#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kq8 s ILE 2 N 0.00 1.16 0.00 3.17 -0.00 -1.26 -4.88 121.20 119.38 2kq8 s ILE 2 Ca 0.00 -1.87 0.00 0.00 -0.00 0.00 0.00 60.65 58.78 2kq8 s ILE 2 Cb 0.00 -2.03 0.00 0.00 -0.00 0.00 0.00 42.46 40.43 2kq8 s ILE 2 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.55 2kq8 n GLY 3 N -1.44 -1.81 1.70 6.27 0.00 -1.26 -4.94 105.19 103.72 2kq8 n GLY 3 Ca -0.17 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.67 2kq8 n GLY 3 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kq8 n ASP 4 N 0.00 -6.92 -3.89 1.61 9.92 -1.26 -4.76 116.55 111.25 2kq8 n ASP 4 Ca 0.00 1.06 -0.42 0.00 -0.53 0.00 0.00 54.79 54.90 2kq8 n ASP 4 Cb 0.00 -3.82 -0.01 0.00 -0.64 0.00 0.00 41.12 36.65 2kq8 n ASP 4 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2kq8 n TYR 5 N 1.29 3.49 -4.27 1.24 4.01 -1.26 -4.78 117.16 116.88 2kq8 n TYR 5 Ca 0.00 -2.75 -0.19 0.00 -0.16 0.00 0.00 57.90 54.79 2kq8 n TYR 5 Cb 0.00 -2.46 -0.08 0.00 -0.31 0.00 0.00 39.34 36.49 2kq8 n TYR 5 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2kq8 n TYR 6 N 6.95 -0.86 -2.27 -0.72 4.01 -1.26 -5.06 117.16 117.95 2kq8 n TYR 6 Ca 0.51 -2.82 -0.33 0.00 -0.16 0.00 0.00 57.90 55.10 2kq8 n TYR 6 Cb 0.41 0.31 -0.04 0.00 -0.31 0.00 0.00 39.34 39.71 2kq8 n TYR 6 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2kq8 s ILE 7 N -3.34 3.66 -0.01 -0.72 -1.09 -1.26 -4.72 121.20 113.73 2kq8 s ILE 7 Ca 0.40 -0.58 0.00 0.00 -2.23 0.00 0.00 60.65 58.24 2kq8 s ILE 7 Cb 0.02 -4.49 0.01 0.00 -1.58 0.00 0.00 42.46 36.42 2kq8 s ILE 7 CO 0.28 -1.39 0.00 0.21 -1.23 0.00 0.00 174.94 172.82 2kq8 s ASN 8 N 6.63 0.12 -0.79 3.58 2.47 -1.26 -5.06 114.94 120.63 2kq8 s ASN 8 Ca 0.60 -0.00 -0.25 0.00 0.42 0.00 0.00 52.86 53.62 2kq8 s ASN 8 Cb -0.03 -0.05 -0.04 0.00 -1.45 0.00 0.00 41.25 39.68 2kq8 s ASN 8 CO -0.04 -0.04 1.90 0.00 -3.72 0.00 0.00 177.10 175.20 2kq8 s ALA 9 N 0.40 1.87 0.00 1.71 0.00 -1.26 -3.79 121.76 120.68 2kq8 s ALA 9 Ca -0.03 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.73 2kq8 s ALA 9 Cb -0.05 -4.46 0.00 0.00 0.00 0.00 0.00 23.12 18.61 2kq8 s ALA 9 CO -0.01 -4.45 0.00 0.45 0.00 0.00 0.00 175.76 171.75 2kq8 n SER 10 N 13.43 0.00 0.00 0.00 2.88 -1.26 -5.01 113.62 123.66 2kq8 n SER 10 Ca 0.32 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 2kq8 n SER 10 Cb 0.49 0.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 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 -1.70 0.00 1.30 -1.46 0.00 -1.25 -4.64 120.51 112.76 2kq8 n ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kq8 n ALA 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kq8 n ALA 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kq8 n LEU 12 N -0.16 0.01 -0.76 0.00 7.99 -1.25 -3.06 117.00 119.77 2kq8 n LEU 12 Ca 0.00 -0.00 0.13 0.00 -0.01 0.00 0.00 56.01 56.12 2kq8 n LEU 12 Cb 0.00 -0.00 0.30 0.00 -0.11 0.00 0.00 43.42 43.61 2kq8 n LEU 12 CO 0.00 0.00 0.75 0.59 -1.51 0.00 0.00 177.39 177.22 2kq8 n ASN 13 N -0.49 2.34 -1.78 -1.43 3.02 -1.26 -3.74 115.26 111.93 2kq8 n ASN 13 Ca 0.00 -1.78 -0.16 0.00 -0.03 0.00 0.00 54.58 52.61 2kq8 n ASN 13 Cb 0.00 -0.05 0.09 0.00 -0.61 0.00 0.00 39.78 39.22 2kq8 n ASN 13 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2kq8 n VAL 14 N 0.81 2.45 1.81 2.41 0.31 -1.17 -4.41 118.33 120.54 2kq8 n VAL 14 Ca 0.17 -1.32 0.09 0.00 -0.01 0.00 0.00 64.34 63.27 2kq8 n VAL 14 Cb 0.48 -0.86 0.54 0.00 -0.91 0.00 0.00 33.84 33.09 2kq8 n VAL 14 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2kq8 n ARG 15 N -0.30 0.91 -1.17 5.55 3.00 -0.93 -1.92 116.66 121.81 2kq8 n ARG 15 Ca 0.35 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 58.14 2kq8 n ARG 15 Cb 1.02 -1.32 -0.02 0.00 0.00 0.00 0.00 32.46 32.14 2kq8 n ARG 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2kq8 n SER 16 N -0.82 -4.13 0.00 6.15 2.88 -1.26 -3.98 113.62 112.46 2kq8 n SER 16 Ca 0.14 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2kq8 n SER 16 Cb 0.06 -2.14 0.00 0.00 -0.75 0.00 0.00 64.21 61.39 2kq8 n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kq8 n GLY 17 N -1.69 0.07 1.92 0.46 0.00 -0.93 -4.49 105.19 100.52 2kq8 n GLY 17 Ca -0.06 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2kq8 n GLY 17 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kq8 n GLU 18 N 0.00 0.00 0.00 1.61 0.00 -1.06 -4.63 120.64 116.56 2kq8 n GLU 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2kq8 n GLU 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2kq8 n GLU 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kq8 n GLY 19 N -1.50 0.00 0.36 8.31 0.00 -1.26 -4.63 105.19 106.47 2kq8 n GLY 19 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 2kq8 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kq8 h THR 20 N 0.00 0.82 -0.57 2.61 1.03 -1.95 -3.41 112.91 111.43 2kq8 h THR 20 Ca 0.00 -0.06 0.21 0.00 -0.01 0.00 0.00 66.41 66.54 2kq8 h THR 20 Cb 0.44 0.62 -0.23 0.00 -1.07 0.00 0.00 68.15 67.91 2kq8 h THR 20 CO 0.00 0.03 0.17 0.21 -0.01 0.00 0.00 175.52 175.92 2kq8 s ASN 21 N -6.28 -0.53 0.00 0.00 2.47 -1.26 -5.03 114.94 104.31 2kq8 s ASN 21 Ca -0.06 0.47 0.00 0.00 0.42 0.00 0.00 52.86 53.69 2kq8 s ASN 21 Cb 0.20 1.50 0.00 0.00 -1.45 0.00 0.00 41.25 41.50 2kq8 s ASN 21 CO 0.73 -0.10 0.58 0.00 -3.72 0.00 0.00 177.10 174.60 2kq8 n TYR 22 N 5.24 0.00 0.07 0.43 4.11 -1.26 -2.19 117.16 123.55 2kq8 n TYR 22 Ca -0.07 -0.15 0.03 0.00 -0.00 0.00 0.00 57.90 57.70 2kq8 n TYR 22 Cb 0.53 -0.02 -0.05 0.00 -0.00 0.00 0.00 39.34 39.81 2kq8 n TYR 22 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.86 176.93 2kq8 h ARG 23 N 0.00 0.00 0.29 -3.48 0.11 -1.91 -3.40 114.38 106.00 2kq8 h ARG 23 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2kq8 h ARG 23 Cb 0.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.77 2kq8 h ARG 23 CO 0.00 0.27 -0.14 0.82 0.10 0.00 0.00 179.97 181.02 2kq8 h ILE 24 N 0.00 0.60 -2.72 0.08 1.08 -1.90 -3.48 117.51 111.18 2kq8 h ILE 24 Ca -0.11 -0.78 0.00 0.00 -0.39 0.00 0.00 64.86 63.58 2kq8 h ILE 24 Cb 1.44 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 36.14 2kq8 h ILE 24 CO 0.04 0.13 0.00 -0.38 -0.69 0.00 0.00 178.15 177.25 2kq8 n ILE 25 N -5.07 0.00 0.08 -0.67 -0.00 -1.26 -5.05 119.36 107.39 2kq8 n ILE 25 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.66 2kq8 n ILE 25 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.90 2kq8 n ILE 25 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2kq8 n GLY 26 N 1.94 -0.73 2.90 7.39 0.00 -0.81 -4.39 105.19 111.49 2kq8 n GLY 26 Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 2kq8 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kq8 s ALA 27 N -1.83 -1.08 -0.40 4.61 0.00 -1.26 -2.18 121.76 119.62 2kq8 s ALA 27 Ca 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.67 2kq8 s ALA 27 Cb 0.00 -2.18 0.19 0.00 0.00 0.00 0.00 23.12 21.12 2kq8 s ALA 27 CO 0.00 -2.00 0.83 -1.17 0.00 0.00 0.00 175.76 173.42 2kq8 s LEU 28 N 1.94 -1.03 -1.30 0.00 1.98 -1.25 -4.73 118.68 114.29 2kq8 s LEU 28 Ca 0.14 -0.78 -0.15 0.00 -2.89 0.00 0.00 54.13 50.45 2kq8 s LEU 28 Cb -0.12 1.33 0.10 0.00 0.66 0.00 0.00 46.19 48.16 2kq8 s LEU 28 CO -0.15 -0.09 1.77 -0.81 -1.89 0.00 0.00 176.35 175.19 2kq8 n PRO 29 N 3.64 3.24 0.00 0.98 -0.05 -1.26 -4.95 135.00 136.59 2kq8 n PRO 29 Ca 0.11 -3.34 0.00 0.00 -0.05 0.00 0.00 63.50 60.23 2kq8 n PRO 29 Cb 0.60 -3.26 0.00 0.00 -0.05 0.00 0.00 33.50 30.79 2kq8 n PRO 29 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 175.50 176.39 2kq8 n GLN 30 N 6.60 0.00 0.00 0.54 7.27 -1.26 -4.85 117.38 125.68 2kq8 n GLN 30 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.52 2kq8 n GLN 30 Cb 0.42 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.07 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 1.92 0.12 1.69 0.00 -1.26 -4.39 105.19 103.27 2kq8 n GLY 31 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 2kq8 n GLY 31 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2kq8 h GLN 32 N 0.00 0.29 -3.45 1.61 4.15 -1.99 -3.47 115.11 112.26 2kq8 h GLN 32 Ca 0.00 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 2kq8 h GLN 32 Cb 0.00 -0.03 -0.09 0.00 0.21 0.00 0.00 27.48 27.57 2kq8 h GLN 32 CO 0.00 0.49 -0.02 0.21 -1.93 0.00 0.00 178.83 177.58 2kq8 s LYS 33 N -5.07 1.55 0.12 1.69 2.47 -1.26 -5.14 119.74 114.10 2kq8 s LYS 33 Ca -0.14 -1.11 0.00 0.00 -1.56 0.00 0.00 55.97 53.16 2kq8 s LYS 33 Cb 0.06 0.51 0.00 0.00 -1.46 0.00 0.00 37.83 36.94 2kq8 s LYS 33 CO 0.72 -0.66 0.00 0.28 0.16 0.00 0.00 175.35 175.85 2kq8 n VAL 34 N -0.38 -1.47 -4.07 4.02 0.31 -1.26 -4.38 118.33 111.09 2kq8 n VAL 34 Ca -0.04 0.46 -0.13 0.00 -0.01 0.00 0.00 64.34 64.62 2kq8 n VAL 34 Cb 0.61 -0.67 -0.12 0.00 -0.91 0.00 0.00 33.84 32.75 2kq8 n VAL 34 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2kq8 s GLN 35 N -5.03 0.49 0.09 5.55 0.74 -1.26 -4.49 119.66 115.76 2kq8 s GLN 35 Ca 0.00 -0.63 -0.13 0.00 0.05 0.00 0.00 55.36 54.64 2kq8 s GLN 35 Cb 0.00 -0.28 -0.06 0.00 1.10 0.00 0.00 33.01 33.77 2kq8 s GLN 35 CO 0.00 0.05 0.48 0.54 -0.55 0.00 0.00 175.29 175.81 2kq8 s VAL 36 N -1.14 4.96 -0.18 1.34 0.11 -1.26 -3.14 120.40 121.08 2kq8 s VAL 36 Ca -0.08 0.73 -0.14 0.00 -2.93 0.00 0.00 61.98 59.56 2kq8 s VAL 36 Cb -0.08 -3.71 -0.08 0.00 -1.53 0.00 0.00 36.38 30.97 2kq8 s VAL 36 CO 0.00 0.34 -0.17 -0.38 -3.33 0.00 0.00 175.10 171.57 2kq8 n ILE 37 N 1.09 1.48 -3.60 7.04 5.41 0.14 -5.01 119.36 125.90 2kq8 n ILE 37 Ca -0.08 0.07 -0.06 0.00 1.00 0.00 0.00 62.75 63.68 2kq8 n ILE 37 Cb 0.52 -2.25 -0.04 0.00 -0.71 0.00 0.00 39.64 37.16 2kq8 n ILE 37 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2kq8 s SER 38 N -6.22 -0.21 -0.08 4.38 1.04 -1.19 -5.02 113.70 106.39 2kq8 s SER 38 Ca -0.24 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2kq8 s SER 38 Cb 0.05 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 2kq8 s SER 38 CO 0.38 -0.21 -0.07 -1.83 0.98 0.00 0.00 173.24 172.49 2kq8 s GLU 39 N -1.24 2.92 0.58 4.02 1.03 -1.26 -0.19 118.70 124.56 2kq8 s GLU 39 Ca 0.04 -0.56 0.04 0.00 0.03 0.00 0.00 54.97 54.52 2kq8 s GLU 39 Cb -0.01 -2.63 0.07 0.00 -0.80 0.00 0.00 34.13 30.76 2kq8 s GLU 39 CO -0.03 0.57 0.80 -0.80 -1.33 0.00 0.00 175.26 174.47 2kq8 s ASN 40 N -0.56 5.05 0.07 0.83 0.01 0.35 -4.95 114.94 115.74 2kq8 s ASN 40 Ca 0.08 -0.38 0.18 0.00 -0.71 0.00 0.00 52.86 52.03 2kq8 s ASN 40 Cb -0.12 -0.32 0.74 0.00 0.41 0.00 0.00 41.25 41.97 2kq8 s ASN 40 CO 0.02 -1.32 1.55 -0.24 -1.51 0.00 0.00 177.10 175.61 2kq8 n SER 41 N -2.36 0.18 0.00 -1.22 2.88 -1.26 -4.11 113.62 107.73 2kq8 n SER 41 Ca 0.12 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 2kq8 n SER 41 Cb 0.60 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 2kq8 n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kq8 n GLY 42 N 0.10 -0.30 3.53 0.46 0.00 -1.26 -4.73 105.19 102.98 2kq8 n GLY 42 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.53 2.43 -0.02 1.61 0.51 -1.26 -1.03 118.94 120.65 2kq8 s TRP 43 Ca 0.00 -0.29 0.02 0.00 -2.12 0.00 0.00 56.10 53.71 2kq8 s TRP 43 Cb 0.00 -1.07 -0.03 0.00 -0.81 0.00 0.00 33.47 31.55 2kq8 s TRP 43 CO 0.00 0.67 -0.05 0.45 -0.51 0.00 0.00 176.95 177.51 2kq8 s SER 44 N -3.49 4.77 -0.33 2.95 0.15 0.48 -0.50 113.70 117.74 2kq8 s SER 44 Ca 0.30 -0.07 -0.21 0.00 0.70 0.00 0.00 55.95 56.67 2kq8 s SER 44 Cb -0.06 -1.18 -0.00 0.00 -1.71 0.00 0.00 66.02 63.07 2kq8 s SER 44 CO 0.16 0.31 0.68 -0.54 1.20 0.00 0.00 173.24 175.05 2kq8 s LYS 45 N -1.25 3.83 0.12 5.44 -0.14 0.73 -2.45 119.74 126.03 2kq8 s LYS 45 Ca 0.16 0.28 0.05 0.00 -1.36 0.00 0.00 55.97 55.10 2kq8 s LYS 45 Cb -0.11 -3.76 -0.04 0.00 -1.68 0.00 0.00 37.83 32.24 2kq8 s LYS 45 CO 0.06 -0.67 -0.11 0.96 -0.76 0.00 0.00 175.35 174.83 2kq8 s ILE 46 N 2.75 1.12 -0.26 2.17 -4.36 -0.40 -0.69 121.20 121.53 2kq8 s ILE 46 Ca 0.27 -1.80 -0.02 0.00 -0.26 0.00 0.00 60.65 58.84 2kq8 s ILE 46 Cb -0.14 -1.57 0.03 0.00 1.25 0.00 0.00 42.46 42.03 2kq8 s ILE 46 CO 0.13 -0.59 -0.05 0.54 0.24 0.00 0.00 174.94 175.22 2kq8 s ASN 47 N -2.69 4.46 -0.99 4.36 2.20 -1.19 -0.63 114.94 120.46 2kq8 s ASN 47 Ca 0.10 -0.98 -0.12 0.00 -0.94 0.00 0.00 52.86 50.92 2kq8 s ASN 47 Cb -0.02 -1.67 0.24 0.00 -2.00 0.00 0.00 41.25 37.80 2kq8 s ASN 47 CO 0.01 -0.16 0.99 -0.47 -2.94 0.00 0.00 177.10 174.53 2kq8 s TYR 48 N 1.30 3.97 -1.20 1.54 5.04 0.05 -4.05 117.35 124.00 2kq8 s TYR 48 Ca -0.01 -2.31 -0.08 0.00 -2.44 0.00 0.00 57.07 52.23 2kq8 s TYR 48 Cb -0.17 -3.88 -0.02 0.00 0.35 0.00 0.00 41.96 38.24 2kq8 s TYR 48 CO -0.04 -1.02 0.77 0.09 -1.34 0.00 0.00 175.55 174.02 2kq8 n ASN 49 N 3.57 -3.56 0.00 4.32 3.02 -1.26 -1.99 115.26 119.36 2kq8 n ASN 49 Ca 0.20 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 2kq8 n ASN 49 Cb 0.43 -4.09 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 2kq8 n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kq8 n GLY 50 N -1.53 2.65 3.88 7.41 0.00 -1.26 -5.04 105.19 111.30 2kq8 n GLY 50 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 2kq8 n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kq8 s GLN 51 N -0.70 3.75 -0.36 1.61 1.11 -0.84 -5.05 119.66 119.18 2kq8 s GLN 51 Ca 0.00 0.24 -0.18 0.00 0.01 0.00 0.00 55.36 55.42 2kq8 s GLN 51 Cb 0.00 -2.59 -0.00 0.00 -1.01 0.00 0.00 33.01 29.40 2kq8 s GLN 51 CO 0.00 0.22 0.52 0.99 0.01 0.00 0.00 175.29 177.03 2kq8 s THR 52 N -2.00 5.00 0.10 -0.19 2.01 -1.26 -0.77 115.64 118.53 2kq8 s THR 52 Ca 0.47 0.31 0.10 0.00 0.31 0.00 0.00 61.69 62.88 2kq8 s THR 52 Cb -0.11 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2kq8 s THR 52 CO 0.25 -0.25 -0.23 -0.83 -0.69 0.00 0.00 174.62 172.87 2kq8 s GLY 53 N 1.78 1.58 0.03 4.40 0.00 0.20 -4.93 107.32 110.38 2kq8 s GLY 53 Ca 0.19 -1.36 0.05 0.00 0.00 0.00 0.00 44.72 43.60 2kq8 s GLY 53 CO 0.14 -1.31 -0.16 -0.19 0.00 0.00 0.00 173.10 171.58 2kq8 s TYR 54 N -1.02 1.36 0.12 1.90 2.02 -1.26 -1.27 117.35 119.19 2kq8 s TYR 54 Ca 0.15 -0.35 0.03 0.00 -0.37 0.00 0.00 57.07 56.54 2kq8 s TYR 54 Cb -0.10 -0.81 -0.04 0.00 -0.40 0.00 0.00 41.96 40.60 2kq8 s TYR 54 CO 0.06 0.04 -0.09 0.96 -1.57 0.00 0.00 175.55 174.95 2kq8 s ILE 55 N -0.79 0.97 -0.04 2.71 -5.25 -1.03 -3.41 121.20 114.37 2kq8 s ILE 55 Ca 0.03 -1.91 -0.30 0.00 -0.99 0.00 0.00 60.65 57.48 2kq8 s ILE 55 Cb -0.08 -1.67 -0.03 0.00 2.95 0.00 0.00 42.46 43.63 2kq8 s ILE 55 CO 0.01 -0.73 1.10 -0.83 -1.79 0.00 0.00 174.94 172.70 2kq8 s GLY 56 N -2.94 2.40 0.00 6.27 0.00 -1.26 -0.39 107.32 111.41 2kq8 s GLY 56 Ca 0.12 0.58 0.23 0.00 0.00 0.00 0.00 44.72 45.65 2kq8 s GLY 56 CO -0.01 1.99 1.75 2.41 0.00 0.00 0.00 173.10 179.23 2kq8 n THR 57 N 4.32 0.32 -0.04 0.90 -1.04 -0.20 -3.03 114.28 115.51 2kq8 n THR 57 Ca 0.09 0.08 -0.14 0.00 -2.04 0.00 0.00 64.05 62.04 2kq8 n THR 57 Cb 0.48 -0.70 -0.11 0.00 -1.82 0.00 0.00 70.33 68.18 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 0.02 -4.97 -2.82 2.47 -1.86 -3.44 114.38 103.79 2kq8 h ARG 58 Ca 0.00 -0.02 -0.65 0.00 -1.26 0.00 0.00 59.98 58.05 2kq8 h ARG 58 Cb 0.26 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 28.23 2kq8 h ARG 58 CO 0.00 0.72 -0.85 0.71 0.56 0.00 0.00 179.97 181.11 2kq8 s TYR 59 N -3.41 2.62 0.31 3.04 1.51 -1.17 -5.10 117.35 115.15 2kq8 s TYR 59 Ca -0.17 -1.53 0.03 0.00 -1.01 0.00 0.00 57.07 54.39 2kq8 s TYR 59 Cb -0.00 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 39.98 2kq8 s TYR 59 CO 0.69 -0.77 0.14 -0.51 -1.11 0.00 0.00 175.55 173.99 2kq8 s LEU 60 N 1.32 1.74 -0.06 -1.29 1.43 -1.26 -4.47 118.68 116.09 2kq8 s LEU 60 Ca 0.05 -1.54 -0.13 0.00 -1.03 0.00 0.00 54.13 51.47 2kq8 s LEU 60 Cb -0.13 0.11 0.03 0.00 0.03 0.00 0.00 46.19 46.23 2kq8 s LEU 60 CO -0.12 -0.86 0.30 -0.44 0.23 0.00 0.00 176.35 175.46 2kq8 s SER 61 N -3.40 -0.24 0.01 2.29 0.01 -1.26 -4.25 113.70 106.86 2kq8 s SER 61 Ca 0.35 0.30 -0.01 0.00 1.31 0.00 0.00 55.95 57.90 2kq8 s SER 61 Cb 0.05 0.45 -0.00 0.00 0.21 0.00 0.00 66.02 66.73 2kq8 s SER 61 CO 0.17 -0.30 -0.01 1.17 0.41 0.00 0.00 173.24 174.67 2kq8 n LYS 62 N 1.96 0.02 0.11 12.44 3.00 -1.26 -4.78 118.16 129.65 2kq8 n LYS 62 Ca -0.18 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 2kq8 n LYS 62 Cb 0.57 -0.20 0.00 0.00 0.00 0.00 0.00 35.03 35.40 2kq8 n LYS 62 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2kq8 n LEU 63 N -2.75 0.00 0.00 3.14 7.94 -1.26 -4.71 117.00 119.36 2kq8 n LEU 63 Ca -0.00 0.37 0.18 0.00 -1.11 0.00 0.00 56.01 55.45 2kq8 n LEU 63 Cb 0.02 0.26 -0.05 0.00 0.53 0.00 0.00 43.42 44.18 2kq8 n LEU 63 CO 0.01 -0.72 -0.25 -0.62 -1.11 0.00 0.00 177.39 174.69 2kq8 n GLU 64 N -3.32 -2.71 -3.13 1.96 4.71 -1.26 -4.88 120.64 111.99 2kq8 n GLU 64 Ca 0.00 1.79 -0.23 0.00 -0.01 0.00 0.00 57.16 58.71 2kq8 n GLU 64 Cb 0.01 -3.31 0.04 0.00 -1.01 0.00 0.00 31.44 27.17 2kq8 n GLU 64 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2kq8 n HIS 65 N -4.06 -2.09 -3.49 -0.32 8.25 -1.26 -4.96 115.22 107.29 2kq8 n HIS 65 Ca 0.01 0.59 -0.37 0.00 -0.26 0.00 0.00 57.72 57.69 2kq8 n HIS 65 Cb 0.61 -4.48 -0.07 0.00 1.12 0.00 0.00 29.99 27.18 2kq8 n HIS 65 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kq8 s HIS 66 N -3.19 3.47 -0.25 4.41 -3.43 -1.26 -4.66 115.29 110.39 2kq8 s HIS 66 Ca 0.35 0.65 -0.05 0.00 -0.80 0.00 0.00 55.06 55.22 2kq8 s HIS 66 Cb -0.16 -2.38 0.02 0.00 -1.43 0.00 0.00 32.58 28.63 2kq8 s HIS 66 CO 0.44 0.22 0.10 0.72 -2.00 0.00 0.00 174.74 174.22 2kq8 n HIS 67 N 3.60 -4.02 0.15 0.38 8.25 -1.26 -4.92 115.22 117.40 2kq8 n HIS 67 Ca -0.11 2.02 0.01 0.00 -0.26 0.00 0.00 57.72 59.39 2kq8 n HIS 67 Cb 0.52 -3.88 0.17 0.00 1.12 0.00 0.00 29.99 27.92 2kq8 n HIS 67 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kq8 h HIS 68 N 3.31 0.00 0.00 4.41 2.76 -2.03 -3.44 115.15 120.16 2kq8 h HIS 68 Ca -0.22 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.95 2kq8 h HIS 68 Cb 0.50 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.46 2kq8 h HIS 68 CO 0.01 0.55 0.00 1.58 -1.30 0.00 0.00 177.93 178.77 2kq8 n HIS 69 N -3.52 0.00 -0.96 5.26 -0.00 -1.26 -5.26 115.22 109.49 2kq8 n HIS 69 Ca -0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kq8 n HIS 69 Cb 0.64 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.51 2kq8 n HIS 69 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38