#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kyz s ARG 2 N 0.00 0.70 -0.10 0.03 1.70 -1.26 -1.01 118.95 119.01 2kyz s ARG 2 Ca 0.00 -1.07 -0.03 0.00 -0.47 0.00 0.00 55.73 54.16 2kyz s ARG 2 Cb 0.00 -0.28 0.05 0.00 -0.57 0.00 0.00 34.95 34.15 2kyz s ARG 2 CO 0.00 0.02 0.12 0.71 -1.08 0.00 0.00 175.30 175.07 2kyz s TYR 3 N -2.52 -0.04 -0.53 5.89 2.02 -0.70 -1.21 117.35 120.27 2kyz s TYR 3 Ca 0.02 0.25 -0.26 0.00 -0.37 0.00 0.00 57.07 56.71 2kyz s TYR 3 Cb -0.02 -0.43 0.03 0.00 -0.40 0.00 0.00 41.96 41.14 2kyz s TYR 3 CO -0.02 -0.34 1.00 0.54 -1.57 0.00 0.00 175.55 175.16 2kyz s VAL 4 N 2.23 4.32 0.75 0.71 0.11 0.80 -3.16 120.40 126.15 2kyz s VAL 4 Ca 0.04 0.58 -0.10 0.00 -2.93 0.00 0.00 61.98 59.57 2kyz s VAL 4 Cb -0.13 -4.56 0.06 0.00 -1.53 0.00 0.00 36.38 30.22 2kyz s VAL 4 CO -0.06 -1.09 1.11 -0.76 -3.33 0.00 0.00 175.10 170.96 2kyz s LEU 5 N 4.14 2.68 -0.30 2.54 1.43 0.14 -1.70 118.68 127.61 2kyz s LEU 5 Ca 0.36 0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 54.16 2kyz s LEU 5 Cb -0.11 -3.32 0.10 0.00 0.03 0.00 0.00 46.19 42.90 2kyz s LEU 5 CO 0.23 -1.70 0.12 -0.47 0.23 0.00 0.00 176.35 174.76 2kyz s TYR 6 N -3.42 0.93 -0.61 0.29 5.04 0.62 -3.46 117.35 116.74 2kyz s TYR 6 Ca 0.60 -1.26 0.04 0.00 -2.44 0.00 0.00 57.07 54.01 2kyz s TYR 6 Cb -0.11 -1.26 0.15 0.00 0.35 0.00 0.00 41.96 41.09 2kyz s TYR 6 CO 0.48 -0.85 0.38 0.54 -1.34 0.00 0.00 175.55 174.76 2kyz s VAL 7 N 1.88 2.85 0.14 3.14 0.11 -0.23 0.63 120.40 128.92 2kyz s VAL 7 Ca 0.09 -3.68 0.32 0.00 -2.93 0.00 0.00 61.98 55.78 2kyz s VAL 7 Cb -0.17 -2.92 0.32 0.00 -1.53 0.00 0.00 36.38 32.09 2kyz s VAL 7 CO -0.32 -0.89 1.97 1.55 -3.33 0.00 0.00 175.10 174.08 2kyz h PRO 8 N 6.11 0.00 0.00 1.54 0.13 -1.88 -2.59 132.00 135.30 2kyz h PRO 8 Ca 0.02 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 2kyz h PRO 8 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 2kyz h PRO 8 CO 0.71 0.00 -0.04 -0.44 -0.23 0.00 0.00 178.00 178.00 2kyz h ASP 9 N 0.00 0.00 -0.02 1.44 5.19 -1.91 -2.37 116.42 118.75 2kyz h ASP 9 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2kyz h ASP 9 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 2kyz h ASP 9 CO 0.00 0.04 0.00 -0.38 -3.12 0.00 0.00 179.24 175.78 2kyz n ILE 10 N -3.23 0.08 -0.08 0.35 5.41 -0.98 -4.31 119.36 116.60 2kyz n ILE 10 Ca -0.01 -0.04 0.12 0.00 1.00 0.00 0.00 62.75 63.82 2kyz n ILE 10 Cb 0.23 -0.42 0.50 0.00 -0.71 0.00 0.00 39.64 39.25 2kyz n ILE 10 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2kyz h SER 11 N 0.12 0.36 -2.61 4.38 0.87 -1.63 -3.42 113.55 111.63 2kyz h SER 11 Ca 0.00 0.01 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 2kyz h SER 11 Cb 0.47 -0.07 -0.07 0.00 -0.44 0.00 0.00 62.40 62.29 2kyz h SER 11 CO 0.01 0.22 -0.58 0.00 -0.53 0.00 0.00 176.83 175.95 2kyz h ASN 13 N 2.25 0.00 -0.77 0.00 -0.73 -1.95 -1.88 115.58 112.50 2kyz h ASN 13 Ca -0.48 0.00 0.09 0.00 1.87 0.00 0.00 56.30 57.78 2kyz h ASN 13 Cb 1.21 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.73 2kyz h ASN 13 CO 0.62 0.47 0.42 -0.74 -0.37 0.00 0.00 177.43 177.83 2kyz h HIS 14 N 0.00 0.77 -0.83 0.67 2.76 -1.96 -2.52 115.15 114.04 2kyz h HIS 14 Ca -0.00 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2kyz h HIS 14 Cb 1.11 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.80 2kyz h HIS 14 CO 0.00 0.32 0.50 0.00 -1.30 0.00 0.00 177.93 177.45 2kyz h LYS 16 N 1.14 0.14 -0.94 0.00 3.64 -1.43 -0.60 116.57 118.53 2kyz h LYS 16 Ca 0.30 -0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.80 2kyz h LYS 16 Cb -0.05 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.66 2kyz h LYS 16 CO -0.06 0.10 0.60 0.52 -2.27 0.00 0.00 179.45 178.34 2kyz h MET 17 N 0.15 0.81 -0.39 1.90 2.86 -1.42 -1.37 114.93 117.46 2kyz h MET 17 Ca 0.30 -0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.95 2kyz h MET 17 Cb 0.46 -0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.89 2kyz h MET 17 CO -0.46 0.53 0.08 0.00 1.06 0.00 0.00 176.91 178.12 2kyz h ARG 18 N 0.83 0.20 0.77 1.72 3.08 -1.09 -0.86 114.38 119.03 2kyz h ARG 18 Ca 0.47 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.47 2kyz h ARG 18 Cb 0.61 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.62 2kyz h ARG 18 CO -0.23 0.13 -0.37 0.82 -1.07 0.00 0.00 179.97 179.25 2kyz h ILE 19 N 0.20 0.00 -0.98 2.04 5.03 -1.35 -3.20 117.51 119.25 2kyz h ILE 19 Ca 0.19 -0.14 0.04 0.00 -0.12 0.00 0.00 64.86 64.83 2kyz h ILE 19 Cb 0.23 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 33.96 2kyz h ILE 19 CO -0.25 0.00 0.64 0.28 -0.68 0.00 0.00 178.15 178.14 2kyz h SER 20 N -1.17 1.07 -0.13 1.72 0.02 -0.88 0.29 113.55 114.47 2kyz h SER 20 Ca -0.11 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 60.88 2kyz h SER 20 Cb 0.79 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 63.03 2kyz h SER 20 CO 0.17 0.73 -0.29 0.11 -1.14 0.00 0.00 176.83 176.42 2kyz h LYS 21 N 1.24 -0.35 0.00 3.45 1.79 -1.27 0.30 116.57 121.73 2kyz h LYS 21 Ca 0.39 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.88 2kyz h LYS 21 Cb 0.00 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.73 2kyz h LYS 21 CO -0.13 -0.23 -0.02 0.00 -1.08 0.00 0.00 179.45 178.00 2kyz h ALA 22 N 0.51 1.02 0.09 3.86 0.00 -1.01 -2.80 119.26 120.93 2kyz h ALA 22 Ca 0.10 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 2kyz h ALA 22 Cb 0.51 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kyz h ALA 22 CO -0.33 0.02 -1.15 -0.07 0.00 0.00 0.00 179.25 177.71 2kyz h LEU 23 N 0.00 0.29 -0.58 0.00 3.38 -0.19 -3.26 115.31 114.95 2kyz h LEU 23 Ca -0.00 -0.83 0.02 0.00 0.09 0.00 0.00 57.88 57.15 2kyz h LEU 23 Cb 0.36 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2kyz h LEU 23 CO 0.00 1.50 0.37 -0.33 0.09 0.00 0.00 178.44 180.07 2kyz h GLU 24 N -0.49 0.72 -0.39 1.13 5.08 -0.72 0.21 114.58 120.12 2kyz h GLU 24 Ca -0.25 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2kyz h GLU 24 Cb 1.59 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.66 2kyz h GLU 24 CO 0.03 0.48 0.26 1.05 -1.00 0.00 0.00 179.01 179.82 2kyz h GLU 25 N 0.74 0.51 0.00 2.33 4.11 -1.70 -3.14 114.58 117.43 2kyz h GLU 25 Ca 0.22 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.62 2kyz h GLU 25 Cb -0.03 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.10 2kyz h GLU 25 CO -0.07 0.34 0.00 -0.11 0.07 0.00 0.00 179.01 179.24 2kyz n LEU 26 N -4.47 0.00 -0.05 3.06 0.00 0.06 -4.76 117.00 110.83 2kyz n LEU 26 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 56.01 56.06 2kyz n LEU 26 Cb 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 43.42 43.45 2kyz n LEU 26 CO 0.35 -0.02 -0.01 0.61 0.00 0.00 0.00 177.39 178.33 2kyz n GLY 27 N -0.32 0.46 3.70 -3.96 0.00 -1.19 -5.04 105.19 98.85 2kyz n GLY 27 Ca 0.08 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 2kyz n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kyz s VAL 28 N -2.01 2.51 0.00 1.61 0.11 -1.22 -4.98 120.40 116.42 2kyz s VAL 28 Ca 0.00 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 2kyz s VAL 28 Cb 0.00 -2.36 0.00 0.00 -1.53 0.00 0.00 36.38 32.49 2kyz s VAL 28 CO 0.00 -0.22 0.02 0.29 -3.33 0.00 0.00 175.10 171.86 2kyz n LYS 29 N -3.99 1.02 -3.41 1.54 4.76 -1.26 -4.88 118.16 111.93 2kyz n LYS 29 Ca 0.11 -0.02 -0.18 0.00 -2.87 0.00 0.00 58.31 55.35 2kyz n LYS 29 Cb 0.52 -0.21 -0.10 0.00 -1.84 0.00 0.00 35.03 33.40 2kyz n LYS 29 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2kyz s ASN 30 N -0.15 1.71 0.25 4.39 -0.87 -1.26 -5.10 114.94 113.91 2kyz s ASN 30 Ca 0.00 -0.72 -0.10 0.00 -1.57 0.00 0.00 52.86 50.47 2kyz s ASN 30 Cb 0.00 0.47 -0.01 0.00 -0.02 0.00 0.00 41.25 41.70 2kyz s ASN 30 CO 0.00 -0.39 0.44 -0.72 -2.57 0.00 0.00 177.10 173.86 2kyz s TYR 31 N 2.35 0.54 -0.05 2.20 1.13 -1.26 -0.82 117.35 121.44 2kyz s TYR 31 Ca 0.09 -0.87 -0.20 0.00 -1.41 0.00 0.00 57.07 54.68 2kyz s TYR 31 Cb -0.14 0.08 0.04 0.00 -1.10 0.00 0.00 41.96 40.83 2kyz s TYR 31 CO -0.31 -0.97 0.45 -1.21 -2.51 0.00 0.00 175.55 170.99 2kyz s GLU 32 N -3.90 0.76 -0.17 -3.49 2.02 -0.28 -5.00 118.70 108.64 2kyz s GLU 32 Ca 0.25 0.09 -0.01 0.00 0.02 0.00 0.00 54.97 55.33 2kyz s GLU 32 Cb 0.00 0.35 0.04 0.00 0.10 0.00 0.00 34.13 34.63 2kyz s GLU 32 CO 0.11 -0.20 -0.04 0.08 0.02 0.00 0.00 175.26 175.22 2kyz s VAL 33 N -1.00 1.09 -0.44 2.63 1.01 -1.26 -0.94 120.40 121.49 2kyz s VAL 33 Ca -0.10 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 2kyz s VAL 33 Cb -0.03 -1.30 0.09 0.00 0.00 0.00 0.00 36.38 35.13 2kyz s VAL 33 CO 0.05 0.07 0.29 -0.55 0.00 0.00 0.00 175.10 174.97 2kyz s SER 34 N 1.63 5.69 0.04 3.32 0.15 0.37 -4.97 113.70 119.93 2kyz s SER 34 Ca -0.00 -1.62 -0.24 0.00 0.70 0.00 0.00 55.95 54.78 2kyz s SER 34 Cb -0.16 -2.01 -0.17 0.00 -1.71 0.00 0.00 66.02 61.97 2kyz s SER 34 CO -0.07 -0.59 1.52 0.58 1.20 0.00 0.00 173.24 175.87 2kyz h VAL 35 N 6.07 1.14 -0.76 4.45 2.07 -1.82 0.06 116.25 127.48 2kyz h VAL 35 Ca -0.23 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 66.81 2kyz h VAL 35 Cb 1.08 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 2kyz h VAL 35 CO 0.80 0.13 0.49 -0.33 0.02 0.00 0.00 177.57 178.68 2kyz h GLU 36 N -0.24 0.94 0.00 1.57 5.08 -1.86 -2.02 114.58 118.05 2kyz h GLU 36 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2kyz h GLU 36 Cb 0.23 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2kyz h GLU 36 CO 0.00 0.62 -0.18 0.39 -1.00 0.00 0.00 179.01 178.85 2kyz n GLU 37 N -4.60 0.02 -3.34 2.33 1.02 -1.17 -4.94 120.64 109.96 2kyz n GLU 37 Ca 0.08 0.01 -0.24 0.00 -0.02 0.00 0.00 57.16 56.99 2kyz n GLU 37 Cb 0.06 -1.52 0.02 0.00 -0.02 0.00 0.00 31.44 29.99 2kyz n GLU 37 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2kyz n LYS 38 N -1.55 -4.69 -4.26 3.49 5.02 -0.03 -4.94 118.16 111.20 2kyz n LYS 38 Ca 0.06 0.69 -0.20 0.00 -2.02 0.00 0.00 58.31 56.84 2kyz n LYS 38 Cb 0.34 -5.52 -0.12 0.00 -0.02 0.00 0.00 35.03 29.71 2kyz n LYS 38 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2kyz s LYS 39 N -6.02 0.93 0.12 1.97 1.02 -0.96 -1.07 119.74 115.74 2kyz s LYS 39 Ca 0.42 -0.96 0.08 0.00 0.02 0.00 0.00 55.97 55.54 2kyz s LYS 39 Cb -0.21 -1.00 -0.04 0.00 -0.52 0.00 0.00 37.83 36.06 2kyz s LYS 39 CO 0.52 0.23 -0.20 0.08 -0.92 0.00 0.00 175.35 175.06 2kyz s VAL 40 N -1.14 1.73 -0.05 3.17 1.01 -1.22 -0.48 120.40 123.41 2kyz s VAL 40 Ca 0.01 -1.65 0.04 0.00 0.00 0.00 0.00 61.98 60.38 2kyz s VAL 40 Cb -0.09 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.65 2kyz s VAL 40 CO 0.02 -0.14 -0.18 -0.69 0.00 0.00 0.00 175.10 174.11 2kyz s VAL 41 N -1.44 1.51 -0.03 2.92 1.01 -0.12 -0.68 120.40 123.57 2kyz s VAL 41 Ca 0.09 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.40 2kyz s VAL 41 Cb -0.09 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 2kyz s VAL 41 CO 0.05 0.43 -0.24 0.68 0.00 0.00 0.00 175.10 176.02 2kyz s VAL 42 N 0.16 1.92 -0.67 2.92 -7.23 -1.19 -1.12 120.40 115.19 2kyz s VAL 42 Ca -0.07 -1.03 -0.10 0.00 -1.81 0.00 0.00 61.98 58.97 2kyz s VAL 42 Cb -0.13 -1.60 0.17 0.00 0.56 0.00 0.00 36.38 35.38 2kyz s VAL 42 CO 0.03 0.54 0.57 -0.70 -0.31 0.00 0.00 175.10 175.23 2kyz s GLU 43 N -0.45 3.04 0.34 4.82 2.12 0.00 -1.72 118.70 126.86 2kyz s GLU 43 Ca 0.06 -2.25 0.05 0.00 0.36 0.00 0.00 54.97 53.19 2kyz s GLU 43 Cb -0.10 -4.14 -0.03 0.00 0.26 0.00 0.00 34.13 30.12 2kyz s GLU 43 CO 0.00 -1.25 0.21 -0.08 -0.54 0.00 0.00 175.26 173.60 2kyz s THR 44 N 0.53 0.22 -0.44 -1.70 -1.32 -0.18 -4.56 115.64 108.20 2kyz s THR 44 Ca 0.13 -2.00 0.22 0.00 -1.21 0.00 0.00 61.69 58.83 2kyz s THR 44 Cb -0.18 -2.45 -0.21 0.00 -1.51 0.00 0.00 72.50 68.14 2kyz s THR 44 CO -0.04 0.00 0.80 -0.62 -2.21 0.00 0.00 174.62 172.54 2kyz n GLU 45 N -0.69 0.40 -3.72 7.08 1.02 -1.26 -2.88 120.64 120.59 2kyz n GLU 45 Ca 0.02 -0.07 -0.30 0.00 -0.02 0.00 0.00 57.16 56.80 2kyz n GLU 45 Cb 0.64 -1.57 -0.14 0.00 -0.02 0.00 0.00 31.44 30.35 2kyz n GLU 45 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2kyz s ASN 46 N -4.09 3.82 0.20 1.62 3.04 -1.26 -4.99 114.94 113.29 2kyz s ASN 46 Ca -0.00 -2.16 -0.10 0.00 0.04 0.00 0.00 52.86 50.64 2kyz s ASN 46 Cb 0.14 -0.95 0.20 0.00 -1.54 0.00 0.00 41.25 39.10 2kyz s ASN 46 CO 0.86 -0.34 1.81 0.25 -3.04 0.00 0.00 177.10 176.64 2kyz h LEU 47 N 7.37 0.55 -1.07 3.21 5.85 -1.98 -2.73 115.31 126.52 2kyz h LEU 47 Ca -0.06 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.80 2kyz h LEU 47 Cb 0.97 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.83 2kyz h LEU 47 CO 0.47 0.37 0.62 -0.78 -0.34 0.00 0.00 178.44 178.77 2kyz h ASP 48 N 0.69 0.88 -0.54 1.25 1.82 -1.98 0.43 116.42 118.97 2kyz h ASP 48 Ca 0.28 0.05 0.11 0.00 -0.39 0.00 0.00 57.03 57.07 2kyz h ASP 48 Cb 0.13 -0.13 -0.09 0.00 0.68 0.00 0.00 39.33 39.92 2kyz h ASP 48 CO -0.15 0.46 0.00 -1.28 -1.61 0.00 0.00 179.24 176.66 2kyz h SER 49 N 0.94 -0.23 -0.07 2.28 0.87 -1.92 0.58 113.55 116.00 2kyz h SER 49 Ca 0.48 0.13 -0.10 0.00 -1.23 0.00 0.00 61.79 61.08 2kyz h SER 49 Cb 0.52 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2kyz h SER 49 CO -0.25 -0.08 -0.34 0.58 -0.53 0.00 0.00 176.83 176.21 2kyz h VAL 50 N 0.12 1.42 -0.98 2.23 2.07 -1.17 -3.01 116.25 116.93 2kyz h VAL 50 Ca 0.27 -1.74 0.04 0.00 0.82 0.00 0.00 66.70 66.09 2kyz h VAL 50 Cb 0.42 2.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.45 2kyz h VAL 50 CO -0.45 0.50 0.64 -0.07 0.02 0.00 0.00 177.57 178.21 2kyz h LEU 51 N -0.13 1.05 -0.49 2.57 3.38 -0.32 0.13 115.31 121.49 2kyz h LEU 51 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kyz h LEU 51 Cb 0.99 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2kyz h LEU 51 CO 0.07 0.71 0.33 0.11 0.09 0.00 0.00 178.44 179.75 2kyz h LYS 52 N 1.22 0.65 -0.33 1.13 1.57 -0.98 -2.21 116.57 117.62 2kyz h LYS 52 Ca 0.39 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 59.07 2kyz h LYS 52 Cb 0.03 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2kyz h LYS 52 CO -0.13 0.43 -0.08 -0.22 -0.57 0.00 0.00 179.45 178.88 2kyz h LYS 53 N 0.67 0.54 -0.24 3.15 1.63 -0.89 0.18 116.57 121.61 2kyz h LYS 53 Ca 0.18 -0.15 0.01 0.00 -0.85 0.00 0.00 60.65 59.85 2kyz h LYS 53 Cb -0.07 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.47 2kyz h LYS 53 CO -0.04 0.63 0.12 -0.07 -3.45 0.00 0.00 179.45 176.64 2kyz h LEU 54 N 0.51 0.18 -0.61 5.20 -0.00 -0.68 -2.62 115.31 117.28 2kyz h LEU 54 Ca 0.10 0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 57.90 2kyz h LEU 54 Cb 0.45 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.06 2kyz h LEU 54 CO 0.02 0.14 0.06 -0.33 -0.00 0.00 0.00 178.44 178.33 2kyz h GLU 55 N 0.26 1.05 -0.07 1.13 5.08 -0.91 -0.88 114.58 120.24 2kyz h GLU 55 Ca 0.10 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2kyz h GLU 55 Cb 0.03 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2kyz h GLU 55 CO -0.07 1.00 0.00 0.39 -1.00 0.00 0.00 179.01 179.33 2kyz n GLU 56 N -4.24 0.82 -0.05 2.33 1.02 0.59 -1.85 120.64 119.27 2kyz n GLU 56 Ca 0.03 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.19 2kyz n GLU 56 Cb 0.31 -1.03 0.04 0.00 -0.02 0.00 0.00 31.44 30.74 2kyz n GLU 56 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2kyz n ILE 57 N -0.45 0.99 -1.34 -3.67 -5.35 -0.99 -4.98 119.36 103.56 2kyz n ILE 57 Ca 0.00 -0.99 -0.04 0.00 -0.27 0.00 0.00 62.75 61.45 2kyz n ILE 57 Cb 0.02 0.51 -0.01 0.00 -1.74 0.00 0.00 39.64 38.41 2kyz n ILE 57 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2kyz n ASP 58 N -0.21 -3.13 -3.57 7.28 2.03 -0.77 -5.02 116.55 113.16 2kyz n ASP 58 Ca 0.03 0.08 -0.30 0.00 0.52 0.00 0.00 54.79 55.12 2kyz n ASP 58 Cb 0.30 -1.35 -0.07 0.00 -0.72 0.00 0.00 41.12 39.27 2kyz n ASP 58 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2kyz n TYR 59 N -3.15 3.47 -1.99 -0.67 4.02 -0.37 -5.01 117.16 113.46 2kyz n TYR 59 Ca -0.04 -3.97 -0.43 0.00 -0.01 0.00 0.00 57.90 53.45 2kyz n TYR 59 Cb 0.23 -0.68 -0.03 0.00 -0.02 0.00 0.00 39.34 38.84 2kyz n TYR 59 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2kyz s PRO 60 N -2.38 3.45 0.23 -0.72 0.04 -1.26 -3.67 135.00 130.68 2kyz s PRO 60 Ca 0.37 1.56 -0.31 0.00 0.04 0.00 0.00 61.00 62.65 2kyz s PRO 60 Cb 0.11 -4.17 -0.14 0.00 0.04 0.00 0.00 34.50 30.34 2kyz s PRO 60 CO -0.02 -1.72 1.35 1.55 0.04 0.00 0.00 177.00 178.20 2kyz n VAL 61 N 7.18 0.98 0.07 -0.36 3.14 -1.26 -4.83 118.33 123.25 2kyz n VAL 61 Ca 0.22 -0.25 -0.03 0.00 -2.96 0.00 0.00 64.34 61.33 2kyz n VAL 61 Cb 0.46 -1.34 -0.01 0.00 -1.06 0.00 0.00 33.84 31.89 2kyz n VAL 61 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2kyz h GLU 62 N 3.96 -0.20 -4.69 1.45 4.81 -0.18 -3.49 114.58 116.24 2kyz h GLU 62 Ca -0.45 0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 58.52 2kyz h GLU 62 Cb 1.29 0.04 -0.15 0.00 0.63 0.00 0.00 28.75 30.57 2kyz h GLU 62 CO 0.74 -0.13 -0.62 -1.12 -0.73 0.00 0.00 179.01 177.14 2kyz s SER 63 N -3.71 0.61 0.16 1.04 0.01 -1.21 -4.98 113.70 105.61 2kyz s SER 63 Ca -0.03 -1.35 -0.05 0.00 1.31 0.00 0.00 55.95 55.83 2kyz s SER 63 Cb 0.00 0.28 -0.03 0.00 0.21 0.00 0.00 66.02 66.48 2kyz s SER 63 CO 0.09 -0.77 0.17 -0.72 0.41 0.00 0.00 173.24 172.42 2kyz s TYR 64 N -3.97 0.71 -0.09 2.43 -0.85 -1.26 -0.27 117.35 114.05 2kyz s TYR 64 Ca 0.36 -1.06 -0.23 0.00 -0.52 0.00 0.00 57.07 55.62 2kyz s TYR 64 Cb 0.07 -0.30 0.05 0.00 0.38 0.00 0.00 41.96 42.16 2kyz s TYR 64 CO 0.11 -0.64 0.54 -0.65 -1.52 0.00 0.00 175.55 173.39 2kyz s GLN 65 N -4.04 0.82 0.40 -3.49 -0.21 -0.69 -4.98 119.66 107.49 2kyz s GLN 65 Ca 0.24 0.30 -0.26 0.00 0.02 0.00 0.00 55.36 55.65 2kyz s GLN 65 Cb 0.05 0.39 -0.09 0.00 1.00 0.00 0.00 33.01 34.36 2kyz s GLN 65 CO 0.03 -0.21 1.30 -2.00 -2.12 0.00 0.00 175.29 172.29 2kyz s GLU 66 N -0.76 3.99 0.00 2.91 2.12 -1.26 -0.14 118.70 125.55 2kyz s GLU 66 Ca -0.08 2.15 0.00 0.00 0.36 0.00 0.00 54.97 57.39 2kyz s GLU 66 Cb -0.03 -2.77 0.00 0.00 0.26 0.00 0.00 34.13 31.59 2kyz s GLU 66 CO 0.05 -0.47 0.00 1.33 -0.54 0.00 0.00 175.26 175.63