#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 4.23 0.09 0.00 8.01 -1.26 -4.90 118.70 124.87 2kt8 s GLU 2 Ca 0.00 1.05 0.04 0.00 0.01 0.00 0.00 54.97 56.07 2kt8 s GLU 2 Cb 0.00 -2.35 -0.03 0.00 -4.31 0.00 0.00 34.13 27.44 2kt8 s GLU 2 CO 0.00 0.07 -0.11 0.15 0.01 0.00 0.00 175.26 175.37 2kt8 s LYS 3 N -2.93 0.83 -0.19 1.61 1.02 -1.08 -4.37 119.74 114.62 2kt8 s LYS 3 Ca 0.58 -1.07 -0.01 0.00 0.02 0.00 0.00 55.97 55.49 2kt8 s LYS 3 Cb -0.11 -0.64 0.00 0.00 -0.52 0.00 0.00 37.83 36.57 2kt8 s LYS 3 CO 0.16 0.12 -0.12 0.95 -0.92 0.00 0.00 175.35 175.53 2kt8 s THR 4 N -1.95 2.76 -0.08 2.17 -4.23 -1.23 -0.26 115.64 112.83 2kt8 s THR 4 Ca 0.02 -0.71 -0.05 0.00 -1.18 0.00 0.00 61.69 59.77 2kt8 s THR 4 Cb -0.06 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 2kt8 s THR 4 CO 0.01 0.49 0.14 -0.83 -0.54 0.00 0.00 174.62 173.89 2kt8 s GLY 5 N 1.20 2.13 -0.25 3.99 0.00 -0.93 -2.43 107.32 111.04 2kt8 s GLY 5 Ca 0.02 -0.71 -0.18 0.00 0.00 0.00 0.00 44.72 43.86 2kt8 s GLY 5 CO -0.05 -0.50 0.50 -0.42 0.00 0.00 0.00 173.10 172.62 2kt8 s ILE 6 N -1.12 5.09 -0.61 0.90 -1.09 -1.00 -2.43 121.20 120.95 2kt8 s ILE 6 Ca 0.19 0.85 -0.28 0.00 -2.23 0.00 0.00 60.65 59.19 2kt8 s ILE 6 Cb -0.12 -3.81 0.03 0.00 -1.58 0.00 0.00 42.46 36.98 2kt8 s ILE 6 CO 0.09 0.11 1.19 -0.69 -1.23 0.00 0.00 174.94 174.41 2kt8 s VAL 7 N 2.14 4.00 -0.49 2.92 1.01 -1.04 -2.60 120.40 126.33 2kt8 s VAL 7 Ca 0.21 0.76 -0.16 0.00 0.00 0.00 0.00 61.98 62.79 2kt8 s VAL 7 Cb -0.16 -4.75 0.09 0.00 0.00 0.00 0.00 36.38 31.56 2kt8 s VAL 7 CO 0.09 -1.41 0.45 0.21 0.00 0.00 0.00 175.10 174.43 2kt8 s ASN 8 N 3.09 6.16 0.08 3.32 2.47 -0.95 -0.76 114.94 128.35 2kt8 s ASN 8 Ca 0.40 -1.41 0.00 0.00 0.42 0.00 0.00 52.86 52.28 2kt8 s ASN 8 Cb -0.08 -2.20 -0.04 0.00 -1.45 0.00 0.00 41.25 37.48 2kt8 s ASN 8 CO 0.23 -0.73 -0.04 0.68 -3.72 0.00 0.00 177.10 173.53 2kt8 s VAL 9 N 1.73 0.44 -0.81 -5.21 -7.23 -1.26 -4.83 120.40 103.23 2kt8 s VAL 9 Ca 0.05 -1.88 0.26 0.00 -1.81 0.00 0.00 61.98 58.59 2kt8 s VAL 9 Cb -0.25 -1.66 0.12 0.00 0.56 0.00 0.00 36.38 35.15 2kt8 s VAL 9 CO 0.06 -0.88 1.54 -1.54 -0.31 0.00 0.00 175.10 173.96 2kt8 n SER 10 N 0.01 0.55 0.00 4.85 3.41 -1.26 -4.76 113.62 116.42 2kt8 n SER 10 Ca -0.12 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2kt8 n SER 10 Cb 0.61 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2kt8 n SER 10 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2kt8 n SER 11 N -1.88 0.00 -3.80 4.04 7.64 -1.26 -5.12 113.62 113.24 2kt8 n SER 11 Ca 0.05 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.84 2kt8 n SER 11 Cb 0.39 0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.58 2kt8 n SER 11 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2kt8 s SER 12 N -0.81 -0.23 -0.10 6.43 1.04 -1.26 -3.98 113.70 114.79 2kt8 s SER 12 Ca 0.00 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 55.86 2kt8 s SER 12 Cb 0.00 0.61 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 2kt8 s SER 12 CO 0.00 -1.12 -0.14 -0.22 0.98 0.00 0.00 173.24 172.74 2kt8 s LEU 13 N -2.91 2.71 0.08 2.42 2.96 -0.28 -4.95 118.68 118.72 2kt8 s LEU 13 Ca 0.12 -0.29 -0.15 0.00 -0.22 0.00 0.00 54.13 53.59 2kt8 s LEU 13 Cb -0.02 -1.59 -0.06 0.00 0.50 0.00 0.00 46.19 45.02 2kt8 s LEU 13 CO 0.01 0.22 0.50 0.20 -1.32 0.00 0.00 176.35 175.96 2kt8 s ASN 14 N 0.01 6.86 -0.20 3.68 0.01 -1.26 0.08 114.94 124.13 2kt8 s ASN 14 Ca -0.04 1.06 -0.11 0.00 -0.71 0.00 0.00 52.86 53.06 2kt8 s ASN 14 Cb -0.14 -2.28 -0.05 0.00 0.41 0.00 0.00 41.25 39.18 2kt8 s ASN 14 CO 0.04 0.22 0.17 -0.69 -1.51 0.00 0.00 177.10 175.33 2kt8 s VAL 15 N -1.26 5.38 0.26 1.60 1.01 0.61 -4.91 120.40 123.09 2kt8 s VAL 15 Ca 0.31 0.27 -0.05 0.00 0.00 0.00 0.00 61.98 62.51 2kt8 s VAL 15 Cb -0.17 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 2kt8 s VAL 15 CO 0.17 0.42 0.52 -0.13 0.00 0.00 0.00 175.10 176.08 2kt8 s ARG 16 N 0.46 3.64 0.13 2.72 0.52 -0.94 -2.66 118.95 122.81 2kt8 s ARG 16 Ca 0.10 0.00 -0.15 0.00 -0.52 0.00 0.00 55.73 55.16 2kt8 s ARG 16 Cb -0.12 -2.69 -0.01 0.00 0.52 0.00 0.00 34.95 32.65 2kt8 s ARG 16 CO -0.00 0.28 1.63 1.49 0.02 0.00 0.00 175.30 178.71 2kt8 h GLU 17 N 1.97 0.65 -1.20 3.54 4.81 -1.68 -2.80 114.58 119.87 2kt8 h GLU 17 Ca -0.47 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 58.59 2kt8 h GLU 17 Cb 1.18 -0.08 -0.23 0.00 0.63 0.00 0.00 28.75 30.25 2kt8 h GLU 17 CO 0.67 0.67 -0.39 0.20 -0.73 0.00 0.00 179.01 179.43 2kt8 s GLY 18 N -3.12 -1.02 0.00 1.92 0.00 -1.26 -4.63 107.32 99.22 2kt8 s GLY 18 Ca -0.13 1.06 0.00 0.00 0.00 0.00 0.00 44.72 45.65 2kt8 s GLY 18 CO 0.77 3.43 0.00 0.00 0.00 0.00 0.00 173.10 177.30 2kt8 n ALA 19 N 5.41 0.00 -1.46 3.20 0.00 -1.26 -4.90 120.51 121.50 2kt8 n ALA 19 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.50 2kt8 n ALA 19 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 2kt8 n ALA 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kt8 n SER 20 N 2.91 -7.00 -0.08 0.00 7.64 -1.26 -4.51 113.62 111.32 2kt8 n SER 20 Ca 0.00 1.50 -0.12 0.00 1.01 0.00 0.00 58.87 61.26 2kt8 n SER 20 Cb 0.00 -4.56 -0.05 0.00 -1.01 0.00 0.00 64.21 58.59 2kt8 n SER 20 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2kt8 h THR 21 N -0.25 1.29 -0.70 0.44 2.02 -2.03 -3.40 112.91 110.29 2kt8 h THR 21 Ca -0.04 -1.11 -0.33 0.00 0.77 0.00 0.00 66.41 65.70 2kt8 h THR 21 Cb 0.91 1.54 -0.24 0.00 -1.74 0.00 0.00 68.15 68.62 2kt8 h THR 21 CO 0.02 0.34 -0.70 -1.54 0.37 0.00 0.00 175.52 174.00 2kt8 n SER 22 N -4.55 -1.31 -2.46 4.18 3.41 -1.26 -5.07 113.62 106.56 2kt8 n SER 22 Ca -0.04 -3.43 -0.04 0.00 -0.26 0.00 0.00 58.87 55.10 2kt8 n SER 22 Cb 0.31 1.04 0.03 0.00 -0.26 0.00 0.00 64.21 65.34 2kt8 n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2kt8 n SER 23 N 0.46 -0.56 -4.77 4.04 3.41 -1.26 -4.98 113.62 109.96 2kt8 n SER 23 Ca 0.13 -0.83 -0.39 0.00 -0.26 0.00 0.00 58.87 57.51 2kt8 n SER 23 Cb 0.68 -0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 64.48 2kt8 n SER 23 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2kt8 s LYS 24 N -3.38 3.96 -0.21 4.33 1.02 -1.26 -4.82 119.74 119.38 2kt8 s LYS 24 Ca 0.10 2.11 -0.12 0.00 0.02 0.00 0.00 55.97 58.09 2kt8 s LYS 24 Cb -0.01 -2.74 -0.05 0.00 -0.52 0.00 0.00 37.83 34.52 2kt8 s LYS 24 CO 0.08 -0.48 0.21 0.08 -0.92 0.00 0.00 175.35 174.31 2kt8 s VAL 25 N -1.28 5.34 -1.82 3.17 1.01 -1.26 -1.87 120.40 123.69 2kt8 s VAL 25 Ca 0.57 0.32 0.19 0.00 0.00 0.00 0.00 61.98 63.06 2kt8 s VAL 25 Cb -0.37 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.48 2kt8 s VAL 25 CO 0.47 0.37 0.98 2.30 0.00 0.00 0.00 175.10 179.22 2kt8 n ILE 26 N 3.96 0.00 -2.03 2.22 -5.35 -1.09 -4.97 119.36 112.10 2kt8 n ILE 26 Ca -0.14 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 2kt8 n ILE 26 Cb 0.52 1.25 0.00 0.00 -1.74 0.00 0.00 39.64 39.66 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 1.25 -1.45 3.39 3.28 0.00 -1.26 -5.04 105.19 105.36 2kt8 n GLY 27 Ca 0.08 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 2kt8 n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kt8 s SER 28 N -2.44 -0.25 0.11 1.61 1.04 -1.26 -0.28 113.70 112.23 2kt8 s SER 28 Ca 0.00 -0.38 0.07 0.00 0.48 0.00 0.00 55.95 56.13 2kt8 s SER 28 Cb 0.00 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 2kt8 s SER 28 CO 0.00 -0.92 -0.18 -0.76 0.98 0.00 0.00 173.24 172.36 2kt8 s LEU 29 N -2.83 2.33 0.86 2.42 1.43 0.11 -4.90 118.68 118.10 2kt8 s LEU 29 Ca 0.05 -0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 2kt8 s LEU 29 Cb 0.01 -0.74 0.11 0.00 0.03 0.00 0.00 46.19 45.60 2kt8 s LEU 29 CO -0.09 -0.02 1.10 -0.94 0.23 0.00 0.00 176.35 176.64 2kt8 s SER 30 N -2.07 3.86 0.93 2.29 1.04 -1.26 -1.12 113.70 117.37 2kt8 s SER 30 Ca 0.06 1.32 -0.12 0.00 0.48 0.00 0.00 55.95 57.70 2kt8 s SER 30 Cb -0.09 -2.01 0.15 0.00 0.10 0.00 0.00 66.02 64.17 2kt8 s SER 30 CO 0.04 -2.37 1.09 -0.83 0.98 0.00 0.00 173.24 172.15 2kt8 s GLY 31 N -3.71 1.62 0.00 7.32 0.00 -1.26 -2.92 107.32 108.37 2kt8 s GLY 31 Ca 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.34 2kt8 s GLY 31 CO 0.55 0.50 0.00 0.70 0.00 0.00 0.00 173.10 174.85 2kt8 n ASN 32 N -4.04 -1.41 -4.74 1.64 3.02 0.06 -4.89 115.26 104.89 2kt8 n ASN 32 Ca 0.07 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.21 2kt8 n ASN 32 Cb 0.55 -2.30 -0.03 0.00 -0.61 0.00 0.00 39.78 37.38 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 -0.82 3.34 0.14 3.41 2.01 -1.15 -4.63 115.64 117.94 2kt8 s THR 33 Ca 0.00 1.17 -0.17 0.00 0.31 0.00 0.00 61.69 63.00 2kt8 s THR 33 Cb 0.00 -3.75 -0.07 0.00 0.01 0.00 0.00 72.50 68.69 2kt8 s THR 33 CO 0.00 0.21 0.59 -0.54 -0.69 0.00 0.00 174.62 174.19 2kt8 s LYS 34 N -0.56 4.12 -0.07 4.92 1.02 -1.26 -2.51 119.74 125.40 2kt8 s LYS 34 Ca 0.52 0.66 0.03 0.00 0.02 0.00 0.00 55.97 57.21 2kt8 s LYS 34 Cb -0.35 -3.03 0.01 0.00 -0.52 0.00 0.00 37.83 33.94 2kt8 s LYS 34 CO 0.40 0.52 -0.16 0.14 -0.92 0.00 0.00 175.35 175.33 2kt8 s VAL 35 N -1.35 1.40 -0.10 3.17 -7.23 -1.02 -4.94 120.40 110.33 2kt8 s VAL 35 Ca 0.36 -0.64 -0.30 0.00 -1.81 0.00 0.00 61.98 59.59 2kt8 s VAL 35 Cb -0.17 -1.24 -0.01 0.00 0.56 0.00 0.00 36.38 35.51 2kt8 s VAL 35 CO 0.20 0.41 1.01 -0.89 -0.31 0.00 0.00 175.10 175.51 2kt8 s THR 36 N 0.53 4.79 -0.19 5.32 2.01 -1.26 -2.18 115.64 124.65 2kt8 s THR 36 Ca -0.15 2.05 -0.07 0.00 0.31 0.00 0.00 61.69 63.83 2kt8 s THR 36 Cb -0.16 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.00 2kt8 s THR 36 CO 0.05 0.01 0.05 -0.63 -0.69 0.00 0.00 174.62 173.41 2kt8 s ILE 37 N 1.95 4.58 0.00 1.82 1.01 0.65 -2.72 121.20 128.48 2kt8 s ILE 37 Ca 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 61.03 2kt8 s ILE 37 Cb -0.18 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.21 2kt8 s ILE 37 CO 0.19 0.44 0.78 1.33 0.00 0.00 0.00 174.94 177.67 2kt8 n VAL 38 N 3.79 0.60 -3.65 2.92 0.24 -1.18 -2.65 118.33 118.40 2kt8 n VAL 38 Ca -0.17 -0.70 -0.00 0.00 -2.04 0.00 0.00 64.34 61.43 2kt8 n VAL 38 Cb 0.52 0.75 -0.01 0.00 -1.47 0.00 0.00 33.84 33.63 2kt8 n VAL 38 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kt8 s GLY 39 N -0.60 -0.36 0.10 7.63 0.00 -1.25 -5.07 107.32 107.77 2kt8 s GLY 39 Ca 0.00 0.57 0.06 0.00 0.00 0.00 0.00 44.72 45.34 2kt8 s GLY 39 CO 0.00 0.10 -0.14 -0.54 0.00 0.00 0.00 173.10 172.52 2kt8 s GLU 40 N -2.67 0.94 -0.26 2.90 2.02 -1.26 -2.51 118.70 117.86 2kt8 s GLU 40 Ca 0.13 -1.13 -0.02 0.00 0.02 0.00 0.00 54.97 53.98 2kt8 s GLU 40 Cb 0.03 -0.88 0.15 0.00 0.10 0.00 0.00 34.13 33.53 2kt8 s GLU 40 CO -0.02 0.18 0.43 -2.00 0.02 0.00 0.00 175.26 173.87 2kt8 s GLU 41 N -2.30 0.41 3.10 1.61 2.56 -0.81 -4.85 118.70 118.41 2kt8 s GLU 41 Ca 0.05 0.57 0.00 0.00 0.00 0.00 0.00 54.97 55.58 2kt8 s GLU 41 Cb -0.07 -0.24 0.00 0.00 2.00 0.00 0.00 34.13 35.82 2kt8 s GLU 41 CO 0.03 -0.70 0.00 0.41 -0.56 0.00 0.00 175.26 174.43 2kt8 n GLY 42 N 5.38 2.27 0.84 -1.50 0.00 -1.26 -0.52 105.19 110.41 2kt8 n GLY 42 Ca -0.02 -0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.74 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 7.41 2.84 -2.60 4.61 0.00 -1.26 -4.81 120.51 126.70 2kt8 n ALA 43 Ca 0.00 -0.46 -0.20 0.00 0.00 0.00 0.00 53.44 52.78 2kt8 n ALA 43 Cb 0.00 -1.03 -0.12 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.40 1.46 -0.07 0.00 0.40 0.32 -2.56 117.98 116.14 2kt8 s PHE 44 Ca 0.13 -0.46 -0.04 0.00 -0.60 0.00 0.00 56.93 55.96 2kt8 s PHE 44 Cb 0.10 -0.80 -0.04 0.00 0.51 0.00 0.00 43.02 42.79 2kt8 s PHE 44 CO 0.04 0.13 0.09 0.71 0.70 0.00 0.00 175.22 176.89 2kt8 s TYR 45 N -1.41 3.40 -0.23 0.36 2.02 0.69 -1.93 117.35 120.24 2kt8 s TYR 45 Ca 0.03 0.34 -0.16 0.00 -0.37 0.00 0.00 57.07 56.92 2kt8 s TYR 45 Cb -0.09 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 2kt8 s TYR 45 CO 0.03 0.61 0.42 0.21 -1.57 0.00 0.00 175.55 175.25 2kt8 s LYS 46 N -1.24 4.10 0.13 -0.62 2.20 -1.05 -2.55 119.74 120.71 2kt8 s LYS 46 Ca 0.18 0.18 0.06 0.00 -0.36 0.00 0.00 55.97 56.03 2kt8 s LYS 46 Cb -0.12 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 2kt8 s LYS 46 CO 0.07 -0.18 -0.14 0.96 -0.36 0.00 0.00 175.35 175.70 2kt8 s ILE 47 N 1.76 1.35 -0.37 5.43 -4.36 -0.49 -3.11 121.20 121.41 2kt8 s ILE 47 Ca 0.18 -1.75 -0.26 0.00 -0.26 0.00 0.00 60.65 58.56 2kt8 s ILE 47 Cb -0.15 -1.57 0.02 0.00 1.25 0.00 0.00 42.46 42.01 2kt8 s ILE 47 CO 0.09 -0.43 0.95 -1.61 0.24 0.00 0.00 174.94 174.18 2kt8 s GLU 48 N -2.74 3.86 -0.31 0.37 2.02 -1.10 -0.68 118.70 120.12 2kt8 s GLU 48 Ca 0.10 0.63 -0.08 0.00 0.02 0.00 0.00 54.97 55.64 2kt8 s GLU 48 Cb -0.05 -3.80 0.00 0.00 0.10 0.00 0.00 34.13 30.39 2kt8 s GLU 48 CO 0.03 -0.96 0.12 -0.47 0.02 0.00 0.00 175.26 174.00 2kt8 s TYR 49 N 3.53 3.17 0.00 1.61 5.04 0.15 -4.79 117.35 126.06 2kt8 s TYR 49 Ca 0.39 -0.80 0.00 0.00 -2.44 0.00 0.00 57.07 54.23 2kt8 s TYR 49 Cb -0.12 -2.31 0.00 0.00 0.35 0.00 0.00 41.96 39.88 2kt8 s TYR 49 CO 0.19 -0.53 0.00 1.63 -1.34 0.00 0.00 175.55 175.50 2kt8 n LYS 50 N 4.93 0.00 -0.03 4.97 5.02 -1.26 0.05 118.16 131.84 2kt8 n LYS 50 Ca -0.14 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.11 2kt8 n LYS 50 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.47 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 0.00 -0.09 3.95 0.72 0.00 -1.26 -5.05 105.19 103.46 2kt8 n GLY 51 Ca 0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 2kt8 n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kt8 s SER 52 N -4.49 5.13 -0.40 1.61 1.04 0.11 -5.05 113.70 111.65 2kt8 s SER 52 Ca -0.07 0.24 -0.17 0.00 0.48 0.00 0.00 55.95 56.43 2kt8 s SER 52 Cb 0.02 -1.05 0.01 0.00 0.10 0.00 0.00 66.02 65.10 2kt8 s SER 52 CO 0.13 -1.31 0.43 -1.00 0.98 0.00 0.00 173.24 172.48 2kt8 s HIS 53 N -2.97 3.17 0.29 5.02 3.76 -1.26 0.31 115.29 123.61 2kt8 s HIS 53 Ca 0.58 -0.28 -0.25 0.00 -0.15 0.00 0.00 55.06 54.96 2kt8 s HIS 53 Cb -0.10 -2.87 -0.09 0.00 1.11 0.00 0.00 32.58 30.62 2kt8 s HIS 53 CO 0.41 -0.65 0.88 0.20 -0.85 0.00 0.00 174.74 174.73 2kt8 s GLY 54 N 1.80 2.77 -0.06 -2.22 0.00 0.15 -4.82 107.32 104.94 2kt8 s GLY 54 Ca 0.13 0.43 0.06 0.00 0.00 0.00 0.00 44.72 45.33 2kt8 s GLY 54 CO 0.13 0.86 -0.24 -0.19 0.00 0.00 0.00 173.10 173.66 2kt8 s TYR 55 N -1.56 2.45 0.06 1.90 1.51 -1.06 -1.40 117.35 119.26 2kt8 s TYR 55 Ca 0.47 -0.68 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 2kt8 s TYR 55 Cb -0.19 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.03 2kt8 s TYR 55 CO 0.23 -0.19 -0.06 0.14 -1.11 0.00 0.00 175.55 174.57 2kt8 s VAL 56 N -0.21 0.47 0.55 0.71 -7.23 -1.06 -2.22 120.40 111.40 2kt8 s VAL 56 Ca -0.02 -1.55 -0.16 0.00 -1.81 0.00 0.00 61.98 58.43 2kt8 s VAL 56 Cb -0.13 -1.18 -0.06 0.00 0.56 0.00 0.00 36.38 35.57 2kt8 s VAL 56 CO 0.03 -0.73 1.02 0.00 -0.31 0.00 0.00 175.10 175.12 2kt8 s ALA 57 N -2.83 2.90 -0.14 1.32 0.00 -1.26 -0.22 121.76 121.53 2kt8 s ALA 57 Ca 0.01 0.30 0.29 0.00 0.00 0.00 0.00 51.96 52.57 2kt8 s ALA 57 Cb -0.00 -3.18 1.23 0.00 0.00 0.00 0.00 23.12 21.17 2kt8 s ALA 57 CO -0.04 -0.51 1.87 1.57 0.00 0.00 0.00 175.76 178.66 2kt8 h LYS 58 N 0.72 0.00 -0.34 0.00 2.10 -1.80 -2.89 116.57 114.37 2kt8 h LYS 58 Ca -0.47 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.12 2kt8 h LYS 58 Cb 1.20 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.52 2kt8 h LYS 58 CO 0.59 0.00 -0.06 1.05 -2.00 0.00 0.00 179.45 179.03 2kt8 h GLU 59 N 0.00 0.56 0.00 0.07 4.11 -1.92 -2.33 114.58 115.08 2kt8 h GLU 59 Ca 0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 59.29 2kt8 h GLU 59 Cb 0.43 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2kt8 h GLU 59 CO 0.00 0.63 -0.61 0.66 0.07 0.00 0.00 179.01 179.76 2kt8 n TYR 60 N -4.23 0.01 -3.91 2.06 4.01 -1.10 -4.79 117.16 109.21 2kt8 n TYR 60 Ca 0.01 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.40 2kt8 n TYR 60 Cb 0.29 -0.21 -0.14 0.00 -0.31 0.00 0.00 39.34 38.98 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 -3.01 3.61 0.28 -0.72 -1.09 -0.87 -2.25 121.20 117.16 2kt8 s ILE 61 Ca 0.10 -0.41 -0.08 0.00 -2.23 0.00 0.00 60.65 58.03 2kt8 s ILE 61 Cb 0.17 -2.65 -0.00 0.00 -1.58 0.00 0.00 42.46 38.40 2kt8 s ILE 61 CO 0.73 0.41 0.46 -1.59 -1.23 0.00 0.00 174.94 173.72 2kt8 s LYS 62 N 1.43 1.68 -1.28 2.79 -2.85 -1.07 -4.78 119.74 115.66 2kt8 s LYS 62 Ca 0.05 -1.48 -0.02 0.00 -1.00 0.00 0.00 55.97 53.52 2kt8 s LYS 62 Cb -0.14 0.45 0.01 0.00 -2.06 0.00 0.00 37.83 36.08 2kt8 s LYS 62 CO -0.01 -0.69 0.93 -0.25 0.10 0.00 0.00 175.35 175.42 2kt8 n ASP 63 N -0.79 -2.52 -4.71 0.03 8.00 -1.26 -2.37 116.55 112.92 2kt8 n ASP 63 Ca -0.01 -0.68 -0.42 0.00 0.71 0.00 0.00 54.79 54.39 2kt8 n ASP 63 Cb 0.62 -4.69 -0.03 0.00 -0.02 0.00 0.00 41.12 37.00 2kt8 n ASP 63 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2kt8 s ILE 64 N -3.45 3.72 -0.09 0.53 1.01 -1.26 -4.25 121.20 117.41 2kt8 s ILE 64 Ca 0.13 1.24 -0.04 0.00 0.00 0.00 0.00 60.65 61.97 2kt8 s ILE 64 Cb -0.06 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 2kt8 s ILE 64 CO 0.76 0.09 0.07 -0.54 0.00 0.00 0.00 174.94 175.33 2kt8 s LYS 65 N 1.10 3.19 -0.37 2.79 -0.14 -1.02 -5.00 119.74 120.29 2kt8 s LYS 65 Ca 0.61 -0.29 -0.15 0.00 -1.36 0.00 0.00 55.97 54.77 2kt8 s LYS 65 Cb -0.33 -2.97 -0.00 0.00 -1.68 0.00 0.00 37.83 32.85 2kt8 s LYS 65 CO 0.30 0.73 0.36 -0.51 -0.76 0.00 0.00 175.35 175.47 2kt8 s ASP 66 N -1.04 6.16 0.00 2.83 1.01 -1.26 -3.50 116.67 120.87 2kt8 s ASP 66 Ca 0.15 -0.43 0.28 0.00 0.71 0.00 0.00 52.55 53.27 2kt8 s ASP 66 Cb -0.12 -2.19 1.15 0.00 1.01 0.00 0.00 42.92 42.77 2kt8 s ASP 66 CO 0.04 -0.40 1.82 -0.62 0.21 0.00 0.00 175.17 176.23 2kt8 n GLU 67 N 5.38 0.45 -2.96 8.23 4.71 -1.26 -4.82 120.64 130.37 2kt8 n GLU 67 Ca -0.09 -0.14 -0.40 0.00 -0.01 0.00 0.00 57.16 56.52 2kt8 n GLU 67 Cb 0.49 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.37 2kt8 n GLU 67 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2kt8 s VAL 68 N -2.65 4.73 0.25 2.62 1.01 -1.26 -5.00 120.40 120.10 2kt8 s VAL 68 Ca 0.24 1.67 -0.30 0.00 0.00 0.00 0.00 61.98 63.58 2kt8 s VAL 68 Cb 0.19 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 2kt8 s VAL 68 CO 0.51 0.35 1.47 -0.76 0.00 0.00 0.00 175.10 176.68 2kt8 s LEU 69 N 0.00 4.38 0.32 3.92 1.43 -1.26 -4.96 118.68 122.51 2kt8 s LEU 69 Ca 0.39 2.71 -0.28 0.00 -1.03 0.00 0.00 54.13 55.92 2kt8 s LEU 69 Cb -0.21 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.30 2kt8 s LEU 69 CO 0.23 -0.74 1.10 -1.61 0.23 0.00 0.00 176.35 175.56 2kt8 s GLU 70 N -0.30 4.46 0.52 1.70 0.41 -1.26 -5.01 118.70 119.22 2kt8 s GLU 70 Ca 0.60 1.74 -0.20 0.00 -0.41 0.00 0.00 54.97 56.70 2kt8 s GLU 70 Cb -0.43 -2.98 -0.07 0.00 -1.78 0.00 0.00 34.13 28.88 2kt8 s GLU 70 CO 0.43 0.07 1.10 -1.58 -0.49 0.00 0.00 175.26 174.79 2kt8 s HIS 71 N -1.31 2.81 0.29 1.61 5.65 -1.26 -4.98 115.29 118.09 2kt8 s HIS 71 Ca 0.49 1.56 -0.29 0.00 0.25 0.00 0.00 55.06 57.07 2kt8 s HIS 71 Cb -0.29 -3.21 -0.10 0.00 -1.18 0.00 0.00 32.58 27.80 2kt8 s HIS 71 CO 0.38 -1.28 1.23 -1.01 -0.65 0.00 0.00 174.74 173.41 2kt8 s HIS 72 N -1.84 3.27 -0.55 3.88 3.76 -1.26 -3.98 115.29 118.57 2kt8 s HIS 72 Ca 0.70 1.48 -0.22 0.00 -0.15 0.00 0.00 55.06 56.87 2kt8 s HIS 72 Cb -0.21 -3.53 0.03 0.00 1.11 0.00 0.00 32.58 29.98 2kt8 s HIS 72 CO 0.25 -1.40 0.64 0.72 -0.85 0.00 0.00 174.74 174.10 2kt8 n HIS 73 N 1.29 -2.77 -0.22 1.40 8.25 -1.26 -4.85 115.22 117.05 2kt8 n HIS 73 Ca 0.01 1.14 -0.07 0.00 -0.26 0.00 0.00 57.72 58.53 2kt8 n HIS 73 Cb 0.43 -2.72 0.03 0.00 1.12 0.00 0.00 29.99 28.85 2kt8 n HIS 73 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kt8 h HIS 74 N 1.43 0.88 -3.12 4.41 6.17 -1.99 -3.43 115.15 119.50 2kt8 h HIS 74 Ca -0.40 -0.04 -0.16 0.00 0.71 0.00 0.00 60.37 60.48 2kt8 h HIS 74 Cb 1.28 -0.27 -0.25 0.00 2.52 0.00 0.00 27.41 30.68 2kt8 h HIS 74 CO 0.09 0.66 -0.42 -1.58 0.71 0.00 0.00 177.93 177.39 2kt8 s HIS 75 N -5.73 -0.28 0.00 5.26 2.46 -1.26 -5.15 115.29 110.59 2kt8 s HIS 75 Ca -0.13 0.68 0.00 0.00 0.47 0.00 0.00 55.06 56.08 2kt8 s HIS 75 Cb 0.13 0.10 0.00 0.00 -0.13 0.00 0.00 32.58 32.68 2kt8 s HIS 75 CO 0.79 -0.14 0.00 -2.39 -2.47 0.00 0.00 174.74 170.53