#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 4.64 0.04 0.00 2.02 -1.26 -4.93 118.70 119.20 2kt8 s GLU 2 Ca 0.00 1.71 0.05 0.00 0.02 0.00 0.00 54.97 56.74 2kt8 s GLU 2 Cb 0.00 -3.26 -0.02 0.00 0.10 0.00 0.00 34.13 30.95 2kt8 s GLU 2 CO 0.00 0.16 -0.14 0.15 0.02 0.00 0.00 175.26 175.45 2kt8 s LYS 3 N -0.72 0.91 -0.04 1.61 -0.14 -0.99 -2.67 119.74 117.71 2kt8 s LYS 3 Ca 0.47 -0.76 0.02 0.00 -1.36 0.00 0.00 55.97 54.34 2kt8 s LYS 3 Cb -0.29 -0.92 0.01 0.00 -1.68 0.00 0.00 37.83 34.95 2kt8 s LYS 3 CO 0.36 0.22 -0.09 0.95 -0.76 0.00 0.00 175.35 176.04 2kt8 s THR 4 N -0.87 0.78 -0.08 2.17 -4.23 -0.99 0.53 115.64 112.94 2kt8 s THR 4 Ca 0.01 -0.33 0.04 0.00 -1.18 0.00 0.00 61.69 60.24 2kt8 s THR 4 Cb -0.08 -0.72 -0.00 0.00 1.34 0.00 0.00 72.50 73.04 2kt8 s THR 4 CO 0.01 0.26 -0.22 -0.83 -0.54 0.00 0.00 174.62 173.30 2kt8 s GLY 5 N 0.42 1.22 -0.11 3.99 0.00 -1.09 -2.54 107.32 109.21 2kt8 s GLY 5 Ca -0.07 -0.89 -0.24 0.00 0.00 0.00 0.00 44.72 43.52 2kt8 s GLY 5 CO 0.01 -0.35 0.72 -0.42 0.00 0.00 0.00 173.10 173.06 2kt8 s ILE 6 N 0.24 5.00 0.07 0.90 1.09 -1.08 -2.47 121.20 124.96 2kt8 s ILE 6 Ca -0.14 1.46 -0.30 0.00 -1.10 0.00 0.00 60.65 60.57 2kt8 s ILE 6 Cb -0.16 -4.05 -0.05 0.00 -1.06 0.00 0.00 42.46 37.13 2kt8 s ILE 6 CO 0.07 0.18 1.14 -0.69 -0.10 0.00 0.00 174.94 175.53 2kt8 s VAL 7 N 1.26 4.17 -0.26 2.92 1.01 -1.05 -2.39 120.40 126.06 2kt8 s VAL 7 Ca 0.37 1.61 0.02 0.00 0.00 0.00 0.00 61.98 63.97 2kt8 s VAL 7 Cb -0.17 -4.03 0.07 0.00 0.00 0.00 0.00 36.38 32.24 2kt8 s VAL 7 CO 0.16 0.15 -0.05 0.21 0.00 0.00 0.00 175.10 175.57 2kt8 s ASN 8 N 0.83 4.14 0.00 3.32 3.84 0.14 -1.15 114.94 126.06 2kt8 s ASN 8 Ca 0.56 -1.38 0.00 0.00 0.21 0.00 0.00 52.86 52.24 2kt8 s ASN 8 Cb -0.28 -1.32 0.00 0.00 -0.55 0.00 0.00 41.25 39.10 2kt8 s ASN 8 CO 0.30 -0.25 0.00 1.33 -2.79 0.00 0.00 177.10 175.69 2kt8 n VAL 9 N 4.56 0.00 0.00 -5.21 0.24 -1.26 -4.69 118.33 111.97 2kt8 n VAL 9 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2kt8 n VAL 9 Cb 0.43 0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 2kt8 n VAL 9 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2kt8 n SER 10 N 0.00 0.00 0.00 -1.34 2.88 -1.26 -4.35 113.62 109.54 2kt8 n SER 10 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2kt8 n SER 10 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2kt8 n SER 10 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2kt8 n SER 11 N 1.31 0.00 -3.54 -3.46 7.64 -1.26 -4.77 113.62 109.53 2kt8 n SER 11 Ca 0.00 0.08 -0.09 0.00 1.01 0.00 0.00 58.87 59.87 2kt8 n SER 11 Cb 0.00 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 2kt8 n SER 11 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2kt8 s SER 12 N -1.21 -0.35 -0.08 6.43 0.15 -1.26 -4.40 113.70 112.97 2kt8 s SER 12 Ca 0.00 0.16 0.03 0.00 0.70 0.00 0.00 55.95 56.85 2kt8 s SER 12 Cb 0.00 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2kt8 s SER 12 CO 0.00 -0.48 -0.19 -0.22 1.20 0.00 0.00 173.24 173.55 2kt8 s LEU 13 N -1.91 1.91 0.44 3.45 2.96 -0.41 -4.90 118.68 120.21 2kt8 s LEU 13 Ca 0.03 -0.45 -0.13 0.00 -0.22 0.00 0.00 54.13 53.36 2kt8 s LEU 13 Cb -0.01 -1.17 -0.07 0.00 0.50 0.00 0.00 46.19 45.44 2kt8 s LEU 13 CO -0.04 0.11 0.84 0.54 -1.32 0.00 0.00 176.35 176.48 2kt8 s ASN 14 N 0.45 6.56 -0.17 3.68 2.20 -1.26 0.19 114.94 126.58 2kt8 s ASN 14 Ca -0.17 1.28 -0.06 0.00 -0.94 0.00 0.00 52.86 52.98 2kt8 s ASN 14 Cb -0.17 -2.39 -0.04 0.00 -2.00 0.00 0.00 41.25 36.66 2kt8 s ASN 14 CO 0.07 -0.45 0.02 -0.69 -2.94 0.00 0.00 177.10 173.10 2kt8 s VAL 15 N -2.44 4.41 -0.19 3.54 1.01 -0.59 -4.89 120.40 121.25 2kt8 s VAL 15 Ca 0.54 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.28 2kt8 s VAL 15 Cb -0.10 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2kt8 s VAL 15 CO 0.31 0.48 0.05 -0.13 0.00 0.00 0.00 175.10 175.81 2kt8 s ARG 16 N 0.34 3.89 0.06 2.72 0.52 -0.85 -3.58 118.95 122.05 2kt8 s ARG 16 Ca 0.00 -0.39 -0.17 0.00 -0.52 0.00 0.00 55.73 54.66 2kt8 s ARG 16 Cb -0.13 -3.21 -0.15 0.00 0.52 0.00 0.00 34.95 31.99 2kt8 s ARG 16 CO 0.01 0.18 1.30 1.49 0.02 0.00 0.00 175.30 178.31 2kt8 h GLU 17 N 6.99 0.59 0.00 3.54 4.81 -1.77 0.34 114.58 129.07 2kt8 h GLU 17 Ca -0.36 -0.41 -0.28 0.00 -0.13 0.00 0.00 59.36 58.18 2kt8 h GLU 17 Cb 1.17 0.06 0.02 0.00 0.63 0.00 0.00 28.75 30.63 2kt8 h GLU 17 CO 0.67 1.03 -0.04 0.41 -0.73 0.00 0.00 179.01 180.34 2kt8 n GLY 18 N 0.50 1.98 2.20 1.92 0.00 -1.26 -4.60 105.19 105.93 2kt8 n GLY 18 Ca -0.07 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.47 2kt8 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kt8 n ALA 19 N -2.61 5.96 -2.74 4.61 0.00 -1.26 -4.73 120.51 119.74 2kt8 n ALA 19 Ca -0.08 -2.94 -0.17 0.00 0.00 0.00 0.00 53.44 50.25 2kt8 n ALA 19 Cb 0.34 -1.65 -0.12 0.00 0.00 0.00 0.00 19.45 18.02 2kt8 n ALA 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kt8 s SER 20 N -1.24 1.49 0.39 0.00 0.15 -1.26 -5.03 113.70 108.19 2kt8 s SER 20 Ca 0.55 -0.60 0.11 0.00 0.70 0.00 0.00 55.95 56.71 2kt8 s SER 20 Cb 0.43 -0.03 0.79 0.00 -1.71 0.00 0.00 66.02 65.50 2kt8 s SER 20 CO -0.00 -0.10 1.90 0.71 1.20 0.00 0.00 173.24 176.94 2kt8 h THR 21 N 4.34 1.19 -0.23 6.45 1.35 -2.03 -1.02 112.91 122.97 2kt8 h THR 21 Ca -0.40 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 2kt8 h THR 21 Cb 1.19 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 2kt8 h THR 21 CO 0.40 0.27 0.00 -1.54 -0.25 0.00 0.00 175.52 174.40 2kt8 n SER 22 N -4.23 1.73 -4.73 5.36 3.41 -1.26 -4.92 113.62 108.98 2kt8 n SER 22 Ca -0.01 -2.10 -0.36 0.00 -0.26 0.00 0.00 58.87 56.13 2kt8 n SER 22 Cb 0.31 -0.30 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 2kt8 n SER 22 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2kt8 s SER 23 N -0.75 4.65 0.29 4.04 0.01 -0.39 -4.92 113.70 116.62 2kt8 s SER 23 Ca 0.17 2.49 -0.29 0.00 1.31 0.00 0.00 55.95 59.62 2kt8 s SER 23 Cb 0.10 -2.61 -0.10 0.00 0.21 0.00 0.00 66.02 63.62 2kt8 s SER 23 CO 0.09 -1.97 1.42 -0.75 0.41 0.00 0.00 173.24 172.44 2kt8 s LYS 24 N -3.51 4.26 -0.32 12.44 2.20 -1.26 -4.74 119.74 128.82 2kt8 s LYS 24 Ca 0.79 2.32 -0.20 0.00 -0.36 0.00 0.00 55.97 58.52 2kt8 s LYS 24 Cb -0.33 -3.08 -0.01 0.00 -1.51 0.00 0.00 37.83 32.90 2kt8 s LYS 24 CO 0.39 -0.38 0.61 0.08 -0.36 0.00 0.00 175.35 175.69 2kt8 s VAL 25 N -0.42 4.94 -1.67 4.02 1.01 -1.26 -2.45 120.40 124.58 2kt8 s VAL 25 Ca 0.56 0.75 0.18 0.00 0.00 0.00 0.00 61.98 63.48 2kt8 s VAL 25 Cb -0.42 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 31.95 2kt8 s VAL 25 CO 0.48 -0.17 0.93 2.30 0.00 0.00 0.00 175.10 178.64 2kt8 n ILE 26 N 5.43 0.00 -3.99 2.22 -5.35 -1.23 -5.03 119.36 111.40 2kt8 n ILE 26 Ca -0.02 -0.31 0.02 0.00 -0.27 0.00 0.00 62.75 62.18 2kt8 n ILE 26 Cb 0.49 1.21 0.01 0.00 -1.74 0.00 0.00 39.64 39.61 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 1.24 0.29 3.65 3.28 0.00 -1.26 -5.05 105.19 107.35 2kt8 n GLY 27 Ca 0.08 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.62 -0.33 0.16 1.61 1.04 -1.26 -1.54 113.70 110.76 2kt8 s SER 28 Ca 0.18 -0.43 0.10 0.00 0.48 0.00 0.00 55.95 56.27 2kt8 s SER 28 Cb -0.00 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 2kt8 s SER 28 CO -0.01 -1.17 -0.21 -0.76 0.98 0.00 0.00 173.24 172.07 2kt8 s LEU 29 N -2.87 2.41 0.00 2.42 1.43 0.13 -4.94 118.68 117.26 2kt8 s LEU 29 Ca 0.09 -0.83 0.31 0.00 -1.03 0.00 0.00 54.13 52.66 2kt8 s LEU 29 Cb -0.03 -0.96 1.63 0.00 0.03 0.00 0.00 46.19 46.86 2kt8 s LEU 29 CO -0.00 0.04 2.10 -1.20 0.23 0.00 0.00 176.35 177.51 2kt8 n SER 30 N 0.42 0.06 0.00 2.29 7.64 -1.26 -1.29 113.62 121.48 2kt8 n SER 30 Ca -0.14 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.24 2kt8 n SER 30 Cb 0.56 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2kt8 n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kt8 n GLY 31 N 1.18 0.85 3.38 0.23 0.00 -1.26 -4.32 105.19 105.25 2kt8 n GLY 31 Ca 0.18 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2kt8 n GLY 31 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kt8 n ASN 32 N -0.53 -1.12 -4.74 1.61 2.85 -0.30 -4.89 115.26 108.14 2kt8 n ASN 32 Ca 0.00 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.07 2kt8 n ASN 32 Cb 0.00 -2.17 -0.05 0.00 1.24 0.00 0.00 39.78 38.80 2kt8 n ASN 32 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2kt8 s THR 33 N -0.78 4.83 0.16 -0.44 2.01 -1.26 -4.71 115.64 115.45 2kt8 s THR 33 Ca 0.00 1.60 -0.30 0.00 0.31 0.00 0.00 61.69 63.30 2kt8 s THR 33 Cb 0.00 -4.10 -0.07 0.00 0.01 0.00 0.00 72.50 68.34 2kt8 s THR 33 CO 0.00 0.32 0.94 -0.75 -0.69 0.00 0.00 174.62 174.44 2kt8 s LYS 34 N 0.23 4.74 -0.09 4.92 2.20 -1.26 -2.52 119.74 127.97 2kt8 s LYS 34 Ca 0.39 1.43 0.04 0.00 -0.36 0.00 0.00 55.97 57.47 2kt8 s LYS 34 Cb -0.20 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 2kt8 s LYS 34 CO 0.22 0.34 -0.22 0.14 -0.36 0.00 0.00 175.35 175.47 2kt8 s VAL 35 N -0.48 1.93 0.14 4.02 -7.23 -1.03 -4.97 120.40 112.78 2kt8 s VAL 35 Ca 0.44 -0.95 -0.30 0.00 -1.81 0.00 0.00 61.98 59.36 2kt8 s VAL 35 Cb -0.24 -1.67 -0.07 0.00 0.56 0.00 0.00 36.38 34.96 2kt8 s VAL 35 CO 0.30 0.53 1.19 -0.89 -0.31 0.00 0.00 175.10 175.93 2kt8 s THR 36 N 0.33 3.77 -0.17 5.32 2.01 -1.26 -2.67 115.64 122.96 2kt8 s THR 36 Ca -0.17 1.39 -0.04 0.00 0.31 0.00 0.00 61.69 63.19 2kt8 s THR 36 Cb -0.17 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 2kt8 s THR 36 CO 0.08 0.18 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.52 2kt8 s ILE 37 N 0.37 3.78 -1.17 1.82 1.01 0.19 -2.48 121.20 124.71 2kt8 s ILE 37 Ca 0.55 -0.39 0.10 0.00 0.00 0.00 0.00 60.65 60.91 2kt8 s ILE 37 Cb -0.31 -2.67 0.06 0.00 0.01 0.00 0.00 42.46 39.55 2kt8 s ILE 37 CO 0.33 0.47 0.77 1.33 0.00 0.00 0.00 174.94 177.85 2kt8 n VAL 38 N 3.83 0.00 -3.84 2.92 0.24 -1.24 -2.34 118.33 117.90 2kt8 n VAL 38 Ca -0.17 -0.48 -0.00 0.00 -2.04 0.00 0.00 64.34 61.65 2kt8 n VAL 38 Cb 0.52 1.19 0.01 0.00 -1.47 0.00 0.00 33.84 34.09 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 -0.96 -0.12 0.03 7.63 0.00 -1.26 -5.01 107.32 107.63 2kt8 s GLY 39 Ca 0.11 0.07 -0.00 0.00 0.00 0.00 0.00 44.72 44.89 2kt8 s GLY 39 CO 0.15 2.65 -0.03 -1.83 0.00 0.00 0.00 173.10 174.05 2kt8 s GLU 40 N -2.31 0.41 -0.26 2.90 -1.05 -1.26 -2.34 118.70 114.79 2kt8 s GLU 40 Ca 0.21 -0.80 -0.01 0.00 -0.15 0.00 0.00 54.97 54.22 2kt8 s GLU 40 Cb -0.00 0.14 0.14 0.00 -0.44 0.00 0.00 34.13 33.97 2kt8 s GLU 40 CO 0.01 -0.07 0.38 -2.00 0.95 0.00 0.00 175.26 174.52 2kt8 s GLU 41 N -2.23 0.36 5.89 -4.83 -6.30 -0.06 -4.88 118.70 106.65 2kt8 s GLU 41 Ca -0.09 0.38 0.00 0.00 -2.50 0.00 0.00 54.97 52.77 2kt8 s GLU 41 Cb -0.04 -0.47 0.00 0.00 0.00 0.00 0.00 34.13 33.62 2kt8 s GLU 41 CO -0.04 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 174.89 2kt8 n GLY 42 N 5.36 3.00 0.20 -1.50 0.00 -1.26 -1.25 105.19 109.74 2kt8 n GLY 42 Ca -0.03 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 9.15 2.56 -2.48 4.61 0.00 -1.26 -4.79 120.51 128.31 2kt8 n ALA 43 Ca 0.00 -0.25 -0.32 0.00 0.00 0.00 0.00 53.44 52.86 2kt8 n ALA 43 Cb 0.00 -1.19 -0.13 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.91 2.67 0.10 0.00 0.08 -0.38 -2.11 117.98 116.43 2kt8 s PHE 44 Ca 0.26 -0.18 0.05 0.00 0.12 0.00 0.00 56.93 57.18 2kt8 s PHE 44 Cb 0.13 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 40.96 2kt8 s PHE 44 CO 0.21 0.22 0.03 0.71 -0.10 0.00 0.00 175.22 176.28 2kt8 s TYR 45 N -0.81 3.04 0.02 0.36 2.02 -0.76 -0.88 117.35 120.35 2kt8 s TYR 45 Ca 0.13 -0.01 -0.17 0.00 -0.37 0.00 0.00 57.07 56.65 2kt8 s TYR 45 Cb -0.11 -1.54 -0.06 0.00 -0.40 0.00 0.00 41.96 39.85 2kt8 s TYR 45 CO 0.02 0.50 0.49 0.15 -1.57 0.00 0.00 175.55 175.14 2kt8 s LYS 46 N -2.44 4.08 0.05 -0.62 1.02 -0.99 -2.36 119.74 118.48 2kt8 s LYS 46 Ca 0.27 0.56 0.03 0.00 0.02 0.00 0.00 55.97 56.86 2kt8 s LYS 46 Cb -0.12 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 33.92 2kt8 s LYS 46 CO 0.20 0.62 -0.10 0.96 -0.92 0.00 0.00 175.35 176.11 2kt8 s ILE 47 N -0.95 0.75 -0.81 2.17 -4.36 -0.05 -3.59 121.20 114.35 2kt8 s ILE 47 Ca 0.26 -1.15 -0.22 0.00 -0.26 0.00 0.00 60.65 59.29 2kt8 s ILE 47 Cb -0.18 -0.77 0.09 0.00 1.25 0.00 0.00 42.46 42.84 2kt8 s ILE 47 CO 0.16 -0.32 1.12 -0.70 0.24 0.00 0.00 174.94 175.44 2kt8 s GLU 48 N -1.61 3.36 -0.30 0.37 2.12 -1.04 -0.81 118.70 120.78 2kt8 s GLU 48 Ca -0.07 -1.16 -0.09 0.00 0.36 0.00 0.00 54.97 54.01 2kt8 s GLU 48 Cb -0.10 -4.63 -0.01 0.00 0.26 0.00 0.00 34.13 29.65 2kt8 s GLU 48 CO 0.01 -1.88 0.14 -0.47 -0.54 0.00 0.00 175.26 172.52 2kt8 s TYR 49 N 3.84 3.17 -1.21 5.30 5.04 0.59 -4.44 117.35 129.63 2kt8 s TYR 49 Ca 0.30 -0.56 -0.03 0.00 -2.44 0.00 0.00 57.07 54.34 2kt8 s TYR 49 Cb -0.09 -2.34 0.02 0.00 0.35 0.00 0.00 41.96 39.90 2kt8 s TYR 49 CO 0.01 -0.45 0.21 1.17 -1.34 0.00 0.00 175.55 175.15 2kt8 n LYS 50 N 4.97 -2.85 0.00 4.97 4.81 -1.26 0.46 118.16 129.26 2kt8 n LYS 50 Ca -0.14 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 2kt8 n LYS 50 Cb 0.49 -5.28 0.00 0.00 0.02 0.00 0.00 35.03 30.26 2kt8 n LYS 50 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kt8 n GLY 51 N -1.00 3.16 3.91 3.14 0.00 -1.26 -5.02 105.19 108.12 2kt8 n GLY 51 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.87 5.29 -0.64 1.61 1.04 0.17 -5.00 113.70 115.29 2kt8 s SER 52 Ca 0.00 0.82 -0.14 0.00 0.48 0.00 0.00 55.95 57.11 2kt8 s SER 52 Cb 0.00 -1.63 0.16 0.00 0.10 0.00 0.00 66.02 64.66 2kt8 s SER 52 CO 0.00 -1.34 0.58 -1.00 0.98 0.00 0.00 173.24 172.45 2kt8 s HIS 53 N -3.23 3.48 0.52 5.02 3.76 -1.26 -0.30 115.29 123.28 2kt8 s HIS 53 Ca 0.57 -1.71 -0.04 0.00 -0.15 0.00 0.00 55.06 53.73 2kt8 s HIS 53 Cb -0.11 -3.73 -0.01 0.00 1.11 0.00 0.00 32.58 29.84 2kt8 s HIS 53 CO 0.48 -1.00 0.81 0.20 -0.85 0.00 0.00 174.74 174.38 2kt8 s GLY 54 N 2.77 1.55 -0.03 -2.22 0.00 0.01 -4.81 107.32 104.59 2kt8 s GLY 54 Ca 0.10 -0.71 0.06 0.00 0.00 0.00 0.00 44.72 44.18 2kt8 s GLY 54 CO -0.02 -0.49 -0.23 -0.19 0.00 0.00 0.00 173.10 172.17 2kt8 s TYR 55 N -2.80 2.12 0.05 1.90 1.51 0.12 -0.87 117.35 119.37 2kt8 s TYR 55 Ca 0.50 -0.50 0.01 0.00 -1.01 0.00 0.00 57.07 56.08 2kt8 s TYR 55 Cb -0.10 -1.38 -0.03 0.00 -0.11 0.00 0.00 41.96 40.34 2kt8 s TYR 55 CO 0.43 -0.10 -0.06 0.14 -1.11 0.00 0.00 175.55 174.85 2kt8 s VAL 56 N -0.35 0.45 0.28 0.71 -7.23 -0.99 -2.01 120.40 111.26 2kt8 s VAL 56 Ca 0.04 -1.34 -0.29 0.00 -1.81 0.00 0.00 61.98 58.57 2kt8 s VAL 56 Cb -0.11 -0.90 -0.10 0.00 0.56 0.00 0.00 36.38 35.83 2kt8 s VAL 56 CO 0.01 -0.60 1.14 0.00 -0.31 0.00 0.00 175.10 175.34 2kt8 s ALA 57 N -2.24 3.42 -0.72 1.32 0.00 -1.26 -1.83 121.76 120.45 2kt8 s ALA 57 Ca -0.04 0.96 0.19 0.00 0.00 0.00 0.00 51.96 53.07 2kt8 s ALA 57 Cb -0.04 -3.36 0.79 0.00 0.00 0.00 0.00 23.12 20.51 2kt8 s ALA 57 CO -0.02 -0.25 1.57 0.36 0.00 0.00 0.00 175.76 177.42 2kt8 n LYS 58 N 1.18 0.10 0.12 0.00 2.85 -0.90 -2.70 118.16 118.82 2kt8 n LYS 58 Ca -0.01 0.36 0.03 0.00 -1.05 0.00 0.00 58.31 57.64 2kt8 n LYS 58 Cb 0.44 -1.70 0.43 0.00 -0.65 0.00 0.00 35.03 33.55 2kt8 n LYS 58 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 2kt8 h GLU 59 N 0.00 0.26 -0.44 -1.58 4.11 -1.90 -1.93 114.58 113.10 2kt8 h GLU 59 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2kt8 h GLU 59 Cb 0.29 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2kt8 h GLU 59 CO 0.00 0.33 0.00 0.66 0.07 0.00 0.00 179.01 180.07 2kt8 n TYR 60 N -4.34 0.57 -4.06 2.06 4.01 -1.10 -4.89 117.16 109.41 2kt8 n TYR 60 Ca -0.00 -0.28 -0.35 0.00 -0.16 0.00 0.00 57.90 57.11 2kt8 n TYR 60 Cb 0.21 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.14 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 -1.43 4.53 0.12 -0.72 -1.09 -0.73 0.25 121.20 122.14 2kt8 s ILE 61 Ca 0.40 -0.12 -0.03 0.00 -2.23 0.00 0.00 60.65 58.67 2kt8 s ILE 61 Cb 0.23 -3.04 -0.03 0.00 -1.58 0.00 0.00 42.46 38.04 2kt8 s ILE 61 CO 0.32 0.45 0.09 -1.59 -1.23 0.00 0.00 174.94 172.98 2kt8 s LYS 62 N 0.54 0.92 -1.23 2.79 -2.85 -1.01 -4.91 119.74 113.99 2kt8 s LYS 62 Ca 0.02 -1.34 -0.02 0.00 -1.00 0.00 0.00 55.97 53.63 2kt8 s LYS 62 Cb -0.13 0.27 -0.01 0.00 -2.06 0.00 0.00 37.83 35.89 2kt8 s LYS 62 CO 0.01 -0.27 0.83 -0.25 0.10 0.00 0.00 175.35 175.78 2kt8 n ASP 63 N -0.08 -2.44 -4.67 0.03 8.00 -1.26 -2.62 116.55 113.51 2kt8 n ASP 63 Ca -0.07 -0.76 -0.43 0.00 0.71 0.00 0.00 54.79 54.24 2kt8 n ASP 63 Cb 0.63 -4.49 -0.02 0.00 -0.02 0.00 0.00 41.12 37.22 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 -3.52 4.66 0.01 0.53 1.01 -1.26 -4.45 121.20 118.19 2kt8 s ILE 64 Ca 0.09 1.98 -0.04 0.00 0.00 0.00 0.00 60.65 62.68 2kt8 s ILE 64 Cb -0.02 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 2kt8 s ILE 64 CO 0.78 -0.11 0.07 -1.59 0.00 0.00 0.00 174.94 174.09 2kt8 s LYS 65 N 2.78 0.44 0.33 2.79 -2.85 -1.05 -4.97 119.74 117.19 2kt8 s LYS 65 Ca 0.47 -0.53 -0.28 0.00 -1.00 0.00 0.00 55.97 54.62 2kt8 s LYS 65 Cb -0.17 0.17 -0.10 0.00 -2.06 0.00 0.00 37.83 35.67 2kt8 s LYS 65 CO 0.11 -0.10 1.23 0.34 0.10 0.00 0.00 175.35 177.04 2kt8 s ASP 66 N -1.53 6.86 -1.60 0.03 -1.08 -1.26 -2.35 116.67 115.75 2kt8 s ASP 66 Ca -0.14 2.54 -0.11 0.00 -0.52 0.00 0.00 52.55 54.32 2kt8 s ASP 66 Cb -0.07 -2.64 -0.06 0.00 -1.46 0.00 0.00 42.92 38.68 2kt8 s ASP 66 CO -0.00 -0.45 2.82 1.21 0.52 0.00 0.00 175.17 179.27 2kt8 n GLU 67 N 0.80 3.55 -1.96 4.34 4.07 -1.09 -4.81 120.64 125.53 2kt8 n GLU 67 Ca 0.00 -2.29 0.00 0.00 -0.06 0.00 0.00 57.16 54.82 2kt8 n GLU 67 Cb 0.43 -2.89 0.00 0.00 -0.06 0.00 0.00 31.44 28.92 2kt8 n GLU 67 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2kt8 n VAL 68 N 3.86 -7.61 -2.38 6.31 0.31 -1.26 -4.86 118.33 112.70 2kt8 n VAL 68 Ca 0.74 2.78 -0.39 0.00 -0.01 0.00 0.00 64.34 67.46 2kt8 n VAL 68 Cb 0.26 -3.86 -0.03 0.00 -0.91 0.00 0.00 33.84 29.29 2kt8 n VAL 68 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2kt8 s LEU 69 N -1.58 4.35 -0.44 7.52 1.43 -1.26 -4.88 118.68 123.82 2kt8 s LEU 69 Ca 0.00 2.31 0.07 0.00 -1.03 0.00 0.00 54.13 55.47 2kt8 s LEU 69 Cb 0.00 -3.85 0.18 0.00 0.03 0.00 0.00 46.19 42.55 2kt8 s LEU 69 CO 0.00 -0.42 0.60 -0.70 0.23 0.00 0.00 176.35 176.06 2kt8 s GLU 70 N -1.94 0.88 -0.03 1.70 2.12 -1.26 -5.04 118.70 115.14 2kt8 s GLU 70 Ca 0.51 -0.75 -0.00 0.00 0.36 0.00 0.00 54.97 55.09 2kt8 s GLU 70 Cb -0.31 -0.18 0.00 0.00 0.26 0.00 0.00 34.13 33.90 2kt8 s GLU 70 CO 0.39 -1.25 0.00 0.72 -0.54 0.00 0.00 175.26 174.58 2kt8 n HIS 71 N 3.79 -0.42 -2.15 5.30 8.25 -1.26 -4.81 115.22 123.92 2kt8 n HIS 71 Ca 0.15 0.19 -0.41 0.00 -0.26 0.00 0.00 57.72 57.39 2kt8 n HIS 71 Cb 0.54 -1.32 -0.02 0.00 1.12 0.00 0.00 29.99 30.31 2kt8 n HIS 71 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kt8 s HIS 72 N -1.04 3.12 0.11 4.41 -3.43 -1.26 -4.96 115.29 112.24 2kt8 s HIS 72 Ca -0.00 1.35 -0.30 0.00 -0.80 0.00 0.00 55.06 55.31 2kt8 s HIS 72 Cb 0.00 -3.65 -0.06 0.00 -1.43 0.00 0.00 32.58 27.43 2kt8 s HIS 72 CO 0.08 -1.86 1.16 -3.38 -2.00 0.00 0.00 174.74 168.75 2kt8 s HIS 73 N -0.78 3.48 -0.16 0.38 -3.43 -1.26 -5.02 115.29 108.50 2kt8 s HIS 73 Ca 0.51 1.41 -0.15 0.00 -0.80 0.00 0.00 55.06 56.04 2kt8 s HIS 73 Cb -0.39 -3.37 0.04 0.00 -1.43 0.00 0.00 32.58 27.43 2kt8 s HIS 73 CO 0.48 -1.04 0.43 -1.58 -2.00 0.00 0.00 174.74 171.03 2kt8 s HIS 74 N 0.53 -0.48 -0.11 0.38 2.46 -1.26 -5.09 115.29 111.72 2kt8 s HIS 74 Ca 0.55 1.17 -0.03 0.00 0.47 0.00 0.00 55.06 57.22 2kt8 s HIS 74 Cb -0.30 0.17 -0.03 0.00 -0.13 0.00 0.00 32.58 32.29 2kt8 s HIS 74 CO 0.32 -0.23 0.01 -1.01 -2.47 0.00 0.00 174.74 171.35 2kt8 s HIS 75 N 0.29 3.16 -2.00 3.88 3.76 -1.26 -5.32 115.29 117.80 2kt8 s HIS 75 Ca -0.00 0.09 0.24 0.00 -0.15 0.00 0.00 55.06 55.23 2kt8 s HIS 75 Cb -0.03 -1.87 1.41 0.00 1.11 0.00 0.00 32.58 33.20 2kt8 s HIS 75 CO -0.00 0.33 1.78 0.72 -0.85 0.00 0.00 174.74 176.71