#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ki8 n GLY 2 N 0.00 1.82 3.43 3.03 0.00 -1.26 -5.10 105.19 107.11 2ki8 n GLY 2 Ca 0.00 0.41 -0.44 0.00 0.00 0.00 0.00 46.02 46.00 2ki8 n GLY 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ki8 s SER 3 N 0.00 6.24 0.09 1.61 1.04 -1.26 -5.02 113.70 116.41 2ki8 s SER 3 Ca 0.00 -1.25 -0.31 0.00 0.48 0.00 0.00 55.95 54.88 2ki8 s SER 3 Cb 0.00 -2.39 -0.10 0.00 0.10 0.00 0.00 66.02 63.63 2ki8 s SER 3 CO 0.00 -1.31 1.89 -0.44 0.98 0.00 0.00 173.24 174.36 2ki8 s SER 4 N 3.66 6.43 0.26 7.02 0.01 -1.26 -5.00 113.70 124.82 2ki8 s SER 4 Ca 0.21 2.74 -0.04 0.00 1.31 0.00 0.00 55.95 60.17 2ki8 s SER 4 Cb -0.17 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.46 2ki8 s SER 4 CO 0.06 -1.03 0.52 -1.00 0.41 0.00 0.00 173.24 172.20 2ki8 s HIS 5 N 3.40 3.48 -0.02 2.43 3.76 -1.26 -5.11 115.29 121.96 2ki8 s HIS 5 Ca 0.84 0.59 0.04 0.00 -0.15 0.00 0.00 55.06 56.38 2ki8 s HIS 5 Cb -0.45 -2.06 -0.01 0.00 1.11 0.00 0.00 32.58 31.17 2ki8 s HIS 5 CO 0.38 0.23 -0.14 -1.01 -0.85 0.00 0.00 174.74 173.35 2ki8 s HIS 6 N -2.02 1.34 -0.29 1.40 0.09 -1.26 -5.12 115.29 109.42 2ki8 s HIS 6 Ca 0.43 -0.29 -0.01 0.00 -0.00 0.00 0.00 55.06 55.18 2ki8 s HIS 6 Cb -0.11 -0.88 0.05 0.00 -0.00 0.00 0.00 32.58 31.64 2ki8 s HIS 6 CO 0.29 -0.06 -0.01 -3.38 -0.00 0.00 0.00 174.74 171.58 2ki8 s HIS 7 N -0.19 3.25 0.63 1.40 -0.00 -1.26 -5.11 115.29 114.01 2ki8 s HIS 7 Ca 0.03 -1.88 -0.14 0.00 -0.00 0.00 0.00 55.06 53.06 2ki8 s HIS 7 Cb -0.07 -2.09 -0.02 0.00 -0.00 0.00 0.00 32.58 30.40 2ki8 s HIS 7 CO 0.00 -0.80 1.06 -3.38 -0.00 0.00 0.00 174.74 171.62 2ki8 s HIS 8 N 1.25 2.98 0.34 0.38 0.00 -1.26 -5.09 115.29 113.89 2ki8 s HIS 8 Ca -0.05 1.49 0.04 0.00 -3.00 0.00 0.00 55.06 53.54 2ki8 s HIS 8 Cb -0.20 -2.99 -0.03 0.00 -4.00 0.00 0.00 32.58 25.36 2ki8 s HIS 8 CO -0.01 -1.20 0.17 -1.01 -1.00 0.00 0.00 174.74 171.68 2ki8 s HIS 9 N -2.61 1.69 0.53 0.38 4.02 -1.26 -5.17 115.29 112.87 2ki8 s HIS 9 Ca 0.62 -1.38 -0.05 0.00 1.02 0.00 0.00 55.06 55.27 2ki8 s HIS 9 Cb -0.16 -0.93 -0.01 0.00 -1.02 0.00 0.00 32.58 30.46 2ki8 s HIS 9 CO 0.42 -0.50 0.83 -1.01 1.02 0.00 0.00 174.74 175.51 2ki8 s HIS 10 N -3.46 3.39 -1.12 1.40 3.76 -1.26 -4.99 115.29 113.01 2ki8 s HIS 10 Ca 0.33 0.69 -0.22 0.00 -0.15 0.00 0.00 55.06 55.71 2ki8 s HIS 10 Cb 0.04 -2.51 0.01 0.00 1.11 0.00 0.00 32.58 31.23 2ki8 s HIS 10 CO 0.18 -0.55 1.74 -1.12 -0.85 0.00 0.00 174.74 174.15 2ki8 s SER 11 N -4.21 6.03 0.55 1.40 0.01 -1.26 -4.96 113.70 111.27 2ki8 s SER 11 Ca 0.51 -1.67 0.08 0.00 1.31 0.00 0.00 55.95 56.18 2ki8 s SER 11 Cb -0.10 -2.58 0.07 0.00 0.21 0.00 0.00 66.02 63.62 2ki8 s SER 11 CO 0.44 -1.98 0.76 -0.94 0.41 0.00 0.00 173.24 171.93 2ki8 s SER 12 N 5.65 5.15 -0.12 2.44 1.04 -1.26 -5.06 113.70 121.55 2ki8 s SER 12 Ca 0.58 -0.70 0.15 0.00 0.48 0.00 0.00 55.95 56.45 2ki8 s SER 12 Cb -0.00 0.05 0.44 0.00 0.10 0.00 0.00 66.02 66.61 2ki8 s SER 12 CO 0.03 -1.26 1.35 0.61 0.98 0.00 0.00 173.24 174.94 2ki8 n GLY 13 N -2.22 3.69 3.56 7.32 0.00 -1.26 -4.97 105.19 111.31 2ki8 n GLY 13 Ca 0.14 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 2ki8 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ki8 s ARG 14 N -2.26 2.97 0.00 1.61 0.52 -1.26 -4.99 118.95 115.55 2ki8 s ARG 14 Ca 0.35 0.40 0.00 0.00 -0.52 0.00 0.00 55.73 55.96 2ki8 s ARG 14 Cb 0.26 -4.26 0.00 0.00 0.52 0.00 0.00 34.95 31.48 2ki8 s ARG 14 CO 0.10 -2.34 0.00 -0.85 0.02 0.00 0.00 175.30 172.23 2ki8 n GLU 15 N 9.06 0.69 0.12 3.54 0.28 -1.26 -5.09 120.64 127.98 2ki8 n GLU 15 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.14 2ki8 n GLU 15 Cb 0.50 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.37 2ki8 n GLU 15 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2ki8 n ASN 16 N -1.57 -1.13 -1.46 -1.84 5.15 -1.26 -5.16 115.26 107.99 2ki8 n ASN 16 Ca 0.00 0.42 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 2ki8 n ASN 16 Cb 0.00 1.21 0.00 0.00 -0.53 0.00 0.00 39.78 40.46 2ki8 n ASN 16 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2ki8 n LEU 17 N -3.11 -4.19 -0.90 1.20 4.32 -1.26 -5.03 117.00 108.02 2ki8 n LEU 17 Ca 0.00 1.58 0.12 0.00 -0.02 0.00 0.00 56.01 57.69 2ki8 n LEU 17 Cb 0.00 -2.12 -0.04 0.00 -1.62 0.00 0.00 43.42 39.64 2ki8 n LEU 17 CO 0.00 -1.14 -0.29 -1.22 -1.22 0.00 0.00 177.39 173.53 2ki8 n TYR 18 N 0.95 -2.35 -2.63 -1.77 4.01 -1.26 -4.91 117.16 109.21 2ki8 n TYR 18 Ca 0.00 1.23 -0.01 0.00 -0.16 0.00 0.00 57.90 58.97 2ki8 n TYR 18 Cb 0.00 -2.14 0.05 0.00 -0.31 0.00 0.00 39.34 36.95 2ki8 n TYR 18 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2ki8 n PHE 19 N -3.63 -0.05 -4.17 -0.72 7.35 -1.26 -5.13 117.46 109.85 2ki8 n PHE 19 Ca -0.02 -1.53 -0.11 0.00 -0.76 0.00 0.00 57.45 55.03 2ki8 n PHE 19 Cb 0.42 0.38 -0.10 0.00 0.35 0.00 0.00 39.48 40.53 2ki8 n PHE 19 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 2ki8 s GLN 20 N -1.56 0.89 -0.08 -4.13 -2.07 -1.26 -4.99 119.66 106.45 2ki8 s GLN 20 Ca 0.20 -1.39 -0.01 0.00 -1.82 0.00 0.00 55.36 52.35 2ki8 s GLN 20 Cb 0.33 -0.09 0.00 0.00 -1.09 0.00 0.00 33.01 32.16 2ki8 s GLN 20 CO -0.08 -0.10 0.09 0.41 -1.32 0.00 0.00 175.29 174.28 2ki8 n GLY 21 N -0.08 -0.52 3.83 2.60 0.00 -1.26 -5.06 105.19 104.70 2ki8 n GLY 21 Ca -0.10 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 2ki8 n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ki8 s HIS 22 N -2.50 3.55 0.16 1.61 2.46 -1.26 -5.11 115.29 114.20 2ki8 s HIS 22 Ca 0.01 0.52 0.04 0.00 0.47 0.00 0.00 55.06 56.11 2ki8 s HIS 22 Cb -0.00 -2.06 -0.04 0.00 -0.13 0.00 0.00 32.58 30.35 2ki8 s HIS 22 CO 0.10 0.58 0.17 0.00 -2.47 0.00 0.00 174.74 173.11 2ki8 s MET 23 N -0.57 3.02 -0.20 2.88 0.23 -1.26 -4.84 119.30 118.57 2ki8 s MET 23 Ca 0.14 -0.80 -0.07 0.00 -1.03 0.00 0.00 55.69 53.93 2ki8 s MET 23 Cb -0.12 -2.72 -0.04 0.00 -1.53 0.00 0.00 34.83 30.42 2ki8 s MET 23 CO 0.03 0.50 0.06 -0.51 -2.03 0.00 0.00 175.02 173.06 2ki8 s LEU 24 N -3.11 3.66 -0.28 0.18 1.43 0.19 -4.89 118.68 115.86 2ki8 s LEU 24 Ca 0.32 -0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 53.11 2ki8 s LEU 24 Cb -0.10 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 2ki8 s LEU 24 CO 0.24 0.12 1.56 -1.61 0.23 0.00 0.00 176.35 176.89 2ki8 s GLU 25 N 0.70 3.70 0.10 1.70 2.02 -1.26 -0.88 118.70 124.77 2ki8 s GLU 25 Ca 0.03 1.43 0.03 0.00 0.02 0.00 0.00 54.97 56.48 2ki8 s GLU 25 Cb -0.13 -4.04 -0.04 0.00 0.10 0.00 0.00 34.13 30.02 2ki8 s GLU 25 CO 0.02 -1.41 -0.09 0.14 0.02 0.00 0.00 175.26 173.94 2ki8 s VAL 26 N 5.40 0.85 -0.31 2.63 -7.23 0.05 -4.65 120.40 117.15 2ki8 s VAL 26 Ca 0.69 -1.79 -0.13 0.00 -1.81 0.00 0.00 61.98 58.94 2ki8 s VAL 26 Cb -0.21 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.18 2ki8 s VAL 26 CO 0.30 -0.70 0.27 -0.70 -0.31 0.00 0.00 175.10 173.95 2ki8 s GLU 27 N -3.29 3.77 -0.43 4.82 2.12 -0.87 0.10 118.70 124.92 2ki8 s GLU 27 Ca 0.09 -0.36 -0.21 0.00 0.36 0.00 0.00 54.97 54.84 2ki8 s GLU 27 Cb 0.01 -3.73 0.02 0.00 0.26 0.00 0.00 34.13 30.69 2ki8 s GLU 27 CO -0.02 -0.33 0.67 0.08 -0.54 0.00 0.00 175.26 175.12 2ki8 s VAL 28 N 1.85 4.80 0.32 3.70 1.01 0.13 -0.76 120.40 131.45 2ki8 s VAL 28 Ca 0.09 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.32 2ki8 s VAL 28 Cb -0.16 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 2ki8 s VAL 28 CO 0.11 -0.59 0.50 -0.63 0.00 0.00 0.00 175.10 174.50 2ki8 s ILE 29 N 2.90 5.14 -0.23 2.22 1.01 -0.24 0.58 121.20 132.58 2ki8 s ILE 29 Ca 0.24 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.32 2ki8 s ILE 29 Cb -0.14 -3.86 0.05 0.00 0.01 0.00 0.00 42.46 38.53 2ki8 s ILE 29 CO 0.19 -0.50 -0.10 -0.55 0.00 0.00 0.00 174.94 173.98 2ki8 s SER 30 N -4.01 3.92 -0.21 3.58 0.15 -1.24 -0.80 113.70 115.10 2ki8 s SER 30 Ca 0.39 -1.16 -0.29 0.00 0.70 0.00 0.00 55.95 55.58 2ki8 s SER 30 Cb -0.09 -1.35 -0.01 0.00 -1.71 0.00 0.00 66.02 62.85 2ki8 s SER 30 CO 0.34 -0.18 1.34 -0.83 1.20 0.00 0.00 173.24 175.11 2ki8 s GLY 31 N 1.28 1.51 0.00 9.45 0.00 -0.17 -4.66 107.32 114.73 2ki8 s GLY 31 Ca -0.05 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.04 2ki8 s GLY 31 CO -0.07 2.61 0.59 0.54 0.00 0.00 0.00 173.10 176.78 2ki8 n ARG 32 N 6.98 0.87 -0.23 2.90 5.12 -1.26 -0.77 116.66 130.27 2ki8 n ARG 32 Ca 0.15 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.99 2ki8 n ARG 32 Cb 0.45 -1.27 0.04 0.00 -1.16 0.00 0.00 32.46 30.51 2ki8 n ARG 32 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ki8 h THR 33 N 0.00 1.25 -1.94 0.55 1.03 -1.94 -3.45 112.91 108.41 2ki8 h THR 33 Ca 0.00 -0.85 -0.54 0.00 -0.01 0.00 0.00 66.41 65.01 2ki8 h THR 33 Cb 0.27 0.59 -0.07 0.00 -1.07 0.00 0.00 68.15 67.87 2ki8 h THR 33 CO 0.00 0.33 -0.54 -0.76 -0.01 0.00 0.00 175.52 174.54 2ki8 s LEU 34 N -9.64 3.34 -0.28 0.00 1.02 -1.25 -4.93 118.68 106.95 2ki8 s LEU 34 Ca -0.12 -0.68 -0.03 0.00 0.02 0.00 0.00 54.13 53.31 2ki8 s LEU 34 Cb 0.14 -1.84 0.01 0.00 0.02 0.00 0.00 46.19 44.51 2ki8 s LEU 34 CO 0.82 -0.25 0.06 -3.20 0.02 0.00 0.00 176.35 173.80 2ki8 n ASN 35 N -1.15 -6.25 -0.65 2.29 5.15 -1.26 -4.61 115.26 108.78 2ki8 n ASN 35 Ca -0.04 1.41 0.11 0.00 -0.60 0.00 0.00 54.58 55.47 2ki8 n ASN 35 Cb 0.60 -5.28 0.36 0.00 -0.53 0.00 0.00 39.78 34.94 2ki8 n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ki8 n GLN 36 N 0.96 1.86 0.00 1.20 3.00 -1.26 -4.81 117.38 118.33 2ki8 n GLN 36 Ca -0.10 -1.29 0.00 0.00 -0.01 0.00 0.00 57.00 55.60 2ki8 n GLN 36 Cb 0.16 -1.43 0.00 0.00 0.00 0.00 0.00 30.24 28.97 2ki8 n GLN 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ki8 n GLY 37 N 1.20 0.57 3.01 1.08 0.00 -1.26 -5.17 105.19 104.63 2ki8 n GLY 37 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 2ki8 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ki8 s ALA 38 N -0.24 0.59 0.74 4.61 0.00 -1.26 -5.15 121.76 121.06 2ki8 s ALA 38 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 51.96 51.39 2ki8 s ALA 38 Cb 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.07 2ki8 s ALA 38 CO 0.00 0.10 1.13 -0.08 0.00 0.00 0.00 175.76 176.91 2ki8 s THR 39 N -0.50 2.93 0.55 0.00 -1.32 -1.26 -4.91 115.64 111.12 2ki8 s THR 39 Ca -0.01 0.38 0.22 0.00 -1.21 0.00 0.00 61.69 61.07 2ki8 s THR 39 Cb -0.05 -2.83 0.31 0.00 -1.51 0.00 0.00 72.50 68.42 2ki8 s THR 39 CO 0.00 -0.32 2.17 -0.37 -2.21 0.00 0.00 174.62 173.89 2ki8 h VAL 40 N -0.63 0.80 -0.21 5.08 -1.51 -2.00 -0.54 116.25 117.23 2ki8 h VAL 40 Ca -0.45 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 64.93 2ki8 h VAL 40 Cb 1.25 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 2ki8 h VAL 40 CO 0.51 0.00 -0.22 -0.08 -1.23 0.00 0.00 177.57 176.54 2ki8 h GLU 41 N 0.00 0.39 -0.98 5.19 4.22 -1.96 0.57 114.58 122.01 2ki8 h GLU 41 Ca 0.02 -0.13 0.21 0.00 0.08 0.00 0.00 59.36 59.53 2ki8 h GLU 41 Cb 0.09 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.22 2ki8 h GLU 41 CO -0.00 0.60 0.62 1.49 -2.18 0.00 0.00 179.01 179.53 2ki8 h GLU 42 N 0.35 0.58 0.00 1.92 4.57 -1.44 -3.31 114.58 117.25 2ki8 h GLU 42 Ca 0.06 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2ki8 h GLU 42 Cb 0.59 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2ki8 h GLU 42 CO 0.04 0.38 -0.54 1.63 -1.18 0.00 0.00 179.01 179.34 2ki8 n LYS 43 N -4.66 0.29 0.00 1.92 4.01 -1.10 -5.00 118.16 113.63 2ki8 n LYS 43 Ca 0.22 0.11 0.00 0.00 -0.51 0.00 0.00 58.31 58.14 2ki8 n LYS 43 Cb 0.66 -0.97 0.00 0.00 -0.51 0.00 0.00 35.03 34.21 2ki8 n LYS 43 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2ki8 n LEU 44 N -3.79 0.00 -4.55 -0.35 7.94 0.20 -4.95 117.00 111.50 2ki8 n LEU 44 Ca -0.08 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.47 2ki8 n LEU 44 Cb 0.28 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.32 2ki8 n LEU 44 CO 0.11 0.00 0.33 1.07 -1.11 0.00 0.00 177.39 177.80 2ki8 n THR 45 N 0.00 2.04 0.19 1.96 5.66 -1.26 -4.82 114.28 118.04 2ki8 n THR 45 Ca 0.00 -0.34 0.16 0.00 -3.05 0.00 0.00 64.05 60.82 2ki8 n THR 45 Cb 0.00 -0.93 0.79 0.00 -1.55 0.00 0.00 70.33 68.64 2ki8 n THR 45 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2ki8 h GLU 46 N -0.52 0.00 -0.76 1.09 4.81 -2.01 0.12 114.58 117.31 2ki8 h GLU 46 Ca -0.46 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.86 2ki8 h GLU 46 Cb 1.33 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.66 2ki8 h GLU 46 CO 0.44 0.00 0.50 0.93 -0.73 0.00 0.00 179.01 180.15 2ki8 h GLU 47 N 0.00 0.70 -0.89 1.92 3.07 -1.99 0.44 114.58 117.83 2ki8 h GLU 47 Ca 0.09 -0.04 0.02 0.00 -0.50 0.00 0.00 59.36 58.93 2ki8 h GLU 47 Cb 0.46 -0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 28.17 2ki8 h GLU 47 CO -0.00 0.46 0.58 -0.92 -1.40 0.00 0.00 179.01 177.74 2ki8 h TYR 48 N 0.72 1.11 0.41 4.33 5.03 -1.07 -1.68 116.97 125.81 2ki8 h TYR 48 Ca 0.34 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.66 2ki8 h TYR 48 Cb 0.40 -0.37 0.00 0.00 1.55 0.00 0.00 36.73 38.31 2ki8 h TYR 48 CO -0.00 0.68 -0.19 0.35 -1.32 0.00 0.00 178.16 177.67 2ki8 h PHE 49 N 1.18 -0.50 -0.03 -3.82 3.04 -1.01 -2.94 116.94 112.85 2ki8 h PHE 49 Ca 0.33 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.28 2ki8 h PHE 49 Cb -0.10 0.17 -0.00 0.00 2.56 0.00 0.00 35.95 38.58 2ki8 h PHE 49 CO -0.01 -0.31 0.11 -0.91 -2.02 0.00 0.00 178.31 175.16 2ki8 h ASN 50 N -0.63 0.00 0.78 0.41 2.35 -1.15 -1.06 115.58 116.28 2ki8 h ASN 50 Ca -0.06 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.45 2ki8 h ASN 50 Cb 0.42 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 2ki8 h ASN 50 CO 0.09 0.00 -1.19 0.00 -1.65 0.00 0.00 177.43 174.68 2ki8 h ALA 51 N 1.82 0.29 -0.06 -0.83 0.00 -1.28 -3.38 119.26 115.83 2ki8 h ALA 51 Ca 0.01 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2ki8 h ALA 51 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2ki8 h ALA 51 CO -0.00 1.18 0.00 1.33 0.00 0.00 0.00 179.25 181.76 2ki8 n VAL 52 N -3.39 0.49 -0.59 0.00 0.24 -0.76 -4.71 118.33 109.61 2ki8 n VAL 52 Ca -0.06 -0.74 -0.14 0.00 -2.04 0.00 0.00 64.34 61.36 2ki8 n VAL 52 Cb 0.99 0.80 0.16 0.00 -1.47 0.00 0.00 33.84 34.31 2ki8 n VAL 52 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2ki8 n ASN 53 N 0.03 3.70 -3.89 -1.34 5.03 -0.47 -4.78 115.26 113.54 2ki8 n ASN 53 Ca 0.03 -3.09 -0.11 0.00 0.87 0.00 0.00 54.58 52.28 2ki8 n ASN 53 Cb 0.20 -0.73 -0.10 0.00 -1.02 0.00 0.00 39.78 38.13 2ki8 n ASN 53 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2ki8 s TYR 54 N -2.39 0.09 -0.02 3.10 1.13 -1.26 -0.63 117.35 117.37 2ki8 s TYR 54 Ca 0.41 -0.26 0.06 0.00 -1.41 0.00 0.00 57.07 55.88 2ki8 s TYR 54 Cb 0.34 -0.08 -0.01 0.00 -1.10 0.00 0.00 41.96 41.11 2ki8 s TYR 54 CO 0.09 -0.32 -0.20 0.00 -2.51 0.00 0.00 175.55 172.61 2ki8 s ALA 55 N -1.80 1.64 -0.38 9.51 0.00 -0.43 -4.40 121.76 125.90 2ki8 s ALA 55 Ca -0.12 -0.84 -0.17 0.00 0.00 0.00 0.00 51.96 50.83 2ki8 s ALA 55 Cb -0.06 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.64 2ki8 s ALA 55 CO -0.01 0.39 0.46 -1.21 0.00 0.00 0.00 175.76 175.40 2ki8 s GLU 56 N -0.42 3.38 0.02 0.00 2.02 0.25 -0.74 118.70 123.20 2ki8 s GLU 56 Ca 0.07 -0.47 0.03 0.00 0.02 0.00 0.00 54.97 54.62 2ki8 s GLU 56 Cb -0.08 -3.88 -0.04 0.00 0.10 0.00 0.00 34.13 30.23 2ki8 s GLU 56 CO -0.00 -0.73 -0.02 0.42 0.02 0.00 0.00 175.26 174.94 2ki8 s ILE 57 N 2.26 3.94 0.68 -1.63 1.09 0.11 -1.54 121.20 126.11 2ki8 s ILE 57 Ca 0.15 -0.75 -0.17 0.00 -1.10 0.00 0.00 60.65 58.78 2ki8 s ILE 57 Cb -0.16 -2.77 0.01 0.00 -1.06 0.00 0.00 42.46 38.48 2ki8 s ILE 57 CO 0.14 0.33 1.24 0.21 -0.10 0.00 0.00 174.94 176.76 2ki8 s ASN 58 N -1.67 4.47 0.11 3.58 3.84 -1.26 -0.52 114.94 123.50 2ki8 s ASN 58 Ca 0.20 2.47 -0.25 0.00 0.21 0.00 0.00 52.86 55.49 2ki8 s ASN 58 Cb -0.11 -2.60 -0.07 0.00 -0.55 0.00 0.00 41.25 37.91 2ki8 s ASN 58 CO 0.11 -2.09 1.66 -0.08 -2.79 0.00 0.00 177.10 173.91 2ki8 h GLU 59 N 0.19 -0.31 0.05 0.43 4.22 -1.86 0.76 114.58 118.07 2ki8 h GLU 59 Ca -0.49 0.02 0.02 0.00 0.08 0.00 0.00 59.36 58.99 2ki8 h GLU 59 Cb 1.31 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.60 2ki8 h GLU 59 CO 0.52 -0.21 -0.20 0.93 -2.18 0.00 0.00 179.01 177.87 2ki8 h GLU 60 N -0.32 -0.34 -0.56 1.92 5.08 -1.96 -2.35 114.58 116.05 2ki8 h GLU 60 Ca 0.05 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2ki8 h GLU 60 Cb 0.38 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2ki8 h GLU 60 CO -0.15 -0.22 0.31 -0.44 -1.00 0.00 0.00 179.01 177.50 2ki8 h ASP 61 N -0.35 0.68 -0.11 1.42 5.19 -1.91 -1.19 116.42 120.16 2ki8 h ASP 61 Ca 0.04 -0.05 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 2ki8 h ASP 61 Cb 0.40 -0.17 -0.06 0.00 0.18 0.00 0.00 39.33 39.68 2ki8 h ASP 61 CO -0.15 0.55 -0.26 -0.25 -3.12 0.00 0.00 179.24 176.01 2ki8 h TRP 62 N 0.78 -0.69 -0.00 4.55 2.91 -0.40 -2.00 115.95 121.09 2ki8 h TRP 62 Ca 0.20 0.03 -0.14 0.00 1.13 0.00 0.00 58.89 60.11 2ki8 h TRP 62 Cb 0.02 0.32 -0.02 0.00 -0.51 0.00 0.00 29.16 28.97 2ki8 h TRP 62 CO 0.00 -0.34 -0.68 -0.91 -1.03 0.00 0.00 178.44 175.49 2ki8 h ASN 63 N -0.34 0.01 -0.56 2.65 2.35 -1.14 -1.05 115.58 117.51 2ki8 h ASN 63 Ca 0.09 -0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.87 2ki8 h ASN 63 Cb 0.48 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 2ki8 h ASN 63 CO -0.30 0.69 0.37 0.00 -1.65 0.00 0.00 177.43 176.54 2ki8 h ALA 64 N 1.31 1.75 0.00 -0.83 0.00 -0.77 -0.55 119.26 120.16 2ki8 h ALA 64 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ki8 h ALA 64 Cb 1.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2ki8 h ALA 64 CO 0.09 0.18 -0.67 1.28 0.00 0.00 0.00 179.25 180.14 2ki8 n LEU 65 N -4.47 0.64 -1.33 0.00 4.77 -0.79 -4.98 117.00 110.83 2ki8 n LEU 65 Ca 0.07 0.14 -0.04 0.00 -0.03 0.00 0.00 56.01 56.15 2ki8 n LEU 65 Cb 0.16 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.09 2ki8 n LEU 65 CO 0.35 -0.00 0.04 0.61 -1.33 0.00 0.00 177.39 177.05 2ki8 n GLY 66 N 1.38 0.46 3.85 -0.72 0.00 -0.22 -4.79 105.19 105.15 2ki8 n GLY 66 Ca 0.03 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 2ki8 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ki8 s LEU 67 N -2.63 4.05 0.03 0.99 1.43 -0.45 -5.01 118.68 117.09 2ki8 s LEU 67 Ca 0.07 1.33 0.06 0.00 -1.03 0.00 0.00 54.13 54.55 2ki8 s LEU 67 Cb -0.03 -4.13 -0.03 0.00 0.03 0.00 0.00 46.19 42.02 2ki8 s LEU 67 CO 0.16 -0.22 -0.15 -1.58 0.23 0.00 0.00 176.35 174.79 2ki8 s GLN 68 N -3.00 2.21 -0.70 1.70 0.74 -1.26 -4.78 119.66 114.56 2ki8 s GLN 68 Ca 0.55 -0.91 -0.26 0.00 0.05 0.00 0.00 55.36 54.79 2ki8 s GLN 68 Cb -0.10 -2.28 -0.11 0.00 1.10 0.00 0.00 33.01 31.62 2ki8 s GLN 68 CO 0.17 0.56 2.35 -1.21 -0.55 0.00 0.00 175.29 176.61 2ki8 s GLU 69 N -1.45 1.86 0.00 1.67 2.02 -1.26 -0.71 118.70 120.83 2ki8 s GLU 69 Ca 0.15 0.70 0.00 0.00 0.02 0.00 0.00 54.97 55.85 2ki8 s GLU 69 Cb -0.11 -4.73 0.00 0.00 0.10 0.00 0.00 34.13 29.39 2ki8 s GLU 69 CO 0.06 -3.96 0.00 0.41 0.02 0.00 0.00 175.26 171.79 2ki8 n GLY 70 N 6.54 0.30 3.57 -1.39 0.00 -1.24 -5.10 105.19 107.87 2ki8 n GLY 70 Ca 0.42 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 2ki8 n GLY 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ki8 s ASP 71 N -0.22 0.68 -0.05 1.61 1.01 0.12 -4.67 116.67 115.14 2ki8 s ASP 71 Ca 0.00 0.60 0.03 0.00 0.71 0.00 0.00 52.55 53.89 2ki8 s ASP 71 Cb 0.00 -0.81 -0.03 0.00 1.01 0.00 0.00 42.92 43.10 2ki8 s ASP 71 CO 0.00 -4.27 -0.13 -0.13 0.21 0.00 0.00 175.17 170.85 2ki8 s ARG 72 N -5.43 2.57 -0.02 8.23 0.52 -1.26 -0.34 118.95 123.22 2ki8 s ARG 72 Ca 0.71 -0.67 0.06 0.00 -0.52 0.00 0.00 55.73 55.31 2ki8 s ARG 72 Cb -0.09 -2.42 -0.01 0.00 0.52 0.00 0.00 34.95 32.95 2ki8 s ARG 72 CO 0.56 0.62 -0.19 0.14 0.02 0.00 0.00 175.30 176.44 2ki8 s VAL 73 N -0.70 1.50 -0.08 3.52 -7.23 0.16 -3.25 120.40 114.32 2ki8 s VAL 73 Ca 0.11 -0.81 -0.19 0.00 -1.81 0.00 0.00 61.98 59.27 2ki8 s VAL 73 Cb -0.11 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 2ki8 s VAL 73 CO 0.01 0.43 0.54 -0.75 -0.31 0.00 0.00 175.10 175.01 2ki8 s LYS 74 N -0.41 4.34 -0.14 4.82 2.47 0.13 -1.77 119.74 129.18 2ki8 s LYS 74 Ca 0.06 0.58 0.02 0.00 -1.56 0.00 0.00 55.97 55.08 2ki8 s LYS 74 Cb -0.08 -3.41 0.01 0.00 -1.46 0.00 0.00 37.83 32.89 2ki8 s LYS 74 CO -0.00 0.20 -0.21 0.08 0.16 0.00 0.00 175.35 175.57 2ki8 s VAL 75 N 0.44 2.14 -0.04 4.02 1.01 0.12 -1.54 120.40 126.55 2ki8 s VAL 75 Ca 0.29 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2ki8 s VAL 75 Cb -0.16 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.38 2ki8 s VAL 75 CO 0.13 0.55 -0.06 -0.54 0.00 0.00 0.00 175.10 175.18 2ki8 s LYS 76 N 0.75 0.86 0.21 2.72 1.02 -0.33 -1.30 119.74 123.68 2ki8 s LYS 76 Ca -0.08 -0.16 0.05 0.00 0.02 0.00 0.00 55.97 55.80 2ki8 s LYS 76 Cb -0.16 -0.84 -0.02 0.00 -0.52 0.00 0.00 37.83 36.30 2ki8 s LYS 76 CO -0.00 -0.03 0.18 0.25 -0.92 0.00 0.00 175.35 174.83 2ki8 n THR 77 N 3.81 0.00 0.46 2.17 -2.24 -0.11 -0.44 114.28 117.93 2ki8 n THR 77 Ca -0.23 -1.55 0.08 0.00 -2.27 0.00 0.00 64.05 60.08 2ki8 n THR 77 Cb 0.52 0.78 0.36 0.00 -2.10 0.00 0.00 70.33 69.89 2ki8 n THR 77 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2ki8 n GLU 78 N -0.40 0.06 0.01 -0.78 0.28 -1.26 -2.85 120.64 115.70 2ki8 n GLU 78 Ca 0.05 0.31 -0.22 0.00 -0.16 0.00 0.00 57.16 57.14 2ki8 n GLU 78 Cb 0.39 -1.61 -0.14 0.00 1.43 0.00 0.00 31.44 31.50 2ki8 n GLU 78 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 2ki8 h PHE 79 N 0.00 0.51 0.00 -1.84 -1.00 -1.83 -3.51 116.94 109.27 2ki8 h PHE 79 Ca 0.00 -0.37 0.00 0.00 2.81 0.00 0.00 57.97 60.41 2ki8 h PHE 79 Cb 0.28 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.82 2ki8 h PHE 79 CO 0.00 1.76 0.00 0.41 -1.61 0.00 0.00 178.31 178.87 2ki8 n GLY 80 N 1.95 -0.71 3.36 -1.45 0.00 -0.78 -4.87 105.19 102.69 2ki8 n GLY 80 Ca -0.31 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 2ki8 n GLY 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ki8 s GLU 81 N -0.89 0.98 0.05 1.61 -1.05 -1.23 -0.93 118.70 117.23 2ki8 s GLU 81 Ca 0.00 -0.27 -0.13 0.00 -0.15 0.00 0.00 54.97 54.42 2ki8 s GLU 81 Cb 0.00 0.44 0.02 0.00 -0.44 0.00 0.00 34.13 34.15 2ki8 s GLU 81 CO 0.00 -0.34 0.29 0.54 0.95 0.00 0.00 175.26 176.69 2ki8 s VAL 82 N -2.38 0.09 -0.23 1.83 0.11 -0.42 -4.86 120.40 114.54 2ki8 s VAL 82 Ca -0.06 -0.73 -0.01 0.00 -2.93 0.00 0.00 61.98 58.25 2ki8 s VAL 82 Cb -0.01 -0.96 0.02 0.00 -1.53 0.00 0.00 36.38 33.90 2ki8 s VAL 82 CO -0.01 -0.40 -0.09 -0.69 -3.33 0.00 0.00 175.10 170.57 2ki8 s VAL 83 N -2.67 2.76 0.42 2.04 1.01 -1.26 -0.70 120.40 122.00 2ki8 s VAL 83 Ca -0.04 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.04 2ki8 s VAL 83 Cb -0.00 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 2ki8 s VAL 83 CO -0.04 0.31 0.08 0.68 0.00 0.00 0.00 175.10 176.12 2ki8 s VAL 84 N 1.34 0.93 0.66 2.92 -7.23 -0.73 -2.30 120.40 115.99 2ki8 s VAL 84 Ca 0.02 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.08 2ki8 s VAL 84 Cb -0.16 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.36 2ki8 s VAL 84 CO -0.06 0.00 1.05 -0.36 -0.31 0.00 0.00 175.10 175.42 2ki8 s PHE 85 N -3.11 3.36 -0.21 2.82 0.08 0.19 -0.67 117.98 120.46 2ki8 s PHE 85 Ca 0.22 1.33 -0.08 0.00 0.12 0.00 0.00 56.93 58.51 2ki8 s PHE 85 Cb 0.04 -2.82 -0.04 0.00 -0.57 0.00 0.00 43.02 39.63 2ki8 s PHE 85 CO 0.12 -0.99 0.09 0.00 -0.10 0.00 0.00 175.22 174.34 2ki8 s ALA 86 N -3.13 3.42 -0.06 5.36 0.00 0.54 -1.31 121.76 126.58 2ki8 s ALA 86 Ca 0.57 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.70 2ki8 s ALA 86 Cb -0.12 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 20.97 2ki8 s ALA 86 CO 0.54 -0.02 -0.09 0.15 0.00 0.00 0.00 175.76 176.35 2ki8 s LYS 87 N 0.73 1.31 -0.78 0.00 -0.14 0.09 -3.65 119.74 117.30 2ki8 s LYS 87 Ca 0.05 -0.28 -0.26 0.00 -1.36 0.00 0.00 55.97 54.12 2ki8 s LYS 87 Cb -0.13 -1.16 0.03 0.00 -1.68 0.00 0.00 37.83 34.90 2ki8 s LYS 87 CO 0.02 -0.02 1.31 0.21 -0.76 0.00 0.00 175.35 176.10 2ki8 s LYS 88 N 0.79 3.24 0.32 1.68 2.20 -1.26 0.05 119.74 126.76 2ki8 s LYS 88 Ca -0.13 -0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.16 2ki8 s LYS 88 Cb -0.15 -4.34 -0.03 0.00 -1.51 0.00 0.00 37.83 31.80 2ki8 s LYS 88 CO 0.02 -2.17 0.50 0.20 -0.36 0.00 0.00 175.35 173.54 2ki8 s GLY 89 N 3.96 1.35 -0.05 5.54 0.00 0.32 -4.86 107.32 113.58 2ki8 s GLY 89 Ca 0.37 -1.08 0.07 0.00 0.00 0.00 0.00 44.72 44.08 2ki8 s GLY 89 CO 0.12 -1.03 1.09 2.09 0.00 0.00 0.00 173.10 175.37 2ki8 n ASP 90 N -1.69 2.21 -4.78 1.64 5.75 -1.26 -4.15 116.55 114.27 2ki8 n ASP 90 Ca -0.05 -2.19 -0.32 0.00 -0.01 0.00 0.00 54.79 52.22 2ki8 n ASP 90 Cb 0.57 -0.39 0.06 0.00 -1.03 0.00 0.00 41.12 40.32 2ki8 n ASP 90 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 2ki8 s VAL 91 N -1.65 3.46 0.83 2.12 -7.23 -1.26 -5.02 120.40 111.65 2ki8 s VAL 91 Ca 0.20 0.58 -0.12 0.00 -1.81 0.00 0.00 61.98 60.83 2ki8 s VAL 91 Cb 0.13 -3.12 0.10 0.00 0.56 0.00 0.00 36.38 34.05 2ki8 s VAL 91 CO 0.09 -0.52 1.17 -2.84 -0.31 0.00 0.00 175.10 172.70 2ki8 s PRO 92 N -4.50 1.52 0.51 4.82 0.02 -1.26 -4.41 135.00 131.70 2ki8 s PRO 92 Ca 0.63 1.62 -0.23 0.00 0.02 0.00 0.00 61.00 63.05 2ki8 s PRO 92 Cb -0.18 -1.78 -0.06 0.00 0.02 0.00 0.00 34.50 32.51 2ki8 s PRO 92 CO 0.48 -2.27 1.33 0.21 -0.33 0.00 0.00 177.00 176.41 2ki8 s LYS 93 N -4.38 3.38 -1.52 5.54 2.20 -1.26 -2.50 119.74 121.20 2ki8 s LYS 93 Ca 0.70 2.17 -0.02 0.00 -0.36 0.00 0.00 55.97 58.46 2ki8 s LYS 93 Cb -0.25 -2.37 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 2ki8 s LYS 93 CO 0.53 -0.98 0.26 0.41 -0.36 0.00 0.00 175.35 175.21 2ki8 n GLY 94 N 0.65 -0.41 3.39 5.54 0.00 -1.26 -4.99 105.19 108.11 2ki8 n GLY 94 Ca 0.09 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 2ki8 n GLY 94 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ki8 s MET 95 N -5.25 0.55 0.05 1.61 0.00 -1.04 -2.05 119.30 113.17 2ki8 s MET 95 Ca 0.13 0.77 0.03 0.00 0.00 0.00 0.00 55.69 56.61 2ki8 s MET 95 Cb -0.06 0.20 -0.03 0.00 0.00 0.00 0.00 34.83 34.94 2ki8 s MET 95 CO 0.16 -0.10 -0.09 0.96 0.00 0.00 0.00 175.02 175.95 2ki8 s ILE 96 N 0.66 0.68 -0.13 10.11 -4.36 0.06 -4.00 121.20 124.21 2ki8 s ILE 96 Ca -0.03 -1.20 -0.01 0.00 -0.26 0.00 0.00 60.65 59.14 2ki8 s ILE 96 Cb -0.05 -0.80 -0.02 0.00 1.25 0.00 0.00 42.46 42.84 2ki8 s ILE 96 CO -0.04 -0.39 -0.10 0.12 0.24 0.00 0.00 174.94 174.77 2ki8 s PHE 97 N -1.55 2.89 -0.07 1.37 2.19 -0.59 -1.08 117.98 121.14 2ki8 s PHE 97 Ca -0.06 -0.47 0.02 0.00 0.33 0.00 0.00 56.93 56.75 2ki8 s PHE 97 Cb -0.09 -1.87 0.02 0.00 -1.31 0.00 0.00 43.02 39.77 2ki8 s PHE 97 CO 0.00 -0.10 -0.10 0.42 1.83 0.00 0.00 175.22 177.27 2ki8 s ILE 98 N 0.25 0.96 0.37 3.12 1.01 0.02 -0.59 121.20 126.34 2ki8 s ILE 98 Ca -0.07 -0.36 -0.27 0.00 0.00 0.00 0.00 60.65 59.95 2ki8 s ILE 98 Cb -0.15 -0.92 -0.11 0.00 0.01 0.00 0.00 42.46 41.29 2ki8 s ILE 98 CO 0.04 0.32 1.31 -2.65 0.00 0.00 0.00 174.94 173.97 2ki8 n PRO 99 N 4.03 2.15 -1.58 2.79 -0.02 -1.26 -1.00 135.00 140.11 2ki8 n PRO 99 Ca -0.22 0.76 -0.40 0.00 -2.02 0.00 0.00 63.50 61.62 2ki8 n PRO 99 Cb 0.51 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 2ki8 n PRO 99 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2ki8 s MET 100 N -1.99 2.68 0.19 -0.52 1.75 0.05 -4.46 119.30 117.00 2ki8 s MET 100 Ca 0.56 1.78 -0.06 0.00 -1.25 0.00 0.00 55.69 56.72 2ki8 s MET 100 Cb -0.54 -4.47 0.02 0.00 2.84 0.00 0.00 34.83 32.69 2ki8 s MET 100 CO 0.61 -2.62 0.35 0.41 -0.65 0.00 0.00 175.02 173.13 2ki8 n GLY 101 N 5.88 1.72 0.27 2.11 0.00 -1.26 -4.34 105.19 109.56 2ki8 n GLY 101 Ca 0.33 -1.19 0.12 0.00 0.00 0.00 0.00 46.02 45.27 2ki8 n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ki8 h PRO 102 N 0.00 0.00 0.19 1.61 0.13 -1.93 0.16 132.00 132.16 2ki8 h PRO 102 Ca -0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 2ki8 h PRO 102 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 2ki8 h PRO 102 CO 0.20 0.06 -0.09 1.88 -0.23 0.00 0.00 178.00 179.82 2ki8 h TYR 103 N 0.00 -0.24 -0.98 1.56 -1.99 -1.90 -2.83 116.97 110.59 2ki8 h TYR 103 Ca -0.00 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.73 2ki8 h TYR 103 Cb 0.13 0.08 -0.05 0.00 2.00 0.00 0.00 36.73 38.89 2ki8 h TYR 103 CO 0.00 0.15 0.65 0.00 -0.00 0.00 0.00 178.16 178.96 2ki8 h ALA 104 N -0.06 1.29 -0.31 3.88 0.00 -1.68 -2.28 119.26 120.10 2ki8 h ALA 104 Ca -0.03 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.90 2ki8 h ALA 104 Cb 0.50 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2ki8 h ALA 104 CO 0.04 0.66 0.33 -0.97 0.00 0.00 0.00 179.25 179.31 2ki8 h ASN 105 N 1.34 0.00 0.35 0.00 -1.24 -0.64 0.47 115.58 115.85 2ki8 h ASN 105 Ca 0.36 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.29 2ki8 h ASN 105 Cb -0.15 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 2ki8 h ASN 105 CO -0.08 0.00 -0.36 0.24 -1.29 0.00 0.00 177.43 175.94 2ki8 h MET 106 N 0.00 0.02 0.00 6.67 2.86 -1.15 -3.35 114.93 119.98 2ki8 h MET 106 Ca 0.15 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2ki8 h MET 106 Cb 0.81 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.47 2ki8 h MET 106 CO -0.00 0.38 -0.36 1.33 1.06 0.00 0.00 176.91 179.32 2ki8 n VAL 107 N -4.11 0.00 -3.26 -2.22 0.24 0.30 -1.86 118.33 107.42 2ki8 n VAL 107 Ca -0.02 -0.27 -0.19 0.00 -2.04 0.00 0.00 64.34 61.82 2ki8 n VAL 107 Cb 0.40 0.78 0.05 0.00 -1.47 0.00 0.00 33.84 33.59 2ki8 n VAL 107 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2ki8 n ILE 108 N -1.08 0.00 -3.65 1.34 -5.35 0.14 -4.59 119.36 106.18 2ki8 n ILE 108 Ca 0.00 -1.84 -0.39 0.00 -0.27 0.00 0.00 62.75 60.25 2ki8 n ILE 108 Cb 0.00 -0.42 -0.10 0.00 -1.74 0.00 0.00 39.64 37.38 2ki8 n ILE 108 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2ki8 s ASP 109 N -4.22 5.52 0.00 7.28 2.15 -1.26 -4.84 116.67 121.30 2ki8 s ASP 109 Ca 0.49 -1.97 0.23 0.00 0.43 0.00 0.00 52.55 51.74 2ki8 s ASP 109 Cb -0.04 -1.93 1.29 0.00 -0.30 0.00 0.00 42.92 41.94 2ki8 s ASP 109 CO 0.31 -0.63 1.77 -0.81 -0.17 0.00 0.00 175.17 175.64 2ki8 n PRO 110 N 4.78 0.53 0.20 4.34 -0.04 -1.26 -3.17 135.00 140.38 2ki8 n PRO 110 Ca -0.05 0.04 0.05 0.00 -0.04 0.00 0.00 63.50 63.49 2ki8 n PRO 110 Cb 0.41 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.80 2ki8 n PRO 110 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2ki8 h SER 111 N 0.00 0.00 -2.52 3.54 0.87 -2.02 -3.44 113.55 109.98 2ki8 h SER 111 Ca 0.00 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.02 2ki8 h SER 111 Cb 0.11 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.02 2ki8 h SER 111 CO 0.00 0.32 -0.53 0.28 -0.53 0.00 0.00 176.83 176.37 2ki8 s THR 112 N -4.08 4.71 0.41 2.23 -1.32 -1.19 -5.14 115.64 111.26 2ki8 s THR 112 Ca -0.02 -1.06 0.04 0.00 -1.21 0.00 0.00 61.69 59.44 2ki8 s THR 112 Cb 0.13 -3.45 0.04 0.00 -1.51 0.00 0.00 72.50 67.71 2ki8 s THR 112 CO 0.69 -0.18 0.35 0.47 -2.21 0.00 0.00 174.62 173.74 2ki8 n ASP 113 N -0.66 2.19 -2.55 8.08 9.92 -1.26 -5.01 116.55 127.26 2ki8 n ASP 113 Ca -0.08 -2.36 -0.22 0.00 -0.53 0.00 0.00 54.79 51.60 2ki8 n ASP 113 Cb 0.55 -0.07 -0.11 0.00 -0.64 0.00 0.00 41.12 40.86 2ki8 n ASP 113 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ki8 n GLY 114 N 0.05 3.38 3.52 0.44 0.00 -1.26 -4.88 105.19 106.44 2ki8 n GLY 114 Ca 0.00 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 2ki8 n GLY 114 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ki8 s THR 115 N 1.63 4.30 0.00 2.61 -4.23 -1.26 -4.62 115.64 114.07 2ki8 s THR 115 Ca 0.64 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 61.41 2ki8 s THR 115 Cb 0.25 -4.60 0.00 0.00 1.34 0.00 0.00 72.50 69.48 2ki8 s THR 115 CO -0.02 -1.24 0.00 0.61 -0.54 0.00 0.00 174.62 173.43 2ki8 n GLY 116 N 5.16 0.84 3.81 3.99 0.00 -1.26 -5.09 105.19 112.64 2ki8 n GLY 116 Ca 0.02 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 2ki8 n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ki8 s MET 117 N 0.00 4.27 -0.71 1.61 -1.94 -1.26 -4.93 119.30 116.34 2ki8 s MET 117 Ca 0.00 0.85 -0.19 0.00 -1.71 0.00 0.00 55.69 54.63 2ki8 s MET 117 Cb 0.00 -3.04 -0.18 0.00 2.01 0.00 0.00 34.83 33.62 2ki8 s MET 117 CO 0.00 0.49 1.75 -2.30 -0.01 0.00 0.00 175.02 174.95 2ki8 n PRO 118 N 1.12 0.06 -2.34 2.03 -0.02 -1.26 -2.87 135.00 131.72 2ki8 n PRO 118 Ca -0.05 -1.17 -0.19 0.00 -2.02 0.00 0.00 63.50 60.07 2ki8 n PRO 118 Cb 0.51 -3.01 -0.02 0.00 -0.02 0.00 0.00 33.50 30.96 2ki8 n PRO 118 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2ki8 n GLN 119 N 7.05 -1.75 -3.63 -0.52 7.27 -1.26 -4.98 117.38 119.57 2ki8 n GLN 119 Ca 0.30 0.96 -0.35 0.00 0.07 0.00 0.00 57.00 57.98 2ki8 n GLN 119 Cb 0.47 -5.59 -0.05 0.00 2.41 0.00 0.00 30.24 27.48 2ki8 n GLN 119 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 2ki8 s PHE 120 N -2.94 3.58 0.34 3.69 0.40 -1.14 -4.94 117.98 116.98 2ki8 s PHE 120 Ca 0.00 0.73 0.00 0.00 -0.60 0.00 0.00 56.93 57.06 2ki8 s PHE 120 Cb 0.00 -2.11 0.00 0.00 0.51 0.00 0.00 43.02 41.42 2ki8 s PHE 120 CO 0.00 0.55 0.00 1.63 0.70 0.00 0.00 175.22 178.10 2ki8 n LYS 121 N 0.97 -3.13 0.00 0.44 5.02 -1.26 -4.79 118.16 115.40 2ki8 n LYS 121 Ca -0.09 2.33 0.00 0.00 -2.02 0.00 0.00 58.31 58.53 2ki8 n LYS 121 Cb 0.52 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.92 2ki8 n LYS 121 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ki8 n GLY 122 N -0.80 5.74 3.63 0.72 0.00 -1.26 -4.83 105.19 108.40 2ki8 n GLY 122 Ca 0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 2ki8 n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ki8 s VAL 123 N 0.14 4.82 0.54 1.61 1.01 0.20 -4.71 120.40 124.01 2ki8 s VAL 123 Ca 0.00 1.47 -0.20 0.00 0.00 0.00 0.00 61.98 63.25 2ki8 s VAL 123 Cb 0.00 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2ki8 s VAL 123 CO 0.00 -0.13 1.18 -0.54 0.00 0.00 0.00 175.10 175.61 2ki8 s LYS 124 N 2.89 3.30 0.00 2.72 1.02 -1.26 0.20 119.74 128.61 2ki8 s LYS 124 Ca 0.34 1.77 0.00 0.00 0.02 0.00 0.00 55.97 58.11 2ki8 s LYS 124 Cb -0.15 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 2ki8 s LYS 124 CO 0.09 -0.93 0.00 0.41 -0.92 0.00 0.00 175.35 174.00 2ki8 n GLY 125 N 0.39 1.29 3.10 -3.33 0.00 0.11 -4.66 105.19 102.10 2ki8 n GLY 125 Ca 0.11 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 2ki8 n GLY 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ki8 s THR 126 N 0.21 0.30 -0.03 2.61 -4.23 0.42 -0.77 115.64 114.14 2ki8 s THR 126 Ca 0.00 -1.83 -0.07 0.00 -1.18 0.00 0.00 61.69 58.61 2ki8 s THR 126 Cb 0.00 -1.54 0.01 0.00 1.34 0.00 0.00 72.50 72.31 2ki8 s THR 126 CO 0.00 -0.98 0.16 0.54 -0.54 0.00 0.00 174.62 173.81 2ki8 s VAL 127 N -3.87 0.04 0.15 2.29 0.11 -0.06 -1.18 120.40 117.89 2ki8 s VAL 127 Ca 0.08 -0.34 -0.18 0.00 -2.93 0.00 0.00 61.98 58.61 2ki8 s VAL 127 Cb 0.08 -0.35 0.04 0.00 -1.53 0.00 0.00 36.38 34.61 2ki8 s VAL 127 CO -0.09 -0.19 0.48 -1.83 -3.33 0.00 0.00 175.10 170.14 2ki8 s GLU 128 N -0.65 1.21 0.03 1.54 -1.05 -0.59 -0.64 118.70 118.55 2ki8 s GLU 128 Ca -0.07 -0.71 -0.30 0.00 -0.15 0.00 0.00 54.97 53.74 2ki8 s GLU 128 Cb -0.04 0.51 -0.04 0.00 -0.44 0.00 0.00 34.13 34.12 2ki8 s GLU 128 CO 0.01 -0.50 0.98 0.21 0.95 0.00 0.00 175.26 176.91 2ki8 s LYS 129 N -3.82 4.59 0.22 -4.83 2.20 -1.26 0.22 119.74 117.07 2ki8 s LYS 129 Ca 0.05 1.43 0.11 0.00 -0.36 0.00 0.00 55.97 57.20 2ki8 s LYS 129 Cb 0.00 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 2ki8 s LYS 129 CO -0.09 0.01 -0.17 -0.08 -0.36 0.00 0.00 175.35 174.66 2ki8 s THR 130 N 0.76 2.69 -0.76 3.43 -1.32 -1.20 -4.85 115.64 114.39 2ki8 s THR 130 Ca 0.51 -2.03 0.24 0.00 -1.21 0.00 0.00 61.69 59.21 2ki8 s THR 130 Cb -0.22 -2.35 0.24 0.00 -1.51 0.00 0.00 72.50 68.67 2ki8 s THR 130 CO 0.28 -0.21 1.75 0.47 -2.21 0.00 0.00 174.62 174.71 2ki8 n ASP 131 N -0.12 0.49 -4.77 8.08 8.00 -1.26 -4.85 116.55 122.11 2ki8 n ASP 131 Ca -0.10 0.57 -0.36 0.00 0.71 0.00 0.00 54.79 55.61 2ki8 n ASP 131 Cb 0.57 -0.69 -0.01 0.00 -0.02 0.00 0.00 41.12 40.97 2ki8 n ASP 131 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2ki8 s GLU 132 N -3.12 3.63 0.61 -1.24 0.41 -1.26 -5.05 118.70 112.68 2ki8 s GLU 132 Ca 0.09 1.70 -0.13 0.00 -0.41 0.00 0.00 54.97 56.22 2ki8 s GLU 132 Cb 0.13 -2.27 -0.04 0.00 -1.78 0.00 0.00 34.13 30.17 2ki8 s GLU 132 CO 0.48 -0.64 1.03 -1.59 -0.49 0.00 0.00 175.26 174.06 2ki8 s LYS 133 N -2.90 3.44 0.13 1.61 0.00 -1.26 -4.92 119.74 115.84 2ki8 s LYS 133 Ca 0.67 0.96 -0.31 0.00 0.00 0.00 0.00 55.97 57.29 2ki8 s LYS 133 Cb -0.27 -2.06 -0.08 0.00 0.00 0.00 0.00 37.83 35.42 2ki8 s LYS 133 CO 0.31 -0.69 1.42 0.08 0.00 0.00 0.00 175.35 176.47 2ki8 s VAL 134 N -2.83 3.17 -0.06 1.79 1.01 -1.26 -4.78 120.40 117.44 2ki8 s VAL 134 Ca 0.59 0.85 -0.30 0.00 0.00 0.00 0.00 61.98 63.12 2ki8 s VAL 134 Cb -0.13 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 2ki8 s VAL 134 CO 0.44 0.07 1.70 -0.76 0.00 0.00 0.00 175.10 176.55 2ki8 s LEU 135 N 1.03 4.29 0.54 3.92 1.43 -0.97 -5.00 118.68 123.92 2ki8 s LEU 135 Ca 0.65 2.23 -0.20 0.00 -1.03 0.00 0.00 54.13 55.78 2ki8 s LEU 135 Cb -0.38 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.26 2ki8 s LEU 135 CO 0.31 -0.98 1.21 -0.55 0.23 0.00 0.00 176.35 176.57 2ki8 s SER 136 N 3.62 5.53 0.33 2.29 0.15 -1.26 -4.78 113.70 119.58 2ki8 s SER 136 Ca 0.75 2.40 0.12 0.00 0.70 0.00 0.00 55.95 59.92 2ki8 s SER 136 Cb -0.34 -2.60 0.99 0.00 -1.71 0.00 0.00 66.02 62.36 2ki8 s SER 136 CO 0.31 -1.36 1.69 0.58 1.20 0.00 0.00 173.24 175.66 2ki8 h VAL 137 N 1.29 0.39 -0.11 4.45 2.07 -1.98 0.10 116.25 122.46 2ki8 h VAL 137 Ca -0.50 -0.14 -0.12 0.00 0.82 0.00 0.00 66.70 66.76 2ki8 h VAL 137 Cb 1.28 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2ki8 h VAL 137 CO 0.57 0.08 -0.40 0.50 0.02 0.00 0.00 177.57 178.34 2ki8 h LYS 138 N 0.42 0.47 -0.57 1.57 3.64 -2.00 -2.89 116.57 117.19 2ki8 h LYS 138 Ca 0.69 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 2ki8 h LYS 138 Cb 1.47 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.32 2ki8 h LYS 138 CO -0.56 0.98 0.33 1.49 -2.27 0.00 0.00 179.45 179.42 2ki8 h GLU 139 N 0.05 0.78 -0.86 1.90 4.57 -1.34 -0.23 114.58 119.45 2ki8 h GLU 139 Ca -0.02 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2ki8 h GLU 139 Cb 1.03 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.42 2ki8 h GLU 139 CO 0.08 0.56 0.53 1.25 -1.18 0.00 0.00 179.01 180.26 2ki8 h LEU 140 N 0.79 1.02 -0.33 1.64 6.46 -0.92 0.49 115.31 124.47 2ki8 h LEU 140 Ca 0.21 -0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.94 2ki8 h LEU 140 Cb -0.00 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.64 2ki8 h LEU 140 CO -0.04 0.77 0.14 -0.07 -0.62 0.00 0.00 178.44 178.63 2ki8 h LEU 141 N 1.18 0.19 -1.44 2.25 3.38 -0.84 -0.97 115.31 119.06 2ki8 h LEU 141 Ca 0.31 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 2ki8 h LEU 141 Cb -0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2ki8 h LEU 141 CO -0.06 0.15 -0.22 -0.33 0.09 0.00 0.00 178.44 178.06 2ki8 h GLU 142 N 0.30 0.08 -0.41 1.13 5.08 -0.86 0.24 114.58 120.16 2ki8 h GLU 142 Ca 0.14 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.34 2ki8 h GLU 142 Cb 0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2ki8 h GLU 142 CO -0.12 0.30 -0.29 0.00 -1.00 0.00 0.00 179.01 177.90 2ki8 h ALA 143 N 1.70 0.58 0.00 3.43 0.00 -0.05 -3.16 119.26 121.76 2ki8 h ALA 143 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2ki8 h ALA 143 Cb 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2ki8 h ALA 143 CO 0.03 0.62 -0.37 -0.84 0.00 0.00 0.00 179.25 178.69 2ki8 h ILE 144 N 0.74 0.00 0.00 0.00 -0.00 -1.01 -3.48 117.51 113.76 2ki8 h ILE 144 Ca 0.08 -0.87 0.00 0.00 -0.00 0.00 0.00 64.86 64.06 2ki8 h ILE 144 Cb 0.88 1.68 0.00 0.00 -0.00 0.00 0.00 36.82 39.38 2ki8 h ILE 144 CO 0.08 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 178.84 2ki8 n GLY 145 N 1.18 3.82 0.00 0.16 0.00 -0.25 -5.10 105.19 104.99 2ki8 n GLY 145 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2ki8 n GLY 145 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76