#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 3.01 -0.10 6.31 1.01 -1.26 -4.64 121.20 125.53 2pkd s ILE 6 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.37 2pkd s ILE 6 Cb 0.00 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 2pkd s ILE 6 CO 0.00 -0.02 1.04 0.12 0.00 0.00 0.00 174.94 176.08 2pkd s PHE 7 N 10.01 3.46 -0.03 3.97 2.19 -0.02 -4.82 117.98 132.75 2pkd s PHE 7 Ca 0.99 1.54 -0.21 0.00 0.33 0.00 0.00 56.93 59.57 2pkd s PHE 7 Cb -0.26 -3.22 -0.05 0.00 -1.31 0.00 0.00 43.02 38.18 2pkd s PHE 7 CO 0.31 -0.39 0.62 0.99 1.83 0.00 0.00 175.22 178.58 2pkd s THR 8 N 2.09 4.96 -0.13 0.12 2.01 -1.26 -1.25 115.64 122.18 2pkd s THR 8 Ca 0.49 1.29 0.02 0.00 0.31 0.00 0.00 61.69 63.80 2pkd s THR 8 Cb -0.19 -3.96 0.01 0.00 0.01 0.00 0.00 72.50 68.38 2pkd s THR 8 CO 0.18 0.36 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.61 2pkd s VAL 9 N 0.14 1.76 -0.20 3.82 1.01 -0.63 -4.95 120.40 121.35 2pkd s VAL 9 Ca 0.32 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 2pkd s VAL 9 Cb -0.18 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 2pkd s VAL 9 CO 0.17 0.49 0.07 0.20 0.00 0.00 0.00 175.10 176.03 2pkd s ASN 10 N 1.04 5.48 0.36 3.32 0.01 -1.26 -0.72 114.94 123.16 2pkd s ASN 10 Ca -0.04 -0.01 0.08 0.00 -0.71 0.00 0.00 52.86 52.18 2pkd s ASN 10 Cb -0.15 -1.95 -0.07 0.00 0.41 0.00 0.00 41.25 39.49 2pkd s ASN 10 CO -0.04 0.11 -0.04 -0.83 -1.51 0.00 0.00 177.10 174.78 2pkd s GLY 11 N 0.77 2.26 -0.10 0.66 0.00 0.11 -4.94 107.32 106.09 2pkd s GLY 11 Ca 0.03 -2.15 0.02 0.00 0.00 0.00 0.00 44.72 42.62 2pkd s GLY 11 CO 0.02 -2.02 -0.15 -0.42 0.00 0.00 0.00 173.10 170.53 2pkd s ILE 12 N -2.74 2.92 0.13 0.90 1.09 -1.26 -0.96 121.20 121.27 2pkd s ILE 12 Ca 0.33 -0.73 -0.35 0.00 -1.10 0.00 0.00 60.65 58.80 2pkd s ILE 12 Cb 0.06 -2.19 -0.15 0.00 -1.06 0.00 0.00 42.46 39.12 2pkd s ILE 12 CO 0.16 0.55 1.46 -0.11 -0.10 0.00 0.00 174.94 176.90 2pkd n LEU 13 N 3.12 2.39 0.00 2.97 7.94 0.15 -1.72 117.00 131.86 2pkd n LEU 13 Ca -0.18 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.82 2pkd n LEU 13 Cb 0.53 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.16 2pkd n LEU 13 CO 0.29 -0.66 0.00 0.61 -1.11 0.00 0.00 177.39 176.52 2pkd n GLY 14 N 2.97 1.97 0.00 -3.96 0.00 -0.12 -4.78 105.19 101.27 2pkd n GLY 14 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 3.57 -4.48 1.61 -0.58 -0.70 -4.28 120.64 113.79 2pkd n GLU 15 Ca 0.00 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.51 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 -1.54 -0.48 0.00 0.00 177.13 175.11 2pkd s SER 16 N 0.02 3.15 -0.04 1.62 1.04 -1.26 -1.49 113.70 116.75 2pkd s SER 16 Ca 0.00 -1.20 -0.12 0.00 0.48 0.00 0.00 55.95 55.11 2pkd s SER 16 Cb 0.00 -0.24 0.02 0.00 0.10 0.00 0.00 66.02 65.90 2pkd s SER 16 CO 0.00 -0.30 0.27 0.54 0.98 0.00 0.00 173.24 174.74 2pkd s VAL 17 N -2.86 0.05 -0.17 5.02 0.11 -0.03 -4.72 120.40 117.80 2pkd s VAL 17 Ca 0.31 -0.39 -0.03 0.00 -2.93 0.00 0.00 61.98 58.93 2pkd s VAL 17 Cb 0.03 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.33 2pkd s VAL 17 CO 0.14 -0.22 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.76 2pkd s THR 18 N -0.95 3.72 -0.17 5.04 2.01 -1.26 -1.84 115.64 122.19 2pkd s THR 18 Ca -0.10 -0.41 -0.17 0.00 0.31 0.00 0.00 61.69 61.32 2pkd s THR 18 Cb -0.05 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 2pkd s THR 18 CO 0.03 0.48 0.45 -0.36 -0.69 0.00 0.00 174.62 174.52 2pkd s PHE 19 N 0.63 3.43 -0.31 4.92 0.08 0.16 -4.95 117.98 121.94 2pkd s PHE 19 Ca -0.03 0.75 -0.29 0.00 0.12 0.00 0.00 56.93 57.48 2pkd s PHE 19 Cb -0.15 -2.56 0.01 0.00 -0.57 0.00 0.00 43.02 39.76 2pkd s PHE 19 CO 0.02 0.04 1.14 -1.25 -0.10 0.00 0.00 175.22 175.08 2pkd s PRO 20 N 1.11 4.04 -0.12 0.24 0.04 -1.26 -2.08 135.00 136.96 2pkd s PRO 20 Ca 0.23 1.15 0.01 0.00 0.04 0.00 0.00 61.00 62.42 2pkd s PRO 20 Cb -0.15 -3.77 -0.08 0.00 0.04 0.00 0.00 34.50 30.54 2pkd s PRO 20 CO 0.09 -0.94 -0.11 1.33 0.04 0.00 0.00 177.00 177.41 2pkd n VAL 21 N 5.92 0.69 -3.46 -0.36 0.24 -1.26 -5.02 118.33 115.07 2pkd n VAL 21 Ca 0.13 -0.26 -0.18 0.00 -2.04 0.00 0.00 64.34 61.98 2pkd n VAL 21 Cb 0.47 -0.93 0.07 0.00 -1.47 0.00 0.00 33.84 31.98 2pkd n VAL 21 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2pkd n ASN 22 N -2.86 -2.67 -4.60 -1.34 5.03 -1.12 -4.89 115.26 102.82 2pkd n ASN 22 Ca -0.21 -0.69 -0.43 0.00 0.87 0.00 0.00 54.58 54.12 2pkd n ASN 22 Cb 0.73 -4.88 -0.02 0.00 -1.02 0.00 0.00 39.78 34.58 2pkd n ASN 22 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2pkd s ILE 23 N -3.43 3.67 -1.46 2.41 -1.09 0.33 -4.84 121.20 116.79 2pkd s ILE 23 Ca 0.08 0.68 0.26 0.00 -2.23 0.00 0.00 60.65 59.44 2pkd s ILE 23 Cb -0.01 -3.91 0.17 0.00 -1.58 0.00 0.00 42.46 37.12 2pkd s ILE 23 CO 0.75 -0.58 1.51 0.00 -1.23 0.00 0.00 174.94 175.39 2pkd n GLN 24 N 8.27 0.51 -2.84 2.79 6.02 -1.26 -4.14 117.38 126.73 2pkd n GLN 24 Ca 0.20 -0.30 -0.32 0.00 -0.01 0.00 0.00 57.00 56.57 2pkd n GLN 24 Cb 0.47 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.22 2pkd n GLN 24 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2pkd n GLU 25 N -0.98 3.97 0.30 -1.09 4.07 -1.26 -4.99 120.64 120.66 2pkd n GLU 25 Ca 0.10 -4.80 0.18 0.00 -0.06 0.00 0.00 57.16 52.57 2pkd n GLU 25 Cb 0.34 -2.32 0.96 0.00 -0.06 0.00 0.00 31.44 30.37 2pkd n GLU 25 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 2pkd h PRO 26 N 3.38 0.00 -0.00 5.31 0.13 -1.84 -1.97 132.00 137.01 2pkd h PRO 26 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 2pkd h PRO 26 Cb 0.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.57 2pkd h PRO 26 CO 0.94 0.00 -0.27 2.89 -0.23 0.00 0.00 178.00 181.33 2pkd n ARG 27 N -2.84 0.49 0.10 0.86 0.00 -1.26 -3.60 116.66 110.41 2pkd n ARG 27 Ca -0.02 -0.24 0.12 0.00 -0.00 0.00 0.00 57.85 57.70 2pkd n ARG 27 Cb 0.17 -1.49 0.03 0.00 -0.00 0.00 0.00 32.46 31.17 2pkd n ARG 27 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 2pkd h GLN 28 N 0.59 0.00 -6.20 2.89 5.75 -1.76 -3.46 115.11 112.91 2pkd h GLN 28 Ca 0.00 0.00 -0.55 0.00 -0.15 0.00 0.00 58.65 57.95 2pkd h GLN 28 Cb 0.46 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.97 2pkd h GLN 28 CO 0.00 0.00 0.17 0.54 -2.65 0.00 0.00 178.83 176.89 2pkd s VAL 29 N -3.32 4.90 -0.23 2.39 0.11 -1.24 -1.78 120.40 121.22 2pkd s VAL 29 Ca 0.01 1.63 -0.17 0.00 -2.93 0.00 0.00 61.98 60.52 2pkd s VAL 29 Cb 0.10 -4.12 -0.14 0.00 -1.53 0.00 0.00 36.38 30.69 2pkd s VAL 29 CO 0.78 0.28 -0.11 0.29 -3.33 0.00 0.00 175.10 173.00 2pkd n LYS 30 N 3.44 0.56 -3.66 1.54 5.02 0.67 -4.66 118.16 121.08 2pkd n LYS 30 Ca -0.00 0.41 -0.14 0.00 -2.02 0.00 0.00 58.31 56.55 2pkd n LYS 30 Cb 0.51 -1.61 -0.08 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.46 0.01 -0.17 -0.18 2.07 -1.16 -4.22 121.20 115.08 2pkd s ILE 31 Ca -0.32 -0.06 0.01 0.00 -1.41 0.00 0.00 60.65 58.86 2pkd s ILE 31 Cb 0.09 -0.82 0.01 0.00 0.13 0.00 0.00 42.46 41.88 2pkd s ILE 31 CO 0.51 -0.03 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.70 2pkd s ILE 32 N -0.20 2.31 -0.34 2.00 1.01 0.11 0.24 121.20 126.33 2pkd s ILE 32 Ca -0.04 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.63 2pkd s ILE 32 Cb -0.03 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.46 2pkd s ILE 32 CO 0.03 0.52 0.20 0.00 0.00 0.00 0.00 174.94 175.70 2pkd s ALA 33 N 1.14 3.36 -0.18 9.38 0.00 -0.17 0.69 121.76 135.98 2pkd s ALA 33 Ca 0.01 -1.50 -0.12 0.00 0.00 0.00 0.00 51.96 50.35 2pkd s ALA 33 Cb -0.14 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 20.37 2pkd s ALA 33 CO -0.08 -1.09 0.20 -1.58 0.00 0.00 0.00 175.76 173.22 2pkd s TRP 34 N 1.63 3.43 0.12 0.00 0.52 0.18 -0.54 118.94 124.28 2pkd s TRP 34 Ca 0.04 0.45 0.05 0.00 0.02 0.00 0.00 56.10 56.66 2pkd s TRP 34 Cb -0.18 -2.24 -0.04 0.00 -1.15 0.00 0.00 33.47 29.86 2pkd s TRP 34 CO 0.08 0.26 -0.12 0.95 0.02 0.00 0.00 176.95 178.14 2pkd s THR 35 N 0.42 1.19 0.00 2.01 -4.23 -0.55 -0.96 115.64 113.52 2pkd s THR 35 Ca 0.12 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 2pkd s THR 35 Cb -0.12 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.17 2pkd s THR 35 CO 0.01 -0.53 0.00 -0.24 -0.54 0.00 0.00 174.62 173.31 2pkd n SER 36 N 0.36 0.77 -0.30 3.99 2.88 -1.26 -0.91 113.62 119.16 2pkd n SER 36 Ca -0.14 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.35 2pkd n SER 36 Cb 0.58 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.13 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 1.20 -6.04 -1.46 1.57 -1.95 -3.44 116.57 106.46 2pkd h LYS 37 Ca 0.00 -0.18 -0.54 0.00 -1.87 0.00 0.00 60.65 58.06 2pkd h LYS 37 Cb 0.00 -0.21 -0.07 0.00 0.08 0.00 0.00 32.23 32.03 2pkd h LYS 37 CO 0.00 0.93 -0.47 0.95 -0.57 0.00 0.00 179.45 180.29 2pkd s THR 38 N -5.65 2.63 0.73 -0.16 -4.23 -1.26 -5.11 115.64 102.58 2pkd s THR 38 Ca -0.12 -1.58 -0.16 0.00 -1.18 0.00 0.00 61.69 58.65 2pkd s THR 38 Cb 0.16 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 71.03 2pkd s THR 38 CO 0.83 -0.05 1.11 -1.54 -0.54 0.00 0.00 174.62 174.43 2pkd n SER 39 N -1.31 1.01 0.02 3.99 3.41 -1.26 -4.62 113.62 114.85 2pkd n SER 39 Ca -0.00 0.68 -0.01 0.00 -0.26 0.00 0.00 58.87 59.28 2pkd n SER 39 Cb 0.63 -1.47 -0.00 0.00 -0.26 0.00 0.00 64.21 63.10 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 -2.59 0.67 -3.50 -3.33 0.31 -0.13 -4.30 118.33 105.46 2pkd n VAL 40 Ca 0.14 0.23 -0.09 0.00 -0.01 0.00 0.00 64.34 64.61 2pkd n VAL 40 Cb 0.49 -1.40 -0.02 0.00 -0.91 0.00 0.00 33.84 32.01 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 -2.13 -1.80 0.03 3.52 0.00 -1.12 -1.09 121.76 119.18 2pkd s ALA 41 Ca -0.02 0.97 0.05 0.00 0.00 0.00 0.00 51.96 52.96 2pkd s ALA 41 Cb 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 2pkd s ALA 41 CO 0.03 -0.68 -0.09 0.71 0.00 0.00 0.00 175.76 175.74 2pkd s TYR 42 N -3.09 2.81 -0.11 0.00 1.51 0.46 -0.65 117.35 118.28 2pkd s TYR 42 Ca 0.04 -0.10 0.02 0.00 -1.01 0.00 0.00 57.07 56.02 2pkd s TYR 42 Cb -0.01 -1.55 0.01 0.00 -0.11 0.00 0.00 41.96 40.31 2pkd s TYR 42 CO -0.09 0.37 -0.16 0.08 -1.11 0.00 0.00 175.55 174.64 2pkd s VAL 43 N -1.04 1.58 0.17 0.71 1.01 0.22 -0.64 120.40 122.40 2pkd s VAL 43 Ca 0.18 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.50 2pkd s VAL 43 Cb -0.11 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 2pkd s VAL 43 CO 0.09 0.46 -0.05 0.28 0.00 0.00 0.00 175.10 175.87 2pkd s THR 44 N 0.93 1.04 0.14 3.92 -1.32 -0.24 0.08 115.64 120.18 2pkd s THR 44 Ca -0.07 -2.04 -0.30 0.00 -1.21 0.00 0.00 61.69 58.07 2pkd s THR 44 Cb -0.15 -2.04 -0.07 0.00 -1.51 0.00 0.00 72.50 68.73 2pkd s THR 44 CO -0.01 -0.58 1.14 -2.84 -2.21 0.00 0.00 174.62 170.11 2pkd s PRO 45 N -3.81 4.53 0.00 7.08 0.02 -1.26 -1.07 135.00 140.49 2pkd s PRO 45 Ca 0.21 1.74 0.00 0.00 0.02 0.00 0.00 61.00 62.97 2pkd s PRO 45 Cb 0.04 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 31.26 2pkd s PRO 45 CO 0.03 -0.04 0.00 0.41 -0.33 0.00 0.00 177.00 177.07 2pkd n GLY 46 N 2.41 1.18 0.65 0.52 0.00 -1.26 -4.70 105.19 103.99 2pkd n GLY 46 Ca 0.05 -1.49 0.06 0.00 0.00 0.00 0.00 46.02 44.64 2pkd n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pkd n ASP 47 N 0.00 1.67 -0.01 1.61 5.68 -1.26 -4.90 116.55 119.34 2pkd n ASP 47 Ca 0.00 -3.69 0.00 0.00 -0.50 0.00 0.00 54.79 50.61 2pkd n ASP 47 Cb 0.00 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 2pkd n ASP 47 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2pkd n SER 48 N -0.99 1.54 0.04 -1.12 7.64 -1.26 -4.98 113.62 114.49 2pkd n SER 48 Ca 0.18 -1.81 -0.01 0.00 1.01 0.00 0.00 58.87 58.24 2pkd n SER 48 Cb 0.73 -0.02 -0.08 0.00 -1.01 0.00 0.00 64.21 63.84 2pkd n SER 48 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2pkd h GLU 49 N 0.00 0.00 -2.16 1.43 4.39 -2.02 -3.28 114.58 112.95 2pkd h GLU 49 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2pkd h GLU 49 Cb 0.64 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2pkd h GLU 49 CO 0.00 0.36 0.02 -2.37 -1.16 0.00 0.00 179.01 175.86 2pkd n THR 50 N -2.96 1.07 -3.11 1.13 5.66 -1.26 -3.76 114.28 111.05 2pkd n THR 50 Ca -0.08 -0.37 -0.18 0.00 -3.05 0.00 0.00 64.05 60.37 2pkd n THR 50 Cb 0.85 -1.38 -0.05 0.00 -1.55 0.00 0.00 70.33 68.20 2pkd n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2pkd n ALA 51 N 2.06 0.98 -1.35 1.79 0.00 -1.24 -4.08 120.51 118.67 2pkd n ALA 51 Ca 0.06 -2.38 -0.35 0.00 0.00 0.00 0.00 53.44 50.77 2pkd n ALA 51 Cb 0.29 -1.04 0.10 0.00 0.00 0.00 0.00 19.45 18.81 2pkd n ALA 51 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2pkd n PRO 52 N 2.51 0.54 -3.28 0.00 -0.02 -1.25 -4.30 135.00 129.20 2pkd n PRO 52 Ca 0.23 0.25 -0.39 0.00 -2.02 0.00 0.00 63.50 61.57 2pkd n PRO 52 Cb 0.53 -2.44 -0.07 0.00 -0.02 0.00 0.00 33.50 31.49 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 -1.84 5.13 -0.25 -1.45 1.01 -0.23 -4.74 120.40 118.04 2pkd s VAL 53 Ca 0.77 0.89 -0.09 0.00 0.00 0.00 0.00 61.98 63.54 2pkd s VAL 53 Cb -0.33 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2pkd s VAL 53 CO 0.47 0.20 0.13 -0.69 0.00 0.00 0.00 175.10 175.21 2pkd s VAL 54 N 1.51 4.90 -0.25 2.92 1.01 -1.26 -1.08 120.40 128.15 2pkd s VAL 54 Ca 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 2pkd s VAL 54 Cb -0.15 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.94 2pkd s VAL 54 CO 0.09 0.33 -0.01 -0.89 0.00 0.00 0.00 175.10 174.62 2pkd s THR 55 N 1.40 3.41 0.10 3.92 2.01 0.18 -4.98 115.64 121.68 2pkd s THR 55 Ca 0.06 -0.70 -0.23 0.00 0.31 0.00 0.00 61.69 61.14 2pkd s THR 55 Cb -0.15 -2.67 -0.07 0.00 0.01 0.00 0.00 72.50 69.63 2pkd s THR 55 CO 0.06 0.26 0.69 -0.69 -0.69 0.00 0.00 174.62 174.24 2pkd s VAL 56 N 1.44 4.61 -0.01 3.82 1.01 -1.26 -0.41 120.40 129.61 2pkd s VAL 56 Ca 0.03 1.48 0.01 0.00 0.00 0.00 0.00 61.98 63.50 2pkd s VAL 56 Cb -0.16 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.21 2pkd s VAL 56 CO -0.02 0.49 0.91 0.35 0.00 0.00 0.00 175.10 176.83 2pkd n THR 57 N 1.97 0.83 -3.74 3.92 -2.24 -0.25 -4.95 114.28 109.83 2pkd n THR 57 Ca -0.07 -0.85 -0.12 0.00 -2.27 0.00 0.00 64.05 60.74 2pkd n THR 57 Cb 0.50 0.56 -0.11 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.88 -0.43 0.38 4.78 5.65 -1.25 -4.82 115.29 118.72 2pkd s HIS 58 Ca 0.02 0.99 0.13 0.00 0.25 0.00 0.00 55.06 56.45 2pkd s HIS 58 Cb 0.02 0.15 0.94 0.00 -1.18 0.00 0.00 32.58 32.51 2pkd s HIS 58 CO 0.00 -0.23 1.83 0.07 -0.65 0.00 0.00 174.74 175.76 2pkd h ARG 59 N 6.23 0.54 -0.82 2.88 -0.00 -1.93 -0.66 114.38 120.62 2pkd h ARG 59 Ca -0.31 -0.03 0.24 0.00 -0.00 0.00 0.00 59.98 59.87 2pkd h ARG 59 Cb 1.18 -0.12 -0.03 0.00 -0.00 0.00 0.00 29.97 31.00 2pkd h ARG 59 CO 0.31 0.36 0.59 -0.91 -0.00 0.00 0.00 179.97 180.31 2pkd h ASN 60 N 0.56 0.01 -0.09 0.08 -0.26 -1.96 -2.61 115.58 111.31 2pkd h ASN 60 Ca 0.50 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.24 2pkd h ASN 60 Cb 1.04 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.30 2pkd h ASN 60 CO -0.24 0.00 0.00 -1.22 -1.06 0.00 0.00 177.43 174.91 2pkd n TYR 61 N -4.29 0.09 -1.67 1.19 4.02 -0.26 -4.97 117.16 111.27 2pkd n TYR 61 Ca 0.17 -0.07 -0.48 0.00 -0.01 0.00 0.00 57.90 57.51 2pkd n TYR 61 Cb 0.89 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 40.16 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 0.95 2.23 -0.89 -0.72 0.53 -0.98 -1.29 117.16 116.99 2pkd n TYR 62 Ca 0.11 0.18 0.00 0.00 -1.02 0.00 0.00 57.90 57.17 2pkd n TYR 62 Cb 0.43 -2.58 0.00 0.00 -1.03 0.00 0.00 39.34 36.16 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 4.98 0.00 -0.14 -0.72 1.02 -1.26 -4.85 120.64 119.67 2pkd n GLU 63 Ca 0.20 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.41 2pkd n GLU 63 Cb 0.27 -2.87 0.14 0.00 -0.02 0.00 0.00 31.44 28.97 2pkd n GLU 63 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2pkd n ARG 64 N -2.00 2.20 -4.71 3.49 1.74 -0.41 -4.96 116.66 112.00 2pkd n ARG 64 Ca 0.00 -1.87 -0.32 0.00 -0.77 0.00 0.00 57.85 54.88 2pkd n ARG 64 Cb 0.00 -1.30 -0.12 0.00 -1.02 0.00 0.00 32.46 30.02 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 -1.03 3.23 -0.15 0.55 -1.09 -1.25 -1.48 121.20 119.97 2pkd s ILE 65 Ca 0.24 -0.79 -0.13 0.00 -2.23 0.00 0.00 60.65 57.73 2pkd s ILE 65 Cb 0.13 -2.32 0.04 0.00 -1.58 0.00 0.00 42.46 38.73 2pkd s ILE 65 CO 0.18 0.50 0.39 -1.00 -1.23 0.00 0.00 174.94 173.78 2pkd s HIS 66 N -0.84 -0.44 0.22 3.97 3.76 -0.17 -5.00 115.29 116.79 2pkd s HIS 66 Ca 0.14 1.06 0.09 0.00 -0.15 0.00 0.00 55.06 56.20 2pkd s HIS 66 Cb -0.11 0.15 -0.04 0.00 1.11 0.00 0.00 32.58 33.69 2pkd s HIS 66 CO 0.03 -0.21 -0.04 0.00 -0.85 0.00 0.00 174.74 173.67 2pkd s ALA 67 N 0.25 3.08 -0.11 -1.40 0.00 -1.26 -0.37 121.76 121.95 2pkd s ALA 67 Ca -0.00 -1.55 -0.01 0.00 0.00 0.00 0.00 51.96 50.39 2pkd s ALA 67 Cb -0.03 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 2pkd s ALA 67 CO 0.00 0.37 -0.07 -0.51 0.00 0.00 0.00 175.76 175.55 2pkd s LEU 68 N -3.27 3.13 0.11 0.00 1.02 0.83 -4.67 118.68 115.83 2pkd s LEU 68 Ca 0.28 -0.11 0.07 0.00 0.02 0.00 0.00 54.13 54.39 2pkd s LEU 68 Cb -0.08 -1.71 -0.04 0.00 0.02 0.00 0.00 46.19 44.38 2pkd s LEU 68 CO 0.18 0.26 -0.06 -0.83 0.02 0.00 0.00 176.35 175.91 2pkd s GLY 69 N -0.19 1.83 -0.05 -3.19 0.00 -1.26 -0.63 107.32 103.84 2pkd s GLY 69 Ca 0.02 -1.22 0.16 0.00 0.00 0.00 0.00 44.72 43.68 2pkd s GLY 69 CO 0.03 -1.21 1.43 -1.55 0.00 0.00 0.00 173.10 171.80 2pkd n PRO 70 N 0.57 2.75 0.03 2.90 -0.04 -1.26 -4.87 135.00 135.09 2pkd n PRO 70 Ca -0.12 -2.15 0.13 0.00 -0.04 0.00 0.00 63.50 61.31 2pkd n PRO 70 Cb 0.52 -1.61 0.33 0.00 -0.04 0.00 0.00 33.50 32.71 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 1.00 0.49 -0.54 3.54 0.23 -1.21 -4.70 115.26 114.07 2pkd n ASN 71 Ca 0.20 0.16 -0.07 0.00 -0.53 0.00 0.00 54.58 54.34 2pkd n ASN 71 Cb 0.61 -0.11 -0.03 0.00 -2.08 0.00 0.00 39.78 38.17 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 -1.80 0.00 -1.73 -2.53 4.02 0.20 -0.51 117.16 114.81 2pkd n TYR 72 Ca 0.05 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.54 2pkd n TYR 72 Cb 0.38 -1.76 0.02 0.00 -0.02 0.00 0.00 39.34 37.97 2pkd n TYR 72 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2pkd n ASN 73 N -0.17 2.81 -4.47 7.72 3.02 -1.17 -4.65 115.26 118.35 2pkd n ASN 73 Ca -0.07 1.08 -0.33 0.00 -0.03 0.00 0.00 54.58 55.23 2pkd n ASN 73 Cb 0.34 -1.55 -0.13 0.00 -0.61 0.00 0.00 39.78 37.84 2pkd n ASN 73 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2pkd s LEU 74 N -2.35 3.08 -0.17 3.41 2.96 -0.89 -0.12 118.68 124.62 2pkd s LEU 74 Ca 0.63 -0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 54.31 2pkd s LEU 74 Cb -0.47 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 2pkd s LEU 74 CO 0.56 0.20 0.03 -0.69 -1.32 0.00 0.00 176.35 175.12 2pkd s VAL 75 N 0.18 4.46 -0.15 1.68 1.01 0.50 0.36 120.40 128.44 2pkd s VAL 75 Ca -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 2pkd s VAL 75 Cb -0.14 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 2pkd s VAL 75 CO 0.04 0.48 -0.06 -0.63 0.00 0.00 0.00 175.10 174.93 2pkd s ILE 76 N 0.28 3.65 0.39 2.22 1.01 -0.76 -1.00 121.20 126.99 2pkd s ILE 76 Ca 0.01 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.30 2pkd s ILE 76 Cb -0.13 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 2pkd s ILE 76 CO 0.01 0.49 0.17 -0.94 0.00 0.00 0.00 174.94 174.68 2pkd s SER 77 N 0.45 4.50 -1.12 3.58 1.04 -0.55 -0.85 113.70 120.75 2pkd s SER 77 Ca -0.05 -0.98 -0.25 0.00 0.48 0.00 0.00 55.95 55.15 2pkd s SER 77 Cb -0.15 -0.54 0.02 0.00 0.10 0.00 0.00 66.02 65.45 2pkd s SER 77 CO 0.03 -0.47 0.70 -0.67 0.98 0.00 0.00 173.24 173.81 2pkd n ASP 78 N -1.22 -4.67 -4.76 7.02 2.03 -0.55 -4.81 116.55 109.59 2pkd n ASP 78 Ca -0.01 -1.15 -0.41 0.00 0.52 0.00 0.00 54.79 53.74 2pkd n ASP 78 Cb 0.63 -2.21 -0.02 0.00 -0.72 0.00 0.00 41.12 38.80 2pkd n ASP 78 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2pkd s LEU 79 N -6.74 4.43 0.32 -2.67 1.43 -0.69 -4.75 118.68 110.02 2pkd s LEU 79 Ca 0.40 2.62 0.08 0.00 -1.03 0.00 0.00 54.13 56.21 2pkd s LEU 79 Cb -0.20 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 2pkd s LEU 79 CO 0.93 -0.52 0.16 -0.13 0.23 0.00 0.00 176.35 177.01 2pkd s ARG 80 N -1.43 2.49 0.37 1.70 0.52 -1.26 -0.94 118.95 120.39 2pkd s ARG 80 Ca 0.51 -1.43 0.07 0.00 -0.52 0.00 0.00 55.73 54.35 2pkd s ARG 80 Cb -0.39 -2.27 0.77 0.00 0.52 0.00 0.00 34.95 33.57 2pkd s ARG 80 CO 0.49 0.17 1.96 0.52 0.02 0.00 0.00 175.30 178.46 2pkd h MET 81 N 1.53 0.71 0.00 3.54 2.86 -1.96 -1.62 114.93 119.99 2pkd h MET 81 Ca -0.44 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 2pkd h MET 81 Cb 1.25 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.75 2pkd h MET 81 CO 0.62 0.47 0.00 0.39 1.06 0.00 0.00 176.91 179.44 2pkd n GLU 82 N -4.48 0.02 0.24 1.72 4.71 -1.26 -2.17 120.64 119.41 2pkd n GLU 82 Ca 0.11 0.19 0.15 0.00 -0.01 0.00 0.00 57.16 57.59 2pkd n GLU 82 Cb 0.25 -1.50 0.49 0.00 -1.01 0.00 0.00 31.44 29.66 2pkd n GLU 82 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 2pkd h ASP 83 N 0.00 0.00 -3.90 1.62 3.32 -1.69 -3.46 116.42 112.31 2pkd h ASP 83 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 2pkd h ASP 83 Cb 0.30 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.98 2pkd h ASP 83 CO 0.00 0.00 0.63 0.00 -1.72 0.00 0.00 179.24 178.15 2pkd n ALA 84 N -2.05 1.75 0.00 3.45 0.00 -0.92 -4.89 120.51 117.84 2pkd n ALA 84 Ca 0.02 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2pkd n ALA 84 Cb 0.38 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.47 2pkd n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pkd n GLY 85 N 0.68 0.91 3.71 0.00 0.00 0.04 -4.96 105.19 105.57 2pkd n GLY 85 Ca 0.07 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 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 7.01 0.19 1.61 -0.00 -1.26 -0.10 116.67 120.11 2pkd s ASP 86 Ca 0.00 1.21 0.09 0.00 -0.00 0.00 0.00 52.55 53.85 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 -0.16 -0.06 -0.31 -0.00 0.00 0.00 175.17 174.63 2pkd s TYR 87 N 1.00 2.69 -0.01 4.23 1.51 -0.01 -4.30 117.35 122.46 2pkd s TYR 87 Ca 0.38 -0.20 0.01 0.00 -1.01 0.00 0.00 57.07 56.26 2pkd s TYR 87 Cb -0.18 -1.30 0.00 0.00 -0.11 0.00 0.00 41.96 40.37 2pkd s TYR 87 CO 0.18 0.52 -0.04 0.15 -1.11 0.00 0.00 175.55 175.26 2pkd s LYS 88 N -2.93 0.34 -0.15 -0.62 1.02 -0.09 -1.27 119.74 116.05 2pkd s LYS 88 Ca 0.26 -0.12 -0.01 0.00 0.02 0.00 0.00 55.97 56.12 2pkd s LYS 88 Cb -0.09 -0.35 -0.01 0.00 -0.52 0.00 0.00 37.83 36.86 2pkd s LYS 88 CO 0.16 0.06 -0.11 0.00 -0.92 0.00 0.00 175.35 174.54 2pkd s ALA 89 N 0.07 2.65 -0.38 5.17 0.00 0.16 -1.48 121.76 127.95 2pkd s ALA 89 Ca -0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 2pkd s ALA 89 Cb -0.03 -1.33 0.05 0.00 0.00 0.00 0.00 23.12 21.81 2pkd s ALA 89 CO -0.00 0.06 0.20 -0.51 0.00 0.00 0.00 175.76 175.51 2pkd s ASP 90 N 0.66 5.58 -0.35 0.00 -0.00 0.29 -1.00 116.67 121.86 2pkd s ASP 90 Ca -0.06 -1.26 -0.12 0.00 -0.00 0.00 0.00 52.55 51.11 2pkd s ASP 90 Cb -0.15 -1.97 -0.00 0.00 -0.00 0.00 0.00 42.92 40.80 2pkd s ASP 90 CO 0.02 -0.44 0.22 -0.63 -0.00 0.00 0.00 175.17 174.35 2pkd s ILE 91 N 1.46 4.99 -0.15 0.77 1.01 0.15 -1.00 121.20 128.42 2pkd s ILE 91 Ca 0.01 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 2pkd s ILE 91 Cb -0.21 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 2pkd s ILE 91 CO 0.04 -0.07 0.19 0.20 0.00 0.00 0.00 174.94 175.29 2pkd s ASN 92 N 1.66 6.35 0.06 3.58 0.01 0.14 -1.00 114.94 125.75 2pkd s ASN 92 Ca 0.05 0.41 0.04 0.00 -0.71 0.00 0.00 52.86 52.65 2pkd s ASN 92 Cb -0.18 -2.12 -0.03 0.00 0.41 0.00 0.00 41.25 39.34 2pkd s ASN 92 CO 0.09 0.24 -0.11 -0.89 -1.51 0.00 0.00 177.10 174.91 2pkd s THR 93 N -0.12 0.88 0.15 1.60 2.01 0.51 -0.24 115.64 120.43 2pkd s THR 93 Ca 0.13 -1.28 -0.11 0.00 0.31 0.00 0.00 61.69 60.74 2pkd s THR 93 Cb -0.12 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 2pkd s THR 93 CO 0.02 -0.33 1.54 1.56 -0.69 0.00 0.00 174.62 176.71 2pkd h GLN 94 N 4.25 0.92 -6.20 4.92 1.08 -1.65 -3.40 115.11 115.03 2pkd h GLN 94 Ca -0.38 -0.38 -0.50 0.00 -1.45 0.00 0.00 58.65 55.93 2pkd h GLN 94 Cb 1.19 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 28.54 2pkd h GLN 94 CO 0.42 1.04 -0.52 0.00 -0.95 0.00 0.00 178.83 178.82 2pkd s ALA 95 N -4.70 3.60 0.05 3.87 0.00 -1.26 -4.90 121.76 118.42 2pkd s ALA 95 Ca -0.12 -1.44 -0.31 0.00 0.00 0.00 0.00 51.96 50.10 2pkd s ALA 95 Cb 0.11 -1.28 -0.16 0.00 0.00 0.00 0.00 23.12 21.79 2pkd s ALA 95 CO 0.85 0.23 0.76 -3.47 0.00 0.00 0.00 175.76 174.14 2pkd n ASP 96 N -1.19 -0.33 -0.50 0.00 -0.08 -1.26 -1.18 116.55 112.02 2pkd n ASP 96 Ca -0.07 0.97 0.10 0.00 -1.51 0.00 0.00 54.79 54.27 2pkd n ASP 96 Cb 0.58 -0.78 0.36 0.00 2.34 0.00 0.00 41.12 43.62 2pkd n ASP 96 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2pkd n PRO 97 N 1.13 1.65 0.00 -0.67 -0.05 -1.26 -5.03 135.00 130.77 2pkd n PRO 97 Ca 0.16 -0.98 0.00 0.00 -0.05 0.00 0.00 63.50 62.63 2pkd n PRO 97 Cb 0.11 -1.36 0.00 0.00 -0.05 0.00 0.00 33.50 32.20 2pkd n PRO 97 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 2pkd n TYR 98 N 0.22 0.00 -5.03 0.54 4.01 -0.33 -4.83 117.16 111.74 2pkd n TYR 98 Ca 0.15 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.61 2pkd n TYR 98 Cb 0.29 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.16 2pkd n TYR 98 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2pkd s THR 99 N -0.03 1.71 -0.09 -0.72 2.01 -1.26 -0.36 115.64 116.89 2pkd s THR 99 Ca 0.00 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.15 2pkd s THR 99 Cb 0.00 -1.45 0.01 0.00 0.01 0.00 0.00 72.50 71.07 2pkd s THR 99 CO 0.00 0.48 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.33 2pkd s THR 100 N -0.14 1.72 -0.23 -0.82 2.01 -0.17 -4.94 115.64 113.07 2pkd s THR 100 Ca -0.01 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.10 2pkd s THR 100 Cb -0.12 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 2pkd s THR 100 CO 0.02 0.49 0.06 -0.89 -0.69 0.00 0.00 174.62 173.61 2pkd s THR 101 N 0.55 4.39 -0.19 -0.82 2.01 -1.26 0.31 115.64 120.63 2pkd s THR 101 Ca -0.15 -0.15 -0.07 0.00 0.31 0.00 0.00 61.69 61.63 2pkd s THR 101 Cb -0.17 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2pkd s THR 101 CO 0.05 0.37 0.05 -0.54 -0.69 0.00 0.00 174.62 173.86 2pkd s LYS 102 N 1.31 3.87 -0.09 4.92 1.02 -0.17 -4.96 119.74 125.65 2pkd s LYS 102 Ca 0.05 -0.40 -0.01 0.00 0.02 0.00 0.00 55.97 55.64 2pkd s LYS 102 Cb -0.15 -3.18 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 2pkd s LYS 102 CO 0.03 0.20 -0.04 1.03 -0.92 0.00 0.00 175.35 175.65 2pkd s ARG 103 N 0.56 2.97 0.05 1.68 0.52 -1.26 -0.66 118.95 122.81 2pkd s ARG 103 Ca 0.02 -0.49 0.01 0.00 -0.52 0.00 0.00 55.73 54.75 2pkd s ARG 103 Cb -0.13 -2.71 -0.03 0.00 0.52 0.00 0.00 34.95 32.59 2pkd s ARG 103 CO 0.01 0.61 -0.06 0.71 0.02 0.00 0.00 175.30 176.60 2pkd s TYR 104 N -0.66 0.62 -0.21 -0.53 2.02 -0.40 -0.84 117.35 117.36 2pkd s TYR 104 Ca 0.10 -0.72 0.01 0.00 -0.37 0.00 0.00 57.07 56.09 2pkd s TYR 104 Cb -0.12 -0.39 0.03 0.00 -0.40 0.00 0.00 41.96 41.08 2pkd s TYR 104 CO 0.02 -0.17 -0.16 1.21 -1.57 0.00 0.00 175.55 174.87 2pkd s ASN 105 N -2.19 3.57 -0.33 2.29 3.84 -0.38 -0.83 114.94 120.91 2pkd s ASN 105 Ca -0.02 -0.83 -0.22 0.00 0.21 0.00 0.00 52.86 51.99 2pkd s ASN 105 Cb -0.03 -1.52 0.00 0.00 -0.55 0.00 0.00 41.25 39.15 2pkd s ASN 105 CO -0.03 -0.05 0.72 -0.22 -2.79 0.00 0.00 177.10 174.73 2pkd s LEU 106 N 1.25 4.14 -0.15 3.21 2.96 0.86 -1.60 118.68 129.36 2pkd s LEU 106 Ca 0.01 0.42 -0.16 0.00 -0.22 0.00 0.00 54.13 54.19 2pkd s LEU 106 Cb -0.15 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 2pkd s LEU 106 CO -0.10 -0.61 0.37 -1.10 -1.32 0.00 0.00 176.35 173.59 2pkd s GLN 107 N 2.87 4.28 -0.16 1.98 -0.21 0.10 -0.78 119.66 127.75 2pkd s GLN 107 Ca 0.29 0.24 0.00 0.00 0.02 0.00 0.00 55.36 55.91 2pkd s GLN 107 Cb -0.14 -3.44 -0.00 0.00 1.00 0.00 0.00 33.01 30.43 2pkd s GLN 107 CO 0.14 0.18 -0.15 0.42 -2.12 0.00 0.00 175.29 173.76 2pkd s ILE 108 N 0.61 2.67 -0.09 1.08 1.01 -1.26 0.09 121.20 125.30 2pkd s ILE 108 Ca 0.20 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.11 2pkd s ILE 108 Cb -0.14 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 2pkd s ILE 108 CO 0.07 0.51 -0.17 -0.31 0.00 0.00 0.00 174.94 175.04 2pkd s TYR 109 N 0.88 2.69 -0.48 3.97 2.02 -0.14 -4.90 117.35 121.39 2pkd s TYR 109 Ca -0.04 -0.60 -0.25 0.00 -0.37 0.00 0.00 57.07 55.81 2pkd s TYR 109 Cb -0.15 -1.73 0.03 0.00 -0.40 0.00 0.00 41.96 39.70 2pkd s TYR 109 CO -0.01 -0.15 0.93 0.50 -1.57 0.00 0.00 175.55 175.25 2pkd s ARG 110 N 0.01 3.50 0.00 -0.62 3.52 -1.26 0.34 118.95 124.43 2pkd s ARG 110 Ca -0.06 0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.63 2pkd s ARG 110 Cb -0.15 -3.95 0.00 0.00 -1.56 0.00 0.00 34.95 29.29 2pkd s ARG 110 CO 0.05 -1.27 0.23 0.54 -0.81 0.00 0.00 175.30 174.03