#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbx n ALA 2 N 0.00 2.20 -2.17 3.04 0.00 -1.26 -4.56 120.51 117.77 2kbx n ALA 2 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 2kbx n ALA 2 Cb 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.08 2kbx n ALA 2 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kbx s ASN 3 N -2.16 5.46 -0.22 0.00 0.01 -1.26 -4.93 114.94 111.84 2kbx s ASN 3 Ca 0.27 -0.81 -0.29 0.00 -0.71 0.00 0.00 52.86 51.32 2kbx s ASN 3 Cb 0.14 -2.56 -0.00 0.00 0.41 0.00 0.00 41.25 39.24 2kbx s ASN 3 CO 0.25 -2.45 1.18 0.00 -1.51 0.00 0.00 177.10 174.57 2kbx s ALA 4 N 8.87 3.61 -1.15 0.60 0.00 -1.26 -4.87 121.76 127.57 2kbx s ALA 4 Ca 0.64 0.27 0.21 0.00 0.00 0.00 0.00 51.96 53.08 2kbx s ALA 4 Cb -0.05 -3.63 0.96 0.00 0.00 0.00 0.00 23.12 20.40 2kbx s ALA 4 CO -0.02 -1.25 1.68 1.28 0.00 0.00 0.00 175.76 177.45 2kbx n LEU 5 N 6.69 0.00 0.00 0.00 4.77 -1.26 -4.95 117.00 122.25 2kbx n LEU 5 Ca 0.13 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 2kbx n LEU 5 Cb 0.46 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2kbx n LEU 5 CO 0.56 -0.12 0.00 0.00 -1.33 0.00 0.00 177.39 176.50 2kbx n ALA 6 N -1.43 0.00 -2.00 -1.18 0.00 -1.26 -4.92 120.51 109.72 2kbx n ALA 6 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2kbx n ALA 6 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 2kbx n ALA 6 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kbx n SER 7 N -1.72 0.00 -4.49 0.00 7.64 -1.26 -5.04 113.62 108.75 2kbx n SER 7 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 2kbx n SER 7 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2kbx n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kbx n ALA 8 N -3.00 -1.26 -2.43 -0.43 0.00 -1.25 -4.64 120.51 107.50 2kbx n ALA 8 Ca 0.00 0.25 -0.26 0.00 0.00 0.00 0.00 53.44 53.44 2kbx n ALA 8 Cb 0.00 -1.83 -0.12 0.00 0.00 0.00 0.00 19.45 17.50 2kbx n ALA 8 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kbx s THR 9 N -1.30 2.24 0.38 0.00 -4.23 -1.26 -1.09 115.64 110.38 2kbx s THR 9 Ca 0.62 -1.99 -0.27 0.00 -1.18 0.00 0.00 61.69 58.87 2kbx s THR 9 Cb -0.66 -2.06 -0.11 0.00 1.34 0.00 0.00 72.50 71.01 2kbx s THR 9 CO 0.58 -0.14 1.24 0.00 -0.54 0.00 0.00 174.62 175.75 2kbx n GLU 11 N 0.32 1.06 0.00 0.00 4.07 0.95 -1.78 120.64 125.24 2kbx n GLU 11 Ca 0.06 -0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 2kbx n GLU 11 Cb 0.38 -1.24 0.00 0.00 -0.06 0.00 0.00 31.44 30.52 2kbx n GLU 11 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2kbx n ARG 12 N -0.64 0.00 -0.00 5.31 1.74 -1.26 -4.81 116.66 117.00 2kbx n ARG 12 Ca 0.11 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.29 2kbx n ARG 12 Cb 0.07 -0.60 -0.10 0.00 -1.02 0.00 0.00 32.46 30.80 2kbx n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kbx n LYS 14 N -1.52 -1.04 -2.73 0.00 4.76 -0.74 -4.85 118.16 112.04 2kbx n LYS 14 Ca 0.04 0.73 -0.41 0.00 -2.87 0.00 0.00 58.31 55.80 2kbx n LYS 14 Cb 0.34 -4.75 -0.04 0.00 -1.84 0.00 0.00 35.03 28.74 2kbx n LYS 14 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2kbx s GLY 15 N -2.55 2.97 -0.64 0.72 0.00 -1.26 -4.13 107.32 102.42 2kbx s GLY 15 Ca 0.00 0.56 -0.27 0.00 0.00 0.00 0.00 44.72 45.01 2kbx s GLY 15 CO 0.00 1.52 1.21 -0.32 0.00 0.00 0.00 173.10 175.51 2kbx s GLY 16 N 0.29 1.05 0.21 0.20 0.00 -1.26 0.26 107.32 108.07 2kbx s GLY 16 Ca 0.48 -1.07 0.07 0.00 0.00 0.00 0.00 44.72 44.20 2kbx s GLY 16 CO 0.29 2.54 0.07 -0.11 0.00 0.00 0.00 173.10 175.89 2kbx s PHE 17 N 5.21 2.92 -0.43 1.90 -0.12 -0.25 -4.71 117.98 122.51 2kbx s PHE 17 Ca 0.39 -0.13 -0.09 0.00 -0.05 0.00 0.00 56.93 57.05 2kbx s PHE 17 Cb -0.08 -1.36 0.09 0.00 -0.63 0.00 0.00 43.02 41.04 2kbx s PHE 17 CO 0.21 0.54 0.27 0.00 -0.05 0.00 0.00 175.22 176.19 2kbx s ALA 18 N -1.98 3.30 -0.25 1.99 0.00 -1.26 -3.81 121.76 119.75 2kbx s ALA 18 Ca 0.30 -2.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.01 2kbx s ALA 18 Cb -0.08 -2.67 -0.00 0.00 0.00 0.00 0.00 23.12 20.36 2kbx s ALA 18 CO 0.21 -1.70 2.76 -0.35 0.00 0.00 0.00 175.76 176.69 2kbx n PRO 19 N 4.91 2.00 -0.01 0.00 -0.04 -1.26 -0.11 135.00 140.49 2kbx n PRO 19 Ca -0.09 -1.53 0.01 0.00 -0.04 0.00 0.00 63.50 61.84 2kbx n PRO 19 Cb 0.42 -1.86 0.01 0.00 -0.04 0.00 0.00 33.50 32.04 2kbx n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kbx n ALA 20 N 1.28 1.99 -1.68 0.55 0.00 -1.26 -4.52 120.51 116.87 2kbx n ALA 20 Ca 0.38 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.70 2kbx n ALA 20 Cb 0.65 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2kbx n ALA 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kbx n GLU 21 N -0.56 0.00 -3.38 0.00 1.02 0.85 -4.98 120.64 113.59 2kbx n GLU 21 Ca 0.01 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.98 2kbx n GLU 21 Cb 0.29 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.63 2kbx n GLU 21 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2kbx s LYS 22 N 0.54 0.51 0.04 3.49 2.47 -1.26 -5.06 119.74 120.47 2kbx s LYS 22 Ca 0.00 -0.57 0.08 0.00 -1.56 0.00 0.00 55.97 53.91 2kbx s LYS 22 Cb 0.00 -0.70 -0.02 0.00 -1.46 0.00 0.00 37.83 35.65 2kbx s LYS 22 CO 0.00 -1.13 -0.22 -1.50 0.16 0.00 0.00 175.35 172.66 2kbx s ILE 23 N 1.80 1.75 -0.06 5.43 2.07 -1.26 -4.45 121.20 126.49 2kbx s ILE 23 Ca 0.14 -1.20 0.01 0.00 -1.41 0.00 0.00 60.65 58.19 2kbx s ILE 23 Cb -0.15 -1.51 0.02 0.00 0.13 0.00 0.00 42.46 40.95 2kbx s ILE 23 CO -0.15 0.27 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.40 2kbx s VAL 24 N -0.77 0.69 -0.21 4.00 1.01 0.14 -4.84 120.40 120.43 2kbx s VAL 24 Ca 0.08 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 2kbx s VAL 24 Cb -0.09 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 2kbx s VAL 24 CO 0.02 0.27 0.09 0.21 0.00 0.00 0.00 175.10 175.68 2kbx s ASN 25 N 1.01 5.74 -0.26 3.32 3.04 -1.26 0.18 114.94 126.71 2kbx s ASN 25 Ca -0.09 0.07 -0.03 0.00 0.04 0.00 0.00 52.86 52.84 2kbx s ASN 25 Cb -0.14 -2.00 0.09 0.00 -1.54 0.00 0.00 41.25 37.65 2kbx s ASN 25 CO -0.00 0.12 0.11 -0.55 -3.04 0.00 0.00 177.10 173.74 2kbx s SER 26 N 0.68 3.35 0.00 -4.21 0.15 -1.00 -4.82 113.70 107.85 2kbx s SER 26 Ca 0.05 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 55.52 2kbx s SER 26 Cb -0.13 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.74 2kbx s SER 26 CO 0.01 -0.41 0.00 -0.46 1.20 0.00 0.00 173.24 173.59 2kbx n ASN 27 N 5.16 0.00 0.00 5.45 0.23 -1.26 -3.63 115.26 121.21 2kbx n ASN 27 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.99 2kbx n ASN 27 Cb 0.44 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 2kbx n ASN 27 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kbx n GLY 28 N 0.00 -0.15 3.93 4.83 0.00 -1.26 -5.13 105.19 107.41 2kbx n GLY 28 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2kbx n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kbx s GLU 29 N 0.00 3.37 -0.14 1.61 8.01 -1.24 -5.08 118.70 125.22 2kbx s GLU 29 Ca 0.00 -0.66 -0.05 0.00 0.01 0.00 0.00 54.97 54.26 2kbx s GLU 29 Cb 0.00 -2.91 -0.04 0.00 -4.31 0.00 0.00 34.13 26.87 2kbx s GLU 29 CO 0.00 0.50 0.05 -0.51 0.01 0.00 0.00 175.26 175.31 2kbx s LEU 30 N -3.34 3.80 -0.02 1.80 2.01 -1.26 -2.36 118.68 119.32 2kbx s LEU 30 Ca 0.34 0.15 -0.00 0.00 0.01 0.00 0.00 54.13 54.63 2kbx s LEU 30 Cb -0.11 -1.92 0.02 0.00 0.01 0.00 0.00 46.19 44.19 2kbx s LEU 30 CO 0.28 0.27 0.03 -0.31 1.01 0.00 0.00 176.35 177.63 2kbx s TYR 31 N -0.24 0.00 0.56 0.29 1.51 0.49 0.32 117.35 120.27 2kbx s TYR 31 Ca 0.07 0.10 -0.20 0.00 -1.01 0.00 0.00 57.07 56.04 2kbx s TYR 31 Cb -0.12 -0.13 -0.05 0.00 -0.11 0.00 0.00 41.96 41.55 2kbx s TYR 31 CO 0.02 -0.06 1.21 -1.01 -1.11 0.00 0.00 175.55 174.59 2kbx s HIS 32 N 0.63 2.51 -1.62 2.71 3.76 -1.26 0.27 115.29 122.29 2kbx s HIS 32 Ca -0.05 1.51 0.00 0.00 -0.15 0.00 0.00 55.06 56.36 2kbx s HIS 32 Cb -0.07 -3.48 0.00 0.00 1.11 0.00 0.00 32.58 30.14 2kbx s HIS 32 CO -0.02 -2.08 0.53 -0.85 -0.85 0.00 0.00 174.74 171.48 2kbx n GLU 33 N -1.28 0.00 0.06 1.40 0.28 -1.26 0.38 120.64 120.22 2kbx n GLU 33 Ca 0.12 0.08 0.12 0.00 -0.16 0.00 0.00 57.16 57.32 2kbx n GLU 33 Cb 0.49 -1.51 0.18 0.00 1.43 0.00 0.00 31.44 32.03 2kbx n GLU 33 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2kbx n GLN 34 N -1.03 0.28 0.00 3.44 3.00 -1.26 -2.92 117.38 118.89 2kbx n GLN 34 Ca 0.00 0.09 0.11 0.00 -0.01 0.00 0.00 57.00 57.19 2kbx n GLN 34 Cb 0.01 -1.69 -0.04 0.00 0.00 0.00 0.00 30.24 28.52 2kbx n GLN 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kbx n PHE 36 N -0.45 4.67 -3.85 0.00 3.01 -0.54 -4.87 117.46 115.43 2kbx n PHE 36 Ca 0.08 -3.03 -0.12 0.00 1.01 0.00 0.00 57.45 55.38 2kbx n PHE 36 Cb 0.42 -2.45 -0.13 0.00 -0.01 0.00 0.00 39.48 37.31 2kbx n PHE 36 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2kbx s VAL 37 N 3.10 0.02 0.59 -4.37 -7.23 -1.26 -2.96 120.40 108.28 2kbx s VAL 37 Ca 0.49 -0.14 -0.17 0.00 -1.81 0.00 0.00 61.98 60.35 2kbx s VAL 37 Cb 0.02 -0.18 -0.04 0.00 0.56 0.00 0.00 36.38 36.74 2kbx s VAL 37 CO 0.04 -0.07 1.10 0.00 -0.31 0.00 0.00 175.10 175.86 2kbx h ALA 39 N 0.68 1.01 0.00 0.00 0.00 -1.33 5.98 119.26 125.61 2kbx h ALA 39 Ca -0.48 -0.08 -0.38 0.00 0.00 0.00 0.00 54.91 53.97 2kbx h ALA 39 Cb 1.25 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 2kbx h ALA 39 CO 0.56 0.46 -2.44 1.04 0.00 0.00 0.00 179.25 178.87 2kbx n GLN 40 N -4.49 0.66 -0.16 0.00 3.00 -1.26 -4.18 117.38 110.94 2kbx n GLN 40 Ca 0.08 0.12 0.09 0.00 -0.01 0.00 0.00 57.00 57.28 2kbx n GLN 40 Cb 0.04 -1.51 0.27 0.00 0.00 0.00 0.00 30.24 29.04 2kbx n GLN 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kbx n PHE 42 N 0.70 0.00 -3.89 0.00 1.16 1.94 -3.42 117.46 113.95 2kbx n PHE 42 Ca 0.16 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.44 2kbx n PHE 42 Cb 0.39 -0.02 -0.04 0.00 -1.61 0.00 0.00 39.48 38.20 2kbx n PHE 42 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 2kbx s GLN 43 N 0.17 3.46 0.52 3.97 -0.44 -1.25 -4.52 119.66 121.57 2kbx s GLN 43 Ca 0.00 -0.43 -0.22 0.00 -2.50 0.00 0.00 55.36 52.21 2kbx s GLN 43 Cb 0.00 -2.99 -0.07 0.00 -1.64 0.00 0.00 33.01 28.31 2kbx s GLN 43 CO 0.00 0.57 1.14 1.04 0.50 0.00 0.00 175.29 178.53 2kbx n GLN 44 N 0.05 1.37 -2.14 1.67 6.02 -1.25 -2.68 117.38 120.42 2kbx n GLN 44 Ca -0.05 0.51 -0.42 0.00 -0.01 0.00 0.00 57.00 57.02 2kbx n GLN 44 Cb 0.52 -2.30 -0.03 0.00 1.02 0.00 0.00 30.24 29.46 2kbx n GLN 44 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2kbx s PHE 45 N -1.35 2.58 0.13 1.08 0.08 -1.15 -4.86 117.98 114.49 2kbx s PHE 45 Ca 0.70 0.61 -0.30 0.00 0.12 0.00 0.00 56.93 58.06 2kbx s PHE 45 Cb -0.46 -3.76 -0.07 0.00 -0.57 0.00 0.00 43.02 38.16 2kbx s PHE 45 CO 0.51 -2.93 1.23 -1.25 -0.10 0.00 0.00 175.22 172.68 2kbx s PRO 46 N 2.90 4.44 0.00 0.24 0.04 -1.26 -2.48 135.00 138.87 2kbx s PRO 46 Ca 0.67 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.59 2kbx s PRO 46 Cb -0.32 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 30.94 2kbx s PRO 46 CO 0.27 -0.21 0.00 -0.85 0.04 0.00 0.00 177.00 176.25 2kbx n GLU 47 N 3.24 -1.19 -0.87 4.56 0.28 -1.26 -3.20 120.64 122.20 2kbx n GLU 47 Ca 0.07 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.37 2kbx n GLU 47 Cb 0.45 -4.43 0.00 0.00 1.43 0.00 0.00 31.44 28.89 2kbx n GLU 47 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kbx n GLY 48 N -0.40 0.40 3.60 -1.84 0.00 -1.04 -4.97 105.19 100.95 2kbx n GLY 48 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2kbx n GLY 48 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kbx s LEU 49 N 0.00 4.10 0.14 0.99 0.20 -1.19 -5.01 118.68 117.91 2kbx s LEU 49 Ca 0.00 0.33 0.01 0.00 0.69 0.00 0.00 54.13 55.15 2kbx s LEU 49 Cb 0.00 -2.56 -0.04 0.00 -0.43 0.00 0.00 46.19 43.16 2kbx s LEU 49 CO 0.00 -0.28 0.01 0.12 -0.29 0.00 0.00 176.35 175.91 2kbx s PHE 50 N 2.23 1.02 -0.03 5.38 2.19 -1.26 -4.22 117.98 123.30 2kbx s PHE 50 Ca 0.18 -1.09 0.00 0.00 0.33 0.00 0.00 56.93 56.36 2kbx s PHE 50 Cb -0.16 -0.59 0.03 0.00 -1.31 0.00 0.00 43.02 40.99 2kbx s PHE 50 CO 0.10 -0.32 0.01 0.71 1.83 0.00 0.00 175.22 177.55 2kbx s TYR 51 N -3.80 0.20 -0.12 10.12 2.02 -0.89 -4.77 117.35 120.11 2kbx s TYR 51 Ca 0.22 0.05 -0.15 0.00 -0.37 0.00 0.00 57.07 56.82 2kbx s TYR 51 Cb 0.07 -0.34 -0.05 0.00 -0.40 0.00 0.00 41.96 41.24 2kbx s TYR 51 CO 0.02 -0.11 0.34 -2.00 -1.57 0.00 0.00 175.55 172.23 2kbx s GLU 52 N 1.03 4.17 -0.04 -0.62 2.12 -1.26 -2.90 118.70 121.21 2kbx s GLU 52 Ca -0.10 0.21 -0.03 0.00 0.36 0.00 0.00 54.97 55.42 2kbx s GLU 52 Cb -0.13 -3.38 0.02 0.00 0.26 0.00 0.00 34.13 30.89 2kbx s GLU 52 CO -0.02 0.33 0.10 -0.06 -0.54 0.00 0.00 175.26 175.06 2kbx s PHE 53 N 0.16 -0.11 -1.36 5.30 0.08 -0.85 -4.97 117.98 116.23 2kbx s PHE 53 Ca 0.20 0.28 -0.06 0.00 0.12 0.00 0.00 56.93 57.47 2kbx s PHE 53 Cb -0.14 -0.00 0.00 0.00 -0.57 0.00 0.00 43.02 42.31 2kbx s PHE 53 CO 0.07 -0.07 0.45 0.39 -0.10 0.00 0.00 175.22 175.96 2kbx n GLU 54 N 3.29 -2.49 0.00 0.44 1.02 -1.26 -2.39 120.64 119.26 2kbx n GLU 54 Ca -0.16 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 2kbx n GLU 54 Cb 0.58 -4.22 0.00 0.00 -0.02 0.00 0.00 31.44 27.77 2kbx n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kbx n GLY 55 N -2.01 3.00 3.59 0.62 0.00 -1.26 -4.98 105.19 104.15 2kbx n GLY 55 Ca -0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 2kbx n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kbx s ARG 56 N -0.25 2.23 -0.13 1.61 3.00 -1.00 -5.11 118.95 119.29 2kbx s ARG 56 Ca 0.00 -0.97 0.02 0.00 0.00 0.00 0.00 55.73 54.78 2kbx s ARG 56 Cb 0.00 -2.36 -0.00 0.00 0.00 0.00 0.00 34.95 32.59 2kbx s ARG 56 CO 0.00 0.52 -0.18 -1.59 0.00 0.00 0.00 175.30 174.05 2kbx s LYS 57 N -2.15 3.19 0.08 3.54 0.00 -1.26 -2.01 119.74 121.12 2kbx s LYS 57 Ca 0.22 -0.79 0.02 0.00 0.00 0.00 0.00 55.97 55.42 2kbx s LYS 57 Cb -0.11 -2.50 -0.03 0.00 0.00 0.00 0.00 37.83 35.19 2kbx s LYS 57 CO 0.14 0.13 -0.08 0.71 0.00 0.00 0.00 175.35 176.25 2kbx s TYR 58 N 0.52 0.84 1.00 1.78 2.02 -1.14 -0.77 117.35 121.59 2kbx s TYR 58 Ca -0.12 -0.70 -0.11 0.00 -0.37 0.00 0.00 57.07 55.77 2kbx s TYR 58 Cb -0.16 -0.48 0.19 0.00 -0.40 0.00 0.00 41.96 41.10 2kbx s TYR 58 CO 0.04 -0.10 1.09 0.00 -1.57 0.00 0.00 175.55 175.02 2kbx h GLU 60 N -2.08 0.73 -0.00 0.00 4.11 -1.86 -0.95 114.58 114.53 2kbx h GLU 60 Ca -0.51 -0.04 0.03 0.00 0.07 0.00 0.00 59.36 58.91 2kbx h GLU 60 Cb 1.29 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.33 2kbx h GLU 60 CO 0.47 0.48 -0.29 1.25 0.07 0.00 0.00 179.01 180.99 2kbx h HIS 61 N 0.75 -0.79 -0.04 2.06 2.76 -1.91 3.70 115.15 121.69 2kbx h HIS 61 Ca 0.32 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.35 2kbx h HIS 61 Cb 0.27 0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 2kbx h HIS 61 CO -0.00 -0.38 -0.69 -0.44 -1.30 0.00 0.00 177.93 175.11 2kbx h ASP 62 N -0.44 0.22 -0.05 3.26 3.32 -1.71 -0.30 116.42 120.72 2kbx h ASP 62 Ca 0.06 -0.14 -0.13 0.00 0.02 0.00 0.00 57.03 56.84 2kbx h ASP 62 Cb 0.52 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2kbx h ASP 62 CO -0.25 0.84 -0.39 -0.26 -1.72 0.00 0.00 179.24 177.46 2kbx h PHE 63 N 0.13 0.67 0.00 4.55 0.04 -0.58 -0.87 116.94 120.88 2kbx h PHE 63 Ca -0.02 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.56 2kbx h PHE 63 Cb 1.24 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.24 2kbx h PHE 63 CO 0.02 0.87 0.00 1.96 -0.60 0.00 0.00 178.31 180.56 2kbx h GLN 64 N 0.47 0.00 0.28 1.51 7.50 0.78 3.55 115.11 129.21 2kbx h GLN 64 Ca 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.18 2kbx h GLN 64 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.42 2kbx h GLN 64 CO 0.08 0.00 -0.14 0.52 -1.50 0.00 0.00 178.83 177.79 2kbx h MET 65 N 0.00 -0.37 0.00 1.46 2.86 0.40 5.67 114.93 124.95 2kbx h MET 65 Ca 0.00 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2kbx h MET 65 Cb 0.20 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2kbx h MET 65 CO 0.00 -0.03 0.00 1.28 1.06 0.00 0.00 176.91 179.22 2kbx n LEU 66 N -5.09 0.73 -0.00 1.22 4.77 0.87 -2.53 117.00 116.97 2kbx n LEU 66 Ca -0.09 0.63 0.02 0.00 -0.03 0.00 0.00 56.01 56.54 2kbx n LEU 66 Cb 0.26 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 2kbx n LEU 66 CO 0.29 -0.40 -0.01 0.49 -1.33 0.00 0.00 177.39 176.44 2kbx n PHE 67 N -2.25 0.00 -3.13 -1.77 3.72 1.14 -4.76 117.46 110.41 2kbx n PHE 67 Ca 0.04 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.23 2kbx n PHE 67 Cb 0.32 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.81 2kbx n PHE 67 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kbx n ALA 68 N -1.10 1.89 -0.72 4.37 0.00 1.84 -4.88 120.51 121.92 2kbx n ALA 68 Ca 0.01 -3.15 -0.14 0.00 0.00 0.00 0.00 53.44 50.16 2kbx n ALA 68 Cb 0.07 -0.89 0.20 0.00 0.00 0.00 0.00 19.45 18.83 2kbx n ALA 68 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2kbx n PRO 69 N 1.23 -3.43 -0.22 0.00 -0.05 -1.05 -4.37 135.00 127.11 2kbx n PRO 69 Ca 0.20 -1.18 0.00 0.00 -0.05 0.00 0.00 63.50 62.47 2kbx n PRO 69 Cb 0.56 -1.31 0.00 0.00 -0.05 0.00 0.00 33.50 32.70 2kbx n PRO 69 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45