#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 2.92 -0.14 6.31 1.01 -1.26 -4.85 121.20 125.19 2pkd s ILE 6 Ca 0.00 0.26 -0.23 0.00 0.00 0.00 0.00 60.65 60.69 2pkd s ILE 6 Cb 0.00 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 2pkd s ILE 6 CO 0.00 -0.01 0.70 0.12 0.00 0.00 0.00 174.94 175.75 2pkd s PHE 7 N 3.21 3.47 -0.04 3.97 2.19 -0.73 -4.87 117.98 125.19 2pkd s PHE 7 Ca 0.79 1.13 -0.23 0.00 0.33 0.00 0.00 56.93 58.95 2pkd s PHE 7 Cb -0.42 -2.84 -0.04 0.00 -1.31 0.00 0.00 43.02 38.41 2pkd s PHE 7 CO 0.35 -0.07 0.68 0.99 1.83 0.00 0.00 175.22 179.00 2pkd s THR 8 N 1.48 4.97 -0.01 0.12 2.01 -1.26 -0.87 115.64 122.08 2pkd s THR 8 Ca 0.34 1.41 0.05 0.00 0.31 0.00 0.00 61.69 63.80 2pkd s THR 8 Cb -0.17 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 2pkd s THR 8 CO 0.14 0.31 -0.16 0.68 -0.69 0.00 0.00 174.62 174.89 2pkd s VAL 9 N 0.44 1.30 -0.06 3.82 -7.23 -0.46 -4.96 120.40 113.25 2pkd s VAL 9 Ca 0.36 -0.70 0.01 0.00 -1.81 0.00 0.00 61.98 59.84 2pkd s VAL 9 Cb -0.18 -1.08 -0.03 0.00 0.56 0.00 0.00 36.38 35.65 2pkd s VAL 9 CO 0.18 0.37 -0.06 0.20 -0.31 0.00 0.00 175.10 175.48 2pkd s ASN 10 N -0.35 4.68 0.10 4.85 0.01 -1.26 -0.91 114.94 122.06 2pkd s ASN 10 Ca 0.06 -0.02 -0.00 0.00 -0.71 0.00 0.00 52.86 52.18 2pkd s ASN 10 Cb -0.07 -1.18 -0.04 0.00 0.41 0.00 0.00 41.25 40.37 2pkd s ASN 10 CO -0.00 0.36 0.00 -0.83 -1.51 0.00 0.00 177.10 175.11 2pkd s GLY 11 N -0.87 0.80 -0.09 0.66 0.00 -0.42 -4.94 107.32 102.46 2pkd s GLY 11 Ca 0.13 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 43.49 2pkd s GLY 11 CO 0.02 -1.38 -0.14 -0.42 0.00 0.00 0.00 173.10 171.18 2pkd s ILE 12 N -3.89 3.02 0.12 0.90 -1.09 -1.26 -1.71 121.20 117.27 2pkd s ILE 12 Ca 0.16 -0.71 -0.35 0.00 -2.23 0.00 0.00 60.65 57.52 2pkd s ILE 12 Cb 0.07 -2.22 -0.16 0.00 -1.58 0.00 0.00 42.46 38.57 2pkd s ILE 12 CO -0.03 0.56 1.31 -0.11 -1.23 0.00 0.00 174.94 175.43 2pkd n LEU 13 N 2.95 1.72 0.00 2.97 7.94 -0.33 -0.77 117.00 131.48 2pkd n LEU 13 Ca -0.18 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 2pkd n LEU 13 Cb 0.52 -1.21 0.00 0.00 0.53 0.00 0.00 43.42 43.26 2pkd n LEU 13 CO 0.28 -1.06 0.00 0.61 -1.11 0.00 0.00 177.39 176.11 2pkd n GLY 14 N 2.43 3.26 0.00 -3.96 0.00 0.14 -4.51 105.19 102.55 2pkd n GLY 14 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 3.48 -4.33 1.61 -0.58 0.05 -4.18 120.64 114.69 2pkd n GLU 15 Ca 0.00 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.49 2pkd n GLU 15 Cb 0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.78 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 -0.29 4.21 -0.02 1.62 0.01 -1.26 -1.30 113.70 116.67 2pkd s SER 16 Ca 0.00 -0.71 -0.09 0.00 1.31 0.00 0.00 55.95 56.46 2pkd s SER 16 Cb 0.00 -0.67 0.01 0.00 0.21 0.00 0.00 66.02 65.57 2pkd s SER 16 CO 0.00 0.05 0.20 0.54 0.41 0.00 0.00 173.24 174.44 2pkd s VAL 17 N -2.12 0.06 -0.12 3.43 0.11 -0.74 -4.70 120.40 116.31 2pkd s VAL 17 Ca 0.28 -0.46 -0.00 0.00 -2.93 0.00 0.00 61.98 58.87 2pkd s VAL 17 Cb -0.07 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 2pkd s VAL 17 CO 0.17 -0.25 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.67 2pkd s THR 18 N -0.98 3.14 -0.18 5.04 2.01 -1.26 -1.77 115.64 121.63 2pkd s THR 18 Ca -0.11 -0.64 -0.18 0.00 0.31 0.00 0.00 61.69 61.08 2pkd s THR 18 Cb -0.05 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 2pkd s THR 18 CO 0.02 0.53 0.48 -0.36 -0.69 0.00 0.00 174.62 174.59 2pkd s PHE 19 N 0.24 3.40 -0.06 4.92 0.08 -0.17 -4.98 117.98 121.42 2pkd s PHE 19 Ca -0.08 0.75 -0.25 0.00 0.12 0.00 0.00 56.93 57.47 2pkd s PHE 19 Cb -0.15 -2.61 -0.03 0.00 -0.57 0.00 0.00 43.02 39.66 2pkd s PHE 19 CO 0.05 -0.02 0.78 -1.25 -0.10 0.00 0.00 175.22 174.68 2pkd s PRO 20 N 1.34 4.46 0.06 0.24 0.04 -1.26 -2.90 135.00 136.98 2pkd s PRO 20 Ca 0.23 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2pkd s PRO 20 Cb -0.15 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.93 2pkd s PRO 20 CO 0.09 0.01 0.00 0.28 0.04 0.00 0.00 177.00 177.42 2pkd n VAL 21 N 3.87 0.55 -3.34 -0.36 0.31 -1.26 -5.03 118.33 113.08 2pkd n VAL 21 Ca 0.01 0.18 -0.18 0.00 -0.01 0.00 0.00 64.34 64.34 2pkd n VAL 21 Cb 0.51 -1.41 0.07 0.00 -0.91 0.00 0.00 33.84 32.10 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 -3.22 -6.06 -4.71 4.52 3.02 -1.09 -4.90 115.26 102.81 2pkd n ASN 22 Ca 0.00 -0.76 -0.42 0.00 -0.03 0.00 0.00 54.58 53.37 2pkd n ASN 22 Cb 0.21 -4.90 -0.03 0.00 -0.61 0.00 0.00 39.78 34.45 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 -3.41 3.00 0.09 2.41 -1.09 -0.19 -4.92 121.20 117.09 2pkd s ILE 23 Ca 0.43 0.68 -0.02 0.00 -2.23 0.00 0.00 60.65 59.51 2pkd s ILE 23 Cb -0.07 -3.43 -0.27 0.00 -1.58 0.00 0.00 42.46 37.11 2pkd s ILE 23 CO 0.76 0.04 1.17 1.56 -1.23 0.00 0.00 174.94 177.25 2pkd h GLN 24 N 7.06 0.21 -3.18 2.79 1.08 -1.90 -3.40 115.11 117.77 2pkd h GLN 24 Ca -0.42 -0.35 -0.63 0.00 -1.45 0.00 0.00 58.65 55.80 2pkd h GLN 24 Cb 1.20 0.13 -0.41 0.00 -0.05 0.00 0.00 27.48 28.36 2pkd h GLN 24 CO 0.90 1.17 -0.66 -2.00 -0.95 0.00 0.00 178.83 177.28 2pkd s GLU 25 N -2.67 1.85 0.47 1.46 2.56 -1.26 -4.97 118.70 116.14 2pkd s GLU 25 Ca -0.03 -2.59 0.23 0.00 0.00 0.00 0.00 54.97 52.58 2pkd s GLU 25 Cb 0.08 -3.01 1.17 0.00 2.00 0.00 0.00 34.13 34.37 2pkd s GLU 25 CO 0.87 -1.17 1.97 -1.00 -0.56 0.00 0.00 175.26 175.37 2pkd h PRO 26 N 6.30 0.00 0.00 4.30 0.13 -1.84 -2.73 132.00 138.16 2pkd h PRO 26 Ca -0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2pkd h PRO 26 Cb 0.87 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.00 2pkd h PRO 26 CO 0.63 0.20 -0.01 0.00 -0.23 0.00 0.00 178.00 178.59 2pkd h ARG 27 N 0.00 0.00 -0.01 0.86 2.47 -1.93 -1.20 114.38 114.57 2pkd h ARG 27 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2pkd h ARG 27 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 2pkd h ARG 27 CO 0.03 0.01 -0.21 1.04 0.56 0.00 0.00 179.97 181.39 2pkd n GLN 28 N -3.33 1.13 -2.42 0.04 1.13 -1.03 -4.89 117.38 108.01 2pkd n GLN 28 Ca -0.03 -0.72 -0.42 0.00 -1.94 0.00 0.00 57.00 53.89 2pkd n GLN 28 Cb 0.11 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 28.94 2pkd n GLN 28 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2pkd s VAL 29 N -2.36 4.06 -0.21 5.09 1.01 -0.45 0.56 120.40 128.09 2pkd s VAL 29 Ca 0.27 1.46 -0.16 0.00 0.00 0.00 0.00 61.98 63.55 2pkd s VAL 29 Cb 0.20 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 2pkd s VAL 29 CO 0.47 0.08 -0.25 0.29 0.00 0.00 0.00 175.10 175.70 2pkd n LYS 30 N 4.29 0.54 -3.65 2.72 5.02 0.23 -4.70 118.16 122.60 2pkd n LYS 30 Ca 0.10 0.33 -0.15 0.00 -2.02 0.00 0.00 58.31 56.57 2pkd n LYS 30 Cb 0.46 -1.54 -0.08 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.60 0.01 -0.15 -0.18 2.07 -1.00 -4.47 121.20 114.88 2pkd s ILE 31 Ca -0.29 -0.10 0.02 0.00 -1.41 0.00 0.00 60.65 58.86 2pkd s ILE 31 Cb 0.07 -0.80 0.01 0.00 0.13 0.00 0.00 42.46 41.86 2pkd s ILE 31 CO 0.43 -0.06 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.58 2pkd s ILE 32 N -0.49 2.28 -0.21 2.00 1.01 -0.40 -0.05 121.20 125.34 2pkd s ILE 32 Ca -0.06 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 59.62 2pkd s ILE 32 Cb -0.03 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 2pkd s ILE 32 CO 0.04 0.54 0.05 0.00 0.00 0.00 0.00 174.94 175.57 2pkd s ALA 33 N 0.87 3.23 -0.11 9.38 0.00 -0.69 -1.58 121.76 132.86 2pkd s ALA 33 Ca -0.05 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 2pkd s ALA 33 Cb -0.15 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 2pkd s ALA 33 CO -0.02 -0.14 0.04 -1.58 0.00 0.00 0.00 175.76 174.06 2pkd s TRP 34 N 0.98 3.29 0.05 0.00 0.52 -0.19 -1.45 118.94 122.13 2pkd s TRP 34 Ca 0.03 0.26 -0.06 0.00 0.02 0.00 0.00 56.10 56.35 2pkd s TRP 34 Cb -0.14 -1.86 -0.01 0.00 -1.15 0.00 0.00 33.47 30.31 2pkd s TRP 34 CO 0.03 0.50 0.11 0.95 0.02 0.00 0.00 176.95 178.56 2pkd s THR 35 N -0.77 0.14 0.00 2.01 -4.23 -0.38 -2.33 115.64 110.08 2pkd s THR 35 Ca 0.12 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 2pkd s THR 35 Cb -0.12 -1.03 0.00 0.00 1.34 0.00 0.00 72.50 72.69 2pkd s THR 35 CO 0.03 -0.63 0.00 -0.24 -0.54 0.00 0.00 174.62 173.23 2pkd n SER 36 N 0.55 1.63 0.13 3.99 2.88 -1.26 -1.24 113.62 120.30 2pkd n SER 36 Ca -0.18 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.41 2pkd n SER 36 Cb 0.59 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 64.55 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 0.25 -5.40 -1.46 1.57 -1.95 -3.43 116.57 106.15 2pkd h LYS 37 Ca 0.00 -0.03 -0.53 0.00 -1.87 0.00 0.00 60.65 58.22 2pkd h LYS 37 Cb 0.00 -0.05 -0.14 0.00 0.08 0.00 0.00 32.23 32.12 2pkd h LYS 37 CO 0.00 0.22 -0.61 0.95 -0.57 0.00 0.00 179.45 179.45 2pkd s THR 38 N -5.11 1.50 0.71 -0.16 -4.23 -1.26 -5.12 115.64 101.97 2pkd s THR 38 Ca -0.06 -2.01 -0.16 0.00 -1.18 0.00 0.00 61.69 58.28 2pkd s THR 38 Cb 0.17 -2.85 -0.00 0.00 1.34 0.00 0.00 72.50 71.15 2pkd s THR 38 CO 0.71 -0.01 0.95 -1.54 -0.54 0.00 0.00 174.62 174.19 2pkd n SER 39 N -0.78 0.45 0.02 3.99 3.41 -1.26 -4.64 113.62 114.81 2pkd n SER 39 Ca -0.03 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 2pkd n SER 39 Cb 0.67 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 2pkd n SER 39 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2pkd n VAL 40 N -2.44 0.43 -3.54 -3.33 0.31 -0.98 -4.30 118.33 104.48 2pkd n VAL 40 Ca 0.13 0.14 -0.07 0.00 -0.01 0.00 0.00 64.34 64.53 2pkd n VAL 40 Cb 0.49 -1.12 -0.02 0.00 -0.91 0.00 0.00 33.84 32.28 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 -2.00 -1.83 0.20 3.52 0.00 -1.20 -1.20 121.76 119.24 2pkd s ALA 41 Ca 0.00 0.95 0.08 0.00 0.00 0.00 0.00 51.96 52.99 2pkd s ALA 41 Cb 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 2pkd s ALA 41 CO 0.00 -0.73 -0.03 0.71 0.00 0.00 0.00 175.76 175.71 2pkd s TYR 42 N -3.06 2.74 -0.04 0.00 2.02 -0.29 -1.02 117.35 117.70 2pkd s TYR 42 Ca 0.06 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.58 2pkd s TYR 42 Cb -0.01 -1.30 0.03 0.00 -0.40 0.00 0.00 41.96 40.28 2pkd s TYR 42 CO -0.07 0.54 -0.01 0.08 -1.57 0.00 0.00 175.55 174.52 2pkd s VAL 43 N -1.87 0.25 0.09 0.71 1.01 -0.62 -1.10 120.40 118.87 2pkd s VAL 43 Ca 0.28 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.35 2pkd s VAL 43 Cb -0.08 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 2pkd s VAL 43 CO 0.18 0.17 -0.09 0.42 0.00 0.00 0.00 175.10 175.78 2pkd s THR 44 N 1.11 0.82 0.44 3.92 -4.23 -0.59 -1.27 115.64 115.85 2pkd s THR 44 Ca -0.08 -1.65 -0.24 0.00 -1.18 0.00 0.00 61.69 58.53 2pkd s THR 44 Cb -0.14 -1.35 -0.09 0.00 1.34 0.00 0.00 72.50 72.26 2pkd s THR 44 CO -0.02 -0.63 1.15 -2.65 -0.54 0.00 0.00 174.62 171.93 2pkd n PRO 45 N 0.50 1.59 0.00 3.99 -0.02 -1.26 0.66 135.00 140.46 2pkd n PRO 45 Ca -0.16 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2pkd n PRO 45 Cb 0.58 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 1.00 1.67 0.10 -1.23 0.00 -1.22 -4.48 105.19 101.03 2pkd n GLY 46 Ca 0.09 -1.80 -0.16 0.00 0.00 0.00 0.00 46.02 44.15 2pkd n GLY 46 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pkd h ASP 47 N 0.00 0.26 -1.79 1.61 3.45 -1.97 -3.46 116.42 114.51 2pkd h ASP 47 Ca 0.00 -0.86 -0.45 0.00 0.43 0.00 0.00 57.03 56.15 2pkd h ASP 47 Cb 0.00 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 38.69 2pkd h ASP 47 CO 0.00 1.09 -0.36 -0.94 -1.57 0.00 0.00 179.24 177.47 2pkd s SER 48 N -6.48 5.85 0.40 6.45 1.04 -1.26 -5.03 113.70 114.67 2pkd s SER 48 Ca -0.16 -0.25 0.22 0.00 0.48 0.00 0.00 55.95 56.24 2pkd s SER 48 Cb 0.00 -1.17 0.54 0.00 0.10 0.00 0.00 66.02 65.49 2pkd s SER 48 CO 0.76 -0.43 1.66 -0.33 0.98 0.00 0.00 173.24 175.88 2pkd h GLU 49 N 0.94 0.00 0.00 4.02 3.07 -2.00 -3.22 114.58 117.39 2pkd h GLU 49 Ca -0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 2pkd h GLU 49 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 2pkd h GLU 49 CO 0.53 0.24 -0.14 0.25 -1.40 0.00 0.00 179.01 178.50 2pkd n THR 50 N -3.24 0.40 -3.71 1.13 -2.24 -1.26 -4.00 114.28 101.37 2pkd n THR 50 Ca 0.02 -0.21 -0.29 0.00 -2.27 0.00 0.00 64.05 61.30 2pkd n THR 50 Cb 0.54 -0.44 -0.12 0.00 -2.10 0.00 0.00 70.33 68.21 2pkd n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pkd s ALA 51 N -3.09 2.40 0.83 6.98 0.00 -1.22 -3.10 121.76 124.57 2pkd s ALA 51 Ca 0.11 -2.84 -0.12 0.00 0.00 0.00 0.00 51.96 49.10 2pkd s ALA 51 Cb 0.14 -1.91 0.10 0.00 0.00 0.00 0.00 23.12 21.45 2pkd s ALA 51 CO 0.61 -2.05 1.18 -2.14 0.00 0.00 0.00 175.76 173.35 2pkd s PRO 52 N -0.07 1.51 -0.20 0.00 0.02 -1.26 -3.40 135.00 131.59 2pkd s PRO 52 Ca 0.21 1.64 -0.07 0.00 0.02 0.00 0.00 61.00 62.81 2pkd s PRO 52 Cb -0.16 -1.77 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 2pkd s PRO 52 CO -0.06 -2.29 0.06 0.08 -0.33 0.00 0.00 177.00 174.45 2pkd s VAL 53 N -2.36 4.61 -0.20 3.83 1.01 0.21 -4.76 120.40 122.74 2pkd s VAL 53 Ca 0.70 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.51 2pkd s VAL 53 Cb -0.26 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2pkd s VAL 53 CO 0.53 0.43 0.08 -0.69 0.00 0.00 0.00 175.10 175.45 2pkd s VAL 54 N 0.66 4.80 -0.25 2.92 1.01 -1.26 -1.54 120.40 126.74 2pkd s VAL 54 Ca 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2pkd s VAL 54 Cb -0.13 -3.18 0.06 0.00 0.00 0.00 0.00 36.38 33.12 2pkd s VAL 54 CO 0.02 0.43 -0.08 -0.89 0.00 0.00 0.00 175.10 174.58 2pkd s THR 55 N 0.65 1.84 0.43 3.92 2.01 -0.26 -4.97 115.64 119.26 2pkd s THR 55 Ca 0.04 -1.45 -0.23 0.00 0.31 0.00 0.00 61.69 60.36 2pkd s THR 55 Cb -0.13 -2.05 -0.09 0.00 0.01 0.00 0.00 72.50 70.24 2pkd s THR 55 CO 0.01 -0.09 1.03 -0.69 -0.69 0.00 0.00 174.62 174.20 2pkd s VAL 56 N 1.25 3.84 -0.01 3.82 1.01 -1.26 -1.13 120.40 127.91 2pkd s VAL 56 Ca -0.07 1.30 0.02 0.00 0.00 0.00 0.00 61.98 63.23 2pkd s VAL 56 Cb -0.19 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.60 2pkd s VAL 56 CO -0.06 -0.10 0.83 0.35 0.00 0.00 0.00 175.10 176.11 2pkd n THR 57 N -0.39 0.63 -3.74 3.92 -2.24 -0.34 -4.89 114.28 107.22 2pkd n THR 57 Ca 0.06 -0.66 -0.13 0.00 -2.27 0.00 0.00 64.05 61.05 2pkd n THR 57 Cb 0.51 0.62 -0.14 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.72 -0.24 0.50 4.78 5.65 -1.25 -4.80 115.29 119.21 2pkd s HIS 58 Ca 0.03 0.62 0.29 0.00 0.25 0.00 0.00 55.06 56.24 2pkd s HIS 58 Cb 0.03 -0.03 1.38 0.00 -1.18 0.00 0.00 32.58 32.78 2pkd s HIS 58 CO 0.00 -0.20 1.85 0.07 -0.65 0.00 0.00 174.74 175.81 2pkd h ARG 59 N 7.23 0.12 -0.63 2.88 0.11 -1.93 -0.78 114.38 121.38 2pkd h ARG 59 Ca -0.42 -0.01 0.18 0.00 0.10 0.00 0.00 59.98 59.83 2pkd h ARG 59 Cb 1.15 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 32.17 2pkd h ARG 59 CO 0.40 0.08 0.46 -0.91 0.10 0.00 0.00 179.97 180.10 2pkd h ASN 60 N 0.12 0.00 -0.41 0.08 -0.26 -1.96 -2.10 115.58 111.06 2pkd h ASN 60 Ca 0.49 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.23 2pkd h ASN 60 Cb 1.72 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.98 2pkd h ASN 60 CO -0.08 0.00 0.00 -1.22 -1.06 0.00 0.00 177.43 175.07 2pkd n TYR 61 N -4.30 0.54 -1.68 1.19 4.02 -0.30 -4.99 117.16 111.64 2pkd n TYR 61 Ca 0.12 -0.41 -0.46 0.00 -0.01 0.00 0.00 57.90 57.15 2pkd n TYR 61 Cb 0.71 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.98 2pkd n TYR 61 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 2pkd n TYR 62 N 0.93 2.37 -0.95 -0.72 9.36 -0.79 -0.96 117.16 126.41 2pkd n TYR 62 Ca 0.15 0.14 0.00 0.00 3.32 0.00 0.00 57.90 61.51 2pkd n TYR 62 Cb 0.48 -2.60 0.00 0.00 -0.63 0.00 0.00 39.34 36.59 2pkd n TYR 62 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2pkd n GLU 63 N 4.35 -1.18 -0.08 2.98 -0.58 -1.26 -4.84 120.64 120.03 2pkd n GLU 63 Ca 0.18 0.29 0.03 0.00 -0.42 0.00 0.00 57.16 57.24 2pkd n GLU 63 Cb 0.31 -4.30 0.07 0.00 -0.57 0.00 0.00 31.44 26.95 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 -0.50 2.56 -4.99 3.49 1.74 -0.13 -4.93 116.66 113.90 2pkd n ARG 64 Ca 0.00 -1.68 -0.32 0.00 -0.77 0.00 0.00 57.85 55.08 2pkd n ARG 64 Cb 0.29 -1.14 -0.16 0.00 -1.02 0.00 0.00 32.46 30.43 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 -0.94 2.38 0.04 0.55 -1.09 -1.25 -0.29 121.20 120.60 2pkd s ILE 65 Ca 0.12 -0.90 0.02 0.00 -2.23 0.00 0.00 60.65 57.66 2pkd s ILE 65 Cb 0.06 -1.95 -0.02 0.00 -1.58 0.00 0.00 42.46 38.97 2pkd s ILE 65 CO 0.08 0.55 -0.08 -1.00 -1.23 0.00 0.00 174.94 173.26 2pkd s HIS 66 N 0.43 0.66 0.03 3.97 3.76 0.10 -4.99 115.29 119.25 2pkd s HIS 66 Ca -0.15 -0.48 0.06 0.00 -0.15 0.00 0.00 55.06 54.34 2pkd s HIS 66 Cb -0.17 -0.40 -0.02 0.00 1.11 0.00 0.00 32.58 33.10 2pkd s HIS 66 CO 0.06 -0.08 -0.17 0.00 -0.85 0.00 0.00 174.74 173.71 2pkd s ALA 67 N -1.33 1.41 -0.06 -1.40 0.00 -1.26 -0.80 121.76 118.33 2pkd s ALA 67 Ca -0.09 -0.88 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 2pkd s ALA 67 Cb -0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2pkd s ALA 67 CO 0.00 0.30 0.18 -0.51 0.00 0.00 0.00 175.76 175.74 2pkd s LEU 68 N -1.00 4.38 0.30 0.00 1.02 0.17 -4.63 118.68 118.92 2pkd s LEU 68 Ca 0.05 0.45 0.10 0.00 0.02 0.00 0.00 54.13 54.74 2pkd s LEU 68 Cb -0.08 -2.38 -0.05 0.00 0.02 0.00 0.00 46.19 43.70 2pkd s LEU 68 CO 0.01 0.33 -0.03 -0.83 0.02 0.00 0.00 176.35 175.84 2pkd s GLY 69 N -1.48 1.87 0.00 -3.19 0.00 -1.18 -0.16 107.32 103.18 2pkd s GLY 69 Ca 0.22 -1.82 0.18 0.00 0.00 0.00 0.00 44.72 43.30 2pkd s GLY 69 CO 0.12 -1.84 1.57 -1.55 0.00 0.00 0.00 173.10 171.40 2pkd n PRO 70 N -0.87 0.06 0.02 2.90 -0.04 -1.26 -4.85 135.00 130.97 2pkd n PRO 70 Ca -0.05 0.17 0.13 0.00 -0.04 0.00 0.00 63.50 63.71 2pkd n PRO 70 Cb 0.61 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.96 2pkd n PRO 70 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2pkd n ASN 71 N -1.45 0.38 -0.84 3.54 0.23 -1.23 -4.69 115.26 111.20 2pkd n ASN 71 Ca 0.05 0.19 -0.10 0.00 -0.53 0.00 0.00 54.58 54.19 2pkd n ASN 71 Cb 0.20 -0.17 -0.04 0.00 -2.08 0.00 0.00 39.78 37.69 2pkd n ASN 71 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2pkd n TYR 72 N -1.69 -0.08 -2.14 -2.53 4.02 0.78 -1.02 117.16 114.50 2pkd n TYR 72 Ca 0.06 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.56 2pkd n TYR 72 Cb 0.36 -2.04 -0.01 0.00 -0.02 0.00 0.00 39.34 37.64 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 -2.83 6.24 -0.09 7.72 0.01 -1.23 -4.70 114.94 120.05 2pkd s ASN 73 Ca 0.00 2.51 -0.03 0.00 -0.71 0.00 0.00 52.86 54.63 2pkd s ASN 73 Cb 0.00 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 39.00 2pkd s ASN 73 CO 0.00 -0.88 0.02 -0.22 -1.51 0.00 0.00 177.10 174.51 2pkd s LEU 74 N -2.67 3.70 -0.07 0.60 2.96 -1.14 -0.65 118.68 121.40 2pkd s LEU 74 Ca 0.60 0.19 0.05 0.00 -0.22 0.00 0.00 54.13 54.74 2pkd s LEU 74 Cb -0.34 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 2pkd s LEU 74 CO 0.43 0.38 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.93 2pkd s VAL 75 N -0.88 2.29 -0.14 1.68 1.01 0.02 -1.00 120.40 123.38 2pkd s VAL 75 Ca 0.13 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2pkd s VAL 75 Cb -0.11 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 2pkd s VAL 75 CO 0.02 0.56 -0.15 -0.63 0.00 0.00 0.00 175.10 174.91 2pkd s ILE 76 N -0.06 2.79 0.55 2.22 1.01 -0.73 -0.73 121.20 126.26 2pkd s ILE 76 Ca -0.06 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 59.91 2pkd s ILE 76 Cb -0.15 -2.17 0.05 0.00 0.01 0.00 0.00 42.46 40.20 2pkd s ILE 76 CO 0.05 0.52 0.45 -0.94 0.00 0.00 0.00 174.94 175.02 2pkd s SER 77 N 0.60 4.68 -1.38 3.58 1.04 0.60 -1.79 113.70 121.02 2pkd s SER 77 Ca -0.09 -1.21 -0.02 0.00 0.48 0.00 0.00 55.95 55.11 2pkd s SER 77 Cb -0.16 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2pkd s SER 77 CO 0.03 -1.14 0.05 -0.67 0.98 0.00 0.00 173.24 172.48 2pkd n ASP 78 N -1.83 0.52 -4.56 7.02 2.03 -0.90 -4.78 116.55 114.05 2pkd n ASP 78 Ca 0.00 -1.16 -0.41 0.00 0.52 0.00 0.00 54.79 53.74 2pkd n ASP 78 Cb 0.64 -1.43 0.01 0.00 -0.72 0.00 0.00 41.12 39.62 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 -4.28 1.84 -4.49 -2.67 4.77 -0.42 -4.55 117.00 107.20 2pkd n LEU 79 Ca -0.28 0.98 -0.24 0.00 -0.03 0.00 0.00 56.01 56.43 2pkd n LEU 79 Cb 0.62 -1.28 -0.10 0.00 -2.33 0.00 0.00 43.42 40.33 2pkd n LEU 79 CO 0.76 -1.96 -0.42 -0.13 -1.33 0.00 0.00 177.39 174.31 2pkd s ARG 80 N -1.93 1.70 0.33 3.23 1.81 -1.26 0.26 118.95 123.09 2pkd s ARG 80 Ca 0.64 -1.84 0.04 0.00 -1.72 0.00 0.00 55.73 52.85 2pkd s ARG 80 Cb -0.56 -1.61 0.65 0.00 -0.45 0.00 0.00 34.95 32.97 2pkd s ARG 80 CO 0.56 0.19 1.91 0.52 -0.68 0.00 0.00 175.30 177.80 2pkd h MET 81 N 2.18 0.86 0.00 3.54 2.86 -1.95 -0.85 114.93 121.57 2pkd h MET 81 Ca -0.41 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 2pkd h MET 81 Cb 1.25 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.71 2pkd h MET 81 CO 0.66 0.57 0.00 0.93 1.06 0.00 0.00 176.91 180.13 2pkd h GLU 82 N 0.89 0.00 0.00 1.72 3.07 -2.00 -2.77 114.58 115.48 2pkd h GLU 82 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 2pkd h GLU 82 Cb 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 2pkd h GLU 82 CO -0.16 0.00 0.00 -0.44 -1.40 0.00 0.00 179.01 177.01 2pkd h ASP 83 N 0.00 0.00 -4.09 1.42 3.32 -1.56 -3.46 116.42 112.05 2pkd h ASP 83 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2pkd h ASP 83 Cb 0.25 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.92 2pkd h ASP 83 CO 0.00 0.00 0.49 0.00 -1.72 0.00 0.00 179.24 178.01 2pkd s ALA 84 N -3.32 2.58 0.00 3.45 0.00 -1.05 -4.87 121.76 118.55 2pkd s ALA 84 Ca 0.05 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.07 2pkd s ALA 84 Cb 0.10 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2pkd s ALA 84 CO 0.50 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 175.48 2pkd n GLY 85 N 0.56 0.80 3.76 0.00 0.00 -0.34 -4.96 105.19 105.01 2pkd n GLY 85 Ca 0.13 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 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 7.14 0.06 1.61 -0.00 -1.26 -0.72 116.67 119.50 2pkd s ASP 86 Ca 0.00 1.35 0.06 0.00 -0.00 0.00 0.00 52.55 53.97 2pkd s ASP 86 Cb 0.00 -2.43 -0.03 0.00 -0.00 0.00 0.00 42.92 40.46 2pkd s ASP 86 CO 0.00 0.07 -0.18 -0.31 -0.00 0.00 0.00 175.17 174.75 2pkd s TYR 87 N -0.22 1.52 0.00 4.23 1.51 -0.01 -4.23 117.35 120.15 2pkd s TYR 87 Ca 0.35 -0.40 -0.00 0.00 -1.01 0.00 0.00 57.07 56.01 2pkd s TYR 87 Cb -0.20 -0.87 -0.00 0.00 -0.11 0.00 0.00 41.96 40.78 2pkd s TYR 87 CO 0.21 0.10 0.00 0.21 -1.11 0.00 0.00 175.55 174.96 2pkd s LYS 88 N -1.47 0.07 -0.13 -0.62 2.20 -0.38 -0.62 119.74 118.78 2pkd s LYS 88 Ca 0.04 -0.10 0.02 0.00 -0.36 0.00 0.00 55.97 55.56 2pkd s LYS 88 Cb -0.09 0.03 0.01 0.00 -1.51 0.00 0.00 37.83 36.27 2pkd s LYS 88 CO 0.02 -0.01 -0.18 0.00 -0.36 0.00 0.00 175.35 174.83 2pkd s ALA 89 N -0.26 1.93 -0.36 3.13 0.00 0.38 -1.25 121.76 125.33 2pkd s ALA 89 Ca -0.03 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 50.92 2pkd s ALA 89 Cb -0.02 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.19 2pkd s ALA 89 CO -0.00 -0.11 0.20 -0.51 0.00 0.00 0.00 175.76 175.34 2pkd s ASP 90 N 1.01 5.74 -0.27 0.00 -0.00 -0.53 -0.64 116.67 121.98 2pkd s ASP 90 Ca -0.05 -0.85 -0.11 0.00 -0.00 0.00 0.00 52.55 51.55 2pkd s ASP 90 Cb -0.15 -2.04 -0.05 0.00 -0.00 0.00 0.00 42.92 40.69 2pkd s ASP 90 CO -0.03 -0.34 0.18 -0.63 -0.00 0.00 0.00 175.17 174.35 2pkd s ILE 91 N 1.59 5.32 -0.16 0.77 1.01 0.74 -1.71 121.20 128.76 2pkd s ILE 91 Ca 0.03 0.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.82 2pkd s ILE 91 Cb -0.19 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 2pkd s ILE 91 CO 0.07 0.27 -0.04 0.20 0.00 0.00 0.00 174.94 175.44 2pkd s ASN 92 N 1.59 4.71 0.16 3.58 0.01 0.93 -2.10 114.94 123.82 2pkd s ASN 92 Ca 0.07 -0.17 0.10 0.00 -0.71 0.00 0.00 52.86 52.15 2pkd s ASN 92 Cb -0.15 -1.77 -0.04 0.00 0.41 0.00 0.00 41.25 39.69 2pkd s ASN 92 CO 0.09 0.14 -0.21 0.28 -1.51 0.00 0.00 177.10 175.90 2pkd s THR 93 N 0.51 2.01 0.02 1.60 -1.32 -1.26 0.76 115.64 117.96 2pkd s THR 93 Ca -0.03 -1.90 -0.22 0.00 -1.21 0.00 0.00 61.69 58.33 2pkd s THR 93 Cb -0.14 -1.91 -0.17 0.00 -1.51 0.00 0.00 72.50 68.77 2pkd s THR 93 CO 0.03 -0.19 1.29 1.56 -2.21 0.00 0.00 174.62 175.09 2pkd h GLN 94 N 3.38 0.27 0.00 7.08 4.20 -0.22 -3.24 115.11 126.57 2pkd h GLN 94 Ca -0.45 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.11 2pkd h GLN 94 Cb 1.20 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2pkd h GLN 94 CO 0.48 0.72 0.00 0.00 -0.67 0.00 0.00 178.83 179.36 2pkd n ALA 95 N -2.42 1.16 -3.54 3.87 0.00 -1.26 -4.77 120.51 113.55 2pkd n ALA 95 Ca -0.07 -0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 2pkd n ALA 95 Cb 0.37 -1.07 -0.16 0.00 0.00 0.00 0.00 19.45 18.58 2pkd n ALA 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pkd s ASP 96 N -3.04 1.50 0.00 0.00 1.01 -1.23 -4.97 116.67 109.94 2pkd s ASP 96 Ca 0.02 -0.24 0.00 0.00 0.71 0.00 0.00 52.55 53.04 2pkd s ASP 96 Cb 0.02 -0.69 0.00 0.00 1.01 0.00 0.00 42.92 43.26 2pkd s ASP 96 CO 0.07 -0.00 0.66 -0.81 0.21 0.00 0.00 175.17 175.30 2pkd n PRO 97 N 3.94 0.96 -3.67 8.23 -0.04 -1.26 -4.74 135.00 138.42 2pkd n PRO 97 Ca -0.23 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.08 2pkd n PRO 97 Cb 0.51 -1.29 -0.06 0.00 -0.04 0.00 0.00 33.50 32.62 2pkd n PRO 97 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2pkd n TYR 98 N -0.18 -0.50 -5.17 0.54 4.11 -1.26 -5.16 117.16 109.53 2pkd n TYR 98 Ca 0.00 -2.06 -0.32 0.00 -0.00 0.00 0.00 57.90 55.52 2pkd n TYR 98 Cb 0.15 0.19 -0.16 0.00 -0.00 0.00 0.00 39.34 39.51 2pkd n TYR 98 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 2pkd s THR 99 N -2.96 2.25 -0.14 -3.48 2.01 -1.26 -4.33 115.64 107.72 2pkd s THR 99 Ca 0.28 -0.99 -0.06 0.00 0.31 0.00 0.00 61.69 61.23 2pkd s THR 99 Cb 0.01 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 2pkd s THR 99 CO 0.20 0.57 0.06 -0.89 -0.69 0.00 0.00 174.62 173.86 2pkd s THR 100 N -0.08 4.80 -0.17 -0.82 2.01 -0.89 -4.89 115.64 115.61 2pkd s THR 100 Ca -0.05 -0.04 -0.04 0.00 0.31 0.00 0.00 61.69 61.87 2pkd s THR 100 Cb -0.14 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.23 2pkd s THR 100 CO 0.04 0.53 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.58 2pkd s THR 101 N -0.26 3.78 -0.09 -0.82 2.01 -1.26 -0.18 115.64 118.82 2pkd s THR 101 Ca 0.08 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 2pkd s THR 101 Cb -0.12 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.69 2pkd s THR 101 CO 0.01 0.48 -0.04 -0.54 -0.69 0.00 0.00 174.62 173.84 2pkd s LYS 102 N 0.57 2.98 -0.03 4.92 1.02 0.19 -4.95 119.74 124.44 2pkd s LYS 102 Ca -0.03 -0.50 0.06 0.00 0.02 0.00 0.00 55.97 55.52 2pkd s LYS 102 Cb -0.14 -2.71 -0.02 0.00 -0.52 0.00 0.00 37.83 34.44 2pkd s LYS 102 CO 0.03 0.60 -0.22 1.03 -0.92 0.00 0.00 175.35 175.87 2pkd s ARG 103 N -0.62 2.24 0.02 1.68 0.52 -1.26 -0.47 118.95 121.06 2pkd s ARG 103 Ca 0.10 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.46 2pkd s ARG 103 Cb -0.12 -2.17 -0.02 0.00 0.52 0.00 0.00 34.95 33.17 2pkd s ARG 103 CO 0.02 0.58 -0.04 0.71 0.02 0.00 0.00 175.30 176.59 2pkd s TYR 104 N -0.67 0.32 -0.18 -0.53 2.02 0.20 -1.77 117.35 116.74 2pkd s TYR 104 Ca 0.11 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.33 2pkd s TYR 104 Cb -0.10 -0.22 0.04 0.00 -0.40 0.00 0.00 41.96 41.28 2pkd s TYR 104 CO -0.00 -0.16 -0.09 1.21 -1.57 0.00 0.00 175.55 174.94 2pkd s ASN 105 N -1.36 3.06 -0.26 2.29 3.84 -0.05 -0.83 114.94 121.62 2pkd s ASN 105 Ca -0.14 -0.73 -0.11 0.00 0.21 0.00 0.00 52.86 52.09 2pkd s ASN 105 Cb -0.09 -1.10 -0.05 0.00 -0.55 0.00 0.00 41.25 39.46 2pkd s ASN 105 CO -0.01 -0.14 0.20 -0.22 -2.79 0.00 0.00 177.10 174.14 2pkd s LEU 106 N 1.50 4.07 -0.16 3.21 2.96 0.10 -1.35 118.68 129.02 2pkd s LEU 106 Ca 0.01 0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.99 2pkd s LEU 106 Cb -0.15 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 2pkd s LEU 106 CO -0.08 -0.01 -0.07 -1.10 -1.32 0.00 0.00 176.35 173.77 2pkd s GLN 107 N 1.43 3.51 -0.14 1.98 -0.21 -0.09 -1.20 119.66 124.95 2pkd s GLN 107 Ca 0.09 -0.60 0.01 0.00 0.02 0.00 0.00 55.36 54.87 2pkd s GLN 107 Cb -0.15 -2.84 -0.01 0.00 1.00 0.00 0.00 33.01 31.02 2pkd s GLN 107 CO 0.08 0.14 -0.16 0.42 -2.12 0.00 0.00 175.29 173.65 2pkd s ILE 108 N 0.61 2.73 0.13 1.08 1.01 -1.26 -1.30 121.20 124.20 2pkd s ILE 108 Ca -0.04 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 59.88 2pkd s ILE 108 Cb -0.15 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 2pkd s ILE 108 CO 0.03 0.53 0.14 -0.31 0.00 0.00 0.00 174.94 175.32 2pkd s TYR 109 N 0.55 3.22 0.20 3.97 2.02 -0.70 -4.95 117.35 121.66 2pkd s TYR 109 Ca -0.10 0.04 -0.11 0.00 -0.37 0.00 0.00 57.07 56.53 2pkd s TYR 109 Cb -0.16 -1.58 -0.08 0.00 -0.40 0.00 0.00 41.96 39.74 2pkd s TYR 109 CO 0.04 0.52 0.07 0.54 -1.57 0.00 0.00 175.55 175.16 2pkd n ARG 110 N -0.08 0.00 0.00 -0.62 1.74 -1.26 -1.18 116.66 115.26 2pkd n ARG 110 Ca -0.08 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.03 2pkd n ARG 110 Cb 0.53 -0.52 0.21 0.00 -1.02 0.00 0.00 32.46 31.67 2pkd n ARG 110 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00