#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pkd s SER 4 N 0.00 -0.91 0.00 1.67 0.01 -1.26 -5.01 113.70 108.20 2pkd s SER 4 Ca 0.00 1.43 0.00 0.00 1.31 0.00 0.00 55.95 58.69 2pkd s SER 4 Cb 0.00 1.54 0.00 0.00 0.21 0.00 0.00 66.02 67.77 2pkd s SER 4 CO 0.00 -0.23 0.54 -0.62 0.41 0.00 0.00 173.24 173.34 2pkd n GLU 5 N 4.65 0.55 -2.29 12.44 1.02 -1.26 -4.80 120.64 130.94 2pkd n GLU 5 Ca -0.18 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.54 2pkd n GLU 5 Cb 0.56 -1.23 -0.03 0.00 -0.02 0.00 0.00 31.44 30.72 2pkd n GLU 5 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2pkd s ILE 6 N 0.42 3.83 -0.32 -3.67 1.01 -1.26 -4.54 121.20 116.67 2pkd s ILE 6 Ca 0.00 1.23 -0.17 0.00 0.00 0.00 0.00 60.65 61.71 2pkd s ILE 6 Cb 0.00 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 2pkd s ILE 6 CO 0.00 0.02 0.44 0.12 0.00 0.00 0.00 174.94 175.52 2pkd s PHE 7 N 2.11 3.21 0.00 3.97 2.19 -0.14 -4.90 117.98 124.42 2pkd s PHE 7 Ca 0.62 0.20 -0.28 0.00 0.33 0.00 0.00 56.93 57.80 2pkd s PHE 7 Cb -0.30 -2.77 -0.04 0.00 -1.31 0.00 0.00 43.02 38.60 2pkd s PHE 7 CO 0.26 -0.43 0.88 0.99 1.83 0.00 0.00 175.22 178.75 2pkd s THR 8 N 2.22 4.86 -0.07 0.12 2.01 -1.26 -1.65 115.64 121.87 2pkd s THR 8 Ca 0.16 1.85 0.02 0.00 0.31 0.00 0.00 61.69 64.03 2pkd s THR 8 Cb -0.16 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.14 2pkd s THR 8 CO 0.12 0.23 -0.12 0.54 -0.69 0.00 0.00 174.62 174.69 2pkd s VAL 9 N 0.72 1.13 -0.16 3.82 0.11 0.27 -4.96 120.40 121.34 2pkd s VAL 9 Ca 0.46 -0.47 -0.08 0.00 -2.93 0.00 0.00 61.98 58.96 2pkd s VAL 9 Cb -0.20 -1.04 -0.04 0.00 -1.53 0.00 0.00 36.38 33.56 2pkd s VAL 9 CO 0.25 0.36 0.13 0.20 -3.33 0.00 0.00 175.10 172.71 2pkd s ASN 10 N 0.74 6.25 0.16 3.54 0.01 -1.26 -0.87 114.94 123.52 2pkd s ASN 10 Ca -0.13 0.34 0.05 0.00 -0.71 0.00 0.00 52.86 52.41 2pkd s ASN 10 Cb -0.16 -2.06 -0.05 0.00 0.41 0.00 0.00 41.25 39.40 2pkd s ASN 10 CO 0.03 0.30 -0.11 -0.83 -1.51 0.00 0.00 177.10 174.98 2pkd s GLY 11 N -0.37 1.17 -0.15 0.66 0.00 -0.04 -4.95 107.32 103.65 2pkd s GLY 11 Ca 0.11 -1.54 -0.01 0.00 0.00 0.00 0.00 44.72 43.29 2pkd s GLY 11 CO 0.01 -1.64 -0.12 -0.42 0.00 0.00 0.00 173.10 170.93 2pkd s ILE 12 N -3.23 3.03 -0.14 0.90 -1.09 -1.26 -1.28 121.20 118.12 2pkd s ILE 12 Ca 0.18 -0.66 -0.40 0.00 -2.23 0.00 0.00 60.65 57.55 2pkd s ILE 12 Cb 0.02 -2.29 -0.19 0.00 -1.58 0.00 0.00 42.46 38.42 2pkd s ILE 12 CO 0.02 0.51 1.16 -0.11 -1.23 0.00 0.00 174.94 175.29 2pkd n LEU 13 N 3.77 0.34 0.00 2.97 0.00 0.86 -0.76 117.00 124.17 2pkd n LEU 13 Ca -0.18 1.10 0.00 0.00 0.00 0.00 0.00 56.01 56.93 2pkd n LEU 13 Cb 0.52 -0.85 0.00 0.00 0.00 0.00 0.00 43.42 43.09 2pkd n LEU 13 CO 0.30 -1.49 0.00 0.61 0.00 0.00 0.00 177.39 176.81 2pkd n GLY 14 N 2.12 3.18 0.00 -3.96 0.00 0.52 -4.58 105.19 102.47 2pkd n GLY 14 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.68 2.65 -4.37 1.61 -0.58 0.06 -3.94 120.64 114.38 2pkd n GLU 15 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 2pkd n GLU 15 Cb 0.00 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.75 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 -1.00 3.59 0.02 1.62 0.01 -1.26 -1.23 113.70 115.46 2pkd s SER 16 Ca 0.00 -0.74 0.01 0.00 1.31 0.00 0.00 55.95 56.53 2pkd s SER 16 Cb 0.00 -0.36 -0.02 0.00 0.21 0.00 0.00 66.02 65.85 2pkd s SER 16 CO 0.00 0.15 -0.05 0.54 0.41 0.00 0.00 173.24 174.29 2pkd s VAL 17 N -1.39 0.29 -0.09 3.43 0.11 -0.64 -4.67 120.40 117.43 2pkd s VAL 17 Ca 0.19 -0.73 -0.00 0.00 -2.93 0.00 0.00 61.98 58.51 2pkd s VAL 17 Cb -0.09 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 2pkd s VAL 17 CO 0.09 -0.29 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.61 2pkd s THR 18 N -1.01 3.68 -0.24 5.04 2.01 -1.26 -1.91 115.64 121.95 2pkd s THR 18 Ca -0.09 -0.47 -0.10 0.00 0.31 0.00 0.00 61.69 61.34 2pkd s THR 18 Cb -0.07 -2.53 -0.05 0.00 0.01 0.00 0.00 72.50 69.86 2pkd s THR 18 CO -0.00 0.57 0.15 -0.36 -0.69 0.00 0.00 174.62 174.29 2pkd s PHE 19 N -0.47 3.29 0.02 4.92 0.08 0.86 -4.96 117.98 121.72 2pkd s PHE 19 Ca 0.07 0.18 -0.30 0.00 0.12 0.00 0.00 56.93 57.00 2pkd s PHE 19 Cb -0.12 -2.27 -0.04 0.00 -0.57 0.00 0.00 43.02 40.02 2pkd s PHE 19 CO 0.02 0.03 1.10 -1.25 -0.10 0.00 0.00 175.22 175.02 2pkd s PRO 20 N 1.10 4.48 0.00 0.24 0.04 -1.26 -2.04 135.00 137.56 2pkd s PRO 20 Ca 0.07 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2pkd s PRO 20 Cb -0.14 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 30.98 2pkd s PRO 20 CO 0.05 -0.19 0.00 0.28 0.04 0.00 0.00 177.00 177.18 2pkd n VAL 21 N 4.00 0.00 -3.39 -0.36 0.31 -1.26 -4.98 118.33 112.65 2pkd n VAL 21 Ca 0.08 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.24 2pkd n VAL 21 Cb 0.48 -1.28 0.08 0.00 -0.91 0.00 0.00 33.84 32.22 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 -2.88 -3.09 -4.68 4.52 3.02 -1.09 -4.84 115.26 106.22 2pkd n ASN 22 Ca 0.00 -0.64 -0.42 0.00 -0.03 0.00 0.00 54.58 53.48 2pkd n ASN 22 Cb 0.43 -5.13 -0.03 0.00 -0.61 0.00 0.00 39.78 34.44 2pkd n ASN 22 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2pkd s ILE 23 N -3.37 3.16 0.06 2.41 1.10 -0.34 -4.93 121.20 119.29 2pkd s ILE 23 Ca 0.11 0.51 -0.20 0.00 -0.51 0.00 0.00 60.65 60.56 2pkd s ILE 23 Cb -0.01 -3.33 -0.09 0.00 0.15 0.00 0.00 42.46 39.18 2pkd s ILE 23 CO 0.73 -0.01 1.32 0.06 -2.11 0.00 0.00 174.94 174.93 2pkd h GLN 24 N 8.73 -0.45 -3.16 3.50 -0.00 -1.91 -3.37 115.11 118.45 2pkd h GLN 24 Ca -0.42 0.03 -0.70 0.00 -0.00 0.00 0.00 58.65 57.56 2pkd h GLN 24 Cb 1.20 0.10 -0.36 0.00 -0.00 0.00 0.00 27.48 28.42 2pkd h GLN 24 CO 0.93 -0.30 -0.10 -1.91 -0.00 0.00 0.00 178.83 177.45 2pkd n GLU 25 N -4.16 2.71 -0.23 0.06 4.07 -1.26 -4.99 120.64 116.83 2pkd n GLU 25 Ca -0.05 -4.51 -0.02 0.00 -0.06 0.00 0.00 57.16 52.52 2pkd n GLU 25 Cb 0.24 -2.40 0.09 0.00 -0.06 0.00 0.00 31.44 29.32 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 5.73 0.70 0.00 5.31 0.13 -1.84 -0.99 132.00 141.04 2pkd h PRO 26 Ca 0.17 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2pkd h PRO 26 Cb 0.78 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2pkd h PRO 26 CO 0.88 0.46 0.21 2.89 -0.23 0.00 0.00 178.00 182.21 2pkd n ARG 27 N -4.76 0.08 0.00 0.86 -4.01 -1.26 -1.77 116.66 105.81 2pkd n ARG 27 Ca 0.08 0.54 0.12 0.00 -1.04 0.00 0.00 57.85 57.56 2pkd n ARG 27 Cb 0.15 -1.98 0.28 0.00 -3.04 0.00 0.00 32.46 27.88 2pkd n ARG 27 CO 0.00 0.00 0.00 0.94 -3.04 0.00 0.00 177.63 175.53 2pkd n GLN 28 N -1.95 0.97 -2.94 2.89 7.27 -0.37 -4.91 117.38 118.33 2pkd n GLN 28 Ca -0.01 -0.65 -0.41 0.00 0.07 0.00 0.00 57.00 56.01 2pkd n GLN 28 Cb 0.22 -1.49 -0.04 0.00 2.41 0.00 0.00 30.24 31.35 2pkd n GLN 28 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2pkd s VAL 29 N -2.48 4.95 -0.16 1.69 1.01 -0.73 -0.24 120.40 124.45 2pkd s VAL 29 Ca 0.23 1.58 -0.13 0.00 0.00 0.00 0.00 61.98 63.67 2pkd s VAL 29 Cb 0.19 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 2pkd s VAL 29 CO 0.53 0.12 -0.02 0.11 0.00 0.00 0.00 175.10 175.84 2pkd h LYS 30 N 7.08 0.00 -2.17 2.72 1.57 -1.12 -3.43 116.57 121.23 2pkd h LYS 30 Ca -0.35 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.37 2pkd h LYS 30 Cb 1.16 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.28 2pkd h LYS 30 CO 0.79 0.32 0.10 -1.50 -0.57 0.00 0.00 179.45 178.59 2pkd s ILE 31 N -2.22 0.01 -0.13 1.86 2.07 -1.17 -4.40 121.20 117.22 2pkd s ILE 31 Ca -0.18 -0.06 0.01 0.00 -1.41 0.00 0.00 60.65 59.02 2pkd s ILE 31 Cb 0.03 -0.93 -0.01 0.00 0.13 0.00 0.00 42.46 41.68 2pkd s ILE 31 CO 0.32 -0.03 -0.17 -0.63 -1.91 0.00 0.00 174.94 172.52 2pkd s ILE 32 N -0.78 2.62 -0.24 2.00 1.01 -0.41 -0.11 121.20 125.30 2pkd s ILE 32 Ca -0.08 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 2pkd s ILE 32 Cb -0.02 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 2pkd s ILE 32 CO 0.07 0.53 0.00 0.00 0.00 0.00 0.00 174.94 175.54 2pkd s ALA 33 N 0.47 2.92 -0.10 9.38 0.00 -0.30 -1.22 121.76 132.91 2pkd s ALA 33 Ca -0.12 -1.25 -0.07 0.00 0.00 0.00 0.00 51.96 50.53 2pkd s ALA 33 Cb -0.16 -1.86 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 2pkd s ALA 33 CO 0.05 -0.58 0.16 -1.58 0.00 0.00 0.00 175.76 173.81 2pkd s TRP 34 N 1.49 3.60 -0.02 0.00 0.52 0.09 -1.00 118.94 123.62 2pkd s TRP 34 Ca 0.05 0.52 -0.08 0.00 0.02 0.00 0.00 56.10 56.61 2pkd s TRP 34 Cb -0.15 -1.94 0.01 0.00 -1.15 0.00 0.00 33.47 30.24 2pkd s TRP 34 CO -0.01 0.72 0.17 0.99 0.02 0.00 0.00 176.95 178.84 2pkd s THR 35 N -1.08 0.06 0.00 2.01 2.01 -0.38 -1.52 115.64 116.75 2pkd s THR 35 Ca 0.17 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.66 2pkd s THR 35 Cb -0.12 -0.42 0.00 0.00 0.01 0.00 0.00 72.50 71.97 2pkd s THR 35 CO 0.07 -0.28 0.00 -0.24 -0.69 0.00 0.00 174.62 173.47 2pkd n SER 36 N 1.77 0.56 0.14 3.53 2.88 -1.26 -0.28 113.62 120.95 2pkd n SER 36 Ca -0.20 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.39 2pkd n SER 36 Cb 0.56 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 64.54 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 -5.86 -1.46 1.57 -1.96 -3.42 116.57 105.70 2pkd h LYS 37 Ca 0.00 -0.02 -0.62 0.00 -1.87 0.00 0.00 60.65 58.14 2pkd h LYS 37 Cb 0.00 -0.05 -0.13 0.00 0.08 0.00 0.00 32.23 32.12 2pkd h LYS 37 CO 0.00 0.20 -0.66 0.95 -0.57 0.00 0.00 179.45 179.37 2pkd s THR 38 N -5.18 2.16 0.77 -0.16 -4.23 -1.26 -5.12 115.64 102.62 2pkd s THR 38 Ca -0.06 -2.15 -0.15 0.00 -1.18 0.00 0.00 61.69 58.14 2pkd s THR 38 Cb 0.17 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 71.30 2pkd s THR 38 CO 0.70 -0.15 0.86 -1.54 -0.54 0.00 0.00 174.62 173.95 2pkd n SER 39 N -0.83 -0.06 0.01 3.99 3.41 -1.26 -4.66 113.62 114.22 2pkd n SER 39 Ca -0.05 0.59 -0.00 0.00 -0.26 0.00 0.00 58.87 59.15 2pkd n SER 39 Cb 0.64 -1.37 -0.00 0.00 -0.26 0.00 0.00 64.21 63.23 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 -2.82 0.31 -3.51 -3.33 0.31 -0.57 -4.27 118.33 104.45 2pkd n VAL 40 Ca 0.12 0.11 -0.09 0.00 -0.01 0.00 0.00 64.34 64.47 2pkd n VAL 40 Cb 0.50 -1.17 -0.02 0.00 -0.91 0.00 0.00 33.84 32.24 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 -1.83 0.53 3.52 0.00 -1.12 -1.70 121.76 119.13 2pkd s ALA 41 Ca -0.00 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.08 2pkd s ALA 41 Cb 0.00 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.50 2pkd s ALA 41 CO 0.00 -0.66 0.49 1.52 0.00 0.00 0.00 175.76 177.11 2pkd s TYR 42 N -2.96 1.75 -0.08 0.00 -0.85 -0.13 -0.73 117.35 114.35 2pkd s TYR 42 Ca 0.04 -0.76 -0.03 0.00 -0.52 0.00 0.00 57.07 55.80 2pkd s TYR 42 Cb -0.01 -2.02 0.04 0.00 0.38 0.00 0.00 41.96 40.35 2pkd s TYR 42 CO -0.08 -0.57 0.15 0.08 -1.52 0.00 0.00 175.55 173.61 2pkd s VAL 43 N -2.70 -0.20 0.18 -3.49 1.01 -0.36 -2.03 120.40 112.82 2pkd s VAL 43 Ca 0.42 0.31 0.09 0.00 0.00 0.00 0.00 61.98 62.81 2pkd s VAL 43 Cb -0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 2pkd s VAL 43 CO 0.26 0.13 -0.20 0.42 0.00 0.00 0.00 175.10 175.72 2pkd s THR 44 N 1.99 2.00 0.55 3.92 -4.23 -0.16 -1.29 115.64 118.43 2pkd s THR 44 Ca -0.00 -1.99 -0.21 0.00 -1.18 0.00 0.00 61.69 58.30 2pkd s THR 44 Cb -0.12 -1.95 -0.05 0.00 1.34 0.00 0.00 72.50 71.72 2pkd s THR 44 CO -0.06 -0.28 1.35 -2.16 -0.54 0.00 0.00 174.62 172.93 2pkd s PRO 45 N -2.84 3.11 0.00 3.99 0.04 -1.26 0.73 135.00 138.76 2pkd s PRO 45 Ca 0.18 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2pkd s PRO 45 Cb -0.06 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2pkd s PRO 45 CO 0.08 -1.21 0.00 0.41 0.04 0.00 0.00 177.00 176.32 2pkd n GLY 46 N 0.73 0.74 0.12 0.56 0.00 -1.24 -4.43 105.19 101.67 2pkd n GLY 46 Ca 0.11 -1.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.16 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 0.23 -4.16 1.61 3.32 -1.97 -3.46 116.42 112.00 2pkd h ASP 47 Ca 0.00 -0.19 -0.64 0.00 0.02 0.00 0.00 57.03 56.22 2pkd h ASP 47 Cb 0.00 -0.07 -0.24 0.00 0.22 0.00 0.00 39.33 39.24 2pkd h ASP 47 CO 0.00 1.00 -0.86 -0.94 -1.72 0.00 0.00 179.24 176.73 2pkd s SER 48 N -6.91 2.91 0.43 6.45 1.04 -1.26 -5.04 113.70 111.32 2pkd s SER 48 Ca -0.02 -0.64 0.28 0.00 0.48 0.00 0.00 55.95 56.04 2pkd s SER 48 Cb 0.10 -0.22 1.36 0.00 0.10 0.00 0.00 66.02 67.37 2pkd s SER 48 CO 0.83 0.17 1.66 -0.33 0.98 0.00 0.00 173.24 176.55 2pkd h GLU 49 N 4.39 0.14 -0.02 4.02 4.39 -2.00 -2.66 114.58 122.83 2pkd h GLU 49 Ca -0.47 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2pkd h GLU 49 Cb 1.16 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2pkd h GLU 49 CO 0.41 0.10 -0.06 0.25 -1.16 0.00 0.00 179.01 178.55 2pkd n THR 50 N -4.65 0.00 -3.67 1.13 -2.24 -1.26 -3.47 114.28 100.12 2pkd n THR 50 Ca 0.34 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 61.36 2pkd n THR 50 Cb 1.31 1.40 -0.14 0.00 -2.10 0.00 0.00 70.33 70.80 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 -1.78 1.64 0.85 6.98 0.00 -1.00 -4.16 121.76 124.29 2pkd s ALA 51 Ca 0.23 -2.04 -0.10 0.00 0.00 0.00 0.00 51.96 50.04 2pkd s ALA 51 Cb 0.17 -1.72 0.11 0.00 0.00 0.00 0.00 23.12 21.68 2pkd s ALA 51 CO 0.29 -1.90 1.12 -2.14 0.00 0.00 0.00 175.76 173.14 2pkd s PRO 52 N 1.05 1.57 -0.19 0.00 0.02 -1.26 -3.68 135.00 132.50 2pkd s PRO 52 Ca 0.14 1.36 -0.15 0.00 0.02 0.00 0.00 61.00 62.37 2pkd s PRO 52 Cb -0.21 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.46 2pkd s PRO 52 CO -0.11 -2.19 0.37 0.08 -0.33 0.00 0.00 177.00 174.82 2pkd s VAL 53 N -2.77 5.23 -0.21 3.83 1.01 0.22 -4.76 120.40 122.95 2pkd s VAL 53 Ca 0.64 0.67 -0.08 0.00 0.00 0.00 0.00 61.98 63.21 2pkd s VAL 53 Cb -0.20 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2pkd s VAL 53 CO 0.57 0.29 0.09 -0.69 0.00 0.00 0.00 175.10 175.36 2pkd s VAL 54 N 1.10 4.85 -0.26 2.92 1.01 -1.26 -0.98 120.40 127.76 2pkd s VAL 54 Ca 0.18 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.18 2pkd s VAL 54 Cb -0.14 -3.22 0.05 0.00 0.00 0.00 0.00 36.38 33.07 2pkd s VAL 54 CO 0.07 0.41 -0.09 -0.89 0.00 0.00 0.00 175.10 174.60 2pkd s THR 55 N 0.77 2.36 0.23 3.92 2.01 -0.86 -5.01 115.64 119.06 2pkd s THR 55 Ca 0.05 -1.53 -0.30 0.00 0.31 0.00 0.00 61.69 60.22 2pkd s THR 55 Cb -0.13 -2.36 -0.09 0.00 0.01 0.00 0.00 72.50 69.93 2pkd s THR 55 CO 0.02 -0.01 1.08 -0.69 -0.69 0.00 0.00 174.62 174.33 2pkd s VAL 56 N 1.15 3.72 0.00 3.82 1.01 -1.26 -0.96 120.40 127.88 2pkd s VAL 56 Ca -0.07 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.52 2pkd s VAL 56 Cb -0.19 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.16 2pkd s VAL 56 CO -0.05 0.33 0.59 0.35 0.00 0.00 0.00 175.10 176.33 2pkd n THR 57 N 1.78 0.24 -3.86 3.92 -2.24 -0.69 -4.93 114.28 108.50 2pkd n THR 57 Ca 0.01 -0.58 -0.14 0.00 -2.27 0.00 0.00 64.05 61.07 2pkd n THR 57 Cb 0.46 0.94 -0.15 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.24 0.07 0.44 4.78 5.65 -1.24 -4.85 115.29 119.90 2pkd s HIS 58 Ca 0.00 0.04 0.26 0.00 0.25 0.00 0.00 55.06 55.61 2pkd s HIS 58 Cb 0.00 -0.14 1.30 0.00 -1.18 0.00 0.00 32.58 32.56 2pkd s HIS 58 CO 0.00 -0.04 1.72 -0.09 -0.65 0.00 0.00 174.74 175.68 2pkd h ARG 59 N 6.63 0.21 -0.18 2.88 2.43 -1.94 -1.42 114.38 122.99 2pkd h ARG 59 Ca -0.33 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 58.87 2pkd h ARG 59 Cb 1.17 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 2pkd h ARG 59 CO 0.50 0.14 0.24 -0.91 -1.51 0.00 0.00 179.97 178.43 2pkd h ASN 60 N 0.22 0.00 -0.16 -3.80 2.35 -1.96 -2.71 115.58 109.52 2pkd h ASN 60 Ca 0.68 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.43 2pkd h ASN 60 Cb 2.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.41 2pkd h ASN 60 CO -0.29 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.27 2pkd n TYR 61 N -3.62 0.20 -1.64 1.19 4.02 -0.54 -5.02 117.16 111.77 2pkd n TYR 61 Ca 0.02 -0.26 -0.56 0.00 -0.01 0.00 0.00 57.90 57.09 2pkd n TYR 61 Cb 0.35 -0.02 -0.07 0.00 -0.02 0.00 0.00 39.34 39.59 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 0.44 1.64 -2.32 -0.72 4.19 -1.03 -1.12 117.16 118.24 2pkd n TYR 62 Ca 0.08 0.68 -0.16 0.00 3.31 0.00 0.00 57.90 61.80 2pkd n TYR 62 Cb 0.32 -2.35 -0.01 0.00 0.49 0.00 0.00 39.34 37.79 2pkd n TYR 62 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 2pkd n GLU 63 N 3.54 -1.91 0.00 2.98 -0.58 -1.26 -4.85 120.64 118.56 2pkd n GLU 63 Ca 0.22 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.77 2pkd n GLU 63 Cb 0.14 -5.40 0.00 0.00 -0.57 0.00 0.00 31.44 25.61 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 -2.81 0.62 -4.83 3.49 1.74 -0.28 -4.96 116.66 109.63 2pkd n ARG 64 Ca -0.19 -0.67 -0.33 0.00 -0.77 0.00 0.00 57.85 55.90 2pkd n ARG 64 Cb 0.63 -0.75 -0.16 0.00 -1.02 0.00 0.00 32.46 31.17 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 -0.28 2.27 0.04 0.55 -1.09 -1.25 -0.79 121.20 120.65 2pkd s ILE 65 Ca 0.00 -0.92 0.04 0.00 -2.23 0.00 0.00 60.65 57.54 2pkd s ILE 65 Cb 0.00 -1.91 -0.02 0.00 -1.58 0.00 0.00 42.46 38.95 2pkd s ILE 65 CO 0.00 0.54 -0.13 -1.00 -1.23 0.00 0.00 174.94 173.13 2pkd s HIS 66 N 0.62 1.12 0.02 3.97 3.76 -0.13 -4.98 115.29 119.67 2pkd s HIS 66 Ca -0.11 -0.36 0.06 0.00 -0.15 0.00 0.00 55.06 54.50 2pkd s HIS 66 Cb -0.16 -0.66 -0.03 0.00 1.11 0.00 0.00 32.58 32.83 2pkd s HIS 66 CO 0.03 0.02 -0.14 0.00 -0.85 0.00 0.00 174.74 173.80 2pkd s ALA 67 N -0.88 2.74 -0.06 -1.40 0.00 -1.26 0.14 121.76 121.04 2pkd s ALA 67 Ca 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 51.96 50.80 2pkd s ALA 67 Cb -0.08 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 2pkd s ALA 67 CO 0.01 0.59 0.16 -0.07 0.00 0.00 0.00 175.76 176.45 2pkd h LEU 68 N 4.56 -0.10 -0.50 0.00 4.07 -1.63 -3.43 115.31 118.29 2pkd h LEU 68 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 2pkd h LEU 68 Cb 1.16 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.92 2pkd h LEU 68 CO 0.50 0.28 -0.52 0.61 -1.08 0.00 0.00 178.44 178.22 2pkd n GLY 69 N 1.46 -3.68 0.10 0.83 0.00 -1.26 -4.30 105.19 98.34 2pkd n GLY 69 Ca -0.01 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 45.12 2pkd n GLY 69 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pkd n PRO 70 N -1.61 0.15 -0.10 1.61 -0.04 -1.23 -4.78 135.00 129.01 2pkd n PRO 70 Ca 0.00 0.38 0.11 0.00 -0.04 0.00 0.00 63.50 63.94 2pkd n PRO 70 Cb 0.15 -1.79 0.33 0.00 -0.04 0.00 0.00 33.50 32.15 2pkd n PRO 70 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2pkd n ASN 71 N -2.08 2.07 -0.88 3.54 4.13 -1.26 -4.69 115.26 116.09 2pkd n ASN 71 Ca 0.03 -1.78 -0.12 0.00 1.68 0.00 0.00 54.58 54.39 2pkd n ASN 71 Cb 0.23 -0.14 -0.05 0.00 -1.54 0.00 0.00 39.78 38.28 2pkd n ASN 71 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2pkd n TYR 72 N 0.59 0.00 -1.72 3.10 4.02 -1.26 -1.20 117.16 120.69 2pkd n TYR 72 Ca 0.17 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.67 2pkd n TYR 72 Cb 0.39 -2.25 0.04 0.00 -0.02 0.00 0.00 39.34 37.50 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 -0.21 2.47 -4.49 7.72 4.13 -1.26 -4.69 115.26 118.93 2pkd n ASN 73 Ca -0.12 0.99 -0.33 0.00 1.68 0.00 0.00 54.58 56.80 2pkd n ASN 73 Cb 0.42 -1.54 -0.13 0.00 -1.54 0.00 0.00 39.78 36.99 2pkd n ASN 73 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2pkd s LEU 74 N -2.95 2.95 -0.09 3.41 2.96 -0.86 -1.69 118.68 122.40 2pkd s LEU 74 Ca 0.70 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 54.45 2pkd s LEU 74 Cb -0.43 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 2pkd s LEU 74 CO 0.51 0.29 -0.04 -0.69 -1.32 0.00 0.00 176.35 175.10 2pkd s VAL 75 N -0.39 3.96 -0.12 1.68 1.01 0.38 -0.10 120.40 126.82 2pkd s VAL 75 Ca 0.05 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2pkd s VAL 75 Cb -0.12 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 2pkd s VAL 75 CO 0.02 0.58 -0.17 -0.63 0.00 0.00 0.00 175.10 174.91 2pkd s ILE 76 N -0.62 2.71 0.42 2.22 1.01 -0.80 -0.96 121.20 125.19 2pkd s ILE 76 Ca 0.10 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 60.03 2pkd s ILE 76 Cb -0.12 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.19 2pkd s ILE 76 CO 0.02 0.53 0.17 -0.94 0.00 0.00 0.00 174.94 174.72 2pkd s SER 77 N 0.38 4.38 -1.46 3.58 1.04 0.03 -1.63 113.70 120.03 2pkd s SER 77 Ca -0.13 -1.13 -0.01 0.00 0.48 0.00 0.00 55.95 55.16 2pkd s SER 77 Cb -0.17 -0.40 0.00 0.00 0.10 0.00 0.00 66.02 65.56 2pkd s SER 77 CO 0.06 -0.57 0.26 -0.67 0.98 0.00 0.00 173.24 173.30 2pkd n ASP 78 N -1.24 0.12 -4.55 7.02 2.03 -0.65 -4.83 116.55 114.45 2pkd n ASP 78 Ca -0.02 -1.12 -0.46 0.00 0.52 0.00 0.00 54.79 53.71 2pkd n ASP 78 Cb 0.65 -2.46 -0.02 0.00 -0.72 0.00 0.00 41.12 38.56 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 -4.48 1.17 -4.38 -2.67 4.77 -0.36 -4.62 117.00 106.42 2pkd n LEU 79 Ca -0.32 1.17 -0.25 0.00 -0.03 0.00 0.00 56.01 56.58 2pkd n LEU 79 Cb 0.69 -1.21 -0.11 0.00 -2.33 0.00 0.00 43.42 40.45 2pkd n LEU 79 CO 0.79 -1.70 -0.51 -0.13 -1.33 0.00 0.00 177.39 174.51 2pkd s ARG 80 N -1.31 1.41 0.54 3.23 0.52 -1.26 -0.36 118.95 121.72 2pkd s ARG 80 Ca 0.61 -1.48 0.25 0.00 -0.52 0.00 0.00 55.73 54.60 2pkd s ARG 80 Cb -0.76 -1.62 1.41 0.00 0.52 0.00 0.00 34.95 34.49 2pkd s ARG 80 CO 0.58 0.34 2.00 0.52 0.02 0.00 0.00 175.30 178.77 2pkd h MET 81 N 3.22 0.00 0.00 3.54 2.86 -1.96 0.14 114.93 122.73 2pkd h MET 81 Ca -0.44 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 2pkd h MET 81 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 2pkd h MET 81 CO 0.49 0.00 0.00 0.93 1.06 0.00 0.00 176.91 179.39 2pkd h GLU 82 N 0.00 0.00 0.00 1.72 3.07 -2.00 -2.84 114.58 114.53 2pkd h GLU 82 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 2pkd h GLU 82 Cb 0.96 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 2pkd h GLU 82 CO -0.00 0.00 0.00 -0.44 -1.40 0.00 0.00 179.01 177.17 2pkd h ASP 83 N 0.00 0.00 -4.02 1.42 3.32 -1.12 -3.46 116.42 112.56 2pkd h ASP 83 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 2pkd h ASP 83 Cb 0.60 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.21 2pkd h ASP 83 CO 0.00 0.00 0.47 0.00 -1.72 0.00 0.00 179.24 177.99 2pkd s ALA 84 N -3.63 2.92 0.00 3.45 0.00 -1.08 -4.93 121.76 118.50 2pkd s ALA 84 Ca 0.01 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.88 2pkd s ALA 84 Cb 0.09 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2pkd s ALA 84 CO 0.43 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2pkd n GLY 85 N 0.39 0.89 3.79 0.00 0.00 -0.34 -4.99 105.19 104.93 2pkd n GLY 85 Ca 0.08 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.75 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 7.27 0.11 1.61 -0.00 -1.26 -1.17 116.67 119.23 2pkd s ASP 86 Ca 0.00 1.52 0.08 0.00 -0.00 0.00 0.00 52.55 54.15 2pkd s ASP 86 Cb 0.00 -2.46 -0.04 0.00 -0.00 0.00 0.00 42.92 40.43 2pkd s ASP 86 CO 0.00 0.20 -0.19 -0.31 -0.00 0.00 0.00 175.17 174.87 2pkd s TYR 87 N -1.19 1.67 0.01 4.23 1.51 0.40 -4.38 117.35 119.59 2pkd s TYR 87 Ca 0.35 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.97 2pkd s TYR 87 Cb -0.21 -0.90 -0.01 0.00 -0.11 0.00 0.00 41.96 40.73 2pkd s TYR 87 CO 0.24 0.20 -0.03 0.15 -1.11 0.00 0.00 175.55 175.00 2pkd s LYS 88 N -2.11 0.25 -0.18 -0.62 1.02 0.61 -1.59 119.74 117.13 2pkd s LYS 88 Ca 0.07 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 55.82 2pkd s LYS 88 Cb -0.09 -0.16 0.01 0.00 -0.52 0.00 0.00 37.83 37.07 2pkd s LYS 88 CO 0.04 0.04 -0.17 0.00 -0.92 0.00 0.00 175.35 174.34 2pkd s ALA 89 N -0.41 2.43 -0.47 5.17 0.00 -0.37 -1.25 121.76 126.86 2pkd s ALA 89 Ca -0.03 -1.19 -0.20 0.00 0.00 0.00 0.00 51.96 50.53 2pkd s ALA 89 Cb -0.03 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 21.85 2pkd s ALA 89 CO -0.00 -0.33 0.66 -0.51 0.00 0.00 0.00 175.76 175.57 2pkd s ASP 90 N 1.28 6.29 -0.31 0.00 -0.00 -0.17 -1.62 116.67 122.14 2pkd s ASP 90 Ca 0.04 -0.52 -0.14 0.00 -0.00 0.00 0.00 52.55 51.94 2pkd s ASP 90 Cb -0.13 -2.32 -0.03 0.00 -0.00 0.00 0.00 42.92 40.44 2pkd s ASP 90 CO -0.10 -0.84 0.30 -0.63 -0.00 0.00 0.00 175.17 173.90 2pkd s ILE 91 N 2.84 5.23 -0.18 0.77 1.01 0.02 -1.15 121.20 129.74 2pkd s ILE 91 Ca 0.21 0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.92 2pkd s ILE 91 Cb -0.15 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2pkd s ILE 91 CO 0.17 0.06 0.04 0.20 0.00 0.00 0.00 174.94 175.41 2pkd s ASN 92 N 1.72 5.46 0.28 3.58 0.01 0.85 -2.14 114.94 124.69 2pkd s ASN 92 Ca 0.10 0.03 0.11 0.00 -0.71 0.00 0.00 52.86 52.39 2pkd s ASN 92 Cb -0.16 -1.93 -0.05 0.00 0.41 0.00 0.00 41.25 39.51 2pkd s ASN 92 CO 0.11 0.16 -0.16 0.42 -1.51 0.00 0.00 177.10 176.12 2pkd s THR 93 N 0.43 2.26 0.35 1.60 -4.23 -0.60 -0.51 115.64 114.94 2pkd s THR 93 Ca 0.02 -2.32 0.11 0.00 -1.18 0.00 0.00 61.69 58.31 2pkd s THR 93 Cb -0.13 -2.32 0.33 0.00 1.34 0.00 0.00 72.50 71.72 2pkd s THR 93 CO 0.01 -0.39 1.81 1.56 -0.54 0.00 0.00 174.62 177.07 2pkd h GLN 94 N 2.28 0.61 -5.46 3.99 1.08 -0.96 -3.43 115.11 113.22 2pkd h GLN 94 Ca -0.40 -0.04 -0.65 0.00 -1.45 0.00 0.00 58.65 56.11 2pkd h GLN 94 Cb 1.25 -0.14 -0.13 0.00 -0.05 0.00 0.00 27.48 28.42 2pkd h GLN 94 CO 0.63 0.40 -0.55 0.00 -0.95 0.00 0.00 178.83 178.36 2pkd s ALA 95 N -5.68 3.68 0.20 3.87 0.00 -1.26 -4.99 121.76 117.59 2pkd s ALA 95 Ca -0.10 -1.34 -0.31 0.00 0.00 0.00 0.00 51.96 50.21 2pkd s ALA 95 Cb 0.24 0.05 -0.15 0.00 0.00 0.00 0.00 23.12 23.25 2pkd s ALA 95 CO 0.80 -0.08 1.12 -3.47 0.00 0.00 0.00 175.76 174.13 2pkd n ASP 96 N -1.15 1.34 -0.09 0.00 2.03 -1.26 -1.50 116.55 115.91 2pkd n ASP 96 Ca -0.12 1.15 0.02 0.00 0.52 0.00 0.00 54.79 56.37 2pkd n ASP 96 Cb 0.67 -1.24 0.10 0.00 -0.72 0.00 0.00 41.12 39.94 2pkd n ASP 96 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2pkd n PRO 97 N 1.51 1.11 0.00 -0.67 -0.05 -1.26 -5.02 135.00 130.63 2pkd n PRO 97 Ca 0.14 -0.17 0.00 0.00 -0.05 0.00 0.00 63.50 63.41 2pkd n PRO 97 Cb 0.27 -1.08 0.00 0.00 -0.05 0.00 0.00 33.50 32.63 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 -0.40 0.00 -3.83 0.54 4.02 -0.57 -4.77 117.16 112.16 2pkd n TYR 98 Ca 0.04 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.66 2pkd n TYR 98 Cb 0.05 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.20 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 0.80 -0.17 -0.72 2.01 -1.26 -1.56 115.64 114.74 2pkd s THR 99 Ca 0.00 -0.42 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 2pkd s THR 99 Cb 0.00 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 2pkd s THR 99 CO 0.00 0.09 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.11 2pkd s THR 100 N 1.77 3.96 -0.21 -0.82 2.01 -0.91 -4.93 115.64 116.50 2pkd s THR 100 Ca 0.01 -0.33 -0.08 0.00 0.31 0.00 0.00 61.69 61.60 2pkd s THR 100 Cb -0.15 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 2pkd s THR 100 CO -0.07 0.47 0.09 -0.89 -0.69 0.00 0.00 174.62 173.54 2pkd s THR 101 N 0.54 4.91 -0.10 -0.82 2.01 -1.26 -0.80 115.64 120.11 2pkd s THR 101 Ca -0.02 0.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 2pkd s THR 101 Cb -0.14 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 2pkd s THR 101 CO 0.02 0.41 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.77 2pkd s LYS 102 N 0.75 3.09 -0.00 4.92 -0.14 -0.64 -4.96 119.74 122.75 2pkd s LYS 102 Ca 0.05 -0.54 0.04 0.00 -1.36 0.00 0.00 55.97 54.17 2pkd s LYS 102 Cb -0.13 -2.71 -0.03 0.00 -1.68 0.00 0.00 37.83 33.28 2pkd s LYS 102 CO 0.02 0.51 -0.12 1.03 -0.76 0.00 0.00 175.35 176.03 2pkd s ARG 103 N -0.39 2.42 0.01 1.68 0.52 -1.26 -1.24 118.95 120.69 2pkd s ARG 103 Ca 0.06 -0.78 0.01 0.00 -0.52 0.00 0.00 55.73 54.50 2pkd s ARG 103 Cb -0.12 -2.39 -0.01 0.00 0.52 0.00 0.00 34.95 32.95 2pkd s ARG 103 CO 0.02 0.59 -0.04 0.71 0.02 0.00 0.00 175.30 176.61 2pkd s TYR 104 N -0.90 0.35 -0.27 -0.53 2.02 -0.62 -0.97 117.35 116.43 2pkd s TYR 104 Ca 0.15 -0.26 0.03 0.00 -0.37 0.00 0.00 57.07 56.62 2pkd s TYR 104 Cb -0.11 -0.22 0.07 0.00 -0.40 0.00 0.00 41.96 41.30 2pkd s TYR 104 CO 0.05 -0.06 -0.08 1.21 -1.57 0.00 0.00 175.55 175.09 2pkd s ASN 105 N -0.73 4.48 -0.21 2.29 3.04 -0.66 -0.46 114.94 122.70 2pkd s ASN 105 Ca -0.05 -1.51 -0.17 0.00 0.04 0.00 0.00 52.86 51.16 2pkd s ASN 105 Cb -0.05 -1.55 -0.03 0.00 -1.54 0.00 0.00 41.25 38.07 2pkd s ASN 105 CO -0.00 -0.22 0.46 -0.22 -3.04 0.00 0.00 177.10 174.08 2pkd s LEU 106 N 1.08 4.14 -0.13 3.21 2.96 -0.31 -0.56 118.68 129.06 2pkd s LEU 106 Ca -0.06 0.59 0.01 0.00 -0.22 0.00 0.00 54.13 54.45 2pkd s LEU 106 Cb -0.20 -2.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.87 2pkd s LEU 106 CO -0.06 -0.14 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.57 2pkd s GLN 107 N 1.56 3.26 -0.14 1.98 -0.21 -0.05 -1.20 119.66 124.86 2pkd s GLN 107 Ca 0.21 -0.75 -0.02 0.00 0.02 0.00 0.00 55.36 54.83 2pkd s GLN 107 Cb -0.15 -2.55 -0.02 0.00 1.00 0.00 0.00 33.01 31.29 2pkd s GLN 107 CO 0.09 0.16 -0.08 0.42 -2.12 0.00 0.00 175.29 173.75 2pkd s ILE 108 N 0.46 3.46 0.27 1.08 1.01 -1.26 -0.86 121.20 125.35 2pkd s ILE 108 Ca -0.12 -0.51 0.10 0.00 0.00 0.00 0.00 60.65 60.12 2pkd s ILE 108 Cb -0.16 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 2pkd s ILE 108 CO 0.05 0.51 -0.06 -0.31 0.00 0.00 0.00 174.94 175.14 2pkd s TYR 109 N 0.36 2.59 0.79 3.97 2.02 -0.41 -4.93 117.35 121.75 2pkd s TYR 109 Ca -0.08 -0.25 -0.11 0.00 -0.37 0.00 0.00 57.07 56.27 2pkd s TYR 109 Cb -0.15 -1.15 0.07 0.00 -0.40 0.00 0.00 41.96 40.33 2pkd s TYR 109 CO 0.04 0.64 1.10 -0.98 -1.57 0.00 0.00 175.55 174.79 2pkd s ARG 110 N -3.60 2.10 0.00 -0.62 1.70 -1.26 -0.09 118.95 117.17 2pkd s ARG 110 Ca 0.31 1.25 0.21 0.00 -0.47 0.00 0.00 55.73 57.03 2pkd s ARG 110 Cb -0.06 -1.87 1.25 0.00 -0.57 0.00 0.00 34.95 33.70 2pkd s ARG 110 CO 0.19 -1.77 1.63 2.89 -1.08 0.00 0.00 175.30 177.16