#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 3.54 -0.91 6.12 1.11 -1.26 -5.07 116.67 120.20 2kq2 s ASP 2 Ca 0.00 -1.42 -0.18 0.00 0.18 0.00 0.00 52.55 51.14 2kq2 s ASP 2 Cb 0.00 -0.41 0.15 0.00 1.07 0.00 0.00 42.92 43.73 2kq2 s ASP 2 CO 0.00 -0.42 1.06 1.51 1.18 0.00 0.00 175.17 178.50 2kq2 s ASP 3 N 1.94 6.67 0.00 0.27 -4.77 -1.26 -4.75 116.67 114.78 2kq2 s ASP 3 Ca 0.10 -2.20 0.07 0.00 -3.30 0.00 0.00 52.55 47.22 2kq2 s ASP 3 Cb -0.17 -2.36 0.10 0.00 -1.09 0.00 0.00 42.92 39.41 2kq2 s ASP 3 CO -0.32 -0.95 0.87 0.54 0.70 0.00 0.00 175.17 176.01 2kq2 n ARG 4 N 5.99 0.94 -2.47 2.11 1.74 -1.26 -5.02 116.66 118.68 2kq2 n ARG 4 Ca 0.22 -1.23 -0.26 0.00 -0.77 0.00 0.00 57.85 55.80 2kq2 n ARG 4 Cb 0.49 -1.15 0.03 0.00 -1.02 0.00 0.00 32.46 30.80 2kq2 n ARG 4 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2kq2 s THR 5 N -0.74 3.86 0.04 0.55 -1.32 -1.26 -4.99 115.64 111.77 2kq2 s THR 5 Ca 0.11 -0.01 -0.31 0.00 -1.21 0.00 0.00 61.69 60.27 2kq2 s THR 5 Cb 0.07 -3.51 -0.10 0.00 -1.51 0.00 0.00 72.50 67.45 2kq2 s THR 5 CO 0.10 -0.51 1.95 -0.62 -2.21 0.00 0.00 174.62 173.33 2kq2 n GLU 6 N -2.50 2.79 -2.38 7.08 4.71 -1.26 -4.94 120.64 124.14 2kq2 n GLU 6 Ca 0.04 1.02 -0.39 0.00 -0.01 0.00 0.00 57.16 57.82 2kq2 n GLU 6 Cb 0.57 -2.96 -0.03 0.00 -1.01 0.00 0.00 31.44 28.01 2kq2 n GLU 6 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2kq2 s TYR 7 N 4.20 3.29 -0.75 -0.32 2.02 -1.26 -4.98 117.35 119.56 2kq2 s TYR 7 Ca 0.89 1.61 -0.19 0.00 -0.37 0.00 0.00 57.07 59.01 2kq2 s TYR 7 Cb -0.47 -3.34 0.13 0.00 -0.40 0.00 0.00 41.96 37.87 2kq2 s TYR 7 CO 0.43 -0.98 0.89 0.34 -1.57 0.00 0.00 175.55 174.65 2kq2 s ASP 8 N -1.03 6.41 -0.18 2.29 2.15 -1.25 -4.64 116.67 120.43 2kq2 s ASP 8 Ca 0.51 -1.76 -0.16 0.00 0.43 0.00 0.00 52.55 51.57 2kq2 s ASP 8 Cb -0.31 -2.34 -0.04 0.00 -0.30 0.00 0.00 42.92 39.93 2kq2 s ASP 8 CO 0.39 -1.06 0.38 -0.69 -0.17 0.00 0.00 175.17 174.02 2kq2 s VAL 9 N 2.49 5.22 0.75 1.11 1.01 -1.26 -4.25 120.40 125.48 2kq2 s VAL 9 Ca 0.21 0.70 -0.05 0.00 0.00 0.00 0.00 61.98 62.84 2kq2 s VAL 9 Cb -0.15 -3.72 0.12 0.00 0.00 0.00 0.00 36.38 32.64 2kq2 s VAL 9 CO -0.01 0.29 1.05 -0.31 0.00 0.00 0.00 175.10 176.12 2kq2 s TYR 10 N 1.02 1.92 0.00 5.22 2.02 -1.09 -4.31 117.35 122.13 2kq2 s TYR 10 Ca 0.19 -0.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.88 2kq2 s TYR 10 Cb -0.14 -3.24 0.00 0.00 -0.40 0.00 0.00 41.96 38.18 2kq2 s TYR 10 CO 0.07 -1.78 0.00 -2.37 -1.57 0.00 0.00 175.55 169.90 2kq2 n THR 11 N -3.00 0.00 -2.31 -0.71 5.66 -1.26 -3.95 114.28 108.71 2kq2 n THR 11 Ca 0.13 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.78 2kq2 n THR 11 Cb 0.60 -0.66 -0.03 0.00 -1.55 0.00 0.00 70.33 68.69 2kq2 n THR 11 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2kq2 s ASP 12 N -1.84 5.89 0.00 1.09 -4.77 -1.26 -3.70 116.67 112.08 2kq2 s ASP 12 Ca 0.00 -1.98 0.00 0.00 -3.30 0.00 0.00 52.55 47.27 2kq2 s ASP 12 Cb 0.00 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.25 2kq2 s ASP 12 CO 0.00 -2.16 0.00 0.61 0.70 0.00 0.00 175.17 174.32 2kq2 n GLY 13 N 5.69 2.05 0.50 2.12 0.00 -1.26 -4.21 105.19 110.08 2kq2 n GLY 13 Ca 0.46 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.06 1.61 3.41 -0.59 -4.86 113.62 109.13 2kq2 n SER 14 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 2kq2 n SER 14 Cb 0.00 0.13 -0.08 0.00 -0.26 0.00 0.00 64.21 64.00 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 -0.34 0.65 -0.10 7.33 1.13 -1.05 -3.27 117.35 121.71 2kq2 s TYR 15 Ca 0.00 -0.98 -0.08 0.00 -1.41 0.00 0.00 57.07 54.60 2kq2 s TYR 15 Cb 0.00 -0.18 0.03 0.00 -1.10 0.00 0.00 41.96 40.71 2kq2 s TYR 15 CO 0.00 -0.75 0.25 0.54 -2.51 0.00 0.00 175.55 173.08 2kq2 s VAL 16 N -4.04 -0.01 -1.87 -3.49 0.11 0.38 -4.68 120.40 106.79 2kq2 s VAL 16 Ca 0.26 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 2kq2 s VAL 16 Cb 0.04 -0.36 0.00 0.00 -1.53 0.00 0.00 36.38 34.53 2kq2 s VAL 16 CO 0.06 0.02 0.00 0.59 -3.33 0.00 0.00 175.10 172.44 2kq2 n ASN 17 N 3.27 -5.66 0.00 3.54 3.02 -1.26 -0.62 115.26 117.55 2kq2 n ASN 17 Ca -0.16 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 2kq2 n ASN 17 Cb 0.57 -4.77 0.00 0.00 -0.61 0.00 0.00 39.78 34.97 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 -0.84 1.73 3.79 7.41 0.00 -1.26 -5.01 105.19 111.01 2kq2 n GLY 18 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.02 3.54 0.08 1.61 -1.52 0.21 -5.09 119.66 118.47 2kq2 s GLN 19 Ca 0.00 -0.22 0.10 0.00 -1.95 0.00 0.00 55.36 53.29 2kq2 s GLN 19 Cb 0.00 -3.16 -0.03 0.00 -0.22 0.00 0.00 33.01 29.60 2kq2 s GLN 19 CO 0.00 0.63 -0.27 1.52 -0.25 0.00 0.00 175.29 176.92 2kq2 s TYR 20 N -0.60 2.31 0.22 0.91 1.13 -1.26 -0.47 117.35 119.59 2kq2 s TYR 20 Ca 0.12 -0.40 -0.16 0.00 -1.41 0.00 0.00 57.07 55.21 2kq2 s TYR 20 Cb -0.12 -1.33 0.02 0.00 -1.10 0.00 0.00 41.96 39.43 2kq2 s TYR 20 CO 0.02 0.21 0.54 0.00 -2.51 0.00 0.00 175.55 173.81 2kq2 s ALA 21 N -0.91 -0.76 -0.17 9.51 0.00 -1.26 -4.19 121.76 123.99 2kq2 s ALA 21 Ca 0.13 -0.45 -0.06 0.00 0.00 0.00 0.00 51.96 51.57 2kq2 s ALA 21 Cb -0.10 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 2kq2 s ALA 21 CO 0.04 -0.86 0.03 1.67 0.00 0.00 0.00 175.76 176.64 2kq2 s TRP 22 N -3.93 3.18 0.15 0.00 1.48 0.14 -2.53 118.94 117.44 2kq2 s TRP 22 Ca 0.14 -0.04 -0.25 0.00 -1.06 0.00 0.00 56.10 54.89 2kq2 s TRP 22 Cb -0.02 -2.04 0.06 0.00 -1.16 0.00 0.00 33.47 30.32 2kq2 s TRP 22 CO 0.02 0.10 0.88 0.00 -4.06 0.00 0.00 176.95 173.90 2kq2 s ALA 23 N 0.34 -1.61 -0.04 2.67 0.00 -1.26 -1.54 121.76 120.33 2kq2 s ALA 23 Ca 0.01 0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.92 2kq2 s ALA 23 Cb -0.13 0.65 0.11 0.00 0.00 0.00 0.00 23.12 23.75 2kq2 s ALA 23 CO 0.01 -0.96 0.90 1.52 0.00 0.00 0.00 175.76 177.23 2kq2 s TYR 24 N -3.39 -0.37 -0.27 0.00 -0.85 -1.24 -1.84 117.35 109.39 2kq2 s TYR 24 Ca 0.10 0.34 -0.04 0.00 -0.52 0.00 0.00 57.07 56.95 2kq2 s TYR 24 Cb -0.02 0.51 0.10 0.00 0.38 0.00 0.00 41.96 42.93 2kq2 s TYR 24 CO -0.00 -0.51 0.16 0.00 -1.52 0.00 0.00 175.55 173.68 2kq2 s ALA 25 N -2.62 0.34 -0.44 9.51 0.00 -1.25 -4.00 121.76 123.29 2kq2 s ALA 25 Ca 0.03 -0.75 -0.22 0.00 0.00 0.00 0.00 51.96 51.03 2kq2 s ALA 25 Cb -0.01 -1.40 0.03 0.00 0.00 0.00 0.00 23.12 21.74 2kq2 s ALA 25 CO -0.06 -1.56 0.70 -0.06 0.00 0.00 0.00 175.76 174.79 2kq2 s PHE 26 N 2.17 3.03 -0.04 0.00 0.40 -1.25 -2.68 117.98 119.60 2kq2 s PHE 26 Ca 0.08 0.03 0.03 0.00 -0.60 0.00 0.00 56.93 56.47 2kq2 s PHE 26 Cb -0.16 -3.48 0.00 0.00 0.51 0.00 0.00 43.02 39.89 2kq2 s PHE 26 CO -0.30 -0.92 -0.12 0.54 0.70 0.00 0.00 175.22 175.12 2kq2 s VAL 27 N 3.02 1.03 -0.08 -0.44 0.11 -1.26 -0.83 120.40 121.95 2kq2 s VAL 27 Ca 0.26 -0.47 -0.07 0.00 -2.93 0.00 0.00 61.98 58.76 2kq2 s VAL 27 Cb -0.13 -0.92 0.02 0.00 -1.53 0.00 0.00 36.38 33.82 2kq2 s VAL 27 CO 0.20 0.32 0.20 -1.59 -3.33 0.00 0.00 175.10 170.90 2kq2 s LYS 28 N 0.30 0.24 -0.87 1.54 0.00 -0.20 -3.80 119.74 116.94 2kq2 s LYS 28 Ca -0.06 0.28 0.00 0.00 0.00 0.00 0.00 55.97 56.19 2kq2 s LYS 28 Cb -0.11 0.11 0.00 0.00 0.00 0.00 0.00 37.83 37.83 2kq2 s LYS 28 CO 0.02 -0.03 0.00 -3.47 0.00 0.00 0.00 175.35 171.87 2kq2 n ASP 29 N 2.98 -5.09 0.00 0.03 2.03 -1.26 -0.89 116.55 114.35 2kq2 n ASP 29 Ca -0.13 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.39 2kq2 n ASP 29 Cb 0.59 -3.32 0.00 0.00 -0.72 0.00 0.00 41.12 37.67 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 -0.51 0.91 3.80 0.27 0.00 -1.26 -5.04 105.19 103.36 2kq2 n GLY 30 Ca -0.08 0.00 -0.37 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 -0.45 3.93 -0.20 1.61 3.01 -0.07 -5.07 119.74 122.50 2kq2 s LYS 31 Ca 0.00 0.10 -0.05 0.00 -1.01 0.00 0.00 55.97 55.01 2kq2 s LYS 31 Cb 0.00 -3.30 -0.02 0.00 -1.01 0.00 0.00 37.83 33.50 2kq2 s LYS 31 CO 0.00 0.52 -0.01 0.54 0.51 0.00 0.00 175.35 176.91 2kq2 s VAL 32 N -0.38 3.83 -0.05 3.17 0.11 -1.26 -1.03 120.40 124.79 2kq2 s VAL 32 Ca 0.17 -0.35 -0.26 0.00 -2.93 0.00 0.00 61.98 58.61 2kq2 s VAL 32 Cb -0.14 -2.73 -0.22 0.00 -1.53 0.00 0.00 36.38 31.77 2kq2 s VAL 32 CO 0.06 0.43 1.13 -0.74 -3.33 0.00 0.00 175.10 172.65 2kq2 h HIS 33 N 7.57 0.07 -3.44 1.54 2.76 -1.38 -3.46 115.15 118.81 2kq2 h HIS 33 Ca -0.36 -0.03 -0.20 0.00 -2.20 0.00 0.00 60.37 57.58 2kq2 h HIS 33 Cb 1.18 -0.01 -0.27 0.00 1.55 0.00 0.00 27.41 29.86 2kq2 h HIS 33 CO 0.59 0.69 -0.57 0.71 -1.30 0.00 0.00 177.93 178.04 2kq2 s TYR 34 N -3.64 -0.12 -0.12 5.26 1.51 -1.26 -5.05 117.35 113.93 2kq2 s TYR 34 Ca -0.16 0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 56.19 2kq2 s TYR 34 Cb 0.01 0.04 0.03 0.00 -0.11 0.00 0.00 41.96 41.93 2kq2 s TYR 34 CO 0.69 -0.07 -0.06 -1.83 -1.11 0.00 0.00 175.55 173.17 2kq2 s GLU 35 N -0.00 1.34 0.04 -0.62 1.03 -1.26 -3.90 118.70 115.32 2kq2 s GLU 35 Ca -0.01 -0.23 -0.28 0.00 0.03 0.00 0.00 54.97 54.48 2kq2 s GLU 35 Cb -0.01 -1.56 0.09 0.00 -0.80 0.00 0.00 34.13 31.85 2kq2 s GLU 35 CO 0.00 -0.31 0.93 0.34 -1.33 0.00 0.00 175.26 174.90 2kq2 s ASP 36 N 1.75 -0.29 -0.29 0.83 -1.08 -1.26 -4.96 116.67 111.38 2kq2 s ASP 36 Ca 0.04 -0.13 -0.11 0.00 -0.52 0.00 0.00 52.55 51.84 2kq2 s ASP 36 Cb -0.13 0.40 0.12 0.00 -1.46 0.00 0.00 42.92 41.85 2kq2 s ASP 36 CO -0.08 -0.69 0.64 0.00 0.52 0.00 0.00 175.17 175.56 2kq2 s ALA 37 N -3.13 -1.94 0.08 3.66 0.00 -1.26 -3.64 121.76 115.52 2kq2 s ALA 37 Ca 0.08 2.29 0.04 0.00 0.00 0.00 0.00 51.96 54.36 2kq2 s ALA 37 Cb -0.01 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 2kq2 s ALA 37 CO -0.05 -0.83 -0.11 0.34 0.00 0.00 0.00 175.76 175.11 2kq2 s ASP 38 N 2.67 1.46 0.82 0.00 2.15 -0.59 -4.57 116.67 118.62 2kq2 s ASP 38 Ca -0.06 -0.72 -0.10 0.00 0.43 0.00 0.00 52.55 52.10 2kq2 s ASP 38 Cb -0.11 -0.01 0.13 0.00 -0.30 0.00 0.00 42.92 42.64 2kq2 s ASP 38 CO -0.19 -0.19 1.15 0.68 -0.17 0.00 0.00 175.17 176.45 2kq2 s VAL 39 N -1.94 2.11 -1.02 1.11 -7.23 -1.26 -0.68 120.40 111.49 2kq2 s VAL 39 Ca 0.01 -0.21 -0.23 0.00 -1.81 0.00 0.00 61.98 59.74 2kq2 s VAL 39 Cb -0.06 -2.89 -0.03 0.00 0.56 0.00 0.00 36.38 33.96 2kq2 s VAL 39 CO 0.01 0.00 1.83 -0.83 -0.31 0.00 0.00 175.10 175.80 2kq2 s GLY 40 N -4.72 0.50 0.00 2.32 0.00 -1.26 -4.64 107.32 99.52 2kq2 s GLY 40 Ca 0.67 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 43.49 2kq2 s GLY 40 CO 0.48 3.29 0.00 0.28 0.00 0.00 0.00 173.10 177.15 2kq2 n LYS 41 N 8.70 0.97 -1.62 2.90 5.02 -1.26 -5.05 118.16 127.82 2kq2 n LYS 41 Ca 0.40 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.32 2kq2 n LYS 41 Cb 0.48 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.55 2kq2 n LYS 41 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2kq2 n ASN 42 N -2.42 1.27 0.16 4.39 5.15 -1.26 -4.85 115.26 117.70 2kq2 n ASN 42 Ca 0.00 0.79 0.10 0.00 -0.60 0.00 0.00 54.58 54.86 2kq2 n ASN 42 Cb 0.00 -1.46 0.51 0.00 -0.53 0.00 0.00 39.78 38.30 2kq2 n ASN 42 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2kq2 n PRO 43 N -1.59 0.12 -0.18 1.20 -0.04 -1.26 -1.81 135.00 131.46 2kq2 n PRO 43 Ca 0.15 0.61 -0.03 0.00 -0.04 0.00 0.00 63.50 64.19 2kq2 n PRO 43 Cb 0.48 -1.99 0.06 0.00 -0.04 0.00 0.00 33.50 32.02 2kq2 n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kq2 h ALA 44 N 1.77 0.68 -0.00 0.55 0.00 -1.99 0.65 119.26 120.92 2kq2 h ALA 44 Ca 0.00 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2kq2 h ALA 44 Cb 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2kq2 h ALA 44 CO 0.00 -0.11 -0.71 0.00 0.00 0.00 0.00 179.25 178.43 2kq2 h ALA 45 N 1.31 0.82 0.00 0.00 0.00 -1.64 0.31 119.26 120.06 2kq2 h ALA 45 Ca 0.24 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2kq2 h ALA 45 Cb 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kq2 h ALA 45 CO -0.19 0.89 -0.16 0.00 0.00 0.00 0.00 179.25 179.79 2kq2 h ALA 46 N 1.28 1.00 0.00 0.00 0.00 -1.45 -3.24 119.26 116.85 2kq2 h ALA 46 Ca -0.01 -0.15 -0.39 0.00 0.00 0.00 0.00 54.91 54.36 2kq2 h ALA 46 Cb 1.26 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 2kq2 h ALA 46 CO 0.09 0.20 -2.17 2.41 0.00 0.00 0.00 179.25 179.79 2kq2 n THR 47 N -3.28 1.54 -2.21 0.00 -1.04 0.16 -4.59 114.28 104.84 2kq2 n THR 47 Ca 0.01 -0.30 -0.42 0.00 -2.04 0.00 0.00 64.05 61.30 2kq2 n THR 47 Cb 0.42 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.03 2kq2 n THR 47 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 2kq2 n MET 48 N -4.24 3.79 -2.35 -2.82 2.81 0.11 -4.92 117.12 109.50 2kq2 n MET 48 Ca -0.47 -3.44 -0.35 0.00 -1.81 0.00 0.00 57.70 51.62 2kq2 n MET 48 Cb 0.84 -2.88 -0.04 0.00 -0.71 0.00 0.00 33.22 30.43 2kq2 n MET 48 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2kq2 s ARG 49 N 0.22 3.17 -0.01 0.03 0.52 -1.22 -4.71 118.95 116.94 2kq2 s ARG 49 Ca 0.43 -0.84 -0.08 0.00 -0.52 0.00 0.00 55.73 54.72 2kq2 s ARG 49 Cb 0.12 -5.25 -0.04 0.00 0.52 0.00 0.00 34.95 30.30 2kq2 s ARG 49 CO -0.02 -2.72 0.55 -0.91 0.02 0.00 0.00 175.30 172.22 2kq2 h ASN 50 N 10.27 -0.24 -0.14 0.23 4.21 -1.91 -0.90 115.58 127.10 2kq2 h ASN 50 Ca 0.17 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.69 2kq2 h ASN 50 Cb 1.00 0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 38.25 2kq2 h ASN 50 CO 1.34 -0.04 0.09 0.58 -1.29 0.00 0.00 177.43 178.11 2kq2 h VAL 51 N -0.54 1.05 0.00 2.81 2.07 -1.98 -1.60 116.25 118.05 2kq2 h VAL 51 Ca -0.03 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2kq2 h VAL 51 Cb 0.21 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2kq2 h VAL 51 CO 0.05 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.68 2kq2 n ALA 52 N -2.14 1.59 -0.26 1.67 0.00 -1.26 -3.23 120.51 116.87 2kq2 n ALA 52 Ca -0.04 0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.48 2kq2 n ALA 52 Cb 0.04 -1.35 0.22 0.00 0.00 0.00 0.00 19.45 18.36 2kq2 n ALA 52 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kq2 h GLY 53 N 2.02 1.18 1.95 0.00 0.00 -0.11 -0.57 103.07 107.54 2kq2 h GLY 53 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 2kq2 h GLY 53 CO 0.00 0.39 -0.25 1.05 0.00 0.00 0.00 176.54 177.73 2kq2 h GLU 54 N 1.08 0.07 -0.24 4.80 4.11 -1.67 0.24 114.58 122.96 2kq2 h GLU 54 Ca 0.32 -0.02 -0.15 0.00 0.07 0.00 0.00 59.36 59.58 2kq2 h GLU 54 Cb -0.05 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2kq2 h GLU 54 CO -0.08 0.32 -0.45 0.82 0.07 0.00 0.00 179.01 179.68 2kq2 h ILE 55 N 0.06 1.30 0.00 -1.06 1.08 -1.35 0.26 117.51 117.81 2kq2 h ILE 55 Ca 0.01 -1.65 -0.11 0.00 -0.39 0.00 0.00 64.86 62.72 2kq2 h ILE 55 Cb 0.48 1.61 -0.02 0.00 -3.07 0.00 0.00 36.82 35.82 2kq2 h ILE 55 CO 0.03 0.52 -0.51 0.00 -0.69 0.00 0.00 178.15 177.50 2kq2 h ALA 56 N 1.00 1.08 0.13 1.87 0.00 -0.38 -1.67 119.26 121.29 2kq2 h ALA 56 Ca 0.03 -0.47 -0.29 0.00 0.00 0.00 0.00 54.91 54.19 2kq2 h ALA 56 Cb 0.99 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.71 2kq2 h ALA 56 CO 0.09 0.64 -1.24 0.00 0.00 0.00 0.00 179.25 178.74 2kq2 h ALA 57 N 1.49 0.06 0.00 0.00 0.00 -0.72 -3.22 119.26 116.87 2kq2 h ALA 57 Ca -0.01 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 2kq2 h ALA 57 Cb 0.95 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2kq2 h ALA 57 CO 0.07 0.79 -0.04 0.00 0.00 0.00 0.00 179.25 180.07 2kq2 h ALA 58 N 0.43 1.05 -0.96 0.00 0.00 -0.27 -3.02 119.26 116.48 2kq2 h ALA 58 Ca -0.17 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 54.95 2kq2 h ALA 58 Cb 1.92 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.64 2kq2 h ALA 58 CO 0.22 0.05 0.64 1.25 0.00 0.00 0.00 179.25 181.42 2kq2 h LEU 59 N 0.00 0.32 -0.11 0.00 5.85 -1.32 0.15 115.31 120.21 2kq2 h LEU 59 Ca -0.00 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2kq2 h LEU 59 Cb 0.38 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2kq2 h LEU 59 CO 0.01 0.10 0.06 0.22 -0.34 0.00 0.00 178.44 178.49 2kq2 h TYR 60 N 0.31 0.14 -0.03 1.25 3.20 -1.74 0.18 116.97 120.27 2kq2 h TYR 60 Ca 0.51 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.29 2kq2 h TYR 60 Cb 1.43 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.65 2kq2 h TYR 60 CO -0.00 0.13 -0.36 0.00 -1.64 0.00 0.00 178.16 176.29 2kq2 h ALA 61 N 1.00 1.34 -0.28 1.82 0.00 -1.04 0.80 119.26 122.90 2kq2 h ALA 61 Ca 0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2kq2 h ALA 61 Cb 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2kq2 h ALA 61 CO -0.01 0.48 0.05 0.28 0.00 0.00 0.00 179.25 180.06 2kq2 h VAL 62 N 0.06 1.23 -0.14 0.00 2.07 -0.39 -0.50 116.25 118.58 2kq2 h VAL 62 Ca 0.00 -0.77 -0.10 0.00 0.82 0.00 0.00 66.70 66.66 2kq2 h VAL 62 Cb 0.67 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2kq2 h VAL 62 CO 0.05 0.25 -0.36 0.50 0.02 0.00 0.00 177.57 178.03 2kq2 h LYS 63 N 0.29 0.28 -0.28 1.57 3.64 -0.31 -1.78 116.57 119.98 2kq2 h LYS 63 Ca 0.09 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2kq2 h LYS 63 Cb 0.32 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2kq2 h LYS 63 CO 0.00 0.61 0.10 -0.22 -2.27 0.00 0.00 179.45 177.67 2kq2 h LYS 64 N 0.24 0.39 0.00 1.90 3.64 -0.57 -2.58 116.57 119.59 2kq2 h LYS 64 Ca 0.03 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 2kq2 h LYS 64 Cb 0.75 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 2kq2 h LYS 64 CO 0.06 0.34 -0.23 0.00 -2.27 0.00 0.00 179.45 177.34 2kq2 h ALA 65 N 1.72 1.60 -0.74 5.00 0.00 -0.16 0.16 119.26 126.85 2kq2 h ALA 65 Ca 0.10 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2kq2 h ALA 65 Cb 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2kq2 h ALA 65 CO -0.01 0.29 0.49 0.77 0.00 0.00 0.00 179.25 180.79 2kq2 h SER 66 N 0.00 0.85 0.65 0.00 0.02 -1.45 0.66 113.55 114.29 2kq2 h SER 66 Ca -0.00 -0.02 -0.27 0.00 -0.84 0.00 0.00 61.79 60.66 2kq2 h SER 66 Cb 0.42 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2kq2 h SER 66 CO 0.03 0.62 -1.34 1.56 -1.14 0.00 0.00 176.83 176.55 2kq2 h GLN 67 N 1.01 0.15 0.00 3.45 7.50 -1.31 -3.29 115.11 122.62 2kq2 h GLN 67 Ca 0.27 -0.25 -0.06 0.00 0.50 0.00 0.00 58.65 59.11 2kq2 h GLN 67 Cb -0.12 0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.50 2kq2 h GLN 67 CO -0.06 1.02 -0.28 1.25 -1.50 0.00 0.00 178.83 179.26 2kq2 h LEU 68 N 0.04 0.00 0.00 1.46 5.85 -0.28 -3.47 115.31 118.91 2kq2 h LEU 68 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2kq2 h LEU 68 Cb 1.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.97 2kq2 h LEU 68 CO 0.15 0.28 0.00 0.61 -0.34 0.00 0.00 178.44 179.14 2kq2 n GLY 69 N -0.27 1.48 3.02 3.75 0.00 0.13 -5.06 105.19 108.25 2kq2 n GLY 69 Ca -0.01 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 2kq2 n GLY 69 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kq2 s VAL 70 N -2.00 0.91 0.02 1.61 -7.23 -0.63 -5.05 120.40 108.03 2kq2 s VAL 70 Ca 0.00 -0.42 0.03 0.00 -1.81 0.00 0.00 61.98 59.78 2kq2 s VAL 70 Cb 0.00 -0.81 -0.02 0.00 0.56 0.00 0.00 36.38 36.12 2kq2 s VAL 70 CO 0.00 0.28 -0.10 -0.75 -0.31 0.00 0.00 175.10 174.22 2kq2 s LYS 71 N 0.23 0.73 0.15 4.82 2.20 -1.26 -4.21 119.74 122.40 2kq2 s LYS 71 Ca -0.04 -0.57 0.05 0.00 -0.36 0.00 0.00 55.97 55.05 2kq2 s LYS 71 Cb -0.10 -0.68 -0.04 0.00 -1.51 0.00 0.00 37.83 35.50 2kq2 s LYS 71 CO 0.01 0.17 0.10 0.96 -0.36 0.00 0.00 175.35 176.23 2kq2 s ILE 72 N -0.69 4.37 -0.66 5.43 -5.25 -1.15 -4.70 121.20 118.55 2kq2 s ILE 72 Ca -0.00 -1.09 -0.25 0.00 -0.99 0.00 0.00 60.65 58.32 2kq2 s ILE 72 Cb -0.06 -3.20 0.04 0.00 2.95 0.00 0.00 42.46 42.19 2kq2 s ILE 72 CO 0.00 -0.07 1.11 -0.13 -1.79 0.00 0.00 174.94 174.07 2kq2 s ARG 73 N -2.96 3.24 0.17 0.37 0.52 -1.26 -4.75 118.95 114.28 2kq2 s ARG 73 Ca 0.30 -0.35 -0.31 0.00 -0.52 0.00 0.00 55.73 54.85 2kq2 s ARG 73 Cb -0.10 -4.15 -0.09 0.00 0.52 0.00 0.00 34.95 31.13 2kq2 s ARG 73 CO 0.22 -1.87 1.43 0.96 0.02 0.00 0.00 175.30 176.07 2kq2 s ILE 74 N 4.82 2.96 -2.11 1.52 -4.36 -1.26 -1.48 121.20 121.29 2kq2 s ILE 74 Ca 0.31 0.73 0.00 0.00 -0.26 0.00 0.00 60.65 61.44 2kq2 s ILE 74 Cb -0.11 -3.47 0.00 0.00 1.25 0.00 0.00 42.46 40.13 2kq2 s ILE 74 CO 0.16 0.08 0.00 0.18 0.24 0.00 0.00 174.94 175.60 2kq2 n LEU 75 N 3.35 -1.56 -3.64 0.37 4.32 -1.26 -1.47 117.00 117.11 2kq2 n LEU 75 Ca 0.10 0.42 -0.22 0.00 -0.02 0.00 0.00 56.01 56.29 2kq2 n LEU 75 Cb 0.41 -2.84 0.06 0.00 -1.62 0.00 0.00 43.42 39.43 2kq2 n LEU 75 CO 0.60 -0.93 0.07 1.41 -1.22 0.00 0.00 177.39 177.32 2kq2 n HIS 76 N -2.63 -2.24 -2.07 -1.77 8.25 -0.55 -4.35 115.22 109.86 2kq2 n HIS 76 Ca -0.21 0.91 -0.00 0.00 -0.26 0.00 0.00 57.72 58.16 2kq2 n HIS 76 Cb 0.68 -4.65 -0.00 0.00 1.12 0.00 0.00 29.99 27.13 2kq2 n HIS 76 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2kq2 n ASP 77 N -3.04 -4.78 -4.28 0.41 -0.08 -0.54 -5.05 116.55 99.19 2kq2 n ASP 77 Ca -0.18 0.68 -0.15 0.00 -1.51 0.00 0.00 54.79 53.62 2kq2 n ASP 77 Cb 0.63 -3.04 -0.10 0.00 2.34 0.00 0.00 41.12 40.95 2kq2 n ASP 77 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 2kq2 s TYR 78 N -0.76 1.37 -0.79 -0.67 5.04 -1.25 -5.03 117.35 115.27 2kq2 s TYR 78 Ca -0.00 -0.81 0.17 0.00 -2.44 0.00 0.00 57.07 53.99 2kq2 s TYR 78 Cb 0.00 -0.73 0.74 0.00 0.35 0.00 0.00 41.96 42.31 2kq2 s TYR 78 CO 0.37 0.04 1.54 0.00 -1.34 0.00 0.00 175.55 176.16 2kq2 n ALA 79 N -0.27 1.61 0.25 3.97 0.00 -1.26 -3.61 120.51 121.19 2kq2 n ALA 79 Ca -0.08 0.01 0.16 0.00 0.00 0.00 0.00 53.44 53.53 2kq2 n ALA 79 Cb 0.62 -1.28 0.73 0.00 0.00 0.00 0.00 19.45 19.52 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 2.20 0.00 1.71 0.00 0.00 -1.97 -1.09 103.07 103.92 2kq2 h GLY 80 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 2kq2 h GLY 80 CO 0.00 0.00 0.12 0.16 0.00 0.00 0.00 176.54 176.82 2kq2 h ILE 81 N 0.00 0.47 0.00 2.60 -0.00 -1.99 -0.26 117.51 118.33 2kq2 h ILE 81 Ca 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 64.86 64.83 2kq2 h ILE 81 Cb 0.95 0.90 -0.01 0.00 -0.00 0.00 0.00 36.82 38.66 2kq2 h ILE 81 CO -0.00 0.00 -0.49 0.00 -0.00 0.00 0.00 178.15 177.66 2kq2 h ALA 82 N 1.86 0.77 0.10 0.16 0.00 -1.52 -2.51 119.26 118.12 2kq2 h ALA 82 Ca 0.05 -0.45 -0.23 0.00 0.00 0.00 0.00 54.91 54.28 2kq2 h ALA 82 Cb 0.28 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.01 2kq2 h ALA 82 CO -0.00 0.61 -0.95 0.74 0.00 0.00 0.00 179.25 179.65 2kq2 h PHE 83 N 0.00 0.77 0.00 0.00 0.04 -1.22 -0.47 116.94 116.06 2kq2 h PHE 83 Ca -0.00 -0.49 -0.06 0.00 2.80 0.00 0.00 57.97 60.21 2kq2 h PHE 83 Cb 1.23 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.31 2kq2 h PHE 83 CO 0.00 1.34 -0.31 -1.49 -0.60 0.00 0.00 178.31 177.25 2kq2 h TRP 84 N -0.01 0.00 0.27 -0.55 6.55 -1.60 -2.31 115.95 118.30 2kq2 h TRP 84 Ca -0.15 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.68 2kq2 h TRP 84 Cb 1.68 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.98 2kq2 h TRP 84 CO 0.15 0.31 -0.13 0.00 -1.05 0.00 0.00 178.44 177.71 2kq2 h ALA 85 N 1.69 -0.37 0.00 1.49 0.00 -1.43 -3.46 119.26 117.19 2kq2 h ALA 85 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kq2 h ALA 85 Cb 0.94 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2kq2 h ALA 85 CO 0.04 -0.46 -0.09 -2.37 0.00 0.00 0.00 179.25 176.37 2kq2 n THR 86 N -5.06 0.00 0.00 0.00 5.66 -0.70 -4.79 114.28 109.40 2kq2 n THR 86 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 2kq2 n THR 86 Cb 0.26 -0.50 0.00 0.00 -1.55 0.00 0.00 70.33 68.54 2kq2 n THR 86 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kq2 n GLY 87 N 1.64 1.91 0.39 1.09 0.00 -0.27 -4.63 105.19 105.33 2kq2 n GLY 87 Ca 0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 2kq2 n GLY 87 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kq2 h GLU 88 N 0.00 -0.93 -3.49 1.61 5.08 -1.87 -3.46 114.58 111.52 2kq2 h GLU 88 Ca 0.00 0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2kq2 h GLU 88 Cb 0.00 0.21 -0.13 0.00 0.50 0.00 0.00 28.75 29.33 2kq2 h GLU 88 CO 0.00 -0.61 -0.16 -0.46 -1.00 0.00 0.00 179.01 176.78 2kq2 s TRP 89 N -4.75 -0.11 1.01 4.33 -0.11 -1.26 -5.16 118.94 112.90 2kq2 s TRP 89 Ca -0.14 -0.23 -0.11 0.00 1.22 0.00 0.00 56.10 56.83 2kq2 s TRP 89 Cb 0.01 0.16 0.20 0.00 -1.50 0.00 0.00 33.47 32.35 2kq2 s TRP 89 CO 0.44 -0.65 1.09 0.15 -4.62 0.00 0.00 176.95 173.36 2kq2 s LYS 90 N -3.74 0.27 -0.26 5.86 3.01 -1.26 -4.84 119.74 118.78 2kq2 s LYS 90 Ca 0.03 1.18 -0.29 0.00 -1.01 0.00 0.00 55.97 55.88 2kq2 s LYS 90 Cb 0.03 -1.67 -0.02 0.00 -1.01 0.00 0.00 37.83 35.16 2kq2 s LYS 90 CO -0.11 -3.02 1.60 0.00 0.51 0.00 0.00 175.35 174.33 2kq2 s ALA 91 N -2.61 3.19 -1.41 5.17 0.00 -1.26 -4.88 121.76 119.97 2kq2 s ALA 91 Ca 0.67 0.35 -0.13 0.00 0.00 0.00 0.00 51.96 52.85 2kq2 s ALA 91 Cb -0.23 -3.88 -0.02 0.00 0.00 0.00 0.00 23.12 18.99 2kq2 s ALA 91 CO 0.61 -2.08 2.37 1.17 0.00 0.00 0.00 175.76 177.82 2kq2 n LYS 92 N 7.80 2.89 0.00 0.00 4.81 -1.26 -4.64 118.16 127.76 2kq2 n LYS 92 Ca 0.19 -2.38 0.00 0.00 -0.87 0.00 0.00 58.31 55.25 2kq2 n LYS 92 Cb 0.46 -3.10 0.00 0.00 0.02 0.00 0.00 35.03 32.41 2kq2 n LYS 92 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2kq2 n ASN 93 N 5.55 0.00 -2.82 3.14 3.02 -1.26 -4.91 115.26 117.97 2kq2 n ASN 93 Ca 0.58 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 55.01 2kq2 n ASN 93 Cb 0.34 -0.14 0.09 0.00 -0.61 0.00 0.00 39.78 39.46 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 -0.84 -0.84 -0.06 3.52 2.13 -1.26 -4.82 120.64 118.47 2kq2 n GLU 94 Ca 0.00 -0.82 0.24 0.00 0.66 0.00 0.00 57.16 57.24 2kq2 n GLU 94 Cb 0.00 -0.59 0.71 0.00 0.27 0.00 0.00 31.44 31.83 2kq2 n GLU 94 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 2kq2 h PHE 95 N -1.47 0.00 -1.10 4.31 3.57 -1.99 -0.10 116.94 120.15 2kq2 h PHE 95 Ca -0.18 0.00 0.31 0.00 3.53 0.00 0.00 57.97 61.63 2kq2 h PHE 95 Cb 0.50 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 2kq2 h PHE 95 CO 0.00 0.00 0.77 1.15 -2.23 0.00 0.00 178.31 178.00 2kq2 h THR 96 N 0.00 0.46 -0.07 4.41 2.02 -1.95 0.15 112.91 117.93 2kq2 h THR 96 Ca 0.31 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.47 2kq2 h THR 96 Cb 1.31 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 2kq2 h THR 96 CO -0.00 0.02 -0.07 -0.61 0.37 0.00 0.00 175.52 175.23 2kq2 h GLN 97 N 0.13 -0.08 0.00 6.66 -0.00 -1.30 0.69 115.11 121.21 2kq2 h GLN 97 Ca 0.56 0.01 -0.07 0.00 -0.00 0.00 0.00 58.65 59.14 2kq2 h GLN 97 Cb 1.95 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 29.44 2kq2 h GLN 97 CO -0.10 -0.06 -0.35 0.00 0.00 0.00 0.00 178.83 178.32 2kq2 h ALA 98 N 0.97 1.30 -0.04 3.38 0.00 -0.90 0.12 119.26 124.09 2kq2 h ALA 98 Ca 0.05 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.47 2kq2 h ALA 98 Cb 0.16 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.91 2kq2 h ALA 98 CO -0.13 0.44 -0.66 -0.92 0.00 0.00 0.00 179.25 177.98 2kq2 h TYR 99 N 0.00 0.74 0.00 0.00 3.20 -0.91 -3.34 116.97 116.66 2kq2 h TYR 99 Ca -0.00 -0.38 0.00 0.00 3.14 0.00 0.00 58.73 61.49 2kq2 h TYR 99 Cb 0.67 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.85 2kq2 h TYR 99 CO 0.00 1.19 -0.94 0.00 -1.64 0.00 0.00 178.16 176.76 2kq2 n ALA 100 N -2.59 3.16 -1.61 1.82 0.00 0.19 -4.48 120.51 117.01 2kq2 n ALA 100 Ca -0.10 -0.35 -0.27 0.00 0.00 0.00 0.00 53.44 52.73 2kq2 n ALA 100 Cb 0.69 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 2kq2 n ALA 100 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kq2 s LYS 101 N -3.22 1.93 -1.86 0.00 2.20 0.02 -2.57 119.74 116.24 2kq2 s LYS 101 Ca 0.04 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 56.57 2kq2 s LYS 101 Cb 0.14 -4.68 0.00 0.00 -1.51 0.00 0.00 37.83 31.78 2kq2 s LYS 101 CO 0.78 -3.74 0.00 1.28 -0.36 0.00 0.00 175.35 173.31 2kq2 n LEU 102 N 16.84 -1.68 -0.07 5.43 4.77 -1.26 -4.87 117.00 136.16 2kq2 n LEU 102 Ca 0.40 0.21 -0.03 0.00 -0.03 0.00 0.00 56.01 56.56 2kq2 n LEU 102 Cb 0.50 -2.76 0.19 0.00 -2.33 0.00 0.00 43.42 39.02 2kq2 n LEU 102 CO 0.64 -0.57 0.87 0.00 -1.33 0.00 0.00 177.39 176.99 2kq2 h MET 103 N 0.00 0.69 -0.10 3.23 -0.00 -1.72 -2.55 114.93 114.48 2kq2 h MET 103 Ca -0.44 -0.19 -0.13 0.00 -0.00 0.00 0.00 59.70 58.94 2kq2 h MET 103 Cb 1.31 -0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 32.82 2kq2 h MET 103 CO 0.57 0.73 -0.52 -0.97 -0.00 0.00 0.00 176.91 176.72 2kq2 h ASN 104 N 0.65 0.32 0.90 -0.10 -0.73 -1.82 -1.52 115.58 113.26 2kq2 h ASN 104 Ca 0.12 -0.16 0.00 0.00 1.87 0.00 0.00 56.30 58.13 2kq2 h ASN 104 Cb 0.46 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 38.96 2kq2 h ASN 104 CO 0.02 0.78 0.00 -0.61 -0.37 0.00 0.00 177.43 177.25 2kq2 h GLN 105 N 0.23 0.00 0.09 6.67 -0.00 -1.81 -3.06 115.11 117.24 2kq2 h GLN 105 Ca 0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 58.65 58.29 2kq2 h GLN 105 Cb 1.00 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.45 2kq2 h GLN 105 CO 0.08 0.00 -2.07 0.98 0.00 0.00 0.00 178.83 177.83 2kq2 n TYR 106 N -2.88 1.01 -2.36 3.99 9.36 -0.86 -4.89 117.16 120.53 2kq2 n TYR 106 Ca 0.01 0.22 -0.32 0.00 3.32 0.00 0.00 57.90 61.13 2kq2 n TYR 106 Cb 0.27 -1.14 -0.03 0.00 -0.63 0.00 0.00 39.34 37.82 2kq2 n TYR 106 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 2kq2 s ARG 107 N -2.55 3.88 -0.53 2.98 1.04 -0.63 -4.56 118.95 118.58 2kq2 s ARG 107 Ca -0.23 0.98 -0.24 0.00 -1.04 0.00 0.00 55.73 55.20 2kq2 s ARG 107 Cb 0.07 -2.12 0.03 0.00 -2.04 0.00 0.00 34.95 30.89 2kq2 s ARG 107 CO 0.75 -0.33 0.64 0.41 -0.04 0.00 0.00 175.30 176.73 2kq2 n GLY 108 N -1.52 -0.56 0.29 3.88 0.00 -1.26 -4.83 105.19 101.20 2kq2 n GLY 108 Ca 0.07 1.04 0.15 0.00 0.00 0.00 0.00 46.02 47.28 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 1.54 0.55 -3.03 -0.61 1.08 -1.80 -3.43 117.51 111.81 2kq2 h ILE 109 Ca -0.39 -0.05 -0.48 0.00 -0.39 0.00 0.00 64.86 63.54 2kq2 h ILE 109 Cb 1.28 1.03 0.01 0.00 -3.07 0.00 0.00 36.82 36.07 2kq2 h ILE 109 CO 0.25 0.01 -0.12 -0.72 -0.69 0.00 0.00 178.15 176.88 2kq2 s TYR 110 N -4.61 3.51 1.03 1.37 1.13 -1.26 -2.93 117.35 115.58 2kq2 s TYR 110 Ca -0.05 0.49 -0.16 0.00 -1.41 0.00 0.00 57.07 55.94 2kq2 s TYR 110 Cb 0.15 -2.01 0.21 0.00 -1.10 0.00 0.00 41.96 39.21 2kq2 s TYR 110 CO 0.55 0.04 1.18 0.45 -2.51 0.00 0.00 175.55 175.26 2kq2 s SER 111 N -3.93 2.46 0.42 -0.18 0.15 -1.26 -4.85 113.70 106.52 2kq2 s SER 111 Ca 0.42 0.66 0.06 0.00 0.70 0.00 0.00 55.95 57.79 2kq2 s SER 111 Cb -0.10 -0.97 0.01 0.00 -1.71 0.00 0.00 66.02 63.25 2kq2 s SER 111 CO 0.37 -3.17 0.58 -0.36 1.20 0.00 0.00 173.24 171.86 2kq2 s PHE 112 N -3.35 2.92 -0.47 3.44 0.40 -1.26 -5.04 117.98 114.62 2kq2 s PHE 112 Ca 0.69 -0.26 -0.19 0.00 -0.60 0.00 0.00 56.93 56.58 2kq2 s PHE 112 Cb -0.10 -2.34 0.04 0.00 0.51 0.00 0.00 43.02 41.13 2kq2 s PHE 112 CO 0.54 -0.39 0.57 -1.83 0.70 0.00 0.00 175.22 174.81 2kq2 s GLU 113 N -4.38 3.14 0.02 0.44 1.03 -1.26 -4.76 118.70 112.93 2kq2 s GLU 113 Ca 0.52 -0.77 -0.16 0.00 0.03 0.00 0.00 54.97 54.59 2kq2 s GLU 113 Cb -0.10 -4.03 0.03 0.00 -0.80 0.00 0.00 34.13 29.22 2kq2 s GLU 113 CO 0.34 -1.07 0.35 0.15 -1.33 0.00 0.00 175.26 173.70 2kq2 s LYS 114 N 2.49 0.80 0.05 -4.83 3.01 -0.77 -4.36 119.74 116.13 2kq2 s LYS 114 Ca 0.15 -0.32 -0.02 0.00 -1.01 0.00 0.00 55.97 54.78 2kq2 s LYS 114 Cb -0.18 0.35 -0.04 0.00 -1.01 0.00 0.00 37.83 36.95 2kq2 s LYS 114 CO 0.14 -0.25 0.23 0.54 0.51 0.00 0.00 175.35 176.52 2kq2 s VAL 115 N -2.02 5.36 0.30 3.17 0.11 -1.05 -4.04 120.40 122.24 2kq2 s VAL 115 Ca -0.08 -0.23 -0.18 0.00 -2.93 0.00 0.00 61.98 58.55 2kq2 s VAL 115 Cb -0.02 -3.60 0.02 0.00 -1.53 0.00 0.00 36.38 31.25 2kq2 s VAL 115 CO 0.00 0.18 0.69 -1.59 -3.33 0.00 0.00 175.10 171.06 2kq2 s LYS 116 N -2.34 1.87 0.14 1.54 -2.85 -1.24 -1.55 119.74 115.31 2kq2 s LYS 116 Ca 0.34 -1.17 0.00 0.00 -1.00 0.00 0.00 55.97 54.14 2kq2 s LYS 116 Cb -0.13 0.59 0.00 0.00 -2.06 0.00 0.00 37.83 36.23 2kq2 s LYS 116 CO 0.25 -0.85 0.00 0.00 0.10 0.00 0.00 175.35 174.84 2kq2 n ALA 117 N -0.47 -0.84 -0.32 0.59 0.00 -1.26 -4.83 120.51 113.37 2kq2 n ALA 117 Ca -0.05 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2kq2 n ALA 117 Cb 0.60 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 -2.29 0.00 0.00 0.00 1.44 -1.26 -4.83 115.22 108.28 2kq2 n HIS 118 Ca -0.02 -0.04 0.00 0.00 -2.01 0.00 0.00 57.72 55.66 2kq2 n HIS 118 Cb 0.14 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.25 2kq2 n HIS 118 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2kq2 n SER 119 N -0.04 0.00 -0.91 4.39 2.88 -1.26 -5.09 113.62 113.60 2kq2 n SER 119 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 2kq2 n SER 119 Cb 0.11 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.51 2kq2 n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kq2 n GLY 120 N 0.01 -2.85 3.82 0.46 0.00 -1.26 -4.43 105.19 100.93 2kq2 n GLY 120 Ca 0.00 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 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 -6.18 2.69 0.15 1.61 3.84 -1.26 -4.64 114.94 111.14 2kq2 s ASN 121 Ca 0.00 0.51 -0.24 0.00 0.21 0.00 0.00 52.86 53.34 2kq2 s ASN 121 Cb 0.00 -0.72 0.01 0.00 -0.55 0.00 0.00 41.25 39.99 2kq2 s ASN 121 CO 0.00 -3.02 1.62 -0.08 -2.79 0.00 0.00 177.10 172.83 2kq2 h GLU 122 N -1.83 -0.30 0.00 0.43 4.81 -2.00 0.50 114.58 116.19 2kq2 h GLU 122 Ca -0.46 0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 58.68 2kq2 h GLU 122 Cb 1.27 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.70 2kq2 h GLU 122 CO 0.43 -0.20 -0.54 0.74 -0.73 0.00 0.00 179.01 178.70 2kq2 h PHE 123 N -0.31 0.00 0.00 0.92 0.04 -1.99 -3.02 116.94 112.58 2kq2 h PHE 123 Ca 0.12 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.79 2kq2 h PHE 123 Cb 0.51 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 2kq2 h PHE 123 CO -0.42 0.54 -0.48 -0.97 -0.60 0.00 0.00 178.31 176.38 2kq2 h ASN 124 N 0.00 0.00 -0.62 2.17 -1.24 -1.58 -2.78 115.58 111.52 2kq2 h ASN 124 Ca -0.01 0.00 0.18 0.00 0.71 0.00 0.00 56.30 57.19 2kq2 h ASN 124 Cb 1.24 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.27 2kq2 h ASN 124 CO 0.07 0.48 0.48 -0.78 -1.29 0.00 0.00 177.43 176.39 2kq2 h ASP 125 N 0.00 0.00 0.14 1.15 3.58 0.09 0.35 116.42 121.73 2kq2 h ASP 125 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kq2 h ASP 125 Cb 0.97 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.01 2kq2 h ASP 125 CO 0.06 0.00 -0.13 1.88 -2.88 0.00 0.00 179.24 178.17 2kq2 h TYR 126 N 0.00 -0.34 0.04 0.28 0.05 -1.63 0.25 116.97 115.63 2kq2 h TYR 126 Ca 0.30 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.83 2kq2 h TYR 126 Cb 1.25 0.13 0.01 0.00 1.01 0.00 0.00 36.73 39.13 2kq2 h TYR 126 CO 0.00 -0.20 -1.05 0.28 -1.05 0.00 0.00 178.16 176.14 2kq2 h VAL 127 N -0.29 1.39 0.24 -2.88 2.07 -1.31 -2.82 116.25 112.65 2kq2 h VAL 127 Ca 0.00 -2.53 0.01 0.00 0.82 0.00 0.00 66.70 65.00 2kq2 h VAL 127 Cb 0.27 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.56 2kq2 h VAL 127 CO -0.03 0.76 -0.29 -0.78 0.02 0.00 0.00 177.57 177.24 2kq2 h ASP 128 N 0.23 -0.79 -0.85 0.57 3.58 -0.29 0.47 116.42 119.33 2kq2 h ASP 128 Ca -0.11 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 2kq2 h ASP 128 Cb 1.71 0.28 -0.04 0.00 1.72 0.00 0.00 39.33 43.00 2kq2 h ASP 128 CO 0.19 -0.40 0.51 -0.03 -2.88 0.00 0.00 179.24 176.62 2kq2 h MET 129 N -0.58 1.17 -0.28 0.28 4.05 -0.58 0.44 114.93 119.43 2kq2 h MET 129 Ca 0.00 -0.11 -0.11 0.00 -0.28 0.00 0.00 59.70 59.20 2kq2 h MET 129 Cb 0.55 -0.24 -0.00 0.00 -0.80 0.00 0.00 31.60 31.11 2kq2 h MET 129 CO -0.09 0.82 -0.27 0.87 0.23 0.00 0.00 176.91 178.47 2kq2 h LYS 130 N 1.18 0.68 -0.50 0.39 6.56 -1.22 -2.26 116.57 121.40 2kq2 h LYS 130 Ca 0.31 -0.36 -0.01 0.00 -1.06 0.00 0.00 60.65 59.54 2kq2 h LYS 130 Cb -0.04 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.61 2kq2 h LYS 130 CO -0.06 0.96 0.29 0.00 -2.06 0.00 0.00 179.45 178.59 2kq2 h ALA 131 N 0.70 0.64 -0.77 3.86 0.00 0.44 -0.46 119.26 123.66 2kq2 h ALA 131 Ca 0.05 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.94 2kq2 h ALA 131 Cb 0.84 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2kq2 h ALA 131 CO 0.07 0.14 0.46 0.87 0.00 0.00 0.00 179.25 180.78 2kq2 h LYS 132 N 0.66 0.81 -0.51 0.00 1.57 -0.90 0.35 116.57 118.57 2kq2 h LYS 132 Ca 0.18 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 2kq2 h LYS 132 Cb 0.02 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2kq2 h LYS 132 CO -0.03 0.54 0.04 0.77 -0.57 0.00 0.00 179.45 180.20 2kq2 h SER 133 N 0.84 0.85 -0.10 0.86 0.02 -0.78 0.19 113.55 115.42 2kq2 h SER 133 Ca 0.34 -0.29 -0.22 0.00 -0.84 0.00 0.00 61.79 60.78 2kq2 h SER 133 Cb 0.18 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.50 2kq2 h SER 133 CO -0.18 0.93 -0.78 0.00 -1.14 0.00 0.00 176.83 175.66 2kq2 h ALA 134 N 0.96 0.34 0.00 3.77 0.00 -0.60 -3.19 119.26 120.53 2kq2 h ALA 134 Ca 0.15 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2kq2 h ALA 134 Cb 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kq2 h ALA 134 CO 0.02 0.69 -0.09 -0.07 0.00 0.00 0.00 179.25 179.81 2kq2 h LEU 135 N 0.51 0.00 0.00 0.00 3.38 -0.26 -3.46 115.31 115.48 2kq2 h LEU 135 Ca -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2kq2 h LEU 135 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2kq2 h LEU 135 CO 0.16 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.30 2kq2 n GLY 136 N 1.20 0.77 3.61 0.83 0.00 0.13 -4.98 105.19 106.76 2kq2 n GLY 136 Ca 0.04 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 3.03 0.61 -0.61 -1.09 0.42 -4.97 121.20 116.59 2kq2 s ILE 137 Ca 0.00 0.03 -0.03 0.00 -2.23 0.00 0.00 60.65 58.43 2kq2 s ILE 137 Cb 0.00 -3.04 0.04 0.00 -1.58 0.00 0.00 42.46 37.88 2kq2 s ILE 137 CO 0.00 -0.02 0.87 0.00 -1.23 0.00 0.00 174.94 174.56 2kq2 s ARG 138 N 5.88 2.49 0.19 2.79 3.03 -1.26 -4.84 118.95 127.22 2kq2 s ARG 138 Ca 0.97 -0.48 -0.33 0.00 2.03 0.00 0.00 55.73 57.92 2kq2 s ARG 138 Cb -0.35 -2.35 -0.14 0.00 -1.03 0.00 0.00 34.95 31.09 2kq2 s ARG 138 CO 0.36 -0.88 1.53 -0.25 -1.13 0.00 0.00 175.30 174.94 2kq2 n ASP 139 N -2.57 3.06 0.22 -2.89 8.00 -1.26 -4.87 116.55 116.24 2kq2 n ASP 139 Ca 0.07 1.10 0.09 0.00 0.71 0.00 0.00 54.79 56.77 2kq2 n ASP 139 Cb 0.60 -1.44 0.43 0.00 -0.02 0.00 0.00 41.12 40.68 2kq2 n ASP 139 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2kq2 h LEU 140 N 5.37 0.00 -2.92 0.64 3.38 -2.02 -2.53 115.31 117.23 2kq2 h LEU 140 Ca -0.45 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 2kq2 h LEU 140 Cb 1.26 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.95 2kq2 h LEU 140 CO 0.85 0.25 0.12 -0.62 0.09 0.00 0.00 178.44 179.13 2kq2 n GLU 141 N -3.40 3.17 -1.67 1.13 1.02 -1.26 -4.96 120.64 114.68 2kq2 n GLU 141 Ca 0.00 -2.13 -0.47 0.00 -0.02 0.00 0.00 57.16 54.55 2kq2 n GLU 141 Cb 0.45 -1.97 -0.04 0.00 -0.02 0.00 0.00 31.44 29.86 2kq2 n GLU 141 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2kq2 n HIS 142 N 0.14 2.23 -1.61 -0.32 1.44 -0.96 -4.78 115.22 111.36 2kq2 n HIS 142 Ca 0.25 0.26 -0.53 0.00 -2.01 0.00 0.00 57.72 55.69 2kq2 n HIS 142 Cb 1.01 -2.54 -0.06 0.00 0.12 0.00 0.00 29.99 28.52 2kq2 n HIS 142 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2kq2 n HIS 143 N 3.75 1.59 -4.40 -1.40 1.44 -1.26 -4.97 115.22 109.97 2kq2 n HIS 143 Ca 0.18 0.63 -0.34 0.00 -2.01 0.00 0.00 57.72 56.18 2kq2 n HIS 143 Cb 0.28 -2.35 -0.13 0.00 0.12 0.00 0.00 29.99 27.92 2kq2 n HIS 143 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kq2 s HIS 144 N 1.00 2.99 -0.52 -1.40 5.04 -1.26 -5.05 115.29 116.08 2kq2 s HIS 144 Ca 0.87 -0.40 -0.27 0.00 -1.54 0.00 0.00 55.06 53.72 2kq2 s HIS 144 Cb -0.98 -1.96 -0.03 0.00 0.04 0.00 0.00 32.58 29.66 2kq2 s HIS 144 CO 0.50 -0.11 1.90 -1.58 -2.34 0.00 0.00 174.74 173.12 2kq2 s HIS 145 N 0.48 1.64 -0.24 3.88 2.46 -1.26 -4.93 115.29 117.31 2kq2 s HIS 145 Ca -0.04 0.83 -0.19 0.00 0.47 0.00 0.00 55.06 56.13 2kq2 s HIS 145 Cb -0.14 -4.04 -0.03 0.00 -0.13 0.00 0.00 32.58 28.24 2kq2 s HIS 145 CO 0.03 -2.50 0.56 -1.58 -2.47 0.00 0.00 174.74 168.78 2kq2 s HIS 146 N 8.84 3.30 0.00 3.88 5.04 -1.26 -5.35 115.29 129.74 2kq2 s HIS 146 Ca 0.74 0.75 0.00 0.00 -1.54 0.00 0.00 55.06 55.01 2kq2 s HIS 146 Cb -0.16 -2.76 0.00 0.00 0.04 0.00 0.00 32.58 29.70 2kq2 s HIS 146 CO 0.25 -0.26 0.00 1.58 -2.34 0.00 0.00 174.74 173.97