#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 3.21 -0.10 7.83 2.15 -1.26 -4.91 116.67 123.59 2kq2 s ASP 2 Ca 0.00 -2.17 0.18 0.00 0.43 0.00 0.00 52.55 50.99 2kq2 s ASP 2 Cb 0.00 -0.54 0.68 0.00 -0.30 0.00 0.00 42.92 42.75 2kq2 s ASP 2 CO 0.00 -0.32 1.59 -0.90 -0.17 0.00 0.00 175.17 175.37 2kq2 n ASP 3 N 4.09 4.53 0.09 -0.34 5.75 -1.26 -4.35 116.55 125.05 2kq2 n ASP 3 Ca 0.09 -2.40 0.13 0.00 -0.01 0.00 0.00 54.79 52.60 2kq2 n ASP 3 Cb 0.37 -0.55 0.36 0.00 -1.03 0.00 0.00 41.12 40.28 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 1.06 0.25 -3.65 0.11 1.74 -1.26 -4.57 116.66 110.35 2kq2 n ARG 4 Ca 0.25 0.18 -0.39 0.00 -0.77 0.00 0.00 57.85 57.11 2kq2 n ARG 4 Cb 0.83 -1.76 -0.09 0.00 -1.02 0.00 0.00 32.46 30.42 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 -3.11 3.91 -0.02 0.55 -4.23 -1.26 -4.90 115.64 106.57 2kq2 s THR 5 Ca 0.10 -2.23 -0.02 0.00 -1.18 0.00 0.00 61.69 58.35 2kq2 s THR 5 Cb 0.13 -3.58 0.01 0.00 1.34 0.00 0.00 72.50 70.40 2kq2 s THR 5 CO 0.62 -0.80 0.05 -0.62 -0.54 0.00 0.00 174.62 173.33 2kq2 n GLU 6 N 4.37 -4.53 -2.49 3.99 1.02 -1.26 -4.92 120.64 116.81 2kq2 n GLU 6 Ca -0.00 3.37 -0.42 0.00 -0.02 0.00 0.00 57.16 60.08 2kq2 n GLU 6 Cb 0.41 -4.35 -0.03 0.00 -0.02 0.00 0.00 31.44 27.44 2kq2 n GLU 6 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2kq2 s TYR 7 N -0.55 3.51 0.07 -0.32 2.02 -1.25 -4.93 117.35 115.90 2kq2 s TYR 7 Ca -0.06 1.43 0.02 0.00 -0.37 0.00 0.00 57.07 58.09 2kq2 s TYR 7 Cb 0.00 -3.34 -0.04 0.00 -0.40 0.00 0.00 41.96 38.19 2kq2 s TYR 7 CO 0.16 -0.92 0.11 0.34 -1.57 0.00 0.00 175.55 173.66 2kq2 s ASP 8 N 0.86 5.71 -0.21 2.29 2.15 -1.19 -4.47 116.67 121.80 2kq2 s ASP 8 Ca 0.56 0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.60 2kq2 s ASP 8 Cb -0.28 -1.59 0.05 0.00 -0.30 0.00 0.00 42.92 40.81 2kq2 s ASP 8 CO 0.30 0.18 -0.06 -0.69 -0.17 0.00 0.00 175.17 174.73 2kq2 s VAL 9 N -1.40 1.39 -0.35 1.11 1.01 -1.26 -3.28 120.40 117.61 2kq2 s VAL 9 Ca 0.30 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 2kq2 s VAL 9 Cb -0.12 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.67 2kq2 s VAL 9 CO 0.23 -0.02 0.15 -0.31 0.00 0.00 0.00 175.10 175.16 2kq2 s TYR 10 N 1.48 3.24 -0.29 5.22 1.51 -1.24 -5.03 117.35 122.25 2kq2 s TYR 10 Ca -0.03 -1.16 -0.16 0.00 -1.01 0.00 0.00 57.07 54.71 2kq2 s TYR 10 Cb -0.18 -2.36 0.14 0.00 -0.11 0.00 0.00 41.96 39.46 2kq2 s TYR 10 CO -0.07 -0.68 0.94 0.99 -1.11 0.00 0.00 175.55 175.62 2kq2 s THR 11 N 1.48 -0.14 0.00 -0.71 2.01 -1.26 -4.40 115.64 112.62 2kq2 s THR 11 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2kq2 s THR 11 Cb -0.19 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.32 2kq2 s THR 11 CO 0.05 0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.45 2kq2 n ASP 12 N 4.09 0.00 -0.52 3.53 8.00 -1.26 -4.96 116.55 125.43 2kq2 n ASP 12 Ca -0.17 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.35 2kq2 n ASP 12 Cb 0.56 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 2kq2 n ASP 12 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kq2 n GLY 13 N 2.39 -3.78 2.78 0.44 0.00 -1.26 -4.71 105.19 101.05 2kq2 n GLY 13 Ca 0.00 -0.84 -0.18 0.00 0.00 0.00 0.00 46.02 45.00 2kq2 n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kq2 s SER 14 N -1.38 1.21 0.27 1.61 0.01 -1.26 -4.74 113.70 109.43 2kq2 s SER 14 Ca 0.00 -0.07 -0.30 0.00 1.31 0.00 0.00 55.95 56.90 2kq2 s SER 14 Cb 0.00 0.37 -0.09 0.00 0.21 0.00 0.00 66.02 66.51 2kq2 s SER 14 CO 0.00 -0.31 1.07 -0.72 0.41 0.00 0.00 173.24 173.70 2kq2 s TYR 15 N 2.32 3.65 0.06 2.43 1.13 -1.26 -4.94 117.35 120.74 2kq2 s TYR 15 Ca 0.05 1.74 -0.20 0.00 -1.41 0.00 0.00 57.07 57.26 2kq2 s TYR 15 Cb -0.15 -3.23 0.04 0.00 -1.10 0.00 0.00 41.96 37.52 2kq2 s TYR 15 CO -0.11 -0.37 0.46 0.54 -2.51 0.00 0.00 175.55 173.56 2kq2 s VAL 16 N -1.17 0.05 -1.49 -3.49 0.11 -0.78 -4.90 120.40 108.72 2kq2 s VAL 16 Ca 0.44 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 2kq2 s VAL 16 Cb -0.31 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.55 2kq2 s VAL 16 CO 0.39 -0.21 0.00 0.59 -3.33 0.00 0.00 175.10 172.55 2kq2 n ASN 17 N 0.35 -4.97 0.00 3.54 4.13 -1.26 -1.53 115.26 115.52 2kq2 n ASN 17 Ca -0.18 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.14 2kq2 n ASN 17 Cb 0.61 -4.05 0.00 0.00 -1.54 0.00 0.00 39.78 34.80 2kq2 n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kq2 n GLY 18 N -1.00 2.83 3.69 7.41 0.00 -1.26 -5.00 105.19 111.86 2kq2 n GLY 18 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.26 4.44 0.17 1.61 -1.52 -0.58 -5.04 119.66 118.49 2kq2 s GLN 19 Ca 0.00 1.36 0.11 0.00 -1.95 0.00 0.00 55.36 54.88 2kq2 s GLN 19 Cb 0.00 -3.52 -0.04 0.00 -0.22 0.00 0.00 33.01 29.22 2kq2 s GLN 19 CO 0.00 -0.25 -0.24 1.52 -0.25 0.00 0.00 175.29 176.08 2kq2 s TYR 20 N 1.77 2.21 0.22 0.91 1.13 -1.26 -1.87 117.35 120.45 2kq2 s TYR 20 Ca 0.48 -0.38 -0.17 0.00 -1.41 0.00 0.00 57.07 55.59 2kq2 s TYR 20 Cb -0.19 -1.12 0.02 0.00 -1.10 0.00 0.00 41.96 39.57 2kq2 s TYR 20 CO 0.20 0.44 0.54 0.00 -2.51 0.00 0.00 175.55 174.21 2kq2 s ALA 21 N -1.59 -0.79 -0.14 9.51 0.00 -1.26 -4.66 121.76 122.82 2kq2 s ALA 21 Ca 0.18 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.71 2kq2 s ALA 21 Cb -0.08 0.90 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 2kq2 s ALA 21 CO 0.08 -0.85 -0.08 1.67 0.00 0.00 0.00 175.76 176.59 2kq2 s TRP 22 N -3.92 2.93 -0.02 0.00 1.48 0.02 -4.94 118.94 114.49 2kq2 s TRP 22 Ca 0.13 -0.43 0.02 0.00 -1.06 0.00 0.00 56.10 54.77 2kq2 s TRP 22 Cb -0.02 -1.90 0.00 0.00 -1.16 0.00 0.00 33.47 30.40 2kq2 s TRP 22 CO 0.02 -0.09 -0.08 0.00 -4.06 0.00 0.00 176.95 172.73 2kq2 s ALA 23 N 0.31 0.80 -0.03 2.67 0.00 -1.26 -1.39 121.76 122.85 2kq2 s ALA 23 Ca -0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 2kq2 s ALA 23 Cb -0.15 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.69 2kq2 s ALA 23 CO 0.04 0.14 0.08 0.71 0.00 0.00 0.00 175.76 176.73 2kq2 s TYR 24 N 0.15 -0.09 -0.25 0.00 2.02 -0.41 -5.00 117.35 113.77 2kq2 s TYR 24 Ca -0.02 0.23 -0.01 0.00 -0.37 0.00 0.00 57.07 56.90 2kq2 s TYR 24 Cb -0.08 0.01 0.08 0.00 -0.40 0.00 0.00 41.96 41.57 2kq2 s TYR 24 CO 0.00 -0.06 0.05 0.00 -1.57 0.00 0.00 175.55 173.98 2kq2 s ALA 25 N 0.19 1.36 -0.43 3.71 0.00 -1.26 -1.73 121.76 123.60 2kq2 s ALA 25 Ca -0.01 -1.24 -0.23 0.00 0.00 0.00 0.00 51.96 50.48 2kq2 s ALA 25 Cb -0.02 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.70 2kq2 s ALA 25 CO -0.01 -1.41 0.81 -0.06 0.00 0.00 0.00 175.76 175.09 2kq2 s PHE 26 N 1.69 3.01 -0.17 0.00 0.08 -0.07 -3.62 117.98 118.90 2kq2 s PHE 26 Ca 0.03 0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.37 2kq2 s PHE 26 Cb -0.17 -3.66 0.00 0.00 -0.57 0.00 0.00 43.02 38.62 2kq2 s PHE 26 CO -0.16 -0.95 -0.15 0.54 -0.10 0.00 0.00 175.22 174.39 2kq2 s VAL 27 N 3.33 2.59 -0.05 -0.44 0.11 -1.21 -2.90 120.40 121.83 2kq2 s VAL 27 Ca 0.31 -0.78 0.03 0.00 -2.93 0.00 0.00 61.98 58.61 2kq2 s VAL 27 Cb -0.12 -2.10 0.01 0.00 -1.53 0.00 0.00 36.38 32.63 2kq2 s VAL 27 CO 0.22 0.51 -0.14 -1.59 -3.33 0.00 0.00 175.10 170.77 2kq2 s LYS 28 N 1.00 1.67 -0.30 1.54 -2.85 0.11 -3.17 119.74 117.75 2kq2 s LYS 28 Ca -0.02 -0.48 0.00 0.00 -1.00 0.00 0.00 55.97 54.47 2kq2 s LYS 28 Cb -0.15 -1.42 0.00 0.00 -2.06 0.00 0.00 37.83 34.21 2kq2 s LYS 28 CO -0.03 0.12 0.00 -3.47 0.10 0.00 0.00 175.35 172.07 2kq2 n ASP 29 N 3.49 -5.09 0.00 0.03 2.03 -1.26 -0.45 116.55 115.30 2kq2 n ASP 29 Ca -0.20 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.18 2kq2 n ASP 29 Cb 0.53 -2.83 0.00 0.00 -0.72 0.00 0.00 41.12 38.09 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 -0.32 0.69 3.51 0.27 0.00 -1.26 -4.85 105.19 103.23 2kq2 n GLY 30 Ca -0.03 0.00 -0.33 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 -0.72 2.51 -0.23 1.61 3.01 0.41 -5.08 119.74 121.25 2kq2 s LYS 31 Ca 0.00 -0.70 -0.06 0.00 -1.01 0.00 0.00 55.97 54.20 2kq2 s LYS 31 Cb 0.00 -2.42 -0.02 0.00 -1.01 0.00 0.00 37.83 34.38 2kq2 s LYS 31 CO 0.00 0.62 0.03 0.08 0.51 0.00 0.00 175.35 176.59 2kq2 s VAL 32 N -0.81 3.99 -0.09 3.17 1.01 -1.26 0.09 120.40 126.50 2kq2 s VAL 32 Ca 0.13 -0.28 0.11 0.00 0.00 0.00 0.00 61.98 61.93 2kq2 s VAL 32 Cb -0.11 -2.84 -0.16 0.00 0.00 0.00 0.00 36.38 33.27 2kq2 s VAL 32 CO 0.02 0.38 0.27 1.57 0.00 0.00 0.00 175.10 177.34 2kq2 n HIS 33 N 4.75 0.00 -4.02 5.22 -0.00 -1.14 -4.99 115.22 115.03 2kq2 n HIS 33 Ca -0.17 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 57.87 2kq2 n HIS 33 Cb 0.51 -0.21 -0.14 0.00 -0.12 0.00 0.00 29.99 30.03 2kq2 n HIS 33 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 2kq2 s TYR 34 N -2.64 0.28 -0.16 1.57 2.02 -1.25 -5.06 117.35 112.10 2kq2 s TYR 34 Ca -0.03 -0.04 -0.29 0.00 -0.37 0.00 0.00 57.07 56.33 2kq2 s TYR 34 Cb 0.07 -0.20 0.12 0.00 -0.40 0.00 0.00 41.96 41.54 2kq2 s TYR 34 CO 0.45 -0.02 0.95 -1.83 -1.57 0.00 0.00 175.55 173.53 2kq2 s GLU 35 N 0.07 0.66 -0.02 -0.62 1.03 -1.26 -0.89 118.70 117.67 2kq2 s GLU 35 Ca -0.00 0.25 -0.30 0.00 0.03 0.00 0.00 54.97 54.95 2kq2 s GLU 35 Cb -0.03 0.31 0.12 0.00 -0.80 0.00 0.00 34.13 33.73 2kq2 s GLU 35 CO -0.00 -0.19 1.29 0.34 -1.33 0.00 0.00 175.26 175.37 2kq2 s ASP 36 N -0.89 -0.04 -0.28 0.83 -1.08 -0.71 -5.01 116.67 109.49 2kq2 s ASP 36 Ca -0.02 -0.15 -0.01 0.00 -0.52 0.00 0.00 52.55 51.85 2kq2 s ASP 36 Cb -0.01 0.16 0.17 0.00 -1.46 0.00 0.00 42.92 41.78 2kq2 s ASP 36 CO 0.02 -0.30 0.53 0.00 0.52 0.00 0.00 175.17 175.94 2kq2 s ALA 37 N -2.34 -1.88 0.33 3.66 0.00 -1.26 -1.28 121.76 118.98 2kq2 s ALA 37 Ca 0.17 1.51 0.03 0.00 0.00 0.00 0.00 51.96 53.67 2kq2 s ALA 37 Cb 0.04 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 2kq2 s ALA 37 CO -0.03 -1.33 0.12 0.34 0.00 0.00 0.00 175.76 174.85 2kq2 s ASP 38 N 2.76 2.01 -0.18 0.00 -1.08 -0.49 -4.42 116.67 115.26 2kq2 s ASP 38 Ca 0.18 -1.51 -0.08 0.00 -0.52 0.00 0.00 52.55 50.62 2kq2 s ASP 38 Cb -0.15 0.27 -0.04 0.00 -1.46 0.00 0.00 42.92 41.54 2kq2 s ASP 38 CO -0.20 -0.80 0.07 0.68 0.52 0.00 0.00 175.17 175.44 2kq2 s VAL 39 N -3.45 4.86 0.00 1.11 -7.23 -1.26 -0.80 120.40 113.62 2kq2 s VAL 39 Ca 0.33 -0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.49 2kq2 s VAL 39 Cb 0.06 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.81 2kq2 s VAL 39 CO 0.15 0.47 0.00 0.61 -0.31 0.00 0.00 175.10 176.02 2kq2 n GLY 40 N 3.45 -2.66 3.20 2.32 0.00 -1.26 -4.99 105.19 105.24 2kq2 n GLY 40 Ca -0.17 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.12 2.39 -0.06 1.61 2.20 -1.26 -4.90 119.74 117.61 2kq2 s LYS 41 Ca 0.00 -1.68 -0.10 0.00 -0.36 0.00 0.00 55.97 53.83 2kq2 s LYS 41 Cb 0.00 -3.78 0.02 0.00 -1.51 0.00 0.00 37.83 32.57 2kq2 s LYS 41 CO 0.00 -1.08 0.26 1.21 -0.36 0.00 0.00 175.35 175.38 2kq2 s ASN 42 N 2.26 -0.20 0.16 1.43 2.47 -1.26 -5.06 114.94 114.74 2kq2 s ASN 42 Ca 0.05 0.29 -0.23 0.00 0.42 0.00 0.00 52.86 53.39 2kq2 s ASN 42 Cb -0.24 0.43 0.04 0.00 -1.45 0.00 0.00 41.25 40.02 2kq2 s ASN 42 CO -0.01 -0.24 1.61 -0.65 -3.72 0.00 0.00 177.10 174.09 2kq2 h PRO 43 N 4.97 -0.26 0.00 0.43 0.11 -1.99 0.13 132.00 135.39 2kq2 h PRO 43 Ca -0.28 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.79 2kq2 h PRO 43 Cb 1.19 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2kq2 h PRO 43 CO 0.37 -0.17 -0.28 0.00 -0.21 0.00 0.00 178.00 177.70 2kq2 h ALA 44 N 0.73 1.32 -0.03 -0.75 0.00 -2.01 -2.34 119.26 116.18 2kq2 h ALA 44 Ca 0.15 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 2kq2 h ALA 44 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2kq2 h ALA 44 CO -0.47 0.35 -0.74 0.00 0.00 0.00 0.00 179.25 178.39 2kq2 h ALA 45 N 1.72 0.69 0.00 0.00 0.00 -1.63 -2.97 119.26 117.07 2kq2 h ALA 45 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2kq2 h ALA 45 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2kq2 h ALA 45 CO 0.04 0.82 0.00 0.00 0.00 0.00 0.00 179.25 180.11 2kq2 h ALA 46 N 1.09 1.00 -0.17 0.00 0.00 -0.47 -3.13 119.26 117.58 2kq2 h ALA 46 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 2kq2 h ALA 46 Cb 1.30 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2kq2 h ALA 46 CO 0.11 0.00 -0.64 1.15 0.00 0.00 0.00 179.25 179.87 2kq2 h THR 47 N 0.00 1.32 0.00 0.00 2.02 -1.34 -3.33 112.91 111.58 2kq2 h THR 47 Ca 0.00 -1.91 -0.07 0.00 0.77 0.00 0.00 66.41 65.19 2kq2 h THR 47 Cb 0.57 1.88 0.01 0.00 -1.74 0.00 0.00 68.15 68.86 2kq2 h THR 47 CO 0.00 0.59 -0.29 0.24 0.37 0.00 0.00 175.52 176.43 2kq2 h MET 48 N 0.44 0.20 -6.71 6.66 2.86 -1.65 -3.44 114.93 113.30 2kq2 h MET 48 Ca -0.01 -0.21 -0.51 0.00 -2.06 0.00 0.00 59.70 56.90 2kq2 h MET 48 Cb 1.22 0.06 0.02 0.00 0.06 0.00 0.00 31.60 32.95 2kq2 h MET 48 CO 0.12 0.95 0.52 -0.98 1.06 0.00 0.00 176.91 178.58 2kq2 s ARG 49 N -3.09 4.55 -0.00 1.72 1.70 -1.23 -4.91 118.95 117.69 2kq2 s ARG 49 Ca -0.16 1.82 0.00 0.00 -0.47 0.00 0.00 55.73 56.93 2kq2 s ARG 49 Cb 0.01 -3.23 0.01 0.00 -0.57 0.00 0.00 34.95 31.17 2kq2 s ARG 49 CO 0.75 0.03 0.54 0.27 -1.08 0.00 0.00 175.30 175.81 2kq2 n ASN 50 N 2.08 1.00 0.20 -2.89 0.23 -1.26 -3.06 115.26 111.55 2kq2 n ASN 50 Ca 0.02 -2.01 0.05 0.00 -0.53 0.00 0.00 54.58 52.11 2kq2 n ASN 50 Cb 0.45 -0.48 0.40 0.00 -2.08 0.00 0.00 39.78 38.08 2kq2 n ASN 50 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 2kq2 h VAL 51 N 0.04 1.05 -0.66 3.53 2.07 -1.91 -3.17 116.25 117.20 2kq2 h VAL 51 Ca 0.00 -1.27 0.19 0.00 0.82 0.00 0.00 66.70 66.44 2kq2 h VAL 51 Cb 0.49 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 2kq2 h VAL 51 CO 0.00 0.34 0.48 0.00 0.02 0.00 0.00 177.57 178.41 2kq2 h ALA 52 N 1.66 2.62 -0.20 1.67 0.00 -1.67 -0.72 119.26 122.63 2kq2 h ALA 52 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2kq2 h ALA 52 Cb 0.70 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2kq2 h ALA 52 CO 0.04 -0.82 0.05 0.78 0.00 0.00 0.00 179.25 179.30 2kq2 h GLY 53 N 0.00 0.33 0.81 0.00 0.00 -1.85 -1.51 103.07 100.85 2kq2 h GLY 53 Ca 0.31 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 2kq2 h GLY 53 CO -0.00 0.19 -0.06 0.83 0.00 0.00 0.00 176.54 177.50 2kq2 h GLU 54 N 0.13 0.40 -0.15 4.80 3.07 -1.36 -2.65 114.58 118.82 2kq2 h GLU 54 Ca 0.06 -0.16 -0.08 0.00 -0.50 0.00 0.00 59.36 58.68 2kq2 h GLU 54 Cb 0.26 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 2kq2 h GLU 54 CO 0.00 0.66 -0.27 -0.84 -1.40 0.00 0.00 179.01 177.16 2kq2 h ILE 55 N 0.12 1.25 -0.67 3.13 3.07 -1.39 -0.09 117.51 122.92 2kq2 h ILE 55 Ca 0.05 -1.18 -0.08 0.00 1.55 0.00 0.00 64.86 65.20 2kq2 h ILE 55 Cb 0.51 1.44 -0.03 0.00 -0.27 0.00 0.00 36.82 38.48 2kq2 h ILE 55 CO 0.02 0.36 0.11 0.00 -1.05 0.00 0.00 178.15 177.59 2kq2 h ALA 56 N 1.48 0.91 -0.10 0.16 0.00 -1.22 0.14 119.26 120.64 2kq2 h ALA 56 Ca 0.04 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 2kq2 h ALA 56 Cb 0.61 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2kq2 h ALA 56 CO 0.04 0.67 -0.60 0.00 0.00 0.00 0.00 179.25 179.37 2kq2 h ALA 57 N 1.06 0.80 0.00 0.00 0.00 -1.04 -2.80 119.26 117.29 2kq2 h ALA 57 Ca 0.20 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 2kq2 h ALA 57 Cb 0.44 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2kq2 h ALA 57 CO 0.01 0.72 -0.50 0.00 0.00 0.00 0.00 179.25 179.48 2kq2 h ALA 58 N 1.13 0.91 -0.10 0.00 0.00 -0.78 -3.04 119.26 117.39 2kq2 h ALA 58 Ca -0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 2kq2 h ALA 58 Cb 1.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2kq2 h ALA 58 CO 0.10 0.63 -0.22 1.25 0.00 0.00 0.00 179.25 181.01 2kq2 h LEU 59 N 0.00 0.16 -1.57 0.00 5.85 -0.45 -2.13 115.31 117.17 2kq2 h LEU 59 Ca -0.01 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 2kq2 h LEU 59 Cb 1.06 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2kq2 h LEU 59 CO 0.07 0.39 -0.22 0.22 -0.34 0.00 0.00 178.44 178.56 2kq2 h TYR 60 N 0.15 0.00 -0.38 1.25 3.20 -1.43 -1.10 116.97 118.65 2kq2 h TYR 60 Ca 0.03 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 2kq2 h TYR 60 Cb 0.48 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 2kq2 h TYR 60 CO 0.01 0.22 -0.16 0.00 -1.64 0.00 0.00 178.16 176.58 2kq2 h ALA 61 N 1.78 1.01 -0.52 1.82 0.00 -1.49 -0.63 119.26 121.23 2kq2 h ALA 61 Ca -0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 2kq2 h ALA 61 Cb 0.49 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2kq2 h ALA 61 CO 0.03 0.59 0.01 0.28 0.00 0.00 0.00 179.25 180.16 2kq2 h VAL 62 N 0.63 1.25 -0.41 0.00 2.07 -1.22 0.20 116.25 118.77 2kq2 h VAL 62 Ca 0.10 -1.03 -0.09 0.00 0.82 0.00 0.00 66.70 66.50 2kq2 h VAL 62 Cb 0.63 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 2kq2 h VAL 62 CO 0.04 0.37 -0.11 0.50 0.02 0.00 0.00 177.57 178.39 2kq2 h LYS 63 N 0.81 0.74 -0.00 1.57 3.11 -0.77 -2.65 116.57 119.38 2kq2 h LYS 63 Ca 0.16 -0.24 -0.05 0.00 -2.81 0.00 0.00 60.65 57.70 2kq2 h LYS 63 Cb 0.46 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.63 2kq2 h LYS 63 CO 0.02 0.82 -0.21 -0.22 -2.81 0.00 0.00 179.45 177.05 2kq2 h LYS 64 N 0.67 0.14 -0.38 1.90 3.64 -0.83 -3.35 116.57 118.37 2kq2 h LYS 64 Ca 0.12 -0.15 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2kq2 h LYS 64 Cb 0.57 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 2kq2 h LYS 64 CO 0.04 0.90 0.26 0.00 -2.27 0.00 0.00 179.45 178.38 2kq2 h ALA 65 N 0.24 1.97 0.00 5.00 0.00 -0.55 0.22 119.26 126.13 2kq2 h ALA 65 Ca -0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2kq2 h ALA 65 Cb 0.98 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2kq2 h ALA 65 CO 0.04 -0.03 -0.22 0.66 0.00 0.00 0.00 179.25 179.70 2kq2 h SER 66 N 0.31 0.00 0.63 0.00 4.64 -1.60 0.13 113.55 117.66 2kq2 h SER 66 Ca 0.16 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.21 2kq2 h SER 66 Cb 0.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 2kq2 h SER 66 CO -0.04 0.22 -1.36 -0.61 -0.87 0.00 0.00 176.83 174.17 2kq2 h GLN 67 N 0.00 0.16 0.00 4.77 4.15 -1.12 -3.29 115.11 119.78 2kq2 h GLN 67 Ca -0.00 -0.27 -0.08 0.00 0.77 0.00 0.00 58.65 59.07 2kq2 h GLN 67 Cb 0.44 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 2kq2 h GLN 67 CO 0.03 1.02 -0.39 -0.07 -1.93 0.00 0.00 178.83 177.49 2kq2 h LEU 68 N 0.04 0.00 0.00 -2.39 4.07 -0.93 -3.47 115.31 112.64 2kq2 h LEU 68 Ca -0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.79 2kq2 h LEU 68 Cb 1.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.68 2kq2 h LEU 68 CO 0.15 0.39 0.00 0.61 -1.08 0.00 0.00 178.44 178.51 2kq2 n GLY 69 N 0.72 0.65 3.88 0.83 0.00 0.41 -5.06 105.19 106.63 2kq2 n GLY 69 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.34 5.27 0.29 1.61 -7.23 -0.94 -5.00 120.40 112.06 2kq2 s VAL 70 Ca 0.00 0.17 0.03 0.00 -1.81 0.00 0.00 61.98 60.37 2kq2 s VAL 70 Cb 0.00 -3.58 -0.01 0.00 0.56 0.00 0.00 36.38 33.34 2kq2 s VAL 70 CO 0.00 0.32 0.12 0.29 -0.31 0.00 0.00 175.10 175.53 2kq2 n LYS 71 N 0.98 0.61 -4.14 4.82 4.01 -1.26 -4.36 118.16 118.83 2kq2 n LYS 71 Ca -0.10 -2.55 -0.28 0.00 -0.51 0.00 0.00 58.31 54.87 2kq2 n LYS 71 Cb 0.53 1.49 -0.07 0.00 -0.51 0.00 0.00 35.03 36.47 2kq2 n LYS 71 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 2kq2 s ILE 72 N -2.74 4.05 -0.29 -0.18 -5.25 -0.87 -3.92 121.20 112.01 2kq2 s ILE 72 Ca 0.18 -1.12 -0.02 0.00 -0.99 0.00 0.00 60.65 58.69 2kq2 s ILE 72 Cb 0.01 -2.99 0.09 0.00 2.95 0.00 0.00 42.46 42.52 2kq2 s ILE 72 CO 0.12 0.01 0.10 -0.13 -1.79 0.00 0.00 174.94 173.25 2kq2 s ARG 73 N -2.66 0.52 -0.29 0.37 0.52 -1.26 -4.87 118.95 111.27 2kq2 s ARG 73 Ca 0.27 -0.79 -0.24 0.00 -0.52 0.00 0.00 55.73 54.46 2kq2 s ARG 73 Cb -0.11 -1.73 -0.00 0.00 0.52 0.00 0.00 34.95 33.63 2kq2 s ARG 73 CO 0.20 -0.95 0.80 0.42 0.02 0.00 0.00 175.30 175.79 2kq2 s ILE 74 N 1.82 4.80 -0.19 1.52 -1.09 -1.26 -5.00 121.20 121.80 2kq2 s ILE 74 Ca 0.08 1.30 -0.29 0.00 -2.23 0.00 0.00 60.65 59.51 2kq2 s ILE 74 Cb -0.17 -4.14 -0.05 0.00 -1.58 0.00 0.00 42.46 36.53 2kq2 s ILE 74 CO -0.27 -0.20 1.98 -0.76 -1.23 0.00 0.00 174.94 174.46 2kq2 s LEU 75 N 2.93 3.73 0.23 2.97 2.01 -1.26 -4.93 118.68 124.36 2kq2 s LEU 75 Ca 0.33 1.88 -0.06 0.00 0.01 0.00 0.00 54.13 56.29 2kq2 s LEU 75 Cb -0.14 -3.52 -0.02 0.00 0.01 0.00 0.00 46.19 42.51 2kq2 s LEU 75 CO 0.11 -1.61 0.29 -1.38 1.01 0.00 0.00 176.35 174.78 2kq2 s HIS 76 N 6.71 0.86 0.62 0.29 -3.43 -1.26 -5.06 115.29 114.02 2kq2 s HIS 76 Ca 0.89 -1.12 -0.14 0.00 -0.80 0.00 0.00 55.06 53.88 2kq2 s HIS 76 Cb -0.31 -0.24 -0.03 0.00 -1.43 0.00 0.00 32.58 30.57 2kq2 s HIS 76 CO 0.35 -0.81 1.05 -0.51 -2.00 0.00 0.00 174.74 172.81 2kq2 s ASP 77 N -3.11 5.78 -0.92 7.38 1.01 -1.26 -4.14 116.67 121.40 2kq2 s ASP 77 Ca 0.32 1.70 -0.04 0.00 0.71 0.00 0.00 52.55 55.23 2kq2 s ASP 77 Cb 0.03 -2.51 -0.05 0.00 1.01 0.00 0.00 42.92 41.40 2kq2 s ASP 77 CO 0.12 -1.17 0.80 -1.22 0.21 0.00 0.00 175.17 173.91 2kq2 n TYR 78 N -2.38 -2.09 -0.05 4.23 4.01 -1.26 -4.98 117.16 114.65 2kq2 n TYR 78 Ca 0.08 0.75 -0.15 0.00 -0.16 0.00 0.00 57.90 58.42 2kq2 n TYR 78 Cb 0.53 -4.02 -0.14 0.00 -0.31 0.00 0.00 39.34 35.40 2kq2 n TYR 78 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kq2 n ALA 79 N -3.10 1.27 0.28 -0.72 0.00 -1.26 -4.39 120.51 112.59 2kq2 n ALA 79 Ca -0.09 -0.88 0.16 0.00 0.00 0.00 0.00 53.44 52.63 2kq2 n ALA 79 Cb 0.61 -0.51 0.72 0.00 0.00 0.00 0.00 19.45 20.27 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 2.43 0.00 1.80 0.00 0.00 -1.93 -2.78 103.07 102.59 2kq2 h GLY 80 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2kq2 h GLY 80 CO 0.04 0.00 0.12 1.19 0.00 0.00 0.00 176.54 177.89 2kq2 h ILE 81 N 0.00 1.06 0.00 2.60 -0.00 -1.97 -1.47 117.51 117.73 2kq2 h ILE 81 Ca -0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 64.86 64.74 2kq2 h ILE 81 Cb 0.48 0.77 0.00 0.00 -0.00 0.00 0.00 36.82 38.07 2kq2 h ILE 81 CO 0.01 0.06 0.00 0.00 -0.00 0.00 0.00 178.15 178.21 2kq2 n ALA 82 N -2.51 1.88 0.08 0.18 0.00 -1.05 -2.74 120.51 116.36 2kq2 n ALA 82 Ca -0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.33 2kq2 n ALA 82 Cb 0.08 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.22 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 0.30 0.00 0.00 3.57 -1.44 -2.88 116.94 116.49 2kq2 h PHE 83 Ca 0.00 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 2kq2 h PHE 83 Cb 0.38 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 2kq2 h PHE 83 CO 0.00 0.91 -0.07 -1.49 -2.23 0.00 0.00 178.31 175.43 2kq2 h TRP 84 N 0.14 0.00 -0.08 0.41 4.06 -1.65 -2.88 115.95 115.95 2kq2 h TRP 84 Ca -0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.92 2kq2 h TRP 84 Cb 1.36 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.52 2kq2 h TRP 84 CO 0.03 0.07 0.00 0.00 -3.56 0.00 0.00 178.44 174.98 2kq2 n ALA 85 N -2.13 2.53 -0.35 1.49 0.00 -1.10 -2.34 120.51 118.62 2kq2 n ALA 85 Ca 0.02 -0.54 0.11 0.00 0.00 0.00 0.00 53.44 53.03 2kq2 n ALA 85 Cb 0.42 -1.07 0.30 0.00 0.00 0.00 0.00 19.45 19.10 2kq2 n ALA 85 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2kq2 h THR 86 N 2.87 0.75 0.00 0.00 1.35 -1.40 -3.42 112.91 113.06 2kq2 h THR 86 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2kq2 h THR 86 Cb 0.61 -0.12 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 2kq2 h THR 86 CO 0.00 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 2kq2 n GLY 87 N -1.33 1.05 0.09 5.82 0.00 -1.26 -5.06 105.19 104.49 2kq2 n GLY 87 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.51 -3.48 1.61 1.02 -1.26 -5.03 120.64 114.01 2kq2 n GLU 88 Ca 0.00 0.32 0.01 0.00 -0.02 0.00 0.00 57.16 57.46 2kq2 n GLU 88 Cb 0.00 -1.52 -0.04 0.00 -0.02 0.00 0.00 31.44 29.86 2kq2 n GLU 88 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 2kq2 s TRP 89 N -2.68 -0.87 -0.29 -0.32 1.48 -1.26 -4.82 118.94 110.18 2kq2 s TRP 89 Ca -0.25 1.51 -0.21 0.00 -1.06 0.00 0.00 56.10 56.09 2kq2 s TRP 89 Cb 0.04 0.52 -0.01 0.00 -1.16 0.00 0.00 33.47 32.86 2kq2 s TRP 89 CO 0.37 -0.43 0.67 0.15 -4.06 0.00 0.00 176.95 173.64 2kq2 s LYS 90 N 2.56 3.96 -0.39 3.25 -0.14 -0.99 -5.03 119.74 122.96 2kq2 s LYS 90 Ca -0.04 0.43 -0.04 0.00 -1.36 0.00 0.00 55.97 54.96 2kq2 s LYS 90 Cb -0.08 -3.71 0.09 0.00 -1.68 0.00 0.00 37.83 32.46 2kq2 s LYS 90 CO -0.18 -0.56 0.18 0.00 -0.76 0.00 0.00 175.35 174.03 2kq2 s ALA 91 N 2.66 3.12 -0.10 5.17 0.00 -1.26 -4.16 121.76 127.19 2kq2 s ALA 91 Ca 0.27 -2.32 -0.23 0.00 0.00 0.00 0.00 51.96 49.67 2kq2 s ALA 91 Cb -0.15 -2.37 -0.28 0.00 0.00 0.00 0.00 23.12 20.32 2kq2 s ALA 91 CO 0.11 -1.68 0.74 0.87 0.00 0.00 0.00 175.76 175.80 2kq2 h LYS 92 N 8.10 0.17 0.00 0.00 1.79 -1.96 -3.48 116.57 121.20 2kq2 h LYS 92 Ca -0.16 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2kq2 h LYS 92 Cb 1.06 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2kq2 h LYS 92 CO 0.68 1.14 0.00 0.09 -1.08 0.00 0.00 179.45 180.28 2kq2 n ASN 93 N -4.28 0.00 0.14 0.86 3.02 -1.26 -5.09 115.26 108.65 2kq2 n ASN 93 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 2kq2 n ASN 93 Cb 0.71 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.92 2kq2 n ASN 93 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2kq2 n GLU 94 N -1.94 0.00 -0.08 3.52 2.13 -1.26 -4.92 120.64 118.09 2kq2 n GLU 94 Ca 0.00 0.00 0.18 0.00 0.66 0.00 0.00 57.16 58.00 2kq2 n GLU 94 Cb 0.00 0.00 0.61 0.00 0.27 0.00 0.00 31.44 32.32 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 0.22 -0.10 4.31 0.04 -1.98 0.23 116.94 119.65 2kq2 h PHE 95 Ca 0.00 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.81 2kq2 h PHE 95 Cb 0.00 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.08 2kq2 h PHE 95 CO 0.00 0.08 0.08 1.79 -0.60 0.00 0.00 178.31 179.67 2kq2 h THR 96 N 0.19 0.75 -0.78 -1.55 1.35 -1.91 -1.31 112.91 109.64 2kq2 h THR 96 Ca 0.31 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.17 2kq2 h THR 96 Cb 0.97 0.94 -0.04 0.00 -1.73 0.00 0.00 68.15 68.29 2kq2 h THR 96 CO -0.05 0.00 0.49 -0.61 -0.25 0.00 0.00 175.52 175.09 2kq2 h GLN 97 N 0.00 1.05 -0.32 4.72 -0.00 -1.10 0.32 115.11 119.78 2kq2 h GLN 97 Ca 0.05 -0.08 -0.16 0.00 -0.00 0.00 0.00 58.65 58.46 2kq2 h GLN 97 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 27.48 27.46 2kq2 h GLN 97 CO -0.00 0.73 -0.43 0.00 0.00 0.00 0.00 178.83 179.13 2kq2 h ALA 98 N 1.46 0.64 -0.44 3.38 0.00 -1.39 0.14 119.26 123.05 2kq2 h ALA 98 Ca 0.28 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2kq2 h ALA 98 Cb -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2kq2 h ALA 98 CO -0.06 0.67 0.06 1.88 0.00 0.00 0.00 179.25 181.81 2kq2 h TYR 99 N 0.65 0.79 0.00 0.00 0.05 -1.22 -3.03 116.97 114.20 2kq2 h TYR 99 Ca 0.05 -0.11 -0.10 0.00 0.05 0.00 0.00 58.73 58.62 2kq2 h TYR 99 Cb 0.99 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 2kq2 h TYR 99 CO 0.06 0.75 -0.46 0.00 -1.05 0.00 0.00 178.16 177.46 2kq2 h ALA 100 N 0.94 0.92 0.00 3.88 0.00 -0.28 -2.56 119.26 122.17 2kq2 h ALA 100 Ca 0.13 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kq2 h ALA 100 Cb 0.39 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kq2 h ALA 100 CO 0.01 0.57 -0.02 -0.22 0.00 0.00 0.00 179.25 179.60 2kq2 h LYS 101 N 0.00 0.00 -0.99 0.00 3.64 -0.84 -1.86 116.57 116.52 2kq2 h LYS 101 Ca -0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 2kq2 h LYS 101 Cb 1.03 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.79 2kq2 h LYS 101 CO 0.06 0.02 0.13 1.28 -2.27 0.00 0.00 179.45 178.67 2kq2 n LEU 102 N -3.15 3.67 0.28 5.20 4.77 -0.96 -4.22 117.00 122.59 2kq2 n LEU 102 Ca -0.01 -1.88 0.11 0.00 -0.03 0.00 0.00 56.01 54.20 2kq2 n LEU 102 Cb 0.21 -0.57 0.77 0.00 -2.33 0.00 0.00 43.42 41.50 2kq2 n LEU 102 CO 0.25 0.60 1.08 -0.03 -1.33 0.00 0.00 177.39 177.96 2kq2 h MET 103 N 0.27 0.00 -0.71 3.23 4.05 -1.52 -2.89 114.93 117.36 2kq2 h MET 103 Ca 0.13 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.69 2kq2 h MET 103 Cb 1.36 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 32.07 2kq2 h MET 103 CO 0.23 0.01 0.23 -0.97 0.23 0.00 0.00 176.91 176.65 2kq2 h ASN 104 N 0.00 0.16 1.31 1.39 -0.73 -1.87 0.61 115.58 116.45 2kq2 h ASN 104 Ca -0.00 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.29 2kq2 h ASN 104 Cb 0.03 0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.75 2kq2 h ASN 104 CO 0.00 0.05 0.00 0.06 -0.37 0.00 0.00 177.43 177.17 2kq2 h GLN 105 N 0.36 0.00 0.02 6.67 -0.00 -1.88 -2.55 115.11 117.74 2kq2 h GLN 105 Ca 0.39 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.83 2kq2 h GLN 105 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.08 2kq2 h GLN 105 CO -0.43 0.00 -0.96 -0.92 -0.00 0.00 0.00 178.83 176.53 2kq2 h TYR 106 N 0.00 0.28 -3.09 0.06 3.20 -1.03 -3.42 116.97 112.97 2kq2 h TYR 106 Ca 0.00 -0.17 -0.57 0.00 3.14 0.00 0.00 58.73 61.13 2kq2 h TYR 106 Cb 0.65 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 2kq2 h TYR 106 CO 0.00 1.03 1.00 1.03 -1.64 0.00 0.00 178.16 179.58 2kq2 s ARG 107 N -3.04 3.88 0.00 1.82 0.52 -0.71 -4.66 118.95 116.76 2kq2 s ARG 107 Ca -0.02 1.30 0.00 0.00 -0.52 0.00 0.00 55.73 56.48 2kq2 s ARG 107 Cb 0.10 -3.91 0.00 0.00 0.52 0.00 0.00 34.95 31.66 2kq2 s ARG 107 CO 0.84 -1.16 0.00 0.41 0.02 0.00 0.00 175.30 175.40 2kq2 n GLY 108 N 4.39 2.31 0.27 -3.53 0.00 -1.26 -4.96 105.19 102.42 2kq2 n GLY 108 Ca 0.15 -0.34 0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 1.06 -3.83 -0.61 1.08 -1.87 -3.42 117.51 109.91 2kq2 h ILE 109 Ca 0.00 -0.17 -0.68 0.00 -0.39 0.00 0.00 64.86 63.62 2kq2 h ILE 109 Cb 0.00 0.88 -0.20 0.00 -3.07 0.00 0.00 36.82 34.42 2kq2 h ILE 109 CO 0.00 0.07 -0.80 -0.72 -0.69 0.00 0.00 178.15 176.00 2kq2 s TYR 110 N -5.15 2.54 0.26 1.37 1.13 -1.26 -2.05 117.35 114.18 2kq2 s TYR 110 Ca -0.06 -0.26 -0.18 0.00 -1.41 0.00 0.00 57.07 55.15 2kq2 s TYR 110 Cb 0.17 -1.40 0.02 0.00 -1.10 0.00 0.00 41.96 39.65 2kq2 s TYR 110 CO 0.70 0.33 0.63 0.45 -2.51 0.00 0.00 175.55 175.14 2kq2 s SER 111 N -1.84 -0.22 -0.22 -0.18 0.15 -1.26 -5.07 113.70 105.06 2kq2 s SER 111 Ca 0.16 -0.66 -0.18 0.00 0.70 0.00 0.00 55.95 55.97 2kq2 s SER 111 Cb -0.11 0.67 0.06 0.00 -1.71 0.00 0.00 66.02 64.93 2kq2 s SER 111 CO 0.08 -1.25 0.57 0.12 1.20 0.00 0.00 173.24 173.96 2kq2 s PHE 112 N -3.94 -0.70 -0.05 3.44 5.36 -1.26 -4.80 117.98 116.04 2kq2 s PHE 112 Ca 0.14 1.60 0.05 0.00 -0.96 0.00 0.00 56.93 57.76 2kq2 s PHE 112 Cb -0.04 0.29 -0.00 0.00 -0.34 0.00 0.00 43.02 42.93 2kq2 s PHE 112 CO 0.06 -0.34 -0.20 -1.21 -1.46 0.00 0.00 175.22 172.06 2kq2 s GLU 113 N 0.66 2.14 -0.53 10.12 8.01 -1.26 -5.09 118.70 132.74 2kq2 s GLU 113 Ca -0.03 -0.72 -0.25 0.00 0.01 0.00 0.00 54.97 53.98 2kq2 s GLU 113 Cb -0.05 -1.81 0.04 0.00 -4.31 0.00 0.00 34.13 28.00 2kq2 s GLU 113 CO -0.04 0.27 0.97 0.15 0.01 0.00 0.00 175.26 176.62 2kq2 s LYS 114 N 0.03 3.40 0.33 1.61 3.01 -1.26 -5.01 119.74 121.85 2kq2 s LYS 114 Ca -0.06 -0.10 0.08 0.00 -1.01 0.00 0.00 55.97 54.88 2kq2 s LYS 114 Cb -0.13 -4.02 -0.06 0.00 -1.01 0.00 0.00 37.83 32.61 2kq2 s LYS 114 CO 0.03 -1.45 -0.06 0.14 0.51 0.00 0.00 175.35 174.53 2kq2 s VAL 115 N 4.04 1.90 0.18 3.17 -7.23 -1.26 -5.10 120.40 116.09 2kq2 s VAL 115 Ca 0.33 -2.13 -0.31 0.00 -1.81 0.00 0.00 61.98 58.06 2kq2 s VAL 115 Cb -0.11 -2.63 -0.17 0.00 0.56 0.00 0.00 36.38 34.03 2kq2 s VAL 115 CO 0.22 -0.20 0.83 0.29 -0.31 0.00 0.00 175.10 175.92 2kq2 n LYS 116 N -0.73 0.48 -1.53 4.82 4.76 -1.26 -4.76 118.16 119.94 2kq2 n LYS 116 Ca -0.05 0.17 -0.43 0.00 -2.87 0.00 0.00 58.31 55.13 2kq2 n LYS 116 Cb 0.64 -1.42 -0.00 0.00 -1.84 0.00 0.00 35.03 32.41 2kq2 n LYS 116 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kq2 n ALA 117 N 0.58 -0.79 -0.09 7.82 0.00 -1.26 -4.95 120.51 121.82 2kq2 n ALA 117 Ca 0.16 0.29 -0.14 0.00 0.00 0.00 0.00 53.44 53.75 2kq2 n ALA 117 Cb 0.24 -1.92 -0.07 0.00 0.00 0.00 0.00 19.45 17.70 2kq2 n ALA 117 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2kq2 n HIS 118 N -0.27 0.90 0.00 0.00 8.25 -1.26 -4.94 115.22 117.90 2kq2 n HIS 118 Ca 0.11 0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 2kq2 n HIS 118 Cb 0.35 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.53 2kq2 n HIS 118 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2kq2 n SER 119 N -4.51 0.00 -1.61 0.41 7.64 -1.26 -5.08 113.62 109.22 2kq2 n SER 119 Ca -0.22 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.66 2kq2 n SER 119 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.06 0.55 3.87 0.23 0.00 -1.26 -5.06 105.19 103.58 2kq2 n GLY 120 Ca 0.00 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.82 5.88 0.47 1.61 3.84 -1.26 -4.79 114.94 117.86 2kq2 s ASN 121 Ca 0.02 1.31 0.13 0.00 0.21 0.00 0.00 52.86 54.53 2kq2 s ASN 121 Cb -0.00 -2.25 1.09 0.00 -0.55 0.00 0.00 41.25 39.53 2kq2 s ASN 121 CO 0.05 -1.08 2.09 -0.33 -2.79 0.00 0.00 177.10 175.03 2kq2 h GLU 122 N -0.47 0.17 -0.02 0.43 5.08 -1.99 0.15 114.58 117.93 2kq2 h GLU 122 Ca -0.44 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 57.72 2kq2 h GLU 122 Cb 1.22 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2kq2 h GLU 122 CO 0.63 0.15 -0.79 0.74 -1.00 0.00 0.00 179.01 178.73 2kq2 h PHE 123 N 0.17 0.26 -0.07 4.33 0.04 -1.93 -2.91 116.94 116.83 2kq2 h PHE 123 Ca 0.05 -0.13 -0.05 0.00 2.80 0.00 0.00 57.97 60.63 2kq2 h PHE 123 Cb 0.04 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2kq2 h PHE 123 CO 0.00 0.90 -0.17 -0.91 -0.60 0.00 0.00 178.31 177.53 2kq2 h ASN 124 N 0.11 0.27 -0.25 2.17 4.21 -1.07 -3.02 115.58 118.01 2kq2 h ASN 124 Ca -0.03 -0.58 -0.03 0.00 1.21 0.00 0.00 56.30 56.87 2kq2 h ASN 124 Cb 1.38 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 38.49 2kq2 h ASN 124 CO 0.12 0.80 0.08 0.44 -1.29 0.00 0.00 177.43 177.58 2kq2 h ASP 125 N -0.25 0.42 -0.50 5.81 3.32 -0.93 -2.47 116.42 121.82 2kq2 h ASP 125 Ca -0.00 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2kq2 h ASP 125 Cb 0.77 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2kq2 h ASP 125 CO 0.04 0.43 0.29 0.22 -1.72 0.00 0.00 179.24 178.49 2kq2 h TYR 126 N 0.46 0.68 0.06 4.55 3.20 -1.39 0.24 116.97 124.76 2kq2 h TYR 126 Ca 0.11 -0.01 -0.25 0.00 3.14 0.00 0.00 58.73 61.72 2kq2 h TYR 126 Cb 0.18 -0.22 0.01 0.00 1.54 0.00 0.00 36.73 38.23 2kq2 h TYR 126 CO 0.01 0.50 -1.07 -0.24 -1.64 0.00 0.00 178.16 175.71 2kq2 h VAL 127 N 0.67 1.41 -0.08 1.81 3.04 -1.41 -3.07 116.25 118.61 2kq2 h VAL 127 Ca 0.18 -2.62 -0.15 0.00 -1.01 0.00 0.00 66.70 63.10 2kq2 h VAL 127 Cb 0.03 2.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.90 2kq2 h VAL 127 CO -0.03 0.78 -0.61 -0.78 -1.01 0.00 0.00 177.57 175.92 2kq2 h ASP 128 N 0.19 0.31 -0.56 3.17 3.58 -1.26 -1.75 116.42 120.10 2kq2 h ASP 128 Ca -0.11 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.14 2kq2 h ASP 128 Cb 1.74 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 42.67 2kq2 h ASP 128 CO 0.19 0.84 0.30 -0.03 -2.88 0.00 0.00 179.24 177.66 2kq2 h MET 129 N 0.20 0.81 -0.34 0.28 4.05 -0.57 0.14 114.93 119.51 2kq2 h MET 129 Ca -0.01 -0.09 -0.12 0.00 -0.28 0.00 0.00 59.70 59.21 2kq2 h MET 129 Cb 1.12 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.75 2kq2 h MET 129 CO 0.10 0.61 -0.24 -0.22 0.23 0.00 0.00 176.91 177.38 2kq2 h LYS 130 N 0.81 0.76 -0.08 0.39 3.11 -1.38 -2.45 116.57 117.73 2kq2 h LYS 130 Ca 0.21 -0.37 0.01 0.00 -2.81 0.00 0.00 60.65 57.69 2kq2 h LYS 130 Cb 0.05 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.27 2kq2 h LYS 130 CO -0.03 0.99 -0.00 0.00 -2.81 0.00 0.00 179.45 177.60 2kq2 h ALA 131 N 0.75 0.07 -0.49 5.00 0.00 -0.44 0.44 119.26 124.59 2kq2 h ALA 131 Ca 0.06 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2kq2 h ALA 131 Cb 0.81 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 2kq2 h ALA 131 CO 0.07 -0.47 0.10 0.87 0.00 0.00 0.00 179.25 179.82 2kq2 h LYS 132 N 0.03 0.24 -0.80 0.00 6.56 -0.76 -0.45 116.57 121.39 2kq2 h LYS 132 Ca 0.04 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.58 2kq2 h LYS 132 Cb 0.04 -0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 31.61 2kq2 h LYS 132 CO -0.06 0.16 0.37 0.77 -2.06 0.00 0.00 179.45 178.62 2kq2 h SER 133 N 0.24 1.05 1.14 0.86 0.02 -0.95 0.14 113.55 116.05 2kq2 h SER 133 Ca 0.25 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2kq2 h SER 133 Cb 0.32 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2kq2 h SER 133 CO -0.32 0.89 0.00 0.00 -1.14 0.00 0.00 176.83 176.27 2kq2 h ALA 134 N 1.26 1.00 -0.00 3.77 0.00 -0.10 -2.36 119.26 122.83 2kq2 h ALA 134 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2kq2 h ALA 134 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2kq2 h ALA 134 CO -0.03 0.00 -0.45 1.28 0.00 0.00 0.00 179.25 180.05 2kq2 n LEU 135 N -2.93 0.89 0.00 0.00 4.77 -0.25 -4.90 117.00 114.57 2kq2 n LEU 135 Ca 0.02 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 2kq2 n LEU 135 Cb 0.33 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2kq2 n LEU 135 CO 0.27 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2kq2 n GLY 136 N 1.43 0.71 3.90 -0.72 0.00 -0.84 -5.04 105.19 104.63 2kq2 n GLY 136 Ca 0.08 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 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 5.39 0.70 -0.61 1.01 0.38 -5.01 121.20 121.06 2kq2 s ILE 137 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.52 2kq2 s ILE 137 Cb 0.00 -3.55 0.15 0.00 0.01 0.00 0.00 42.46 39.07 2kq2 s ILE 137 CO 0.00 0.33 0.96 0.54 0.00 0.00 0.00 174.94 176.76 2kq2 n ARG 138 N 0.96 -0.57 -1.76 2.79 3.00 -1.26 -3.95 116.66 115.87 2kq2 n ARG 138 Ca -0.11 -1.91 -0.41 0.00 -0.01 0.00 0.00 57.85 55.41 2kq2 n ARG 138 Cb 0.53 -0.85 -0.00 0.00 0.00 0.00 0.00 32.46 32.13 2kq2 n ARG 138 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 2kq2 n ASP 139 N -3.35 3.59 0.02 0.55 5.75 -1.26 -4.90 116.55 116.95 2kq2 n ASP 139 Ca 0.13 1.22 -0.01 0.00 -0.01 0.00 0.00 54.79 56.13 2kq2 n ASP 139 Cb 0.47 -1.59 -0.00 0.00 -1.03 0.00 0.00 41.12 38.96 2kq2 n ASP 139 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2kq2 h LEU 140 N 2.87 -0.05 -3.62 -2.12 -0.00 -2.01 -3.38 115.31 107.01 2kq2 h LEU 140 Ca -0.50 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.12 2kq2 h LEU 140 Cb 1.25 0.01 -0.15 0.00 -0.00 0.00 0.00 40.66 41.77 2kq2 h LEU 140 CO 0.64 -0.01 0.23 1.21 -0.00 0.00 0.00 178.44 180.50 2kq2 n GLU 141 N -2.30 2.60 -3.21 1.13 4.07 -1.26 -4.94 120.64 116.74 2kq2 n GLU 141 Ca -0.01 -3.07 -0.23 0.00 -0.06 0.00 0.00 57.16 53.80 2kq2 n GLU 141 Cb 0.02 -2.03 0.00 0.00 -0.06 0.00 0.00 31.44 29.38 2kq2 n GLU 141 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 2kq2 s HIS 142 N -3.14 3.30 -0.63 4.31 3.76 -1.26 -4.97 115.29 116.65 2kq2 s HIS 142 Ca 0.51 0.20 -0.07 0.00 -0.15 0.00 0.00 55.06 55.55 2kq2 s HIS 142 Cb 0.43 -2.11 -0.13 0.00 1.11 0.00 0.00 32.58 31.88 2kq2 s HIS 142 CO 0.08 -0.14 3.18 1.58 -0.85 0.00 0.00 174.74 178.59 2kq2 n HIS 143 N -1.91 1.17 -2.01 1.40 -0.00 -1.26 -4.85 115.22 107.76 2kq2 n HIS 143 Ca -0.01 -2.12 -0.38 0.00 0.46 0.00 0.00 57.72 55.66 2kq2 n HIS 143 Cb 0.57 -1.82 -0.03 0.00 -0.12 0.00 0.00 29.99 28.60 2kq2 n HIS 143 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kq2 n HIS 144 N 2.41 3.37 -4.13 1.57 -0.00 -1.26 -4.85 115.22 112.33 2kq2 n HIS 144 Ca 0.55 -2.26 -0.15 0.00 -0.00 0.00 0.00 57.72 55.86 2kq2 n HIS 144 Cb 0.61 -2.45 -0.12 0.00 -0.00 0.00 0.00 29.99 28.02 2kq2 n HIS 144 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kq2 s HIS 145 N 6.24 0.69 -1.19 1.57 3.76 -1.26 -5.03 115.29 120.08 2kq2 s HIS 145 Ca 0.58 -0.37 0.05 0.00 -0.15 0.00 0.00 55.06 55.17 2kq2 s HIS 145 Cb 0.06 -0.42 0.24 0.00 1.11 0.00 0.00 32.58 33.57 2kq2 s HIS 145 CO 0.07 -0.04 0.98 0.72 -0.85 0.00 0.00 174.74 175.62 2kq2 n HIS 146 N 1.93 0.53 -1.23 1.40 8.25 -1.26 -5.29 115.22 119.55 2kq2 n HIS 146 Ca -0.19 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 2kq2 n HIS 146 Cb 0.56 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.52 2kq2 n HIS 146 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56