#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kq2 n ASP 2 N 0.00 6.11 -3.67 7.83 5.75 -1.26 -4.78 116.55 126.53 2kq2 n ASP 2 Ca 0.00 -2.93 -0.11 0.00 -0.01 0.00 0.00 54.79 51.74 2kq2 n ASP 2 Cb 0.00 -1.19 -0.11 0.00 -1.03 0.00 0.00 41.12 38.79 2kq2 n ASP 2 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 2kq2 s ASP 3 N 0.79 -0.04 0.00 -1.12 -4.77 -1.26 -5.02 116.67 105.25 2kq2 s ASP 3 Ca 0.43 0.78 0.00 0.00 -3.30 0.00 0.00 52.55 50.46 2kq2 s ASP 3 Cb 0.27 0.95 0.00 0.00 -1.09 0.00 0.00 42.92 43.05 2kq2 s ASP 3 CO -0.08 -0.23 0.00 -2.11 0.70 0.00 0.00 175.17 173.46 2kq2 n ARG 4 N 5.16 3.15 -2.58 2.11 1.85 -1.26 -4.93 116.66 120.16 2kq2 n ARG 4 Ca -0.10 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.33 2kq2 n ARG 4 Cb 0.50 -0.51 -0.03 0.00 -1.05 0.00 0.00 32.46 31.37 2kq2 n ARG 4 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2kq2 s THR 5 N -0.51 3.87 -0.05 8.89 -4.23 -1.26 -4.63 115.64 117.73 2kq2 s THR 5 Ca 0.00 -0.21 -0.00 0.00 -1.18 0.00 0.00 61.69 60.30 2kq2 s THR 5 Cb 0.00 -4.96 0.00 0.00 1.34 0.00 0.00 72.50 68.88 2kq2 s THR 5 CO 0.00 -1.86 0.00 1.21 -0.54 0.00 0.00 174.62 173.43 2kq2 n GLU 6 N 8.98 -0.81 -2.32 3.99 2.13 -1.26 -4.73 120.64 126.62 2kq2 n GLU 6 Ca 0.17 1.10 -0.42 0.00 0.66 0.00 0.00 57.16 58.67 2kq2 n GLU 6 Cb 0.50 -1.66 -0.03 0.00 0.27 0.00 0.00 31.44 30.52 2kq2 n GLU 6 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2kq2 s TYR 7 N -1.06 3.19 -0.43 4.31 2.02 -1.11 -4.77 117.35 119.50 2kq2 s TYR 7 Ca -0.00 1.08 -0.06 0.00 -0.37 0.00 0.00 57.07 57.72 2kq2 s TYR 7 Cb 0.00 -3.54 0.11 0.00 -0.40 0.00 0.00 41.96 38.13 2kq2 s TYR 7 CO 0.12 -1.85 0.26 0.34 -1.57 0.00 0.00 175.55 172.86 2kq2 s ASP 8 N 1.37 5.45 -0.39 2.29 2.15 -1.26 -1.53 116.67 124.75 2kq2 s ASP 8 Ca 0.61 -1.97 -0.17 0.00 0.43 0.00 0.00 52.55 51.46 2kq2 s ASP 8 Cb -0.31 -1.91 0.01 0.00 -0.30 0.00 0.00 42.92 40.41 2kq2 s ASP 8 CO 0.27 -0.60 0.41 -0.69 -0.17 0.00 0.00 175.17 174.39 2kq2 s VAL 9 N 1.24 5.12 0.01 1.11 1.01 -0.34 -4.58 120.40 123.96 2kq2 s VAL 9 Ca 0.07 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 2kq2 s VAL 9 Cb -0.24 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 2kq2 s VAL 9 CO -0.03 -0.29 0.09 -0.72 0.00 0.00 0.00 175.10 174.15 2kq2 s TYR 10 N 2.10 0.13 -0.40 5.22 1.13 -1.26 -1.53 117.35 122.74 2kq2 s TYR 10 Ca 0.12 -0.31 0.04 0.00 -1.41 0.00 0.00 57.07 55.51 2kq2 s TYR 10 Cb -0.17 -0.10 0.16 0.00 -1.10 0.00 0.00 41.96 40.75 2kq2 s TYR 10 CO 0.13 -0.28 0.40 0.99 -2.51 0.00 0.00 175.55 174.28 2kq2 s THR 11 N -1.66 -0.21 -0.40 -3.49 2.01 -1.26 -4.54 115.64 106.09 2kq2 s THR 11 Ca -0.13 -1.48 -0.00 0.00 0.31 0.00 0.00 61.69 60.38 2kq2 s THR 11 Cb -0.07 -0.76 0.11 0.00 0.01 0.00 0.00 72.50 71.79 2kq2 s THR 11 CO -0.00 -0.71 0.16 -0.62 -0.69 0.00 0.00 174.62 172.76 2kq2 s ASP 12 N 0.96 5.08 0.00 3.53 -1.08 -1.26 -4.93 116.67 118.97 2kq2 s ASP 12 Ca 0.23 -2.12 0.00 0.00 -0.52 0.00 0.00 52.55 50.14 2kq2 s ASP 12 Cb -0.09 -1.76 0.00 0.00 -1.46 0.00 0.00 42.92 39.61 2kq2 s ASP 12 CO -0.07 -0.48 0.00 0.61 0.52 0.00 0.00 175.17 175.75 2kq2 n GLY 13 N 4.41 1.11 0.41 2.66 0.00 -1.26 -4.80 105.19 107.73 2kq2 n GLY 13 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2kq2 n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kq2 n SER 14 N 0.00 0.00 -3.74 1.61 3.41 -1.26 -3.35 113.62 110.29 2kq2 n SER 14 Ca 0.00 -1.01 -0.13 0.00 -0.26 0.00 0.00 58.87 57.47 2kq2 n SER 14 Cb 0.00 -0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 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 0.00 -0.25 -0.20 7.33 1.13 -1.26 -1.71 117.35 122.39 2kq2 s TYR 15 Ca 0.00 0.63 -0.16 0.00 -1.41 0.00 0.00 57.07 56.13 2kq2 s TYR 15 Cb 0.00 -0.01 0.06 0.00 -1.10 0.00 0.00 41.96 40.91 2kq2 s TYR 15 CO 0.00 -0.19 0.52 0.54 -2.51 0.00 0.00 175.55 173.91 2kq2 s VAL 16 N 1.11 -0.01 -1.79 -3.49 0.11 0.05 -4.89 120.40 111.49 2kq2 s VAL 16 Ca -0.08 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2kq2 s VAL 16 Cb -0.10 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 2kq2 s VAL 16 CO -0.07 0.01 0.00 0.59 -3.33 0.00 0.00 175.10 172.30 2kq2 n ASN 17 N 3.33 -5.71 0.00 3.54 3.02 -1.26 -1.00 115.26 117.18 2kq2 n ASN 17 Ca -0.17 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 2kq2 n ASN 17 Cb 0.56 -4.80 0.00 0.00 -0.61 0.00 0.00 39.78 34.94 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 -0.91 1.34 3.76 7.41 0.00 -1.26 -5.01 105.19 110.51 2kq2 n GLY 18 Ca -0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.19 4.17 -0.03 1.61 -0.21 -0.17 -5.08 119.66 119.75 2kq2 s GLN 19 Ca 0.00 0.26 0.02 0.00 0.02 0.00 0.00 55.36 55.66 2kq2 s GLN 19 Cb 0.00 -3.37 0.01 0.00 1.00 0.00 0.00 33.01 30.64 2kq2 s GLN 19 CO 0.00 0.34 -0.09 -0.47 -2.12 0.00 0.00 175.29 172.94 2kq2 s TYR 20 N 0.11 1.05 -0.18 0.91 5.04 -1.26 -0.77 117.35 122.24 2kq2 s TYR 20 Ca 0.21 -0.29 -0.12 0.00 -2.44 0.00 0.00 57.07 54.43 2kq2 s TYR 20 Cb -0.14 -0.76 0.05 0.00 0.35 0.00 0.00 41.96 41.46 2kq2 s TYR 20 CO 0.08 -0.14 0.45 0.00 -1.34 0.00 0.00 175.55 174.59 2kq2 s ALA 21 N 0.35 -1.13 0.28 3.97 0.00 -0.69 -4.95 121.76 119.58 2kq2 s ALA 21 Ca -0.06 1.50 -0.23 0.00 0.00 0.00 0.00 51.96 53.17 2kq2 s ALA 21 Cb -0.11 -0.90 -0.09 0.00 0.00 0.00 0.00 23.12 22.03 2kq2 s ALA 21 CO 0.01 -0.25 0.85 1.67 0.00 0.00 0.00 175.76 178.03 2kq2 s TRP 22 N 1.00 3.68 0.21 0.00 1.48 -1.18 -4.71 118.94 119.42 2kq2 s TRP 22 Ca -0.06 1.61 -0.08 0.00 -1.06 0.00 0.00 56.10 56.51 2kq2 s TRP 22 Cb -0.06 -2.79 -0.02 0.00 -1.16 0.00 0.00 33.47 29.44 2kq2 s TRP 22 CO -0.08 0.27 0.31 0.00 -4.06 0.00 0.00 176.95 173.39 2kq2 s ALA 23 N -1.56 0.25 -0.08 2.67 0.00 -1.26 -1.26 121.76 120.51 2kq2 s ALA 23 Ca 0.47 -1.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.24 2kq2 s ALA 23 Cb -0.18 1.10 0.03 0.00 0.00 0.00 0.00 23.12 24.07 2kq2 s ALA 23 CO 0.23 -0.71 0.21 0.71 0.00 0.00 0.00 175.76 176.19 2kq2 s TYR 24 N -4.04 -0.25 -0.19 0.00 2.02 -0.27 -4.97 117.35 109.65 2kq2 s TYR 24 Ca 0.26 0.61 -0.00 0.00 -0.37 0.00 0.00 57.07 57.56 2kq2 s TYR 24 Cb 0.03 0.06 0.05 0.00 -0.40 0.00 0.00 41.96 41.69 2kq2 s TYR 24 CO 0.07 -0.14 -0.04 0.00 -1.57 0.00 0.00 175.55 173.87 2kq2 s ALA 25 N 0.49 1.57 -0.65 3.71 0.00 -1.26 -2.04 121.76 123.57 2kq2 s ALA 25 Ca -0.03 -0.99 -0.18 0.00 0.00 0.00 0.00 51.96 50.76 2kq2 s ALA 25 Cb -0.05 -1.24 0.12 0.00 0.00 0.00 0.00 23.12 21.96 2kq2 s ALA 25 CO -0.02 -0.99 0.75 -0.06 0.00 0.00 0.00 175.76 175.44 2kq2 s PHE 26 N 1.59 3.10 -0.35 0.00 0.40 0.41 -4.26 117.98 118.87 2kq2 s PHE 26 Ca -0.02 -1.13 -0.15 0.00 -0.60 0.00 0.00 56.93 55.03 2kq2 s PHE 26 Cb -0.17 -4.02 -0.01 0.00 0.51 0.00 0.00 43.02 39.33 2kq2 s PHE 26 CO -0.07 -1.28 0.34 0.54 0.70 0.00 0.00 175.22 175.45 2kq2 s VAL 27 N 2.38 5.19 -0.49 -0.44 0.11 -1.26 -1.55 120.40 124.34 2kq2 s VAL 27 Ca 0.14 -0.03 -0.13 0.00 -2.93 0.00 0.00 61.98 59.04 2kq2 s VAL 27 Cb -0.21 -3.81 0.11 0.00 -1.53 0.00 0.00 36.38 30.94 2kq2 s VAL 27 CO 0.03 -0.09 0.41 -0.75 -3.33 0.00 0.00 175.10 171.36 2kq2 s LYS 28 N 1.96 2.78 -1.47 1.54 2.20 0.27 -4.05 119.74 122.97 2kq2 s LYS 28 Ca 0.11 -1.64 -0.02 0.00 -0.36 0.00 0.00 55.97 54.06 2kq2 s LYS 28 Cb -0.17 -4.09 0.01 0.00 -1.51 0.00 0.00 37.83 32.07 2kq2 s LYS 28 CO 0.11 -1.19 0.32 -3.47 -0.36 0.00 0.00 175.35 170.76 2kq2 n ASP 29 N 5.10 -0.13 0.00 1.43 2.03 -1.26 -0.85 116.55 122.86 2kq2 n ASP 29 Ca -0.11 -1.09 0.00 0.00 0.52 0.00 0.00 54.79 54.10 2kq2 n ASP 29 Cb 0.41 -2.58 0.00 0.00 -0.72 0.00 0.00 41.12 38.23 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 -2.11 3.24 3.68 0.27 0.00 -1.26 -4.83 105.19 104.18 2kq2 n GLY 30 Ca -0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.89 4.20 -0.71 1.61 -0.14 -0.03 -5.03 119.74 118.75 2kq2 s LYS 31 Ca 0.00 0.19 -0.22 0.00 -1.36 0.00 0.00 55.97 54.58 2kq2 s LYS 31 Cb 0.00 -3.51 0.08 0.00 -1.68 0.00 0.00 37.83 32.71 2kq2 s LYS 31 CO 0.00 0.02 1.03 0.08 -0.76 0.00 0.00 175.35 175.72 2kq2 s VAL 32 N 1.12 4.32 0.03 3.17 1.01 -1.26 0.97 120.40 129.75 2kq2 s VAL 32 Ca 0.19 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.76 2kq2 s VAL 32 Cb -0.14 -4.73 -0.23 0.00 0.00 0.00 0.00 36.38 31.28 2kq2 s VAL 32 CO 0.07 -1.51 0.92 -0.74 0.00 0.00 0.00 175.10 173.85 2kq2 h HIS 33 N 9.51 0.04 -3.36 5.22 2.76 -1.66 -3.46 115.15 124.19 2kq2 h HIS 33 Ca -0.21 -0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 57.75 2kq2 h HIS 33 Cb 1.06 -0.00 -0.26 0.00 1.55 0.00 0.00 27.41 29.76 2kq2 h HIS 33 CO 1.02 1.04 -0.52 0.71 -1.30 0.00 0.00 177.93 178.87 2kq2 s TYR 34 N -2.64 -0.15 -0.20 5.26 2.02 -1.19 -5.02 117.35 115.42 2kq2 s TYR 34 Ca -0.03 0.37 -0.07 0.00 -0.37 0.00 0.00 57.07 56.97 2kq2 s TYR 34 Cb 0.09 0.05 0.09 0.00 -0.40 0.00 0.00 41.96 41.79 2kq2 s TYR 34 CO 0.82 -0.11 0.43 -2.00 -1.57 0.00 0.00 175.55 173.13 2kq2 s GLU 35 N -0.09 0.34 0.21 -0.62 2.56 -1.26 -0.44 118.70 119.41 2kq2 s GLU 35 Ca -0.02 1.05 -0.22 0.00 0.00 0.00 0.00 54.97 55.78 2kq2 s GLU 35 Cb -0.02 0.34 0.05 0.00 2.00 0.00 0.00 34.13 36.50 2kq2 s GLU 35 CO 0.00 -0.24 0.70 0.34 -0.56 0.00 0.00 175.26 175.50 2kq2 s ASP 36 N 2.57 -0.38 0.05 -1.70 -1.08 -0.86 -5.03 116.67 110.23 2kq2 s ASP 36 Ca -0.02 -0.34 -0.13 0.00 -0.52 0.00 0.00 52.55 51.54 2kq2 s ASP 36 Cb -0.12 0.65 0.02 0.00 -1.46 0.00 0.00 42.92 42.01 2kq2 s ASP 36 CO -0.13 -1.15 0.29 0.00 0.52 0.00 0.00 175.17 174.70 2kq2 s ALA 37 N -3.78 -0.64 0.20 3.66 0.00 -1.26 -1.11 121.76 118.82 2kq2 s ALA 37 Ca 0.07 -0.07 -0.10 0.00 0.00 0.00 0.00 51.96 51.86 2kq2 s ALA 37 Cb -0.04 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 2kq2 s ALA 37 CO -0.02 -0.43 0.34 0.34 0.00 0.00 0.00 175.76 176.00 2kq2 s ASP 38 N -2.17 -0.01 0.20 0.00 -1.08 -0.39 -4.84 116.67 108.38 2kq2 s ASP 38 Ca -0.04 -0.92 0.07 0.00 -0.52 0.00 0.00 52.55 51.14 2kq2 s ASP 38 Cb -0.00 0.49 -0.04 0.00 -1.46 0.00 0.00 42.92 41.91 2kq2 s ASP 38 CO -0.04 -0.98 0.08 0.68 0.52 0.00 0.00 175.17 175.43 2kq2 s VAL 39 N -4.00 4.04 0.00 1.11 -7.23 -1.26 -3.09 120.40 109.96 2kq2 s VAL 39 Ca 0.21 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 2kq2 s VAL 39 Cb 0.02 -3.09 0.00 0.00 0.56 0.00 0.00 36.38 33.87 2kq2 s VAL 39 CO 0.04 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 2kq2 n GLY 40 N -0.53 0.27 3.51 2.32 0.00 -1.26 -4.97 105.19 104.53 2kq2 n GLY 40 Ca -0.08 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.66 3.65 0.02 1.61 2.36 -1.26 -4.81 119.74 118.65 2kq2 s LYS 41 Ca 0.00 -1.54 -0.03 0.00 -2.55 0.00 0.00 55.97 51.85 2kq2 s LYS 41 Cb 0.00 -5.18 -0.02 0.00 -1.05 0.00 0.00 37.83 31.59 2kq2 s LYS 41 CO 0.00 -2.01 0.04 -0.80 1.55 0.00 0.00 175.35 174.13 2kq2 s ASN 42 N 4.24 0.21 0.56 1.43 0.01 -1.26 -5.03 114.94 115.10 2kq2 s ASN 42 Ca 0.41 -0.50 0.30 0.00 -0.71 0.00 0.00 52.86 52.36 2kq2 s ASN 42 Cb -0.02 0.17 1.65 0.00 0.41 0.00 0.00 41.25 43.46 2kq2 s ASN 42 CO -0.08 -0.40 2.15 1.55 -1.51 0.00 0.00 177.10 178.81 2kq2 h PRO 43 N 4.15 0.00 0.00 -0.60 0.13 -2.01 -1.87 132.00 131.79 2kq2 h PRO 43 Ca -0.32 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.77 2kq2 h PRO 43 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2kq2 h PRO 43 CO 0.46 0.07 -0.19 0.00 -0.23 0.00 0.00 178.00 178.11 2kq2 h ALA 44 N 1.93 1.37 -0.32 -0.56 0.00 -1.96 -2.33 119.26 117.39 2kq2 h ALA 44 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2kq2 h ALA 44 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kq2 h ALA 44 CO 0.01 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.49 2kq2 n ALA 45 N -2.36 2.46 -0.30 0.00 0.00 -0.70 -4.52 120.51 115.10 2kq2 n ALA 45 Ca -0.02 -0.68 0.12 0.00 0.00 0.00 0.00 53.44 52.86 2kq2 n ALA 45 Cb 0.28 -1.00 0.29 0.00 0.00 0.00 0.00 19.45 19.02 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 3.95 1.36 0.00 0.00 0.00 -1.49 -1.73 119.26 121.36 2kq2 h ALA 46 Ca 0.00 0.17 -0.29 0.00 0.00 0.00 0.00 54.91 54.79 2kq2 h ALA 46 Cb 0.58 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2kq2 h ALA 46 CO 0.00 -0.35 -1.88 2.41 0.00 0.00 0.00 179.25 179.42 2kq2 n THR 47 N -5.08 1.42 -2.58 0.00 -1.04 -1.26 -4.52 114.28 101.22 2kq2 n THR 47 Ca 0.21 -0.79 -0.42 0.00 -2.04 0.00 0.00 64.05 61.01 2kq2 n THR 47 Cb 0.63 -0.78 0.01 0.00 -1.82 0.00 0.00 70.33 68.38 2kq2 n THR 47 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 2kq2 n MET 48 N -2.90 4.51 -4.57 -2.82 0.00 -0.65 -4.94 117.12 105.75 2kq2 n MET 48 Ca -0.20 -4.14 -0.33 0.00 0.00 0.00 0.00 57.70 53.03 2kq2 n MET 48 Cb 1.03 -2.63 -0.15 0.00 0.00 0.00 0.00 33.22 31.48 2kq2 n MET 48 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 2kq2 s ARG 49 N -2.07 3.28 0.14 3.17 0.52 -1.22 -4.87 118.95 117.90 2kq2 s ARG 49 Ca 0.39 -0.72 -0.11 0.00 -0.52 0.00 0.00 55.73 54.76 2kq2 s ARG 49 Cb 0.12 -2.65 -0.02 0.00 0.52 0.00 0.00 34.95 32.91 2kq2 s ARG 49 CO -0.00 0.06 1.51 -0.91 0.02 0.00 0.00 175.30 175.98 2kq2 h ASN 50 N 7.18 0.97 -0.03 0.23 2.35 -1.94 -2.85 115.58 121.49 2kq2 h ASN 50 Ca -0.31 -0.42 -0.01 0.00 -0.55 0.00 0.00 56.30 55.02 2kq2 h ASN 50 Cb 1.20 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 39.29 2kq2 h ASN 50 CO 0.57 1.18 0.01 0.58 -1.65 0.00 0.00 177.43 178.11 2kq2 h VAL 51 N 0.77 1.03 -0.03 2.81 2.07 -1.95 -2.44 116.25 118.51 2kq2 h VAL 51 Ca 0.09 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.49 2kq2 h VAL 51 Cb 0.83 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2kq2 h VAL 51 CO 0.07 0.04 0.05 0.00 0.02 0.00 0.00 177.57 177.75 2kq2 h ALA 52 N 1.94 1.36 0.17 1.67 0.00 -1.92 -1.38 119.26 121.09 2kq2 h ALA 52 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2kq2 h ALA 52 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kq2 h ALA 52 CO -0.00 -0.06 -0.08 0.78 0.00 0.00 0.00 179.25 179.89 2kq2 h GLY 53 N 0.00 -0.23 1.53 0.00 0.00 -1.58 -2.07 103.07 100.71 2kq2 h GLY 53 Ca 0.01 0.09 -0.16 0.00 0.00 0.00 0.00 47.33 47.27 2kq2 h GLY 53 CO -0.00 -0.08 -0.56 0.83 0.00 0.00 0.00 176.54 176.72 2kq2 h GLU 54 N -0.37 0.49 -0.03 4.80 3.07 -1.51 -3.05 114.58 117.99 2kq2 h GLU 54 Ca -0.02 -0.32 -0.04 0.00 -0.50 0.00 0.00 59.36 58.48 2kq2 h GLU 54 Cb 0.29 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 2kq2 h GLU 54 CO 0.04 0.92 -0.15 0.82 -1.40 0.00 0.00 179.01 179.24 2kq2 h ILE 55 N 0.38 1.12 0.00 3.13 1.08 -1.26 -2.08 117.51 119.88 2kq2 h ILE 55 Ca 0.00 -0.58 -0.03 0.00 -0.39 0.00 0.00 64.86 63.87 2kq2 h ILE 55 Cb 1.10 1.27 -0.00 0.00 -3.07 0.00 0.00 36.82 36.11 2kq2 h ILE 55 CO 0.10 0.17 -0.14 0.00 -0.69 0.00 0.00 178.15 177.59 2kq2 h ALA 56 N 1.81 1.67 0.00 1.87 0.00 -1.25 -1.83 119.26 121.53 2kq2 h ALA 56 Ca 0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2kq2 h ALA 56 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2kq2 h ALA 56 CO 0.02 0.18 -0.44 0.00 0.00 0.00 0.00 179.25 179.01 2kq2 h ALA 57 N 1.86 1.03 0.00 0.00 0.00 -1.49 -2.61 119.26 118.05 2kq2 h ALA 57 Ca -0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2kq2 h ALA 57 Cb 0.26 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kq2 h ALA 57 CO 0.02 0.55 -0.15 0.00 0.00 0.00 0.00 179.25 179.66 2kq2 h ALA 58 N 1.56 0.93 -0.08 0.00 0.00 -1.40 -3.21 119.26 117.07 2kq2 h ALA 58 Ca -0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2kq2 h ALA 58 Cb 0.92 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2kq2 h ALA 58 CO 0.06 0.19 -0.10 1.25 0.00 0.00 0.00 179.25 180.65 2kq2 h LEU 59 N 0.00 0.11 -1.40 0.00 5.85 -1.31 -1.76 115.31 116.80 2kq2 h LEU 59 Ca -0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2kq2 h LEU 59 Cb 0.95 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 2kq2 h LEU 59 CO 0.02 0.23 0.37 1.88 -0.34 0.00 0.00 178.44 180.59 2kq2 h TYR 60 N 0.12 0.74 -0.26 1.25 0.05 -1.67 0.35 116.97 117.55 2kq2 h TYR 60 Ca 0.03 0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.69 2kq2 h TYR 60 Cb 0.25 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 2kq2 h TYR 60 CO 0.00 0.48 -0.36 0.00 -1.05 0.00 0.00 178.16 177.24 2kq2 h ALA 61 N 1.61 0.89 -0.52 3.88 0.00 -1.52 -1.92 119.26 121.69 2kq2 h ALA 61 Ca 0.21 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2kq2 h ALA 61 Cb -0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2kq2 h ALA 61 CO -0.04 0.63 -0.10 0.28 0.00 0.00 0.00 179.25 180.01 2kq2 h VAL 62 N 0.49 1.27 -0.63 0.00 2.07 -1.13 0.65 116.25 118.96 2kq2 h VAL 62 Ca 0.05 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.28 2kq2 h VAL 62 Cb 0.85 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 2kq2 h VAL 62 CO 0.07 0.43 0.18 0.50 0.02 0.00 0.00 177.57 178.78 2kq2 h LYS 63 N 0.86 0.97 0.00 1.57 3.11 -0.72 -2.05 116.57 120.31 2kq2 h LYS 63 Ca 0.14 -0.20 -0.15 0.00 -2.81 0.00 0.00 60.65 57.63 2kq2 h LYS 63 Cb 0.65 -0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 31.71 2kq2 h LYS 63 CO 0.04 0.85 -0.69 0.87 -2.81 0.00 0.00 179.45 177.71 2kq2 h LYS 64 N 0.94 0.00 -0.54 1.90 1.57 -1.11 -3.18 116.57 116.15 2kq2 h LYS 64 Ca 0.21 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2kq2 h LYS 64 Cb 0.29 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 2kq2 h LYS 64 CO -0.01 0.69 0.31 0.00 -0.57 0.00 0.00 179.45 179.88 2kq2 h ALA 65 N 1.31 1.54 -0.64 3.86 0.00 -0.16 0.90 119.26 126.06 2kq2 h ALA 65 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2kq2 h ALA 65 Cb 1.29 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2kq2 h ALA 65 CO 0.09 0.40 0.26 1.03 0.00 0.00 0.00 179.25 181.03 2kq2 h SER 66 N 0.74 0.85 -0.02 0.00 0.87 -1.45 0.51 113.55 115.05 2kq2 h SER 66 Ca 0.19 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2kq2 h SER 66 Cb -0.01 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 2kq2 h SER 66 CO -0.03 0.75 -0.14 1.56 -0.53 0.00 0.00 176.83 178.44 2kq2 h GLN 67 N 0.92 0.13 0.00 2.24 4.20 -1.25 -3.25 115.11 118.10 2kq2 h GLN 67 Ca 0.22 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 2kq2 h GLN 67 Cb 0.17 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2kq2 h GLN 67 CO -0.02 0.79 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.61 2kq2 h LEU 68 N -0.49 0.00 0.00 1.46 4.07 -0.81 -3.46 115.31 116.07 2kq2 h LEU 68 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2kq2 h LEU 68 Cb 0.83 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.57 2kq2 h LEU 68 CO 0.03 0.26 0.00 0.61 -1.08 0.00 0.00 178.44 178.25 2kq2 n GLY 69 N -0.26 0.84 3.86 0.83 0.00 0.11 -5.07 105.19 105.50 2kq2 n GLY 69 Ca -0.01 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 4.73 0.03 1.61 -7.23 -0.86 -5.02 120.40 111.67 2kq2 s VAL 70 Ca 0.00 0.83 0.07 0.00 -1.81 0.00 0.00 61.98 61.07 2kq2 s VAL 70 Cb 0.00 -3.62 -0.03 0.00 0.56 0.00 0.00 36.38 33.29 2kq2 s VAL 70 CO 0.00 -0.20 -0.18 -0.54 -0.31 0.00 0.00 175.10 173.87 2kq2 s LYS 71 N -3.05 2.12 0.13 4.82 -0.14 -1.26 -4.52 119.74 117.84 2kq2 s LYS 71 Ca 0.53 -0.95 0.07 0.00 -1.36 0.00 0.00 55.97 54.26 2kq2 s LYS 71 Cb -0.10 -2.20 -0.04 0.00 -1.68 0.00 0.00 37.83 33.81 2kq2 s LYS 71 CO 0.19 0.55 -0.16 0.96 -0.76 0.00 0.00 175.35 176.13 2kq2 s ILE 72 N -0.88 1.50 -0.13 2.17 -4.36 0.10 -2.74 121.20 116.87 2kq2 s ILE 72 Ca 0.14 -1.73 -0.11 0.00 -0.26 0.00 0.00 60.65 58.68 2kq2 s ILE 72 Cb -0.10 -1.60 -0.05 0.00 1.25 0.00 0.00 42.46 41.96 2kq2 s ILE 72 CO 0.04 -0.34 0.23 -0.13 0.24 0.00 0.00 174.94 174.99 2kq2 s ARG 73 N -2.57 3.92 -0.25 0.37 3.00 -0.58 -2.33 118.95 120.50 2kq2 s ARG 73 Ca 0.10 0.02 -0.00 0.00 0.00 0.00 0.00 55.73 55.84 2kq2 s ARG 73 Cb -0.06 -3.31 0.04 0.00 0.00 0.00 0.00 34.95 31.61 2kq2 s ARG 73 CO 0.04 0.51 -0.08 0.42 0.00 0.00 0.00 175.30 176.19 2kq2 s ILE 74 N -0.31 2.66 -0.83 1.52 -1.09 -0.76 -1.20 121.20 121.18 2kq2 s ILE 74 Ca 0.16 -1.19 -0.24 0.00 -2.23 0.00 0.00 60.65 57.14 2kq2 s ILE 74 Cb -0.13 -2.39 0.05 0.00 -1.58 0.00 0.00 42.46 38.41 2kq2 s ILE 74 CO 0.04 0.15 1.27 -0.22 -1.23 0.00 0.00 174.94 174.95 2kq2 s LEU 75 N 1.26 3.61 0.25 2.97 1.98 -0.58 -4.45 118.68 123.72 2kq2 s LEU 75 Ca -0.02 -0.98 0.01 0.00 -2.89 0.00 0.00 54.13 50.26 2kq2 s LEU 75 Cb -0.17 -2.53 -0.05 0.00 0.66 0.00 0.00 46.19 44.10 2kq2 s LEU 75 CO -0.05 -1.61 0.09 -2.28 -1.89 0.00 0.00 176.35 170.61 2kq2 s HIS 76 N 5.00 1.53 0.51 5.38 2.46 -1.26 -4.68 115.29 124.23 2kq2 s HIS 76 Ca 0.36 -1.17 -0.22 0.00 0.47 0.00 0.00 55.06 54.51 2kq2 s HIS 76 Cb -0.07 -0.90 -0.06 0.00 -0.13 0.00 0.00 32.58 31.43 2kq2 s HIS 76 CO 0.04 -0.32 1.23 0.34 -2.47 0.00 0.00 174.74 173.56 2kq2 s ASP 77 N -3.31 5.72 0.00 9.88 2.15 -1.26 -4.94 116.67 124.91 2kq2 s ASP 77 Ca 0.37 2.46 0.28 0.00 0.43 0.00 0.00 52.55 56.09 2kq2 s ASP 77 Cb 0.08 -2.61 1.10 0.00 -0.30 0.00 0.00 42.92 41.18 2kq2 s ASP 77 CO 0.13 -1.24 1.77 0.00 -0.17 0.00 0.00 175.17 175.66 2kq2 n TYR 78 N -0.86 0.00 0.13 -5.34 0.18 -1.26 -3.53 117.16 106.48 2kq2 n TYR 78 Ca 0.09 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.99 2kq2 n TYR 78 Cb 0.47 -0.03 0.04 0.00 -0.38 0.00 0.00 39.34 39.44 2kq2 n TYR 78 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2kq2 h ALA 79 N 4.17 0.61 -0.19 -3.48 0.00 -2.03 -3.37 119.26 114.97 2kq2 h ALA 79 Ca 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2kq2 h ALA 79 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2kq2 h ALA 79 CO 0.00 0.00 -0.59 0.78 0.00 0.00 0.00 179.25 179.45 2kq2 h GLY 80 N 4.00 0.66 0.71 0.00 0.00 -1.97 -3.12 103.07 103.35 2kq2 h GLY 80 Ca -0.00 -0.80 0.06 0.00 0.00 0.00 0.00 47.33 46.59 2kq2 h GLY 80 CO 0.00 0.72 0.46 1.19 0.00 0.00 0.00 176.54 178.91 2kq2 h ILE 81 N 0.46 1.01 0.00 2.60 2.10 -1.78 -0.47 117.51 121.43 2kq2 h ILE 81 Ca 0.00 -0.29 -0.04 0.00 1.08 0.00 0.00 64.86 65.61 2kq2 h ILE 81 Cb 1.15 0.09 -0.01 0.00 -1.09 0.00 0.00 36.82 36.96 2kq2 h ILE 81 CO 0.11 0.16 -0.18 0.00 -1.08 0.00 0.00 178.15 177.16 2kq2 h ALA 82 N 1.38 0.92 -0.11 0.18 0.00 -1.79 -2.89 119.26 116.94 2kq2 h ALA 82 Ca 0.34 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 2kq2 h ALA 82 Cb 0.17 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2kq2 h ALA 82 CO -0.17 0.22 -0.67 0.35 0.00 0.00 0.00 179.25 178.98 2kq2 h PHE 83 N 0.00 0.89 -0.13 0.00 3.57 -1.06 -3.04 116.94 117.18 2kq2 h PHE 83 Ca -0.00 -0.40 -0.06 0.00 3.53 0.00 0.00 57.97 61.03 2kq2 h PHE 83 Cb 0.96 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 2kq2 h PHE 83 CO 0.00 1.21 -0.17 -1.49 -2.23 0.00 0.00 178.31 175.63 2kq2 h TRP 84 N 0.31 0.42 0.00 0.41 4.06 -1.34 -2.88 115.95 116.93 2kq2 h TRP 84 Ca -0.05 -0.14 0.00 0.00 2.06 0.00 0.00 58.89 60.76 2kq2 h TRP 84 Cb 1.31 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 29.39 2kq2 h TRP 84 CO 0.10 0.78 0.00 0.00 -3.56 0.00 0.00 178.44 175.76 2kq2 n ALA 85 N -2.44 2.09 0.19 1.49 0.00 -1.09 -1.12 120.51 119.63 2kq2 n ALA 85 Ca -0.07 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.32 2kq2 n ALA 85 Cb 0.39 -1.33 0.07 0.00 0.00 0.00 0.00 19.45 18.57 2kq2 n ALA 85 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2kq2 n THR 86 N -1.25 0.36 -1.36 0.00 -2.24 -1.15 -4.07 114.28 104.57 2kq2 n THR 86 Ca 0.10 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2kq2 n THR 86 Cb 0.15 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 2kq2 n THR 86 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kq2 n GLY 87 N 0.44 -2.64 0.15 3.38 0.00 -0.28 -4.92 105.19 101.32 2kq2 n GLY 87 Ca 0.07 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.68 2kq2 n GLY 87 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2kq2 h GLU 88 N 0.00 0.00 0.00 1.61 4.11 -1.69 -3.45 114.58 115.16 2kq2 h GLU 88 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.05 2kq2 h GLU 88 Cb 0.00 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.29 2kq2 h GLU 88 CO 0.00 0.54 -0.01 0.91 0.07 0.00 0.00 179.01 180.52 2kq2 n TRP 89 N -3.66 -2.62 -1.98 2.06 7.02 -1.26 -5.01 117.44 111.99 2kq2 n TRP 89 Ca -0.01 -1.59 -0.43 0.00 -1.02 0.00 0.00 57.50 54.46 2kq2 n TRP 89 Cb 0.59 -0.48 -0.03 0.00 -2.42 0.00 0.00 31.31 28.98 2kq2 n TRP 89 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 2kq2 s LYS 90 N -4.22 3.73 0.06 -0.99 2.47 -1.26 -4.96 119.74 114.58 2kq2 s LYS 90 Ca 0.49 1.83 -0.28 0.00 -1.56 0.00 0.00 55.97 56.46 2kq2 s LYS 90 Cb -0.04 -4.10 -0.05 0.00 -1.46 0.00 0.00 37.83 32.18 2kq2 s LYS 90 CO 0.32 -1.38 0.87 0.00 0.16 0.00 0.00 175.35 175.32 2kq2 s ALA 91 N 5.59 3.28 0.60 3.13 0.00 -1.26 -5.01 121.76 128.10 2kq2 s ALA 91 Ca 0.78 0.43 -0.16 0.00 0.00 0.00 0.00 51.96 53.01 2kq2 s ALA 91 Cb -0.28 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2kq2 s ALA 91 CO 0.32 -0.02 1.07 0.21 0.00 0.00 0.00 175.76 177.33 2kq2 s LYS 92 N 0.17 3.23 0.26 0.00 2.47 -1.26 -4.92 119.74 119.68 2kq2 s LYS 92 Ca 0.44 1.27 -0.03 0.00 -1.56 0.00 0.00 55.97 56.09 2kq2 s LYS 92 Cb -0.22 -2.02 0.53 0.00 -1.46 0.00 0.00 37.83 34.67 2kq2 s LYS 92 CO 0.26 -0.89 1.67 -0.91 0.16 0.00 0.00 175.35 175.64 2kq2 h ASN 93 N 0.44 -0.05 0.00 1.43 4.21 -2.00 -3.24 115.58 116.37 2kq2 h ASN 93 Ca -0.47 0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.21 2kq2 h ASN 93 Cb 1.23 0.24 0.00 0.00 -1.12 0.00 0.00 38.32 38.67 2kq2 h ASN 93 CO 0.57 -0.09 -0.83 1.21 -1.29 0.00 0.00 177.43 177.00 2kq2 n GLU 94 N -5.21 0.00 0.12 0.81 2.13 -1.26 -4.70 120.64 112.53 2kq2 n GLU 94 Ca 0.16 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.84 2kq2 n GLU 94 Cb 0.52 -0.73 -0.07 0.00 0.27 0.00 0.00 31.44 31.43 2kq2 n GLU 94 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 2kq2 h PHE 95 N 0.00 -1.18 -0.22 4.31 0.04 -1.98 0.93 116.94 118.85 2kq2 h PHE 95 Ca 0.00 0.03 -0.18 0.00 2.80 0.00 0.00 57.97 60.62 2kq2 h PHE 95 Cb 0.83 0.50 -0.00 0.00 2.20 0.00 0.00 35.95 39.48 2kq2 h PHE 95 CO 0.00 -0.52 -0.57 1.15 -0.60 0.00 0.00 178.31 177.77 2kq2 h THR 96 N -0.65 1.30 -0.89 -1.55 2.02 -1.91 -0.87 112.91 110.37 2kq2 h THR 96 Ca 0.02 -1.80 0.08 0.00 0.77 0.00 0.00 66.41 65.48 2kq2 h THR 96 Cb 0.68 1.74 -0.07 0.00 -1.74 0.00 0.00 68.15 68.77 2kq2 h THR 96 CO -0.24 0.57 0.54 1.56 0.37 0.00 0.00 175.52 178.32 2kq2 h GLN 97 N 0.52 0.92 -0.02 6.66 1.08 -1.49 0.24 115.11 123.02 2kq2 h GLN 97 Ca 0.00 -0.06 -0.21 0.00 -1.45 0.00 0.00 58.65 56.94 2kq2 h GLN 97 Cb 1.15 -0.21 0.02 0.00 -0.05 0.00 0.00 27.48 28.39 2kq2 h GLN 97 CO 0.12 0.61 -0.82 0.00 -0.95 0.00 0.00 178.83 177.79 2kq2 h ALA 98 N 1.44 0.13 -0.64 3.87 0.00 -0.72 -2.95 119.26 120.40 2kq2 h ALA 98 Ca 0.41 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2kq2 h ALA 98 Cb 0.27 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2kq2 h ALA 98 CO -0.21 0.54 0.24 -0.92 0.00 0.00 0.00 179.25 178.90 2kq2 h TYR 99 N 0.21 1.00 -0.16 0.00 3.20 -0.56 -0.19 116.97 120.47 2kq2 h TYR 99 Ca -0.10 -0.08 -0.10 0.00 3.14 0.00 0.00 58.73 61.59 2kq2 h TYR 99 Cb 1.49 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 2kq2 h TYR 99 CO 0.12 0.79 -0.33 0.00 -1.64 0.00 0.00 178.16 177.10 2kq2 h ALA 100 N 1.10 1.15 -0.17 1.82 0.00 -0.66 0.02 119.26 122.52 2kq2 h ALA 100 Ca 0.21 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 2kq2 h ALA 100 Cb 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2kq2 h ALA 100 CO -0.01 0.55 -0.51 -0.22 0.00 0.00 0.00 179.25 179.05 2kq2 h LYS 101 N 0.28 0.48 -0.66 0.00 1.63 -1.22 -3.03 116.57 114.05 2kq2 h LYS 101 Ca 0.04 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 2kq2 h LYS 101 Cb 0.72 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 2kq2 h LYS 101 CO 0.05 0.88 0.00 1.28 -3.45 0.00 0.00 179.45 178.21 2kq2 n LEU 102 N -3.97 4.45 0.13 5.20 4.77 -0.14 -4.30 117.00 123.14 2kq2 n LEU 102 Ca -0.03 -2.31 -0.01 0.00 -0.03 0.00 0.00 56.01 53.63 2kq2 n LEU 102 Cb 0.57 -0.54 0.21 0.00 -2.33 0.00 0.00 43.42 41.34 2kq2 n LEU 102 CO 0.46 0.86 0.57 -0.03 -1.33 0.00 0.00 177.39 177.92 2kq2 h MET 103 N 4.04 0.10 -0.33 3.23 4.05 -0.86 -2.49 114.93 122.66 2kq2 h MET 103 Ca 0.00 -0.06 0.04 0.00 -0.28 0.00 0.00 59.70 59.40 2kq2 h MET 103 Cb 1.29 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.08 2kq2 h MET 103 CO 0.15 0.60 0.22 -0.97 0.23 0.00 0.00 176.91 177.14 2kq2 h ASN 104 N 0.08 0.24 -0.28 1.39 -0.73 -1.78 0.67 115.58 115.16 2kq2 h ASN 104 Ca -0.00 -0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.18 2kq2 h ASN 104 Cb 0.95 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.46 2kq2 h ASN 104 CO 0.07 0.16 0.15 -0.61 -0.37 0.00 0.00 177.43 176.84 2kq2 h GLN 105 N 0.27 0.31 0.18 6.67 -0.00 -1.75 -3.19 115.11 117.61 2kq2 h GLN 105 Ca 0.14 -0.02 -0.34 0.00 -0.00 0.00 0.00 58.65 58.43 2kq2 h GLN 105 Cb 0.22 -0.07 0.01 0.00 0.00 0.00 0.00 27.48 27.64 2kq2 h GLN 105 CO -0.03 0.20 -1.68 -0.92 0.00 0.00 0.00 178.83 176.41 2kq2 h TYR 106 N 0.32 0.69 -2.67 3.99 3.20 -1.55 -3.44 116.97 117.51 2kq2 h TYR 106 Ca 0.11 -0.51 -0.56 0.00 3.14 0.00 0.00 58.73 60.91 2kq2 h TYR 106 Cb 0.02 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 2kq2 h TYR 106 CO -0.09 1.60 1.17 0.50 -1.64 0.00 0.00 178.16 179.71 2kq2 s ARG 107 N -2.59 3.75 0.00 1.82 3.52 0.19 -4.71 118.95 120.93 2kq2 s ARG 107 Ca -0.14 1.76 0.00 0.00 -0.13 0.00 0.00 55.73 57.22 2kq2 s ARG 107 Cb 0.06 -4.08 0.00 0.00 -1.56 0.00 0.00 34.95 29.37 2kq2 s ARG 107 CO 0.87 -1.35 0.56 0.41 -0.81 0.00 0.00 175.30 174.97 2kq2 n GLY 108 N 4.77 0.50 0.21 8.12 0.00 -1.26 -4.78 105.19 112.75 2kq2 n GLY 108 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 2kq2 n GLY 108 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kq2 h ILE 109 N 5.05 1.28 -3.94 -0.61 2.04 -1.87 -3.46 117.51 116.01 2kq2 h ILE 109 Ca 0.00 -2.10 -0.18 0.00 1.00 0.00 0.00 64.86 63.59 2kq2 h ILE 109 Cb 1.11 2.15 -0.22 0.00 -0.74 0.00 0.00 36.82 39.12 2kq2 h ILE 109 CO 0.00 0.66 -0.70 -0.72 0.00 0.00 0.00 178.15 177.39 2kq2 s TYR 110 N -3.57 0.23 0.17 1.37 -0.85 -1.25 0.01 117.35 113.45 2kq2 s TYR 110 Ca -0.10 -0.47 -0.11 0.00 -0.52 0.00 0.00 57.07 55.88 2kq2 s TYR 110 Cb 0.08 -0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.26 2kq2 s TYR 110 CO 0.91 -0.17 0.34 -1.12 -1.52 0.00 0.00 175.55 173.99 2kq2 s SER 111 N -1.31 -0.04 0.01 -0.18 0.01 -0.98 -4.94 113.70 106.26 2kq2 s SER 111 Ca -0.14 -0.75 0.02 0.00 1.31 0.00 0.00 55.95 56.39 2kq2 s SER 111 Cb -0.09 0.47 -0.01 0.00 0.21 0.00 0.00 66.02 66.60 2kq2 s SER 111 CO -0.01 -0.93 -0.07 0.72 0.41 0.00 0.00 173.24 173.36 2kq2 s PHE 112 N -3.94 0.66 -0.05 2.43 -0.71 -1.26 -1.83 117.98 113.28 2kq2 s PHE 112 Ca 0.14 -0.20 -0.02 0.00 -1.04 0.00 0.00 56.93 55.81 2kq2 s PHE 112 Cb 0.02 -0.41 0.03 0.00 -1.21 0.00 0.00 43.02 41.44 2kq2 s PHE 112 CO -0.01 -0.02 0.10 -2.00 -1.34 0.00 0.00 175.22 171.95 2kq2 s GLU 113 N -0.48 0.07 -0.95 1.99 -6.30 -1.26 -5.07 118.70 106.70 2kq2 s GLU 113 Ca 0.00 0.24 -0.24 0.00 -2.50 0.00 0.00 54.97 52.48 2kq2 s GLU 113 Cb -0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 34.13 33.95 2kq2 s GLU 113 CO -0.00 -0.11 1.86 0.21 0.02 0.00 0.00 175.26 177.25 2kq2 s LYS 114 N 0.72 2.74 -0.33 4.30 2.47 -1.26 -4.87 119.74 123.51 2kq2 s LYS 114 Ca -0.06 -0.53 0.02 0.00 -1.56 0.00 0.00 55.97 53.85 2kq2 s LYS 114 Cb -0.08 -5.13 0.10 0.00 -1.46 0.00 0.00 37.83 31.26 2kq2 s LYS 114 CO -0.03 -3.22 0.07 0.08 0.16 0.00 0.00 175.35 172.41 2kq2 s VAL 115 N 9.25 1.63 -1.16 4.02 1.01 -1.26 -5.04 120.40 128.85 2kq2 s VAL 115 Ca 0.66 -1.91 -0.21 0.00 0.00 0.00 0.00 61.98 60.53 2kq2 s VAL 115 Cb -0.05 -2.22 0.04 0.00 0.00 0.00 0.00 36.38 34.16 2kq2 s VAL 115 CO -0.01 -0.63 1.66 -0.75 0.00 0.00 0.00 175.10 175.37 2kq2 s LYS 116 N 1.23 3.64 0.08 2.72 2.36 -1.26 -4.08 119.74 124.43 2kq2 s LYS 116 Ca 0.10 -1.50 0.00 0.00 -2.55 0.00 0.00 55.97 52.02 2kq2 s LYS 116 Cb -0.18 -5.42 0.00 0.00 -1.05 0.00 0.00 37.83 31.18 2kq2 s LYS 116 CO -0.16 -2.44 0.00 0.00 1.55 0.00 0.00 175.35 174.30 2kq2 n ALA 117 N 9.38 1.75 1.58 3.13 0.00 -1.26 -4.81 120.51 130.28 2kq2 n ALA 117 Ca 0.42 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.87 2kq2 n ALA 117 Cb 0.48 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.95 2kq2 n ALA 117 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2kq2 n HIS 118 N -2.70 0.09 -0.25 0.00 1.44 -1.26 -3.22 115.22 109.32 2kq2 n HIS 118 Ca 0.00 -0.04 0.10 0.00 -2.01 0.00 0.00 57.72 55.78 2kq2 n HIS 118 Cb 0.00 -0.03 0.31 0.00 0.12 0.00 0.00 29.99 30.39 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 -0.25 3.88 -1.71 4.39 7.64 -1.26 -4.08 113.62 122.23 2kq2 n SER 119 Ca 0.02 -2.12 0.02 0.00 1.01 0.00 0.00 58.87 57.80 2kq2 n SER 119 Cb 0.11 -0.49 0.05 0.00 -1.01 0.00 0.00 64.21 62.88 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 1.45 1.82 3.96 0.23 0.00 -1.20 -4.89 105.19 106.56 2kq2 n GLY 120 Ca 0.23 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 2kq2 n GLY 120 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kq2 s ASN 121 N -2.59 5.56 0.42 1.61 2.47 -1.26 -4.96 114.94 116.19 2kq2 s ASN 121 Ca 0.34 0.22 0.13 0.00 0.42 0.00 0.00 52.86 53.96 2kq2 s ASN 121 Cb 0.37 -1.28 0.98 0.00 -1.45 0.00 0.00 41.25 39.87 2kq2 s ASN 121 CO -0.12 -0.94 1.95 -0.08 -3.72 0.00 0.00 177.10 174.19 2kq2 h GLU 122 N 0.18 0.47 0.00 0.43 4.57 -1.99 -0.11 114.58 118.14 2kq2 h GLU 122 Ca -0.44 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 57.66 2kq2 h GLU 122 Cb 1.27 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 2kq2 h GLU 122 CO 0.56 0.31 -0.22 0.74 -1.18 0.00 0.00 179.01 179.22 2kq2 h PHE 123 N 0.48 0.00 -0.64 0.92 -1.00 -1.96 -2.70 116.94 112.04 2kq2 h PHE 123 Ca 0.32 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 61.05 2kq2 h PHE 123 Cb 0.58 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.12 2kq2 h PHE 123 CO -0.00 0.22 0.22 -0.91 -1.61 0.00 0.00 178.31 176.23 2kq2 h ASN 124 N 0.00 0.89 0.54 2.17 4.21 -1.32 -1.90 115.58 120.18 2kq2 h ASN 124 Ca -0.00 -0.14 -0.11 0.00 1.21 0.00 0.00 56.30 57.25 2kq2 h ASN 124 Cb 0.51 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.46 2kq2 h ASN 124 CO 0.03 0.83 -0.54 -0.78 -1.29 0.00 0.00 177.43 175.67 2kq2 h ASP 125 N 0.94 0.00 0.04 5.81 3.58 -1.55 -0.72 116.42 124.52 2kq2 h ASP 125 Ca 0.21 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 2kq2 h ASP 125 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2kq2 h ASP 125 CO -0.01 0.54 -0.02 0.22 -2.88 0.00 0.00 179.24 177.09 2kq2 h TYR 126 N 0.00 -0.05 0.01 0.28 3.20 -1.28 0.07 116.97 119.20 2kq2 h TYR 126 Ca -0.01 -0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.67 2kq2 h TYR 126 Cb 0.96 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 2kq2 h TYR 126 CO 0.00 -0.01 -0.87 -0.24 -1.64 0.00 0.00 178.16 175.40 2kq2 h VAL 127 N -0.07 1.54 -0.13 1.81 3.04 -1.46 -2.04 116.25 118.93 2kq2 h VAL 127 Ca -0.01 -2.74 0.02 0.00 -1.01 0.00 0.00 66.70 62.96 2kq2 h VAL 127 Cb 0.06 2.51 -0.02 0.00 -2.01 0.00 0.00 31.29 31.83 2kq2 h VAL 127 CO 0.01 0.79 -0.01 -0.78 -1.01 0.00 0.00 177.57 176.57 2kq2 h ASP 128 N 0.06 -0.08 0.56 3.17 3.58 -0.88 -0.92 116.42 121.90 2kq2 h ASP 128 Ca -0.03 0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 2kq2 h ASP 128 Cb 1.50 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.60 2kq2 h ASP 128 CO 0.12 -0.02 -0.58 0.00 -2.88 0.00 0.00 179.24 175.89 2kq2 h MET 129 N 0.03 0.02 0.26 0.28 -0.00 -1.02 -0.78 114.93 113.73 2kq2 h MET 129 Ca 0.06 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.74 2kq2 h MET 129 Cb 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.68 2kq2 h MET 129 CO -0.12 0.59 -0.18 -0.22 -0.00 0.00 0.00 176.91 176.98 2kq2 h LYS 130 N 0.02 -0.43 -0.06 -0.10 3.11 -0.68 -0.31 116.57 118.12 2kq2 h LYS 130 Ca -0.01 0.03 -0.13 0.00 -2.81 0.00 0.00 60.65 57.73 2kq2 h LYS 130 Cb 1.03 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.34 2kq2 h LYS 130 CO 0.08 -0.29 -0.55 0.00 -2.81 0.00 0.00 179.45 175.88 2kq2 h ALA 131 N 0.26 0.97 -0.64 5.00 0.00 -1.20 -3.02 119.26 120.63 2kq2 h ALA 131 Ca -0.02 -0.51 0.07 0.00 0.00 0.00 0.00 54.91 54.45 2kq2 h ALA 131 Cb 0.38 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2kq2 h ALA 131 CO 0.01 0.69 0.43 -0.22 0.00 0.00 0.00 179.25 180.16 2kq2 h LYS 132 N 0.13 0.61 -0.16 0.00 3.64 -0.69 -1.19 116.57 118.91 2kq2 h LYS 132 Ca -0.00 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 2kq2 h LYS 132 Cb 1.02 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 2kq2 h LYS 132 CO 0.08 0.40 -0.21 0.77 -2.27 0.00 0.00 179.45 178.22 2kq2 h SER 133 N 0.62 0.27 0.61 4.20 0.02 -0.93 -1.14 113.55 117.21 2kq2 h SER 133 Ca 0.28 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2kq2 h SER 133 Cb 0.30 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2kq2 h SER 133 CO -0.09 0.50 0.00 0.00 -1.14 0.00 0.00 176.83 176.10 2kq2 n ALA 134 N -2.48 2.28 1.06 3.77 0.00 -0.46 -2.59 120.51 122.08 2kq2 n ALA 134 Ca -0.01 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.43 2kq2 n ALA 134 Cb 0.34 -1.42 0.09 0.00 0.00 0.00 0.00 19.45 18.46 2kq2 n ALA 134 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kq2 n LEU 135 N -1.35 1.62 0.00 0.00 4.77 -0.45 -4.94 117.00 116.64 2kq2 n LEU 135 Ca 0.11 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 2kq2 n LEU 135 Cb 0.24 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2kq2 n LEU 135 CO 0.21 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2kq2 n GLY 136 N 1.41 0.20 3.64 -0.72 0.00 -1.07 -5.05 105.19 103.61 2kq2 n GLY 136 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 4.86 -0.65 -0.61 1.01 -1.06 -3.62 121.20 119.13 2kq2 s ILE 137 Ca 0.00 1.50 -0.01 0.00 0.00 0.00 0.00 60.65 62.14 2kq2 s ILE 137 Cb 0.00 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 38.37 2kq2 s ILE 137 CO 0.00 -0.06 0.55 -1.14 0.00 0.00 0.00 174.94 174.29 2kq2 n ARG 138 N 5.96 -2.87 -3.95 2.79 0.63 -1.26 -3.64 116.66 114.32 2kq2 n ARG 138 Ca 0.05 0.49 -0.09 0.00 -0.92 0.00 0.00 57.85 57.37 2kq2 n ARG 138 Cb 0.48 -4.25 -0.09 0.00 0.45 0.00 0.00 32.46 29.05 2kq2 n ARG 138 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 2kq2 s ASP 139 N -3.57 0.23 0.17 6.15 1.47 -1.24 -4.84 116.67 115.05 2kq2 s ASP 139 Ca 0.09 -0.66 0.02 0.00 1.18 0.00 0.00 52.55 53.18 2kq2 s ASP 139 Cb -0.01 0.24 0.04 0.00 -0.34 0.00 0.00 42.92 42.85 2kq2 s ASP 139 CO 0.42 -0.57 1.41 0.25 0.68 0.00 0.00 175.17 177.35 2kq2 h LEU 140 N 3.38 0.31 -3.25 2.11 7.12 -1.96 -3.28 115.31 119.74 2kq2 h LEU 140 Ca -0.33 -0.23 0.00 0.00 0.13 0.00 0.00 57.88 57.44 2kq2 h LEU 140 Cb 1.18 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.21 2kq2 h LEU 140 CO 0.55 1.00 0.00 1.21 -0.13 0.00 0.00 178.44 181.07 2kq2 n GLU 141 N -3.73 3.98 -1.83 1.25 2.13 -1.26 -4.90 120.64 116.28 2kq2 n GLU 141 Ca -0.04 -2.94 -0.41 0.00 0.66 0.00 0.00 57.16 54.42 2kq2 n GLU 141 Cb 0.76 -1.97 -0.02 0.00 0.27 0.00 0.00 31.44 30.49 2kq2 n GLU 141 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2kq2 s HIS 142 N -2.11 2.81 0.00 4.31 2.46 -1.24 -4.20 115.29 117.32 2kq2 s HIS 142 Ca 0.51 0.83 0.00 0.00 0.47 0.00 0.00 55.06 56.87 2kq2 s HIS 142 Cb 0.35 -4.02 0.00 0.00 -0.13 0.00 0.00 32.58 28.78 2kq2 s HIS 142 CO 0.21 -3.41 0.00 1.58 -2.47 0.00 0.00 174.74 170.66 2kq2 n HIS 143 N 2.24 0.00 -2.67 3.88 -0.00 -1.26 -4.89 115.22 112.52 2kq2 n HIS 143 Ca 0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.72 2kq2 n HIS 143 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.37 2kq2 n HIS 143 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kq2 n HIS 144 N 0.00 -0.65 0.10 1.57 -0.00 -1.26 -4.83 115.22 110.15 2kq2 n HIS 144 Ca 0.00 0.27 0.06 0.00 -0.00 0.00 0.00 57.72 58.05 2kq2 n HIS 144 Cb 0.00 -0.77 0.12 0.00 -0.00 0.00 0.00 29.99 29.34 2kq2 n HIS 144 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kq2 n HIS 145 N -0.93 0.30 0.00 4.41 -0.00 -1.26 -5.01 115.22 112.73 2kq2 n HIS 145 Ca -0.09 -0.29 0.00 0.00 -0.00 0.00 0.00 57.72 57.34 2kq2 n HIS 145 Cb 0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.19 2kq2 n HIS 145 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kq2 n HIS 146 N 0.66 0.00 0.16 4.41 -0.00 -1.26 -5.30 115.22 113.90 2kq2 n HIS 146 Ca 0.11 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.85 2kq2 n HIS 146 Cb 0.39 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.40 2kq2 n HIS 146 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92