#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 3.52 0.21 0.00 0.41 -1.26 -4.81 118.70 116.77 2kt8 s GLU 2 Ca 0.00 1.30 0.08 0.00 -0.41 0.00 0.00 54.97 55.94 2kt8 s GLU 2 Cb 0.00 -2.06 -0.04 0.00 -1.78 0.00 0.00 34.13 30.25 2kt8 s GLU 2 CO 0.00 -0.66 -0.01 0.15 -0.49 0.00 0.00 175.26 174.25 2kt8 s LYS 3 N -3.67 2.33 0.07 1.61 1.02 -1.09 -0.68 119.74 119.33 2kt8 s LYS 3 Ca 0.66 -1.25 0.03 0.00 0.02 0.00 0.00 55.97 55.43 2kt8 s LYS 3 Cb -0.17 -2.26 -0.03 0.00 -0.52 0.00 0.00 37.83 34.85 2kt8 s LYS 3 CO 0.29 0.41 -0.09 0.95 -0.92 0.00 0.00 175.35 175.99 2kt8 s THR 4 N -1.97 0.76 -0.04 2.17 -4.23 -0.77 0.48 115.64 112.04 2kt8 s THR 4 Ca 0.29 -1.35 0.01 0.00 -1.18 0.00 0.00 61.69 59.46 2kt8 s THR 4 Cb -0.08 -0.99 0.02 0.00 1.34 0.00 0.00 72.50 72.79 2kt8 s THR 4 CO 0.19 -0.44 -0.03 -0.83 -0.54 0.00 0.00 174.62 172.96 2kt8 s GLY 5 N -1.97 0.41 -0.14 3.99 0.00 -0.75 -2.53 107.32 106.33 2kt8 s GLY 5 Ca -0.02 -0.02 -0.28 0.00 0.00 0.00 0.00 44.72 44.40 2kt8 s GLY 5 CO 0.00 0.54 0.93 -0.42 0.00 0.00 0.00 173.10 174.15 2kt8 s ILE 6 N 1.04 4.82 -0.31 0.90 1.09 -1.01 -2.67 121.20 125.06 2kt8 s ILE 6 Ca -0.09 1.86 -0.25 0.00 -1.10 0.00 0.00 60.65 61.07 2kt8 s ILE 6 Cb -0.14 -4.23 0.00 0.00 -1.06 0.00 0.00 42.46 37.03 2kt8 s ILE 6 CO -0.01 0.01 0.85 -0.69 -0.10 0.00 0.00 174.94 175.00 2kt8 s VAL 7 N 2.10 4.73 -0.36 2.92 1.01 -1.08 -2.21 120.40 127.50 2kt8 s VAL 7 Ca 0.44 1.27 -0.06 0.00 0.00 0.00 0.00 61.98 63.63 2kt8 s VAL 7 Cb -0.17 -4.21 0.06 0.00 0.00 0.00 0.00 36.38 32.06 2kt8 s VAL 7 CO 0.15 -0.31 0.14 0.20 0.00 0.00 0.00 175.10 175.27 2kt8 s ASN 8 N 1.65 5.32 0.05 3.32 0.01 -1.09 0.17 114.94 124.36 2kt8 s ASN 8 Ca 0.35 -1.37 -0.00 0.00 -0.71 0.00 0.00 52.86 51.13 2kt8 s ASN 8 Cb -0.14 -1.87 -0.03 0.00 0.41 0.00 0.00 41.25 39.62 2kt8 s ASN 8 CO 0.13 -0.40 -0.04 0.68 -1.51 0.00 0.00 177.10 175.97 2kt8 s VAL 9 N 1.35 0.26 -0.64 1.60 -7.23 -1.26 -4.86 120.40 109.61 2kt8 s VAL 9 Ca 0.00 -1.54 0.23 0.00 -1.81 0.00 0.00 61.98 58.87 2kt8 s VAL 9 Cb -0.21 -1.14 0.24 0.00 0.56 0.00 0.00 36.38 35.83 2kt8 s VAL 9 CO 0.01 -0.82 1.71 -1.54 -0.31 0.00 0.00 175.10 174.16 2kt8 n SER 10 N 0.58 0.58 0.00 4.85 3.41 -1.26 -4.82 113.62 116.96 2kt8 n SER 10 Ca -0.17 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 2kt8 n SER 10 Cb 0.59 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 2kt8 n SER 10 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2kt8 n SER 11 N -2.11 0.00 -4.94 4.04 3.41 -1.26 -5.14 113.62 107.62 2kt8 n SER 11 Ca 0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.44 2kt8 n SER 11 Cb 0.28 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.21 2kt8 n SER 11 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2kt8 s SER 12 N 1.65 6.06 -0.07 4.04 0.01 -1.26 -3.81 113.70 120.31 2kt8 s SER 12 Ca 0.00 -0.07 0.05 0.00 1.31 0.00 0.00 55.95 57.25 2kt8 s SER 12 Cb 0.00 -1.61 -0.01 0.00 0.21 0.00 0.00 66.02 64.61 2kt8 s SER 12 CO 0.00 -0.15 -0.23 -0.22 0.41 0.00 0.00 173.24 173.05 2kt8 s LEU 13 N -3.99 2.04 -0.10 2.44 2.96 -0.63 -4.94 118.68 116.47 2kt8 s LEU 13 Ca 0.36 -0.50 -0.21 0.00 -0.22 0.00 0.00 54.13 53.56 2kt8 s LEU 13 Cb -0.09 -1.32 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 2kt8 s LEU 13 CO 0.29 0.20 0.60 0.20 -1.32 0.00 0.00 176.35 176.32 2kt8 s ASN 14 N 0.05 6.84 -0.06 3.68 0.01 -1.26 -1.63 114.94 122.57 2kt8 s ASN 14 Ca -0.09 1.01 -0.20 0.00 -0.71 0.00 0.00 52.86 52.87 2kt8 s ASN 14 Cb -0.15 -2.36 -0.05 0.00 0.41 0.00 0.00 41.25 39.11 2kt8 s ASN 14 CO 0.05 -0.08 0.56 -0.69 -1.51 0.00 0.00 177.10 175.43 2kt8 s VAL 15 N 0.82 5.05 -0.16 1.60 1.01 -0.47 -4.95 120.40 123.29 2kt8 s VAL 15 Ca 0.32 1.14 -0.08 0.00 0.00 0.00 0.00 61.98 63.37 2kt8 s VAL 15 Cb -0.16 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2kt8 s VAL 15 CO 0.14 0.37 0.10 -0.13 0.00 0.00 0.00 175.10 175.58 2kt8 s ARG 16 N 0.23 3.78 0.10 2.72 0.52 -0.98 -2.57 118.95 122.74 2kt8 s ARG 16 Ca 0.30 -0.24 -0.15 0.00 -0.52 0.00 0.00 55.73 55.11 2kt8 s ARG 16 Cb -0.17 -3.23 -0.08 0.00 0.52 0.00 0.00 34.95 31.99 2kt8 s ARG 16 CO 0.14 0.48 1.44 1.49 0.02 0.00 0.00 175.30 178.87 2kt8 h GLU 17 N 6.00 0.66 0.00 3.54 4.22 -1.77 0.35 114.58 127.58 2kt8 h GLU 17 Ca -0.45 -0.32 -0.44 0.00 0.08 0.00 0.00 59.36 58.23 2kt8 h GLU 17 Cb 1.18 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.45 2kt8 h GLU 17 CO 0.67 0.93 -0.09 0.41 -2.18 0.00 0.00 179.01 178.75 2kt8 n GLY 18 N 0.08 2.08 0.49 1.92 0.00 -1.26 -4.53 105.19 103.97 2kt8 n GLY 18 Ca -0.04 -2.22 0.13 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.36 2.85 -1.95 4.61 0.00 -1.26 -4.58 120.51 117.82 2kt8 n ALA 19 Ca -0.12 -0.50 -0.33 0.00 0.00 0.00 0.00 53.44 52.49 2kt8 n ALA 19 Cb 0.53 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 2kt8 n ALA 19 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2kt8 s SER 20 N -2.22 6.82 0.11 0.00 0.01 -1.26 -4.98 113.70 112.18 2kt8 s SER 20 Ca 0.29 1.50 -0.17 0.00 1.31 0.00 0.00 55.95 58.88 2kt8 s SER 20 Cb 0.20 -2.47 -0.05 0.00 0.21 0.00 0.00 66.02 63.92 2kt8 s SER 20 CO 0.42 -0.33 1.59 0.74 0.41 0.00 0.00 173.24 176.07 2kt8 h THR 21 N 1.77 1.23 0.00 1.44 2.02 -2.03 -2.16 112.91 115.17 2kt8 h THR 21 Ca -0.48 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 65.92 2kt8 h THR 21 Cb 1.18 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 2kt8 h THR 21 CO 0.63 0.26 0.00 -0.24 0.37 0.00 0.00 175.52 176.54 2kt8 n SER 22 N -4.62 1.62 -4.78 4.18 2.88 -1.26 -4.86 113.62 106.77 2kt8 n SER 22 Ca -0.02 -1.72 -0.34 0.00 -1.33 0.00 0.00 58.87 55.45 2kt8 n SER 22 Cb 0.20 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 2kt8 n SER 22 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kt8 s SER 23 N 0.36 5.76 0.21 -3.46 0.01 -0.82 -4.98 113.70 110.79 2kt8 s SER 23 Ca 0.00 2.07 -0.30 0.00 1.31 0.00 0.00 55.95 59.03 2kt8 s SER 23 Cb 0.00 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 2kt8 s SER 23 CO 0.00 -1.19 1.16 -0.75 0.41 0.00 0.00 173.24 172.87 2kt8 s LYS 24 N -3.46 4.54 -0.03 12.44 2.20 -1.26 -4.84 119.74 129.34 2kt8 s LYS 24 Ca 0.70 1.84 -0.24 0.00 -0.36 0.00 0.00 55.97 57.91 2kt8 s LYS 24 Cb -0.21 -3.23 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 2kt8 s LYS 24 CO 0.28 0.01 0.74 0.08 -0.36 0.00 0.00 175.35 176.10 2kt8 s VAL 25 N -0.42 4.94 0.00 4.02 1.01 -1.26 -2.54 120.40 126.14 2kt8 s VAL 25 Ca 0.50 1.54 0.00 0.00 0.00 0.00 0.00 61.98 64.02 2kt8 s VAL 25 Cb -0.32 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 31.98 2kt8 s VAL 25 CO 0.38 0.29 0.00 2.30 0.00 0.00 0.00 175.10 178.07 2kt8 n ILE 26 N 3.45 0.00 -3.12 2.22 -5.35 -1.06 -4.99 119.36 110.51 2kt8 n ILE 26 Ca -0.01 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.28 2kt8 n ILE 26 Cb 0.51 -0.74 0.01 0.00 -1.74 0.00 0.00 39.64 37.68 2kt8 n ILE 26 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2kt8 s GLY 27 N -4.28 1.95 0.06 3.28 0.00 -1.25 -4.97 107.32 102.11 2kt8 s GLY 27 Ca 0.00 -1.78 -0.24 0.00 0.00 0.00 0.00 44.72 42.69 2kt8 s GLY 27 CO 0.00 -1.57 0.58 -1.35 0.00 0.00 0.00 173.10 170.76 2kt8 s SER 28 N -4.38 -0.53 0.06 1.64 1.04 -1.26 -1.37 113.70 108.89 2kt8 s SER 28 Ca 0.55 0.23 0.03 0.00 0.48 0.00 0.00 55.95 57.24 2kt8 s SER 28 Cb -0.08 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 2kt8 s SER 28 CO 0.33 -0.78 -0.10 -0.76 0.98 0.00 0.00 173.24 172.91 2kt8 s LEU 29 N -2.08 2.28 0.00 2.42 1.43 -0.64 -4.95 118.68 117.14 2kt8 s LEU 29 Ca -0.04 -0.60 0.31 0.00 -1.03 0.00 0.00 54.13 52.76 2kt8 s LEU 29 Cb -0.01 -0.30 1.63 0.00 0.03 0.00 0.00 46.19 47.55 2kt8 s LEU 29 CO -0.03 -0.17 2.08 -0.24 0.23 0.00 0.00 176.35 178.22 2kt8 n SER 30 N 1.30 0.28 0.00 2.29 2.88 -1.26 -1.60 113.62 117.52 2kt8 n SER 30 Ca -0.22 -0.88 0.00 0.00 -1.33 0.00 0.00 58.87 56.44 2kt8 n SER 30 Cb 0.55 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2kt8 n SER 30 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kt8 n GLY 31 N 1.11 1.36 2.94 0.46 0.00 -1.25 -4.48 105.19 105.33 2kt8 n GLY 31 Ca 0.20 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2kt8 n GLY 31 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kt8 n ASN 32 N -0.24 -2.00 -4.76 1.61 5.03 0.13 -4.88 115.26 110.14 2kt8 n ASN 32 Ca 0.00 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.06 2kt8 n ASN 32 Cb 0.00 -2.03 -0.06 0.00 -1.02 0.00 0.00 39.78 36.68 2kt8 n ASN 32 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2kt8 s THR 33 N -0.64 4.00 -0.04 3.41 2.01 -1.26 -4.64 115.64 118.48 2kt8 s THR 33 Ca 0.00 1.89 -0.21 0.00 0.31 0.00 0.00 61.69 63.69 2kt8 s THR 33 Cb 0.00 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 2kt8 s THR 33 CO 0.00 0.36 0.60 -0.75 -0.69 0.00 0.00 174.62 174.14 2kt8 s LYS 34 N -1.51 4.35 -0.06 4.92 2.20 -1.26 -2.64 119.74 125.73 2kt8 s LYS 34 Ca 0.45 0.73 0.04 0.00 -0.36 0.00 0.00 55.97 56.83 2kt8 s LYS 34 Cb -0.25 -3.38 -0.00 0.00 -1.51 0.00 0.00 37.83 32.69 2kt8 s LYS 34 CO 0.31 0.26 -0.19 0.14 -0.36 0.00 0.00 175.35 175.51 2kt8 s VAL 35 N 0.18 1.62 0.12 4.02 -7.23 -1.09 -4.96 120.40 113.06 2kt8 s VAL 35 Ca 0.32 -0.81 -0.30 0.00 -1.81 0.00 0.00 61.98 59.38 2kt8 s VAL 35 Cb -0.18 -1.40 -0.06 0.00 0.56 0.00 0.00 36.38 35.30 2kt8 s VAL 35 CO 0.16 0.46 1.07 0.42 -0.31 0.00 0.00 175.10 176.91 2kt8 s THR 36 N 0.12 4.15 -0.15 5.32 -4.23 -1.26 -1.82 115.64 117.77 2kt8 s THR 36 Ca -0.08 1.74 -0.02 0.00 -1.18 0.00 0.00 61.69 62.15 2kt8 s THR 36 Cb -0.14 -4.11 -0.02 0.00 1.34 0.00 0.00 72.50 69.57 2kt8 s THR 36 CO 0.04 0.25 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.66 2kt8 s ILE 37 N 0.17 3.47 -1.02 2.99 1.01 0.18 -2.75 121.20 125.25 2kt8 s ILE 37 Ca 0.51 -0.50 0.10 0.00 0.00 0.00 0.00 60.65 60.75 2kt8 s ILE 37 Cb -0.27 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.72 2kt8 s ILE 37 CO 0.32 0.50 0.69 1.33 0.00 0.00 0.00 174.94 177.78 2kt8 n VAL 38 N 3.66 0.00 -3.84 2.92 0.24 -1.19 -2.66 118.33 117.46 2kt8 n VAL 38 Ca -0.18 -0.43 0.01 0.00 -2.04 0.00 0.00 64.34 61.71 2kt8 n VAL 38 Cb 0.52 1.15 0.01 0.00 -1.47 0.00 0.00 33.84 34.05 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 -1.21 -0.20 0.06 7.63 0.00 -1.26 -5.06 107.32 107.28 2kt8 s GLY 39 Ca 0.09 0.22 0.02 0.00 0.00 0.00 0.00 44.72 45.05 2kt8 s GLY 39 CO 0.22 3.17 -0.07 -1.83 0.00 0.00 0.00 173.10 174.59 2kt8 s GLU 40 N -2.21 0.60 -0.26 2.90 4.04 -1.26 -2.46 118.70 120.05 2kt8 s GLU 40 Ca 0.23 -0.94 -0.04 0.00 0.04 0.00 0.00 54.97 54.26 2kt8 s GLU 40 Cb 0.01 -0.20 0.14 0.00 0.02 0.00 0.00 34.13 34.10 2kt8 s GLU 40 CO -0.01 0.01 0.49 -2.00 -1.84 0.00 0.00 175.26 171.91 2kt8 s GLU 41 N -2.35 0.44 5.68 -4.83 -6.30 -0.69 -4.91 118.70 105.74 2kt8 s GLU 41 Ca -0.03 0.89 0.00 0.00 -2.50 0.00 0.00 54.97 53.33 2kt8 s GLU 41 Cb -0.05 0.16 0.00 0.00 0.00 0.00 0.00 34.13 34.24 2kt8 s GLU 41 CO -0.02 -0.50 0.00 0.41 0.02 0.00 0.00 175.26 175.17 2kt8 n GLY 42 N 5.40 2.96 1.44 -1.50 0.00 -1.26 -1.52 105.19 110.71 2kt8 n GLY 42 Ca -0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 46.02 45.65 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 9.21 3.66 -2.76 4.61 0.00 -1.26 -4.85 120.51 129.12 2kt8 n ALA 43 Ca 0.00 -1.27 -0.16 0.00 0.00 0.00 0.00 53.44 52.00 2kt8 n ALA 43 Cb 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.90 0.92 0.05 0.00 0.40 -0.58 -2.41 117.98 114.46 2kt8 s PHE 44 Ca 0.30 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.26 2kt8 s PHE 44 Cb 0.24 -0.54 -0.04 0.00 0.51 0.00 0.00 43.02 43.19 2kt8 s PHE 44 CO 0.08 -0.01 0.05 0.71 0.70 0.00 0.00 175.22 176.74 2kt8 s TYR 45 N -1.05 3.15 -0.21 0.36 2.02 0.09 -1.70 117.35 120.01 2kt8 s TYR 45 Ca -0.04 0.09 -0.15 0.00 -0.37 0.00 0.00 57.07 56.60 2kt8 s TYR 45 Cb -0.08 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 2kt8 s TYR 45 CO 0.01 0.51 0.35 0.21 -1.57 0.00 0.00 175.55 175.06 2kt8 s LYS 46 N -2.06 4.14 0.10 -0.62 2.20 -1.03 -2.55 119.74 119.93 2kt8 s LYS 46 Ca 0.25 0.10 0.05 0.00 -0.36 0.00 0.00 55.97 56.01 2kt8 s LYS 46 Cb -0.12 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 2kt8 s LYS 46 CO 0.17 -0.03 -0.12 0.96 -0.36 0.00 0.00 175.35 175.97 2kt8 s ILE 47 N 1.31 1.09 -0.51 5.43 -4.36 -0.70 -3.15 121.20 120.31 2kt8 s ILE 47 Ca 0.17 -1.61 -0.21 0.00 -0.26 0.00 0.00 60.65 58.73 2kt8 s ILE 47 Cb -0.15 -1.36 0.05 0.00 1.25 0.00 0.00 42.46 42.25 2kt8 s ILE 47 CO 0.07 -0.46 0.75 -1.61 0.24 0.00 0.00 174.94 173.93 2kt8 s GLU 48 N -2.58 3.23 -0.26 0.37 2.02 -1.11 -2.15 118.70 118.21 2kt8 s GLU 48 Ca 0.05 -0.58 -0.04 0.00 0.02 0.00 0.00 54.97 54.43 2kt8 s GLU 48 Cb -0.05 -4.06 0.02 0.00 0.10 0.00 0.00 34.13 30.14 2kt8 s GLU 48 CO 0.01 -1.29 -0.01 -0.47 0.02 0.00 0.00 175.26 173.53 2kt8 s TYR 49 N 3.15 3.09 -1.15 1.61 5.04 -0.65 -4.60 117.35 123.84 2kt8 s TYR 49 Ca 0.22 -1.30 -0.02 0.00 -2.44 0.00 0.00 57.07 53.53 2kt8 s TYR 49 Cb -0.16 -2.13 0.01 0.00 0.35 0.00 0.00 41.96 40.03 2kt8 s TYR 49 CO 0.16 -0.66 0.10 1.63 -1.34 0.00 0.00 175.55 175.44 2kt8 n LYS 50 N 4.75 -2.51 0.00 4.97 4.76 -1.26 0.59 118.16 129.46 2kt8 n LYS 50 Ca -0.16 0.62 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 2kt8 n LYS 50 Cb 0.48 -5.25 0.00 0.00 -1.84 0.00 0.00 35.03 28.41 2kt8 n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kt8 n GLY 51 N -0.91 2.27 3.96 0.72 0.00 -1.26 -5.02 105.19 104.95 2kt8 n GLY 51 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2kt8 n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kt8 s SER 52 N -3.14 5.09 -0.73 1.61 0.15 0.20 -5.03 113.70 111.84 2kt8 s SER 52 Ca 0.00 0.16 -0.14 0.00 0.70 0.00 0.00 55.95 56.67 2kt8 s SER 52 Cb 0.00 -0.95 0.19 0.00 -1.71 0.00 0.00 66.02 63.55 2kt8 s SER 52 CO 0.00 -1.33 0.67 -1.00 1.20 0.00 0.00 173.24 172.78 2kt8 s HIS 53 N -2.95 3.59 -0.08 3.44 3.76 -1.26 -1.64 115.29 120.14 2kt8 s HIS 53 Ca 0.58 -1.78 -0.13 0.00 -0.15 0.00 0.00 55.06 53.58 2kt8 s HIS 53 Cb -0.10 -3.80 -0.05 0.00 1.11 0.00 0.00 32.58 29.74 2kt8 s HIS 53 CO 0.41 -1.00 0.33 0.20 -0.85 0.00 0.00 174.74 173.83 2kt8 s GLY 54 N 2.61 2.33 -0.07 -2.22 0.00 -0.91 -4.68 107.32 104.38 2kt8 s GLY 54 Ca 0.13 -0.36 0.02 0.00 0.00 0.00 0.00 44.72 44.51 2kt8 s GLY 54 CO -0.05 0.19 -0.12 -0.19 0.00 0.00 0.00 173.10 172.94 2kt8 s TYR 55 N -0.45 2.79 0.08 1.90 1.51 0.12 -1.71 117.35 121.58 2kt8 s TYR 55 Ca 0.20 -0.16 0.02 0.00 -1.01 0.00 0.00 57.07 56.12 2kt8 s TYR 55 Cb -0.15 -1.69 -0.04 0.00 -0.11 0.00 0.00 41.96 39.98 2kt8 s TYR 55 CO 0.08 0.18 -0.07 0.14 -1.11 0.00 0.00 175.55 174.77 2kt8 s VAL 56 N -0.60 0.63 0.60 0.71 -7.23 -1.06 -2.33 120.40 111.12 2kt8 s VAL 56 Ca 0.09 -1.61 -0.18 0.00 -1.81 0.00 0.00 61.98 58.48 2kt8 s VAL 56 Cb -0.11 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 2kt8 s VAL 56 CO 0.01 -0.68 1.13 0.00 -0.31 0.00 0.00 175.10 175.25 2kt8 s ALA 57 N -2.76 2.58 0.24 1.32 0.00 -1.26 -0.73 121.76 121.15 2kt8 s ALA 57 Ca 0.03 0.73 -0.05 0.00 0.00 0.00 0.00 51.96 52.68 2kt8 s ALA 57 Cb -0.01 -3.35 0.27 0.00 0.00 0.00 0.00 23.12 20.03 2kt8 s ALA 57 CO -0.03 -1.02 1.80 0.87 0.00 0.00 0.00 175.76 177.38 2kt8 h LYS 58 N 0.68 1.04 0.00 0.00 1.57 -1.83 -2.21 116.57 115.82 2kt8 h LYS 58 Ca -0.49 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 2kt8 h LYS 58 Cb 1.26 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2kt8 h LYS 58 CO 0.55 0.87 0.19 0.39 -0.57 0.00 0.00 179.45 180.89 2kt8 n GLU 59 N -4.28 0.00 -0.04 3.15 1.02 -1.26 0.12 120.64 119.35 2kt8 n GLU 59 Ca 0.06 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2kt8 n GLU 59 Cb 0.20 -1.69 -0.12 0.00 -0.02 0.00 0.00 31.44 29.81 2kt8 n GLU 59 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2kt8 n TYR 60 N -1.11 0.00 -3.17 -0.32 4.01 -0.83 -4.90 117.16 110.84 2kt8 n TYR 60 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.35 2kt8 n TYR 60 Cb 0.19 -0.55 -0.05 0.00 -0.31 0.00 0.00 39.34 38.61 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 -2.74 5.10 0.02 -0.72 1.09 0.31 -2.67 121.20 121.60 2kt8 s ILE 61 Ca -0.07 1.20 -0.09 0.00 -1.10 0.00 0.00 60.65 60.59 2kt8 s ILE 61 Cb 0.07 -3.93 0.01 0.00 -1.06 0.00 0.00 42.46 37.54 2kt8 s ILE 61 CO 0.64 0.26 0.19 -0.75 -0.10 0.00 0.00 174.94 175.18 2kt8 s LYS 62 N 0.88 0.62 -1.12 2.79 2.20 -0.94 -4.93 119.74 119.24 2kt8 s LYS 62 Ca 0.31 -0.50 -0.07 0.00 -0.36 0.00 0.00 55.97 55.36 2kt8 s LYS 62 Cb -0.16 0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 36.38 2kt8 s LYS 62 CO 0.14 -0.17 0.88 -0.25 -0.36 0.00 0.00 175.35 175.59 2kt8 n ASP 63 N 1.02 -4.98 -4.72 1.43 8.00 -1.26 -2.42 116.55 113.61 2kt8 n ASP 63 Ca -0.21 -0.76 -0.42 0.00 0.71 0.00 0.00 54.79 54.11 2kt8 n ASP 63 Cb 0.57 -4.74 -0.03 0.00 -0.02 0.00 0.00 41.12 36.91 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 -3.43 3.47 -0.01 0.53 1.01 -1.26 -4.40 121.20 117.10 2kt8 s ILE 64 Ca 0.33 1.11 0.04 0.00 0.00 0.00 0.00 60.65 62.13 2kt8 s ILE 64 Cb -0.06 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 2kt8 s ILE 64 CO 0.77 0.12 -0.12 -0.54 0.00 0.00 0.00 174.94 175.16 2kt8 s LYS 65 N 0.63 0.98 -0.33 2.79 1.02 -1.05 -5.00 119.74 118.79 2kt8 s LYS 65 Ca 0.60 -0.43 -0.18 0.00 0.02 0.00 0.00 55.97 55.98 2kt8 s LYS 65 Cb -0.35 -0.95 -0.01 0.00 -0.52 0.00 0.00 37.83 36.00 2kt8 s LYS 65 CO 0.33 0.26 0.51 0.16 -0.92 0.00 0.00 175.35 175.68 2kt8 s ASP 66 N -0.27 6.34 -0.17 2.83 -4.77 -1.26 -1.85 116.67 117.51 2kt8 s ASP 66 Ca 0.04 0.10 -0.06 0.00 -3.30 0.00 0.00 52.55 49.34 2kt8 s ASP 66 Cb -0.05 -2.27 0.02 0.00 -1.09 0.00 0.00 42.92 39.54 2kt8 s ASP 66 CO -0.00 -0.43 0.11 1.21 0.70 0.00 0.00 175.17 176.76 2kt8 n GLU 67 N 5.69 -3.31 -2.87 2.11 0.00 0.14 -4.85 120.64 117.55 2kt8 n GLU 67 Ca -0.05 2.64 -0.43 0.00 0.00 0.00 0.00 57.16 59.32 2kt8 n GLU 67 Cb 0.49 -4.06 -0.04 0.00 0.00 0.00 0.00 31.44 27.83 2kt8 n GLU 67 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2kt8 s VAL 68 N -0.89 4.42 0.48 6.31 1.01 -1.26 -4.87 120.40 125.61 2kt8 s VAL 68 Ca -0.13 0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2kt8 s VAL 68 Cb 0.01 -4.54 0.00 0.00 0.00 0.00 0.00 36.38 31.85 2kt8 s VAL 68 CO 0.58 -1.14 0.00 0.18 0.00 0.00 0.00 175.10 174.72 2kt8 n LEU 69 N 7.39 -1.46 -3.42 3.92 4.32 -1.26 -5.01 117.00 121.47 2kt8 n LEU 69 Ca 0.00 2.39 -0.03 0.00 -0.02 0.00 0.00 56.01 58.34 2kt8 n LEU 69 Cb 0.47 -2.92 -0.05 0.00 -1.62 0.00 0.00 43.42 39.30 2kt8 n LEU 69 CO 0.63 -0.49 0.09 -0.70 -1.22 0.00 0.00 177.39 175.70 2kt8 s GLU 70 N -4.87 0.46 -0.21 3.23 -6.30 -1.26 -5.12 118.70 104.62 2kt8 s GLU 70 Ca 0.00 0.98 -0.29 0.00 -2.50 0.00 0.00 54.97 53.16 2kt8 s GLU 70 Cb 0.00 0.30 -0.00 0.00 0.00 0.00 0.00 34.13 34.42 2kt8 s GLU 70 CO 0.00 -0.45 1.15 -3.38 0.02 0.00 0.00 175.26 172.60 2kt8 s HIS 71 N 2.73 3.08 -0.97 5.30 0.00 -1.26 -4.87 115.29 119.30 2kt8 s HIS 71 Ca 0.08 1.23 0.21 0.00 -3.00 0.00 0.00 55.06 53.57 2kt8 s HIS 71 Cb -0.14 -3.42 -0.23 0.00 -4.00 0.00 0.00 32.58 24.80 2kt8 s HIS 71 CO -0.17 -1.10 0.88 -2.39 -1.00 0.00 0.00 174.74 170.96 2kt8 n HIS 72 N 6.52 0.00 -0.08 0.38 1.44 -1.26 -4.27 115.22 117.94 2kt8 n HIS 72 Ca 0.13 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.79 2kt8 n HIS 72 Cb 0.46 -0.01 0.15 0.00 0.12 0.00 0.00 29.99 30.71 2kt8 n HIS 72 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2kt8 h HIS 73 N 0.00 0.80 -0.59 -1.40 3.86 -2.03 -2.89 115.15 112.90 2kt8 h HIS 73 Ca 0.00 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.08 2kt8 h HIS 73 Cb 0.50 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 2kt8 h HIS 73 CO 0.00 0.79 0.39 1.25 0.86 0.00 0.00 177.93 181.22 2kt8 h HIS 74 N 0.68 0.74 -3.38 2.45 6.17 -2.00 -3.43 115.15 116.39 2kt8 h HIS 74 Ca 0.12 0.02 -0.17 0.00 0.71 0.00 0.00 60.37 61.04 2kt8 h HIS 74 Cb 0.53 -0.25 -0.25 0.00 2.52 0.00 0.00 27.41 29.97 2kt8 h HIS 74 CO 0.03 0.47 -0.51 -1.01 0.71 0.00 0.00 177.93 177.61 2kt8 s HIS 75 N -6.14 -0.12 -2.20 5.26 3.76 -1.09 -5.24 115.29 109.51 2kt8 s HIS 75 Ca -0.13 0.29 0.30 0.00 -0.15 0.00 0.00 55.06 55.38 2kt8 s HIS 75 Cb 0.13 0.03 1.56 0.00 1.11 0.00 0.00 32.58 35.41 2kt8 s HIS 75 CO 0.75 -0.14 2.03 -2.39 -0.85 0.00 0.00 174.74 174.14