#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kq8 n ILE 2 N 0.00 -7.22 0.23 3.17 -0.00 -1.26 -4.89 119.36 109.40 2kq8 n ILE 2 Ca 0.00 1.04 0.13 0.00 -0.00 0.00 0.00 62.75 63.92 2kq8 n ILE 2 Cb 0.00 -5.10 0.30 0.00 -0.00 0.00 0.00 39.64 34.84 2kq8 n ILE 2 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 2kq8 h GLY 3 N 3.04 0.00 -4.97 7.39 0.00 -2.07 -3.47 103.07 102.99 2kq8 h GLY 3 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.95 2kq8 h GLY 3 CO 0.09 0.00 -0.57 1.34 0.00 0.00 0.00 176.54 177.40 2kq8 n ASP 4 N -3.10 -5.11 -4.54 0.19 2.03 -1.26 -4.93 116.55 99.83 2kq8 n ASP 4 Ca 0.03 -0.45 -0.41 0.00 0.52 0.00 0.00 54.79 54.48 2kq8 n ASP 4 Cb 0.47 -4.23 -0.03 0.00 -0.72 0.00 0.00 41.12 36.62 2kq8 n ASP 4 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2kq8 s TYR 5 N -3.27 2.44 0.01 -0.67 2.02 -1.26 -4.98 117.35 111.65 2kq8 s TYR 5 Ca 0.42 -0.46 -0.30 0.00 -0.37 0.00 0.00 57.07 56.35 2kq8 s TYR 5 Cb -0.18 -4.62 -0.06 0.00 -0.40 0.00 0.00 41.96 36.70 2kq8 s TYR 5 CO 0.60 -1.97 1.51 1.52 -1.57 0.00 0.00 175.55 175.64 2kq8 s TYR 6 N 5.19 2.60 0.00 2.71 1.13 -1.26 -4.95 117.35 122.76 2kq8 s TYR 6 Ca 0.38 0.58 0.00 0.00 -1.41 0.00 0.00 57.07 56.63 2kq8 s TYR 6 Cb -0.05 -3.79 0.00 0.00 -1.10 0.00 0.00 41.96 37.02 2kq8 s TYR 6 CO 0.04 -3.06 0.10 -0.89 -2.51 0.00 0.00 175.55 169.23 2kq8 n ILE 7 N 4.81 0.00 0.00 -3.49 -0.00 -1.26 -4.87 119.36 114.55 2kq8 n ILE 7 Ca 0.15 0.50 0.00 0.00 -0.00 0.00 0.00 62.75 63.39 2kq8 n ILE 7 Cb 0.43 -1.29 0.00 0.00 -0.00 0.00 0.00 39.64 38.78 2kq8 n ILE 7 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 2kq8 n ASN 8 N -1.64 0.00 -3.99 4.38 5.15 -1.26 -4.67 115.26 113.23 2kq8 n ASN 8 Ca 0.00 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.68 2kq8 n ASN 8 Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.26 2kq8 n ASN 8 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kq8 n ALA 9 N 0.00 -1.45 0.00 5.20 0.00 -1.26 -1.41 120.51 121.59 2kq8 n ALA 9 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2kq8 n ALA 9 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 15.90 2kq8 n ALA 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kq8 n SER 10 N -2.83 0.00 0.13 0.00 2.88 -1.26 -3.61 113.62 108.93 2kq8 n SER 10 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2kq8 n SER 10 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2kq8 n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kq8 n ALA 11 N 0.00 0.00 -2.71 -1.46 0.00 -0.50 -5.13 120.51 110.71 2kq8 n ALA 11 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2kq8 n ALA 11 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2kq8 n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kq8 s LEU 12 N -6.19 4.34 0.00 0.00 1.43 -1.24 -4.13 118.68 112.89 2kq8 s LEU 12 Ca 0.00 1.51 0.13 0.00 -1.03 0.00 0.00 54.13 54.73 2kq8 s LEU 12 Cb 0.00 -3.43 0.57 0.00 0.03 0.00 0.00 46.19 43.36 2kq8 s LEU 12 CO 0.00 -0.24 1.39 -3.20 0.23 0.00 0.00 176.35 174.53 2kq8 n ASN 13 N 4.01 0.76 0.00 2.29 5.15 -1.26 -4.27 115.26 121.94 2kq8 n ASN 13 Ca 0.04 -1.76 0.02 0.00 -0.60 0.00 0.00 54.58 52.29 2kq8 n ASN 13 Cb 0.51 -0.07 0.11 0.00 -0.53 0.00 0.00 39.78 39.80 2kq8 n ASN 13 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 2kq8 n VAL 14 N -0.19 0.58 0.00 3.44 0.24 -1.24 -3.00 118.33 118.15 2kq8 n VAL 14 Ca 0.10 0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.55 2kq8 n VAL 14 Cb 0.16 -1.08 0.00 0.00 -1.47 0.00 0.00 33.84 31.44 2kq8 n VAL 14 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2kq8 n ARG 15 N -1.17 0.00 -0.78 7.34 1.74 -1.26 -2.95 116.66 119.58 2kq8 n ARG 15 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2kq8 n ARG 15 Cb 0.02 -0.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 2kq8 n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2kq8 n SER 16 N -2.75 -2.23 0.00 0.55 7.64 -1.16 -4.17 113.62 111.49 2kq8 n SER 16 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2kq8 n SER 16 Cb 0.46 -2.26 0.00 0.00 -1.01 0.00 0.00 64.21 61.41 2kq8 n SER 16 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kq8 n GLY 17 N -1.14 1.35 3.42 0.23 0.00 -1.26 -4.64 105.19 103.15 2kq8 n GLY 17 Ca 0.00 0.45 -0.14 0.00 0.00 0.00 0.00 46.02 46.33 2kq8 n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kq8 s GLU 18 N 0.00 1.08 0.00 1.61 2.12 -1.26 -4.94 118.70 117.30 2kq8 s GLU 18 Ca 0.00 -0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.16 2kq8 s GLU 18 Cb 0.00 0.50 0.00 0.00 0.26 0.00 0.00 34.13 34.89 2kq8 s GLU 18 CO 0.00 -0.39 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 2kq8 n GLY 19 N 0.39 1.78 0.00 -1.50 0.00 -1.26 -4.97 105.19 99.62 2kq8 n GLY 19 Ca -0.18 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.02 2kq8 n GLY 19 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kq8 n THR 20 N 0.00 0.59 -4.14 2.61 5.66 -1.26 -4.55 114.28 113.19 2kq8 n THR 20 Ca 0.00 0.15 -0.16 0.00 -3.05 0.00 0.00 64.05 60.99 2kq8 n THR 20 Cb 0.00 -0.83 -0.15 0.00 -1.55 0.00 0.00 70.33 67.80 2kq8 n THR 20 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2kq8 s ASN 21 N -2.81 0.60 0.01 1.09 2.47 -1.26 -5.03 114.94 110.01 2kq8 s ASN 21 Ca 0.13 -0.09 0.22 0.00 0.42 0.00 0.00 52.86 53.54 2kq8 s ASN 21 Cb 0.12 -0.09 -0.21 0.00 -1.45 0.00 0.00 41.25 39.62 2kq8 s ASN 21 CO 0.32 0.05 0.73 -1.22 -3.72 0.00 0.00 177.10 173.25 2kq8 n TYR 22 N 3.07 0.11 1.13 0.43 4.01 -1.26 -3.56 117.16 121.09 2kq8 n TYR 22 Ca -0.14 0.03 0.09 0.00 -0.16 0.00 0.00 57.90 57.72 2kq8 n TYR 22 Cb 0.57 -0.39 0.29 0.00 -0.31 0.00 0.00 39.34 39.51 2kq8 n TYR 22 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2kq8 n ARG 23 N -2.03 1.73 0.00 -0.72 1.74 -1.26 -4.47 116.66 111.65 2kq8 n ARG 23 Ca -0.01 -1.11 0.00 0.00 -0.77 0.00 0.00 57.85 55.96 2kq8 n ARG 23 Cb 0.48 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 2kq8 n ARG 23 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 2kq8 n ILE 24 N 0.36 1.52 -1.75 0.55 0.13 -1.22 -3.74 119.36 115.21 2kq8 n ILE 24 Ca 0.14 0.48 -0.42 0.00 -1.10 0.00 0.00 62.75 61.86 2kq8 n ILE 24 Cb 0.30 -1.48 -0.02 0.00 -0.84 0.00 0.00 39.64 37.61 2kq8 n ILE 24 CO 0.00 0.00 0.00 2.30 2.80 0.00 0.00 176.55 181.65 2kq8 n ILE 25 N -1.38 1.02 0.00 9.51 -6.64 -1.26 -4.57 119.36 116.05 2kq8 n ILE 25 Ca 0.00 -0.26 0.00 0.00 -1.77 0.00 0.00 62.75 60.72 2kq8 n ILE 25 Cb 0.10 -1.97 0.00 0.00 -1.44 0.00 0.00 39.64 36.33 2kq8 n ILE 25 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2kq8 n GLY 26 N 2.17 4.70 2.95 3.28 0.00 -1.15 -4.84 105.19 112.29 2kq8 n GLY 26 Ca 0.08 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 2kq8 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kq8 n ALA 27 N -1.96 -0.13 -3.21 4.61 0.00 -1.26 -3.70 120.51 114.87 2kq8 n ALA 27 Ca 0.00 -1.49 -0.25 0.00 0.00 0.00 0.00 53.44 51.71 2kq8 n ALA 27 Cb 0.00 1.20 -0.06 0.00 0.00 0.00 0.00 19.45 20.59 2kq8 n ALA 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kq8 n LEU 28 N 0.00 2.50 -0.07 0.00 4.77 -1.26 -4.57 117.00 118.37 2kq8 n LEU 28 Ca 0.02 -5.23 -0.10 0.00 -0.03 0.00 0.00 56.01 50.67 2kq8 n LEU 28 Cb 0.52 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 2kq8 n LEU 28 CO 0.26 2.17 -0.19 1.55 -1.33 0.00 0.00 177.39 179.86 2kq8 h PRO 29 N 3.64 0.00 0.00 3.23 0.14 -1.88 -3.40 132.00 133.73 2kq8 h PRO 29 Ca 0.13 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.27 2kq8 h PRO 29 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.87 2kq8 h PRO 29 CO 0.68 0.43 0.00 0.94 0.14 0.00 0.00 178.00 180.19 2kq8 n GLN 30 N -4.61 0.00 0.00 0.86 7.27 -1.26 -4.19 117.38 115.46 2kq8 n GLN 30 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.94 2kq8 n GLN 30 Cb 0.35 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.00 2kq8 n GLN 30 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kq8 n GLY 31 N -0.00 3.34 0.05 1.69 0.00 -1.26 -4.93 105.19 104.08 2kq8 n GLY 31 Ca 0.00 -1.72 0.05 0.00 0.00 0.00 0.00 46.02 44.35 2kq8 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kq8 n GLN 32 N -1.96 1.99 0.21 1.61 -0.00 -1.26 -4.49 117.38 113.48 2kq8 n GLN 32 Ca 0.00 -1.95 0.08 0.00 -0.00 0.00 0.00 57.00 55.13 2kq8 n GLN 32 Cb 0.00 -1.20 0.42 0.00 -0.00 0.00 0.00 30.24 29.46 2kq8 n GLN 32 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.06 178.63 2kq8 h LYS 33 N 0.00 0.00 0.00 2.61 2.10 -1.92 -3.43 116.57 115.92 2kq8 h LYS 33 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kq8 h LYS 33 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 2kq8 h LYS 33 CO 0.00 0.30 0.00 1.55 -2.00 0.00 0.00 179.45 179.30 2kq8 n VAL 34 N -3.53 0.00 -1.12 0.07 3.14 -1.26 -4.29 118.33 111.35 2kq8 n VAL 34 Ca -0.00 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.41 2kq8 n VAL 34 Cb 0.45 -0.10 -0.02 0.00 -1.06 0.00 0.00 33.84 33.11 2kq8 n VAL 34 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 2kq8 n GLN 35 N -0.92 -2.83 -3.35 1.45 7.27 -1.26 -3.91 117.38 113.82 2kq8 n GLN 35 Ca 0.00 2.23 -0.38 0.00 0.07 0.00 0.00 57.00 58.92 2kq8 n GLN 35 Cb 0.00 -2.89 -0.06 0.00 2.41 0.00 0.00 30.24 29.70 2kq8 n GLN 35 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2kq8 s VAL 36 N -4.72 4.94 -0.15 1.69 1.01 -1.26 -3.14 120.40 118.76 2kq8 s VAL 36 Ca 0.00 1.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.88 2kq8 s VAL 36 Cb 0.00 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.46 2kq8 s VAL 36 CO 0.00 0.50 0.10 0.40 0.00 0.00 0.00 175.10 176.10 2kq8 h ILE 37 N 3.89 0.51 -2.58 2.22 5.03 -1.57 -3.49 117.51 121.53 2kq8 h ILE 37 Ca -0.48 -1.53 -0.04 0.00 -0.12 0.00 0.00 64.86 62.69 2kq8 h ILE 37 Cb 1.21 1.11 -0.15 0.00 -3.03 0.00 0.00 36.82 35.96 2kq8 h ILE 37 CO 0.66 0.17 0.18 -0.44 -0.68 0.00 0.00 178.15 178.04 2kq8 s SER 38 N -6.10 -0.58 0.01 1.72 0.01 -1.25 -5.06 113.70 102.45 2kq8 s SER 38 Ca -0.17 0.31 0.06 0.00 1.31 0.00 0.00 55.95 57.46 2kq8 s SER 38 Cb 0.02 0.56 -0.02 0.00 0.21 0.00 0.00 66.02 66.79 2kq8 s SER 38 CO 0.35 -0.79 -0.20 -1.83 0.41 0.00 0.00 173.24 171.18 2kq8 s GLU 39 N -2.56 1.50 -0.08 12.44 -1.05 -1.26 -1.41 118.70 126.28 2kq8 s GLU 39 Ca -0.05 -0.79 -0.31 0.00 -0.15 0.00 0.00 54.97 53.67 2kq8 s GLU 39 Cb -0.01 -1.51 0.12 0.00 -0.44 0.00 0.00 34.13 32.29 2kq8 s GLU 39 CO -0.02 0.40 1.01 1.21 0.95 0.00 0.00 175.26 178.81 2kq8 s ASN 40 N -0.75 -0.28 -1.75 0.83 3.84 -0.92 -4.98 114.94 110.93 2kq8 s ASN 40 Ca 0.07 0.02 0.00 0.00 0.21 0.00 0.00 52.86 53.16 2kq8 s ASN 40 Cb -0.08 0.29 0.00 0.00 -0.55 0.00 0.00 41.25 40.91 2kq8 s ASN 40 CO 0.00 -0.46 0.00 -1.20 -2.79 0.00 0.00 177.10 172.65 2kq8 n SER 41 N -0.14 -5.49 0.00 -4.21 7.64 -1.26 -2.71 113.62 107.45 2kq8 n SER 41 Ca -0.05 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2kq8 n SER 41 Cb 0.60 -4.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.23 2kq8 n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kq8 n GLY 42 N -0.92 3.49 3.45 0.23 0.00 -1.26 -5.07 105.19 105.11 2kq8 n GLY 42 Ca -0.22 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 2kq8 n GLY 42 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kq8 s TRP 43 N 0.00 2.09 -0.26 1.61 0.51 -1.10 -4.27 118.94 117.52 2kq8 s TRP 43 Ca 0.00 -0.52 -0.09 0.00 -2.12 0.00 0.00 56.10 53.37 2kq8 s TRP 43 Cb 0.00 -1.06 -0.04 0.00 -0.81 0.00 0.00 33.47 31.56 2kq8 s TRP 43 CO 0.00 0.49 0.12 0.45 -0.51 0.00 0.00 176.95 177.50 2kq8 s SER 44 N -3.47 5.53 0.13 2.95 0.15 0.16 -2.17 113.70 116.98 2kq8 s SER 44 Ca 0.29 -0.11 -0.27 0.00 0.70 0.00 0.00 55.95 56.55 2kq8 s SER 44 Cb -0.00 -2.01 -0.07 0.00 -1.71 0.00 0.00 66.02 62.23 2kq8 s SER 44 CO 0.13 -0.03 0.85 -0.75 1.20 0.00 0.00 173.24 174.64 2kq8 s LYS 45 N 1.62 4.63 0.29 5.44 2.20 -0.50 0.05 119.74 133.47 2kq8 s LYS 45 Ca 0.06 1.27 0.02 0.00 -0.36 0.00 0.00 55.97 56.97 2kq8 s LYS 45 Cb -0.15 -3.32 -0.05 0.00 -1.51 0.00 0.00 37.83 32.79 2kq8 s LYS 45 CO 0.07 0.38 0.10 0.96 -0.36 0.00 0.00 175.35 176.50 2kq8 s ILE 46 N -0.54 0.70 -0.19 5.43 -5.25 0.53 -1.36 121.20 120.53 2kq8 s ILE 46 Ca 0.40 -2.00 -0.00 0.00 -0.99 0.00 0.00 60.65 58.06 2kq8 s ILE 46 Cb -0.23 -2.65 0.05 0.00 2.95 0.00 0.00 42.46 42.58 2kq8 s ILE 46 CO 0.27 0.00 -0.06 0.21 -1.79 0.00 0.00 174.94 173.58 2kq8 s ASN 47 N -3.38 3.13 -0.21 4.36 3.84 -1.19 -0.48 114.94 121.02 2kq8 s ASN 47 Ca 0.36 -0.81 0.01 0.00 0.21 0.00 0.00 52.86 52.63 2kq8 s ASN 47 Cb 0.07 -1.01 0.05 0.00 -0.55 0.00 0.00 41.25 39.82 2kq8 s ASN 47 CO 0.15 -0.19 -0.07 -0.47 -2.79 0.00 0.00 177.10 173.72 2kq8 s TYR 48 N 1.56 2.26 -1.41 0.43 6.14 0.41 -3.98 117.35 122.75 2kq8 s TYR 48 Ca -0.01 -1.55 -0.06 0.00 0.64 0.00 0.00 57.07 56.09 2kq8 s TYR 48 Cb -0.16 -1.55 0.01 0.00 0.42 0.00 0.00 41.96 40.68 2kq8 s TYR 48 CO -0.08 -0.73 0.83 -1.71 0.64 0.00 0.00 175.55 174.50 2kq8 n ASN 49 N 4.72 -6.06 0.00 4.32 5.15 -1.26 -2.19 115.26 119.93 2kq8 n ASN 49 Ca -0.13 -0.38 0.00 0.00 -0.60 0.00 0.00 54.58 53.47 2kq8 n ASN 49 Cb 0.46 -4.80 0.00 0.00 -0.53 0.00 0.00 39.78 34.91 2kq8 n ASN 49 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kq8 n GLY 50 N -1.70 2.73 3.94 8.20 0.00 -1.26 -5.04 105.19 112.07 2kq8 n GLY 50 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 2kq8 n GLY 50 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kq8 s GLN 51 N -0.68 3.46 -0.36 1.61 -2.07 -0.93 -5.07 119.66 115.62 2kq8 s GLN 51 Ca 0.00 -0.54 -0.15 0.00 -1.82 0.00 0.00 55.36 52.85 2kq8 s GLN 51 Cb 0.00 -2.91 -0.00 0.00 -1.09 0.00 0.00 33.01 29.01 2kq8 s GLN 51 CO 0.00 0.46 0.36 0.99 -1.32 0.00 0.00 175.29 175.78 2kq8 s THR 52 N -1.83 5.17 0.35 3.63 2.01 -1.26 -0.45 115.64 123.27 2kq8 s THR 52 Ca 0.36 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.26 2kq8 s THR 52 Cb -0.11 -3.86 -0.00 0.00 0.01 0.00 0.00 72.50 68.55 2kq8 s THR 52 CO 0.29 -0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 2kq8 n GLY 53 N 5.01 3.76 2.93 4.40 0.00 0.37 -4.96 105.19 116.70 2kq8 n GLY 53 Ca -0.09 -2.32 -0.15 0.00 0.00 0.00 0.00 46.02 43.45 2kq8 n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kq8 s TYR 54 N -2.28 0.37 0.21 1.61 1.51 -1.25 -0.35 117.35 117.18 2kq8 s TYR 54 Ca 0.00 -0.07 0.11 0.00 -1.01 0.00 0.00 57.07 56.11 2kq8 s TYR 54 Cb 0.00 -0.25 -0.05 0.00 -0.11 0.00 0.00 41.96 41.56 2kq8 s TYR 54 CO 0.00 -0.02 -0.23 0.96 -1.11 0.00 0.00 175.55 175.16 2kq8 s ILE 55 N -0.02 2.36 -0.30 2.71 -5.25 0.11 -3.45 121.20 117.35 2kq8 s ILE 55 Ca 0.01 -2.12 -0.29 0.00 -0.99 0.00 0.00 60.65 57.26 2kq8 s ILE 55 Cb -0.02 -2.16 0.01 0.00 2.95 0.00 0.00 42.46 43.24 2kq8 s ILE 55 CO -0.00 -0.19 1.14 -0.83 -1.79 0.00 0.00 174.94 173.27 2kq8 s GLY 56 N -2.86 1.52 0.15 6.27 0.00 -1.26 0.38 107.32 111.51 2kq8 s GLY 56 Ca 0.23 0.02 0.13 0.00 0.00 0.00 0.00 44.72 45.10 2kq8 s GLY 56 CO 0.11 2.36 1.40 2.41 0.00 0.00 0.00 173.10 179.39 2kq8 n THR 57 N 5.91 1.34 0.03 0.90 -1.04 -1.26 -1.48 114.28 118.68 2kq8 n THR 57 Ca 0.13 0.50 -0.06 0.00 -2.04 0.00 0.00 64.05 62.58 2kq8 n THR 57 Cb 0.47 -1.46 0.14 0.00 -1.82 0.00 0.00 70.33 67.66 2kq8 n THR 57 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2kq8 h ARG 58 N 0.00 0.46 -4.38 -2.82 3.08 -1.89 -3.43 114.38 105.39 2kq8 h ARG 58 Ca 0.00 -0.23 -0.55 0.00 0.07 0.00 0.00 59.98 59.26 2kq8 h ARG 58 Cb 0.09 0.01 -0.37 0.00 0.08 0.00 0.00 29.97 29.78 2kq8 h ARG 58 CO 0.00 0.80 -0.81 0.71 -1.07 0.00 0.00 179.97 179.60 2kq8 s TYR 59 N -4.18 1.72 0.00 3.04 1.51 -0.55 -5.10 117.35 113.80 2kq8 s TYR 59 Ca -0.06 -0.91 -0.23 0.00 -1.01 0.00 0.00 57.07 54.86 2kq8 s TYR 59 Cb 0.13 -1.36 0.05 0.00 -0.11 0.00 0.00 41.96 40.66 2kq8 s TYR 59 CO 0.81 -0.57 0.51 -0.51 -1.11 0.00 0.00 175.55 174.68 2kq8 s LEU 60 N 1.63 -0.00 -0.26 -1.29 1.43 -1.26 -4.67 118.68 114.25 2kq8 s LEU 60 Ca 0.05 0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 53.29 2kq8 s LEU 60 Cb -0.13 2.02 -0.03 0.00 0.03 0.00 0.00 46.19 48.09 2kq8 s LEU 60 CO -0.09 -0.62 0.49 -0.55 0.23 0.00 0.00 176.35 175.81 2kq8 s SER 61 N -1.57 6.41 0.44 2.29 0.15 -1.26 -4.90 113.70 115.26 2kq8 s SER 61 Ca -0.09 0.49 -0.05 0.00 0.70 0.00 0.00 55.95 57.00 2kq8 s SER 61 Cb -0.02 -2.27 -0.04 0.00 -1.71 0.00 0.00 66.02 61.99 2kq8 s SER 61 CO 0.03 -0.26 0.74 -0.54 1.20 0.00 0.00 173.24 174.41 2kq8 s LYS 62 N 2.22 3.57 0.00 5.44 1.02 -1.26 -2.93 119.74 127.80 2kq8 s LYS 62 Ca 0.20 0.15 0.30 0.00 0.02 0.00 0.00 55.97 56.64 2kq8 s LYS 62 Cb -0.16 -2.43 1.42 0.00 -0.52 0.00 0.00 37.83 36.14 2kq8 s LYS 62 CO 0.09 -0.12 1.97 1.47 -0.92 0.00 0.00 175.35 177.85 2kq8 n LEU 63 N -2.01 0.28 -4.88 3.17 -0.00 -1.26 -4.84 117.00 107.46 2kq8 n LEU 63 Ca -0.00 0.08 -0.31 0.00 -0.00 0.00 0.00 56.01 55.79 2kq8 n LEU 63 Cb 0.55 -0.19 -0.04 0.00 -0.00 0.00 0.00 43.42 43.74 2kq8 n LEU 63 CO 0.52 0.05 0.31 -0.70 -0.00 0.00 0.00 177.39 177.57 2kq8 s GLU 64 N -2.43 3.79 -0.82 1.47 -6.30 -1.26 -3.81 118.70 109.34 2kq8 s GLU 64 Ca 0.32 0.33 0.00 0.00 -2.50 0.00 0.00 54.97 53.12 2kq8 s GLU 64 Cb 0.20 -2.54 0.00 0.00 0.00 0.00 0.00 34.13 31.80 2kq8 s GLU 64 CO 0.45 0.16 0.00 0.72 0.02 0.00 0.00 175.26 176.61 2kq8 n HIS 65 N -0.71 -0.42 -2.64 5.30 8.25 -1.26 -5.00 115.22 118.74 2kq8 n HIS 65 Ca 0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.07 2kq8 n HIS 65 Cb 0.53 -2.31 -0.05 0.00 1.12 0.00 0.00 29.99 29.28 2kq8 n HIS 65 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kq8 s HIS 66 N -2.46 3.80 -0.06 4.41 2.46 -1.25 -5.06 115.29 117.14 2kq8 s HIS 66 Ca 0.00 1.82 0.03 0.00 0.47 0.00 0.00 55.06 57.38 2kq8 s HIS 66 Cb 0.00 -3.10 -0.02 0.00 -0.13 0.00 0.00 32.58 29.32 2kq8 s HIS 66 CO 0.00 0.02 -0.14 -1.01 -2.47 0.00 0.00 174.74 171.14 2kq8 s HIS 67 N -1.20 2.71 -0.04 3.88 3.76 -1.26 -5.00 115.29 118.15 2kq8 s HIS 67 Ca 0.43 -0.21 0.01 0.00 -0.15 0.00 0.00 55.06 55.14 2kq8 s HIS 67 Cb -0.28 -1.65 -0.03 0.00 1.11 0.00 0.00 32.58 31.73 2kq8 s HIS 67 CO 0.35 0.14 -0.03 1.58 -0.85 0.00 0.00 174.74 175.94 2kq8 n HIS 68 N 2.44 0.00 -2.36 1.40 -0.00 -1.26 -5.00 115.22 110.45 2kq8 n HIS 68 Ca -0.17 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.13 2kq8 n HIS 68 Cb 0.52 -0.14 -0.03 0.00 -0.00 0.00 0.00 29.99 30.34 2kq8 n HIS 68 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kq8 s HIS 69 N -2.07 3.39 -2.14 1.57 5.04 -1.26 -5.38 115.29 114.44 2kq8 s HIS 69 Ca -0.05 1.24 0.31 0.00 -1.54 0.00 0.00 55.06 55.02 2kq8 s HIS 69 Cb 0.01 -3.48 1.67 0.00 0.04 0.00 0.00 32.58 30.82 2kq8 s HIS 69 CO 0.09 -1.52 2.09 0.72 -2.34 0.00 0.00 174.74 173.78