#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 -0.18 0.00 6.12 -1.08 -1.26 -5.02 116.67 115.25 2kq2 s ASP 2 Ca 0.00 0.37 0.15 0.00 -0.52 0.00 0.00 52.55 52.54 2kq2 s ASP 2 Cb 0.00 0.33 0.24 0.00 -1.46 0.00 0.00 42.92 42.03 2kq2 s ASP 2 CO 0.00 -0.09 1.08 -0.90 0.52 0.00 0.00 175.17 175.78 2kq2 n ASP 3 N 3.42 0.52 -0.17 -0.34 5.75 -1.26 -4.71 116.55 119.76 2kq2 n ASP 3 Ca -0.17 -1.97 0.15 0.00 -0.01 0.00 0.00 54.79 52.78 2kq2 n ASP 3 Cb 0.56 -0.23 0.69 0.00 -1.03 0.00 0.00 41.12 41.11 2kq2 n ASP 3 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2kq2 n ARG 4 N 0.28 1.01 -3.85 0.11 1.74 -1.26 -4.63 116.66 110.07 2kq2 n ARG 4 Ca 0.02 -0.34 -0.34 0.00 -0.77 0.00 0.00 57.85 56.42 2kq2 n ARG 4 Cb 0.95 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.77 2kq2 n ARG 4 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2kq2 s THR 5 N -2.22 3.05 0.24 0.55 -4.23 -1.26 -5.00 115.64 106.77 2kq2 s THR 5 Ca 0.37 -2.57 0.00 0.00 -1.18 0.00 0.00 61.69 58.30 2kq2 s THR 5 Cb 0.21 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.95 2kq2 s THR 5 CO 0.41 -0.74 0.00 1.21 -0.54 0.00 0.00 174.62 174.96 2kq2 n GLU 6 N 3.98 -4.16 -4.36 3.99 2.13 -1.26 -4.99 120.64 115.96 2kq2 n GLU 6 Ca 0.03 3.02 -0.34 0.00 0.66 0.00 0.00 57.16 60.54 2kq2 n GLU 6 Cb 0.39 -3.24 -0.13 0.00 0.27 0.00 0.00 31.44 28.73 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 -1.19 3.00 -0.40 4.31 2.02 -1.03 -5.01 117.35 119.05 2kq2 s TYR 7 Ca 0.00 -0.41 -0.12 0.00 -0.37 0.00 0.00 57.07 56.17 2kq2 s TYR 7 Cb 0.00 -1.97 0.04 0.00 -0.40 0.00 0.00 41.96 39.63 2kq2 s TYR 7 CO 0.00 -0.13 0.25 0.34 -1.57 0.00 0.00 175.55 174.44 2kq2 s ASP 8 N 0.54 5.81 -0.09 2.29 2.15 -1.26 -3.06 116.67 123.05 2kq2 s ASP 8 Ca -0.03 -1.11 -0.12 0.00 0.43 0.00 0.00 52.55 51.71 2kq2 s ASP 8 Cb -0.14 -2.05 -0.05 0.00 -0.30 0.00 0.00 42.92 40.38 2kq2 s ASP 8 CO 0.03 -0.45 0.29 -0.69 -0.17 0.00 0.00 175.17 174.18 2kq2 s VAL 9 N 1.55 5.26 0.59 1.11 1.01 -1.26 -4.64 120.40 124.02 2kq2 s VAL 9 Ca 0.03 0.56 0.02 0.00 0.00 0.00 0.00 61.98 62.59 2kq2 s VAL 9 Cb -0.20 -3.60 0.06 0.00 0.00 0.00 0.00 36.38 32.64 2kq2 s VAL 9 CO 0.06 0.53 0.82 -0.31 0.00 0.00 0.00 175.10 176.21 2kq2 s TYR 10 N -0.56 2.43 -0.07 5.22 2.02 -0.92 -4.91 117.35 120.57 2kq2 s TYR 10 Ca 0.19 -0.15 -0.05 0.00 -0.37 0.00 0.00 57.07 56.69 2kq2 s TYR 10 Cb -0.14 -2.76 0.02 0.00 -0.40 0.00 0.00 41.96 38.67 2kq2 s TYR 10 CO 0.08 -1.09 0.10 2.41 -1.57 0.00 0.00 175.55 175.47 2kq2 n THR 11 N -2.44 -9.20 0.34 -0.71 -1.04 -1.26 -3.27 114.28 96.70 2kq2 n THR 11 Ca 0.10 1.84 0.15 0.00 -2.04 0.00 0.00 64.05 64.10 2kq2 n THR 11 Cb 0.60 -5.24 0.60 0.00 -1.82 0.00 0.00 70.33 64.47 2kq2 n THR 11 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2kq2 h ASP 12 N 2.59 0.00 -1.23 8.00 3.58 -1.89 -3.44 116.42 124.04 2kq2 h ASP 12 Ca -0.23 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.17 2kq2 h ASP 12 Cb 0.51 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.58 2kq2 h ASP 12 CO 0.00 0.00 -0.09 0.61 -2.88 0.00 0.00 179.24 176.89 2kq2 n GLY 13 N -0.00 0.58 3.92 -0.78 0.00 -1.26 -3.46 105.19 104.18 2kq2 n GLY 13 Ca 0.01 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 2kq2 n GLY 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kq2 s SER 14 N -2.98 6.39 0.38 1.61 1.04 -1.26 -4.80 113.70 114.07 2kq2 s SER 14 Ca 0.05 0.35 -0.27 0.00 0.48 0.00 0.00 55.95 56.55 2kq2 s SER 14 Cb -0.02 -1.99 -0.10 0.00 0.10 0.00 0.00 66.02 64.01 2kq2 s SER 14 CO 0.07 0.08 1.36 -0.72 0.98 0.00 0.00 173.24 175.01 2kq2 s TYR 15 N -1.66 2.80 -0.17 5.02 1.13 -1.26 -4.72 117.35 118.50 2kq2 s TYR 15 Ca 0.37 1.33 0.01 0.00 -1.41 0.00 0.00 57.07 57.37 2kq2 s TYR 15 Cb -0.12 -3.79 0.02 0.00 -1.10 0.00 0.00 41.96 36.97 2kq2 s TYR 15 CO 0.28 -2.33 -0.20 0.54 -2.51 0.00 0.00 175.55 171.33 2kq2 s VAL 16 N -1.18 2.00 -1.83 -3.49 0.11 -0.22 -4.71 120.40 111.08 2kq2 s VAL 16 Ca 0.53 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 2kq2 s VAL 16 Cb -0.41 -1.81 0.00 0.00 -1.53 0.00 0.00 36.38 32.63 2kq2 s VAL 16 CO 0.55 0.53 0.00 0.59 -3.33 0.00 0.00 175.10 173.44 2kq2 n ASN 17 N 4.55 -5.69 0.00 3.54 5.03 -1.26 -1.76 115.26 119.67 2kq2 n ASN 17 Ca -0.20 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.35 2kq2 n ASN 17 Cb 0.50 -4.77 0.00 0.00 -1.02 0.00 0.00 39.78 34.49 2kq2 n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2kq2 n GLY 18 N -0.89 1.53 3.54 7.41 0.00 -1.26 -5.04 105.19 110.47 2kq2 n GLY 18 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 2kq2 n GLY 18 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kq2 s GLN 19 N -0.95 3.79 -0.13 1.61 -2.07 -0.72 -5.09 119.66 116.09 2kq2 s GLN 19 Ca 0.00 -0.44 -0.10 0.00 -1.82 0.00 0.00 55.36 53.00 2kq2 s GLN 19 Cb 0.00 -3.15 -0.05 0.00 -1.09 0.00 0.00 33.01 28.72 2kq2 s GLN 19 CO 0.00 0.13 0.20 -0.47 -1.32 0.00 0.00 175.29 173.83 2kq2 s TYR 20 N 0.73 3.54 0.03 9.60 5.04 -1.26 -1.06 117.35 133.96 2kq2 s TYR 20 Ca 0.02 0.55 -0.16 0.00 -2.44 0.00 0.00 57.07 55.04 2kq2 s TYR 20 Cb -0.14 -2.13 0.03 0.00 0.35 0.00 0.00 41.96 40.07 2kq2 s TYR 20 CO 0.02 0.50 0.35 0.00 -1.34 0.00 0.00 175.55 175.08 2kq2 s ALA 21 N -0.36 -0.84 -0.15 3.97 0.00 -1.26 -4.73 121.76 118.40 2kq2 s ALA 21 Ca 0.15 0.21 -0.14 0.00 0.00 0.00 0.00 51.96 52.17 2kq2 s ALA 21 Cb -0.13 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 2kq2 s ALA 21 CO 0.04 -0.39 0.32 1.67 0.00 0.00 0.00 175.76 177.40 2kq2 s TRP 22 N -2.20 3.48 0.01 0.00 1.48 0.37 -4.68 118.94 117.40 2kq2 s TRP 22 Ca -0.07 0.66 -0.04 0.00 -1.06 0.00 0.00 56.10 55.58 2kq2 s TRP 22 Cb -0.02 -2.36 -0.01 0.00 -1.16 0.00 0.00 33.47 29.92 2kq2 s TRP 22 CO -0.01 0.25 0.06 0.00 -4.06 0.00 0.00 176.95 173.20 2kq2 s ALA 23 N 0.40 -0.13 -0.06 2.67 0.00 -1.26 -1.42 121.76 121.95 2kq2 s ALA 23 Ca 0.18 -0.32 -0.07 0.00 0.00 0.00 0.00 51.96 51.74 2kq2 s ALA 23 Cb -0.13 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.13 2kq2 s ALA 23 CO 0.05 -0.19 0.19 0.71 0.00 0.00 0.00 175.76 176.53 2kq2 s TYR 24 N -1.40 -0.16 -0.27 0.00 2.02 -1.14 -4.26 117.35 112.14 2kq2 s TYR 24 Ca -0.15 0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 56.90 2kq2 s TYR 24 Cb -0.09 0.05 0.09 0.00 -0.40 0.00 0.00 41.96 41.61 2kq2 s TYR 24 CO 0.00 -0.16 0.09 0.00 -1.57 0.00 0.00 175.55 173.92 2kq2 s ALA 25 N -0.30 1.04 -0.32 3.71 0.00 -1.20 -3.27 121.76 121.41 2kq2 s ALA 25 Ca -0.04 -1.17 -0.19 0.00 0.00 0.00 0.00 51.96 50.56 2kq2 s ALA 25 Cb -0.03 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.68 2kq2 s ALA 25 CO 0.01 -1.52 0.58 -0.06 0.00 0.00 0.00 175.76 174.78 2kq2 s PHE 26 N 1.87 3.20 0.01 0.00 0.40 -1.24 -2.16 117.98 120.06 2kq2 s PHE 26 Ca 0.07 0.44 0.08 0.00 -0.60 0.00 0.00 56.93 56.91 2kq2 s PHE 26 Cb -0.17 -2.97 -0.03 0.00 0.51 0.00 0.00 43.02 40.37 2kq2 s PHE 26 CO -0.24 -0.49 -0.22 0.54 0.70 0.00 0.00 175.22 175.50 2kq2 s VAL 27 N 2.53 2.43 -0.01 -0.44 0.11 -1.26 -1.50 120.40 122.26 2kq2 s VAL 27 Ca 0.23 -1.17 0.01 0.00 -2.93 0.00 0.00 61.98 58.12 2kq2 s VAL 27 Cb -0.15 -1.95 0.01 0.00 -1.53 0.00 0.00 36.38 32.76 2kq2 s VAL 27 CO 0.12 0.44 -0.01 -1.59 -3.33 0.00 0.00 175.10 170.73 2kq2 s LYS 28 N -1.07 0.24 -1.20 1.54 -2.85 0.70 -4.66 119.74 112.45 2kq2 s LYS 28 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 55.97 55.07 2kq2 s LYS 28 Cb -0.10 -0.31 0.00 0.00 -2.06 0.00 0.00 37.83 35.35 2kq2 s LYS 28 CO 0.02 -0.02 0.00 -3.47 0.10 0.00 0.00 175.35 171.98 2kq2 n ASP 29 N 3.47 -5.47 0.00 0.03 2.03 -1.26 -0.93 116.55 114.43 2kq2 n ASP 29 Ca -0.18 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.40 2kq2 n ASP 29 Cb 0.55 -3.96 0.00 0.00 -0.72 0.00 0.00 41.12 37.00 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 -0.12 0.31 3.50 0.27 0.00 -1.26 -5.05 105.19 102.83 2kq2 n GLY 30 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.90 3.50 0.07 1.61 -0.14 -0.11 -5.05 119.74 118.73 2kq2 s LYS 31 Ca 0.00 -0.54 -0.30 0.00 -1.36 0.00 0.00 55.97 53.77 2kq2 s LYS 31 Cb 0.00 -2.83 -0.05 0.00 -1.68 0.00 0.00 37.83 33.27 2kq2 s LYS 31 CO 0.00 0.30 1.01 0.54 -0.76 0.00 0.00 175.35 176.45 2kq2 s VAL 32 N 0.18 4.50 -0.08 3.17 0.11 -1.26 -0.22 120.40 126.80 2kq2 s VAL 32 Ca -0.03 1.95 -0.06 0.00 -2.93 0.00 0.00 61.98 60.91 2kq2 s VAL 32 Cb -0.14 -4.24 -0.04 0.00 -1.53 0.00 0.00 36.38 30.43 2kq2 s VAL 32 CO 0.03 0.24 0.25 -0.74 -3.33 0.00 0.00 175.10 171.55 2kq2 h HIS 33 N 6.08 -0.18 -3.59 1.54 2.76 -1.63 -3.47 115.15 116.66 2kq2 h HIS 33 Ca -0.42 -0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 57.55 2kq2 h HIS 33 Cb 1.21 0.06 -0.25 0.00 1.55 0.00 0.00 27.41 29.98 2kq2 h HIS 33 CO 0.66 -0.08 -0.61 0.71 -1.30 0.00 0.00 177.93 177.31 2kq2 s TYR 34 N -2.21 -0.02 -0.03 5.26 2.02 -1.26 -5.10 117.35 116.02 2kq2 s TYR 34 Ca -0.03 0.05 0.00 0.00 -0.37 0.00 0.00 57.07 56.72 2kq2 s TYR 34 Cb 0.00 -0.02 0.03 0.00 -0.40 0.00 0.00 41.96 41.57 2kq2 s TYR 34 CO 0.11 -0.11 0.00 -1.83 -1.57 0.00 0.00 175.55 172.15 2kq2 s GLU 35 N -0.45 0.28 0.29 -0.62 1.03 -1.26 -3.62 118.70 114.34 2kq2 s GLU 35 Ca -0.05 0.08 -0.18 0.00 0.03 0.00 0.00 54.97 54.85 2kq2 s GLU 35 Cb -0.03 -0.47 0.02 0.00 -0.80 0.00 0.00 34.13 32.84 2kq2 s GLU 35 CO 0.00 -0.14 0.67 0.34 -1.33 0.00 0.00 175.26 174.80 2kq2 s ASP 36 N 1.03 -0.16 -0.03 0.83 -1.08 -1.20 -4.96 116.67 111.10 2kq2 s ASP 36 Ca -0.10 -0.77 -0.24 0.00 -0.52 0.00 0.00 52.55 50.92 2kq2 s ASP 36 Cb -0.13 0.71 0.05 0.00 -1.46 0.00 0.00 42.92 42.09 2kq2 s ASP 36 CO -0.02 -1.34 0.53 0.00 0.52 0.00 0.00 175.17 174.86 2kq2 s ALA 37 N -3.73 -1.37 0.32 3.66 0.00 -1.26 -2.90 121.76 116.47 2kq2 s ALA 37 Ca 0.15 0.89 -0.04 0.00 0.00 0.00 0.00 51.96 52.95 2kq2 s ALA 37 Cb -0.05 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.14 2kq2 s ALA 37 CO 0.08 -0.34 0.45 0.34 0.00 0.00 0.00 175.76 176.29 2kq2 s ASP 38 N -1.32 0.66 0.07 0.00 -1.08 -0.51 -4.90 116.67 109.58 2kq2 s ASP 38 Ca -0.11 -1.37 0.09 0.00 -0.52 0.00 0.00 52.55 50.63 2kq2 s ASP 38 Cb -0.02 0.63 -0.03 0.00 -1.46 0.00 0.00 42.92 42.04 2kq2 s ASP 38 CO 0.07 -1.24 -0.22 -0.69 0.52 0.00 0.00 175.17 173.61 2kq2 s VAL 39 N -3.31 2.52 0.00 1.11 1.01 -1.26 -0.48 120.40 119.99 2kq2 s VAL 39 Ca 0.29 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.89 2kq2 s VAL 39 Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.32 2kq2 s VAL 39 CO 0.17 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2kq2 n GLY 40 N 1.41 -2.99 3.47 4.51 0.00 -1.26 -4.91 105.19 105.42 2kq2 n GLY 40 Ca -0.17 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 2kq2 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kq2 s LYS 41 N -2.51 3.40 0.11 1.61 1.02 -1.26 -4.88 119.74 117.23 2kq2 s LYS 41 Ca 0.00 -1.29 0.08 0.00 0.02 0.00 0.00 55.97 54.78 2kq2 s LYS 41 Cb 0.00 -4.69 -0.04 0.00 -0.52 0.00 0.00 37.83 32.58 2kq2 s LYS 41 CO 0.00 -1.86 -0.20 -0.80 -0.92 0.00 0.00 175.35 171.58 2kq2 s ASN 42 N 3.82 2.49 0.39 2.83 0.01 -1.26 -5.03 114.94 118.20 2kq2 s ASN 42 Ca 0.30 -0.72 0.06 0.00 -0.71 0.00 0.00 52.86 51.79 2kq2 s ASN 42 Cb -0.09 -0.13 0.80 0.00 0.41 0.00 0.00 41.25 42.23 2kq2 s ASN 42 CO -0.01 0.02 2.03 -0.65 -1.51 0.00 0.00 177.10 176.97 2kq2 h PRO 43 N 3.89 0.64 0.00 -0.60 0.11 -2.02 0.58 132.00 134.60 2kq2 h PRO 43 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kq2 h PRO 43 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2kq2 h PRO 43 CO 0.42 0.42 0.00 0.00 -0.21 0.00 0.00 178.00 178.63 2kq2 n ALA 44 N -2.47 2.12 0.16 -0.75 0.00 -1.26 -2.76 120.51 115.55 2kq2 n ALA 44 Ca 0.06 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.53 2kq2 n ALA 44 Cb 0.10 -1.39 0.25 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.48 2.41 -0.25 0.00 0.00 0.18 -4.31 120.51 117.06 2kq2 n ALA 45 Ca 0.06 -1.06 0.06 0.00 0.00 0.00 0.00 53.44 52.50 2kq2 n ALA 45 Cb 0.27 -0.91 0.19 0.00 0.00 0.00 0.00 19.45 19.00 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 4.45 0.98 0.00 0.00 0.00 -1.39 -3.20 119.26 120.10 2kq2 h ALA 46 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2kq2 h ALA 46 Cb 0.96 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2kq2 h ALA 46 CO 0.00 -0.33 -0.70 2.41 0.00 0.00 0.00 179.25 180.63 2kq2 n THR 47 N -5.14 1.32 0.00 0.00 -1.04 -1.26 -4.18 114.28 103.98 2kq2 n THR 47 Ca 0.15 0.21 0.00 0.00 -2.04 0.00 0.00 64.05 62.36 2kq2 n THR 47 Cb 0.47 -2.28 0.00 0.00 -1.82 0.00 0.00 70.33 66.69 2kq2 n THR 47 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 2kq2 n MET 48 N -4.32 0.00 0.00 -2.82 1.56 -1.21 -3.39 117.12 106.94 2kq2 n MET 48 Ca -0.10 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.33 2kq2 n MET 48 Cb 0.36 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.73 2kq2 n MET 48 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 2kq2 n ARG 49 N 0.00 0.00 0.00 2.12 0.63 -1.26 -5.04 116.66 113.10 2kq2 n ARG 49 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2kq2 n ARG 49 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2kq2 n ARG 49 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2kq2 n ASN 50 N -2.29 0.00 0.13 6.15 2.85 -1.22 -4.97 115.26 115.92 2kq2 n ASN 50 Ca 0.00 -0.09 0.15 0.00 -0.11 0.00 0.00 54.58 54.53 2kq2 n ASN 50 Cb 0.00 0.00 0.68 0.00 1.24 0.00 0.00 39.78 41.70 2kq2 n ASN 50 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2kq2 h VAL 51 N 0.09 0.82 0.00 3.44 2.07 -1.89 -2.17 116.25 118.60 2kq2 h VAL 51 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2kq2 h VAL 51 Cb 0.04 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2kq2 h VAL 51 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2kq2 h ALA 52 N 1.86 1.00 0.33 1.67 0.00 -1.74 -3.12 119.26 119.26 2kq2 h ALA 52 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2kq2 h ALA 52 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kq2 h ALA 52 CO -0.00 0.00 -0.16 0.78 0.00 0.00 0.00 179.25 179.87 2kq2 h GLY 53 N 1.08 -0.46 1.84 0.00 0.00 -1.77 -1.48 103.07 102.27 2kq2 h GLY 53 Ca 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.45 2kq2 h GLY 53 CO 0.00 -0.17 -0.18 0.83 0.00 0.00 0.00 176.54 177.02 2kq2 h GLU 54 N -0.45 0.20 -0.48 4.80 4.39 -1.78 -2.45 114.58 118.80 2kq2 h GLU 54 Ca -0.05 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.63 2kq2 h GLU 54 Cb 0.35 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 2kq2 h GLU 54 CO 0.07 0.38 0.28 0.82 -1.16 0.00 0.00 179.01 179.40 2kq2 h ILE 55 N 0.19 1.03 -0.45 3.13 1.08 -1.50 0.96 117.51 121.94 2kq2 h ILE 55 Ca 0.04 -0.19 -0.09 0.00 -0.39 0.00 0.00 64.86 64.22 2kq2 h ILE 55 Cb 0.44 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 2kq2 h ILE 55 CO 0.03 0.10 -0.10 0.00 -0.69 0.00 0.00 178.15 177.49 2kq2 h ALA 56 N 1.23 0.97 -0.54 1.87 0.00 -0.90 -1.31 119.26 120.58 2kq2 h ALA 56 Ca 0.20 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2kq2 h ALA 56 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2kq2 h ALA 56 CO -0.10 0.61 -0.04 0.00 0.00 0.00 0.00 179.25 179.72 2kq2 h ALA 57 N 1.15 0.91 -0.33 0.00 0.00 -0.96 -3.02 119.26 117.01 2kq2 h ALA 57 Ca 0.13 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 2kq2 h ALA 57 Cb 0.59 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2kq2 h ALA 57 CO 0.04 0.64 -0.46 0.00 0.00 0.00 0.00 179.25 179.47 2kq2 h ALA 58 N 1.08 0.55 0.21 0.00 0.00 -0.58 -2.94 119.26 117.59 2kq2 h ALA 58 Ca 0.15 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.59 2kq2 h ALA 58 Cb 0.56 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2kq2 h ALA 58 CO 0.03 0.68 -0.37 1.25 0.00 0.00 0.00 179.25 180.84 2kq2 h LEU 59 N 0.69 -1.04 -1.33 0.00 5.85 -1.12 0.14 115.31 118.50 2kq2 h LEU 59 Ca 0.04 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 2kq2 h LEU 59 Cb 1.06 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 2kq2 h LEU 59 CO 0.11 -0.47 -0.33 1.88 -0.34 0.00 0.00 178.44 179.28 2kq2 h TYR 60 N -0.66 0.00 -0.18 1.25 -1.99 -1.63 -1.73 116.97 112.03 2kq2 h TYR 60 Ca 0.01 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 2kq2 h TYR 60 Cb 0.65 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.37 2kq2 h TYR 60 CO -0.28 0.33 0.02 0.00 -0.00 0.00 0.00 178.16 178.23 2kq2 h ALA 61 N 1.67 0.24 -0.75 3.88 0.00 -1.20 -2.54 119.26 120.55 2kq2 h ALA 61 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2kq2 h ALA 61 Cb 0.61 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2kq2 h ALA 61 CO 0.04 -0.07 0.40 0.28 0.00 0.00 0.00 179.25 179.90 2kq2 h VAL 62 N 0.08 1.22 -0.72 0.00 2.07 -0.38 0.27 116.25 118.79 2kq2 h VAL 62 Ca 0.05 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.05 2kq2 h VAL 62 Cb 0.35 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 2kq2 h VAL 62 CO 0.01 0.25 0.43 0.11 0.02 0.00 0.00 177.57 178.39 2kq2 h LYS 63 N 1.05 0.78 0.03 1.57 1.57 -1.16 -2.07 116.57 118.34 2kq2 h LYS 63 Ca 0.26 -0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.77 2kq2 h LYS 63 Cb 0.04 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 2kq2 h LYS 63 CO -0.04 0.52 -0.98 0.87 -0.57 0.00 0.00 179.45 179.24 2kq2 h LYS 64 N 0.80 0.28 -0.27 3.15 1.79 -1.01 -3.28 116.57 118.04 2kq2 h LYS 64 Ca 0.31 -0.34 0.08 0.00 -2.18 0.00 0.00 60.65 58.52 2kq2 h LYS 64 Cb 0.14 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 2kq2 h LYS 64 CO -0.16 1.07 0.24 0.00 -1.08 0.00 0.00 179.45 179.52 2kq2 h ALA 65 N 0.81 2.03 -0.79 3.86 0.00 0.21 -2.42 119.26 122.95 2kq2 h ALA 65 Ca -0.07 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 54.99 2kq2 h ALA 65 Cb 1.64 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.35 2kq2 h ALA 65 CO 0.16 -0.38 0.31 0.66 0.00 0.00 0.00 179.25 180.00 2kq2 h SER 66 N 0.00 0.26 0.47 0.00 4.64 -1.51 0.17 113.55 117.58 2kq2 h SER 66 Ca 0.13 0.12 -0.17 0.00 -0.47 0.00 0.00 61.79 61.41 2kq2 h SER 66 Cb 0.61 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 2kq2 h SER 66 CO -0.00 0.06 -0.72 -0.61 -0.87 0.00 0.00 176.83 174.70 2kq2 h GLN 67 N 0.42 0.21 0.00 4.77 4.15 -1.68 -3.12 115.11 119.85 2kq2 h GLN 67 Ca 0.45 -0.18 -0.12 0.00 0.77 0.00 0.00 58.65 59.58 2kq2 h GLN 67 Cb 0.74 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.45 2kq2 h GLN 67 CO -0.45 0.84 -0.55 -0.07 -1.93 0.00 0.00 178.83 176.67 2kq2 h LEU 68 N 0.14 0.00 -1.34 -2.39 4.07 -1.32 -3.48 115.31 111.00 2kq2 h LEU 68 Ca -0.02 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.77 2kq2 h LEU 68 Cb 1.27 0.00 0.07 0.00 1.08 0.00 0.00 40.66 43.08 2kq2 h LEU 68 CO 0.11 0.55 -0.33 0.61 -1.08 0.00 0.00 178.44 178.30 2kq2 n GLY 69 N 1.10 0.18 3.95 0.83 0.00 0.49 -5.05 105.19 106.70 2kq2 n GLY 69 Ca 0.01 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.16 4.28 -0.08 1.61 -7.23 -1.23 -5.08 120.40 109.51 2kq2 s VAL 70 Ca 0.15 -1.08 0.03 0.00 -1.81 0.00 0.00 61.98 59.27 2kq2 s VAL 70 Cb -0.07 -3.47 -0.01 0.00 0.56 0.00 0.00 36.38 33.39 2kq2 s VAL 70 CO 0.33 -0.21 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.98 2kq2 s LYS 71 N -4.08 2.88 0.15 4.82 2.36 -1.26 -4.55 119.74 120.05 2kq2 s LYS 71 Ca 0.41 -0.79 0.11 0.00 -2.55 0.00 0.00 55.97 53.16 2kq2 s LYS 71 Cb -0.09 -2.38 -0.04 0.00 -1.05 0.00 0.00 37.83 34.27 2kq2 s LYS 71 CO 0.30 0.35 -0.25 0.96 1.55 0.00 0.00 175.35 178.26 2kq2 s ILE 72 N -0.05 2.35 -0.23 5.43 -5.25 0.11 -2.47 121.20 121.09 2kq2 s ILE 72 Ca -0.05 -1.82 -0.24 0.00 -0.99 0.00 0.00 60.65 57.55 2kq2 s ILE 72 Cb -0.14 -2.07 -0.01 0.00 2.95 0.00 0.00 42.46 43.19 2kq2 s ILE 72 CO 0.04 0.03 0.82 -0.60 -1.79 0.00 0.00 174.94 173.44 2kq2 s ARG 73 N -2.26 4.19 0.15 0.37 3.52 -1.17 -1.71 118.95 122.04 2kq2 s ARG 73 Ca 0.17 0.93 -0.24 0.00 -0.13 0.00 0.00 55.73 56.45 2kq2 s ARG 73 Cb -0.09 -3.64 -0.08 0.00 -1.56 0.00 0.00 34.95 29.58 2kq2 s ARG 73 CO 0.08 -0.49 0.74 -1.50 -0.81 0.00 0.00 175.30 173.32 2kq2 s ILE 74 N 2.73 4.43 -0.07 4.11 1.10 0.14 -4.57 121.20 129.06 2kq2 s ILE 74 Ca 0.35 1.63 -0.02 0.00 -0.51 0.00 0.00 60.65 62.10 2kq2 s ILE 74 Cb -0.15 -4.10 -0.01 0.00 0.15 0.00 0.00 42.46 38.35 2kq2 s ILE 74 CO 0.08 0.53 -0.03 -0.07 -2.11 0.00 0.00 174.94 173.33 2kq2 h LEU 75 N 4.36 0.00 0.00 8.50 -0.00 -1.86 -3.38 115.31 122.94 2kq2 h LEU 75 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 2kq2 h LEU 75 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 2kq2 h LEU 75 CO 0.66 0.35 0.00 0.00 -0.00 0.00 0.00 178.44 179.45 2kq2 n HIS 76 N -3.70 -0.07 -1.55 1.13 1.44 -1.23 -4.78 115.22 106.47 2kq2 n HIS 76 Ca -0.01 0.00 -0.54 0.00 -2.01 0.00 0.00 57.72 55.16 2kq2 n HIS 76 Cb 0.05 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.09 2kq2 n HIS 76 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2kq2 n ASP 77 N -1.37 2.27 -4.05 4.39 5.75 -1.26 -4.91 116.55 117.36 2kq2 n ASP 77 Ca 0.00 0.73 -0.33 0.00 -0.01 0.00 0.00 54.79 55.18 2kq2 n ASP 77 Cb 0.00 -1.20 -0.14 0.00 -1.03 0.00 0.00 41.12 38.75 2kq2 n ASP 77 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2kq2 s TYR 78 N 5.53 3.69 -0.48 2.11 5.04 -1.26 -4.93 117.35 127.06 2kq2 s TYR 78 Ca 1.05 -2.79 0.25 0.00 -2.44 0.00 0.00 57.07 53.13 2kq2 s TYR 78 Cb -0.96 -2.96 0.98 0.00 0.35 0.00 0.00 41.96 39.36 2kq2 s TYR 78 CO 0.57 -0.95 1.74 0.00 -1.34 0.00 0.00 175.55 175.56 2kq2 h ALA 79 N 7.75 1.00 -0.19 3.97 0.00 -2.01 -3.27 119.26 126.51 2kq2 h ALA 79 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2kq2 h ALA 79 Cb 1.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2kq2 h ALA 79 CO 0.57 0.00 -0.04 0.78 0.00 0.00 0.00 179.25 180.56 2kq2 h GLY 80 N 2.55 0.14 2.00 0.00 0.00 -1.99 0.10 103.07 105.88 2kq2 h GLY 80 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 2kq2 h GLY 80 CO 0.00 -0.06 -0.19 0.16 0.00 0.00 0.00 176.54 176.44 2kq2 h ILE 81 N 0.01 0.83 0.03 2.60 -0.00 -2.00 -0.67 117.51 118.30 2kq2 h ILE 81 Ca 0.09 -0.74 -0.26 0.00 -0.00 0.00 0.00 64.86 63.94 2kq2 h ILE 81 Cb 0.13 1.44 0.02 0.00 -0.00 0.00 0.00 36.82 38.41 2kq2 h ILE 81 CO -0.19 0.19 -1.06 0.00 -0.00 0.00 0.00 178.15 177.09 2kq2 h ALA 82 N 1.81 0.17 -0.46 0.16 0.00 -1.54 -2.51 119.26 116.89 2kq2 h ALA 82 Ca -0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 54.91 54.10 2kq2 h ALA 82 Cb 0.43 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2kq2 h ALA 82 CO 0.02 0.73 -0.06 0.35 0.00 0.00 0.00 179.25 180.30 2kq2 h PHE 83 N 0.32 0.95 -0.55 0.00 3.57 -0.02 -1.95 116.94 119.26 2kq2 h PHE 83 Ca -0.13 -0.19 -0.11 0.00 3.53 0.00 0.00 57.97 61.07 2kq2 h PHE 83 Cb 1.72 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 40.20 2kq2 h PHE 83 CO 0.09 0.93 -0.10 -1.49 -2.23 0.00 0.00 178.31 175.52 2kq2 h TRP 84 N 0.70 1.16 0.00 0.41 6.55 -1.22 0.08 115.95 123.64 2kq2 h TRP 84 Ca 0.12 -0.24 -0.02 0.00 0.95 0.00 0.00 58.89 59.70 2kq2 h TRP 84 Cb 0.59 -0.29 -0.00 0.00 -0.86 0.00 0.00 29.16 28.60 2kq2 h TRP 84 CO 0.04 1.07 -0.11 0.00 -1.05 0.00 0.00 178.44 178.39 2kq2 h ALA 85 N 0.93 1.11 -0.07 1.49 0.00 -1.31 -2.62 119.26 118.79 2kq2 h ALA 85 Ca 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2kq2 h ALA 85 Cb 0.67 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2kq2 h ALA 85 CO 0.05 0.13 -0.12 0.25 0.00 0.00 0.00 179.25 179.56 2kq2 n THR 86 N -3.37 2.09 1.18 0.00 -2.24 -0.75 -3.85 114.28 107.33 2kq2 n THR 86 Ca -0.01 -2.48 0.09 0.00 -2.27 0.00 0.00 64.05 59.39 2kq2 n THR 86 Cb 0.29 -0.25 0.32 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.19 0.31 0.08 3.38 0.00 -0.01 -4.08 105.19 103.67 2kq2 n GLY 87 Ca 0.19 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 2kq2 n GLY 87 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kq2 n GLU 88 N 0.32 0.49 -4.24 1.61 2.13 -1.26 -5.03 120.64 114.66 2kq2 n GLU 88 Ca 0.15 0.42 -0.13 0.00 0.66 0.00 0.00 57.16 58.26 2kq2 n GLU 88 Cb 0.31 -1.61 -0.10 0.00 0.27 0.00 0.00 31.44 30.31 2kq2 n GLU 88 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2kq2 s TRP 89 N -2.47 1.21 0.10 4.31 0.51 -1.26 -5.12 118.94 116.23 2kq2 s TRP 89 Ca -0.21 -1.05 -0.31 0.00 -2.12 0.00 0.00 56.10 52.41 2kq2 s TRP 89 Cb 0.03 -0.69 -0.09 0.00 -0.81 0.00 0.00 33.47 31.92 2kq2 s TRP 89 CO 0.32 -0.25 1.60 -1.59 -0.51 0.00 0.00 176.95 176.52 2kq2 s LYS 90 N -3.94 4.21 -0.11 4.98 -2.85 -1.26 -4.83 119.74 115.95 2kq2 s LYS 90 Ca 0.25 2.32 -0.03 0.00 -1.00 0.00 0.00 55.97 57.51 2kq2 s LYS 90 Cb 0.06 -3.42 -0.03 0.00 -2.06 0.00 0.00 37.83 32.38 2kq2 s LYS 90 CO 0.05 -0.67 0.02 0.00 0.10 0.00 0.00 175.35 174.85 2kq2 s ALA 91 N 2.02 3.34 0.32 0.59 0.00 -1.26 -4.73 121.76 122.04 2kq2 s ALA 91 Ca 0.72 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2kq2 s ALA 91 Cb -0.41 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.12 2kq2 s ALA 91 CO 0.32 0.51 0.00 1.17 0.00 0.00 0.00 175.76 177.76 2kq2 n LYS 92 N 2.40 0.00 0.00 0.00 3.00 -1.26 -4.98 118.16 117.32 2kq2 n LYS 92 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 2kq2 n LYS 92 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.57 2kq2 n LYS 92 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2kq2 n ASN 93 N -3.26 0.00 -2.44 3.14 3.02 -1.26 -4.95 115.26 109.52 2kq2 n ASN 93 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2kq2 n ASN 93 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2kq2 n ASN 93 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2kq2 n GLU 94 N 0.00 0.59 -0.10 3.52 1.02 -1.26 -4.76 120.64 119.65 2kq2 n GLU 94 Ca 0.00 0.00 0.25 0.00 -0.02 0.00 0.00 57.16 57.39 2kq2 n GLU 94 Cb 0.00 0.00 0.71 0.00 -0.02 0.00 0.00 31.44 32.13 2kq2 n GLU 94 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2kq2 h PHE 95 N -0.46 0.00 -0.04 -0.32 -0.00 -2.00 0.13 116.94 114.25 2kq2 h PHE 95 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.97 57.98 2kq2 h PHE 95 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 35.95 2kq2 h PHE 95 CO 0.00 0.00 0.03 1.79 -0.00 0.00 0.00 178.31 180.13 2kq2 h THR 96 N 0.00 0.85 -0.18 0.88 1.35 -1.90 0.89 112.91 114.81 2kq2 h THR 96 Ca 0.35 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 66.07 2kq2 h THR 96 Cb 1.44 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 2kq2 h THR 96 CO -0.00 0.00 -0.47 1.56 -0.25 0.00 0.00 175.52 176.35 2kq2 h GLN 97 N 0.00 0.45 -0.07 4.72 1.08 -1.26 0.07 115.11 120.10 2kq2 h GLN 97 Ca 0.02 -0.25 -0.16 0.00 -1.45 0.00 0.00 58.65 56.80 2kq2 h GLN 97 Cb 0.08 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2kq2 h GLN 97 CO -0.00 0.83 -0.66 0.00 -0.95 0.00 0.00 178.83 178.05 2kq2 h ALA 98 N 1.13 0.74 -0.70 3.87 0.00 -1.13 -0.88 119.26 122.29 2kq2 h ALA 98 Ca 0.02 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 2kq2 h ALA 98 Cb 0.97 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2kq2 h ALA 98 CO 0.08 0.76 0.20 -0.92 0.00 0.00 0.00 179.25 179.37 2kq2 h TYR 99 N 0.21 1.14 -0.32 0.00 3.20 -0.61 0.37 116.97 120.96 2kq2 h TYR 99 Ca -0.02 -0.12 -0.11 0.00 3.14 0.00 0.00 58.73 61.62 2kq2 h TYR 99 Cb 1.20 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 2kq2 h TYR 99 CO 0.03 0.92 -0.26 0.00 -1.64 0.00 0.00 178.16 177.21 2kq2 h ALA 100 N 1.09 0.95 0.00 1.82 0.00 -0.84 -2.54 119.26 119.75 2kq2 h ALA 100 Ca 0.22 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2kq2 h ALA 100 Cb 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2kq2 h ALA 100 CO -0.00 0.61 0.00 -0.22 0.00 0.00 0.00 179.25 179.64 2kq2 h LYS 101 N 0.56 0.00 -0.47 0.00 3.64 -0.71 -1.52 116.57 118.07 2kq2 h LYS 101 Ca 0.07 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 2kq2 h LYS 101 Cb 0.74 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 2kq2 h LYS 101 CO 0.06 0.00 -0.03 1.25 -2.27 0.00 0.00 179.45 178.46 2kq2 h LEU 102 N 0.00 0.84 -0.78 5.20 5.85 -0.49 -2.09 115.31 123.84 2kq2 h LEU 102 Ca 0.00 -0.32 -0.13 0.00 0.84 0.00 0.00 57.88 58.27 2kq2 h LEU 102 Cb 0.59 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2kq2 h LEU 102 CO 0.00 0.96 -0.49 0.24 -0.34 0.00 0.00 178.44 178.81 2kq2 h MET 103 N 0.70 0.28 0.00 1.25 2.86 -1.35 -2.68 114.93 116.00 2kq2 h MET 103 Ca 0.13 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2kq2 h MET 103 Cb 0.55 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 2kq2 h MET 103 CO 0.03 0.72 -0.06 -0.97 1.06 0.00 0.00 176.91 177.69 2kq2 h ASN 104 N 0.23 0.00 -0.52 1.22 -0.73 -1.03 -2.70 115.58 112.05 2kq2 h ASN 104 Ca 0.01 0.00 0.08 0.00 1.87 0.00 0.00 56.30 58.26 2kq2 h ASN 104 Cb 0.95 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.48 2kq2 h ASN 104 CO 0.08 0.06 0.16 -0.61 -0.37 0.00 0.00 177.43 176.75 2kq2 h GLN 105 N 0.00 0.31 -0.91 6.67 -0.00 -1.02 -2.71 115.11 117.45 2kq2 h GLN 105 Ca -0.00 -0.02 -0.39 0.00 -0.00 0.00 0.00 58.65 58.24 2kq2 h GLN 105 Cb 0.26 -0.07 -0.23 0.00 0.00 0.00 0.00 27.48 27.43 2kq2 h GLN 105 CO 0.01 0.21 0.50 2.48 0.00 0.00 0.00 178.83 182.02 2kq2 n TYR 106 N -5.04 2.78 -2.11 3.99 0.18 -1.02 -4.91 117.16 111.03 2kq2 n TYR 106 Ca 0.06 -1.56 -0.42 0.00 1.88 0.00 0.00 57.90 57.85 2kq2 n TYR 106 Cb 0.23 -0.84 -0.03 0.00 -0.38 0.00 0.00 39.34 38.33 2kq2 n TYR 106 CO 0.00 0.00 0.00 -0.98 -2.08 0.00 0.00 176.86 173.80 2kq2 s ARG 107 N -3.10 4.24 0.00 -3.48 1.70 -1.03 -4.00 118.95 113.28 2kq2 s ARG 107 Ca 0.55 2.09 0.00 0.00 -0.47 0.00 0.00 55.73 57.90 2kq2 s ARG 107 Cb 0.45 -3.69 0.00 0.00 -0.57 0.00 0.00 34.95 31.15 2kq2 s ARG 107 CO 0.12 -0.68 0.00 0.41 -1.08 0.00 0.00 175.30 174.06 2kq2 n GLY 108 N 3.84 0.39 0.36 3.88 0.00 -1.26 -4.95 105.19 107.45 2kq2 n GLY 108 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 1.25 -3.57 -0.61 2.04 -1.80 -3.41 117.51 111.40 2kq2 h ILE 109 Ca 0.00 -0.55 -0.67 0.00 1.00 0.00 0.00 64.86 64.64 2kq2 h ILE 109 Cb 0.00 0.01 -0.17 0.00 -0.74 0.00 0.00 36.82 35.92 2kq2 h ILE 109 CO 0.00 0.26 -0.69 -0.72 0.00 0.00 0.00 178.15 177.00 2kq2 s TYR 110 N -5.88 2.93 0.15 1.37 1.13 -1.26 0.06 117.35 115.85 2kq2 s TYR 110 Ca -0.12 -0.01 -0.24 0.00 -1.41 0.00 0.00 57.07 55.29 2kq2 s TYR 110 Cb 0.17 -1.63 0.06 0.00 -1.10 0.00 0.00 41.96 39.46 2kq2 s TYR 110 CO 0.82 0.38 0.73 -1.12 -2.51 0.00 0.00 175.55 173.85 2kq2 s SER 111 N -1.35 -0.41 -0.15 -0.18 0.01 -0.69 -4.91 113.70 106.02 2kq2 s SER 111 Ca 0.17 -0.19 -0.07 0.00 1.31 0.00 0.00 55.95 57.17 2kq2 s SER 111 Cb -0.11 0.57 -0.04 0.00 0.21 0.00 0.00 66.02 66.65 2kq2 s SER 111 CO 0.07 -0.98 0.12 0.72 0.41 0.00 0.00 173.24 173.58 2kq2 s PHE 112 N -3.61 3.47 -0.43 2.43 -0.71 -1.26 0.25 117.98 118.12 2kq2 s PHE 112 Ca 0.05 0.39 -0.09 0.00 -1.04 0.00 0.00 56.93 56.25 2kq2 s PHE 112 Cb -0.02 -2.00 0.09 0.00 -1.21 0.00 0.00 43.02 39.87 2kq2 s PHE 112 CO -0.06 0.52 0.27 -2.00 -1.34 0.00 0.00 175.22 172.61 2kq2 s GLU 113 N -0.47 2.55 -1.28 1.99 2.12 -1.26 -4.96 118.70 117.39 2kq2 s GLU 113 Ca 0.11 -1.53 -0.19 0.00 0.36 0.00 0.00 54.97 53.73 2kq2 s GLU 113 Cb -0.12 -3.79 0.03 0.00 0.26 0.00 0.00 34.13 30.51 2kq2 s GLU 113 CO 0.02 -1.00 1.84 0.36 -0.54 0.00 0.00 175.26 175.94 2kq2 n LYS 114 N 4.89 2.78 -4.99 4.30 2.85 -1.26 -4.89 118.16 121.84 2kq2 n LYS 114 Ca -0.09 -2.99 -0.31 0.00 -1.05 0.00 0.00 58.31 53.87 2kq2 n LYS 114 Cb 0.42 -3.50 -0.15 0.00 -0.65 0.00 0.00 35.03 31.16 2kq2 n LYS 114 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2kq2 s VAL 115 N 5.50 2.21 -1.03 0.58 -7.23 -1.26 -5.06 120.40 114.10 2kq2 s VAL 115 Ca 0.56 -1.28 -0.22 0.00 -1.81 0.00 0.00 61.98 59.24 2kq2 s VAL 115 Cb 0.05 -1.84 0.06 0.00 0.56 0.00 0.00 36.38 35.21 2kq2 s VAL 115 CO 0.07 0.43 1.44 -0.54 -0.31 0.00 0.00 175.10 176.19 2kq2 s LYS 116 N -1.08 3.63 -0.75 4.82 3.01 -1.26 -4.93 119.74 123.18 2kq2 s LYS 116 Ca 0.12 -1.27 -0.26 0.00 -1.01 0.00 0.00 55.97 53.54 2kq2 s LYS 116 Cb -0.10 -5.32 0.03 0.00 -1.01 0.00 0.00 37.83 31.43 2kq2 s LYS 116 CO 0.01 -2.16 1.27 0.00 0.51 0.00 0.00 175.35 174.98 2kq2 s ALA 117 N 4.64 2.78 -0.28 5.17 0.00 -1.26 -4.73 121.76 128.08 2kq2 s ALA 117 Ca 0.45 -1.47 0.21 0.00 0.00 0.00 0.00 51.96 51.15 2kq2 s ALA 117 Cb -0.00 -4.25 0.49 0.00 0.00 0.00 0.00 23.12 19.36 2kq2 s ALA 117 CO -0.08 -3.27 1.14 -2.39 0.00 0.00 0.00 175.76 171.16 2kq2 n HIS 118 N 9.21 0.77 0.17 0.00 1.44 -1.26 -4.92 115.22 120.63 2kq2 n HIS 118 Ca 0.04 -2.19 0.04 0.00 -2.01 0.00 0.00 57.72 53.60 2kq2 n HIS 118 Cb 0.49 -0.00 0.26 0.00 0.12 0.00 0.00 29.99 30.86 2kq2 n HIS 118 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 2kq2 h SER 119 N 2.47 0.00 0.00 4.39 0.02 -2.03 -3.46 113.55 114.94 2kq2 h SER 119 Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2kq2 h SER 119 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2kq2 h SER 119 CO 0.18 0.46 0.00 0.61 -1.14 0.00 0.00 176.83 176.94 2kq2 n GLY 120 N 0.36 0.90 3.63 -3.77 0.00 -1.26 -5.03 105.19 100.02 2kq2 n GLY 120 Ca -0.00 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.14 6.15 0.47 1.61 3.84 -1.26 -4.87 114.94 118.75 2kq2 s ASN 121 Ca 0.00 2.08 0.15 0.00 0.21 0.00 0.00 52.86 55.30 2kq2 s ASN 121 Cb 0.00 -2.53 1.09 0.00 -0.55 0.00 0.00 41.25 39.26 2kq2 s ASN 121 CO 0.00 -1.37 2.03 -0.33 -2.79 0.00 0.00 177.10 174.64 2kq2 h GLU 122 N 11.85 0.00 -0.52 0.43 3.07 -1.96 0.14 114.58 127.59 2kq2 h GLU 122 Ca -0.41 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.35 2kq2 h GLU 122 Cb 1.21 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.10 2kq2 h GLU 122 CO 0.97 0.14 -0.06 0.74 -1.40 0.00 0.00 179.01 179.39 2kq2 h PHE 123 N 0.00 1.03 -0.21 4.33 0.04 -1.97 0.38 116.94 120.54 2kq2 h PHE 123 Ca -0.00 -0.19 -0.20 0.00 2.80 0.00 0.00 57.97 60.38 2kq2 h PHE 123 Cb 0.25 -0.26 0.01 0.00 2.20 0.00 0.00 35.95 38.14 2kq2 h PHE 123 CO 0.00 0.95 -0.67 -0.97 -0.60 0.00 0.00 178.31 177.03 2kq2 h ASN 124 N 0.85 0.95 0.68 2.17 -1.24 -1.74 -3.26 115.58 113.99 2kq2 h ASN 124 Ca 0.15 -0.59 -0.07 0.00 0.71 0.00 0.00 56.30 56.50 2kq2 h ASN 124 Cb 0.59 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 2kq2 h ASN 124 CO 0.04 1.37 -0.31 -0.78 -1.29 0.00 0.00 177.43 176.46 2kq2 h ASP 125 N 0.58 0.00 -0.36 1.15 3.58 -0.28 -2.98 116.42 118.12 2kq2 h ASP 125 Ca -0.02 0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.50 2kq2 h ASP 125 Cb 1.29 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.25 2kq2 h ASP 125 CO 0.14 0.31 -0.24 1.88 -2.88 0.00 0.00 179.24 178.45 2kq2 h TYR 126 N 0.00 -0.64 -0.01 0.28 0.05 -0.29 -1.50 116.97 114.86 2kq2 h TYR 126 Ca -0.00 0.05 -0.19 0.00 0.05 0.00 0.00 58.73 58.63 2kq2 h TYR 126 Cb 0.73 0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.80 2kq2 h TYR 126 CO 0.00 -0.32 -0.83 0.28 -1.05 0.00 0.00 178.16 176.24 2kq2 h VAL 127 N -0.19 1.46 -0.71 -2.88 2.07 -1.69 -0.99 116.25 113.31 2kq2 h VAL 127 Ca 0.18 -2.47 0.01 0.00 0.82 0.00 0.00 66.70 65.23 2kq2 h VAL 127 Cb 0.47 2.37 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 2kq2 h VAL 127 CO -0.47 0.72 0.47 0.44 0.02 0.00 0.00 177.57 178.75 2kq2 h ASP 128 N 0.14 0.80 -0.11 0.57 3.32 -1.45 -0.70 116.42 118.98 2kq2 h ASP 128 Ca -0.04 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.84 2kq2 h ASP 128 Cb 1.43 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 2kq2 h ASP 128 CO 0.13 0.57 -0.47 -0.03 -1.72 0.00 0.00 179.24 177.72 2kq2 h MET 129 N 0.94 0.67 -0.10 3.56 4.05 -1.05 -3.01 114.93 119.99 2kq2 h MET 129 Ca 0.27 -0.38 -0.05 0.00 -0.28 0.00 0.00 59.70 59.25 2kq2 h MET 129 Cb -0.08 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 2kq2 h MET 129 CO -0.07 1.00 -0.18 0.87 0.23 0.00 0.00 176.91 178.76 2kq2 h LYS 130 N 0.53 0.17 -0.78 0.39 1.57 -0.71 -1.56 116.57 116.19 2kq2 h LYS 130 Ca 0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2kq2 h LYS 130 Cb 1.02 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.27 2kq2 h LYS 130 CO 0.10 0.36 0.46 0.00 -0.57 0.00 0.00 179.45 179.79 2kq2 h ALA 131 N 1.66 1.34 -0.12 3.86 0.00 -1.00 0.29 119.26 125.29 2kq2 h ALA 131 Ca 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2kq2 h ALA 131 Cb 0.42 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2kq2 h ALA 131 CO 0.03 0.56 0.01 0.87 0.00 0.00 0.00 179.25 180.71 2kq2 h LYS 132 N 1.07 0.20 0.00 0.00 1.79 -1.29 -2.83 116.57 115.51 2kq2 h LYS 132 Ca 0.28 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.64 2kq2 h LYS 132 Cb -0.03 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 2kq2 h LYS 132 CO -0.05 0.43 -0.22 0.66 -1.08 0.00 0.00 179.45 179.19 2kq2 h SER 133 N -0.05 0.00 0.50 0.86 4.64 -1.16 -2.16 113.55 116.18 2kq2 h SER 133 Ca 0.03 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 2kq2 h SER 133 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2kq2 h SER 133 CO 0.00 0.22 -0.10 0.00 -0.87 0.00 0.00 176.83 176.08 2kq2 h ALA 134 N 1.78 1.17 -0.01 5.18 0.00 -0.69 -0.54 119.26 126.14 2kq2 h ALA 134 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kq2 h ALA 134 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2kq2 h ALA 134 CO 0.03 0.12 -0.08 1.28 0.00 0.00 0.00 179.25 180.61 2kq2 n LEU 135 N -3.45 1.39 0.00 0.00 7.99 -0.83 -4.90 117.00 117.20 2kq2 n LEU 135 Ca -0.01 -0.44 0.00 0.00 -0.01 0.00 0.00 56.01 55.55 2kq2 n LEU 135 Cb 0.25 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.53 2kq2 n LEU 135 CO 0.29 0.24 0.00 0.61 -1.51 0.00 0.00 177.39 177.01 2kq2 n GLY 136 N 1.23 0.70 3.63 -0.72 0.00 -0.21 -5.00 105.19 104.81 2kq2 n GLY 136 Ca 0.17 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 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 3.49 -1.16 -0.61 -1.09 -1.15 -2.62 121.20 116.05 2kq2 s ILE 137 Ca 0.00 0.54 -0.04 0.00 -2.23 0.00 0.00 60.65 58.92 2kq2 s ILE 137 Cb 0.00 -3.51 -0.02 0.00 -1.58 0.00 0.00 42.46 37.34 2kq2 s ILE 137 CO 0.00 -0.23 0.91 0.54 -1.23 0.00 0.00 174.94 174.93 2kq2 n ARG 138 N 7.90 -4.43 -4.51 2.79 1.74 -1.26 -4.67 116.66 114.23 2kq2 n ARG 138 Ca 0.21 0.79 -0.22 0.00 -0.77 0.00 0.00 57.85 57.86 2kq2 n ARG 138 Cb 0.45 -5.61 -0.14 0.00 -1.02 0.00 0.00 32.46 26.14 2kq2 n ARG 138 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2kq2 s ASP 139 N -3.96 1.80 0.36 0.55 -1.08 -1.08 -5.03 116.67 108.22 2kq2 s ASP 139 Ca 0.19 -0.40 0.11 0.00 -0.52 0.00 0.00 52.55 51.94 2kq2 s ASP 139 Cb -0.03 -0.15 0.66 0.00 -1.46 0.00 0.00 42.92 41.94 2kq2 s ASP 139 CO 0.76 0.10 1.80 0.25 0.52 0.00 0.00 175.17 178.60 2kq2 h LEU 140 N 5.22 0.05 -0.00 -1.34 6.46 -1.96 -2.72 115.31 121.01 2kq2 h LEU 140 Ca -0.37 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 2kq2 h LEU 140 Cb 1.17 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2kq2 h LEU 140 CO 0.46 0.43 -0.04 -0.62 -0.62 0.00 0.00 178.44 178.04 2kq2 n GLU 141 N -4.08 0.02 -3.32 1.25 1.02 -1.26 -4.57 120.64 109.70 2kq2 n GLU 141 Ca -0.02 -0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.70 2kq2 n GLU 141 Cb 0.42 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.25 2kq2 n GLU 141 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kq2 s HIS 142 N -2.98 3.18 0.33 -0.32 2.46 -1.03 -5.06 115.29 111.87 2kq2 s HIS 142 Ca 0.14 -0.15 0.04 0.00 0.47 0.00 0.00 55.06 55.56 2kq2 s HIS 142 Cb 0.19 -2.86 0.04 0.00 -0.13 0.00 0.00 32.58 29.81 2kq2 s HIS 142 CO 0.54 -0.60 0.29 0.72 -2.47 0.00 0.00 174.74 173.22 2kq2 n HIS 143 N 5.60 -1.33 -2.89 3.88 8.25 -1.26 -4.78 115.22 122.69 2kq2 n HIS 143 Ca -0.07 -1.34 -0.19 0.00 -0.26 0.00 0.00 57.72 55.86 2kq2 n HIS 143 Cb 0.48 -0.28 0.03 0.00 1.12 0.00 0.00 29.99 31.35 2kq2 n HIS 143 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kq2 s HIS 144 N -1.49 2.48 -0.27 4.41 3.76 -1.26 -5.04 115.29 117.87 2kq2 s HIS 144 Ca 0.22 -0.35 -0.29 0.00 -0.15 0.00 0.00 55.06 54.49 2kq2 s HIS 144 Cb -0.02 -2.49 -0.01 0.00 1.11 0.00 0.00 32.58 31.18 2kq2 s HIS 144 CO 0.14 -0.76 1.43 -3.38 -0.85 0.00 0.00 174.74 171.32 2kq2 s HIS 145 N -2.57 2.44 -0.50 1.40 -3.43 -1.26 -4.93 115.29 106.44 2kq2 s HIS 145 Ca 0.58 0.73 0.04 0.00 -0.80 0.00 0.00 55.06 55.61 2kq2 s HIS 145 Cb -0.09 -3.96 0.17 0.00 -1.43 0.00 0.00 32.58 27.27 2kq2 s HIS 145 CO 0.36 -2.21 0.38 -1.58 -2.00 0.00 0.00 174.74 169.69 2kq2 s HIS 146 N 4.76 1.88 0.00 0.38 5.04 -1.26 -5.37 115.29 120.73 2kq2 s HIS 146 Ca 0.63 -2.61 0.00 0.00 -1.54 0.00 0.00 55.06 51.53 2kq2 s HIS 146 Cb -0.20 -1.52 0.00 0.00 0.04 0.00 0.00 32.58 30.90 2kq2 s HIS 146 CO 0.26 -0.74 0.00 0.72 -2.34 0.00 0.00 174.74 172.64