#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kq2 s ASP 2 N 0.00 2.28 -0.07 7.83 1.11 -1.26 -5.03 116.67 121.54 2kq2 s ASP 2 Ca 0.00 -0.90 0.02 0.00 0.18 0.00 0.00 52.55 51.85 2kq2 s ASP 2 Cb 0.00 -0.10 0.16 0.00 1.07 0.00 0.00 42.92 44.06 2kq2 s ASP 2 CO 0.00 -0.15 0.94 -0.90 1.18 0.00 0.00 175.17 176.24 2kq2 n ASP 3 N 0.15 2.47 0.21 0.27 5.75 -1.26 -3.42 116.55 120.71 2kq2 n ASP 3 Ca -0.12 -2.26 0.09 0.00 -0.01 0.00 0.00 54.79 52.49 2kq2 n ASP 3 Cb 0.58 -0.55 0.34 0.00 -1.03 0.00 0.00 41.12 40.46 2kq2 n ASP 3 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2kq2 h ARG 4 N 0.61 0.00 -4.52 0.11 3.08 -2.05 -3.41 114.38 108.21 2kq2 h ARG 4 Ca 0.05 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.38 2kq2 h ARG 4 Cb 1.05 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.89 2kq2 h ARG 4 CO 0.16 0.25 0.33 0.95 -1.07 0.00 0.00 179.97 180.60 2kq2 s THR 5 N -3.45 5.04 0.38 2.04 -4.23 -1.22 -4.96 115.64 109.24 2kq2 s THR 5 Ca 0.02 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 2kq2 s THR 5 Cb 0.09 -4.57 0.00 0.00 1.34 0.00 0.00 72.50 69.36 2kq2 s THR 5 CO 0.66 -1.21 0.00 -0.62 -0.54 0.00 0.00 174.62 172.91 2kq2 n GLU 6 N 5.65 -2.68 -4.06 3.99 4.71 -1.26 -4.96 120.64 122.02 2kq2 n GLU 6 Ca 0.08 1.91 -0.14 0.00 -0.01 0.00 0.00 57.16 59.01 2kq2 n GLU 6 Cb 0.46 -3.26 -0.13 0.00 -1.01 0.00 0.00 31.44 27.49 2kq2 n GLU 6 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2kq2 s TYR 7 N -2.80 0.40 -0.06 -0.32 2.02 -1.26 -4.93 117.35 110.41 2kq2 s TYR 7 Ca 0.00 -0.20 0.03 0.00 -0.37 0.00 0.00 57.07 56.53 2kq2 s TYR 7 Cb 0.00 -0.25 -0.03 0.00 -0.40 0.00 0.00 41.96 41.28 2kq2 s TYR 7 CO 0.00 -0.04 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.30 2kq2 s ASP 8 N -0.54 4.11 -0.21 2.29 1.01 -1.25 -4.73 116.67 117.35 2kq2 s ASP 8 Ca -0.03 -0.19 -0.01 0.00 0.71 0.00 0.00 52.55 53.04 2kq2 s ASP 8 Cb -0.04 -0.97 0.06 0.00 1.01 0.00 0.00 42.92 42.97 2kq2 s ASP 8 CO -0.00 0.33 -0.03 -0.69 0.21 0.00 0.00 175.17 174.99 2kq2 s VAL 9 N -0.62 1.17 -0.12 -1.27 1.01 -1.26 -3.63 120.40 115.68 2kq2 s VAL 9 Ca 0.09 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.91 2kq2 s VAL 9 Cb -0.11 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2kq2 s VAL 9 CO 0.01 -0.09 0.73 -0.31 0.00 0.00 0.00 175.10 175.45 2kq2 s TYR 10 N 1.57 3.49 0.00 5.22 2.02 -1.10 -4.82 117.35 123.73 2kq2 s TYR 10 Ca -0.03 1.20 0.00 0.00 -0.37 0.00 0.00 57.07 57.87 2kq2 s TYR 10 Cb -0.18 -2.87 0.00 0.00 -0.40 0.00 0.00 41.96 38.51 2kq2 s TYR 10 CO -0.07 -0.06 0.31 -2.37 -1.57 0.00 0.00 175.55 171.78 2kq2 n THR 11 N 4.24 0.00 -2.74 -0.71 5.66 -1.26 -0.99 114.28 118.49 2kq2 n THR 11 Ca 0.01 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 2kq2 n THR 11 Cb 0.50 0.35 0.00 0.00 -1.55 0.00 0.00 70.33 69.64 2kq2 n THR 11 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2kq2 n ASP 12 N 0.00 5.07 -4.46 1.09 2.03 -1.26 -4.54 116.55 114.48 2kq2 n ASP 12 Ca 0.00 -2.96 -0.43 0.00 0.52 0.00 0.00 54.79 51.92 2kq2 n ASP 12 Cb 0.52 -1.63 -0.08 0.00 -0.72 0.00 0.00 41.12 39.21 2kq2 n ASP 12 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2kq2 s GLY 13 N 3.20 1.89 0.00 0.27 0.00 -1.26 -4.56 107.32 106.86 2kq2 s GLY 13 Ca 0.47 -1.64 -0.32 0.00 0.00 0.00 0.00 44.72 43.23 2kq2 s GLY 13 CO 0.03 1.21 1.92 -1.14 0.00 0.00 0.00 173.10 175.12 2kq2 n SER 14 N 5.66 3.87 -4.77 1.64 3.41 -1.26 -4.80 113.62 117.37 2kq2 n SER 14 Ca -0.08 0.94 -0.36 0.00 -0.26 0.00 0.00 58.87 59.11 2kq2 n SER 14 Cb 0.46 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 2kq2 n SER 14 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2kq2 s TYR 15 N 4.09 2.72 -0.06 7.33 1.13 -1.26 -4.91 117.35 126.38 2kq2 s TYR 15 Ca 0.90 1.53 0.02 0.00 -1.41 0.00 0.00 57.07 58.11 2kq2 s TYR 15 Cb -0.54 -3.35 0.01 0.00 -1.10 0.00 0.00 41.96 36.98 2kq2 s TYR 15 CO 0.45 -1.63 -0.13 0.54 -2.51 0.00 0.00 175.55 172.27 2kq2 s VAL 16 N -1.66 1.16 -1.81 -3.49 0.11 -1.06 -4.70 120.40 108.96 2kq2 s VAL 16 Ca 0.70 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 2kq2 s VAL 16 Cb -0.27 -1.06 0.00 0.00 -1.53 0.00 0.00 36.38 33.53 2kq2 s VAL 16 CO 0.31 0.36 0.00 0.59 -3.33 0.00 0.00 175.10 173.03 2kq2 n ASN 17 N 3.74 -5.78 0.00 3.54 3.02 -1.26 -1.14 115.26 117.38 2kq2 n ASN 17 Ca -0.22 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 2kq2 n ASN 17 Cb 0.52 -4.83 0.00 0.00 -0.61 0.00 0.00 39.78 34.86 2kq2 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kq2 n GLY 18 N -0.95 2.94 3.70 7.41 0.00 -1.26 -4.99 105.19 112.04 2kq2 n GLY 18 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 2kq2 n GLY 18 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kq2 s GLN 19 N -0.03 4.37 -0.14 1.61 1.11 -0.29 -5.01 119.66 121.27 2kq2 s GLN 19 Ca 0.00 1.76 -0.10 0.00 0.01 0.00 0.00 55.36 57.03 2kq2 s GLN 19 Cb 0.00 -3.48 -0.05 0.00 -1.01 0.00 0.00 33.01 28.47 2kq2 s GLN 19 CO 0.00 -0.40 0.20 0.71 0.01 0.00 0.00 175.29 175.82 2kq2 s TYR 20 N 1.81 3.52 0.10 0.91 2.02 -1.26 -2.56 117.35 121.89 2kq2 s TYR 20 Ca 0.58 0.53 0.08 0.00 -0.37 0.00 0.00 57.07 57.90 2kq2 s TYR 20 Cb -0.28 -2.14 -0.03 0.00 -0.40 0.00 0.00 41.96 39.10 2kq2 s TYR 20 CO 0.25 0.47 -0.20 0.00 -1.57 0.00 0.00 175.55 174.50 2kq2 s ALA 21 N -0.23 1.78 -0.16 3.71 0.00 -1.26 -4.52 121.76 121.07 2kq2 s ALA 21 Ca 0.14 -1.25 -0.14 0.00 0.00 0.00 0.00 51.96 50.72 2kq2 s ALA 21 Cb -0.12 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 2kq2 s ALA 21 CO 0.03 0.35 0.28 1.67 0.00 0.00 0.00 175.76 178.09 2kq2 s TRP 22 N -1.21 3.45 -0.04 0.00 1.48 -0.14 -4.82 118.94 117.66 2kq2 s TRP 22 Ca 0.06 0.57 0.04 0.00 -1.06 0.00 0.00 56.10 55.71 2kq2 s TRP 22 Cb -0.10 -2.33 -0.00 0.00 -1.16 0.00 0.00 33.47 29.88 2kq2 s TRP 22 CO 0.04 0.24 -0.15 0.00 -4.06 0.00 0.00 176.95 173.02 2kq2 s ALA 23 N 0.48 1.34 -0.03 2.67 0.00 -1.26 -1.34 121.76 123.62 2kq2 s ALA 23 Ca 0.16 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.50 2kq2 s ALA 23 Cb -0.13 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.55 2kq2 s ALA 23 CO 0.03 0.24 0.08 0.71 0.00 0.00 0.00 175.76 176.82 2kq2 s TYR 24 N 0.07 -0.08 -0.18 0.00 2.02 -0.33 -4.02 117.35 114.83 2kq2 s TYR 24 Ca -0.03 0.22 -0.01 0.00 -0.37 0.00 0.00 57.07 56.88 2kq2 s TYR 24 Cb -0.11 -0.02 0.05 0.00 -0.40 0.00 0.00 41.96 41.49 2kq2 s TYR 24 CO 0.02 -0.06 -0.01 0.00 -1.57 0.00 0.00 175.55 173.93 2kq2 s ALA 25 N 0.30 1.25 -0.63 3.71 0.00 -0.16 -1.60 121.76 124.63 2kq2 s ALA 25 Ca -0.02 -0.77 -0.25 0.00 0.00 0.00 0.00 51.96 50.91 2kq2 s ALA 25 Cb -0.03 -1.16 0.05 0.00 0.00 0.00 0.00 23.12 21.97 2kq2 s ALA 25 CO -0.01 -0.99 1.06 -0.06 0.00 0.00 0.00 175.76 175.75 2kq2 s PHE 26 N 1.74 2.62 -0.14 0.00 0.40 -0.92 -2.73 117.98 118.95 2kq2 s PHE 26 Ca -0.01 -0.11 -0.02 0.00 -0.60 0.00 0.00 56.93 56.20 2kq2 s PHE 26 Cb -0.16 -4.32 -0.02 0.00 0.51 0.00 0.00 43.02 39.03 2kq2 s PHE 26 CO -0.07 -1.63 -0.08 0.54 0.70 0.00 0.00 175.22 174.68 2kq2 s VAL 27 N 4.51 3.48 -0.03 -0.44 0.11 -1.24 -1.08 120.40 125.72 2kq2 s VAL 27 Ca 0.31 -0.51 0.03 0.00 -2.93 0.00 0.00 61.98 58.87 2kq2 s VAL 27 Cb -0.12 -2.49 0.00 0.00 -1.53 0.00 0.00 36.38 32.24 2kq2 s VAL 27 CO 0.17 0.52 -0.11 -0.54 -3.33 0.00 0.00 175.10 171.81 2kq2 s LYS 28 N 0.25 1.14 0.00 1.54 1.02 0.46 -3.91 119.74 120.24 2kq2 s LYS 28 Ca -0.06 -0.36 0.00 0.00 0.02 0.00 0.00 55.97 55.57 2kq2 s LYS 28 Cb -0.15 -1.04 0.00 0.00 -0.52 0.00 0.00 37.83 36.12 2kq2 s LYS 28 CO 0.04 0.13 0.00 -3.47 -0.92 0.00 0.00 175.35 171.13 2kq2 n ASP 29 N 3.29 -4.26 0.00 2.83 2.03 -1.26 -0.64 116.55 118.54 2kq2 n ASP 29 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2kq2 n ASP 29 Cb 0.54 -2.07 0.00 0.00 -0.72 0.00 0.00 41.12 38.87 2kq2 n ASP 29 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kq2 n GLY 30 N -0.92 0.84 3.60 0.27 0.00 -1.26 -5.04 105.19 102.67 2kq2 n GLY 30 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2kq2 n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kq2 s LYS 31 N -0.51 3.92 -0.28 1.61 -0.14 0.19 -5.07 119.74 119.46 2kq2 s LYS 31 Ca 0.00 -0.36 -0.28 0.00 -1.36 0.00 0.00 55.97 53.97 2kq2 s LYS 31 Cb 0.00 -3.28 0.01 0.00 -1.68 0.00 0.00 37.83 32.88 2kq2 s LYS 31 CO 0.00 0.15 1.00 0.08 -0.76 0.00 0.00 175.35 175.82 2kq2 s VAL 32 N 0.73 4.63 0.11 3.17 1.01 -1.26 -0.40 120.40 128.39 2kq2 s VAL 32 Ca 0.04 1.74 -0.13 0.00 0.00 0.00 0.00 61.98 63.64 2kq2 s VAL 32 Cb -0.13 -4.32 -0.11 0.00 0.00 0.00 0.00 36.38 31.82 2kq2 s VAL 32 CO 0.02 -0.31 1.37 -0.74 0.00 0.00 0.00 175.10 175.44 2kq2 h HIS 33 N 7.85 1.06 -1.80 5.22 2.76 -1.45 -3.48 115.15 125.31 2kq2 h HIS 33 Ca -0.21 -0.40 0.20 0.00 -2.20 0.00 0.00 60.37 57.77 2kq2 h HIS 33 Cb 1.07 -0.19 -0.17 0.00 1.55 0.00 0.00 27.41 29.67 2kq2 h HIS 33 CO 0.79 1.22 0.68 1.52 -1.30 0.00 0.00 177.93 180.84 2kq2 s TYR 34 N -4.05 -0.21 0.06 5.26 1.13 -1.25 -5.06 117.35 113.24 2kq2 s TYR 34 Ca -0.11 0.12 -0.03 0.00 -1.41 0.00 0.00 57.07 55.64 2kq2 s TYR 34 Cb 0.09 0.53 -0.03 0.00 -1.10 0.00 0.00 41.96 41.45 2kq2 s TYR 34 CO 0.89 -0.35 0.03 -1.83 -2.51 0.00 0.00 175.55 171.77 2kq2 s GLU 35 N -2.71 0.69 0.19 -3.49 4.04 -1.26 -2.17 118.70 113.99 2kq2 s GLU 35 Ca 0.08 -1.17 -0.23 0.00 0.04 0.00 0.00 54.97 53.69 2kq2 s GLU 35 Cb -0.01 0.24 0.05 0.00 0.02 0.00 0.00 34.13 34.44 2kq2 s GLU 35 CO -0.06 -0.16 0.78 0.34 -1.84 0.00 0.00 175.26 174.32 2kq2 s ASP 36 N -2.91 -0.31 -0.28 0.83 -1.08 -0.63 -5.01 116.67 107.28 2kq2 s ASP 36 Ca 0.07 -0.37 -0.25 0.00 -0.52 0.00 0.00 52.55 51.49 2kq2 s ASP 36 Cb 0.07 0.60 0.11 0.00 -1.46 0.00 0.00 42.92 42.25 2kq2 s ASP 36 CO -0.10 -1.08 0.95 0.00 0.52 0.00 0.00 175.17 175.46 2kq2 s ALA 37 N -3.64 -1.93 0.28 3.66 0.00 -1.26 -1.19 121.76 117.68 2kq2 s ALA 37 Ca 0.09 1.93 -0.20 0.00 0.00 0.00 0.00 51.96 53.77 2kq2 s ALA 37 Cb -0.03 -1.38 0.05 0.00 0.00 0.00 0.00 23.12 21.75 2kq2 s ALA 37 CO 0.00 -0.27 0.82 0.34 0.00 0.00 0.00 175.76 176.66 2kq2 s ASP 38 N 0.31 -0.13 0.27 0.00 -1.08 -0.45 -4.63 116.67 110.96 2kq2 s ASP 38 Ca 0.02 -0.74 -0.01 0.00 -0.52 0.00 0.00 52.55 51.30 2kq2 s ASP 38 Cb -0.05 0.69 -0.04 0.00 -1.46 0.00 0.00 42.92 42.06 2kq2 s ASP 38 CO -0.05 -1.32 0.48 0.68 0.52 0.00 0.00 175.17 175.48 2kq2 s VAL 39 N -3.12 5.13 0.00 1.11 -7.23 -1.26 -0.97 120.40 114.06 2kq2 s VAL 39 Ca 0.14 -0.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.98 2kq2 s VAL 39 Cb -0.04 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 33.12 2kq2 s VAL 39 CO 0.07 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 2kq2 n GLY 40 N -1.12 -2.81 3.32 2.32 0.00 -1.26 -4.94 105.19 100.69 2kq2 n GLY 40 Ca -0.04 -0.29 -0.46 0.00 0.00 0.00 0.00 46.02 45.22 2kq2 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kq2 s LYS 41 N -0.25 3.61 0.04 1.61 2.20 -1.26 -4.94 119.74 120.74 2kq2 s LYS 41 Ca 0.00 -2.53 0.01 0.00 -0.36 0.00 0.00 55.97 53.10 2kq2 s LYS 41 Cb 0.00 -4.41 -0.02 0.00 -1.51 0.00 0.00 37.83 31.89 2kq2 s LYS 41 CO 0.00 -1.28 -0.06 -0.80 -0.36 0.00 0.00 175.35 172.85 2kq2 s ASN 42 N 2.02 0.67 0.34 1.43 -0.87 -1.26 -5.04 114.94 112.23 2kq2 s ASN 42 Ca 0.19 -0.56 0.02 0.00 -1.57 0.00 0.00 52.86 50.94 2kq2 s ASN 42 Cb -0.10 0.06 0.62 0.00 -0.02 0.00 0.00 41.25 41.81 2kq2 s ASN 42 CO -0.09 -0.25 2.00 -0.65 -2.57 0.00 0.00 177.10 175.54 2kq2 h PRO 43 N 4.45 0.86 0.00 -0.60 0.11 -2.00 -2.11 132.00 132.71 2kq2 h PRO 43 Ca -0.35 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2kq2 h PRO 43 Cb 1.20 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2kq2 h PRO 43 CO 0.42 0.57 0.00 0.00 -0.21 0.00 0.00 178.00 178.78 2kq2 n ALA 44 N -2.44 2.14 0.89 -0.75 0.00 -1.26 -3.00 120.51 116.09 2kq2 n ALA 44 Ca 0.08 -0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.51 2kq2 n ALA 44 Cb 0.07 -1.36 0.49 0.00 0.00 0.00 0.00 19.45 18.65 2kq2 n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kq2 n ALA 45 N -1.30 2.03 0.31 0.00 0.00 -0.79 -2.84 120.51 117.91 2kq2 n ALA 45 Ca 0.10 -0.09 0.19 0.00 0.00 0.00 0.00 53.44 53.65 2kq2 n ALA 45 Cb 0.18 -1.33 0.99 0.00 0.00 0.00 0.00 19.45 19.29 2kq2 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kq2 h ALA 46 N 2.89 1.09 -0.14 0.00 0.00 -1.63 0.11 119.26 121.58 2kq2 h ALA 46 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2kq2 h ALA 46 Cb 0.24 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2kq2 h ALA 46 CO 0.00 0.02 0.10 1.15 0.00 0.00 0.00 179.25 180.52 2kq2 h THR 47 N 0.00 0.92 0.00 0.00 2.02 -1.82 -3.24 112.91 110.79 2kq2 h THR 47 Ca -0.00 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.91 2kq2 h THR 47 Cb 0.18 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 2kq2 h THR 47 CO 0.00 0.00 -1.92 0.23 0.37 0.00 0.00 175.52 174.20 2kq2 n MET 48 N -4.48 0.37 -3.76 6.66 2.81 -0.52 -4.93 117.12 113.27 2kq2 n MET 48 Ca 0.00 0.13 -0.37 0.00 -1.81 0.00 0.00 57.70 55.65 2kq2 n MET 48 Cb 0.22 -1.18 -0.12 0.00 -0.71 0.00 0.00 33.22 31.44 2kq2 n MET 48 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2kq2 s ARG 49 N -2.31 2.39 -0.00 0.03 0.52 0.25 -4.95 118.95 114.88 2kq2 s ARG 49 Ca -0.23 -1.45 0.02 0.00 -0.52 0.00 0.00 55.73 53.55 2kq2 s ARG 49 Cb 0.08 -3.50 0.07 0.00 0.52 0.00 0.00 34.95 32.11 2kq2 s ARG 49 CO 0.32 -0.84 1.06 0.09 0.02 0.00 0.00 175.30 175.95 2kq2 n ASN 50 N 4.72 0.40 -0.02 0.23 4.13 -1.25 -3.77 115.26 119.71 2kq2 n ASN 50 Ca -0.09 -2.00 0.22 0.00 1.68 0.00 0.00 54.58 54.39 2kq2 n ASN 50 Cb 0.43 -0.05 0.71 0.00 -1.54 0.00 0.00 39.78 39.33 2kq2 n ASN 50 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2kq2 h VAL 51 N 0.44 0.65 -0.20 2.41 2.07 -1.92 -0.13 116.25 119.58 2kq2 h VAL 51 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 2kq2 h VAL 51 Cb 0.10 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2kq2 h VAL 51 CO 0.00 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.92 2kq2 h ALA 52 N 1.68 1.73 0.01 1.67 0.00 -1.95 -1.46 119.26 120.94 2kq2 h ALA 52 Ca 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2kq2 h ALA 52 Cb 1.14 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2kq2 h ALA 52 CO -0.00 -0.43 -0.01 0.78 0.00 0.00 0.00 179.25 179.59 2kq2 h GLY 53 N 0.00 -0.02 1.23 0.00 0.00 -1.35 0.13 103.07 103.07 2kq2 h GLY 53 Ca 0.10 0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 2kq2 h GLY 53 CO -0.00 -0.01 -0.03 0.83 0.00 0.00 0.00 176.54 177.33 2kq2 h GLU 54 N -0.19 0.92 -0.06 4.80 3.07 -1.48 -2.20 114.58 119.44 2kq2 h GLU 54 Ca -0.00 -0.29 -0.05 0.00 -0.50 0.00 0.00 59.36 58.53 2kq2 h GLU 54 Cb 0.18 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 2kq2 h GLU 54 CO 0.00 0.93 -0.18 0.82 -1.40 0.00 0.00 179.01 179.19 2kq2 h ILE 55 N 0.84 1.16 -0.27 3.13 2.04 -1.25 0.22 117.51 123.39 2kq2 h ILE 55 Ca 0.15 -0.76 -0.19 0.00 1.00 0.00 0.00 64.86 65.07 2kq2 h ILE 55 Cb 0.54 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 2kq2 h ILE 55 CO 0.03 0.22 -0.57 0.00 0.00 0.00 0.00 178.15 177.84 2kq2 h ALA 56 N 1.73 0.48 0.00 1.87 0.00 -0.29 -2.53 119.26 120.51 2kq2 h ALA 56 Ca 0.02 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 2kq2 h ALA 56 Cb 0.38 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2kq2 h ALA 56 CO 0.03 0.68 -0.54 0.00 0.00 0.00 0.00 179.25 179.42 2kq2 h ALA 57 N 0.71 1.00 0.00 0.00 0.00 -0.80 -2.38 119.26 117.79 2kq2 h ALA 57 Ca 0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2kq2 h ALA 57 Cb 1.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2kq2 h ALA 57 CO 0.12 0.68 -0.15 0.00 0.00 0.00 0.00 179.25 179.90 2kq2 h ALA 58 N 1.46 1.24 -0.69 0.00 0.00 -0.46 -2.08 119.26 118.74 2kq2 h ALA 58 Ca -0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2kq2 h ALA 58 Cb 1.03 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2kq2 h ALA 58 CO 0.07 0.19 0.18 1.25 0.00 0.00 0.00 179.25 180.94 2kq2 h LEU 59 N 0.00 1.02 -0.91 0.00 6.46 -0.99 0.27 115.31 121.16 2kq2 h LEU 59 Ca -0.00 -0.20 -0.11 0.00 -0.12 0.00 0.00 57.88 57.45 2kq2 h LEU 59 Cb 0.43 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 2kq2 h LEU 59 CO 0.02 0.97 -0.37 1.88 -0.62 0.00 0.00 178.44 180.32 2kq2 h TYR 60 N 1.03 0.40 -0.60 1.25 0.05 -1.43 -1.36 116.97 116.31 2kq2 h TYR 60 Ca 0.22 -0.10 -0.08 0.00 0.05 0.00 0.00 58.73 58.81 2kq2 h TYR 60 Cb 0.34 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 2kq2 h TYR 60 CO 0.03 0.67 0.04 0.00 -1.05 0.00 0.00 178.16 177.85 2kq2 h ALA 61 N 1.32 0.94 -0.50 3.88 0.00 -0.89 0.32 119.26 124.33 2kq2 h ALA 61 Ca 0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2kq2 h ALA 61 Cb 0.79 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2kq2 h ALA 61 CO 0.06 0.65 0.21 0.28 0.00 0.00 0.00 179.25 180.45 2kq2 h VAL 62 N 0.94 1.21 -0.55 0.00 2.07 -0.64 0.33 116.25 119.60 2kq2 h VAL 62 Ca 0.18 -0.63 -0.10 0.00 0.82 0.00 0.00 66.70 66.97 2kq2 h VAL 62 Cb 0.49 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2kq2 h VAL 62 CO 0.02 0.24 -0.05 0.50 0.02 0.00 0.00 177.57 178.30 2kq2 h LYS 63 N 0.66 0.99 -0.36 1.57 3.64 -0.88 -2.76 116.57 119.44 2kq2 h LYS 63 Ca 0.17 -0.33 -0.09 0.00 -1.27 0.00 0.00 60.65 59.13 2kq2 h LYS 63 Cb 0.17 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2kq2 h LYS 63 CO -0.02 1.01 -0.14 -0.22 -2.27 0.00 0.00 179.45 177.82 2kq2 h LYS 64 N 0.90 0.63 -0.47 1.90 3.64 -0.16 -2.91 116.57 120.10 2kq2 h LYS 64 Ca 0.15 -0.20 0.07 0.00 -1.27 0.00 0.00 60.65 59.40 2kq2 h LYS 64 Cb 0.60 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 2kq2 h LYS 64 CO 0.04 0.75 0.32 0.00 -2.27 0.00 0.00 179.45 178.28 2kq2 h ALA 65 N 1.28 1.98 -0.93 5.00 0.00 -0.63 0.13 119.26 126.10 2kq2 h ALA 65 Ca 0.10 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.08 2kq2 h ALA 65 Cb 0.57 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 2kq2 h ALA 65 CO 0.04 -0.08 0.60 0.77 0.00 0.00 0.00 179.25 180.58 2kq2 h SER 66 N 0.36 0.89 0.29 0.00 0.02 -1.50 0.10 113.55 113.71 2kq2 h SER 66 Ca 0.21 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 61.04 2kq2 h SER 66 Cb 0.37 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2kq2 h SER 66 CO -0.05 0.54 -0.55 1.56 -1.14 0.00 0.00 176.83 177.19 2kq2 h GLN 67 N 1.00 0.28 0.00 3.45 4.20 -1.10 -2.99 115.11 119.95 2kq2 h GLN 67 Ca 0.42 -0.17 -0.11 0.00 0.06 0.00 0.00 58.65 58.85 2kq2 h GLN 67 Cb 0.32 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2kq2 h GLN 67 CO -0.18 0.76 -0.74 -0.07 -0.67 0.00 0.00 178.83 177.93 2kq2 h LEU 68 N 0.21 0.00 0.00 1.46 4.07 -1.16 -3.47 115.31 116.42 2kq2 h LEU 68 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2kq2 h LEU 68 Cb 1.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.78 2kq2 h LEU 68 CO 0.09 0.47 0.00 0.61 -1.08 0.00 0.00 178.44 178.53 2kq2 n GLY 69 N 1.26 0.89 3.73 0.83 0.00 0.27 -5.08 105.19 107.09 2kq2 n GLY 69 Ca -0.01 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 2kq2 n GLY 69 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kq2 s VAL 70 N -2.00 2.02 0.36 1.61 -7.23 -0.75 -5.02 120.40 109.40 2kq2 s VAL 70 Ca 0.00 -1.78 -0.09 0.00 -1.81 0.00 0.00 61.98 58.30 2kq2 s VAL 70 Cb 0.00 -2.80 0.03 0.00 0.56 0.00 0.00 36.38 34.17 2kq2 s VAL 70 CO 0.00 0.00 0.62 -1.59 -0.31 0.00 0.00 175.10 173.82 2kq2 s LYS 71 N -3.90 2.04 0.32 4.82 -2.85 -1.26 -4.03 119.74 114.87 2kq2 s LYS 71 Ca 0.34 -1.59 0.06 0.00 -1.00 0.00 0.00 55.97 53.79 2kq2 s LYS 71 Cb 0.04 0.53 -0.06 0.00 -2.06 0.00 0.00 37.83 36.28 2kq2 s LYS 71 CO 0.19 -0.90 -0.03 0.96 0.10 0.00 0.00 175.35 175.67 2kq2 s ILE 72 N -2.77 1.67 0.00 3.79 -5.25 -0.89 -4.35 121.20 113.40 2kq2 s ILE 72 Ca 0.23 -2.09 0.02 0.00 -0.99 0.00 0.00 60.65 57.82 2kq2 s ILE 72 Cb -0.03 -2.62 -0.01 0.00 2.95 0.00 0.00 42.46 42.75 2kq2 s ILE 72 CO 0.16 -0.18 -0.06 0.00 -1.79 0.00 0.00 174.94 173.06 2kq2 s ARG 73 N -3.75 0.50 -0.10 0.37 1.70 -1.26 -3.83 118.95 112.59 2kq2 s ARG 73 Ca 0.32 -0.31 -0.03 0.00 -0.47 0.00 0.00 55.73 55.23 2kq2 s ARG 73 Cb 0.06 -0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 33.95 2kq2 s ARG 73 CO 0.14 0.12 0.03 -1.50 -1.08 0.00 0.00 175.30 173.01 2kq2 s ILE 74 N -0.36 4.60 -0.16 4.99 2.07 -0.92 -4.67 121.20 126.75 2kq2 s ILE 74 Ca 0.00 -0.14 0.16 0.00 -1.41 0.00 0.00 60.65 59.26 2kq2 s ILE 74 Cb -0.04 -2.96 0.35 0.00 0.13 0.00 0.00 42.46 39.94 2kq2 s ILE 74 CO -0.00 0.60 1.18 0.18 -1.91 0.00 0.00 174.94 174.99 2kq2 n LEU 75 N 2.17 2.51 0.00 8.50 4.32 -1.26 -3.12 117.00 130.12 2kq2 n LEU 75 Ca -0.19 -3.45 0.00 0.00 -0.02 0.00 0.00 56.01 52.36 2kq2 n LEU 75 Cb 0.54 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 2kq2 n LEU 75 CO 0.29 1.01 0.00 1.57 -1.22 0.00 0.00 177.39 179.04 2kq2 n HIS 76 N -1.30 0.00 -3.32 -1.77 -0.00 -1.26 -4.85 115.22 102.72 2kq2 n HIS 76 Ca 0.17 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.96 2kq2 n HIS 76 Cb 0.66 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.46 2kq2 n HIS 76 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2kq2 s ASP 77 N 1.11 6.43 0.00 0.26 2.15 -1.26 -4.82 116.67 120.54 2kq2 s ASP 77 Ca 0.00 0.51 0.00 0.00 0.43 0.00 0.00 52.55 53.49 2kq2 s ASP 77 Cb 0.00 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 2kq2 s ASP 77 CO 0.00 -0.17 0.12 0.00 -0.17 0.00 0.00 175.17 174.96 2kq2 n TYR 78 N 4.94 0.00 -0.11 -5.34 9.36 -1.26 -4.89 117.16 119.85 2kq2 n TYR 78 Ca -0.07 -0.01 -0.25 0.00 3.32 0.00 0.00 57.90 60.90 2kq2 n TYR 78 Cb 0.51 -0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 39.10 2kq2 n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2kq2 n ALA 79 N -0.01 1.00 0.21 2.98 0.00 -1.26 -4.33 120.51 119.10 2kq2 n ALA 79 Ca 0.00 -0.78 0.06 0.00 0.00 0.00 0.00 53.44 52.71 2kq2 n ALA 79 Cb 0.26 -0.26 0.47 0.00 0.00 0.00 0.00 19.45 19.92 2kq2 n ALA 79 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kq2 h GLY 80 N -0.70 0.00 2.00 0.00 0.00 -1.99 -2.31 103.07 100.08 2kq2 h GLY 80 Ca -0.52 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 2kq2 h GLY 80 CO -0.28 0.00 -0.18 -2.22 0.00 0.00 0.00 176.54 173.87 2kq2 h ILE 81 N 0.00 0.79 0.00 2.60 2.04 -1.91 -2.63 117.51 118.40 2kq2 h ILE 81 Ca -0.00 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2kq2 h ILE 81 Cb 0.55 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 2kq2 h ILE 81 CO 0.04 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.36 2kq2 n ALA 82 N -2.35 2.00 -0.04 1.87 0.00 -0.87 -3.40 120.51 117.72 2kq2 n ALA 82 Ca -0.02 -0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 2kq2 n ALA 82 Cb 0.27 -1.35 -0.09 0.00 0.00 0.00 0.00 19.45 18.28 2kq2 n ALA 82 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2kq2 h PHE 83 N 0.00 0.33 0.00 0.00 3.57 -1.62 -3.26 116.94 115.96 2kq2 h PHE 83 Ca 0.00 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.37 2kq2 h PHE 83 Cb 0.37 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.06 2kq2 h PHE 83 CO 0.00 0.79 0.00 -1.49 -2.23 0.00 0.00 178.31 175.38 2kq2 h TRP 84 N -0.23 0.00 0.00 0.41 6.55 -1.75 -2.75 115.95 118.18 2kq2 h TRP 84 Ca -0.00 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 2kq2 h TRP 84 Cb 0.79 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.09 2kq2 h TRP 84 CO 0.12 0.00 -0.04 0.00 -1.05 0.00 0.00 178.44 177.46 2kq2 h ALA 85 N 2.13 1.06 -0.02 1.49 0.00 -1.55 -2.59 119.26 119.77 2kq2 h ALA 85 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2kq2 h ALA 85 Cb 0.60 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2kq2 h ALA 85 CO 0.00 0.05 -0.35 -2.37 0.00 0.00 0.00 179.25 176.58 2kq2 n THR 86 N -3.22 2.15 0.00 0.00 5.66 -1.04 -4.74 114.28 113.09 2kq2 n THR 86 Ca -0.01 -2.97 0.00 0.00 -3.05 0.00 0.00 64.05 58.02 2kq2 n THR 86 Cb 0.25 -0.24 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2kq2 n THR 86 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kq2 n GLY 87 N -1.19 -2.75 0.08 1.09 0.00 -0.97 -4.54 105.19 96.91 2kq2 n GLY 87 Ca 0.19 0.16 -0.08 0.00 0.00 0.00 0.00 46.02 46.28 2kq2 n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kq2 n GLU 88 N -1.83 0.50 -0.79 1.61 1.02 -1.26 -5.12 120.64 114.77 2kq2 n GLU 88 Ca 0.00 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 2kq2 n GLU 88 Cb 0.00 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 2kq2 n GLU 88 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 2kq2 n TRP 89 N -4.51 -0.13 -1.66 -0.32 -0.00 -1.26 -5.14 117.44 104.42 2kq2 n TRP 89 Ca -0.13 0.00 -0.45 0.00 -0.00 0.00 0.00 57.50 56.91 2kq2 n TRP 89 Cb 0.44 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.72 2kq2 n TRP 89 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 2kq2 n LYS 90 N 0.00 1.96 -1.95 5.87 3.00 -1.26 -4.78 118.16 121.00 2kq2 n LYS 90 Ca 0.00 0.70 -0.43 0.00 -0.00 0.00 0.00 58.31 58.58 2kq2 n LYS 90 Cb 0.00 -2.35 -0.03 0.00 0.00 0.00 0.00 35.03 32.65 2kq2 n LYS 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2kq2 s ALA 91 N 0.01 3.20 -0.26 3.14 0.00 -1.26 -4.98 121.76 121.60 2kq2 s ALA 91 Ca 0.70 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 53.19 2kq2 s ALA 91 Cb -0.67 -3.90 -0.05 0.00 0.00 0.00 0.00 23.12 18.50 2kq2 s ALA 91 CO 0.49 -2.09 0.19 0.15 0.00 0.00 0.00 175.76 174.50 2kq2 s LYS 92 N 5.00 4.00 0.27 0.00 1.02 -1.26 -4.69 119.74 124.08 2kq2 s LYS 92 Ca 0.80 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.50 2kq2 s LYS 92 Cb -0.29 -3.62 0.00 0.00 -0.52 0.00 0.00 37.83 33.40 2kq2 s LYS 92 CO 0.32 -0.10 0.00 -1.71 -0.92 0.00 0.00 175.35 172.95 2kq2 n ASN 93 N 4.79 -3.51 0.30 2.83 2.85 -1.26 -3.09 115.26 118.18 2kq2 n ASN 93 Ca -0.14 0.69 0.18 0.00 -0.11 0.00 0.00 54.58 55.19 2kq2 n ASN 93 Cb 0.52 -2.08 1.00 0.00 1.24 0.00 0.00 39.78 40.46 2kq2 n ASN 93 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 2kq2 h GLU 94 N -0.48 0.00 0.48 1.20 5.08 -1.97 -1.15 114.58 117.74 2kq2 h GLU 94 Ca -0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2kq2 h GLU 94 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2kq2 h GLU 94 CO 0.03 0.00 -0.23 0.35 -1.00 0.00 0.00 179.01 178.16 2kq2 h PHE 95 N 0.00 -0.59 0.00 4.33 3.57 -1.99 0.52 116.94 122.77 2kq2 h PHE 95 Ca 0.01 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 2kq2 h PHE 95 Cb 0.07 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2kq2 h PHE 95 CO 0.00 -0.35 -0.51 1.15 -2.23 0.00 0.00 178.31 176.37 2kq2 h THR 96 N -0.68 1.28 -0.26 4.41 2.02 -1.36 -2.53 112.91 115.79 2kq2 h THR 96 Ca -0.07 -1.81 -0.05 0.00 0.77 0.00 0.00 66.41 65.26 2kq2 h THR 96 Cb 0.51 2.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 2kq2 h THR 96 CO 0.11 0.50 -0.04 1.56 0.37 0.00 0.00 175.52 178.02 2kq2 h GLN 97 N 0.00 0.41 -0.15 6.66 4.20 -1.03 0.14 115.11 125.34 2kq2 h GLN 97 Ca -0.01 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.47 2kq2 h GLN 97 Cb 0.96 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 2kq2 h GLN 97 CO 0.07 0.47 -0.54 0.00 -0.67 0.00 0.00 178.83 178.15 2kq2 h ALA 98 N 1.57 0.79 -0.45 3.87 0.00 -0.49 0.16 119.26 124.72 2kq2 h ALA 98 Ca 0.08 -0.51 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 2kq2 h ALA 98 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2kq2 h ALA 98 CO 0.01 0.69 -0.22 -0.92 0.00 0.00 0.00 179.25 178.81 2kq2 h TYR 99 N 0.33 1.05 -0.23 0.00 3.20 -1.03 -3.12 116.97 117.17 2kq2 h TYR 99 Ca 0.01 -0.25 -0.10 0.00 3.14 0.00 0.00 58.73 61.52 2kq2 h TYR 99 Cb 1.06 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 2kq2 h TYR 99 CO 0.03 1.05 -0.24 0.00 -1.64 0.00 0.00 178.16 177.36 2kq2 h ALA 100 N 0.94 0.34 0.00 1.82 0.00 -0.61 -3.43 119.26 118.33 2kq2 h ALA 100 Ca 0.10 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2kq2 h ALA 100 Cb 0.78 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2kq2 h ALA 100 CO 0.06 0.32 0.00 1.17 0.00 0.00 0.00 179.25 180.80 2kq2 n LYS 101 N -4.36 0.00 0.31 0.00 3.00 0.54 -2.73 118.16 114.91 2kq2 n LYS 101 Ca -0.05 0.00 0.20 0.00 -0.00 0.00 0.00 58.31 58.46 2kq2 n LYS 101 Cb 0.44 0.00 0.97 0.00 0.00 0.00 0.00 35.03 36.43 2kq2 n LYS 101 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2kq2 h LEU 102 N 0.00 0.00 -2.06 3.14 7.12 -1.83 -1.89 115.31 119.80 2kq2 h LEU 102 Ca 0.00 0.00 0.11 0.00 0.13 0.00 0.00 57.88 58.12 2kq2 h LEU 102 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.11 2kq2 h LEU 102 CO 0.00 0.01 0.34 -0.03 -0.13 0.00 0.00 178.44 178.63 2kq2 h MET 103 N 0.00 0.00 0.00 1.25 4.05 -1.80 0.63 114.93 119.05 2kq2 h MET 103 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2kq2 h MET 103 Cb 0.23 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 2kq2 h MET 103 CO 0.00 0.00 0.20 -0.97 0.23 0.00 0.00 176.91 176.37 2kq2 h ASN 104 N 0.00 0.00 -1.00 1.39 -1.24 -1.62 -3.12 115.58 109.99 2kq2 h ASN 104 Ca 0.18 0.00 0.25 0.00 0.71 0.00 0.00 56.30 57.45 2kq2 h ASN 104 Cb 0.86 0.00 -0.13 0.00 0.73 0.00 0.00 38.32 39.79 2kq2 h ASN 104 CO -0.00 0.00 0.59 -0.61 -1.29 0.00 0.00 177.43 176.12 2kq2 h GLN 105 N 0.00 0.53 0.00 6.67 -0.00 -1.10 0.31 115.11 121.53 2kq2 h GLN 105 Ca 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 2kq2 h GLN 105 Cb 0.40 -0.12 -0.00 0.00 0.00 0.00 0.00 27.48 27.76 2kq2 h GLN 105 CO 0.00 0.35 -0.08 0.10 0.00 0.00 0.00 178.83 179.20 2kq2 h TYR 106 N 0.55 0.00 -3.18 3.99 -0.00 -1.81 -3.42 116.97 113.10 2kq2 h TYR 106 Ca 0.66 0.00 -0.58 0.00 -0.00 0.00 0.00 58.73 58.81 2kq2 h TYR 106 Cb 1.28 0.00 -0.06 0.00 -0.00 0.00 0.00 36.73 37.95 2kq2 h TYR 106 CO -0.01 0.08 0.82 1.03 -0.00 0.00 0.00 178.16 180.09 2kq2 s ARG 107 N -3.65 4.17 0.00 0.10 0.52 0.11 -4.91 118.95 115.29 2kq2 s ARG 107 Ca 0.01 1.23 0.00 0.00 -0.52 0.00 0.00 55.73 56.45 2kq2 s ARG 107 Cb 0.09 -3.69 0.00 0.00 0.52 0.00 0.00 34.95 31.87 2kq2 s ARG 107 CO 0.58 -0.76 0.41 0.41 0.02 0.00 0.00 175.30 175.96 2kq2 n GLY 108 N 3.59 0.96 0.01 -3.53 0.00 -1.26 -2.39 105.19 102.56 2kq2 n GLY 108 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 2kq2 n GLY 108 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kq2 n ILE 109 N 0.07 0.03 -4.61 -0.61 -0.00 -1.26 -4.89 119.36 108.08 2kq2 n ILE 109 Ca 0.00 -0.07 -0.24 0.00 -0.00 0.00 0.00 62.75 62.44 2kq2 n ILE 109 Cb 0.17 0.66 -0.14 0.00 -0.00 0.00 0.00 39.64 40.33 2kq2 n ILE 109 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.55 176.08 2kq2 s TYR 110 N -3.07 1.64 0.12 1.39 5.04 -1.01 -2.09 117.35 119.38 2kq2 s TYR 110 Ca 0.07 -0.36 -0.26 0.00 -2.44 0.00 0.00 57.07 54.08 2kq2 s TYR 110 Cb 0.16 -0.99 0.08 0.00 0.35 0.00 0.00 41.96 41.56 2kq2 s TYR 110 CO 0.83 0.06 1.05 -1.54 -1.34 0.00 0.00 175.55 174.61 2kq2 s SER 111 N -1.05 -0.12 -0.05 4.32 1.04 -1.25 -4.88 113.70 111.71 2kq2 s SER 111 Ca 0.06 -0.38 0.05 0.00 0.48 0.00 0.00 55.95 56.16 2kq2 s SER 111 Cb -0.08 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 2kq2 s SER 111 CO 0.01 -0.77 -0.22 0.12 0.98 0.00 0.00 173.24 173.36 2kq2 s PHE 112 N -2.91 2.20 -0.09 5.02 5.36 -1.26 -2.17 117.98 124.12 2kq2 s PHE 112 Ca 0.14 -0.65 0.01 0.00 -0.96 0.00 0.00 56.93 55.47 2kq2 s PHE 112 Cb -0.00 -1.45 0.02 0.00 -0.34 0.00 0.00 43.02 41.25 2kq2 s PHE 112 CO 0.01 -0.20 -0.10 -1.21 -1.46 0.00 0.00 175.22 172.26 2kq2 s GLU 113 N -0.09 1.66 -0.34 10.12 8.01 -1.18 -4.99 118.70 131.89 2kq2 s GLU 113 Ca -0.04 -0.35 -0.08 0.00 0.01 0.00 0.00 54.97 54.52 2kq2 s GLU 113 Cb -0.13 -1.54 0.03 0.00 -4.31 0.00 0.00 34.13 28.18 2kq2 s GLU 113 CO 0.03 -0.13 0.13 0.21 0.01 0.00 0.00 175.26 175.51 2kq2 s LYS 114 N 1.22 2.75 0.30 1.61 2.47 -1.26 -4.60 119.74 122.23 2kq2 s LYS 114 Ca -0.04 -1.10 0.10 0.00 -1.56 0.00 0.00 55.97 53.37 2kq2 s LYS 114 Cb -0.14 -3.52 -0.06 0.00 -1.46 0.00 0.00 37.83 32.65 2kq2 s LYS 114 CO -0.03 -0.64 -0.14 0.14 0.16 0.00 0.00 175.35 174.84 2kq2 s VAL 115 N 1.46 2.25 -0.41 4.02 -7.23 -1.26 -5.11 120.40 114.12 2kq2 s VAL 115 Ca 0.00 -2.29 -0.05 0.00 -1.81 0.00 0.00 61.98 57.83 2kq2 s VAL 115 Cb -0.19 -2.42 0.10 0.00 0.56 0.00 0.00 36.38 34.43 2kq2 s VAL 115 CO 0.04 -0.33 0.21 -0.75 -0.31 0.00 0.00 175.10 173.96 2kq2 s LYS 116 N -3.58 2.21 -0.11 4.82 2.47 -1.26 -5.05 119.74 119.25 2kq2 s LYS 116 Ca 0.30 -1.70 -0.03 0.00 -1.56 0.00 0.00 55.97 52.98 2kq2 s LYS 116 Cb -0.01 -3.62 0.05 0.00 -1.46 0.00 0.00 37.83 32.79 2kq2 s LYS 116 CO 0.15 -1.02 0.14 0.00 0.16 0.00 0.00 175.35 174.77 2kq2 s ALA 117 N 1.23 -0.00 -1.62 3.13 0.00 -1.26 -4.98 121.76 118.26 2kq2 s ALA 117 Ca 0.06 0.30 0.16 0.00 0.00 0.00 0.00 51.96 52.48 2kq2 s ALA 117 Cb -0.23 -0.88 0.53 0.00 0.00 0.00 0.00 23.12 22.54 2kq2 s ALA 117 CO -0.02 -0.74 1.42 -2.39 0.00 0.00 0.00 175.76 174.04 2kq2 n HIS 118 N 5.31 0.96 -0.51 0.00 1.44 -1.26 -4.34 115.22 116.82 2kq2 n HIS 118 Ca -0.05 -0.42 -0.12 0.00 -2.01 0.00 0.00 57.72 55.12 2kq2 n HIS 118 Cb 0.50 -0.10 0.05 0.00 0.12 0.00 0.00 29.99 30.55 2kq2 n HIS 118 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2kq2 n SER 119 N 0.99 5.26 -4.67 4.39 7.64 -1.26 -4.95 113.62 121.02 2kq2 n SER 119 Ca 0.19 -2.85 -0.48 0.00 1.01 0.00 0.00 58.87 56.74 2kq2 n SER 119 Cb 0.59 -0.92 -0.05 0.00 -1.01 0.00 0.00 64.21 62.83 2kq2 n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kq2 n GLY 120 N 0.29 1.41 3.63 0.23 0.00 -1.26 -4.92 105.19 104.58 2kq2 n GLY 120 Ca 0.25 0.86 -0.40 0.00 0.00 0.00 0.00 46.02 46.73 2kq2 n GLY 120 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kq2 n ASN 121 N 7.11 1.30 -0.17 1.61 5.15 -1.26 -4.74 115.26 124.25 2kq2 n ASN 121 Ca 0.24 0.96 0.17 0.00 -0.60 0.00 0.00 54.58 55.35 2kq2 n ASN 121 Cb 0.30 -1.39 0.53 0.00 -0.53 0.00 0.00 39.78 38.69 2kq2 n ASN 121 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2kq2 h GLU 122 N 1.24 0.35 -0.08 1.20 4.81 -2.00 0.12 114.58 120.23 2kq2 h GLU 122 Ca -0.47 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.70 2kq2 h GLU 122 Cb 1.34 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 2kq2 h GLU 122 CO 0.55 0.23 -0.13 0.74 -0.73 0.00 0.00 179.01 179.67 2kq2 h PHE 123 N 0.36 0.12 0.08 0.92 0.04 -2.00 -0.90 116.94 115.56 2kq2 h PHE 123 Ca 0.39 -0.01 -0.26 0.00 2.80 0.00 0.00 57.97 60.89 2kq2 h PHE 123 Cb 0.98 -0.03 0.01 0.00 2.20 0.00 0.00 35.95 39.11 2kq2 h PHE 123 CO -0.00 0.25 -1.13 -0.97 -0.60 0.00 0.00 178.31 175.85 2kq2 h ASN 124 N 0.11 0.58 -0.27 2.17 -1.24 -1.10 -3.13 115.58 112.71 2kq2 h ASN 124 Ca 0.02 -0.54 -0.02 0.00 0.71 0.00 0.00 56.30 56.47 2kq2 h ASN 124 Cb 0.30 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 2kq2 h ASN 124 CO 0.02 1.37 0.12 -0.78 -1.29 0.00 0.00 177.43 176.87 2kq2 h ASP 125 N 0.18 0.42 -0.31 1.15 3.58 -1.10 0.87 116.42 121.21 2kq2 h ASP 125 Ca -0.13 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.28 2kq2 h ASP 125 Cb 1.81 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.74 2kq2 h ASP 125 CO 0.20 0.39 0.19 0.22 -2.88 0.00 0.00 179.24 177.36 2kq2 h TYR 126 N 0.46 0.41 0.00 0.28 5.03 -1.14 -1.48 116.97 120.54 2kq2 h TYR 126 Ca 0.11 0.00 -0.13 0.00 2.58 0.00 0.00 58.73 61.30 2kq2 h TYR 126 Cb 0.12 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 2kq2 h TYR 126 CO 0.00 0.29 -0.60 -0.24 -1.32 0.00 0.00 178.16 176.29 2kq2 h VAL 127 N 0.41 1.10 -0.05 1.81 3.04 -1.41 -3.02 116.25 118.13 2kq2 h VAL 127 Ca 0.11 -2.38 -0.00 0.00 -1.01 0.00 0.00 66.70 63.42 2kq2 h VAL 127 Cb -0.00 2.43 -0.00 0.00 -2.01 0.00 0.00 31.29 31.70 2kq2 h VAL 127 CO -0.02 0.59 0.02 -0.78 -1.01 0.00 0.00 177.57 176.37 2kq2 h ASP 128 N 0.00 0.06 0.03 3.17 1.82 -0.48 -1.19 116.42 119.83 2kq2 h ASP 128 Ca -0.01 -0.13 -0.04 0.00 -0.39 0.00 0.00 57.03 56.47 2kq2 h ASP 128 Cb 1.38 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 41.36 2kq2 h ASP 128 CO 0.08 0.17 -0.11 0.00 -1.61 0.00 0.00 179.24 177.77 2kq2 h MET 129 N -0.05 0.19 -0.48 0.28 -0.00 -1.34 -1.44 114.93 112.09 2kq2 h MET 129 Ca 0.02 -0.04 -0.05 0.00 -0.00 0.00 0.00 59.70 59.63 2kq2 h MET 129 Cb 0.13 -0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 31.67 2kq2 h MET 129 CO -0.00 0.32 0.11 -0.22 -0.00 0.00 0.00 176.91 177.11 2kq2 h LYS 130 N 0.19 0.73 -0.47 -0.10 1.63 -1.29 -2.10 116.57 115.15 2kq2 h LYS 130 Ca 0.04 -0.14 -0.11 0.00 -0.85 0.00 0.00 60.65 59.59 2kq2 h LYS 130 Cb 0.32 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 2kq2 h LYS 130 CO 0.02 0.67 -0.14 0.00 -3.45 0.00 0.00 179.45 176.54 2kq2 h ALA 131 N 1.41 0.85 -0.35 5.00 0.00 -0.16 -2.61 119.26 123.40 2kq2 h ALA 131 Ca 0.16 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2kq2 h ALA 131 Cb 0.27 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2kq2 h ALA 131 CO -0.00 0.64 0.08 0.87 0.00 0.00 0.00 179.25 180.84 2kq2 h LYS 132 N 0.80 0.52 -0.45 0.00 6.56 -1.00 -1.70 116.57 121.30 2kq2 h LYS 132 Ca 0.12 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 2kq2 h LYS 132 Cb 0.67 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 32.22 2kq2 h LYS 132 CO 0.05 0.49 0.28 1.03 -2.06 0.00 0.00 179.45 179.24 2kq2 h SER 133 N 0.51 0.52 0.89 0.86 0.87 -1.01 0.01 113.55 116.21 2kq2 h SER 133 Ca 0.12 -0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.59 2kq2 h SER 133 Cb 0.21 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2kq2 h SER 133 CO -0.00 0.39 -0.36 0.00 -0.53 0.00 0.00 176.83 176.34 2kq2 h ALA 134 N 1.70 0.98 -0.00 6.23 0.00 -1.20 -2.28 119.26 124.69 2kq2 h ALA 134 Ca 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kq2 h ALA 134 Cb -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2kq2 h ALA 134 CO -0.03 0.44 -0.25 1.28 0.00 0.00 0.00 179.25 180.69 2kq2 n LEU 135 N -3.49 0.28 0.00 0.00 7.99 -0.75 -4.70 117.00 116.32 2kq2 n LEU 135 Ca -0.00 0.22 0.00 0.00 -0.01 0.00 0.00 56.01 56.22 2kq2 n LEU 135 Cb 0.51 -0.36 0.00 0.00 -0.11 0.00 0.00 43.42 43.46 2kq2 n LEU 135 CO 0.36 0.07 0.00 0.61 -1.51 0.00 0.00 177.39 176.92 2kq2 n GLY 136 N 1.49 0.97 3.56 -0.72 0.00 -0.86 -5.05 105.19 104.58 2kq2 n GLY 136 Ca 0.07 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 2kq2 n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kq2 s ILE 137 N -2.00 4.62 0.33 -0.61 1.09 -0.08 -4.98 121.20 119.56 2kq2 s ILE 137 Ca 0.00 0.70 0.02 0.00 -1.10 0.00 0.00 60.65 60.27 2kq2 s ILE 137 Cb 0.00 -4.32 0.02 0.00 -1.06 0.00 0.00 42.46 37.09 2kq2 s ILE 137 CO 0.00 -0.66 0.13 0.54 -0.10 0.00 0.00 174.94 174.86 2kq2 n ARG 138 N 6.77 1.10 -1.89 2.79 3.00 -1.26 -4.01 116.66 123.16 2kq2 n ARG 138 Ca 0.04 -2.22 -0.41 0.00 -0.01 0.00 0.00 57.85 55.24 2kq2 n ARG 138 Cb 0.48 0.41 -0.01 0.00 0.00 0.00 0.00 32.46 33.34 2kq2 n ARG 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kq2 s ASP 139 N -2.89 6.48 0.32 0.55 1.11 -1.26 -4.87 116.67 116.11 2kq2 s ASP 139 Ca 0.10 2.90 0.24 0.00 0.18 0.00 0.00 52.55 55.98 2kq2 s ASP 139 Cb -0.01 -2.65 1.15 0.00 1.07 0.00 0.00 42.92 42.48 2kq2 s ASP 139 CO 0.06 -0.79 1.74 -0.07 1.18 0.00 0.00 175.17 177.29 2kq2 h LEU 140 N 3.84 0.00 -0.07 1.23 3.38 -2.01 0.40 115.31 122.07 2kq2 h LEU 140 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2kq2 h LEU 140 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2kq2 h LEU 140 CO 0.70 0.00 -0.02 -1.84 0.09 0.00 0.00 178.44 177.37 2kq2 n GLU 141 N -2.34 0.67 -4.28 1.13 0.28 -1.26 -4.80 120.64 110.03 2kq2 n GLU 141 Ca 0.00 -0.07 -0.23 0.00 -0.16 0.00 0.00 57.16 56.70 2kq2 n GLU 141 Cb 0.15 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.40 2kq2 n GLU 141 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2kq2 s HIS 142 N -2.38 1.71 0.02 -1.84 3.76 0.14 -5.15 115.29 111.54 2kq2 s HIS 142 Ca 0.34 -0.44 -0.03 0.00 -0.15 0.00 0.00 55.06 54.79 2kq2 s HIS 142 Cb 0.21 -0.92 -0.01 0.00 1.11 0.00 0.00 32.58 32.96 2kq2 s HIS 142 CO 0.44 0.21 0.03 -1.01 -0.85 0.00 0.00 174.74 173.55 2kq2 s HIS 143 N -1.39 0.21 -0.28 1.40 3.76 -1.26 -4.62 115.29 113.10 2kq2 s HIS 143 Ca 0.07 -0.45 -0.04 0.00 -0.15 0.00 0.00 55.06 54.50 2kq2 s HIS 143 Cb -0.09 -0.16 0.10 0.00 1.11 0.00 0.00 32.58 33.54 2kq2 s HIS 143 CO 0.04 -0.24 0.12 -1.58 -0.85 0.00 0.00 174.74 172.24 2kq2 s HIS 144 N -1.67 0.43 0.21 1.40 2.46 -1.26 -5.12 115.29 111.73 2kq2 s HIS 144 Ca -0.13 -0.92 -0.04 0.00 0.47 0.00 0.00 55.06 54.44 2kq2 s HIS 144 Cb -0.08 -0.95 -0.03 0.00 -0.13 0.00 0.00 32.58 31.39 2kq2 s HIS 144 CO -0.01 -0.82 0.21 -1.01 -2.47 0.00 0.00 174.74 170.65 2kq2 s HIS 145 N 2.06 0.97 0.09 3.88 3.76 -1.26 -5.15 115.29 119.64 2kq2 s HIS 145 Ca 0.09 -1.22 0.02 0.00 -0.15 0.00 0.00 55.06 53.79 2kq2 s HIS 145 Cb -0.16 -0.38 -0.04 0.00 1.11 0.00 0.00 32.58 33.11 2kq2 s HIS 145 CO -0.34 -0.73 -0.06 -3.38 -0.85 0.00 0.00 174.74 169.38 2kq2 s HIS 146 N -4.12 0.85 -2.52 1.40 -3.43 -1.26 -5.36 115.29 100.85 2kq2 s HIS 146 Ca 0.35 -0.91 0.28 0.00 -0.80 0.00 0.00 55.06 53.98 2kq2 s HIS 146 Cb 0.05 -0.50 1.02 0.00 -1.43 0.00 0.00 32.58 31.73 2kq2 s HIS 146 CO 0.11 -0.17 1.73 1.58 -2.00 0.00 0.00 174.74 176.00