#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kau s ILE 2 N 0.00 1.29 0.13 1.12 1.01 -1.26 -5.10 121.20 118.39 2kau s ILE 2 Ca 0.00 -0.66 -0.35 0.00 0.00 0.00 0.00 60.65 59.64 2kau s ILE 2 Cb 0.00 -1.38 -0.15 0.00 0.01 0.00 0.00 42.46 40.94 2kau s ILE 2 CO 0.00 0.23 1.43 -2.65 0.00 0.00 0.00 174.94 173.95 2kau n PRO 3 N 4.83 1.59 -1.78 2.79 -0.02 -1.26 -2.02 135.00 139.13 2kau n PRO 3 Ca -0.13 0.57 -0.19 0.00 -2.02 0.00 0.00 63.50 61.73 2kau n PRO 3 Cb 0.48 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 2kau n PRO 3 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kau n GLY 4 N 2.84 1.15 3.78 -1.23 0.00 -1.26 -4.98 105.19 105.49 2kau n GLY 4 Ca 0.17 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2kau n GLY 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kau s GLU 5 N -3.98 3.15 0.24 1.61 -1.05 -0.86 -5.04 118.70 112.77 2kau s GLU 5 Ca 0.00 1.47 0.01 0.00 -0.15 0.00 0.00 54.97 56.30 2kau s GLU 5 Cb 0.00 -1.99 -0.04 0.00 -0.44 0.00 0.00 34.13 31.66 2kau s GLU 5 CO 0.00 -0.98 0.41 0.71 0.95 0.00 0.00 175.26 176.34 2kau s TYR 6 N -2.08 3.48 -0.52 4.83 4.12 -1.26 -5.05 117.35 120.88 2kau s TYR 6 Ca 0.69 0.23 0.04 0.00 0.02 0.00 0.00 57.07 58.06 2kau s TYR 6 Cb -0.21 -1.77 0.17 0.00 -1.52 0.00 0.00 41.96 38.62 2kau s TYR 6 CO 0.33 0.35 0.39 -1.58 0.02 0.00 0.00 175.55 175.07 2kau s HIS 7 N -1.98 2.00 0.03 2.71 5.65 -1.26 -5.09 115.29 117.35 2kau s HIS 7 Ca 0.37 -2.69 -0.30 0.00 0.25 0.00 0.00 55.06 52.69 2kau s HIS 7 Cb -0.10 -1.58 -0.04 0.00 -1.18 0.00 0.00 32.58 29.67 2kau s HIS 7 CO 0.30 -0.72 1.13 0.08 -0.65 0.00 0.00 174.74 174.88 2kau s VAL 8 N -0.48 4.33 0.25 0.89 1.01 -1.26 -5.02 120.40 120.12 2kau s VAL 8 Ca 0.30 1.67 -0.30 0.00 0.00 0.00 0.00 61.98 63.65 2kau s VAL 8 Cb 0.00 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 2kau s VAL 8 CO -0.18 0.12 1.05 -1.59 0.00 0.00 0.00 175.10 174.49 2kau s LYS 9 N 1.16 4.70 0.84 2.72 -2.85 -1.26 -5.01 119.74 120.04 2kau s LYS 9 Ca 0.56 1.68 -0.11 0.00 -1.00 0.00 0.00 55.97 57.10 2kau s LYS 9 Cb -0.26 -3.24 0.10 0.00 -2.06 0.00 0.00 37.83 32.37 2kau s LYS 9 CO 0.28 0.28 1.14 -1.25 0.10 0.00 0.00 175.35 175.90 2kau s PRO 10 N -1.14 1.59 0.00 1.78 0.04 -1.26 -4.93 135.00 131.08 2kau s PRO 10 Ca 0.44 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2kau s PRO 10 Cb -0.29 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2kau s PRO 10 CO 0.37 -2.19 0.00 0.41 0.04 0.00 0.00 177.00 175.63 2kau n GLY 11 N -0.20 0.77 3.17 0.56 0.00 -1.26 -5.12 105.19 103.11 2kau n GLY 11 Ca 0.11 -2.05 -0.11 0.00 0.00 0.00 0.00 46.02 43.97 2kau n GLY 11 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kau s GLN 12 N -1.19 0.97 -0.10 1.61 -0.21 -1.26 -5.15 119.66 114.33 2kau s GLN 12 Ca 0.00 -1.46 0.03 0.00 0.02 0.00 0.00 55.36 53.95 2kau s GLN 12 Cb 0.00 0.11 -0.00 0.00 1.00 0.00 0.00 33.01 34.12 2kau s GLN 12 CO 0.00 -0.23 -0.21 0.42 -2.12 0.00 0.00 175.29 173.15 2kau s ILE 13 N -3.95 2.30 -0.14 1.08 -1.09 -1.26 -5.10 121.20 113.04 2kau s ILE 13 Ca 0.24 -0.94 -0.22 0.00 -2.23 0.00 0.00 60.65 57.51 2kau s ILE 13 Cb 0.07 -1.90 -0.03 0.00 -1.58 0.00 0.00 42.46 39.02 2kau s ILE 13 CO 0.02 0.55 0.65 0.00 -1.23 0.00 0.00 174.94 174.94 2kau s ALA 14 N 0.30 3.46 -0.03 9.38 0.00 -1.26 -5.06 121.76 128.54 2kau s ALA 14 Ca -0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.69 2kau s ALA 14 Cb -0.17 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 2kau s ALA 14 CO 0.08 -0.33 0.08 -0.51 0.00 0.00 0.00 175.76 175.08 2kau s LEU 15 N 1.37 3.95 -1.38 0.00 1.43 -1.26 -4.63 118.68 118.17 2kau s LEU 15 Ca 0.32 0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 53.61 2kau s LEU 15 Cb -0.16 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.87 2kau s LEU 15 CO 0.13 0.31 0.62 0.59 0.23 0.00 0.00 176.35 178.23 2kau n ASN 16 N 1.43 -1.22 -4.78 2.29 5.03 -1.26 -4.95 115.26 111.80 2kau n ASN 16 Ca -0.15 -0.90 -0.36 0.00 0.87 0.00 0.00 54.58 54.05 2kau n ASN 16 Cb 0.53 -3.61 -0.03 0.00 -1.02 0.00 0.00 39.78 35.65 2kau n ASN 16 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2kau s THR 17 N -3.74 3.54 -0.18 3.41 -4.23 -1.26 -3.74 115.64 109.44 2kau s THR 17 Ca 0.09 1.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.73 2kau s THR 17 Cb -0.04 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.24 2kau s THR 17 CO 0.85 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 175.50 2kau n GLY 18 N 0.28 0.50 3.27 3.99 0.00 -1.26 -5.04 105.19 106.93 2kau n GLY 18 Ca 0.06 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 2kau n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kau s ARG 19 N -2.23 1.08 0.31 1.61 0.52 -1.25 -5.12 118.95 113.88 2kau s ARG 19 Ca 0.00 -1.16 -0.29 0.00 -0.52 0.00 0.00 55.73 53.76 2kau s ARG 19 Cb 0.00 -1.26 -0.11 0.00 0.52 0.00 0.00 34.95 34.10 2kau s ARG 19 CO 0.00 0.28 1.43 0.00 0.02 0.00 0.00 175.30 177.04 2kau s ALA 20 N -1.34 3.59 0.16 2.13 0.00 -1.26 -4.89 121.76 120.15 2kau s ALA 20 Ca 0.06 1.41 0.02 0.00 0.00 0.00 0.00 51.96 53.45 2kau s ALA 20 Cb -0.09 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 2kau s ALA 20 CO 0.04 -0.83 -0.00 0.95 0.00 0.00 0.00 175.76 175.92 2kau s THR 21 N -0.63 0.65 0.07 0.00 -4.23 -1.26 -1.28 115.64 108.95 2kau s THR 21 Ca 0.55 -1.97 -0.23 0.00 -1.18 0.00 0.00 61.69 58.86 2kau s THR 21 Cb -0.43 -2.07 0.06 0.00 1.34 0.00 0.00 72.50 71.39 2kau s THR 21 CO 0.52 -0.52 0.55 0.00 -0.54 0.00 0.00 174.62 174.64 2kau s ARG 23 N -2.69 2.82 -0.01 0.00 0.52 -1.26 -0.06 118.95 118.27 2kau s ARG 23 Ca -0.04 -0.56 0.02 0.00 -0.52 0.00 0.00 55.73 54.63 2kau s ARG 23 Cb -0.00 -2.60 -0.00 0.00 0.52 0.00 0.00 34.95 32.86 2kau s ARG 23 CO -0.04 0.62 -0.07 0.08 0.02 0.00 0.00 175.30 175.91 2kau s VAL 24 N -0.68 0.56 -0.13 3.52 1.01 -0.25 -4.97 120.40 119.47 2kau s VAL 24 Ca 0.10 -0.29 -0.20 0.00 0.00 0.00 0.00 61.98 61.59 2kau s VAL 24 Cb -0.11 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 2kau s VAL 24 CO 0.02 0.17 0.57 -0.69 0.00 0.00 0.00 175.10 175.16 2kau s VAL 25 N -0.08 5.11 0.00 2.92 1.01 -1.26 -0.50 120.40 127.60 2kau s VAL 25 Ca 0.02 1.12 0.07 0.00 0.00 0.00 0.00 61.98 63.19 2kau s VAL 25 Cb -0.04 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2kau s VAL 25 CO -0.00 0.25 -0.23 -0.69 0.00 0.00 0.00 175.10 174.43 2kau s VAL 26 N 1.02 1.80 -0.05 2.92 1.01 0.99 -4.56 120.40 123.53 2kau s VAL 26 Ca 0.29 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2kau s VAL 26 Cb -0.16 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.73 2kau s VAL 26 CO 0.12 0.42 -0.03 -0.70 0.00 0.00 0.00 175.10 174.91 2kau s GLU 27 N -0.75 0.78 -0.52 2.72 2.12 -0.69 -0.68 118.70 121.67 2kau s GLU 27 Ca 0.09 -0.05 -0.27 0.00 0.36 0.00 0.00 54.97 55.10 2kau s GLU 27 Cb -0.09 -0.88 0.03 0.00 0.26 0.00 0.00 34.13 33.46 2kau s GLU 27 CO 0.00 -0.14 1.07 1.21 -0.54 0.00 0.00 175.26 176.86 2kau s ASN 28 N 1.19 6.48 0.00 -1.70 2.47 0.04 -0.56 114.94 122.86 2kau s ASN 28 Ca -0.07 0.09 0.25 0.00 0.42 0.00 0.00 52.86 53.56 2kau s ASN 28 Cb -0.14 -2.50 0.50 0.00 -1.45 0.00 0.00 41.25 37.66 2kau s ASN 28 CO -0.01 -1.28 1.41 1.41 -3.72 0.00 0.00 177.10 174.90 2kau n HIS 29 N 7.81 0.00 -1.50 0.43 8.25 -0.09 -0.66 115.22 129.47 2kau n HIS 29 Ca 0.07 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.24 2kau n HIS 29 Cb 0.49 -0.17 0.18 0.00 1.12 0.00 0.00 29.99 31.61 2kau n HIS 29 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2kau s GLY 30 N -2.81 1.64 0.00 -1.41 0.00 -1.24 -4.88 107.32 98.62 2kau s GLY 30 Ca 0.16 -0.85 0.18 0.00 0.00 0.00 0.00 44.72 44.20 2kau s GLY 30 CO 0.65 -0.13 1.31 2.09 0.00 0.00 0.00 173.10 177.02 2kau n ASP 31 N -4.10 3.20 -4.16 1.64 5.75 -1.26 -4.11 116.55 113.51 2kau n ASP 31 Ca 0.11 -1.92 -0.17 0.00 -0.01 0.00 0.00 54.79 52.80 2kau n ASP 31 Cb 0.59 -0.26 -0.12 0.00 -1.03 0.00 0.00 41.12 40.31 2kau n ASP 31 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2kau s ARG 32 N -1.17 0.79 0.69 0.11 0.52 -1.26 -4.86 118.95 113.77 2kau s ARG 32 Ca 0.33 -0.95 -0.16 0.00 -0.52 0.00 0.00 55.73 54.42 2kau s ARG 32 Cb 0.18 -0.74 0.02 0.00 0.52 0.00 0.00 34.95 34.93 2kau s ARG 32 CO 0.25 0.16 1.22 -1.25 0.02 0.00 0.00 175.30 175.70 2kau s PRO 33 N -1.83 2.36 -0.02 3.54 0.04 -1.26 -4.46 135.00 133.37 2kau s PRO 33 Ca -0.02 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.84 2kau s PRO 33 Cb -0.09 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.62 2kau s PRO 33 CO 0.02 -1.68 0.02 0.42 0.04 0.00 0.00 177.00 175.82 2kau s ILE 34 N -1.82 0.05 -0.07 0.56 1.01 -0.63 -5.01 121.20 115.29 2kau s ILE 34 Ca 0.76 0.15 0.04 0.00 0.00 0.00 0.00 60.65 61.60 2kau s ILE 34 Cb -0.31 -0.16 0.00 0.00 0.01 0.00 0.00 42.46 42.00 2kau s ILE 34 CO 0.42 0.11 -0.19 -1.58 0.00 0.00 0.00 174.94 173.70 2kau s GLN 35 N 1.00 2.27 -0.14 2.79 0.74 -1.26 0.19 119.66 125.25 2kau s GLN 35 Ca -0.09 -0.67 -0.00 0.00 0.05 0.00 0.00 55.36 54.65 2kau s GLN 35 Cb -0.13 -1.82 -0.01 0.00 1.10 0.00 0.00 33.01 32.15 2kau s GLN 35 CO -0.02 0.16 -0.14 0.08 -0.55 0.00 0.00 175.29 174.83 2kau s VAL 36 N 0.33 2.90 0.68 1.34 1.01 -0.23 -4.94 120.40 121.48 2kau s VAL 36 Ca -0.13 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 2kau s VAL 36 Cb -0.15 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.00 2kau s VAL 36 CO 0.05 0.51 1.06 -0.83 0.00 0.00 0.00 175.10 175.89 2kau s GLY 37 N 0.60 1.71 0.40 4.51 0.00 -1.26 -1.63 107.32 111.65 2kau s GLY 37 Ca -0.08 0.10 0.12 0.00 0.00 0.00 0.00 44.72 44.87 2kau s GLY 37 CO 0.03 0.41 1.92 1.48 0.00 0.00 0.00 173.10 176.95 2kau h SER 38 N -0.59 0.49 -0.47 1.64 4.64 -1.61 -2.98 113.55 114.66 2kau h SER 38 Ca -0.44 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2kau h SER 38 Cb 1.21 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2kau h SER 38 CO 0.57 0.27 0.00 1.41 -0.87 0.00 0.00 176.83 178.21 2kau n HIS 39 N -4.50 0.63 -2.37 4.77 8.25 -1.26 -3.24 115.22 117.50 2kau n HIS 39 Ca 0.14 -0.44 -0.39 0.00 -0.26 0.00 0.00 57.72 56.77 2kau n HIS 39 Cb 0.44 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 2kau n HIS 39 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2kau s TYR 40 N -1.05 3.28 -0.63 4.41 5.04 -1.13 -4.91 117.35 122.36 2kau s TYR 40 Ca 0.34 1.60 -0.26 0.00 -2.44 0.00 0.00 57.07 56.30 2kau s TYR 40 Cb 0.18 -3.36 -0.02 0.00 0.35 0.00 0.00 41.96 39.11 2kau s TYR 40 CO 0.24 -1.02 1.82 -1.58 -1.34 0.00 0.00 175.55 173.67 2kau s HIS 41 N -1.31 1.71 0.37 4.97 5.65 -1.26 -4.44 115.29 120.98 2kau s HIS 41 Ca 0.51 0.72 0.15 0.00 0.25 0.00 0.00 55.06 56.69 2kau s HIS 41 Cb -0.31 -4.13 1.02 0.00 -1.18 0.00 0.00 32.58 27.98 2kau s HIS 41 CO 0.40 -2.28 1.77 0.35 -0.65 0.00 0.00 174.74 174.33 2kau h PHE 42 N 14.51 0.77 0.00 3.88 3.57 -1.65 0.37 116.94 138.40 2kau h PHE 42 Ca -0.25 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.28 2kau h PHE 42 Cb 1.15 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.67 2kau h PHE 42 CO 1.05 0.08 0.00 0.00 -2.23 0.00 0.00 178.31 177.22 2kau n ALA 43 N -2.42 1.18 -1.17 2.41 0.00 -1.25 -2.29 120.51 116.96 2kau n ALA 43 Ca 0.25 0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.88 2kau n ALA 43 Cb 0.81 -1.23 0.18 0.00 0.00 0.00 0.00 19.45 19.21 2kau n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kau n GLU 44 N -1.96 1.67 -1.19 0.00 1.02 0.12 -4.98 120.64 115.32 2kau n GLU 44 Ca -0.00 -2.79 -0.29 0.00 -0.02 0.00 0.00 57.16 54.06 2kau n GLU 44 Cb 0.07 -1.61 0.20 0.00 -0.02 0.00 0.00 31.44 30.08 2kau n GLU 44 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2kau s VAL 45 N -2.96 1.83 -0.09 2.62 -7.23 -0.97 -4.46 120.40 109.14 2kau s VAL 45 Ca 0.36 0.00 -0.40 0.00 -1.81 0.00 0.00 61.98 60.12 2kau s VAL 45 Cb 0.32 -2.53 -0.19 0.00 0.56 0.00 0.00 36.38 34.54 2kau s VAL 45 CO 0.02 0.00 1.28 -3.20 -0.31 0.00 0.00 175.10 172.89 2kau n ASN 46 N -4.40 0.79 0.31 4.85 2.85 -1.26 -4.81 115.26 113.59 2kau n ASN 46 Ca 0.09 1.15 0.17 0.00 -0.11 0.00 0.00 54.58 55.88 2kau n ASN 46 Cb 0.59 -1.00 0.94 0.00 1.24 0.00 0.00 39.78 41.54 2kau n ASN 46 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2kau h PRO 47 N 4.06 0.00 0.00 1.20 0.11 -1.99 -2.03 132.00 133.35 2kau h PRO 47 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kau h PRO 47 Cb 1.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.50 2kau h PRO 47 CO 0.76 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.55 2kau h ALA 48 N 1.67 1.00 -2.21 -0.75 0.00 -1.96 -3.41 119.26 113.60 2kau h ALA 48 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 2kau h ALA 48 Cb 0.32 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.01 2kau h ALA 48 CO 0.00 0.00 0.45 -0.51 0.00 0.00 0.00 179.25 179.19 2kau s LEU 49 N -5.63 4.07 -0.17 0.00 1.43 -0.77 -0.91 118.68 116.71 2kau s LEU 49 Ca 0.02 0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 53.67 2kau s LEU 49 Cb 0.09 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 2kau s LEU 49 CO 0.48 -0.65 0.36 -0.75 0.23 0.00 0.00 176.35 176.02 2kau s LYS 50 N 3.04 4.25 0.06 1.70 2.20 0.28 -4.90 119.74 126.37 2kau s LYS 50 Ca 0.34 0.18 -0.27 0.00 -0.36 0.00 0.00 55.97 55.86 2kau s LYS 50 Cb -0.14 -3.46 0.10 0.00 -1.51 0.00 0.00 37.83 32.81 2kau s LYS 50 CO 0.13 0.14 1.16 -0.59 -0.36 0.00 0.00 175.35 175.83 2kau s PHE 51 N 0.76 -0.04 -0.96 4.03 -0.12 -1.26 -1.70 117.98 118.68 2kau s PHE 51 Ca 0.19 -0.16 -0.24 0.00 -0.05 0.00 0.00 56.93 56.67 2kau s PHE 51 Cb -0.14 0.60 0.01 0.00 -0.63 0.00 0.00 43.02 42.86 2kau s PHE 51 CO 0.06 -0.52 1.66 0.34 -0.05 0.00 0.00 175.22 176.71 2kau s ASP 52 N -3.12 5.91 0.51 1.98 -1.08 -1.26 -4.81 116.67 114.80 2kau s ASP 52 Ca 0.16 -1.07 0.19 0.00 -0.52 0.00 0.00 52.55 51.31 2kau s ASP 52 Cb 0.01 -2.56 1.30 0.00 -1.46 0.00 0.00 42.92 40.21 2kau s ASP 52 CO -0.00 -2.04 2.12 0.03 0.52 0.00 0.00 175.17 175.79 2kau h ARG 53 N 10.51 0.00 -0.49 4.34 2.47 -1.97 -2.65 114.38 126.59 2kau h ARG 53 Ca 0.14 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.82 2kau h ARG 53 Cb 1.01 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.31 2kau h ARG 53 CO 1.33 0.06 0.17 0.37 0.56 0.00 0.00 179.97 182.46 2kau h GLN 54 N 0.00 0.75 -0.11 0.04 4.15 -1.96 -2.86 115.11 115.12 2kau h GLN 54 Ca -0.00 -0.15 -0.11 0.00 0.77 0.00 0.00 58.65 59.15 2kau h GLN 54 Cb 0.12 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 2kau h GLN 54 CO 0.01 0.70 -0.42 0.37 -1.93 0.00 0.00 178.83 177.55 2kau h GLN 55 N 0.66 0.26 -0.01 1.69 5.75 -1.89 -3.08 115.11 118.49 2kau h GLN 55 Ca 0.16 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2kau h GLN 55 Cb 0.25 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.80 2kau h GLN 55 CO -0.01 0.64 0.00 0.00 -2.65 0.00 0.00 178.83 176.82 2kau n ALA 56 N -2.48 2.64 -1.87 3.38 0.00 -1.09 -4.89 120.51 116.20 2kau n ALA 56 Ca -0.02 -0.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 2kau n ALA 56 Cb 0.49 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 2kau n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kau s ALA 57 N -1.99 3.82 -0.21 0.00 0.00 -1.13 -2.05 121.76 120.21 2kau s ALA 57 Ca 0.37 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.77 2kau s ALA 57 Cb 0.18 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2kau s ALA 57 CO 0.29 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.64 2kau n GLY 58 N 3.77 0.52 3.63 0.00 0.00 -1.26 -5.02 105.19 106.83 2kau n GLY 58 Ca 0.14 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 2kau n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kau s TYR 59 N -1.89 2.57 0.17 1.61 2.02 -0.87 -1.01 117.35 119.94 2kau s TYR 59 Ca 0.00 -0.38 -0.05 0.00 -0.37 0.00 0.00 57.07 56.27 2kau s TYR 59 Cb 0.00 -1.40 -0.03 0.00 -0.40 0.00 0.00 41.96 40.13 2kau s TYR 59 CO 0.00 0.51 0.19 -0.98 -1.57 0.00 0.00 175.55 173.70 2kau s ARG 60 N -3.70 1.13 0.26 -0.62 1.70 -0.31 -1.97 118.95 115.44 2kau s ARG 60 Ca 0.34 -1.38 -0.30 0.00 -0.47 0.00 0.00 55.73 53.92 2kau s ARG 60 Cb -0.02 0.32 -0.10 0.00 -0.57 0.00 0.00 34.95 34.57 2kau s ARG 60 CO 0.19 -0.38 1.44 -0.51 -1.08 0.00 0.00 175.30 174.96 2kau s LEU 61 N -3.05 4.38 -1.43 -1.89 1.43 -1.20 -0.06 118.68 116.87 2kau s LEU 61 Ca 0.25 2.70 -0.08 0.00 -1.03 0.00 0.00 54.13 55.98 2kau s LEU 61 Cb 0.05 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.69 2kau s LEU 61 CO 0.04 -0.71 2.55 -3.20 0.23 0.00 0.00 176.35 175.26 2kau n ASN 62 N 2.13 7.95 -4.35 2.29 2.85 -0.21 -4.65 115.26 121.27 2kau n ASN 62 Ca 0.06 -2.93 -0.20 0.00 -0.11 0.00 0.00 54.58 51.40 2kau n ASN 62 Cb 0.40 -1.45 -0.10 0.00 1.24 0.00 0.00 39.78 39.87 2kau n ASN 62 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2kau s ILE 63 N 0.25 1.82 0.32 -1.44 -4.36 -1.26 -4.97 121.20 111.56 2kau s ILE 63 Ca 0.58 -2.17 -0.28 0.00 -0.26 0.00 0.00 60.65 58.52 2kau s ILE 63 Cb 0.18 -2.02 -0.13 0.00 1.25 0.00 0.00 42.46 41.74 2kau s ILE 63 CO -0.08 -0.52 1.22 -0.81 0.24 0.00 0.00 174.94 175.00 2kau n PRO 64 N -0.26 1.90 -1.60 0.37 -0.04 -1.26 -4.84 135.00 129.28 2kau n PRO 64 Ca -0.09 0.67 -0.50 0.00 -0.04 0.00 0.00 63.50 63.54 2kau n PRO 64 Cb 0.60 -2.20 -0.05 0.00 -0.04 0.00 0.00 33.50 31.81 2kau n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kau n ALA 65 N 0.44 -0.52 0.00 0.55 0.00 -1.26 -2.13 120.51 117.59 2kau n ALA 65 Ca 0.07 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2kau n ALA 65 Cb 0.34 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.69 2kau n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kau n GLY 66 N 2.48 1.68 3.04 0.00 0.00 -1.26 -5.05 105.19 106.08 2kau n GLY 66 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 2kau n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kau n THR 67 N -2.00 0.00 -3.90 2.61 -2.24 -0.90 -4.85 114.28 103.00 2kau n THR 67 Ca 0.00 -1.17 -0.09 0.00 -2.27 0.00 0.00 64.05 60.52 2kau n THR 67 Cb 0.00 -1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 67.10 2kau n THR 67 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kau s ALA 68 N -3.20 -0.51 -0.12 6.98 0.00 -1.26 -1.59 121.76 122.06 2kau s ALA 68 Ca 0.53 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.90 2kau s ALA 68 Cb -0.03 0.95 0.00 0.00 0.00 0.00 0.00 23.12 24.05 2kau s ALA 68 CO 0.35 -0.82 -0.23 0.08 0.00 0.00 0.00 175.76 175.14 2kau s VAL 69 N -3.96 2.05 -0.10 0.00 1.01 -0.65 -4.95 120.40 113.81 2kau s VAL 69 Ca 0.16 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 2kau s VAL 69 Cb -0.01 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2kau s VAL 69 CO 0.04 0.55 0.14 -0.60 0.00 0.00 0.00 175.10 175.23 2kau s ARG 70 N 0.55 3.43 -0.30 2.72 3.52 -1.26 -1.07 118.95 126.53 2kau s ARG 70 Ca -0.14 -0.17 0.01 0.00 -0.13 0.00 0.00 55.73 55.31 2kau s ARG 70 Cb -0.17 -3.16 0.09 0.00 -1.56 0.00 0.00 34.95 30.14 2kau s ARG 70 CO 0.04 0.76 0.04 -0.06 -0.81 0.00 0.00 175.30 175.27 2kau s PHE 71 N -1.07 2.67 0.71 5.12 0.08 0.13 -4.99 117.98 120.62 2kau s PHE 71 Ca 0.17 -2.21 -0.12 0.00 0.12 0.00 0.00 56.93 54.89 2kau s PHE 71 Cb -0.12 -2.12 0.02 0.00 -0.57 0.00 0.00 43.02 40.23 2kau s PHE 71 CO 0.06 -0.87 1.09 -1.21 -0.10 0.00 0.00 175.22 174.19 2kau s GLU 72 N 1.29 2.61 0.13 0.44 0.41 -1.26 -1.61 118.70 120.71 2kau s GLU 72 Ca 0.06 1.20 -0.35 0.00 -0.41 0.00 0.00 54.97 55.47 2kau s GLU 72 Cb -0.18 -1.94 -0.14 0.00 -1.78 0.00 0.00 34.13 30.08 2kau s GLU 72 CO -0.13 -1.37 1.53 -2.30 -0.49 0.00 0.00 175.26 172.50 2kau n PRO 73 N -3.02 1.91 -0.25 0.39 -0.02 -1.26 -0.82 135.00 131.93 2kau n PRO 73 Ca 0.09 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2kau n PRO 73 Cb 0.53 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2kau n PRO 73 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kau n GLY 74 N 3.25 2.19 3.76 -1.23 0.00 0.17 -5.00 105.19 108.32 2kau n GLY 74 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2kau n GLY 74 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kau s GLN 75 N -0.11 4.44 -0.04 1.61 0.74 -0.00 -4.70 119.66 121.60 2kau s GLN 75 Ca 0.00 2.05 0.04 0.00 0.05 0.00 0.00 55.36 57.51 2kau s GLN 75 Cb 0.00 -3.14 -0.00 0.00 1.10 0.00 0.00 33.01 30.96 2kau s GLN 75 CO 0.00 -0.10 -0.17 0.21 -0.55 0.00 0.00 175.29 174.68 2kau s LYS 76 N -1.16 1.78 -0.07 1.67 2.20 -1.26 -0.78 119.74 122.12 2kau s LYS 76 Ca 0.50 -0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 55.21 2kau s LYS 76 Cb -0.37 -1.55 0.10 0.00 -1.51 0.00 0.00 37.83 34.50 2kau s LYS 76 CO 0.45 0.24 0.82 -0.98 -0.36 0.00 0.00 175.35 175.52 2kau s ARG 77 N 0.04 0.87 -0.07 4.03 1.70 0.14 -4.99 118.95 120.68 2kau s ARG 77 Ca -0.04 0.10 -0.16 0.00 -0.47 0.00 0.00 55.73 55.16 2kau s ARG 77 Cb -0.11 0.41 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 2kau s ARG 77 CO 0.02 -0.30 0.43 -2.00 -1.08 0.00 0.00 175.30 172.37 2kau s GLU 78 N -1.56 4.14 0.19 3.89 2.12 -1.26 -0.01 118.70 126.22 2kau s GLU 78 Ca -0.05 0.40 0.09 0.00 0.36 0.00 0.00 54.97 55.77 2kau s GLU 78 Cb -0.00 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 31.01 2kau s GLU 78 CO 0.03 0.42 -0.19 0.14 -0.54 0.00 0.00 175.26 175.12 2kau s VAL 79 N -0.20 1.98 -0.14 3.70 -7.23 0.35 -4.95 120.40 113.92 2kau s VAL 79 Ca 0.24 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 58.31 2kau s VAL 79 Cb -0.16 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 2kau s VAL 79 CO 0.11 -0.35 -0.01 -0.70 -0.31 0.00 0.00 175.10 173.84 2kau s GLU 80 N -3.04 3.52 0.17 4.82 2.12 -1.26 -1.09 118.70 123.94 2kau s GLU 80 Ca 0.20 -0.46 0.07 0.00 0.36 0.00 0.00 54.97 55.15 2kau s GLU 80 Cb -0.05 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.37 2kau s GLU 80 CO 0.08 0.39 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.65 2kau s LEU 81 N -0.01 3.23 -0.02 2.70 1.02 0.92 -1.04 118.68 125.48 2kau s LEU 81 Ca 0.02 -0.42 0.03 0.00 0.02 0.00 0.00 54.13 53.77 2kau s LEU 81 Cb -0.13 -1.90 -0.00 0.00 0.02 0.00 0.00 46.19 44.18 2kau s LEU 81 CO 0.02 0.10 -0.09 0.54 0.02 0.00 0.00 176.35 176.94 2kau s VAL 82 N -1.68 0.73 0.39 -1.59 0.11 0.92 -1.78 120.40 117.50 2kau s VAL 82 Ca 0.26 -0.36 -0.26 0.00 -2.93 0.00 0.00 61.98 58.70 2kau s VAL 82 Cb -0.09 -0.64 -0.09 0.00 -1.53 0.00 0.00 36.38 34.03 2kau s VAL 82 CO 0.18 0.22 1.23 0.00 -3.33 0.00 0.00 175.10 173.40 2kau s ALA 83 N 0.05 3.25 0.65 1.54 0.00 -0.41 -1.16 121.76 125.68 2kau s ALA 83 Ca -0.01 1.10 -0.17 0.00 0.00 0.00 0.00 51.96 52.89 2kau s ALA 83 Cb -0.07 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 2kau s ALA 83 CO 0.00 -0.64 1.20 -0.06 0.00 0.00 0.00 175.76 176.26 2kau s PHE 84 N -1.30 2.29 0.00 0.00 0.08 -0.18 -4.89 117.98 113.97 2kau s PHE 84 Ca 0.55 1.54 0.00 0.00 0.12 0.00 0.00 56.93 59.15 2kau s PHE 84 Cb -0.35 -3.45 0.00 0.00 -0.57 0.00 0.00 43.02 38.65 2kau s PHE 84 CO 0.44 -2.32 0.00 0.00 -0.10 0.00 0.00 175.22 173.24 2kau n ALA 85 N -2.07 0.00 -0.71 5.36 0.00 -1.26 -4.81 120.51 117.02 2kau n ALA 85 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2kau n ALA 85 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2kau n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kau n GLY 86 N 5.00 2.55 0.00 0.00 0.00 -1.26 -1.55 105.19 109.93 2kau n GLY 86 Ca 0.00 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.81 2kau n GLY 86 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kau n HIS 87 N 13.43 0.00 -3.60 1.61 8.25 -1.26 -4.93 115.22 128.73 2kau n HIS 87 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 2kau n HIS 87 Cb 0.00 -0.41 0.05 0.00 1.12 0.00 0.00 29.99 30.75 2kau n HIS 87 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2kau n ARG 88 N -1.50 -5.27 -4.74 -0.41 1.74 -0.59 -4.76 116.66 101.14 2kau n ARG 88 Ca 0.07 0.70 -0.32 0.00 -0.77 0.00 0.00 57.85 57.53 2kau n ARG 88 Cb 0.34 -5.40 -0.17 0.00 -1.02 0.00 0.00 32.46 26.22 2kau n ARG 88 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kau s ALA 89 N -3.56 2.13 -0.20 7.54 0.00 -1.26 -0.34 121.76 126.08 2kau s ALA 89 Ca 0.03 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 2kau s ALA 89 Cb -0.01 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 2kau s ALA 89 CO 0.78 0.02 0.00 0.08 0.00 0.00 0.00 175.76 176.65 2kau s VAL 90 N 0.75 3.99 -0.02 0.00 1.01 0.29 -4.92 120.40 121.51 2kau s VAL 90 Ca -0.09 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.61 2kau s VAL 90 Cb -0.16 -2.80 -0.00 0.00 0.00 0.00 0.00 36.38 33.42 2kau s VAL 90 CO 0.00 0.43 -0.09 -0.36 0.00 0.00 0.00 175.10 175.08 2kau s PHE 91 N 0.97 0.87 0.00 5.22 0.40 -1.26 -0.65 117.98 123.53 2kau s PHE 91 Ca 0.02 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 2kau s PHE 91 Cb -0.14 -0.59 0.00 0.00 0.51 0.00 0.00 43.02 42.80 2kau s PHE 91 CO 0.02 -0.05 0.00 0.41 0.70 0.00 0.00 175.22 176.30 2kau n GLY 92 N 3.06 0.08 7.00 4.36 0.00 -1.26 -4.99 105.19 113.43 2kau n GLY 92 Ca -0.16 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.04 2kau n GLY 92 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kau n PHE 93 N 0.00 0.00 0.73 1.61 3.01 -1.26 -0.55 117.46 121.00 2kau n PHE 93 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.57 2kau n PHE 93 Cb 0.00 0.00 0.28 0.00 -0.01 0.00 0.00 39.48 39.75 2kau n PHE 93 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2kau n ARG 94 N 13.91 2.11 -2.59 -1.08 1.74 -1.26 -4.94 116.66 124.55 2kau n ARG 94 Ca 0.00 -1.69 -0.11 0.00 -0.77 0.00 0.00 57.85 55.28 2kau n ARG 94 Cb 0.00 -1.44 0.02 0.00 -1.02 0.00 0.00 32.46 30.02 2kau n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kau n GLY 95 N 1.31 0.07 0.12 -0.13 0.00 0.29 -4.96 105.19 101.90 2kau n GLY 95 Ca 0.17 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.90 2kau n GLY 95 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kau h GLU 96 N -0.63 0.00 0.00 1.61 5.08 -1.93 -3.42 114.58 115.30 2kau h GLU 96 Ca -0.26 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 2kau h GLU 96 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2kau h GLU 96 CO 0.28 0.21 -0.64 1.55 -1.00 0.00 0.00 179.01 179.41 2kau n VAL 97 N -2.91 1.02 -3.91 3.13 3.14 -1.26 -5.04 118.33 112.50 2kau n VAL 97 Ca -0.03 0.19 -0.27 0.00 -2.96 0.00 0.00 64.34 61.28 2kau n VAL 97 Cb 0.70 -1.73 0.00 0.00 -1.06 0.00 0.00 33.84 31.75 2kau n VAL 97 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 2kau n MET 98 N -3.62 -4.16 -3.38 1.45 2.81 -0.66 -4.87 117.12 104.69 2kau n MET 98 Ca -0.07 0.50 0.00 0.00 -1.81 0.00 0.00 57.70 56.31 2kau n MET 98 Cb 0.29 -4.97 0.00 0.00 -0.71 0.00 0.00 33.22 27.83 2kau n MET 98 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kau n GLY 99 N -1.74 -1.37 3.75 3.03 0.00 0.18 -4.94 105.19 104.10 2kau n GLY 99 Ca -0.19 -0.99 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 2kau n GLY 99 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kau s PRO 100 N -0.93 2.78 0.00 1.61 0.04 -1.26 -0.55 135.00 136.69 2kau s PRO 100 Ca 0.00 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.88 2kau s PRO 100 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2kau s PRO 100 CO 0.00 -1.36 0.00 -0.11 0.04 0.00 0.00 177.00 175.57