#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyc s GLU 20 N 0.00 2.25 0.11 1.61 2.12 -1.26 -4.96 118.70 118.57 3kyc s GLU 20 Ca 0.00 -2.01 0.08 0.00 0.36 0.00 0.00 54.97 53.40 3kyc s GLU 20 Cb 0.00 -2.12 -0.04 0.00 0.26 0.00 0.00 34.13 32.23 3kyc s GLU 20 CO 0.00 -0.64 -0.12 0.71 -0.54 0.00 0.00 175.26 174.67 3kyc s TYR 21 N -2.77 2.67 0.03 5.30 1.51 -1.26 -0.94 117.35 121.89 3kyc s TYR 21 Ca 0.35 -0.19 0.04 0.00 -1.01 0.00 0.00 57.07 56.26 3kyc s TYR 21 Cb -0.02 -1.40 -0.02 0.00 -0.11 0.00 0.00 41.96 40.41 3kyc s TYR 21 CO 0.22 0.42 -0.12 0.96 -1.11 0.00 0.00 175.55 175.92 3kyc s ILE 22 N -1.22 0.90 -0.15 2.71 -4.36 0.22 -4.89 121.20 114.42 3kyc s ILE 22 Ca 0.20 -0.91 -0.27 0.00 -0.26 0.00 0.00 60.65 59.41 3kyc s ILE 22 Cb -0.11 -0.84 -0.01 0.00 1.25 0.00 0.00 42.46 42.75 3kyc s ILE 22 CO 0.13 -0.06 0.88 -0.75 0.24 0.00 0.00 174.94 175.38 3kyc s LYS 23 N -1.10 4.34 0.10 0.37 2.36 -1.26 0.91 119.74 125.47 3kyc s LYS 23 Ca -0.01 1.13 0.10 0.00 -2.55 0.00 0.00 55.97 54.65 3kyc s LYS 23 Cb -0.08 -3.56 -0.04 0.00 -1.05 0.00 0.00 37.83 33.11 3kyc s LYS 23 CO 0.01 -0.31 -0.26 -0.51 1.55 0.00 0.00 175.35 175.82 3kyc s LEU 24 N 2.07 2.27 -0.06 5.43 1.43 0.10 -1.33 118.68 128.59 3kyc s LEU 24 Ca 0.41 -0.69 0.06 0.00 -1.03 0.00 0.00 54.13 52.88 3kyc s LEU 24 Cb -0.17 -1.21 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 3kyc s LEU 24 CO 0.14 0.20 -0.23 -1.59 0.23 0.00 0.00 176.35 175.09 3kyc s LYS 25 N -1.78 2.43 -0.30 1.70 -2.85 -0.46 -0.80 119.74 117.68 3kyc s LYS 25 Ca 0.13 -0.84 -0.10 0.00 -1.00 0.00 0.00 55.97 54.15 3kyc s LYS 25 Cb -0.10 -2.05 -0.03 0.00 -2.06 0.00 0.00 37.83 33.60 3kyc s LYS 25 CO 0.05 0.33 0.17 0.08 0.10 0.00 0.00 175.35 176.08 3kyc s VAL 26 N -0.07 4.88 -0.13 1.79 1.01 -0.21 0.01 120.40 127.68 3kyc s VAL 26 Ca -0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 3kyc s VAL 26 Cb -0.14 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 3kyc s VAL 26 CO 0.04 0.15 0.04 -0.63 0.00 0.00 0.00 175.10 174.70 3kyc s ILE 27 N 1.68 4.62 0.37 2.22 1.09 0.15 -1.56 121.20 129.76 3kyc s ILE 27 Ca 0.06 -0.11 0.01 0.00 -1.10 0.00 0.00 60.65 59.50 3kyc s ILE 27 Cb -0.16 -3.01 -0.02 0.00 -1.06 0.00 0.00 42.46 38.20 3kyc s ILE 27 CO 0.08 0.55 0.57 -0.83 -0.10 0.00 0.00 174.94 175.21 3kyc s GLY 28 N -0.37 1.41 0.20 6.18 0.00 -0.80 -1.12 107.32 112.82 3kyc s GLY 28 Ca 0.08 -1.00 -0.11 0.00 0.00 0.00 0.00 44.72 43.69 3kyc s GLY 28 CO 0.02 -0.91 1.80 1.46 0.00 0.00 0.00 173.10 175.46 3kyc h GLN 29 N 0.68 0.57 -1.93 2.90 4.20 -1.91 -2.56 115.11 117.07 3kyc h GLN 29 Ca -0.49 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.19 3kyc h GLN 29 Cb 1.23 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.88 3kyc h GLN 29 CO 0.60 0.38 0.00 -0.40 -0.67 0.00 0.00 178.83 178.74 3kyc n ASP 30 N -4.84 1.05 -1.00 1.46 5.75 -1.26 -4.82 116.55 112.90 3kyc n ASP 30 Ca 0.06 -1.06 0.00 0.00 -0.01 0.00 0.00 54.79 53.79 3kyc n ASP 30 Cb 0.16 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 3kyc n ASP 30 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 3kyc n SER 31 N 1.58 0.00 -4.89 -1.12 2.88 -0.97 -4.95 113.62 106.16 3kyc n SER 31 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 3kyc n SER 31 Cb 0.11 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.61 3kyc n SER 31 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3kyc s SER 32 N -1.27 5.56 -0.47 -3.46 0.15 -1.24 -4.86 113.70 108.11 3kyc s SER 32 Ca 0.00 1.09 0.06 0.00 0.70 0.00 0.00 55.95 57.80 3kyc s SER 32 Cb 0.00 -1.95 0.18 0.00 -1.71 0.00 0.00 66.02 62.54 3kyc s SER 32 CO 0.00 -1.24 0.55 -0.70 1.20 0.00 0.00 173.24 173.04 3kyc s GLU 33 N -5.28 0.99 -0.02 5.44 2.12 -1.26 -1.91 118.70 118.78 3kyc s GLU 33 Ca 0.57 -1.52 -0.24 0.00 0.36 0.00 0.00 54.97 54.14 3kyc s GLU 33 Cb -0.11 -0.67 -0.04 0.00 0.26 0.00 0.00 34.13 33.57 3kyc s GLU 33 CO 0.51 -1.35 0.74 0.42 -0.54 0.00 0.00 175.26 175.04 3kyc s ILE 34 N 0.53 4.91 0.04 -3.70 -1.09 -0.60 -4.88 121.20 116.41 3kyc s ILE 34 Ca 0.31 1.55 -0.03 0.00 -2.23 0.00 0.00 60.65 60.24 3kyc s ILE 34 Cb 0.01 -4.08 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 3kyc s ILE 34 CO -0.12 0.30 0.25 -1.00 -1.23 0.00 0.00 174.94 173.14 3kyc s HIS 35 N 0.43 3.54 0.01 3.97 3.76 -1.26 -1.05 115.29 124.68 3kyc s HIS 35 Ca 0.39 0.42 0.00 0.00 -0.15 0.00 0.00 55.06 55.72 3kyc s HIS 35 Cb -0.19 -1.88 -0.01 0.00 1.11 0.00 0.00 32.58 31.61 3kyc s HIS 35 CO 0.21 0.58 -0.02 -0.06 -0.85 0.00 0.00 174.74 174.60 3kyc s PHE 36 N -1.43 0.15 -0.27 1.40 0.08 0.02 -4.99 117.98 112.94 3kyc s PHE 36 Ca 0.32 -0.22 -0.08 0.00 0.12 0.00 0.00 56.93 57.07 3kyc s PHE 36 Cb -0.13 -0.11 -0.03 0.00 -0.57 0.00 0.00 43.02 42.19 3kyc s PHE 36 CO 0.22 -0.07 0.11 0.21 -0.10 0.00 0.00 175.22 175.59 3kyc s LYS 37 N -0.60 3.67 0.02 0.44 2.20 -1.26 -0.73 119.74 123.49 3kyc s LYS 37 Ca -0.06 -0.48 0.03 0.00 -0.36 0.00 0.00 55.97 55.10 3kyc s LYS 37 Cb -0.04 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 3kyc s LYS 37 CO -0.00 -0.22 -0.11 0.14 -0.36 0.00 0.00 175.35 174.80 3kyc s VAL 38 N 1.65 0.81 -0.10 4.02 -7.23 0.26 -4.93 120.40 114.87 3kyc s VAL 38 Ca 0.06 -0.79 -0.30 0.00 -1.81 0.00 0.00 61.98 59.15 3kyc s VAL 38 Cb -0.16 -0.75 -0.01 0.00 0.56 0.00 0.00 36.38 36.02 3kyc s VAL 38 CO 0.06 -0.03 1.02 -0.75 -0.31 0.00 0.00 175.10 175.09 3kyc s LYS 39 N -0.92 4.42 0.47 4.82 2.20 -1.26 0.71 119.74 130.18 3kyc s LYS 39 Ca -0.01 1.42 0.08 0.00 -0.36 0.00 0.00 55.97 57.11 3kyc s LYS 39 Cb -0.07 -3.54 0.45 0.00 -1.51 0.00 0.00 37.83 33.16 3kyc s LYS 39 CO 0.01 -0.33 1.15 1.98 -0.36 0.00 0.00 175.35 177.79 3kyc h MET 40 N 7.13 0.00 -0.01 4.03 1.85 -1.38 0.49 114.93 127.03 3kyc h MET 40 Ca -0.31 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.78 3kyc h MET 40 Cb 1.15 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.18 3kyc h MET 40 CO 0.86 0.00 -0.38 0.25 -0.40 0.00 0.00 176.91 177.24 3kyc n THR 41 N -2.20 0.00 -1.90 -0.77 -2.24 -1.26 -1.64 114.28 104.26 3kyc n THR 41 Ca -0.01 -0.24 -0.39 0.00 -2.27 0.00 0.00 64.05 61.14 3kyc n THR 41 Cb 0.64 1.03 0.01 0.00 -2.10 0.00 0.00 70.33 69.91 3kyc n THR 41 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kyc s THR 42 N -2.44 2.30 -0.26 4.28 2.01 0.17 -4.88 115.64 116.81 3kyc s THR 42 Ca 0.21 0.26 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 3kyc s THR 42 Cb 0.19 -3.15 -0.00 0.00 0.01 0.00 0.00 72.50 69.54 3kyc s THR 42 CO 0.54 0.03 1.31 -1.00 -0.69 0.00 0.00 174.62 174.81 3kyc s HIS 43 N -1.24 2.69 -0.34 4.92 3.76 -1.26 -4.03 115.29 119.78 3kyc s HIS 43 Ca 0.60 0.88 0.16 0.00 -0.15 0.00 0.00 55.06 56.56 3kyc s HIS 43 Cb -0.41 -3.82 0.89 0.00 1.11 0.00 0.00 32.58 30.35 3kyc s HIS 43 CO 0.52 -1.77 1.49 1.28 -0.85 0.00 0.00 174.74 175.41 3kyc n LEU 44 N 7.43 0.42 -0.09 0.89 4.77 -0.78 -0.10 117.00 129.55 3kyc n LEU 44 Ca 0.15 0.69 0.01 0.00 -0.03 0.00 0.00 56.01 56.82 3kyc n LEU 44 Cb 0.46 -0.73 0.31 0.00 -2.33 0.00 0.00 43.42 41.13 3kyc n LEU 44 CO 0.61 -0.83 1.13 0.50 -1.33 0.00 0.00 177.39 177.47 3kyc h LYS 45 N 0.00 0.73 -0.74 3.23 3.64 -1.41 -1.66 116.57 120.36 3kyc h LYS 45 Ca 0.00 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3kyc h LYS 45 Cb 0.06 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 3kyc h LYS 45 CO 0.00 0.54 0.46 0.87 -2.27 0.00 0.00 179.45 179.05 3kyc h LYS 46 N 0.74 1.00 -0.48 1.90 1.79 -0.76 -0.27 116.57 120.49 3kyc h LYS 46 Ca 0.19 -0.08 -0.11 0.00 -2.18 0.00 0.00 60.65 58.47 3kyc h LYS 46 Cb 0.03 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.45 3kyc h LYS 46 CO -0.03 0.69 -0.12 1.25 -1.08 0.00 0.00 179.45 180.16 3kyc h LEU 47 N 1.02 0.93 -0.49 2.94 6.46 -1.47 0.11 115.31 124.81 3kyc h LEU 47 Ca 0.27 -0.36 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 3kyc h LEU 47 Cb -0.06 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.59 3kyc h LEU 47 CO -0.05 1.08 0.27 0.11 -0.62 0.00 0.00 178.44 179.23 3kyc h LYS 48 N 0.77 0.67 -0.17 1.25 1.57 -0.66 0.11 116.57 120.11 3kyc h LYS 48 Ca 0.12 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3kyc h LYS 48 Cb 0.67 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3kyc h LYS 48 CO 0.05 0.52 0.06 0.93 -0.57 0.00 0.00 179.45 180.43 3kyc h GLU 49 N 0.64 0.26 -0.55 3.15 5.08 -0.96 -0.87 114.58 121.33 3kyc h GLU 49 Ca 0.17 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.57 3kyc h GLU 49 Cb 0.04 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 3kyc h GLU 49 CO -0.03 0.37 -0.39 1.03 -1.00 0.00 0.00 179.01 178.99 3kyc h SER 50 N 0.10 -1.33 -0.11 1.42 0.87 -0.47 -2.38 113.55 111.65 3kyc h SER 50 Ca 0.06 0.23 0.04 0.00 -1.23 0.00 0.00 61.79 60.89 3kyc h SER 50 Cb 0.22 0.62 -0.06 0.00 -0.44 0.00 0.00 62.40 62.73 3kyc h SER 50 CO -0.00 -0.33 -0.35 0.22 -0.53 0.00 0.00 176.83 175.84 3kyc h TYR 51 N -0.21 -0.97 0.00 2.24 3.20 -0.35 -2.20 116.97 118.67 3kyc h TYR 51 Ca 0.20 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 3kyc h TYR 51 Cb 0.56 0.44 -0.00 0.00 1.54 0.00 0.00 36.73 39.27 3kyc h TYR 51 CO -0.66 -0.42 -0.15 0.00 -1.64 0.00 0.00 178.16 175.29 3kyc h GLN 53 N 0.00 -0.08 0.00 0.00 4.15 -1.25 -1.36 115.11 116.57 3kyc h GLN 53 Ca -0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3kyc h GLN 53 Cb 0.32 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.02 3kyc h GLN 53 CO 0.02 0.48 0.00 -2.13 -1.93 0.00 0.00 178.83 175.27 3kyc n ARG 54 N -4.84 0.40 0.00 1.69 0.63 -0.85 -2.87 116.66 110.83 3kyc n ARG 54 Ca -0.08 0.05 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 3kyc n ARG 54 Cb 0.30 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.71 3kyc n ARG 54 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3kyc n GLN 55 N -1.09 0.49 -3.27 -0.14 -0.06 -0.92 -5.07 117.38 107.31 3kyc n GLN 55 Ca 0.10 -0.26 -0.26 0.00 -2.00 0.00 0.00 57.00 54.58 3kyc n GLN 55 Cb 0.07 -0.73 0.03 0.00 -4.06 0.00 0.00 30.24 25.55 3kyc n GLN 55 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3kyc n GLY 56 N 0.15 -0.42 3.32 1.69 0.00 -0.62 -5.04 105.19 104.27 3kyc n GLY 56 Ca 0.00 1.08 -0.13 0.00 0.00 0.00 0.00 46.02 46.96 3kyc n GLY 56 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kyc s VAL 57 N -1.75 0.01 0.36 1.61 -7.23 -0.61 -5.04 120.40 107.75 3kyc s VAL 57 Ca 0.30 -0.06 -0.26 0.00 -1.81 0.00 0.00 61.98 60.15 3kyc s VAL 57 Cb -0.04 -0.62 -0.09 0.00 0.56 0.00 0.00 36.38 36.18 3kyc s VAL 57 CO 0.77 -0.03 1.11 -2.16 -0.31 0.00 0.00 175.10 174.48 3kyc s PRO 58 N -0.02 4.27 0.00 4.82 0.04 -1.26 -4.61 135.00 138.23 3kyc s PRO 58 Ca -0.02 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.74 3kyc s PRO 58 Cb -0.03 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.73 3kyc s PRO 58 CO 0.01 -0.10 0.18 -0.12 0.04 0.00 0.00 177.00 177.01 3kyc n MET 59 N 0.36 0.00 -0.43 4.56 0.00 -1.26 -2.18 117.12 118.17 3kyc n MET 59 Ca 0.03 0.18 -0.03 0.00 -0.00 0.00 0.00 57.70 57.88 3kyc n MET 59 Cb 0.47 -0.65 -0.04 0.00 0.00 0.00 0.00 33.22 33.00 3kyc n MET 59 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3kyc n ASN 60 N -0.36 3.36 -1.10 6.12 4.13 -1.26 -2.59 115.26 123.56 3kyc n ASN 60 Ca 0.00 -1.97 0.11 0.00 1.68 0.00 0.00 54.58 54.40 3kyc n ASN 60 Cb 0.00 -0.78 0.26 0.00 -1.54 0.00 0.00 39.78 37.72 3kyc n ASN 60 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3kyc n SER 61 N 2.04 3.25 -4.23 6.41 3.41 -0.93 -4.99 113.62 118.58 3kyc n SER 61 Ca 0.10 -1.96 -0.13 0.00 -0.26 0.00 0.00 58.87 56.61 3kyc n SER 61 Cb 0.41 -0.31 -0.10 0.00 -0.26 0.00 0.00 64.21 63.95 3kyc n SER 61 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kyc s LEU 62 N -1.30 1.34 -0.15 1.04 1.43 -1.07 -4.30 118.68 115.66 3kyc s LEU 62 Ca 0.40 -1.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.06 3kyc s LEU 62 Cb 0.22 0.26 0.07 0.00 0.03 0.00 0.00 46.19 46.77 3kyc s LEU 62 CO 0.30 -0.80 0.32 -0.60 0.23 0.00 0.00 176.35 175.81 3kyc s ARG 63 N -4.11 0.24 -0.21 1.70 3.52 -0.39 -4.98 118.95 114.71 3kyc s ARG 63 Ca 0.38 0.80 -0.08 0.00 -0.13 0.00 0.00 55.73 56.70 3kyc s ARG 63 Cb 0.07 0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.48 3kyc s ARG 63 CO 0.12 -0.24 0.09 -0.06 -0.81 0.00 0.00 175.30 174.40 3kyc s PHE 64 N 2.16 3.22 -0.11 5.12 0.40 -1.26 -0.93 117.98 126.57 3kyc s PHE 64 Ca -0.03 -0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.32 3kyc s PHE 64 Cb -0.11 -2.17 -0.01 0.00 0.51 0.00 0.00 43.02 41.24 3kyc s PHE 64 CO -0.10 0.00 -0.18 -0.51 0.70 0.00 0.00 175.22 175.13 3kyc s LEU 65 N 0.86 2.42 -0.20 -0.37 1.02 0.18 -2.03 118.68 120.56 3kyc s LEU 65 Ca 0.05 -0.43 -0.02 0.00 0.02 0.00 0.00 54.13 53.75 3kyc s LEU 65 Cb -0.13 -1.51 0.00 0.00 0.02 0.00 0.00 46.19 44.56 3kyc s LEU 65 CO 0.03 0.18 -0.10 0.12 0.02 0.00 0.00 176.35 176.59 3kyc s PHE 66 N 0.26 2.88 -0.68 0.29 5.36 -0.41 -1.03 117.98 124.67 3kyc s PHE 66 Ca -0.13 -1.13 -0.13 0.00 -0.96 0.00 0.00 56.93 54.58 3kyc s PHE 66 Cb -0.16 -2.01 0.02 0.00 -0.34 0.00 0.00 43.02 40.52 3kyc s PHE 66 CO 0.07 -0.59 0.63 0.39 -1.46 0.00 0.00 175.22 174.26 3kyc n GLU 67 N 4.59 -1.69 -0.13 10.12 1.02 -1.26 -1.55 120.64 131.74 3kyc n GLU 67 Ca -0.19 1.16 0.00 0.00 -0.02 0.00 0.00 57.16 58.11 3kyc n GLU 67 Cb 0.51 -2.98 0.00 0.00 -0.02 0.00 0.00 31.44 28.95 3kyc n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kyc n GLY 68 N -1.14 0.00 3.55 0.62 0.00 -1.26 -4.89 105.19 102.06 3kyc n GLY 68 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3kyc n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kyc s GLN 69 N -0.26 3.27 0.65 1.61 2.00 -0.59 -5.06 119.66 121.28 3kyc s GLN 69 Ca 0.00 -0.52 -0.18 0.00 -2.00 0.00 0.00 55.36 52.66 3kyc s GLN 69 Cb 0.00 -2.78 -0.13 0.00 0.80 0.00 0.00 33.01 30.89 3kyc s GLN 69 CO 0.00 0.44 -0.19 -2.13 -0.50 0.00 0.00 175.29 172.91 3kyc n ARG 70 N 2.92 0.05 -3.92 1.67 0.63 -1.26 -1.28 116.66 115.47 3kyc n ARG 70 Ca -0.18 0.02 -0.29 0.00 -0.92 0.00 0.00 57.85 56.48 3kyc n ARG 70 Cb 0.53 -1.12 -0.16 0.00 0.45 0.00 0.00 32.46 32.15 3kyc n ARG 70 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3kyc s ILE 71 N -1.98 1.32 0.45 5.15 1.01 -0.86 -4.66 121.20 121.64 3kyc s ILE 71 Ca 0.54 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 3kyc s ILE 71 Cb -0.40 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.48 3kyc s ILE 71 CO 0.69 0.02 0.81 0.00 0.00 0.00 0.00 174.94 176.46 3kyc s ALA 72 N 1.52 3.33 0.44 9.38 0.00 -1.26 -4.75 121.76 130.42 3kyc s ALA 72 Ca -0.02 -0.27 0.38 0.00 0.00 0.00 0.00 51.96 52.04 3kyc s ALA 72 Cb -0.17 -2.72 1.43 0.00 0.00 0.00 0.00 23.12 21.66 3kyc s ALA 72 CO -0.07 -0.19 1.36 -0.25 0.00 0.00 0.00 175.76 176.61 3kyc n ASP 73 N -1.75 0.08 -0.03 0.00 9.92 -1.26 -1.62 116.55 121.89 3kyc n ASP 73 Ca 0.02 1.01 0.04 0.00 -0.53 0.00 0.00 54.79 55.33 3kyc n ASP 73 Cb 0.54 -0.50 -0.03 0.00 -0.64 0.00 0.00 41.12 40.49 3kyc n ASP 73 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3kyc n ASN 74 N -4.00 0.48 -4.31 -2.24 3.02 -1.26 -1.21 115.26 105.74 3kyc n ASN 74 Ca 0.37 -0.74 -0.35 0.00 -0.03 0.00 0.00 54.58 53.84 3kyc n ASN 74 Cb 1.60 0.91 0.08 0.00 -0.61 0.00 0.00 39.78 41.75 3kyc n ASN 74 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3kyc n HIS 75 N -1.02 -2.32 -4.04 3.10 8.25 -0.64 -4.69 115.22 113.85 3kyc n HIS 75 Ca 0.02 0.21 -0.12 0.00 -0.26 0.00 0.00 57.72 57.57 3kyc n HIS 75 Cb 0.12 -1.73 -0.12 0.00 1.12 0.00 0.00 29.99 29.39 3kyc n HIS 75 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3kyc s THR 76 N -2.13 0.37 0.40 1.59 2.01 -1.26 -1.87 115.64 114.76 3kyc s THR 76 Ca 0.55 -0.85 0.09 0.00 0.31 0.00 0.00 61.69 61.80 3kyc s THR 76 Cb -0.26 -0.44 0.30 0.00 0.01 0.00 0.00 72.50 72.11 3kyc s THR 76 CO 0.69 -0.32 1.99 -0.65 -0.69 0.00 0.00 174.62 175.63 3kyc h PRO 77 N 4.86 0.55 0.82 4.92 0.11 -1.70 0.92 132.00 142.49 3kyc h PRO 77 Ca -0.33 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.71 3kyc h PRO 77 Cb 1.20 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 32.20 3kyc h PRO 77 CO 0.43 0.37 -0.40 1.57 -0.21 0.00 0.00 178.00 179.76 3kyc h LYS 78 N 0.57 -1.07 -0.78 1.05 2.10 -1.64 0.28 116.57 117.09 3kyc h LYS 78 Ca 0.27 0.07 0.13 0.00 -2.00 0.00 0.00 60.65 59.12 3kyc h LYS 78 Cb 0.32 0.24 -0.09 0.00 -0.90 0.00 0.00 32.23 31.81 3kyc h LYS 78 CO -0.08 -0.71 0.36 0.93 -2.00 0.00 0.00 179.45 177.95 3kyc h GLU 79 N -1.12 0.53 -0.00 0.07 5.08 -1.43 0.35 114.58 118.05 3kyc h GLU 79 Ca -0.11 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3kyc h GLU 79 Cb 0.85 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3kyc h GLU 79 CO 0.19 0.35 -0.02 1.28 -1.00 0.00 0.00 179.01 179.80 3kyc n LEU 80 N -4.92 0.18 -3.03 1.33 4.77 0.16 -4.95 117.00 110.54 3kyc n LEU 80 Ca 0.14 0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 56.15 3kyc n LEU 80 Cb 0.39 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3kyc n LEU 80 CO 0.21 0.03 0.20 0.61 -1.33 0.00 0.00 177.39 177.11 3kyc n GLY 81 N 1.17 -1.23 3.65 -0.72 0.00 0.12 -5.00 105.19 103.18 3kyc n GLY 81 Ca 0.18 0.78 -0.35 0.00 0.00 0.00 0.00 46.02 46.63 3kyc n GLY 81 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kyc s MET 82 N -2.94 3.67 0.65 1.61 -1.94 0.96 -5.03 119.30 116.28 3kyc s MET 82 Ca 0.10 -0.36 0.05 0.00 -1.71 0.00 0.00 55.69 53.77 3kyc s MET 82 Cb -0.03 -3.08 0.11 0.00 2.01 0.00 0.00 34.83 33.85 3kyc s MET 82 CO 0.77 0.41 0.90 -1.21 -0.01 0.00 0.00 175.02 175.88 3kyc s GLU 83 N -0.05 1.96 0.79 2.03 2.02 -1.26 -4.85 118.70 119.34 3kyc s GLU 83 Ca 0.05 -1.42 -0.12 0.00 0.02 0.00 0.00 54.97 53.50 3kyc s GLU 83 Cb -0.12 -2.49 0.07 0.00 0.10 0.00 0.00 34.13 31.68 3kyc s GLU 83 CO 0.01 -1.18 1.14 -2.00 0.02 0.00 0.00 175.26 173.26 3kyc s GLU 84 N -4.91 1.92 0.00 1.61 2.56 -1.26 -3.71 118.70 114.91 3kyc s GLU 84 Ca 0.64 1.46 0.00 0.00 0.00 0.00 0.00 54.97 57.08 3kyc s GLU 84 Cb -0.05 -1.84 0.00 0.00 2.00 0.00 0.00 34.13 34.24 3kyc s GLU 84 CO 0.42 -1.94 0.00 0.39 -0.56 0.00 0.00 175.26 173.57 3kyc n GLU 85 N -3.39 0.00 -0.92 4.30 -0.58 -0.44 -4.95 120.64 114.66 3kyc n GLU 85 Ca 0.11 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.49 3kyc n GLU 85 Cb 0.52 -3.41 0.07 0.00 -0.57 0.00 0.00 31.44 28.05 3kyc n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3kyc n ASP 86 N 0.00 -3.69 -4.18 1.62 9.92 -1.24 -4.53 116.55 114.44 3kyc n ASP 86 Ca 0.00 0.07 -0.26 0.00 -0.53 0.00 0.00 54.79 54.06 3kyc n ASP 86 Cb 0.00 -0.73 -0.16 0.00 -0.64 0.00 0.00 41.12 39.59 3kyc n ASP 86 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3kyc s VAL 87 N -2.08 1.51 -0.04 2.53 1.01 -1.26 -1.36 120.40 120.71 3kyc s VAL 87 Ca 0.43 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.65 3kyc s VAL 87 Cb -0.05 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 3kyc s VAL 87 CO 0.71 0.43 -0.19 -0.63 0.00 0.00 0.00 175.10 175.42 3kyc s ILE 88 N -0.33 1.55 -0.18 2.22 1.01 0.10 -4.55 121.20 121.02 3kyc s ILE 88 Ca 0.05 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 3kyc s ILE 88 Cb -0.08 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 3kyc s ILE 88 CO 0.00 0.44 -0.07 -1.61 0.00 0.00 0.00 174.94 173.70 3kyc s GLU 89 N -0.10 3.43 -0.19 2.79 2.02 -0.19 0.32 118.70 126.77 3kyc s GLU 89 Ca -0.01 -0.63 -0.09 0.00 0.02 0.00 0.00 54.97 54.27 3kyc s GLU 89 Cb -0.11 -2.87 -0.05 0.00 0.10 0.00 0.00 34.13 31.20 3kyc s GLU 89 CO 0.02 0.01 0.10 0.08 0.02 0.00 0.00 175.26 175.48 3kyc s VAL 90 N 0.94 5.13 -0.15 2.63 1.01 -0.28 0.48 120.40 130.16 3kyc s VAL 90 Ca -0.01 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3kyc s VAL 90 Cb -0.15 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.92 3kyc s VAL 90 CO 0.00 0.46 -0.21 -0.31 0.00 0.00 0.00 175.10 175.04 3kyc s TYR 91 N 0.30 2.68 -0.20 5.22 4.12 -0.11 -3.46 117.35 125.91 3kyc s TYR 91 Ca 0.06 -1.45 -0.08 0.00 0.02 0.00 0.00 57.07 55.62 3kyc s TYR 91 Cb -0.12 -1.84 -0.04 0.00 -1.52 0.00 0.00 41.96 38.44 3kyc s TYR 91 CO -0.01 -0.68 0.08 -1.14 0.02 0.00 0.00 175.55 173.82 3kyc s GLN 92 N 1.00 3.98 -0.48 -0.62 0.74 -1.26 -1.26 119.66 121.77 3kyc s GLN 92 Ca -0.02 -0.34 -0.29 0.00 0.05 0.00 0.00 55.36 54.76 3kyc s GLN 92 Cb -0.15 -3.29 0.02 0.00 1.10 0.00 0.00 33.01 30.70 3kyc s GLN 92 CO -0.06 0.20 1.24 -1.21 -0.55 0.00 0.00 175.29 174.90 3kyc s GLU 93 N 0.60 3.64 0.50 1.67 2.02 -1.26 -5.04 118.70 120.82 3kyc s GLU 93 Ca 0.04 0.63 -0.22 0.00 0.02 0.00 0.00 54.97 55.45 3kyc s GLU 93 Cb -0.13 -3.96 -0.07 0.00 0.10 0.00 0.00 34.13 30.07 3kyc s GLU 93 CO 0.01 -1.50 1.17 -0.65 0.02 0.00 0.00 175.26 174.31 3kyc s GLN 94 N 4.70 3.56 -0.02 1.61 -1.52 -1.26 -4.93 119.66 121.80 3kyc s GLN 94 Ca 0.51 1.75 0.03 0.00 -1.95 0.00 0.00 55.36 55.70 3kyc s GLN 94 Cb -0.09 -2.25 0.04 0.00 -0.22 0.00 0.00 33.01 30.49 3kyc s GLN 94 CO 0.31 -0.71 0.84 0.00 -0.25 0.00 0.00 175.29 175.48 3kyc n GLY 96 N -0.36 -0.55 0.00 0.00 0.00 -1.26 -5.39 105.19 97.63 3kyc n GLY 96 Ca 0.02 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.21 3kyc n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93