 -0.36 0.97 0.99 1.83 0.00 0.00 175.22 178.91 2pkd s THR 8 N 2.66 4.79 -0.09 0.12 2.01 -1.26 -1.15 115.64 122.73 2pkd s THR 8 Ca 0.44 1.94 0.02 0.00 0.31 0.00 0.00 61.69 64.41 2pkd s THR 8 Cb -0.16 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.06 2pkd s THR 8 CO 0.11 -0.03 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.17 2pkd s VAL 9 N 2.28 2.94 -0.10 3.82 1.01 -0.13 -4.96 120.40 125.26 2pkd s VAL 9 Ca 0.45 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 2pkd s VAL 9 Cb -0.17 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2pkd s VAL 9 CO 0.14 0.56 -0.02 0.20 0.00 0.00 0.00 175.10 175.98 2pkd s ASN 10 N -0.18 5.04 0.21 3.32 0.01 -1.26 -1.12 114.94 120.96 2pkd s ASN 10 Ca -0.01 0.05 0.07 0.00 -0.71 0.00 0.00 52.86 52.27 2pkd s ASN 10 Cb -0.13 -1.48 -0.05 0.00 0.41 0.00 0.00 41.25 40.00 2pkd s ASN 10 CO 0.03 0.33 -0.12 -0.83 -1.51 0.00 0.00 177.10 175.00 2pkd s GLY 11 N -0.59 1.44 -0.18 0.66 0.00 -0.33 -4.94 107.32 103.38 2pkd s GLY 11 Ca 0.09 -1.68 -0.07 0.00 0.00 0.00 0.00 44.72 43.07 2pkd s GLY 11 CO 0.02 -1.74 0.05 -0.42 0.00 0.00 0.00 173.10 171.01 2pkd s ILE 12 N -3.04 4.62 -0.29 0.90 -1.09 -1.26 -1.31 121.20 119.72 2pkd s ILE 12 Ca 0.23 -0.09 -0.44 0.00 -2.23 0.00 0.00 60.65 58.12 2pkd s ILE 12 Cb 0.01 -3.08 -0.20 0.00 -1.58 0.00 0.00 42.46 37.61 2pkd s ILE 12 CO 0.07 0.46 1.40 -0.11 -1.23 0.00 0.00 174.94 175.52 2pkd n LEU 13 N 3.61 0.77 0.00 2.97 7.94 -0.37 -1.17 117.00 130.75 2pkd n LEU 13 Ca -0.17 1.17 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 2pkd n LEU 13 Cb 0.52 -0.91 0.00 0.00 0.53 0.00 0.00 43.42 43.57 2pkd n LEU 13 CO 0.35 -1.25 0.00 0.61 -1.11 0.00 0.00 177.39 175.99 2pkd n GLY 14 N 3.02 1.71 0.00 -3.96 0.00 0.96 -4.77 105.19 102.15 2pkd n GLY 14 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2pkd n GLY 14 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pkd n GLU 15 N -2.00 3.22 -4.34 1.61 -0.58 -0.32 -4.30 120.64 113.92 2pkd n GLU 15 Ca 0.00 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.48 2pkd n GLU 15 Cb 0.00 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.77 2pkd n GLU 15 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2pkd s SER 16 N -0.32 3.97 0.01 1.62 0.01 -1.26 -1.31 113.70 116.42 2pkd s SER 16 Ca 0.00 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.56 2pkd s SER 16 Cb 0.00 -0.55 -0.01 0.00 0.21 0.00 0.00 66.02 65.67 2pkd s SER 16 CO 0.00 0.10 -0.02 0.54 0.41 0.00 0.00 173.24 174.27 2pkd s VAL 17 N -1.79 0.11 -0.16 3.43 0.11 -0.52 -4.67 120.40 116.91 2pkd s VAL 17 Ca 0.24 -0.52 -0.07 0.00 -2.93 0.00 0.00 61.98 58.71 2pkd s VAL 17 Cb -0.08 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 2pkd s VAL 17 CO 0.14 -0.25 0.08 -0.89 -3.33 0.00 0.00 175.10 170.84 2pkd s THR 18 N -0.79 4.94 -0.25 5.04 2.01 -1.26 -1.98 115.64 123.34 2pkd s THR 18 Ca -0.08 0.01 -0.14 0.00 0.31 0.00 0.00 61.69 61.79 2pkd s THR 18 Cb -0.06 -3.19 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 2pkd s THR 18 CO -0.00 0.51 0.31 -0.36 -0.69 0.00 0.00 174.62 174.39 2pkd s PHE 19 N -0.09 3.28 -0.05 4.92 0.08 0.22 -4.98 117.98 121.36 2pkd s PHE 19 Ca 0.07 0.37 -0.30 0.00 0.12 0.00 0.00 56.93 57.20 2pkd s PHE 19 Cb -0.12 -2.48 -0.05 0.00 -0.57 0.00 0.00 43.02 39.81 2pkd s PHE 19 CO 0.01 -0.12 1.41 -1.25 -0.10 0.00 0.00 175.22 175.17 2pkd s PRO 20 N 1.68 4.26 0.07 0.24 0.04 -1.26 -2.67 135.00 137.36 2pkd s PRO 20 Ca 0.13 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2pkd s PRO 20 Cb -0.15 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.70 2pkd s PRO 20 CO 0.09 -0.64 0.00 0.28 0.04 0.00 0.00 177.00 176.76 2pkd n VAL 21 N 4.96 0.78 -3.36 -0.36 0.31 -1.26 -4.99 118.33 114.40 2pkd n VAL 21 Ca 0.14 0.26 -0.16 0.00 -0.01 0.00 0.00 64.34 64.57 2pkd n VAL 21 Cb 0.44 -1.52 0.03 0.00 -0.91 0.00 0.00 33.84 31.88 2pkd n VAL 21 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2pkd n ASN 22 N -3.32 -6.49 -4.70 4.52 3.02 -0.91 -4.90 115.26 102.48 2pkd n ASN 22 Ca 0.00 -0.61 -0.42 0.00 -0.03 0.00 0.00 54.58 53.52 2pkd n ASN 22 Cb 0.17 -4.36 -0.03 0.00 -0.61 0.00 0.00 39.78 34.95 2pkd n ASN 22 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pkd s ILE 23 N -3.23 3.62 0.63 2.41 -1.09 0.11 -5.02 121.20 118.62 2pkd s ILE 23 Ca 0.26 1.07 -0.11 0.00 -2.23 0.00 0.00 60.65 59.64 2pkd s ILE 23 Cb -0.06 -3.69 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 2pkd s ILE 23 CO 0.79 0.03 1.03 -1.10 -1.23 0.00 0.00 174.94 174.46 2pkd s GLN 24 N 1.94 3.51 0.35 2.79 -0.21 -1.26 -4.61 119.66 122.16 2pkd s GLN 24 Ca 0.64 0.80 0.26 0.00 0.02 0.00 0.00 55.36 57.08 2pkd s GLN 24 Cb -0.33 -2.07 1.16 0.00 1.00 0.00 0.00 33.01 32.77 2pkd s GLN 24 CO 0.28 -0.64 1.79 1.49 -2.12 0.00 0.00 175.29 176.09 2pkd h GLU 25 N -0.30 0.00 0.00 2.91 4.81 -1.97 -2.74 114.58 117.29 2pkd h GLU 25 Ca -0.44 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.60 2pkd h GLU 25 Cb 1.19 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 2pkd h GLU 25 CO 0.61 0.00 -0.98 -1.00 -0.73 0.00 0.00 179.01 176.91 2pkd h PRO 26 N 0.00 0.00 -6.69 0.92 0.13 -2.04 -3.47 132.00 120.85 2pkd h PRO 26 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 2pkd h PRO 26 Cb 0.33 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.51 2pkd h PRO 26 CO 0.00 0.80 0.73 1.03 -0.23 0.00 0.00 178.00 180.33 2pkd s ARG 27 N -2.77 4.31 -0.20 0.86 1.81 -1.04 -5.04 118.95 116.88 2pkd s ARG 27 Ca 0.01 2.20 -0.02 0.00 -1.72 0.00 0.00 55.73 56.20 2pkd s ARG 27 Cb 0.09 -3.16 0.00 0.00 -0.45 0.00 0.00 34.95 31.44 2pkd s ARG 27 CO 0.80 -0.38 -0.10 -1.14 -0.68 0.00 0.00 175.30 173.80 2pkd s GLN 28 N 0.02 3.25 0.05 3.54 2.00 -1.26 -4.89 119.66 122.36 2pkd s GLN 28 Ca 0.60 -0.69 -0.30 0.00 -2.00 0.00 0.00 55.36 52.97 2pkd s GLN 28 Cb -0.40 -2.86 -0.04 0.00 0.80 0.00 0.00 33.01 30.51 2pkd s GLN 28 CO 0.39 -0.19 1.01 0.08 -0.50 0.00 0.00 175.29 176.08 2pkd s VAL 29 N 1.39 4.60 -0.19 1.34 1.01 -1.26 -0.99 120.40 126.30 2pkd s VAL 29 Ca 0.05 1.96 -0.15 0.00 0.00 0.00 0.00 61.98 63.84 2pkd s VAL 29 Cb -0.14 -4.25 -0.09 0.00 0.00 0.00 0.00 36.38 31.90 2pkd s VAL 29 CO -0.06 0.20 -0.17 0.29 0.00 0.00 0.00 175.10 175.36 2pkd n LYS 30 N 3.51 0.52 -3.66 2.72 5.02 0.36 -4.62 118.16 122.00 2pkd n LYS 30 Ca 0.05 0.41 -0.11 0.00 -2.02 0.00 0.00 58.31 56.64 2pkd n LYS 30 Cb 0.50 -1.60 -0.08 0.00 -0.02 0.00 0.00 35.03 33.82 2pkd n LYS 30 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2pkd s ILE 31 N -2.49 -0.00 -0.19 -0.18 2.07 -1.04 -4.39 121.20 114.98 2pkd s ILE 31 Ca -0.26 0.02 -0.06 0.00 -1.41 0.00 0.00 60.65 58.94 2pkd s ILE 31 Cb 0.06 -0.85 -0.03 0.00 0.13 0.00 0.00 42.46 41.77 2pkd s ILE 31 CO 0.40 0.01 0.02 -0.63 -1.91 0.00 0.00 174.94 172.83 2pkd s ILE 32 N 0.88 4.30 -0.25 2.00 1.01 0.03 -0.61 121.20 128.55 2pkd s ILE 32 Ca -0.04 -0.20 -0.08 0.00 0.00 0.00 0.00 60.65 60.32 2pkd s ILE 32 Cb -0.05 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 2pkd s ILE 32 CO -0.07 0.45 0.11 0.00 0.00 0.00 0.00 174.94 175.42 2pkd s ALA 33 N 0.64 3.30 -0.15 9.38 0.00 -0.89 0.05 121.76 134.09 2pkd s ALA 33 Ca 0.01 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 50.82 2pkd s ALA 33 Cb -0.14 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 2pkd s ALA 33 CO 0.02 -0.46 0.03 -1.58 0.00 0.00 0.00 175.76 173.78 2pkd s TRP 34 N 1.57 3.21 0.05 0.00 0.52 -0.07 -1.16 118.94 123.07 2pkd s TRP 34 Ca 0.06 0.05 0.00 0.00 0.02 0.00 0.00 56.10 56.23 2pkd s TRP 34 Cb -0.15 -1.99 -0.04 0.00 -1.15 0.00 0.00 33.47 30.15 2pkd s TRP 34 CO 0.06 0.22 -0.04 0.95 0.02 0.00 0.00 176.95 178.15 2pkd s THR 35 N 0.03 0.33 0.00 2.01 -4.23 -0.22 -1.36 115.64 112.19 2pkd s THR 35 Ca 0.04 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 2pkd s THR 35 Cb -0.12 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 72.47 2pkd s THR 35 CO 0.01 -0.83 0.00 -0.24 -0.54 0.00 0.00 174.62 173.03 2pkd n SER 36 N 0.47 1.22 0.32 3.99 2.88 -1.26 -1.02 113.62 120.22 2pkd n SER 36 Ca -0.16 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.57 2pkd n SER 36 Cb 0.59 0.00 1.08 0.00 -0.75 0.00 0.00 64.21 65.14 2pkd n SER 36 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2pkd h LYS 37 N 0.00 0.00 -5.00 -1.46 1.57 -1.96 -3.42 116.57 106.31 2pkd h LYS 37 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 2pkd h LYS 37 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.17 2pkd h LYS 37 CO 0.00 0.00 -0.64 0.95 -0.57 0.00 0.00 179.45 179.19 2pkd s THR 38 N -4.31 0.85 0.76 -0.16 -4.23 -1.26 -5.12 115.64 102.16 2pkd s THR 38 Ca -0.05 -2.01 -0.15 0.00 -1.18 0.00 0.00 61.69 58.30 2pkd s THR 38 Cb 0.14 -2.44 0.05 0.00 1.34 0.00 0.00 72.50 71.59 2pkd s THR 38 CO 0.47 -0.22 1.23 -0.94 -0.54 0.00 0.00 174.62 174.62 2pkd s SER 39 N -3.31 3.93 0.07 3.99 1.04 -1.26 -4.66 113.70 113.51 2pkd s SER 39 Ca 0.31 2.43 -0.01 0.00 0.48 0.00 0.00 55.95 59.16 2pkd s SER 39 Cb 0.07 -2.60 -0.00 0.00 0.10 0.00 0.00 66.02 63.59 2pkd s SER 39 CO 0.10 -2.44 -0.01 0.52 0.98 0.00 0.00 173.24 172.39 2pkd n VAL 40 N -2.87 0.98 -3.57 5.02 0.31 -0.47 -4.34 118.33 113.39 2pkd n VAL 40 Ca 0.14 0.32 -0.05 0.00 -0.01 0.00 0.00 64.34 64.73 2pkd n VAL 40 Cb 0.50 -1.49 -0.02 0.00 -0.91 0.00 0.00 33.84 31.92 2pkd n VAL 40 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pkd s ALA 41 N -2.04 -2.01 0.05 3.52 0.00 -1.10 -1.64 121.76 118.53 2pkd s ALA 41 Ca -0.01 1.47 0.03 0.00 0.00 0.00 0.00 51.96 53.45 2pkd s ALA 41 Cb 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2pkd s ALA 41 CO 0.01 -0.60 0.01 0.71 0.00 0.00 0.00 175.76 175.90 2pkd s TYR 42 N -2.50 3.05 -0.06 0.00 2.02 0.28 -0.89 117.35 119.25 2pkd s TYR 42 Ca 0.08 0.03 0.04 0.00 -0.37 0.00 0.00 57.07 56.85 2pkd s TYR 42 Cb -0.01 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 39.95 2pkd s TYR 42 CO -0.06 0.47 -0.17 0.08 -1.57 0.00 0.00 175.55 174.31 2pkd s VAL 43 N -1.21 1.49 0.14 0.71 1.01 0.11 -1.12 120.40 121.52 2pkd s VAL 43 Ca 0.23 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.57 2pkd s VAL 43 Cb -0.12 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2pkd s VAL 43 CO 0.15 0.43 -0.16 0.42 0.00 0.00 0.00 175.10 175.93 2pkd s THR 44 N 0.31 1.59 0.39 3.92 -4.23 -0.22 -0.79 115.64 116.62 2pkd s THR 44 Ca -0.11 -1.81 -0.26 0.00 -1.18 0.00 0.00 61.69 58.33 2pkd s THR 44 Cb -0.14 -1.69 -0.11 0.00 1.34 0.00 0.00 72.50 71.89 2pkd s THR 44 CO 0.04 -0.35 1.24 -2.65 -0.54 0.00 0.00 174.62 172.36 2pkd n PRO 45 N 0.43 1.90 0.00 3.99 -0.02 -1.26 -0.77 135.00 139.27 2pkd n PRO 45 Ca -0.14 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2pkd n PRO 45 Cb 0.57 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2pkd n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pkd n GLY 46 N 0.86 1.49 0.00 -1.23 0.00 -1.26 -4.43 105.19 100.62 2pkd n GLY 46 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2pkd n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pkd n ASP 47 N 0.00 0.00 0.30 1.61 10.43 -0.70 -4.91 116.55 123.28 2pkd n ASP 47 Ca 0.00 0.00 -0.16 0.00 2.57 0.00 0.00 54.79 57.20 2pkd n ASP 47 Cb 0.00 0.00 -0.08 0.00 1.84 0.00 0.00 41.12 42.88 2pkd n ASP 47 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 2pkd h SER 48 N 0.00 -0.61 -1.61 -2.24 0.02 -2.01 -3.38 113.55 103.72 2pkd h SER 48 Ca 0.00 -0.01 -0.46 0.00 -0.84 0.00 0.00 61.79 60.48 2pkd h SER 48 Cb 0.00 0.16 -0.35 0.00 0.14 0.00 0.00 62.40 62.35 2pkd h SER 48 CO 0.00 -0.39 -1.02 -0.62 -1.14 0.00 0.00 176.83 173.66 2pkd n GLU 49 N -5.38 0.85 -3.76 3.45 -0.58 -1.26 -5.04 120.64 108.93 2pkd n GLU 49 Ca -0.12 -3.01 -0.35 0.00 -0.42 0.00 0.00 57.16 53.25 2pkd n GLU 49 Cb 0.31 -1.41 -0.08 0.00 -0.57 0.00 0.00 31.44 29.69 2pkd n GLU 49 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2pkd s THR 50 N -1.34 5.43 0.80 2.62 2.01 -1.26 -5.14 115.64 118.76 2pkd s THR 50 Ca 0.35 0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.43 2pkd s THR 50 Cb 0.26 -3.46 0.07 0.00 0.01 0.00 0.00 72.50 69.38 2pkd s THR 50 CO -0.11 0.47 1.13 0.00 -0.69 0.00 0.00 174.62 175.43 2pkd s ALA 51 N 0.11 2.46 0.43 7.40 0.00 -1.26 -1.72 121.76 129.18 2pkd s ALA 51 Ca 0.09 -0.46 -0.23 0.00 0.00 0.00 0.00 51.96 51.36 2pkd s ALA 51 Cb -0.11 -3.02 -0.11 0.00 0.00 0.00 0.00 23.12 19.88 2pkd s ALA 51 CO -0.01 -1.67 0.76 -2.30 0.00 0.00 0.00 175.76 172.54 2pkd n PRO 52 N -3.35 0.89 -3.09 0.00 -0.02 -1.26 -4.19 135.00 123.99 2pkd n PRO 52 Ca 0.07 0.32 -0.39 0.00 -2.02 0.00 0.00 63.50 61.48 2pkd n PRO 52 Cb 0.59 -1.76 -0.05 0.00 -0.02 0.00 0.00 33.50 32.25 2pkd n PRO 52 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pkd s VAL 53 N -1.39 4.89 -0.15 -1.45 1.01 0.05 -4.69 120.40 118.67 2pkd s VAL 53 Ca 0.64 1.42 -0.01 0.00 0.00 0.00 0.00 61.98 64.04 2pkd s VAL 53 Cb -0.57 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 31.78 2pkd s VAL 53 CO 0.57 0.35 -0.12 -0.69 0.00 0.00 0.00 175.10 175.21 2pkd s VAL 54 N 0.14 2.98 -0.24 2.92 1.01 -1.26 -1.06 120.40 124.89 2pkd s VAL 54 Ca 0.35 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 2pkd s VAL 54 Cb -0.19 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 33.95 2pkd s VAL 54 CO 0.19 0.51 -0.07 -0.89 0.00 0.00 0.00 175.10 174.84 2pkd s THR 55 N 0.69 2.85 0.04 3.92 2.01 -0.28 -4.99 115.64 119.88 2pkd s THR 55 Ca -0.06 -0.99 -0.25 0.00 0.31 0.00 0.00 61.69 60.69 2pkd s THR 55 Cb -0.15 -2.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 2pkd s THR 55 CO 0.02 0.23 0.78 -0.69 -0.69 0.00 0.00 174.62 174.27 2pkd s VAL 56 N 1.33 4.74 -0.04 3.82 1.01 -1.26 -0.56 120.40 129.44 2pkd s VAL 56 Ca 0.01 1.65 0.05 0.00 0.00 0.00 0.00 61.98 63.69 2pkd s VAL 56 Cb -0.16 -4.13 0.08 0.00 0.00 0.00 0.00 36.38 32.17 2pkd s VAL 56 CO -0.05 0.35 0.97 0.35 0.00 0.00 0.00 175.10 176.72 2pkd n THR 57 N 2.89 1.03 -3.75 3.92 -2.24 -0.65 -4.94 114.28 110.54 2pkd n THR 57 Ca -0.02 -1.14 -0.12 0.00 -2.27 0.00 0.00 64.05 60.50 2pkd n THR 57 Cb 0.50 0.36 -0.12 0.00 -2.10 0.00 0.00 70.33 68.98 2pkd n THR 57 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2pkd s HIS 58 N -1.31 -0.34 0.56 4.78 5.65 -1.26 -4.82 115.29 118.55 2pkd s HIS 58 Ca 0.09 0.80 0.25 0.00 0.25 0.00 0.00 55.06 56.45 2pkd s HIS 58 Cb 0.08 0.10 1.50 0.00 -1.18 0.00 0.00 32.58 33.07 2pkd s HIS 58 CO 0.01 -0.19 2.08 0.07 -0.65 0.00 0.00 174.74 176.05 2pkd h ARG 59 N 6.41 0.00 -0.20 2.88 -0.00 -1.94 -0.97 114.38 120.56 2pkd h ARG 59 Ca -0.33 0.00 0.06 0.00 -0.00 0.00 0.00 59.98 59.71 2pkd h ARG 59 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.14 2pkd h ARG 59 CO 0.35 0.00 0.21 -0.91 -0.00 0.00 0.00 179.97 179.62 2pkd h ASN 60 N 0.00 0.00 -0.01 0.08 2.35 -1.96 -2.66 115.58 113.38 2pkd h ASN 60 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2pkd h ASN 60 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2pkd h ASN 60 CO -0.00 0.00 -0.50 -1.22 -1.65 0.00 0.00 177.43 174.06 2pkd n TYR 61 N -3.86 0.00 -1.70 1.19 4.02 -0.37 -4.99 117.16 111.44 2pkd n TYR 61 Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.48 2pkd n TYR 61 Cb 0.34 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.65 2pkd n TYR 61 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2pkd n TYR 62 N -0.46 2.39 -1.11 -0.72 0.53 -1.01 -1.48 117.16 115.32 2pkd n TYR 62 Ca 0.06 0.46 -0.04 0.00 -1.02 0.00 0.00 57.90 57.37 2pkd n TYR 62 Cb 0.35 -2.47 -0.02 0.00 -1.03 0.00 0.00 39.34 36.18 2pkd n TYR 62 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 2pkd n GLU 63 N 1.23 -1.03 0.00 -0.72 -0.58 -1.26 -4.85 120.64 113.44 2pkd n GLU 63 Ca 0.07 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 2pkd n GLU 63 Cb 0.35 -4.36 0.00 0.00 -0.57 0.00 0.00 31.44 26.86 2pkd n GLU 63 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2pkd n ARG 64 N -1.35 1.73 -4.55 3.49 1.74 -0.55 -4.95 116.66 112.23 2pkd n ARG 64 Ca -0.04 -1.08 -0.28 0.00 -0.77 0.00 0.00 57.85 55.68 2pkd n ARG 64 Cb 0.31 -0.82 -0.17 0.00 -1.02 0.00 0.00 32.46 30.76 2pkd n ARG 64 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2pkd s ILE 65 N -0.59 1.48 0.08 0.55 -1.09 -1.25 -0.80 121.20 119.58 2pkd s ILE 65 Ca 0.00 -0.65 0.04 0.00 -2.23 0.00 0.00 60.65 57.82 2pkd s ILE 65 Cb 0.00 -1.35 -0.03 0.00 -1.58 0.00 0.00 42.46 39.50 2pkd s ILE 65 CO 0.00 0.44 -0.11 -1.00 -1.23 0.00 0.00 174.94 173.03 2pkd s HIS 66 N 0.87 1.07 0.11 3.97 3.76 0.63 -4.97 115.29 120.72 2pkd s HIS 66 Ca -0.09 -0.55 0.08 0.00 -0.15 0.00 0.00 55.06 54.35 2pkd s HIS 66 Cb -0.15 -0.60 -0.04 0.00 1.11 0.00 0.00 32.58 32.91 2pkd s HIS 66 CO 0.00 0.02 -0.20 0.00 -0.85 0.00 0.00 174.74 173.71 2pkd s ALA 67 N -1.82 1.80 0.07 -1.40 0.00 -1.26 -0.75 121.76 118.39 2pkd s ALA 67 Ca 0.00 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 50.75 2pkd s ALA 67 Cb -0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 2pkd s ALA 67 CO 0.01 0.34 -0.05 -0.51 0.00 0.00 0.00 175.76 175.56 2pkd s LEU 68 N -1.98 3.27 0.10 0.00 1.02 -0.33 -4.51 118.68 116.26 2pkd s LEU 68 Ca 0.07 -0.22 0.09 0.00 0.02 0.00 0.00 54.13 54.09 2pkd s LEU 68 Cb -0.10 -1.99 -0.04 0.00 0.02 0.00 0.00 46.19 44.09 2pkd s LEU 68 CO 0.04 0.21 -0.21 -0.83 0.02 0.00 0.00 176.35 175.58 2pkd s GLY 69 N -2.02 1.61 0.00 -3.19 0.00 -1.26 -0.85 107.32 101.61 2pkd s GLY 69 Ca 0.22 -1.35 0.25 0.00 0.00 0.00 0.00 44.72 43.84 2pkd s GLY 69 CO 0.14 -1.30 1.64 -1.55 0.00 0.00 0.00 173.10 172.02 2pkd n PRO 70 N 1.06 1.73 0.20 2.90 -0.04 -1.26 -4.85 135.00 134.75 2pkd n PRO 70 Ca -0.16 -1.08 0.05 0.00 -0.04 0.00 0.00 63.50 62.26 2pkd n PRO 70 Cb 0.53 -1.44 0.43 0.00 -0.04 0.00 0.00 33.50 32.97 2pkd n PRO 70 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 2pkd h ASN 71 N 2.41 0.00 -1.22 3.54 7.08 -1.82 -3.41 115.58 122.16 2pkd h ASN 71 Ca 0.00 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 53.02 2pkd h ASN 71 Cb 0.52 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.74 2pkd h ASN 71 CO 0.00 0.32 -0.24 -1.22 -2.08 0.00 0.00 177.43 174.21 2pkd n TYR 72 N -3.92 -0.38 -1.89 4.14 4.02 -0.03 0.06 117.16 119.16 2pkd n TYR 72 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.46 2pkd n TYR 72 Cb 0.38 -2.30 -0.02 0.00 -0.02 0.00 0.00 39.34 37.38 2pkd n TYR 72 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 2pkd s ASN 73 N -2.62 6.52 -0.03 7.72 0.01 -1.21 -4.70 114.94 120.63 2pkd s ASN 73 Ca 0.00 2.77 -0.19 0.00 -0.71 0.00 0.00 52.86 54.72 2pkd s ASN 73 Cb 0.00 -2.62 -0.05 0.00 0.41 0.00 0.00 41.25 38.99 2pkd s ASN 73 CO 0.00 -0.82 0.55 -0.22 -1.51 0.00 0.00 177.10 175.10 2pkd s LEU 74 N 0.08 4.40 -0.16 0.60 2.96 -1.09 -1.19 118.68 124.28 2pkd s LEU 74 Ca 0.64 1.07 0.00 0.00 -0.22 0.00 0.00 54.13 55.63 2pkd s LEU 74 Cb -0.45 -2.84 -0.00 0.00 0.50 0.00 0.00 46.19 43.40 2pkd s LEU 74 CO 0.41 0.11 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.71 2pkd s VAL 75 N -0.13 2.70 -0.11 1.68 1.01 0.07 -0.61 120.40 125.00 2pkd s VAL 75 Ca 0.29 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 2pkd s VAL 75 Cb -0.17 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2pkd s VAL 75 CO 0.15 0.51 -0.06 -0.63 0.00 0.00 0.00 175.10 175.07 2pkd s ILE 76 N 0.84 3.73 0.47 2.22 1.01 -0.84 -0.27 121.20 128.36 2pkd s ILE 76 Ca -0.05 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.20 2pkd s ILE 76 Cb -0.15 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 2pkd s ILE 76 CO -0.00 0.54 0.04 -0.94 0.00 0.00 0.00 174.94 174.58 2pkd s SER 77 N -0.16 4.10 -1.45 3.58 1.04 0.02 -1.44 113.70 119.38 2pkd s SER 77 Ca 0.02 -1.50 -0.04 0.00 0.48 0.00 0.00 55.95 54.91 2pkd s SER 77 Cb -0.13 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.14 2pkd s SER 77 CO 0.03 -0.71 0.23 -0.67 0.98 0.00 0.00 173.24 173.10 2pkd n ASP 78 N -1.19 -0.17 -4.74 7.02 2.03 -0.84 -4.82 116.55 113.84 2pkd n ASP 78 Ca -0.12 -1.18 -0.42 0.00 0.52 0.00 0.00 54.79 53.59 2pkd n ASP 78 Cb 0.67 -2.17 -0.01 0.00 -0.72 0.00 0.00 41.12 38.89 2pkd n ASP 78 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2pkd n LEU 79 N -4.55 4.24 -4.55 -2.67 4.77 -0.43 -4.63 117.00 109.18 2pkd n LEU 79 Ca -0.30 1.21 -0.27 0.00 -0.03 0.00 0.00 56.01 56.62 2pkd n LEU 79 Cb 0.68 -1.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.11 2pkd n LEU 79 CO 0.80 -0.08 -0.42 -0.13 -1.33 0.00 0.00 177.39 176.22 2pkd s ARG 80 N -1.71 1.99 0.27 3.23 0.52 -1.26 -0.03 118.95 121.96 2pkd s ARG 80 Ca 0.56 -1.32 -0.01 0.00 -0.52 0.00 0.00 55.73 54.44 2pkd s ARG 80 Cb -0.52 -2.11 0.46 0.00 0.52 0.00 0.00 34.95 33.30 2pkd s ARG 80 CO 0.60 0.42 1.86 0.52 0.02 0.00 0.00 175.30 178.73 2pkd h MET 81 N 2.89 1.04 0.00 3.54 2.86 -1.96 -0.42 114.93 122.88 2pkd h MET 81 Ca -0.46 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 2pkd h MET 81 Cb 1.21 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.63 2pkd h MET 81 CO 0.54 0.69 0.04 0.93 1.06 0.00 0.00 176.91 180.17 2pkd h GLU 82 N 1.07 0.00 0.00 1.72 3.07 -2.00 -2.46 114.58 115.98 2pkd h GLU 82 Ca 0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 2pkd h GLU 82 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2pkd h GLU 82 CO -0.21 0.00 0.00 -0.44 -1.40 0.00 0.00 179.01 176.96 2pkd h ASP 83 N 0.00 0.00 -4.01 1.42 3.32 -1.48 -3.47 116.42 112.21 2pkd h ASP 83 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2pkd h ASP 83 Cb 0.08 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.75 2pkd h ASP 83 CO 0.00 0.00 0.64 0.00 -1.72 0.00 0.00 179.24 178.16 2pkd s ALA 84 N -3.64 3.04 0.00 3.45 0.00 -0.93 -4.88 121.76 118.80 2pkd s ALA 84 Ca 0.01 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2pkd s ALA 84 Cb 0.09 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2pkd s ALA 84 CO 0.53 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 175.49 2pkd n GLY 85 N 0.64 0.93 3.79 0.00 0.00 -0.00 -4.96 105.19 105.59 2pkd n GLY 85 Ca 0.07 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 2pkd n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pkd s ASP 86 N -4.00 7.24 0.13 1.61 -0.00 -1.26 -0.61 116.67 119.77 2pkd s ASP 86 Ca 0.00 1.46 0.08 0.00 -0.00 0.00 0.00 52.55 54.09 2pkd s ASP 86 Cb 0.00 -2.43 -0.04 0.00 -0.00 0.00 0.00 42.92 40.45 2pkd s ASP 86 CO 0.00 0.24 -0.18 -0.31 -0.00 0.00 0.00 175.17 174.92 2pkd s TYR 87 N -1.12 1.67 -0.08 4.23 1.51 -0.34 -4.15 117.35 119.07 2pkd s TYR 87 Ca 0.33 -0.47 -0.03 0.00 -1.01 0.00 0.00 57.07 55.88 2pkd s TYR 87 Cb -0.21 -0.87 0.04 0.00 -0.11 0.00 0.00 41.96 40.81 2pkd s TYR 87 CO 0.23 0.23 0.17 0.21 -1.11 0.00 0.00 175.55 175.28 2pkd s LYS 88 N -2.44 0.12 -0.26 -0.62 2.20 -0.18 -1.14 119.74 117.41 2pkd s LYS 88 Ca 0.10 0.41 -0.05 0.00 -0.36 0.00 0.00 55.97 56.07 2pkd s LYS 88 Cb -0.07 -0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.08 2pkd s LYS 88 CO 0.05 -0.17 0.03 0.00 -0.36 0.00 0.00 175.35 174.90 2pkd s ALA 89 N 1.21 2.97 -0.57 3.13 0.00 -0.15 -1.06 121.76 127.29 2pkd s ALA 89 Ca -0.09 -1.34 -0.19 0.00 0.00 0.00 0.00 51.96 50.34 2pkd s ALA 89 Cb -0.11 -1.97 0.10 0.00 0.00 0.00 0.00 23.12 21.13 2pkd s ALA 89 CO -0.07 -0.73 0.68 -0.51 0.00 0.00 0.00 175.76 175.13 2pkd s ASP 90 N 1.48 6.19 -0.30 0.00 -0.00 -0.31 -1.32 116.67 122.42 2pkd s ASP 90 Ca 0.03 -1.36 -0.22 0.00 -0.00 0.00 0.00 52.55 51.01 2pkd s ASP 90 Cb -0.16 -2.30 -0.00 0.00 -0.00 0.00 0.00 42.92 40.46 2pkd s ASP 90 CO 0.00 -1.07 0.72 -0.63 -0.00 0.00 0.00 175.17 174.19 2pkd s ILE 91 N 2.63 4.86 -0.16 0.77 1.01 0.13 -2.09 121.20 128.36 2pkd s ILE 91 Ca 0.12 1.07 -0.03 0.00 0.00 0.00 0.00 60.65 61.80 2pkd s ILE 91 Cb -0.24 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 2pkd s ILE 91 CO 0.07 -0.18 -0.04 0.20 0.00 0.00 0.00 174.94 174.99 2pkd s ASN 92 N 1.60 4.73 0.24 3.58 0.01 0.22 -1.31 114.94 124.02 2pkd s ASN 92 Ca 0.29 -0.15 0.05 0.00 -0.71 0.00 0.00 52.86 52.34 2pkd s ASN 92 Cb -0.15 -1.77 -0.05 0.00 0.41 0.00 0.00 41.25 39.69 2pkd s ASN 92 CO 0.12 0.16 -0.04 0.42 -1.51 0.00 0.00 177.10 176.25 2pkd s THR 93 N 0.40 1.27 0.07 1.60 -4.23 -0.13 0.13 115.64 114.76 2pkd s THR 93 Ca -0.04 -2.07 -0.30 0.00 -1.18 0.00 0.00 61.69 58.09 2pkd s THR 93 Cb -0.14 -2.32 -0.18 0.00 1.34 0.00 0.00 72.50 71.19 2pkd s THR 93 CO 0.03 -0.36 1.60 -0.61 -0.54 0.00 0.00 174.62 174.74 2pkd h GLN 94 N 2.44 -0.67 -6.98 3.99 4.15 -1.37 -3.43 115.11 113.24 2pkd h GLN 94 Ca -0.39 0.05 -0.45 0.00 0.77 0.00 0.00 58.65 58.63 2pkd h GLN 94 Cb 1.22 0.15 0.06 0.00 0.21 0.00 0.00 27.48 29.12 2pkd h GLN 94 CO 0.65 -0.43 0.04 0.00 -1.93 0.00 0.00 178.83 177.17 2pkd s ALA 95 N -5.94 3.71 0.88 3.38 0.00 -1.26 -4.89 121.76 117.64 2pkd s ALA 95 Ca -0.16 -1.31 -0.11 0.00 0.00 0.00 0.00 51.96 50.38 2pkd s ALA 95 Cb 0.04 -2.17 0.13 0.00 0.00 0.00 0.00 23.12 21.11 2pkd s ALA 95 CO 0.62 -0.98 1.16 -0.51 0.00 0.00 0.00 175.76 176.04 2pkd s ASP 96 N -4.50 3.16 0.00 0.00 -0.00 -1.26 -2.23 116.67 111.84 2pkd s ASP 96 Ca 0.59 2.20 0.00 0.00 -0.00 0.00 0.00 52.55 55.35 2pkd s ASP 96 Cb -0.10 -2.57 0.00 0.00 -0.00 0.00 0.00 42.92 40.26 2pkd s ASP 96 CO 0.41 -2.95 0.37 -0.81 -0.00 0.00 0.00 175.17 172.19 2pkd n PRO 97 N -3.99 0.00 0.00 8.23 -0.04 -1.26 -5.00 135.00 132.94 2pkd n PRO 97 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2pkd n PRO 97 Cb 0.52 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2pkd n PRO 97 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2pkd n TYR 98 N -0.86 0.00 -4.20 0.54 4.02 -0.95 -4.80 117.16 110.91 2pkd n TYR 98 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.63 2pkd n TYR 98 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.15 2pkd n TYR 98 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2pkd s THR 99 N 0.00 1.10 -0.03 -0.72 2.01 -1.26 -0.95 115.64 115.79 2pkd s THR 99 Ca 0.00 -0.38 0.07 0.00 0.31 0.00 0.00 61.69 61.69 2pkd s THR 99 Cb 0.00 -1.06 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 2pkd s THR 99 CO 0.00 0.37 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.15 2pkd s THR 100 N 1.25 2.00 -0.09 -0.82 2.01 -0.42 -4.96 115.64 114.61 2pkd s THR 100 Ca -0.03 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 60.92 2pkd s THR 100 Cb -0.14 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.70 2pkd s THR 100 CO -0.03 0.56 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.38 2pkd s THR 101 N -0.52 2.57 -0.03 -0.82 2.01 -1.26 0.19 115.64 117.78 2pkd s THR 101 Ca 0.08 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.28 2pkd s THR 101 Cb -0.10 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.38 2pkd s THR 101 CO -0.00 0.56 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.72 2pkd s LYS 102 N 0.03 1.90 0.00 4.92 1.02 -0.44 -4.99 119.74 122.19 2pkd s LYS 102 Ca -0.07 -0.79 0.06 0.00 0.02 0.00 0.00 55.97 55.19 2pkd s LYS 102 Cb -0.15 -1.78 -0.03 0.00 -0.52 0.00 0.00 37.83 35.35 2pkd s LYS 102 CO 0.05 0.44 -0.17 1.03 -0.92 0.00 0.00 175.35 175.78 2pkd s ARG 103 N -0.42 2.24 0.01 1.68 0.52 -1.26 -0.98 118.95 120.75 2pkd s ARG 103 Ca 0.06 -0.87 -0.06 0.00 -0.52 0.00 0.00 55.73 54.33 2pkd s ARG 103 Cb -0.10 -2.25 -0.00 0.00 0.52 0.00 0.00 34.95 33.12 2pkd s ARG 103 CO 0.00 0.57 0.11 0.71 0.02 0.00 0.00 175.30 176.72 2pkd s TYR 104 N -0.83 0.10 -0.19 -0.53 2.02 -0.29 -2.21 117.35 115.42 2pkd s TYR 104 Ca 0.13 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 2pkd s TYR 104 Cb -0.10 -0.08 0.04 0.00 -0.40 0.00 0.00 41.96 41.42 2pkd s TYR 104 CO 0.03 -0.30 -0.08 1.21 -1.57 0.00 0.00 175.55 174.84 2pkd s ASN 105 N -1.60 3.22 -0.14 2.29 2.47 -0.30 -1.19 114.94 119.68 2pkd s ASN 105 Ca -0.12 -0.83 -0.16 0.00 0.42 0.00 0.00 52.86 52.18 2pkd s ASN 105 Cb -0.06 -1.10 -0.04 0.00 -1.45 0.00 0.00 41.25 38.59 2pkd s ASN 105 CO -0.00 -0.17 0.37 -0.22 -3.72 0.00 0.00 177.10 173.36 2pkd s LEU 106 N 1.49 4.25 -0.01 3.21 2.96 0.21 -0.96 118.68 129.85 2pkd s LEU 106 Ca -0.01 0.63 0.07 0.00 -0.22 0.00 0.00 54.13 54.60 2pkd s LEU 106 Cb -0.16 -2.50 -0.02 0.00 0.50 0.00 0.00 46.19 44.01 2pkd s LEU 106 CO -0.08 0.06 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.68 2pkd s GLN 107 N 0.55 1.79 -0.04 1.98 -1.52 -0.27 -0.82 119.66 121.32 2pkd s GLN 107 Ca 0.20 -0.85 0.05 0.00 -1.95 0.00 0.00 55.36 52.81 2pkd s GLN 107 Cb -0.14 -1.77 -0.02 0.00 -0.22 0.00 0.00 33.01 30.86 2pkd s GLN 107 CO 0.06 0.48 -0.18 0.42 -0.25 0.00 0.00 175.29 175.82 2pkd s ILE 108 N -0.59 2.74 -0.04 1.08 -1.09 -1.26 -1.19 121.20 120.85 2pkd s ILE 108 Ca 0.09 -0.84 0.02 0.00 -2.23 0.00 0.00 60.65 57.69 2pkd s ILE 108 Cb -0.09 -2.04 0.01 0.00 -1.58 0.00 0.00 42.46 38.76 2pkd s ILE 108 CO -0.00 0.59 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.89 2pkd s TYR 109 N -0.64 1.05 -0.31 3.97 2.02 -0.43 -4.93 117.35 118.08 2pkd s TYR 109 Ca 0.10 -0.31 -0.23 0.00 -0.37 0.00 0.00 57.07 56.26 2pkd s TYR 109 Cb -0.11 -0.78 -0.00 0.00 -0.40 0.00 0.00 41.96 40.67 2pkd s TYR 109 CO 0.00 -0.17 0.75 0.50 -1.57 0.00 0.00 175.55 175.07 2pkd s ARG 110 N 0.47 3.92 0.00 -0.62 3.52 -1.26 -1.24 118.95 123.75 2pkd s ARG 110 Ca -0.08 0.49 0.00 0.00 -0.13 0.00 0.00 55.73 56.01 2pkd s ARG 110 Cb -0.12 -3.74 0.00 0.00 -1.56 0.00 0.00 34.95 29.53 2pkd s ARG 110 CO 0.01 -0.67 0.00 0.54 -0.81 0.00 0.00 175.30 174.37