#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdf n ASP 3 N 0.00 0.00 0.00 4.52 -0.08 -1.26 -5.17 116.55 114.56 3kdf n ASP 3 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3kdf n ASP 3 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3kdf n ASP 3 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3kdf n ASP 6 N 0.00 -0.52 -4.37 1.67 5.68 -1.26 -5.11 116.55 112.65 3kdf n ASP 6 Ca 0.00 0.00 -0.19 0.00 -0.50 0.00 0.00 54.79 54.10 3kdf n ASP 6 Cb 0.00 -0.09 -0.10 0.00 -1.14 0.00 0.00 41.12 39.79 3kdf n ASP 6 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3kdf s LEU 7 N 0.00 2.46 0.34 -2.12 1.43 -1.26 -5.12 118.68 114.41 3kdf s LEU 7 Ca 0.00 -1.12 -0.28 0.00 -1.03 0.00 0.00 54.13 51.69 3kdf s LEU 7 Cb 0.00 -0.56 -0.10 0.00 0.03 0.00 0.00 46.19 45.56 3kdf s LEU 7 CO 0.00 -0.32 1.33 -2.84 0.23 0.00 0.00 176.35 174.76 3kdf s PRO 8 N -3.73 4.30 -0.13 1.29 0.02 -1.26 -5.02 135.00 130.47 3kdf s PRO 8 Ca 0.26 2.26 0.02 0.00 0.02 0.00 0.00 61.00 63.56 3kdf s PRO 8 Cb 0.02 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.51 3kdf s PRO 8 CO 0.09 -0.25 -0.21 1.03 -0.33 0.00 0.00 177.00 177.33 3kdf s ARG 9 N -1.86 3.09 0.03 5.54 0.52 -1.26 -4.72 118.95 120.28 3kdf s ARG 9 Ca 0.50 -0.83 -0.30 0.00 -0.52 0.00 0.00 55.73 54.58 3kdf s ARG 9 Cb -0.41 -2.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.58 3kdf s ARG 9 CO 0.54 0.05 0.97 -1.12 0.02 0.00 0.00 175.30 175.77 3kdf s SER 10 N 0.67 7.40 -0.16 0.23 0.01 -0.95 -4.46 113.70 116.43 3kdf s SER 10 Ca -0.10 1.69 -0.29 0.00 1.31 0.00 0.00 55.95 58.56 3kdf s SER 10 Cb -0.16 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.49 3kdf s SER 10 CO 0.02 -0.20 1.12 -0.13 0.41 0.00 0.00 173.24 174.46 3kdf s ARG 11 N 0.73 4.29 0.32 12.44 0.52 -1.26 -0.30 118.95 135.69 3kdf s ARG 11 Ca 0.50 1.50 0.03 0.00 -0.52 0.00 0.00 55.73 57.25 3kdf s ARG 11 Cb -0.22 -3.65 -0.04 0.00 0.52 0.00 0.00 34.95 31.57 3kdf s ARG 11 CO 0.28 -0.57 0.13 0.96 0.02 0.00 0.00 175.30 176.12 3kdf s ILE 12 N 2.93 0.57 0.52 1.52 -4.36 -0.92 -4.95 121.20 116.52 3kdf s ILE 12 Ca 0.50 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.89 3kdf s ILE 12 Cb -0.19 -2.54 -0.00 0.00 1.25 0.00 0.00 42.46 40.97 3kdf s ILE 12 CO 0.13 0.00 0.00 0.54 0.24 0.00 0.00 174.94 175.85 3kdf s ASN 13 N -3.43 4.15 0.39 4.36 2.20 -1.26 -4.45 114.94 116.89 3kdf s ASN 13 Ca 0.34 -1.70 0.08 0.00 -0.94 0.00 0.00 52.86 50.63 3kdf s ASN 13 Cb 0.06 0.66 0.78 0.00 -2.00 0.00 0.00 41.25 40.74 3kdf s ASN 13 CO 0.16 -0.91 1.96 0.00 -2.94 0.00 0.00 177.10 175.36 3kdf h ALA 14 N 1.30 1.55 0.00 3.54 0.00 -1.89 -3.28 119.26 120.48 3kdf h ALA 14 Ca -0.44 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3kdf h ALA 14 Cb 1.33 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3kdf h ALA 14 CO 0.73 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.72 3kdf n GLY 15 N -1.08 0.88 4.68 0.00 0.00 -1.26 -4.56 105.19 103.85 3kdf n GLY 15 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3kdf n GLY 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kdf n LEU 17 N 1.77 0.00 0.26 0.99 4.77 -1.24 -4.75 117.00 118.80 3kdf n LEU 17 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 3kdf n LEU 17 Cb 0.11 0.00 0.69 0.00 -2.33 0.00 0.00 43.42 41.89 3kdf n LEU 17 CO 0.00 0.00 0.96 0.00 -1.33 0.00 0.00 177.39 177.02 3kdf h ALA 18 N 0.00 1.34 -0.01 -1.18 0.00 -1.90 -0.87 119.26 116.65 3kdf h ALA 18 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kdf h ALA 18 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kdf h ALA 18 CO 0.00 0.17 -0.16 0.00 0.00 0.00 0.00 179.25 179.25 3kdf n GLN 19 N -3.74 0.78 -0.39 0.00 10.64 -1.26 -4.09 117.38 119.31 3kdf n GLN 19 Ca -0.02 -0.36 0.07 0.00 -1.83 0.00 0.00 57.00 54.87 3kdf n GLN 19 Cb 0.24 -1.49 0.15 0.00 -0.86 0.00 0.00 30.24 28.28 3kdf n GLN 19 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3kdf n PHE 20 N -0.80 0.00 -1.62 2.61 3.72 -0.34 -5.06 117.46 115.98 3kdf n PHE 20 Ca 0.14 -1.12 -0.52 0.00 -0.05 0.00 0.00 57.45 55.89 3kdf n PHE 20 Cb 0.31 -0.19 -0.06 0.00 -0.94 0.00 0.00 39.48 38.60 3kdf n PHE 20 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3kdf n ILE 21 N -1.11 0.06 -1.04 4.37 2.08 -1.19 -1.23 119.36 121.31 3kdf n ILE 21 Ca 0.16 -0.01 -0.01 0.00 0.56 0.00 0.00 62.75 63.44 3kdf n ILE 21 Cb 0.69 -0.95 -0.01 0.00 -0.75 0.00 0.00 39.64 38.62 3kdf n ILE 21 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 3kdf n ASP 22 N 3.13 -4.05 -4.80 4.38 2.03 0.31 -4.96 116.55 112.59 3kdf n ASP 22 Ca 0.20 0.03 -0.28 0.00 0.52 0.00 0.00 54.79 55.26 3kdf n ASP 22 Cb 0.19 -1.66 -0.06 0.00 -0.72 0.00 0.00 41.12 38.87 3kdf n ASP 22 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3kdf s LYS 23 N -1.03 2.92 0.14 -0.67 1.02 -0.36 -4.76 119.74 117.00 3kdf s LYS 23 Ca 0.00 -0.80 -0.30 0.00 0.02 0.00 0.00 55.97 54.89 3kdf s LYS 23 Cb 0.00 -2.68 -0.07 0.00 -0.52 0.00 0.00 37.83 34.55 3kdf s LYS 23 CO 0.00 0.51 1.16 -2.14 -0.92 0.00 0.00 175.35 173.96 3kdf s PRO 24 N -2.89 4.51 0.10 -1.68 0.02 -1.26 -1.54 135.00 132.25 3kdf s PRO 24 Ca 0.31 1.79 -0.01 0.00 0.02 0.00 0.00 61.00 63.10 3kdf s PRO 24 Cb -0.11 -3.29 -0.04 0.00 0.02 0.00 0.00 34.50 31.09 3kdf s PRO 24 CO 0.23 -0.09 0.02 0.14 -0.33 0.00 0.00 177.00 176.97 3kdf s VAL 25 N 0.23 0.15 -0.18 3.83 -7.23 -0.03 -2.23 120.40 114.95 3kdf s VAL 25 Ca 0.53 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.84 3kdf s VAL 25 Cb -0.30 -1.82 0.03 0.00 0.56 0.00 0.00 36.38 34.85 3kdf s VAL 25 CO 0.34 -0.70 -0.13 0.00 -0.31 0.00 0.00 175.10 174.30 3kdf s PHE 27 N 1.40 3.07 -0.16 0.00 2.19 0.72 -2.16 117.98 123.04 3kdf s PHE 27 Ca 0.02 -1.79 -0.08 0.00 0.33 0.00 0.00 56.93 55.41 3kdf s PHE 27 Cb -0.15 -2.00 -0.04 0.00 -1.31 0.00 0.00 43.02 39.52 3kdf s PHE 27 CO -0.10 -0.79 0.11 0.08 1.83 0.00 0.00 175.22 176.35 3kdf s VAL 28 N 1.26 5.24 0.20 3.12 1.01 -1.26 -0.79 120.40 129.17 3kdf s VAL 28 Ca -0.02 0.12 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 3kdf s VAL 28 Cb -0.17 -3.34 0.06 0.00 0.00 0.00 0.00 36.38 32.94 3kdf s VAL 28 CO -0.06 0.51 0.95 -0.83 0.00 0.00 0.00 175.10 175.67 3kdf s GLY 29 N -0.17 -0.04 -0.07 4.51 0.00 -0.57 -4.64 107.32 106.35 3kdf s GLY 29 Ca 0.10 -0.17 -0.19 0.00 0.00 0.00 0.00 44.72 44.46 3kdf s GLY 29 CO 0.01 0.70 0.51 -1.60 0.00 0.00 0.00 173.10 172.72 3kdf s ARG 30 N -2.86 4.28 -0.02 2.90 3.52 0.77 -0.55 118.95 126.98 3kdf s ARG 30 Ca 0.16 0.54 -0.30 0.00 -0.13 0.00 0.00 55.73 56.00 3kdf s ARG 30 Cb -0.03 -3.38 -0.07 0.00 -1.56 0.00 0.00 34.95 29.91 3kdf s ARG 30 CO 0.05 0.28 1.85 -1.17 -0.81 0.00 0.00 175.30 175.50 3kdf s LEU 31 N 0.19 4.32 -0.18 -0.88 1.98 0.52 -0.73 118.68 123.89 3kdf s LEU 31 Ca 0.28 2.42 0.05 0.00 -2.89 0.00 0.00 54.13 53.99 3kdf s LEU 31 Cb -0.16 -3.53 -0.14 0.00 0.66 0.00 0.00 46.19 43.02 3kdf s LEU 31 CO 0.13 -1.06 -0.10 -0.62 -1.89 0.00 0.00 176.35 172.80 3kdf n GLU 32 N 7.46 0.80 -3.63 1.98 -0.58 0.31 -4.62 120.64 122.36 3kdf n GLU 32 Ca 0.19 0.07 -0.13 0.00 -0.42 0.00 0.00 57.16 56.88 3kdf n GLU 32 Cb 0.42 -1.38 -0.07 0.00 -0.57 0.00 0.00 31.44 29.85 3kdf n GLU 32 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3kdf s LYS 33 N -2.37 0.78 -0.14 3.49 2.20 -1.21 -4.99 119.74 117.50 3kdf s LYS 33 Ca -0.20 0.87 -0.03 0.00 -0.36 0.00 0.00 55.97 56.25 3kdf s LYS 33 Cb 0.06 0.38 -0.03 0.00 -1.51 0.00 0.00 37.83 36.73 3kdf s LYS 33 CO 0.48 -0.10 -0.04 0.42 -0.36 0.00 0.00 175.35 175.74 3kdf s ILE 34 N 0.25 3.86 0.44 5.43 1.01 -1.26 -0.84 121.20 130.09 3kdf s ILE 34 Ca 0.00 -0.38 -0.25 0.00 0.00 0.00 0.00 60.65 60.03 3kdf s ILE 34 Cb -0.05 -2.67 -0.08 0.00 0.01 0.00 0.00 42.46 39.67 3kdf s ILE 34 CO 0.00 0.51 1.31 -2.28 0.00 0.00 0.00 174.94 174.48 3kdf s HIS 35 N 0.18 2.68 0.55 3.97 5.65 -1.26 -4.88 115.29 122.17 3kdf s HIS 35 Ca -0.02 1.40 0.25 0.00 0.25 0.00 0.00 55.06 56.93 3kdf s HIS 35 Cb -0.14 -3.69 1.44 0.00 -1.18 0.00 0.00 32.58 29.01 3kdf s HIS 35 CO 0.03 -2.28 2.05 -1.35 -0.65 0.00 0.00 174.74 172.53 3kdf h PRO 36 N 2.33 0.00 0.00 2.88 0.11 -2.02 0.91 132.00 136.21 3kdf h PRO 36 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kdf h PRO 36 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3kdf h PRO 36 CO 0.61 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.65 3kdf n THR 37 N -4.23 0.60 -1.17 -1.15 -2.24 -1.26 -4.91 114.28 99.92 3kdf n THR 37 Ca 0.05 0.02 -0.06 0.00 -2.27 0.00 0.00 64.05 61.79 3kdf n THR 37 Cb 0.44 -0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 67.84 3kdf n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kdf n GLY 38 N 0.74 0.75 1.96 3.38 0.00 0.32 -4.80 105.19 107.54 3kdf n GLY 38 Ca 0.05 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 3kdf n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kdf n LYS 39 N -1.61 2.36 -3.58 1.61 5.02 -1.26 -0.50 118.16 120.21 3kdf n LYS 39 Ca -0.06 -3.23 -0.08 0.00 -2.02 0.00 0.00 58.31 52.92 3kdf n LYS 39 Cb 0.35 -2.12 -0.02 0.00 -0.02 0.00 0.00 35.03 33.22 3kdf n LYS 39 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3kdf s PHE 41 N -3.44 -0.33 -0.17 2.13 -0.12 -0.23 -0.49 117.98 115.33 3kdf s PHE 41 Ca 0.55 0.10 -0.04 0.00 -0.05 0.00 0.00 56.93 57.49 3kdf s PHE 41 Cb 0.46 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 43.41 3kdf s PHE 41 CO 0.04 -0.75 -0.03 0.42 -0.05 0.00 0.00 175.22 174.86 3kdf s ILE 42 N -3.39 3.94 -0.03 -4.49 -1.09 -0.02 -0.45 121.20 115.66 3kdf s ILE 42 Ca 0.06 -0.34 0.02 0.00 -2.23 0.00 0.00 60.65 58.17 3kdf s ILE 42 Cb -0.02 -2.74 -0.03 0.00 -1.58 0.00 0.00 42.46 38.10 3kdf s ILE 42 CO -0.06 0.48 -0.08 -0.76 -1.23 0.00 0.00 174.94 173.29 3kdf s LEU 43 N 0.49 3.08 -0.15 2.97 1.43 -0.64 -0.53 118.68 125.33 3kdf s LEU 43 Ca -0.03 -0.11 -0.06 0.00 -1.03 0.00 0.00 54.13 52.91 3kdf s LEU 43 Cb -0.14 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 3kdf s LEU 43 CO 0.03 0.33 0.04 -0.94 0.23 0.00 0.00 176.35 176.03 3kdf s SER 44 N -1.05 5.50 0.99 2.29 1.04 0.09 -0.41 113.70 122.16 3kdf s SER 44 Ca 0.14 0.10 -0.07 0.00 0.48 0.00 0.00 55.95 56.60 3kdf s SER 44 Cb -0.11 -1.85 0.10 0.00 0.10 0.00 0.00 66.02 64.26 3kdf s SER 44 CO 0.04 0.24 0.58 -0.90 0.98 0.00 0.00 173.24 174.18 3kdf n ASP 45 N 3.09 0.05 0.00 7.02 5.68 0.11 -0.17 116.55 132.33 3kdf n ASP 45 Ca -0.17 -1.22 0.08 0.00 -0.50 0.00 0.00 54.79 52.98 3kdf n ASP 45 Cb 0.53 -0.45 0.38 0.00 -1.14 0.00 0.00 41.12 40.44 3kdf n ASP 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kdf n GLY 46 N 1.18 -0.92 0.89 6.12 0.00 -1.26 -1.42 105.19 109.79 3kdf n GLY 46 Ca 0.07 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3kdf n GLY 46 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kdf n GLU 47 N -1.38 2.12 -1.50 1.61 0.28 -1.26 -4.33 120.64 116.18 3kdf n GLU 47 Ca 0.06 -3.00 -0.10 0.00 -0.16 0.00 0.00 57.16 53.97 3kdf n GLU 47 Cb 0.15 -1.77 -0.03 0.00 1.43 0.00 0.00 31.44 31.22 3kdf n GLU 47 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kdf n GLY 48 N -0.96 0.84 3.68 -1.84 0.00 -0.51 -5.02 105.19 101.39 3kdf n GLY 48 Ca 0.26 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 3kdf n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kdf s LYS 49 N -3.22 2.89 0.01 1.61 -0.14 -1.26 -4.82 119.74 114.81 3kdf s LYS 49 Ca 0.00 -0.50 -0.14 0.00 -1.36 0.00 0.00 55.97 53.96 3kdf s LYS 49 Cb 0.00 -2.73 -0.06 0.00 -1.68 0.00 0.00 37.83 33.36 3kdf s LYS 49 CO 0.00 0.67 0.41 -0.80 -0.76 0.00 0.00 175.35 174.86 3kdf s ASN 50 N -1.20 6.80 -0.01 2.83 0.01 -1.26 0.04 114.94 122.15 3kdf s ASN 50 Ca 0.16 0.95 0.08 0.00 -0.71 0.00 0.00 52.86 53.35 3kdf s ASN 50 Cb -0.11 -2.25 -0.02 0.00 0.41 0.00 0.00 41.25 39.28 3kdf s ASN 50 CO 0.06 0.31 -0.25 -0.83 -1.51 0.00 0.00 177.10 174.89 3kdf s GLY 51 N -1.13 1.24 -0.22 0.66 0.00 0.45 -4.85 107.32 103.47 3kdf s GLY 51 Ca 0.24 -1.10 -0.13 0.00 0.00 0.00 0.00 44.72 43.73 3kdf s GLY 51 CO 0.14 -0.93 0.28 -1.59 0.00 0.00 0.00 173.10 170.99 3kdf s THR 52 N -0.63 5.28 -0.29 0.90 2.01 -1.26 -1.63 115.64 120.03 3kdf s THR 52 Ca 0.10 0.43 -0.06 0.00 0.31 0.00 0.00 61.69 62.47 3kdf s THR 52 Cb -0.10 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 68.81 3kdf s THR 52 CO -0.00 0.30 0.07 -0.63 -0.69 0.00 0.00 174.62 173.66 3kdf s ILE 53 N 1.19 3.88 -0.14 1.82 -1.09 0.40 -0.95 121.20 126.31 3kdf s ILE 53 Ca 0.13 -0.71 -0.14 0.00 -2.23 0.00 0.00 60.65 57.70 3kdf s ILE 53 Cb -0.14 -2.99 -0.05 0.00 -1.58 0.00 0.00 42.46 37.70 3kdf s ILE 53 CO 0.06 0.10 0.31 -1.61 -1.23 0.00 0.00 174.94 172.57 3kdf s GLU 54 N 1.49 4.21 0.00 2.79 2.02 0.40 -1.07 118.70 128.54 3kdf s GLU 54 Ca 0.02 0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.16 3kdf s GLU 54 Cb -0.17 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.66 3kdf s GLU 54 CO 0.02 0.28 0.00 1.28 0.02 0.00 0.00 175.26 176.86 3kdf n LEU 55 N 3.41 0.00 -2.45 1.80 4.77 0.35 -0.96 117.00 123.93 3kdf n LEU 55 Ca -0.12 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.63 3kdf n LEU 55 Cb 0.52 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3kdf n LEU 55 CO 0.40 0.00 -0.27 -0.62 -1.33 0.00 0.00 177.39 175.57 3kdf n GLU 57 N 0.00 0.00 -1.77 3.23 -0.58 -1.26 -4.95 120.64 115.30 3kdf n GLU 57 Ca 0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 3kdf n GLU 57 Cb 0.00 -0.57 0.05 0.00 -0.57 0.00 0.00 31.44 30.35 3kdf n GLU 57 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3kdf s PRO 58 N -0.57 3.02 0.46 3.49 0.02 -1.26 -4.83 135.00 135.34 3kdf s PRO 58 Ca 0.34 2.20 -0.23 0.00 0.02 0.00 0.00 61.00 63.33 3kdf s PRO 58 Cb -0.35 -2.17 -0.09 0.00 0.02 0.00 0.00 34.50 31.90 3kdf s PRO 58 CO 0.36 -1.27 0.98 1.28 -0.33 0.00 0.00 177.00 178.02 3kdf n LEU 59 N -1.20 2.74 -0.05 -5.54 4.77 0.35 -4.95 117.00 113.11 3kdf n LEU 59 Ca 0.11 0.98 -0.22 0.00 -0.03 0.00 0.00 56.01 56.86 3kdf n LEU 59 Cb 0.46 -1.35 -0.13 0.00 -2.33 0.00 0.00 43.42 40.06 3kdf n LEU 59 CO 0.52 -1.61 -0.79 0.47 -1.33 0.00 0.00 177.39 174.65 3kdf n ASP 60 N 0.28 2.01 -4.51 -1.43 8.00 -1.26 -4.99 116.55 114.65 3kdf n ASP 60 Ca 0.10 0.27 -0.24 0.00 0.71 0.00 0.00 54.79 55.62 3kdf n ASP 60 Cb 0.41 -0.87 -0.10 0.00 -0.02 0.00 0.00 41.12 40.54 3kdf n ASP 60 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3kdf s GLU 61 N -2.49 1.73 0.53 -1.24 2.02 -1.26 -5.12 118.70 112.88 3kdf s GLU 61 Ca -0.27 -1.88 -0.22 0.00 0.02 0.00 0.00 54.97 52.62 3kdf s GLU 61 Cb 0.07 -1.54 -0.05 0.00 0.10 0.00 0.00 34.13 32.71 3kdf s GLU 61 CO 0.68 0.12 1.33 -2.00 0.02 0.00 0.00 175.26 175.40 3kdf s GLU 62 N -3.64 3.24 0.17 1.61 2.12 -1.26 -5.03 118.70 115.91 3kdf s GLU 62 Ca 0.31 2.16 0.11 0.00 0.36 0.00 0.00 54.97 57.91 3kdf s GLU 62 Cb 0.02 -2.28 -0.04 0.00 0.26 0.00 0.00 34.13 32.09 3kdf s GLU 62 CO 0.15 -1.08 -0.23 0.96 -0.54 0.00 0.00 175.26 174.52 3kdf s ILE 63 N -1.34 2.19 0.25 -3.70 -4.36 -1.26 -5.14 121.20 107.83 3kdf s ILE 63 Ca 0.70 -1.94 -0.17 0.00 -0.26 0.00 0.00 60.65 58.98 3kdf s ILE 63 Cb -0.38 -2.01 0.01 0.00 1.25 0.00 0.00 42.46 41.32 3kdf s ILE 63 CO 0.46 -0.13 0.58 -0.94 0.24 0.00 0.00 174.94 175.15 3kdf s SER 64 N -2.55 -0.19 0.32 4.36 1.04 -1.26 -5.00 113.70 110.42 3kdf s SER 64 Ca 0.18 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.90 3kdf s SER 64 Cb -0.08 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.68 3kdf s SER 64 CO 0.08 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.71 3kdf n GLY 65 N -0.40 0.72 3.69 7.32 0.00 -1.26 -4.74 105.19 110.52 3kdf n GLY 65 Ca -0.04 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 3kdf n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kdf s ILE 66 N 0.00 5.07 -0.03 -0.61 -1.09 -1.26 -0.35 121.20 122.93 3kdf s ILE 66 Ca 0.00 1.20 0.05 0.00 -2.23 0.00 0.00 60.65 59.66 3kdf s ILE 66 Cb 0.00 -3.94 -0.01 0.00 -1.58 0.00 0.00 42.46 36.94 3kdf s ILE 66 CO 0.00 0.21 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.06 3kdf s VAL 67 N 1.23 1.43 -0.25 2.92 1.01 0.28 -0.91 120.40 126.12 3kdf s VAL 67 Ca 0.31 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 3kdf s VAL 67 Cb -0.16 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3kdf s VAL 67 CO 0.13 0.41 0.07 -0.70 0.00 0.00 0.00 175.10 175.00 3kdf s GLU 68 N -0.13 3.58 -0.12 2.72 2.12 -0.30 -1.52 118.70 125.05 3kdf s GLU 68 Ca 0.00 -0.53 -0.02 0.00 0.36 0.00 0.00 54.97 54.79 3kdf s GLU 68 Cb -0.10 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 3kdf s GLU 68 CO 0.01 -0.22 -0.05 0.08 -0.54 0.00 0.00 175.26 174.54 3kdf s VAL 69 N 1.60 3.78 -0.10 3.70 1.01 0.03 -1.84 120.40 128.59 3kdf s VAL 69 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.62 3kdf s VAL 69 Cb -0.15 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 3kdf s VAL 69 CO 0.03 0.54 -0.09 -0.69 0.00 0.00 0.00 175.10 174.89 3kdf s VAL 70 N -0.11 3.48 0.00 2.92 1.01 -0.07 -0.20 120.40 127.43 3kdf s VAL 70 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3kdf s VAL 70 Cb -0.13 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.80 3kdf s VAL 70 CO 0.03 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3kdf n GLY 71 N 2.85 0.82 3.46 4.51 0.00 -0.83 -0.43 105.19 115.57 3kdf n GLY 71 Ca -0.18 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 3kdf n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kdf s ARG 72 N -1.84 2.64 0.12 1.61 3.52 -0.81 -0.85 118.95 123.33 3kdf s ARG 72 Ca 0.00 -0.69 -0.30 0.00 -0.13 0.00 0.00 55.73 54.60 3kdf s ARG 72 Cb 0.00 -2.42 -0.07 0.00 -1.56 0.00 0.00 34.95 30.91 3kdf s ARG 72 CO 0.00 0.56 1.19 0.08 -0.81 0.00 0.00 175.30 176.32 3kdf s VAL 73 N -0.57 3.83 0.67 7.11 1.01 -0.59 -0.92 120.40 130.94 3kdf s VAL 73 Ca 0.08 1.42 -0.05 0.00 0.00 0.00 0.00 61.98 63.43 3kdf s VAL 73 Cb -0.11 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.41 3kdf s VAL 73 CO 0.01 0.17 0.96 0.42 0.00 0.00 0.00 175.10 176.66 3kdf s THR 74 N 0.50 2.37 0.63 3.92 -4.23 0.97 -0.53 115.64 119.27 3kdf s THR 74 Ca 0.56 -0.36 0.34 0.00 -1.18 0.00 0.00 61.69 61.04 3kdf s THR 74 Cb -0.31 -3.00 0.37 0.00 1.34 0.00 0.00 72.50 70.90 3kdf s THR 74 CO 0.33 -0.00 2.14 0.00 -0.54 0.00 0.00 174.62 176.54 3kdf h ALA 75 N -0.44 1.44 -0.21 3.99 0.00 -1.95 -0.12 119.26 121.97 3kdf h ALA 75 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3kdf h ALA 75 Cb 1.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3kdf h ALA 75 CO 0.58 -0.21 0.00 1.63 0.00 0.00 0.00 179.25 181.25 3kdf n LYS 76 N -3.35 1.71 -2.79 0.00 4.76 -1.26 -4.91 118.16 112.32 3kdf n LYS 76 Ca -0.01 -1.07 -0.21 0.00 -2.87 0.00 0.00 58.31 54.15 3kdf n LYS 76 Cb 0.26 -1.35 0.02 0.00 -1.84 0.00 0.00 35.03 32.12 3kdf n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kdf n ALA 77 N 0.32 -0.81 -2.25 7.82 0.00 -0.06 -5.02 120.51 120.51 3kdf n ALA 77 Ca 0.15 0.24 -0.22 0.00 0.00 0.00 0.00 53.44 53.60 3kdf n ALA 77 Cb 0.30 -3.22 -0.00 0.00 0.00 0.00 0.00 19.45 16.53 3kdf n ALA 77 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kdf s THR 78 N -3.10 2.21 -0.20 0.00 -4.23 -1.26 -4.72 115.64 104.34 3kdf s THR 78 Ca 0.20 -1.33 -0.04 0.00 -1.18 0.00 0.00 61.69 59.34 3kdf s THR 78 Cb -0.09 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 3kdf s THR 78 CO 0.24 0.00 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.67 3kdf s ILE 79 N -2.61 3.72 -0.53 2.99 1.01 -0.12 -0.02 121.20 125.63 3kdf s ILE 79 Ca 0.46 -0.39 -0.25 0.00 0.00 0.00 0.00 60.65 60.46 3kdf s ILE 79 Cb -0.03 -2.67 0.04 0.00 0.01 0.00 0.00 42.46 39.80 3kdf s ILE 79 CO 0.28 0.44 0.98 -0.22 0.00 0.00 0.00 174.94 176.41 3kdf s LEU 80 N 1.01 3.97 0.05 2.97 2.96 -0.10 -0.45 118.68 129.10 3kdf s LEU 80 Ca 0.01 -0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.46 3kdf s LEU 80 Cb -0.14 -2.98 -0.05 0.00 0.50 0.00 0.00 46.19 43.51 3kdf s LEU 80 CO 0.01 -1.22 1.11 0.00 -1.32 0.00 0.00 176.35 174.93 3kdf n THR 82 N 3.75 1.00 -3.49 0.00 -2.24 0.43 -4.84 114.28 108.90 3kdf n THR 82 Ca 0.07 -0.74 -0.14 0.00 -2.27 0.00 0.00 64.05 60.97 3kdf n THR 82 Cb 0.48 -0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 68.26 3kdf n THR 82 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kdf s SER 83 N -5.30 -0.57 0.03 3.42 1.04 -1.05 -5.02 113.70 106.25 3kdf s SER 83 Ca -0.08 0.36 -0.07 0.00 0.48 0.00 0.00 55.95 56.64 3kdf s SER 83 Cb 0.09 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.73 3kdf s SER 83 CO 0.85 -0.71 0.12 -0.72 0.98 0.00 0.00 173.24 173.76 3kdf s TYR 84 N -2.29 0.13 0.00 5.02 -0.85 -1.26 -0.89 117.35 117.22 3kdf s TYR 84 Ca -0.04 -0.36 0.01 0.00 -0.52 0.00 0.00 57.07 56.15 3kdf s TYR 84 Cb -0.00 -0.10 -0.00 0.00 0.38 0.00 0.00 41.96 42.24 3kdf s TYR 84 CO -0.01 -0.35 -0.02 0.54 -1.52 0.00 0.00 175.55 174.19 3kdf s VAL 85 N -2.25 0.16 0.11 -3.49 0.11 -0.76 -4.99 120.40 109.28 3kdf s VAL 85 Ca -0.08 -0.16 -0.30 0.00 -2.93 0.00 0.00 61.98 58.51 3kdf s VAL 85 Cb -0.03 -0.16 -0.06 0.00 -1.53 0.00 0.00 36.38 34.60 3kdf s VAL 85 CO -0.03 -0.00 1.05 -1.10 -3.33 0.00 0.00 175.10 171.69 3kdf s GLN 86 N -0.18 4.59 0.14 1.54 -0.21 -1.26 -1.15 119.66 123.13 3kdf s GLN 86 Ca -0.01 1.59 -0.30 0.00 0.02 0.00 0.00 55.36 56.66 3kdf s GLN 86 Cb -0.02 -3.35 -0.07 0.00 1.00 0.00 0.00 33.01 30.57 3kdf s GLN 86 CO -0.00 0.04 1.07 -0.06 -2.12 0.00 0.00 175.29 174.22 3kdf s PHE 87 N 0.28 3.63 0.19 0.91 0.40 -0.08 -4.95 117.98 118.35 3kdf s PHE 87 Ca 0.51 1.62 -0.30 0.00 -0.60 0.00 0.00 56.93 58.16 3kdf s PHE 87 Cb -0.26 -3.23 -0.08 0.00 0.51 0.00 0.00 43.02 39.96 3kdf s PHE 87 CO 0.31 -0.46 1.27 -1.59 0.70 0.00 0.00 175.22 175.45 3kdf s LYS 88 N -0.08 4.42 -0.01 0.44 -2.85 -1.26 -4.74 119.74 115.66 3kdf s LYS 88 Ca 0.50 1.99 0.04 0.00 -1.00 0.00 0.00 55.97 57.49 3kdf s LYS 88 Cb -0.28 -3.21 0.07 0.00 -2.06 0.00 0.00 37.83 32.35 3kdf s LYS 88 CO 0.33 -0.20 1.03 0.39 0.10 0.00 0.00 175.35 177.00 3kdf n GLU 89 N 2.64 0.09 0.11 1.78 1.02 -1.26 -4.87 120.64 120.14 3kdf n GLU 89 Ca 0.06 -1.22 -0.03 0.00 -0.02 0.00 0.00 57.16 55.94 3kdf n GLU 89 Cb 0.43 -0.51 0.08 0.00 -0.02 0.00 0.00 31.44 31.42 3kdf n GLU 89 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 3kdf h ASP 90 N 0.12 0.01 0.09 1.62 2.03 -2.01 -3.31 116.42 114.96 3kdf h ASP 90 Ca -0.03 -0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 55.99 3kdf h ASP 90 Cb 1.43 -0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.91 3kdf h ASP 90 CO 0.01 0.74 -1.49 0.28 -1.03 0.00 0.00 179.24 177.75 3kdf h SER 91 N 0.00 0.30 -3.73 4.15 0.02 -2.02 -3.48 113.55 108.79 3kdf h SER 91 Ca -0.01 -0.80 -0.23 0.00 -0.84 0.00 0.00 61.79 59.91 3kdf h SER 91 Cb 1.31 -0.10 -0.28 0.00 0.14 0.00 0.00 62.40 63.47 3kdf h SER 91 CO 0.10 1.64 -0.68 -1.00 -1.14 0.00 0.00 176.83 175.74 3kdf s HIS 92 N -2.47 -0.03 0.23 3.45 3.76 -1.24 -5.13 115.29 113.85 3kdf s HIS 92 Ca -0.22 0.09 -0.30 0.00 -0.15 0.00 0.00 55.06 54.48 3kdf s HIS 92 Cb 0.05 -0.00 -0.09 0.00 1.11 0.00 0.00 32.58 33.65 3kdf s HIS 92 CO 0.73 -0.02 1.23 -2.14 -0.85 0.00 0.00 174.74 173.69 3kdf s PRO 93 N 0.08 4.46 0.06 8.40 0.02 -1.26 -4.47 135.00 142.29 3kdf s PRO 93 Ca -0.01 1.97 -0.30 0.00 0.02 0.00 0.00 61.00 62.68 3kdf s PRO 93 Cb -0.01 -3.19 -0.05 0.00 0.02 0.00 0.00 34.50 31.27 3kdf s PRO 93 CO -0.00 -0.10 1.11 0.12 -0.33 0.00 0.00 177.00 177.79 3kdf s PHE 94 N -0.35 3.54 -0.73 6.54 5.36 -1.26 -4.98 117.98 126.11 3kdf s PHE 94 Ca 0.52 1.48 -0.20 0.00 -0.96 0.00 0.00 56.93 57.77 3kdf s PHE 94 Cb -0.35 -3.30 0.10 0.00 -0.34 0.00 0.00 43.02 39.14 3kdf s PHE 94 CO 0.40 -0.75 0.93 0.34 -1.46 0.00 0.00 175.22 174.68 3kdf s ASP 95 N 0.89 6.34 0.28 6.13 -1.08 -1.26 -4.88 116.67 123.09 3kdf s ASP 95 Ca 0.55 -1.51 0.09 0.00 -0.52 0.00 0.00 52.55 51.17 3kdf s ASP 95 Cb -0.27 -2.37 0.40 0.00 -1.46 0.00 0.00 42.92 39.22 3kdf s ASP 95 CO 0.29 -1.20 1.64 0.25 0.52 0.00 0.00 175.17 176.68 3kdf h LEU 96 N 10.51 0.08 -0.46 -1.34 5.85 -1.95 -1.88 115.31 126.12 3kdf h LEU 96 Ca -0.14 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 3kdf h LEU 96 Cb 1.06 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 3kdf h LEU 96 CO 1.12 0.62 -0.07 1.23 -0.34 0.00 0.00 178.44 181.00 3kdf h GLY 97 N 1.60 0.92 0.92 3.75 0.00 -1.90 -0.35 103.07 108.00 3kdf h GLY 97 Ca -0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.58 3kdf h GLY 97 CO 0.08 0.67 0.12 -2.00 0.00 0.00 0.00 176.54 175.40 3kdf h LEU 98 N 0.70 0.45 -0.58 3.11 5.85 -1.88 -1.96 115.31 120.99 3kdf h LEU 98 Ca 0.12 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.75 3kdf h LEU 98 Cb 0.59 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 3kdf h LEU 98 CO 0.04 0.51 0.19 0.22 -0.34 0.00 0.00 178.44 179.06 3kdf h TYR 99 N 0.36 0.33 -0.51 1.25 3.20 -1.19 -0.71 116.97 119.71 3kdf h TYR 99 Ca 0.11 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.03 3kdf h TYR 99 Cb 0.21 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 3kdf h TYR 99 CO -0.00 0.07 0.34 -0.97 -1.64 0.00 0.00 178.16 175.95 3kdf h ASN 100 N 0.36 0.52 -0.57 -2.11 -1.24 -0.78 -0.57 115.58 111.18 3kdf h ASN 100 Ca 0.29 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.26 3kdf h ASN 100 Cb 0.37 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 39.27 3kdf h ASN 100 CO -0.32 0.36 0.23 -0.33 -1.29 0.00 0.00 177.43 176.09 3kdf h GLU 101 N 0.61 0.86 -0.70 6.67 4.39 -0.41 -2.10 114.58 123.89 3kdf h GLU 101 Ca 0.20 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 3kdf h GLU 101 Cb 0.05 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 3kdf h GLU 101 CO -0.05 0.74 0.34 0.00 -1.16 0.00 0.00 179.01 178.88 3kdf h ALA 102 N 1.08 1.28 -0.60 3.43 0.00 0.20 -1.66 119.26 122.98 3kdf h ALA 102 Ca 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3kdf h ALA 102 Cb 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3kdf h ALA 102 CO -0.02 0.56 0.34 0.28 0.00 0.00 0.00 179.25 180.41 3kdf h VAL 103 N 0.99 1.19 -0.67 0.00 2.07 -0.92 -0.78 116.25 118.13 3kdf h VAL 103 Ca 0.24 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 3kdf h VAL 103 Cb 0.09 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3kdf h VAL 103 CO -0.03 0.20 0.33 0.11 0.02 0.00 0.00 177.57 178.20 3kdf h LYS 104 N 0.82 0.97 -0.56 1.57 1.57 -0.97 -2.73 116.57 117.23 3kdf h LYS 104 Ca 0.21 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3kdf h LYS 104 Cb 0.03 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3kdf h LYS 104 CO -0.04 0.76 0.10 0.82 -0.57 0.00 0.00 179.45 180.52 3kdf h ILE 105 N 0.93 1.25 -0.67 1.86 2.04 -1.03 -0.33 117.51 121.56 3kdf h ILE 105 Ca 0.23 -0.96 0.13 0.00 1.00 0.00 0.00 64.86 65.27 3kdf h ILE 105 Cb 0.11 0.79 -0.10 0.00 -0.74 0.00 0.00 36.82 36.88 3kdf h ILE 105 CO -0.03 0.35 0.16 0.40 0.00 0.00 0.00 178.15 179.03 3kdf h ILE 106 N 0.82 0.59 0.00 -0.67 2.04 -1.01 -0.76 117.51 118.52 3kdf h ILE 106 Ca 0.17 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.94 3kdf h ILE 106 Cb 0.40 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3kdf h ILE 106 CO 0.01 0.05 -0.33 0.45 0.00 0.00 0.00 178.15 178.33 3kdf h HIS 107 N 0.28 0.00 0.00 1.37 3.86 -1.16 -3.10 115.15 116.39 3kdf h HIS 107 Ca 0.37 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.40 3kdf h HIS 107 Cb 0.58 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 3kdf h HIS 107 CO -0.25 0.00 -0.84 -0.44 0.86 0.00 0.00 177.93 177.26 3kdf h ASP 108 N 0.00 0.01 -2.19 2.45 3.32 -0.39 -3.38 116.42 116.23 3kdf h ASP 108 Ca 0.00 -0.01 -0.55 0.00 0.02 0.00 0.00 57.03 56.49 3kdf h ASP 108 Cb 0.90 -0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.04 3kdf h ASP 108 CO 0.00 0.84 -0.82 0.49 -1.72 0.00 0.00 179.24 178.03 3kdf n PHE 109 N -3.54 2.79 -0.19 4.55 3.72 -0.35 -4.91 117.46 119.52 3kdf n PHE 109 Ca -0.01 -3.94 0.17 0.00 -0.05 0.00 0.00 57.45 53.62 3kdf n PHE 109 Cb 0.80 -0.47 0.51 0.00 -0.94 0.00 0.00 39.48 39.39 3kdf n PHE 109 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3kdf h PRO 110 N 2.99 0.40 0.00 -1.08 0.13 -1.75 0.93 132.00 133.62 3kdf h PRO 110 Ca 0.12 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3kdf h PRO 110 Cb 0.66 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.70 3kdf h PRO 110 CO 0.71 0.26 0.00 -0.56 -0.23 0.00 0.00 178.00 178.19 3kdf h GLN 111 N 0.41 0.00 -0.05 0.86 -0.00 -1.91 -2.59 115.11 111.83 3kdf h GLN 111 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.05 3kdf h GLN 111 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.44 3kdf h GLN 111 CO -0.13 0.00 0.00 1.19 -0.00 0.00 0.00 178.83 179.89 3kdf n PHE 112 N -2.70 0.06 -3.10 0.06 3.72 0.30 -4.70 117.46 111.10 3kdf n PHE 112 Ca -0.01 -0.09 -0.19 0.00 -0.05 0.00 0.00 57.45 57.11 3kdf n PHE 112 Cb 0.14 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.63 3kdf n PHE 112 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3kdf n TYR 113 N 0.42 -1.55 -2.41 1.38 9.36 -0.98 -5.11 117.16 118.26 3kdf n TYR 113 Ca 0.05 -2.86 -0.40 0.00 3.32 0.00 0.00 57.90 58.02 3kdf n TYR 113 Cb 0.24 0.42 -0.04 0.00 -0.63 0.00 0.00 39.34 39.33 3kdf n TYR 113 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 3kdf s PRO 114 N -0.24 4.47 -0.68 2.98 0.02 -1.18 -4.76 135.00 135.62 3kdf s PRO 114 Ca 0.33 1.83 -0.20 0.00 0.02 0.00 0.00 61.00 62.99 3kdf s PRO 114 Cb 0.13 -3.04 0.10 0.00 0.02 0.00 0.00 34.50 31.71 3kdf s PRO 114 CO -0.15 0.05 0.87 -1.17 -0.33 0.00 0.00 177.00 176.27 3kdf s LEU 115 N -1.76 5.03 0.00 -5.54 2.96 -1.26 -5.13 118.68 112.97 3kdf s LEU 115 Ca 0.48 -1.43 0.00 0.00 -0.22 0.00 0.00 54.13 52.97 3kdf s LEU 115 Cb -0.32 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.02 3kdf s LEU 115 CO 0.41 -1.21 0.00 0.61 -1.32 0.00 0.00 176.35 174.84