#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kt8 s GLU 2 N 0.00 2.99 0.06 0.00 2.02 -1.26 -4.95 118.70 117.57 2kt8 s GLU 2 Ca 0.00 1.29 0.02 0.00 0.02 0.00 0.00 54.97 56.30 2kt8 s GLU 2 Cb 0.00 -1.98 -0.03 0.00 0.10 0.00 0.00 34.13 32.22 2kt8 s GLU 2 CO 0.00 -1.09 -0.07 0.15 0.02 0.00 0.00 175.26 174.28 2kt8 s LYS 3 N -4.16 0.64 -0.30 1.61 1.02 -1.10 -4.72 119.74 112.73 2kt8 s LYS 3 Ca 0.65 -1.02 -0.08 0.00 0.02 0.00 0.00 55.97 55.54 2kt8 s LYS 3 Cb -0.18 -0.19 0.01 0.00 -0.52 0.00 0.00 37.83 36.95 2kt8 s LYS 3 CO 0.41 0.00 0.10 0.95 -0.92 0.00 0.00 175.35 175.89 2kt8 s THR 4 N -2.51 4.14 -0.13 2.17 -4.23 0.30 -0.25 115.64 115.13 2kt8 s THR 4 Ca -0.00 -0.63 -0.10 0.00 -1.18 0.00 0.00 61.69 59.78 2kt8 s THR 4 Cb -0.02 -3.13 -0.05 0.00 1.34 0.00 0.00 72.50 70.64 2kt8 s THR 4 CO -0.03 0.07 0.20 -0.83 -0.54 0.00 0.00 174.62 173.49 2kt8 s GLY 5 N 1.53 2.19 -0.23 3.99 0.00 -1.09 -2.46 107.32 111.25 2kt8 s GLY 5 Ca 0.03 -0.56 -0.23 0.00 0.00 0.00 0.00 44.72 43.96 2kt8 s GLY 5 CO 0.03 -0.06 0.76 -0.42 0.00 0.00 0.00 173.10 173.42 2kt8 s ILE 6 N -0.49 4.89 -0.61 0.90 1.09 -1.02 -2.03 121.20 123.94 2kt8 s ILE 6 Ca 0.15 1.44 -0.26 0.00 -1.10 0.00 0.00 60.65 60.88 2kt8 s ILE 6 Cb -0.13 -4.06 0.04 0.00 -1.06 0.00 0.00 42.46 37.25 2kt8 s ILE 6 CO 0.04 -0.02 1.11 -0.69 -0.10 0.00 0.00 174.94 175.29 2kt8 s VAL 7 N 2.58 4.10 -0.47 2.92 1.01 -1.06 -2.46 120.40 127.02 2kt8 s VAL 7 Ca 0.33 0.52 -0.13 0.00 0.00 0.00 0.00 61.98 62.69 2kt8 s VAL 7 Cb -0.16 -4.70 0.09 0.00 0.00 0.00 0.00 36.38 31.61 2kt8 s VAL 7 CO 0.08 -1.38 0.38 0.21 0.00 0.00 0.00 175.10 174.39 2kt8 s ASN 8 N 3.13 5.99 0.14 3.32 3.84 -0.99 0.20 114.94 130.56 2kt8 s ASN 8 Ca 0.36 -1.50 0.00 0.00 0.21 0.00 0.00 52.86 51.93 2kt8 s ASN 8 Cb -0.10 -2.12 -0.04 0.00 -0.55 0.00 0.00 41.25 38.43 2kt8 s ASN 8 CO 0.20 -0.66 0.02 0.68 -2.79 0.00 0.00 177.10 174.55 2kt8 s VAL 9 N 1.56 0.40 0.22 -5.21 -7.23 -1.26 -4.77 120.40 104.11 2kt8 s VAL 9 Ca 0.04 -1.93 -0.07 0.00 -1.81 0.00 0.00 61.98 58.20 2kt8 s VAL 9 Cb -0.25 -2.00 0.16 0.00 0.56 0.00 0.00 36.38 34.85 2kt8 s VAL 9 CO 0.04 -0.55 1.78 0.77 -0.31 0.00 0.00 175.10 176.83 2kt8 h SER 10 N 2.83 1.10 -0.81 4.85 4.64 -2.02 -3.43 113.55 120.71 2kt8 h SER 10 Ca -0.36 -0.17 0.13 0.00 -0.47 0.00 0.00 61.79 60.92 2kt8 h SER 10 Cb 1.19 -0.28 -0.21 0.00 -0.31 0.00 0.00 62.40 62.79 2kt8 h SER 10 CO 0.62 0.97 -0.16 -0.94 -0.87 0.00 0.00 176.83 176.45 2kt8 s SER 11 N -6.37 -1.14 0.34 4.97 1.04 -1.26 -5.07 113.70 106.22 2kt8 s SER 11 Ca -0.12 0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.97 2kt8 s SER 11 Cb 0.16 1.93 0.00 0.00 0.10 0.00 0.00 66.02 68.21 2kt8 s SER 11 CO 0.84 -0.21 0.00 -1.20 0.98 0.00 0.00 173.24 173.65 2kt8 n SER 12 N 5.43 -5.39 -3.80 7.02 7.64 -1.26 -4.94 113.62 118.33 2kt8 n SER 12 Ca -0.02 0.75 -0.15 0.00 1.01 0.00 0.00 58.87 60.46 2kt8 n SER 12 Cb 0.52 -3.62 -0.16 0.00 -1.01 0.00 0.00 64.21 59.94 2kt8 n SER 12 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kt8 s LEU 13 N -5.94 1.24 0.28 -3.43 2.96 0.10 -4.81 118.68 109.08 2kt8 s LEU 13 Ca 0.00 0.02 -0.28 0.00 -0.22 0.00 0.00 54.13 53.65 2kt8 s LEU 13 Cb 0.00 -0.10 -0.09 0.00 0.50 0.00 0.00 46.19 46.50 2kt8 s LEU 13 CO 0.00 -0.10 0.95 0.20 -1.32 0.00 0.00 176.35 176.08 2kt8 s ASN 14 N 0.90 7.48 -0.18 3.68 0.01 -1.26 -0.60 114.94 124.97 2kt8 s ASN 14 Ca -0.08 1.93 -0.11 0.00 -0.71 0.00 0.00 52.86 53.89 2kt8 s ASN 14 Cb -0.11 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 38.90 2kt8 s ASN 14 CO -0.02 0.04 0.18 -0.69 -1.51 0.00 0.00 177.10 175.09 2kt8 s VAL 15 N -1.36 5.38 -0.15 1.60 1.01 -0.17 -4.92 120.40 121.78 2kt8 s VAL 15 Ca 0.45 0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.68 2kt8 s VAL 15 Cb -0.23 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2kt8 s VAL 15 CO 0.29 0.43 0.07 -0.13 0.00 0.00 0.00 175.10 175.76 2kt8 s ARG 16 N 0.31 3.67 0.14 2.72 0.52 -1.06 -2.55 118.95 122.69 2kt8 s ARG 16 Ca 0.11 -0.31 -0.09 0.00 -0.52 0.00 0.00 55.73 54.91 2kt8 s ARG 16 Cb -0.12 -3.12 -0.05 0.00 0.52 0.00 0.00 34.95 32.18 2kt8 s ARG 16 CO 0.00 0.47 1.42 1.49 0.02 0.00 0.00 175.30 178.70 2kt8 h GLU 17 N 6.02 0.79 -7.06 3.54 4.22 -1.73 0.13 114.58 120.49 2kt8 h GLU 17 Ca -0.44 -0.52 -0.45 0.00 0.08 0.00 0.00 59.36 58.03 2kt8 h GLU 17 Cb 1.18 0.07 0.07 0.00 0.50 0.00 0.00 28.75 30.57 2kt8 h GLU 17 CO 0.65 1.15 0.08 0.20 -2.18 0.00 0.00 179.01 178.91 2kt8 s GLY 18 N -4.02 1.77 0.00 1.92 0.00 -1.26 -4.64 107.32 101.09 2kt8 s GLY 18 Ca -0.10 -1.44 0.19 0.00 0.00 0.00 0.00 44.72 43.38 2kt8 s GLY 18 CO 0.88 -0.99 1.49 0.00 0.00 0.00 0.00 173.10 174.48 2kt8 n ALA 19 N -2.70 2.50 -1.80 3.20 0.00 -1.26 -4.58 120.51 115.88 2kt8 n ALA 19 Ca 0.11 -0.57 -0.30 0.00 0.00 0.00 0.00 53.44 52.68 2kt8 n ALA 19 Cb 0.60 -1.05 0.07 0.00 0.00 0.00 0.00 19.45 19.07 2kt8 n ALA 19 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2kt8 s SER 20 N -1.46 4.83 0.54 0.00 1.04 -1.26 -4.88 113.70 112.51 2kt8 s SER 20 Ca 0.31 1.04 0.33 0.00 0.48 0.00 0.00 55.95 58.11 2kt8 s SER 20 Cb 0.17 -1.72 1.35 0.00 0.10 0.00 0.00 66.02 65.92 2kt8 s SER 20 CO 0.25 -1.73 1.98 0.00 0.98 0.00 0.00 173.24 174.72 2kt8 h THR 21 N -0.92 0.10 -0.89 2.02 1.03 -2.01 -3.33 112.91 108.90 2kt8 h THR 21 Ca -0.46 -0.58 -0.36 0.00 -0.01 0.00 0.00 66.41 65.01 2kt8 h THR 21 Cb 1.29 1.52 -0.26 0.00 -1.07 0.00 0.00 68.15 69.63 2kt8 h THR 21 CO 0.63 0.03 -0.77 -0.24 -0.01 0.00 0.00 175.52 175.17 2kt8 n SER 22 N -3.15 -1.16 0.00 0.00 2.88 -1.26 -5.03 113.62 105.89 2kt8 n SER 22 Ca 0.00 -3.26 0.00 0.00 -1.33 0.00 0.00 58.87 54.28 2kt8 n SER 22 Cb 0.31 0.78 0.00 0.00 -0.75 0.00 0.00 64.21 64.55 2kt8 n SER 22 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2kt8 n SER 23 N 0.78 0.00 -3.64 -3.46 7.64 -1.25 -4.99 113.62 108.70 2kt8 n SER 23 Ca 0.14 0.15 -0.02 0.00 1.01 0.00 0.00 58.87 60.16 2kt8 n SER 23 Cb 0.65 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.77 2kt8 n SER 23 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2kt8 s LYS 24 N -0.32 0.58 0.04 1.43 2.20 -1.26 -4.95 119.74 117.46 2kt8 s LYS 24 Ca 0.00 1.39 -0.30 0.00 -0.36 0.00 0.00 55.97 56.70 2kt8 s LYS 24 Cb 0.00 0.77 -0.05 0.00 -1.51 0.00 0.00 37.83 37.04 2kt8 s LYS 24 CO 0.00 -0.19 1.18 0.08 -0.36 0.00 0.00 175.35 176.06 2kt8 s VAL 25 N 2.73 4.16 -0.02 4.02 1.01 -1.26 -2.15 120.40 128.89 2kt8 s VAL 25 Ca -0.06 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.46 2kt8 s VAL 25 Cb -0.11 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 2kt8 s VAL 25 CO -0.19 0.10 0.02 2.30 0.00 0.00 0.00 175.10 177.33 2kt8 n ILE 26 N 4.02 0.00 -3.03 2.22 -5.35 -1.06 -4.99 119.36 111.18 2kt8 n ILE 26 Ca 0.09 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 2kt8 n ILE 26 Cb 0.47 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 2kt8 n ILE 26 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kt8 n GLY 27 N 1.04 -1.16 3.35 3.28 0.00 -1.26 -5.03 105.19 105.42 2kt8 n GLY 27 Ca 0.00 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 2kt8 n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kt8 s SER 28 N -4.00 -0.34 0.12 1.61 0.15 -1.26 -1.00 113.70 108.97 2kt8 s SER 28 Ca 0.00 0.08 0.10 0.00 0.70 0.00 0.00 55.95 56.82 2kt8 s SER 28 Cb 0.00 0.45 -0.04 0.00 -1.71 0.00 0.00 66.02 64.72 2kt8 s SER 28 CO 0.00 -0.68 -0.23 -0.76 1.20 0.00 0.00 173.24 172.77 2kt8 s LEU 29 N -1.96 2.32 0.58 3.45 1.43 0.24 -4.92 118.68 119.82 2kt8 s LEU 29 Ca -0.06 -0.73 -0.18 0.00 -1.03 0.00 0.00 54.13 52.13 2kt8 s LEU 29 Cb -0.01 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 2kt8 s LEU 29 CO -0.02 0.11 1.13 -0.44 0.23 0.00 0.00 176.35 177.36 2kt8 s SER 30 N -2.06 5.53 0.97 2.29 0.01 -1.26 -0.72 113.70 118.45 2kt8 s SER 30 Ca 0.11 2.14 -0.12 0.00 1.31 0.00 0.00 55.95 59.40 2kt8 s SER 30 Cb -0.10 -2.57 0.17 0.00 0.21 0.00 0.00 66.02 63.73 2kt8 s SER 30 CO 0.05 -1.35 1.09 -0.83 0.41 0.00 0.00 173.24 172.61 2kt8 s GLY 31 N -1.97 1.60 0.00 3.44 0.00 -1.26 -2.89 107.32 106.24 2kt8 s GLY 31 Ca 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 45.38 2kt8 s GLY 31 CO 0.31 0.49 0.00 0.70 0.00 0.00 0.00 173.10 174.60 2kt8 n ASN 32 N -4.16 -4.37 -4.76 1.64 3.02 0.13 -4.91 115.26 101.85 2kt8 n ASN 32 Ca 0.06 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.23 2kt8 n ASN 32 Cb 0.55 -2.93 -0.05 0.00 -0.61 0.00 0.00 39.78 36.74 2kt8 n ASN 32 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2kt8 s THR 33 N -0.86 4.92 0.38 3.41 2.01 -1.14 -4.71 115.64 119.65 2kt8 s THR 33 Ca 0.00 1.28 -0.24 0.00 0.31 0.00 0.00 61.69 63.04 2kt8 s THR 33 Cb 0.00 -3.95 -0.10 0.00 0.01 0.00 0.00 72.50 68.46 2kt8 s THR 33 CO 0.00 0.40 0.99 -0.54 -0.69 0.00 0.00 174.62 174.77 2kt8 s LYS 34 N -0.07 4.31 -0.06 4.92 1.02 -1.26 -2.56 119.74 126.04 2kt8 s LYS 34 Ca 0.32 1.34 0.03 0.00 0.02 0.00 0.00 55.97 57.68 2kt8 s LYS 34 Cb -0.18 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 2kt8 s LYS 34 CO 0.17 0.02 -0.16 0.14 -0.92 0.00 0.00 175.35 174.60 2kt8 s VAL 35 N -1.79 1.39 0.14 3.17 -7.23 -0.86 -4.93 120.40 110.28 2kt8 s VAL 35 Ca 0.57 -0.66 -0.31 0.00 -1.81 0.00 0.00 61.98 59.76 2kt8 s VAL 35 Cb -0.17 -1.22 -0.09 0.00 0.56 0.00 0.00 36.38 35.45 2kt8 s VAL 35 CO 0.22 0.41 1.56 -0.89 -0.31 0.00 0.00 175.10 176.09 2kt8 s THR 36 N 0.32 2.81 -0.22 5.32 2.01 -1.26 -2.68 115.64 121.93 2kt8 s THR 36 Ca -0.10 0.53 -0.09 0.00 0.31 0.00 0.00 61.69 62.34 2kt8 s THR 36 Cb -0.14 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 2kt8 s THR 36 CO 0.04 0.03 0.11 -0.63 -0.69 0.00 0.00 174.62 173.47 2kt8 s ILE 37 N 1.47 4.90 0.00 1.82 -1.09 0.65 -2.69 121.20 126.26 2kt8 s ILE 37 Ca 0.70 0.02 0.00 0.00 -2.23 0.00 0.00 60.65 59.14 2kt8 s ILE 37 Cb -0.42 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 2kt8 s ILE 37 CO 0.31 0.38 0.00 1.33 -1.23 0.00 0.00 174.94 175.73 2kt8 n VAL 38 N 4.23 0.00 -1.87 2.92 0.24 -1.20 -2.73 118.33 119.92 2kt8 n VAL 38 Ca -0.16 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 2kt8 n VAL 38 Cb 0.52 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 2kt8 n VAL 38 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kt8 n GLY 39 N 1.14 -1.20 3.31 7.63 0.00 -1.23 -5.02 105.19 109.82 2kt8 n GLY 39 Ca 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 2kt8 n GLY 39 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kt8 s GLU 40 N -0.79 1.07 -0.26 1.61 -1.05 -1.26 -1.96 118.70 116.05 2kt8 s GLU 40 Ca 0.00 -1.04 -0.04 0.00 -0.15 0.00 0.00 54.97 53.73 2kt8 s GLU 40 Cb 0.00 0.39 0.14 0.00 -0.44 0.00 0.00 34.13 34.22 2kt8 s GLU 40 CO 0.00 -0.39 0.51 -2.00 0.95 0.00 0.00 175.26 174.34 2kt8 s GLU 41 N -3.91 0.46 6.58 -4.83 2.12 -0.36 -4.82 118.70 113.93 2kt8 s GLU 41 Ca 0.12 0.98 0.00 0.00 0.36 0.00 0.00 54.97 56.43 2kt8 s GLU 41 Cb 0.03 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.72 2kt8 s GLU 41 CO -0.05 -0.47 0.00 0.41 -0.54 0.00 0.00 175.26 174.62 2kt8 n GLY 42 N 5.41 3.06 1.72 -1.50 0.00 -1.26 -1.71 105.19 110.90 2kt8 n GLY 42 Ca -0.05 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 2kt8 n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kt8 n ALA 43 N 9.97 4.30 -2.80 4.61 0.00 -1.26 -4.86 120.51 130.48 2kt8 n ALA 43 Ca 0.00 -1.72 -0.14 0.00 0.00 0.00 0.00 53.44 51.57 2kt8 n ALA 43 Cb 0.00 -1.26 -0.11 0.00 0.00 0.00 0.00 19.45 18.08 2kt8 n ALA 43 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2kt8 s PHE 44 N -2.04 0.83 -0.10 0.00 0.40 -0.70 -2.36 117.98 114.02 2kt8 s PHE 44 Ca 0.35 -0.50 -0.03 0.00 -0.60 0.00 0.00 56.93 56.15 2kt8 s PHE 44 Cb 0.29 -0.48 -0.03 0.00 0.51 0.00 0.00 43.02 43.30 2kt8 s PHE 44 CO 0.07 -0.05 0.03 0.71 0.70 0.00 0.00 175.22 176.69 2kt8 s TYR 45 N -1.43 3.26 -0.18 0.36 2.02 0.30 -1.23 117.35 120.46 2kt8 s TYR 45 Ca -0.07 0.26 -0.13 0.00 -0.37 0.00 0.00 57.07 56.76 2kt8 s TYR 45 Cb -0.09 -1.83 -0.05 0.00 -0.40 0.00 0.00 41.96 39.59 2kt8 s TYR 45 CO 0.01 0.51 0.27 0.21 -1.57 0.00 0.00 175.55 174.98 2kt8 s LYS 46 N -0.87 4.23 0.23 -0.62 2.20 -0.83 -2.38 119.74 121.70 2kt8 s LYS 46 Ca 0.13 0.03 0.05 0.00 -0.36 0.00 0.00 55.97 55.82 2kt8 s LYS 46 Cb -0.12 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.71 2kt8 s LYS 46 CO 0.03 0.21 -0.04 0.96 -0.36 0.00 0.00 175.35 176.14 2kt8 s ILE 47 N 0.58 1.28 -0.72 5.43 -4.36 -0.72 -3.21 121.20 119.49 2kt8 s ILE 47 Ca 0.15 -2.08 -0.27 0.00 -0.26 0.00 0.00 60.65 58.19 2kt8 s ILE 47 Cb -0.13 -2.29 0.02 0.00 1.25 0.00 0.00 42.46 41.31 2kt8 s ILE 47 CO 0.03 -0.39 1.41 -1.61 0.24 0.00 0.00 174.94 174.62 2kt8 s GLU 48 N -3.79 3.07 -0.03 0.37 2.02 -1.09 -2.03 118.70 117.21 2kt8 s GLU 48 Ca 0.27 -0.07 -0.19 0.00 0.02 0.00 0.00 54.97 55.00 2kt8 s GLU 48 Cb 0.04 -4.25 -0.05 0.00 0.10 0.00 0.00 34.13 29.97 2kt8 s GLU 48 CO 0.08 -2.29 0.53 -0.47 0.02 0.00 0.00 175.26 173.14 2kt8 s TYR 49 N 6.48 3.65 -0.73 1.61 5.04 0.10 -4.82 117.35 128.68 2kt8 s TYR 49 Ca 0.42 1.09 -0.26 0.00 -2.44 0.00 0.00 57.07 55.88 2kt8 s TYR 49 Cb -0.09 -2.54 -0.15 0.00 0.35 0.00 0.00 41.96 39.54 2kt8 s TYR 49 CO 0.16 0.36 2.48 1.63 -1.34 0.00 0.00 175.55 178.84 2kt8 n LYS 50 N 2.77 0.57 0.00 4.97 5.02 -1.26 0.08 118.16 130.30 2kt8 n LYS 50 Ca -0.08 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 2kt8 n LYS 50 Cb 0.51 -2.68 0.00 0.00 -0.02 0.00 0.00 35.03 32.85 2kt8 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kt8 n GLY 51 N 6.22 1.99 0.00 0.72 0.00 -1.26 -5.04 105.19 107.82 2kt8 n GLY 51 Ca 0.50 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2kt8 n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kt8 n SER 52 N 0.00 0.00 -4.42 1.61 3.41 0.11 -5.13 113.62 109.19 2kt8 n SER 52 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 2kt8 n SER 52 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 2kt8 n SER 52 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2kt8 s HIS 53 N -1.73 3.10 0.11 7.33 0.09 -1.26 0.03 115.29 122.97 2kt8 s HIS 53 Ca 0.00 -0.54 -0.11 0.00 -0.00 0.00 0.00 55.06 54.41 2kt8 s HIS 53 Cb 0.00 -2.25 -0.06 0.00 -0.00 0.00 0.00 32.58 30.26 2kt8 s HIS 53 CO 0.00 -0.41 0.45 0.20 -0.00 0.00 0.00 174.74 174.98 2kt8 s GLY 54 N 1.59 2.37 -0.07 -2.22 0.00 -0.86 -4.78 107.32 103.36 2kt8 s GLY 54 Ca 0.06 -0.30 0.04 0.00 0.00 0.00 0.00 44.72 44.51 2kt8 s GLY 54 CO 0.04 -0.08 -0.17 -0.19 0.00 0.00 0.00 173.10 172.70 2kt8 s TYR 55 N -1.45 2.64 0.05 1.90 1.51 0.46 -1.75 117.35 120.71 2kt8 s TYR 55 Ca 0.36 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.02 2kt8 s TYR 55 Cb -0.14 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 2kt8 s TYR 55 CO 0.19 -0.00 -0.05 0.14 -1.11 0.00 0.00 175.55 174.72 2kt8 s VAL 56 N -0.37 0.37 0.50 0.71 -7.23 -1.00 -2.56 120.40 110.82 2kt8 s VAL 56 Ca 0.03 -1.39 -0.20 0.00 -1.81 0.00 0.00 61.98 58.61 2kt8 s VAL 56 Cb -0.12 -0.96 -0.08 0.00 0.56 0.00 0.00 36.38 35.78 2kt8 s VAL 56 CO 0.02 -0.67 1.08 0.00 -0.31 0.00 0.00 175.10 175.22 2kt8 s ALA 57 N -2.50 2.83 0.35 1.32 0.00 -1.26 -0.53 121.76 121.97 2kt8 s ALA 57 Ca -0.03 0.71 0.05 0.00 0.00 0.00 0.00 51.96 52.68 2kt8 s ALA 57 Cb -0.02 -3.30 0.65 0.00 0.00 0.00 0.00 23.12 20.45 2kt8 s ALA 57 CO -0.04 -0.47 1.91 0.87 0.00 0.00 0.00 175.76 178.03 2kt8 h LYS 58 N 1.54 0.54 -0.64 0.00 1.57 -1.82 -2.32 116.57 115.44 2kt8 h LYS 58 Ca -0.50 -0.10 0.18 0.00 -1.87 0.00 0.00 60.65 58.37 2kt8 h LYS 58 Cb 1.24 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 2kt8 h LYS 58 CO 0.59 0.52 0.46 0.93 -0.57 0.00 0.00 179.45 181.37 2kt8 h GLU 59 N 0.53 0.01 -0.01 3.15 5.08 -1.92 0.80 114.58 122.23 2kt8 h GLU 59 Ca 0.12 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2kt8 h GLU 59 Cb 0.24 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2kt8 h GLU 59 CO 0.00 0.01 -0.11 0.66 -1.00 0.00 0.00 179.01 178.57 2kt8 n TYR 60 N -4.35 0.00 -4.17 4.33 4.01 -0.88 -4.80 117.16 111.30 2kt8 n TYR 60 Ca 0.12 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.52 2kt8 n TYR 60 Cb 0.70 -0.06 -0.12 0.00 -0.31 0.00 0.00 39.34 39.56 2kt8 n TYR 60 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2kt8 s ILE 61 N -2.22 4.12 0.02 -0.72 -1.09 0.28 -2.35 121.20 119.23 2kt8 s ILE 61 Ca 0.32 -0.27 -0.02 0.00 -2.23 0.00 0.00 60.65 58.45 2kt8 s ILE 61 Cb 0.20 -2.84 -0.02 0.00 -1.58 0.00 0.00 42.46 38.22 2kt8 s ILE 61 CO 0.42 0.45 0.01 -0.75 -1.23 0.00 0.00 174.94 173.84 2kt8 s LYS 62 N 0.67 0.38 -1.09 2.79 2.20 -1.03 -4.92 119.74 118.75 2kt8 s LYS 62 Ca -0.00 -0.60 -0.11 0.00 -0.36 0.00 0.00 55.97 54.90 2kt8 s LYS 62 Cb -0.14 0.14 -0.05 0.00 -1.51 0.00 0.00 37.83 36.27 2kt8 s LYS 62 CO 0.02 -0.07 0.88 -3.47 -0.36 0.00 0.00 175.35 172.35 2kt8 n ASP 63 N 1.45 -5.99 -4.55 1.43 -0.08 -1.26 -2.42 116.55 105.12 2kt8 n ASP 63 Ca -0.23 -0.81 -0.39 0.00 -1.51 0.00 0.00 54.79 51.85 2kt8 n ASP 63 Cb 0.56 -4.60 -0.03 0.00 2.34 0.00 0.00 41.12 39.38 2kt8 n ASP 63 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2kt8 s ILE 64 N -3.42 3.58 0.04 5.18 1.01 -1.26 -4.15 121.20 122.18 2kt8 s ILE 64 Ca 0.44 0.19 -0.03 0.00 0.00 0.00 0.00 60.65 61.26 2kt8 s ILE 64 Cb -0.09 -4.49 -0.02 0.00 0.01 0.00 0.00 42.46 37.86 2kt8 s ILE 64 CO 0.78 -1.44 0.03 -0.54 0.00 0.00 0.00 174.94 173.77 2kt8 s LYS 65 N 6.27 0.55 -0.41 2.79 1.02 -1.03 -4.92 119.74 124.02 2kt8 s LYS 65 Ca 0.50 -0.90 -0.26 0.00 0.02 0.00 0.00 55.97 55.33 2kt8 s LYS 65 Cb -0.09 0.21 0.02 0.00 -0.52 0.00 0.00 37.83 37.44 2kt8 s LYS 65 CO 0.14 -0.12 0.95 0.34 -0.92 0.00 0.00 175.35 175.74 2kt8 s ASP 66 N -2.31 6.62 -0.74 2.83 -1.08 -1.26 -0.54 116.67 120.20 2kt8 s ASP 66 Ca -0.02 0.43 -0.26 0.00 -0.52 0.00 0.00 52.55 52.17 2kt8 s ASP 66 Cb 0.01 -2.47 0.02 0.00 -1.46 0.00 0.00 42.92 39.01 2kt8 s ASP 66 CO -0.06 -0.96 1.47 -0.70 0.52 0.00 0.00 175.17 175.44 2kt8 s GLU 67 N 3.67 3.05 0.00 4.34 2.56 -1.26 -4.39 118.70 126.66 2kt8 s GLU 67 Ca 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 54.97 55.27 2kt8 s GLU 67 Cb -0.11 -4.37 0.00 0.00 2.00 0.00 0.00 34.13 31.65 2kt8 s GLU 67 CO 0.22 -2.36 0.00 1.33 -0.56 0.00 0.00 175.26 173.90 2kt8 n VAL 68 N 6.70 0.00 -3.31 3.70 0.24 -1.26 -5.03 118.33 119.36 2kt8 n VAL 68 Ca 0.12 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.11 2kt8 n VAL 68 Cb 0.50 0.45 -0.04 0.00 -1.47 0.00 0.00 33.84 33.27 2kt8 n VAL 68 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 2kt8 s LEU 69 N 0.00 4.08 0.70 1.34 2.34 -1.26 -5.05 118.68 120.83 2kt8 s LEU 69 Ca 0.00 0.86 -0.16 0.00 0.06 0.00 0.00 54.13 54.88 2kt8 s LEU 69 Cb 0.00 -3.66 0.00 0.00 -0.56 0.00 0.00 46.19 41.98 2kt8 s LEU 69 CO 0.00 -0.17 1.06 -1.84 -1.06 0.00 0.00 176.35 174.34 2kt8 n GLU 70 N -0.63 0.66 -3.95 1.48 0.28 -1.26 -5.03 120.64 112.18 2kt8 n GLU 70 Ca -0.00 0.28 -0.10 0.00 -0.16 0.00 0.00 57.16 57.18 2kt8 n GLU 70 Cb 0.53 -2.31 -0.07 0.00 1.43 0.00 0.00 31.44 31.03 2kt8 n GLU 70 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 2kt8 s HIS 71 N -1.71 0.37 -0.05 -1.84 -3.43 -1.26 -5.03 115.29 102.35 2kt8 s HIS 71 Ca 0.76 -0.74 -0.01 0.00 -0.80 0.00 0.00 55.06 54.28 2kt8 s HIS 71 Cb -0.36 -0.03 0.00 0.00 -1.43 0.00 0.00 32.58 30.76 2kt8 s HIS 71 CO 0.48 -0.73 0.01 1.58 -2.00 0.00 0.00 174.74 174.07 2kt8 n HIS 72 N -0.22 -0.68 -2.32 0.38 -0.00 -1.26 -4.81 115.22 106.30 2kt8 n HIS 72 Ca -0.07 0.33 -0.42 0.00 -0.00 0.00 0.00 57.72 57.55 2kt8 n HIS 72 Cb 0.63 -1.49 -0.03 0.00 -0.00 0.00 0.00 29.99 29.10 2kt8 n HIS 72 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kt8 s HIS 73 N -0.85 3.25 -0.36 1.57 -0.00 -1.26 -5.00 115.29 112.65 2kt8 s HIS 73 Ca -0.01 1.11 -0.11 0.00 -0.00 0.00 0.00 55.06 56.04 2kt8 s HIS 73 Cb 0.00 -3.54 0.01 0.00 -0.00 0.00 0.00 32.58 29.05 2kt8 s HIS 73 CO 0.13 -1.80 0.21 -3.38 -0.00 0.00 0.00 174.74 169.90 2kt8 s HIS 74 N 1.45 3.22 -0.00 0.38 -3.43 -1.26 -5.06 115.29 110.59 2kt8 s HIS 74 Ca 0.61 -0.68 -0.06 0.00 -0.80 0.00 0.00 55.06 54.13 2kt8 s HIS 74 Cb -0.31 -2.44 0.00 0.00 -1.43 0.00 0.00 32.58 28.39 2kt8 s HIS 74 CO 0.28 -0.54 0.12 -1.01 -2.00 0.00 0.00 174.74 171.59 2kt8 s HIS 75 N 1.62 0.04 -2.00 0.38 3.76 -1.26 -5.29 115.29 112.54 2kt8 s HIS 75 Ca 0.04 -0.12 0.18 0.00 -0.15 0.00 0.00 55.06 55.00 2kt8 s HIS 75 Cb -0.18 -0.05 1.05 0.00 1.11 0.00 0.00 32.58 34.50 2kt8 s HIS 75 CO 0.08 -0.25 1.45 0.72 -0.85 0.00 0.00 174.74 175.89