#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kq2 n ASP 2 N 0.00 0.00 -3.63 7.83 9.92 -1.26 -5.16 116.55 124.26 2kq2 n ASP 2 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 2kq2 n ASP 2 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 2kq2 n ASP 2 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2kq2 s ASP 3 N 1.00 -0.64 -0.01 -2.24 -1.08 -1.26 -5.04 116.67 107.40 2kq2 s ASP 3 Ca 0.00 1.01 0.02 0.00 -0.52 0.00 0.00 52.55 53.06 2kq2 s ASP 3 Cb 0.00 1.32 0.02 0.00 -1.46 0.00 0.00 42.92 42.80 2kq2 s ASP 3 CO 0.00 -0.16 0.98 -2.11 0.52 0.00 0.00 175.17 174.40 2kq2 n ARG 4 N 4.00 2.62 -3.22 4.34 1.85 -1.26 -5.05 116.66 119.95 2kq2 n ARG 4 Ca -0.18 -1.52 -0.39 0.00 -1.00 0.00 0.00 57.85 54.76 2kq2 n ARG 4 Cb 0.57 -1.00 -0.06 0.00 -1.05 0.00 0.00 32.46 30.92 2kq2 n ARG 4 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2kq2 s THR 5 N -1.08 5.12 0.04 8.89 2.01 -1.26 -5.03 115.64 124.32 2kq2 s THR 5 Ca 0.03 1.08 -0.31 0.00 0.31 0.00 0.00 61.69 62.80 2kq2 s THR 5 Cb 0.02 -3.88 -0.06 0.00 0.01 0.00 0.00 72.50 68.59 2kq2 s THR 5 CO 0.00 0.24 1.36 -1.83 -0.69 0.00 0.00 174.62 173.70 2kq2 s GLU 6 N 1.11 4.32 -0.06 4.92 -1.05 -1.26 -4.98 118.70 121.71 2kq2 s GLU 6 Ca 0.28 1.95 -0.18 0.00 -0.15 0.00 0.00 54.97 56.87 2kq2 s GLU 6 Cb -0.16 -3.44 -0.05 0.00 -0.44 0.00 0.00 34.13 30.04 2kq2 s GLU 6 CO 0.11 -0.48 0.50 0.71 0.95 0.00 0.00 175.26 177.05 2kq2 s TYR 7 N 1.80 3.61 -0.97 4.83 2.02 -1.26 -4.91 117.35 122.46 2kq2 s TYR 7 Ca 0.63 1.00 -0.20 0.00 -0.37 0.00 0.00 57.07 58.13 2kq2 s TYR 7 Cb -0.32 -2.51 0.10 0.00 -0.40 0.00 0.00 41.96 38.82 2kq2 s TYR 7 CO 0.28 0.32 1.25 -0.51 -1.57 0.00 0.00 175.55 175.32 2kq2 s ASP 8 N 0.02 6.58 -0.07 2.29 1.01 -1.26 -2.31 116.67 122.92 2kq2 s ASP 8 Ca 0.27 -1.82 -0.16 0.00 0.71 0.00 0.00 52.55 51.55 2kq2 s ASP 8 Cb -0.16 -2.46 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 2kq2 s ASP 8 CO 0.13 -1.23 0.42 -0.69 0.21 0.00 0.00 175.17 174.01 2kq2 s VAL 9 N 3.56 5.13 -0.03 -1.27 1.01 -0.94 -4.62 120.40 123.23 2kq2 s VAL 9 Ca 0.38 0.85 0.02 0.00 0.00 0.00 0.00 61.98 63.24 2kq2 s VAL 9 Cb -0.03 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2kq2 s VAL 9 CO -0.10 0.44 -0.08 -0.72 0.00 0.00 0.00 175.10 174.64 2kq2 s TYR 10 N -0.11 2.87 0.05 5.22 1.13 -1.24 -1.36 117.35 123.92 2kq2 s TYR 10 Ca 0.24 -0.03 0.00 0.00 -1.41 0.00 0.00 57.07 55.87 2kq2 s TYR 10 Cb -0.15 -1.65 -0.00 0.00 -1.10 0.00 0.00 41.96 39.05 2kq2 s TYR 10 CO 0.11 0.33 0.06 2.41 -2.51 0.00 0.00 175.55 175.94 2kq2 n THR 11 N 1.93 0.00 -2.63 -3.49 -1.04 -1.26 -2.87 114.28 104.92 2kq2 n THR 11 Ca -0.17 -0.31 -0.32 0.00 -2.04 0.00 0.00 64.05 61.21 2kq2 n THR 11 Cb 0.53 0.17 -0.04 0.00 -1.82 0.00 0.00 70.33 69.16 2kq2 n THR 11 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2kq2 s ASP 12 N -1.33 6.69 0.31 8.00 2.15 -1.26 -4.95 116.67 126.29 2kq2 s ASP 12 Ca 0.05 1.50 0.06 0.00 0.43 0.00 0.00 52.55 54.60 2kq2 s ASP 12 Cb 0.00 -2.47 0.51 0.00 -0.30 0.00 0.00 42.92 40.66 2kq2 s ASP 12 CO 0.04 -0.47 1.75 1.23 -0.17 0.00 0.00 175.17 177.54 2kq2 h GLY 13 N 1.31 0.30 -2.31 2.66 0.00 -1.89 -3.47 103.07 99.67 2kq2 h GLY 13 Ca -0.47 -0.26 -0.24 0.00 0.00 0.00 0.00 47.33 46.36 2kq2 h GLY 13 CO 0.62 0.23 -0.44 -1.35 0.00 0.00 0.00 176.54 175.60 2kq2 s SER 14 N -6.87 0.44 0.10 0.19 1.04 -1.26 -1.07 113.70 106.27 2kq2 s SER 14 Ca -0.05 -1.36 -0.30 0.00 0.48 0.00 0.00 55.95 54.71 2kq2 s SER 14 Cb 0.14 0.49 -0.06 0.00 0.10 0.00 0.00 66.02 66.68 2kq2 s SER 14 CO 0.77 -1.00 1.19 -0.31 0.98 0.00 0.00 173.24 174.87 2kq2 s TYR 15 N -3.88 3.45 -0.18 5.02 2.02 -1.26 -5.01 117.35 117.50 2kq2 s TYR 15 Ca 0.35 1.35 -0.10 0.00 -0.37 0.00 0.00 57.07 58.29 2kq2 s TYR 15 Cb 0.04 -3.41 -0.05 0.00 -0.40 0.00 0.00 41.96 38.13 2kq2 s TYR 15 CO 0.15 -1.22 0.16 0.54 -1.57 0.00 0.00 175.55 173.61 2kq2 s VAL 16 N 0.66 5.40 -1.74 0.71 0.11 -1.01 -4.10 120.40 120.44 2kq2 s VAL 16 Ca 0.56 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.88 2kq2 s VAL 16 Cb -0.30 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 2kq2 s VAL 16 CO 0.32 0.45 0.00 0.59 -3.33 0.00 0.00 175.10 173.12 2kq2 n ASN 17 N 3.38 -5.32 0.00 3.54 3.02 -1.26 -1.15 115.26 117.47 2kq2 n ASN 17 Ca -0.16 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 2kq2 n ASN 17 Cb 0.52 -4.53 0.00 0.00 -0.61 0.00 0.00 39.78 35.17 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 -0.78 0.84 3.81 7.41 0.00 -1.26 -5.02 105.19 110.19 2kq2 n GLY 18 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.04 3.20 0.05 1.61 -1.52 -0.30 -5.08 119.66 117.58 2kq2 s GLN 19 Ca 0.00 -0.36 0.06 0.00 -1.95 0.00 0.00 55.36 53.11 2kq2 s GLN 19 Cb 0.00 -2.96 -0.02 0.00 -0.22 0.00 0.00 33.01 29.80 2kq2 s GLN 19 CO 0.00 0.69 -0.16 1.52 -0.25 0.00 0.00 175.29 177.09 2kq2 s TYR 20 N -1.12 1.42 0.20 0.91 -0.85 -1.26 -2.39 117.35 114.26 2kq2 s TYR 20 Ca 0.20 -0.38 -0.14 0.00 -0.52 0.00 0.00 57.07 56.23 2kq2 s TYR 20 Cb -0.12 -0.83 0.01 0.00 0.38 0.00 0.00 41.96 41.40 2kq2 s TYR 20 CO 0.10 0.07 0.45 0.00 -1.52 0.00 0.00 175.55 174.65 2kq2 s ALA 21 N -0.91 -0.53 -0.18 9.51 0.00 -1.26 -4.64 121.76 123.75 2kq2 s ALA 21 Ca 0.03 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 2kq2 s ALA 21 Cb -0.08 0.90 -0.05 0.00 0.00 0.00 0.00 23.12 23.89 2kq2 s ALA 21 CO 0.02 -0.78 0.19 1.67 0.00 0.00 0.00 175.76 176.86 2kq2 s TRP 22 N -3.93 3.44 -0.19 0.00 1.48 -0.55 -4.97 118.94 114.22 2kq2 s TRP 22 Ca 0.14 0.44 -0.28 0.00 -1.06 0.00 0.00 56.10 55.34 2kq2 s TRP 22 Cb 0.00 -2.21 0.10 0.00 -1.16 0.00 0.00 33.47 30.21 2kq2 s TRP 22 CO 0.01 0.30 0.90 0.00 -4.06 0.00 0.00 176.95 174.10 2kq2 s ALA 23 N 0.29 -1.89 -0.28 2.67 0.00 -1.26 -1.88 121.76 119.42 2kq2 s ALA 23 Ca 0.11 1.69 -0.25 0.00 0.00 0.00 0.00 51.96 53.51 2kq2 s ALA 23 Cb -0.12 -0.85 0.12 0.00 0.00 0.00 0.00 23.12 22.27 2kq2 s ALA 23 CO 0.00 -0.30 1.00 1.52 0.00 0.00 0.00 175.76 177.98 2kq2 s TYR 24 N -0.49 -0.50 -0.27 0.00 1.13 -1.25 -4.84 117.35 111.12 2kq2 s TYR 24 Ca -0.02 1.22 -0.06 0.00 -1.41 0.00 0.00 57.07 56.79 2kq2 s TYR 24 Cb -0.02 0.36 -0.00 0.00 -1.10 0.00 0.00 41.96 41.19 2kq2 s TYR 24 CO 0.01 -0.25 0.06 0.00 -2.51 0.00 0.00 175.55 172.86 2kq2 s ALA 25 N 0.21 3.04 -0.51 9.51 0.00 -1.14 -4.45 121.76 128.43 2kq2 s ALA 25 Ca 0.03 -1.34 -0.26 0.00 0.00 0.00 0.00 51.96 50.39 2kq2 s ALA 25 Cb -0.05 -2.06 0.03 0.00 0.00 0.00 0.00 23.12 21.04 2kq2 s ALA 25 CO -0.05 -0.76 0.98 -0.59 0.00 0.00 0.00 175.76 175.34 2kq2 s PHE 26 N 1.52 2.82 -0.13 0.00 -0.71 -1.22 -3.60 117.98 116.66 2kq2 s PHE 26 Ca 0.04 0.25 -0.17 0.00 -1.04 0.00 0.00 56.93 56.01 2kq2 s PHE 26 Cb -0.16 -4.11 -0.04 0.00 -1.21 0.00 0.00 43.02 37.49 2kq2 s PHE 26 CO 0.02 -1.27 0.44 0.54 -1.34 0.00 0.00 175.22 173.61 2kq2 s VAL 27 N 4.03 5.21 -0.05 -2.49 0.11 -1.26 -3.15 120.40 122.80 2kq2 s VAL 27 Ca 0.36 0.88 0.01 0.00 -2.93 0.00 0.00 61.98 60.29 2kq2 s VAL 27 Cb -0.10 -3.78 0.02 0.00 -1.53 0.00 0.00 36.38 30.99 2kq2 s VAL 27 CO 0.24 0.33 -0.03 -0.54 -3.33 0.00 0.00 175.10 171.77 2kq2 s LYS 28 N 0.62 0.78 -1.62 1.54 1.02 0.10 -4.60 119.74 117.58 2kq2 s LYS 28 Ca 0.24 -0.06 0.00 0.00 0.02 0.00 0.00 55.97 56.17 2kq2 s LYS 28 Cb -0.15 -0.87 0.00 0.00 -0.52 0.00 0.00 37.83 36.30 2kq2 s LYS 28 CO 0.09 -0.13 0.00 -3.47 -0.92 0.00 0.00 175.35 170.92 2kq2 n ASP 29 N 4.28 -5.00 0.00 2.83 2.03 -1.26 -2.16 116.55 117.27 2kq2 n ASP 29 Ca -0.21 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2kq2 n ASP 29 Cb 0.51 -4.04 0.00 0.00 -0.72 0.00 0.00 41.12 36.87 2kq2 n ASP 29 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kq2 n GLY 30 N -0.96 2.15 3.66 0.27 0.00 -1.26 -5.04 105.19 104.01 2kq2 n GLY 30 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 2kq2 n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kq2 s LYS 31 N -0.88 2.31 -0.19 1.61 -2.85 -0.92 -5.10 119.74 113.72 2kq2 s LYS 31 Ca 0.00 -1.45 -0.06 0.00 -1.00 0.00 0.00 55.97 53.46 2kq2 s LYS 31 Cb 0.00 -2.16 -0.03 0.00 -2.06 0.00 0.00 37.83 33.58 2kq2 s LYS 31 CO 0.00 0.31 0.03 0.08 0.10 0.00 0.00 175.35 175.87 2kq2 s VAL 32 N -2.35 4.27 -0.12 1.79 1.01 -1.26 0.02 120.40 123.76 2kq2 s VAL 32 Ca 0.33 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 2kq2 s VAL 32 Cb -0.05 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 2kq2 s VAL 32 CO 0.20 0.43 -0.01 0.45 0.00 0.00 0.00 175.10 176.18 2kq2 h HIS 33 N 7.22 0.00 -3.88 5.22 3.86 -1.90 -3.49 115.15 122.18 2kq2 h HIS 33 Ca -0.35 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.65 2kq2 h HIS 33 Cb 1.18 0.00 -0.24 0.00 1.06 0.00 0.00 27.41 29.41 2kq2 h HIS 33 CO 0.59 0.12 -0.71 0.71 0.86 0.00 0.00 177.93 179.49 2kq2 s TYR 34 N -1.86 0.19 -0.01 2.45 2.02 -1.26 -5.09 117.35 113.78 2kq2 s TYR 34 Ca -0.07 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 2kq2 s TYR 34 Cb 0.01 -0.13 0.02 0.00 -0.40 0.00 0.00 41.96 41.46 2kq2 s TYR 34 CO 0.14 -0.11 0.02 -1.83 -1.57 0.00 0.00 175.55 172.20 2kq2 s GLU 35 N -0.87 -0.00 0.25 -0.62 4.04 -1.26 -3.43 118.70 116.80 2kq2 s GLU 35 Ca -0.09 0.13 -0.22 0.00 0.04 0.00 0.00 54.97 54.83 2kq2 s GLU 35 Cb -0.06 -0.19 0.04 0.00 0.02 0.00 0.00 34.13 33.94 2kq2 s GLU 35 CO -0.01 -0.12 0.82 0.34 -1.84 0.00 0.00 175.26 174.45 2kq2 s ASP 36 N 0.76 -0.19 0.01 0.83 2.15 -1.26 -4.90 116.67 114.07 2kq2 s ASP 36 Ca -0.06 -0.61 -0.13 0.00 0.43 0.00 0.00 52.55 52.18 2kq2 s ASP 36 Cb -0.09 0.66 0.02 0.00 -0.30 0.00 0.00 42.92 43.20 2kq2 s ASP 36 CO -0.02 -1.23 0.28 0.00 -0.17 0.00 0.00 175.17 174.03 2kq2 s ALA 37 N -3.47 -0.66 0.06 3.66 0.00 -1.26 -3.83 121.76 116.26 2kq2 s ALA 37 Ca 0.12 0.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.08 2kq2 s ALA 37 Cb -0.04 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.27 2kq2 s ALA 37 CO 0.06 -0.32 0.21 0.34 0.00 0.00 0.00 175.76 176.04 2kq2 s ASP 38 N -1.70 0.05 -0.16 0.00 2.15 -0.79 -4.93 116.67 111.30 2kq2 s ASP 38 Ca -0.09 -0.47 -0.05 0.00 0.43 0.00 0.00 52.55 52.36 2kq2 s ASP 38 Cb -0.03 0.32 -0.03 0.00 -0.30 0.00 0.00 42.92 42.88 2kq2 s ASP 38 CO 0.00 -0.64 0.00 0.68 -0.17 0.00 0.00 175.17 175.04 2kq2 s VAL 39 N -3.16 4.26 0.00 1.11 -7.23 -1.26 -1.49 120.40 112.63 2kq2 s VAL 39 Ca -0.01 -0.23 0.00 0.00 -1.81 0.00 0.00 61.98 59.94 2kq2 s VAL 39 Cb 0.02 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 34.07 2kq2 s VAL 39 CO -0.07 0.49 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 2kq2 n GLY 40 N 3.47 -1.79 2.66 2.32 0.00 -1.26 -4.91 105.19 105.69 2kq2 n GLY 40 Ca -0.17 -1.75 -0.23 0.00 0.00 0.00 0.00 46.02 43.87 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 0.00 0.06 0.01 1.61 1.02 -1.26 -4.68 119.74 116.49 2kq2 s LYS 41 Ca 0.00 0.10 0.04 0.00 0.02 0.00 0.00 55.97 56.13 2kq2 s LYS 41 Cb 0.00 -1.38 -0.01 0.00 -0.52 0.00 0.00 37.83 35.92 2kq2 s LYS 41 CO 0.00 -0.58 -0.13 -0.80 -0.92 0.00 0.00 175.35 172.92 2kq2 s ASN 42 N 2.19 1.56 -0.08 2.83 0.01 -1.26 -5.07 114.94 115.11 2kq2 s ASN 42 Ca 0.03 -0.31 -0.17 0.00 -0.71 0.00 0.00 52.86 51.70 2kq2 s ASN 42 Cb -0.15 -0.15 -0.13 0.00 0.41 0.00 0.00 41.25 41.24 2kq2 s ASN 42 CO -0.08 0.11 0.62 -0.65 -1.51 0.00 0.00 177.10 175.59 2kq2 h PRO 43 N 5.50 -0.16 0.00 -0.60 0.11 -2.00 -3.20 132.00 131.66 2kq2 h PRO 43 Ca -0.35 0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.68 2kq2 h PRO 43 Cb 1.17 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2kq2 h PRO 43 CO 0.47 0.25 -0.41 0.00 -0.21 0.00 0.00 178.00 178.10 2kq2 h ALA 44 N -0.50 0.77 -0.23 -0.75 0.00 -2.06 -3.10 119.26 113.39 2kq2 h ALA 44 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2kq2 h ALA 44 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2kq2 h ALA 44 CO 0.03 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.79 2kq2 n ALA 45 N -2.22 2.48 -0.13 0.00 0.00 -1.26 -4.31 120.51 115.07 2kq2 n ALA 45 Ca 0.02 -0.44 0.28 0.00 0.00 0.00 0.00 53.44 53.30 2kq2 n ALA 45 Cb 0.66 -1.01 0.69 0.00 0.00 0.00 0.00 19.45 19.78 2kq2 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kq2 h ALA 46 N 3.55 2.67 0.00 0.00 0.00 -1.53 -0.94 119.26 123.01 2kq2 h ALA 46 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2kq2 h ALA 46 Cb 0.34 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2kq2 h ALA 46 CO 0.00 -1.18 -0.05 1.79 0.00 0.00 0.00 179.25 179.81 2kq2 h THR 47 N 0.00 0.07 0.00 0.00 1.35 -1.82 -3.40 112.91 109.10 2kq2 h THR 47 Ca 0.39 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 2kq2 h THR 47 Cb 1.90 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2kq2 h THR 47 CO -0.00 0.02 0.00 0.80 -0.25 0.00 0.00 175.52 176.09 2kq2 n MET 48 N -4.76 0.00 0.00 4.72 1.56 -0.36 -3.34 117.12 114.94 2kq2 n MET 48 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.42 2kq2 n MET 48 Cb 0.04 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.41 2kq2 n MET 48 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2kq2 n ARG 49 N 0.00 0.00 0.06 2.12 1.74 -1.26 -5.08 116.66 114.25 2kq2 n ARG 49 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2kq2 n ARG 49 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2kq2 n ARG 49 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2kq2 n ASN 50 N -0.61 -1.16 -0.01 0.55 6.94 -1.26 -4.92 115.26 114.80 2kq2 n ASN 50 Ca 0.00 0.30 -0.18 0.00 -0.02 0.00 0.00 54.58 54.68 2kq2 n ASN 50 Cb 0.00 1.35 -0.07 0.00 -2.36 0.00 0.00 39.78 38.70 2kq2 n ASN 50 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 2kq2 h VAL 51 N 0.00 1.28 -0.09 3.53 2.07 -1.92 -2.60 116.25 118.51 2kq2 h VAL 51 Ca 0.00 -2.03 0.02 0.00 0.82 0.00 0.00 66.70 65.52 2kq2 h VAL 51 Cb 0.00 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2kq2 h VAL 51 CO 0.00 0.64 0.14 0.00 0.02 0.00 0.00 177.57 178.37 2kq2 h ALA 52 N 0.54 1.52 -0.61 1.67 0.00 -1.91 0.13 119.26 120.59 2kq2 h ALA 52 Ca -0.07 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2kq2 h ALA 52 Cb 1.46 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 2kq2 h ALA 52 CO 0.17 -0.18 0.26 0.78 0.00 0.00 0.00 179.25 180.28 2kq2 h GLY 53 N 0.00 0.95 1.42 0.00 0.00 -1.46 0.18 103.07 104.16 2kq2 h GLY 53 Ca 0.04 -0.47 -0.18 0.00 0.00 0.00 0.00 47.33 46.72 2kq2 h GLY 53 CO -0.00 0.44 -0.64 0.83 0.00 0.00 0.00 176.54 177.17 2kq2 h GLU 54 N 0.87 0.59 -0.66 4.80 4.39 -1.06 -3.17 114.58 120.34 2kq2 h GLU 54 Ca 0.21 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.45 2kq2 h GLU 54 Cb 0.14 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 2kq2 h GLU 54 CO -0.02 1.04 0.24 0.82 -1.16 0.00 0.00 179.01 179.92 2kq2 h ILE 55 N 0.43 1.24 -0.74 3.13 2.04 -0.87 -1.56 117.51 121.18 2kq2 h ILE 55 Ca -0.01 -0.77 0.09 0.00 1.00 0.00 0.00 64.86 65.17 2kq2 h ILE 55 Cb 1.21 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 2kq2 h ILE 55 CO 0.12 0.31 0.48 0.00 0.00 0.00 0.00 178.15 179.06 2kq2 h ALA 56 N 1.30 1.83 0.12 1.87 0.00 -0.65 0.31 119.26 124.04 2kq2 h ALA 56 Ca 0.22 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.82 2kq2 h ALA 56 Cb 0.23 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 17.90 2kq2 h ALA 56 CO -0.01 0.02 -1.25 0.00 0.00 0.00 0.00 179.25 178.00 2kq2 h ALA 57 N 1.63 -0.00 -0.09 0.00 0.00 -1.47 -3.25 119.26 116.07 2kq2 h ALA 57 Ca 0.34 -0.78 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 2kq2 h ALA 57 Cb 0.46 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2kq2 h ALA 57 CO -0.12 0.70 -0.19 0.00 0.00 0.00 0.00 179.25 179.64 2kq2 h ALA 58 N 0.30 1.53 -0.34 0.00 0.00 -0.30 -1.93 119.26 118.52 2kq2 h ALA 58 Ca -0.19 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2kq2 h ALA 58 Cb 1.92 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 2kq2 h ALA 58 CO 0.24 0.34 0.02 1.25 0.00 0.00 0.00 179.25 181.10 2kq2 h LEU 59 N 0.13 0.48 -1.13 0.00 5.85 -0.47 -1.92 115.31 118.25 2kq2 h LEU 59 Ca 0.03 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 2kq2 h LEU 59 Cb 0.41 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2kq2 h LEU 59 CO 0.03 0.53 -0.38 0.22 -0.34 0.00 0.00 178.44 178.50 2kq2 h TYR 60 N 0.50 0.12 -0.06 1.25 5.03 -1.39 -1.19 116.97 121.23 2kq2 h TYR 60 Ca 0.11 -0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.32 2kq2 h TYR 60 Cb 0.29 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.53 2kq2 h TYR 60 CO 0.01 0.47 -0.31 0.00 -1.32 0.00 0.00 178.16 177.02 2kq2 h ALA 61 N 1.53 1.37 -0.15 1.82 0.00 -1.24 -1.04 119.26 121.54 2kq2 h ALA 61 Ca 0.01 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 2kq2 h ALA 61 Cb 0.72 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2kq2 h ALA 61 CO 0.05 0.45 -0.63 0.28 0.00 0.00 0.00 179.25 179.40 2kq2 h VAL 62 N 0.10 1.33 -0.87 0.00 2.07 -0.91 -2.40 116.25 115.57 2kq2 h VAL 62 Ca 0.01 -1.92 -0.02 0.00 0.82 0.00 0.00 66.70 65.59 2kq2 h VAL 62 Cb 0.60 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 2kq2 h VAL 62 CO 0.04 0.59 0.46 0.50 0.02 0.00 0.00 177.57 179.19 2kq2 h LYS 63 N 0.40 1.22 -0.13 1.57 3.11 -0.74 -2.08 116.57 119.93 2kq2 h LYS 63 Ca -0.01 -0.15 -0.03 0.00 -2.81 0.00 0.00 60.65 57.65 2kq2 h LYS 63 Cb 1.19 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 32.18 2kq2 h LYS 63 CO 0.12 0.91 -0.06 -0.22 -2.81 0.00 0.00 179.45 177.39 2kq2 h LYS 64 N 1.22 0.19 -0.17 1.90 3.64 -1.00 -2.86 116.57 119.48 2kq2 h LYS 64 Ca 0.30 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.70 2kq2 h LYS 64 Cb 0.05 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2kq2 h LYS 64 CO -0.05 0.26 0.14 0.00 -2.27 0.00 0.00 179.45 177.53 2kq2 h ALA 65 N 1.77 2.02 -0.43 5.00 0.00 -0.86 -0.60 119.26 126.16 2kq2 h ALA 65 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2kq2 h ALA 65 Cb 0.23 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2kq2 h ALA 65 CO 0.01 -0.23 0.20 0.66 0.00 0.00 0.00 179.25 179.90 2kq2 h SER 66 N 0.00 0.53 -0.23 0.00 4.64 -1.60 0.80 113.55 117.70 2kq2 h SER 66 Ca 0.08 -0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 61.20 2kq2 h SER 66 Cb 0.36 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2kq2 h SER 66 CO -0.00 0.45 -0.43 1.56 -0.87 0.00 0.00 176.83 177.55 2kq2 h GLN 67 N 0.59 0.78 0.00 4.77 4.20 -1.29 -3.04 115.11 121.12 2kq2 h GLN 67 Ca 0.15 -0.42 -0.11 0.00 0.06 0.00 0.00 58.65 58.33 2kq2 h GLN 67 Cb 0.06 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2kq2 h GLN 67 CO -0.02 1.05 -0.50 -0.07 -0.67 0.00 0.00 178.83 178.62 2kq2 h LEU 68 N 0.63 0.00 0.00 1.46 4.07 -1.40 -3.47 115.31 116.60 2kq2 h LEU 68 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 2kq2 h LEU 68 Cb 0.99 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.73 2kq2 h LEU 68 CO 0.09 0.50 0.00 0.61 -1.08 0.00 0.00 178.44 178.56 2kq2 n GLY 69 N 1.13 0.84 3.56 0.83 0.00 0.22 -5.07 105.19 106.69 2kq2 n GLY 69 Ca 0.02 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 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 3.45 0.19 1.61 -7.23 -0.93 -5.04 120.40 110.45 2kq2 s VAL 70 Ca 0.00 -0.78 0.11 0.00 -1.81 0.00 0.00 61.98 59.50 2kq2 s VAL 70 Cb 0.00 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 2kq2 s VAL 70 CO 0.00 0.44 -0.23 -0.54 -0.31 0.00 0.00 175.10 174.46 2kq2 s LYS 71 N -1.23 1.55 0.05 4.82 1.02 -1.26 -4.45 119.74 120.23 2kq2 s LYS 71 Ca 0.15 -1.49 0.06 0.00 0.02 0.00 0.00 55.97 54.72 2kq2 s LYS 71 Cb -0.11 -1.87 -0.03 0.00 -0.52 0.00 0.00 37.83 35.29 2kq2 s LYS 71 CO 0.05 0.41 -0.14 0.96 -0.92 0.00 0.00 175.35 175.71 2kq2 s ILE 72 N -1.61 3.07 -0.39 2.17 -5.25 -0.89 -4.61 121.20 113.68 2kq2 s ILE 72 Ca 0.20 -1.14 -0.04 0.00 -0.99 0.00 0.00 60.65 58.69 2kq2 s ILE 72 Cb -0.08 -2.34 0.09 0.00 2.95 0.00 0.00 42.46 43.08 2kq2 s ILE 72 CO 0.10 0.29 0.18 -0.13 -1.79 0.00 0.00 174.94 173.59 2kq2 s ARG 73 N -1.62 2.18 -0.08 0.37 3.00 -0.98 -4.70 118.95 117.11 2kq2 s ARG 73 Ca 0.17 -1.66 -0.25 0.00 0.00 0.00 0.00 55.73 53.98 2kq2 s ARG 73 Cb -0.11 -3.55 -0.03 0.00 0.00 0.00 0.00 34.95 31.27 2kq2 s ARG 73 CO 0.08 -0.97 0.78 0.96 0.00 0.00 0.00 175.30 176.14 2kq2 s ILE 74 N 1.21 4.98 -1.91 1.52 -5.25 -1.26 -2.22 121.20 118.26 2kq2 s ILE 74 Ca 0.05 1.59 0.00 0.00 -0.99 0.00 0.00 60.65 61.30 2kq2 s ILE 74 Cb -0.22 -4.11 0.00 0.00 2.95 0.00 0.00 42.46 41.08 2kq2 s ILE 74 CO -0.03 0.18 0.00 0.18 -1.79 0.00 0.00 174.94 173.48 2kq2 n LEU 75 N 4.18 -1.81 0.00 0.37 4.77 -0.46 -4.67 117.00 119.37 2kq2 n LEU 75 Ca 0.01 0.15 0.03 0.00 -0.03 0.00 0.00 56.01 56.18 2kq2 n LEU 75 Cb 0.51 -2.90 -0.01 0.00 -2.33 0.00 0.00 43.42 38.68 2kq2 n LEU 75 CO 0.48 -0.50 -0.05 1.41 -1.33 0.00 0.00 177.39 177.41 2kq2 n HIS 76 N -3.49 -2.04 -2.91 -1.77 8.25 -1.23 -4.79 115.22 107.23 2kq2 n HIS 76 Ca -0.23 0.32 -0.42 0.00 -0.26 0.00 0.00 57.72 57.12 2kq2 n HIS 76 Cb 0.69 -0.56 -0.05 0.00 1.12 0.00 0.00 29.99 31.19 2kq2 n HIS 76 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2kq2 s ASP 77 N -3.58 6.55 0.21 0.41 -1.08 -1.26 -4.82 116.67 113.10 2kq2 s ASP 77 Ca 0.00 0.29 0.10 0.00 -0.52 0.00 0.00 52.55 52.42 2kq2 s ASP 77 Cb 0.00 -2.41 -0.04 0.00 -1.46 0.00 0.00 42.92 39.00 2kq2 s ASP 77 CO 0.00 -0.82 -0.10 -0.47 0.52 0.00 0.00 175.17 174.30 2kq2 s TYR 78 N 3.28 2.59 -0.74 -5.34 5.04 -1.26 -5.03 117.35 115.88 2kq2 s TYR 78 Ca 0.33 -0.24 0.25 0.00 -2.44 0.00 0.00 57.07 54.97 2kq2 s TYR 78 Cb -0.12 -1.22 0.62 0.00 0.35 0.00 0.00 41.96 41.59 2kq2 s TYR 78 CO 0.19 0.56 1.56 0.00 -1.34 0.00 0.00 175.55 176.52 2kq2 n ALA 79 N -0.25 2.68 0.23 3.97 0.00 -1.26 -3.99 120.51 121.89 2kq2 n ALA 79 Ca -0.09 -0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.27 2kq2 n ALA 79 Cb 0.57 -1.31 0.38 0.00 0.00 0.00 0.00 19.45 19.09 2kq2 n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kq2 n GLY 80 N 1.36 -0.89 0.33 0.00 0.00 -1.26 -2.54 105.19 102.19 2kq2 n GLY 80 Ca 0.05 0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.23 2kq2 n GLY 80 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2kq2 h ILE 81 N 0.00 1.01 0.00 -0.61 2.10 -1.92 -0.12 117.51 117.97 2kq2 h ILE 81 Ca 0.00 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.76 2kq2 h ILE 81 Cb 0.12 0.44 0.00 0.00 -1.09 0.00 0.00 36.82 36.30 2kq2 h ILE 81 CO 0.00 0.10 -0.20 0.00 -1.08 0.00 0.00 178.15 176.96 2kq2 n ALA 82 N -2.49 2.57 0.73 0.18 0.00 -1.05 -3.27 120.51 117.18 2kq2 n ALA 82 Ca 0.07 -0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.48 2kq2 n ALA 82 Cb 0.20 -1.36 0.28 0.00 0.00 0.00 0.00 19.45 18.56 2kq2 n ALA 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2kq2 n PHE 83 N -1.99 0.42 -0.03 0.00 3.72 -0.07 -3.91 117.46 115.61 2kq2 n PHE 83 Ca 0.05 -0.21 -0.15 0.00 -0.05 0.00 0.00 57.45 57.09 2kq2 n PHE 83 Cb 0.40 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.85 2kq2 n PHE 83 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 176.76 175.22 2kq2 h TRP 84 N 3.06 0.45 -0.50 1.38 4.06 -1.51 0.42 115.95 123.31 2kq2 h TRP 84 Ca 0.00 -0.21 -0.04 0.00 2.06 0.00 0.00 58.89 60.70 2kq2 h TRP 84 Cb 0.68 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.75 2kq2 h TRP 84 CO 0.21 0.97 0.18 0.00 -3.56 0.00 0.00 178.44 176.24 2kq2 h ALA 85 N 0.39 0.65 0.00 1.49 0.00 -1.80 -1.34 119.26 118.66 2kq2 h ALA 85 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2kq2 h ALA 85 Cb 1.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2kq2 h ALA 85 CO 0.07 0.29 -0.68 0.25 0.00 0.00 0.00 179.25 179.18 2kq2 n THR 86 N -4.52 0.06 -0.02 0.00 -2.24 -1.25 -3.80 114.28 102.51 2kq2 n THR 86 Ca 0.02 -0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 61.64 2kq2 n THR 86 Cb 0.18 0.34 -0.14 0.00 -2.10 0.00 0.00 70.33 68.60 2kq2 n THR 86 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2kq2 h GLY 87 N 4.88 0.02 0.59 3.38 0.00 -0.67 -3.31 103.07 107.96 2kq2 h GLY 87 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 2kq2 h GLY 87 CO 0.00 0.05 -0.23 0.83 0.00 0.00 0.00 176.54 177.19 2kq2 h GLU 88 N 0.01 -0.63 -1.76 4.80 4.39 -1.40 -3.47 114.58 116.52 2kq2 h GLU 88 Ca -0.28 0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.54 2kq2 h GLU 88 Cb 2.01 0.14 -0.23 0.00 -0.10 0.00 0.00 28.75 30.57 2kq2 h GLU 88 CO 0.08 -0.35 0.09 -0.46 -1.16 0.00 0.00 179.01 177.22 2kq2 s TRP 89 N -4.20 -0.97 0.03 4.33 -0.11 -1.25 -5.13 118.94 111.64 2kq2 s TRP 89 Ca -0.12 1.83 -0.30 0.00 1.22 0.00 0.00 56.10 58.73 2kq2 s TRP 89 Cb 0.01 0.58 -0.08 0.00 -1.50 0.00 0.00 33.47 32.49 2kq2 s TRP 89 CO 0.41 -0.48 1.77 0.21 -4.62 0.00 0.00 176.95 174.23 2kq2 s LYS 90 N 2.00 4.17 -0.94 5.86 2.20 -1.25 -4.57 119.74 127.21 2kq2 s LYS 90 Ca -0.08 2.41 -0.24 0.00 -0.36 0.00 0.00 55.97 57.70 2kq2 s LYS 90 Cb -0.07 -3.87 0.01 0.00 -1.51 0.00 0.00 37.83 32.40 2kq2 s LYS 90 CO -0.18 -0.84 1.62 0.00 -0.36 0.00 0.00 175.35 175.59 2kq2 s ALA 91 N 3.56 2.33 0.12 3.13 0.00 -1.26 -4.75 121.76 124.90 2kq2 s ALA 91 Ca 0.79 -1.86 0.01 0.00 0.00 0.00 0.00 51.96 50.90 2kq2 s ALA 91 Cb -0.40 -4.51 -0.14 0.00 0.00 0.00 0.00 23.12 18.07 2kq2 s ALA 91 CO 0.35 -4.01 1.28 -0.22 0.00 0.00 0.00 175.76 173.15 2kq2 h LYS 92 N 10.57 0.19 -5.36 0.00 3.64 -1.91 -3.45 116.57 120.26 2kq2 h LYS 92 Ca 0.11 -0.27 -0.52 0.00 -1.27 0.00 0.00 60.65 58.70 2kq2 h LYS 92 Cb 1.02 0.09 -0.14 0.00 -0.41 0.00 0.00 32.23 32.79 2kq2 h LYS 92 CO 1.33 1.06 -0.61 -0.80 -2.27 0.00 0.00 179.45 178.16 2kq2 s ASN 93 N -6.97 2.81 0.42 4.20 -0.87 -1.26 -5.02 114.94 108.25 2kq2 s ASN 93 Ca -0.03 -1.37 0.20 0.00 -1.57 0.00 0.00 52.86 50.09 2kq2 s ASN 93 Cb 0.09 -0.18 0.90 0.00 -0.02 0.00 0.00 41.25 42.05 2kq2 s ASN 93 CO 0.85 -0.55 1.85 -0.33 -2.57 0.00 0.00 177.10 176.34 2kq2 h GLU 94 N 2.03 0.00 -0.37 -0.60 5.08 -1.97 0.28 114.58 119.02 2kq2 h GLU 94 Ca -0.42 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 57.99 2kq2 h GLU 94 Cb 1.24 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 2kq2 h GLU 94 CO 0.73 0.30 0.10 0.35 -1.00 0.00 0.00 179.01 179.49 2kq2 h PHE 95 N 0.00 0.18 -0.13 4.33 3.57 -1.99 -1.19 116.94 121.70 2kq2 h PHE 95 Ca -0.00 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 2kq2 h PHE 95 Cb 0.69 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2kq2 h PHE 95 CO 0.00 0.05 -0.58 1.15 -2.23 0.00 0.00 178.31 176.70 2kq2 h THR 96 N 0.24 1.35 -0.33 4.41 2.02 -1.74 -3.13 112.91 115.74 2kq2 h THR 96 Ca 0.17 -1.89 0.04 0.00 0.77 0.00 0.00 66.41 65.51 2kq2 h THR 96 Cb 0.18 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 2kq2 h THR 96 CO -0.20 0.57 0.22 1.56 0.37 0.00 0.00 175.52 178.04 2kq2 h GLN 97 N 0.31 0.27 -0.70 6.66 4.20 0.13 -0.67 115.11 125.31 2kq2 h GLN 97 Ca -0.00 -0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.79 2kq2 h GLN 97 Cb 1.11 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.78 2kq2 h GLN 97 CO 0.10 0.18 0.46 0.00 -0.67 0.00 0.00 178.83 178.91 2kq2 h ALA 98 N 1.82 1.88 -0.10 3.87 0.00 -1.17 0.61 119.26 126.17 2kq2 h ALA 98 Ca 0.14 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 2kq2 h ALA 98 Cb 0.20 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2kq2 h ALA 98 CO -0.03 -0.03 -0.69 -0.92 0.00 0.00 0.00 179.25 177.58 2kq2 h TYR 99 N 0.58 0.88 -0.23 0.00 3.20 -1.28 -2.23 116.97 117.89 2kq2 h TYR 99 Ca 0.32 -0.41 -0.15 0.00 3.14 0.00 0.00 58.73 61.64 2kq2 h TYR 99 Cb 0.49 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 2kq2 h TYR 99 CO -0.00 1.22 -0.46 0.00 -1.64 0.00 0.00 178.16 177.28 2kq2 h ALA 100 N 0.48 0.76 0.00 1.82 0.00 -1.13 -2.85 119.26 118.34 2kq2 h ALA 100 Ca -0.06 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 2kq2 h ALA 100 Cb 1.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2kq2 h ALA 100 CO 0.14 0.67 -0.39 -0.22 0.00 0.00 0.00 179.25 179.45 2kq2 h LYS 101 N 0.48 0.00 -0.76 0.00 3.64 0.17 0.13 116.57 120.24 2kq2 h LYS 101 Ca 0.03 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2kq2 h LYS 101 Cb 0.99 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.77 2kq2 h LYS 101 CO 0.09 0.39 0.50 1.25 -2.27 0.00 0.00 179.45 179.40 2kq2 h LEU 102 N 0.00 0.84 -0.16 5.20 6.46 -1.16 0.11 115.31 126.60 2kq2 h LEU 102 Ca -0.00 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.67 2kq2 h LEU 102 Cb 0.76 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.49 2kq2 h LEU 102 CO 0.05 0.60 -0.17 0.24 -0.62 0.00 0.00 178.44 178.54 2kq2 h MET 103 N 0.99 0.40 -0.69 1.25 2.86 -1.32 -3.20 114.93 115.22 2kq2 h MET 103 Ca 0.29 -0.22 0.09 0.00 -2.06 0.00 0.00 59.70 57.80 2kq2 h MET 103 Cb -0.07 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 2kq2 h MET 103 CO -0.08 0.78 0.46 -0.97 1.06 0.00 0.00 176.91 178.16 2kq2 h ASN 104 N 0.04 0.55 -0.92 1.22 -1.24 -0.59 0.80 115.58 115.44 2kq2 h ASN 104 Ca 0.02 0.01 0.13 0.00 0.71 0.00 0.00 56.30 57.17 2kq2 h ASN 104 Cb 0.72 -0.11 -0.09 0.00 0.73 0.00 0.00 38.32 39.57 2kq2 h ASN 104 CO 0.04 0.34 0.54 -0.61 -1.29 0.00 0.00 177.43 176.44 2kq2 h GLN 105 N 0.61 0.79 0.00 6.67 4.15 -0.79 -2.81 115.11 123.73 2kq2 h GLN 105 Ca 0.31 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.57 2kq2 h GLN 105 Cb 0.42 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 2kq2 h GLN 105 CO -0.10 0.52 -1.70 0.98 -1.93 0.00 0.00 178.83 176.60 2kq2 n TYR 106 N -4.74 0.49 -1.98 3.99 9.36 -0.29 -4.94 117.16 119.06 2kq2 n TYR 106 Ca 0.18 0.16 -0.39 0.00 3.32 0.00 0.00 57.90 61.16 2kq2 n TYR 106 Cb 0.38 -0.86 0.00 0.00 -0.63 0.00 0.00 39.34 38.24 2kq2 n TYR 106 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2kq2 s ARG 107 N -3.12 3.83 0.00 2.98 1.81 0.12 -4.35 118.95 120.22 2kq2 s ARG 107 Ca -0.05 2.21 0.00 0.00 -1.72 0.00 0.00 55.73 56.16 2kq2 s ARG 107 Cb 0.10 -2.68 0.00 0.00 -0.45 0.00 0.00 34.95 31.92 2kq2 s ARG 107 CO 0.84 -0.62 0.00 0.41 -0.68 0.00 0.00 175.30 175.25 2kq2 n GLY 108 N 0.64 1.36 0.07 -3.53 0.00 -1.26 -4.87 105.19 97.60 2kq2 n GLY 108 Ca 0.05 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 2kq2 n GLY 108 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2kq2 h ILE 109 N 0.00 1.64 -3.84 -0.61 -2.65 -1.86 -3.45 117.51 106.74 2kq2 h ILE 109 Ca 0.00 -3.20 -0.22 0.00 1.03 0.00 0.00 64.86 62.47 2kq2 h ILE 109 Cb 0.00 2.74 -0.25 0.00 -2.05 0.00 0.00 36.82 37.25 2kq2 h ILE 109 CO 0.00 0.91 -0.72 -0.47 0.03 0.00 0.00 178.15 177.90 2kq2 s TYR 110 N -2.84 0.16 0.28 0.16 5.04 -1.26 -2.10 117.35 116.78 2kq2 s TYR 110 Ca 0.01 -0.22 -0.17 0.00 -2.44 0.00 0.00 57.07 54.25 2kq2 s TYR 110 Cb 0.10 -0.11 0.01 0.00 0.35 0.00 0.00 41.96 42.31 2kq2 s TYR 110 CO 0.81 -0.07 0.62 -1.12 -1.34 0.00 0.00 175.55 174.45 2kq2 s SER 111 N -0.60 -0.14 -0.03 4.32 0.01 -1.26 -4.49 113.70 111.51 2kq2 s SER 111 Ca -0.06 -0.80 0.04 0.00 1.31 0.00 0.00 55.95 56.44 2kq2 s SER 111 Cb -0.04 0.68 -0.01 0.00 0.21 0.00 0.00 66.02 66.86 2kq2 s SER 111 CO -0.00 -1.29 -0.17 0.12 0.41 0.00 0.00 173.24 172.31 2kq2 s PHE 112 N -3.82 1.60 0.09 2.43 5.36 -1.26 -4.82 117.98 117.56 2kq2 s PHE 112 Ca 0.16 -0.40 0.04 0.00 -0.96 0.00 0.00 56.93 55.77 2kq2 s PHE 112 Cb -0.04 -1.06 -0.03 0.00 -0.34 0.00 0.00 43.02 41.55 2kq2 s PHE 112 CO 0.09 -0.11 -0.11 -1.21 -1.46 0.00 0.00 175.22 172.41 2kq2 s GLU 113 N -0.09 0.84 -0.55 10.12 0.41 -1.26 -4.94 118.70 123.23 2kq2 s GLU 113 Ca -0.00 -1.11 -0.10 0.00 -0.41 0.00 0.00 54.97 53.35 2kq2 s GLU 113 Cb -0.10 -0.62 0.14 0.00 -1.78 0.00 0.00 34.13 31.77 2kq2 s GLU 113 CO 0.01 0.11 0.45 0.15 -0.49 0.00 0.00 175.26 175.49 2kq2 s LYS 114 N -2.51 2.74 0.02 1.61 3.01 -1.26 -4.83 119.74 118.52 2kq2 s LYS 114 Ca 0.04 -1.95 0.02 0.00 -1.01 0.00 0.00 55.97 53.07 2kq2 s LYS 114 Cb -0.05 -4.04 -0.04 0.00 -1.01 0.00 0.00 37.83 32.69 2kq2 s LYS 114 CO 0.01 -1.23 -0.01 0.14 0.51 0.00 0.00 175.35 174.77 2kq2 s VAL 115 N 1.05 4.03 -0.93 3.17 -7.23 -0.23 -5.02 120.40 115.24 2kq2 s VAL 115 Ca 0.08 -0.71 -0.09 0.00 -1.81 0.00 0.00 61.98 59.45 2kq2 s VAL 115 Cb -0.24 -2.81 0.24 0.00 0.56 0.00 0.00 36.38 34.13 2kq2 s VAL 115 CO -0.02 0.33 0.88 -0.75 -0.31 0.00 0.00 175.10 175.23 2kq2 s LYS 116 N -1.68 3.70 0.09 4.82 2.47 -1.26 -4.05 119.74 123.83 2kq2 s LYS 116 Ca 0.20 -2.89 0.05 0.00 -1.56 0.00 0.00 55.97 51.77 2kq2 s LYS 116 Cb -0.11 -4.35 -0.03 0.00 -1.46 0.00 0.00 37.83 31.88 2kq2 s LYS 116 CO 0.11 -1.26 -0.12 0.00 0.16 0.00 0.00 175.35 174.24 2kq2 s ALA 117 N -0.65 1.20 -0.11 3.13 0.00 -1.26 -5.02 121.76 119.04 2kq2 s ALA 117 Ca 0.24 -1.13 0.11 0.00 0.00 0.00 0.00 51.96 51.18 2kq2 s ALA 117 Cb -0.11 -0.04 0.19 0.00 0.00 0.00 0.00 23.12 23.16 2kq2 s ALA 117 CO -0.09 0.06 1.11 1.58 0.00 0.00 0.00 175.76 178.43 2kq2 n HIS 118 N 0.83 0.07 -0.29 0.00 -0.00 -1.26 -4.71 115.22 109.86 2kq2 n HIS 118 Ca -0.18 -0.77 -0.10 0.00 0.46 0.00 0.00 57.72 57.13 2kq2 n HIS 118 Cb 0.56 -0.11 0.04 0.00 -0.12 0.00 0.00 29.99 30.36 2kq2 n HIS 118 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2kq2 n SER 119 N -0.94 4.76 -4.57 0.26 2.88 -1.26 -4.90 113.62 109.85 2kq2 n SER 119 Ca 0.10 -2.72 -0.41 0.00 -1.33 0.00 0.00 58.87 54.50 2kq2 n SER 119 Cb 0.49 -0.86 -0.04 0.00 -0.75 0.00 0.00 64.21 63.06 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 0.32 0.67 3.78 0.46 0.00 -1.26 -4.94 105.19 104.22 2kq2 n GLY 120 Ca 0.21 0.76 -0.30 0.00 0.00 0.00 0.00 46.02 46.69 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 9.59 4.35 0.50 1.61 3.84 -1.26 -4.92 114.94 128.65 2kq2 s ASN 121 Ca 1.01 1.48 0.25 0.00 0.21 0.00 0.00 52.86 55.82 2kq2 s ASN 121 Cb -0.34 -2.21 1.32 0.00 -0.55 0.00 0.00 41.25 39.47 2kq2 s ASN 121 CO 0.33 -2.08 2.03 -0.33 -2.79 0.00 0.00 177.10 174.26 2kq2 h GLU 122 N -1.16 0.00 0.00 0.43 5.08 -2.03 -0.95 114.58 115.94 2kq2 h GLU 122 Ca -0.47 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.82 2kq2 h GLU 122 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2kq2 h GLU 122 CO 0.56 0.15 -0.36 0.74 -1.00 0.00 0.00 179.01 179.10 2kq2 h PHE 123 N 0.00 0.00 -0.06 4.33 0.04 -2.01 -3.15 116.94 116.09 2kq2 h PHE 123 Ca -0.00 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.79 2kq2 h PHE 123 Cb 0.40 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 2kq2 h PHE 123 CO 0.00 0.36 0.06 -0.91 -0.60 0.00 0.00 178.31 177.22 2kq2 h ASN 124 N 0.00 0.00 -0.67 2.17 4.21 -1.52 -1.98 115.58 117.79 2kq2 h ASN 124 Ca -0.00 0.00 0.16 0.00 1.21 0.00 0.00 56.30 57.67 2kq2 h ASN 124 Cb 0.82 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.98 2kq2 h ASN 124 CO 0.05 0.00 0.46 -0.78 -1.29 0.00 0.00 177.43 175.87 2kq2 h ASP 125 N 0.00 0.18 0.23 5.81 3.58 -1.68 0.32 116.42 124.86 2kq2 h ASP 125 Ca 0.03 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 2kq2 h ASP 125 Cb 0.14 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.17 2kq2 h ASP 125 CO -0.00 0.09 -0.11 1.88 -2.88 0.00 0.00 179.24 178.22 2kq2 h TYR 126 N 0.19 -0.28 0.00 0.28 0.05 -1.60 -1.08 116.97 114.52 2kq2 h TYR 126 Ca 0.32 -0.01 -0.06 0.00 0.05 0.00 0.00 58.73 59.04 2kq2 h TYR 126 Cb 1.01 0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.83 2kq2 h TYR 126 CO -0.00 0.10 -0.28 -0.24 -1.05 0.00 0.00 178.16 176.69 2kq2 h VAL 127 N -0.78 0.87 0.36 -2.88 3.04 -1.55 -2.34 116.25 112.97 2kq2 h VAL 127 Ca -0.03 -1.09 -0.02 0.00 -1.01 0.00 0.00 66.70 64.55 2kq2 h VAL 127 Cb 0.51 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 2kq2 h VAL 127 CO 0.05 0.27 -0.17 -0.78 -1.01 0.00 0.00 177.57 175.93 2kq2 h ASP 128 N 0.00 -0.41 -0.23 3.17 3.58 -0.33 0.21 116.42 122.41 2kq2 h ASP 128 Ca -0.00 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.31 2kq2 h ASP 128 Cb 0.63 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 2kq2 h ASP 128 CO 0.04 -0.09 0.10 0.00 -2.88 0.00 0.00 179.24 176.40 2kq2 h MET 129 N -0.76 0.39 0.04 0.28 -0.00 -1.09 0.76 114.93 114.55 2kq2 h MET 129 Ca -0.05 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.70 59.60 2kq2 h MET 129 Cb 0.51 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 32.04 2kq2 h MET 129 CO 0.08 0.34 -0.02 0.87 -0.00 0.00 0.00 176.91 178.19 2kq2 h LYS 130 N 0.39 -0.05 -0.26 -0.10 1.79 -1.34 -2.19 116.57 114.82 2kq2 h LYS 130 Ca 0.10 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 2kq2 h LYS 130 Cb 0.11 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 2kq2 h LYS 130 CO -0.01 0.37 0.07 0.00 -1.08 0.00 0.00 179.45 178.81 2kq2 h ALA 131 N 0.45 0.34 -0.44 3.86 0.00 -0.56 -1.87 119.26 121.04 2kq2 h ALA 131 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kq2 h ALA 131 Cb 0.44 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2kq2 h ALA 131 CO 0.01 -0.01 0.29 0.87 0.00 0.00 0.00 179.25 180.41 2kq2 h LYS 132 N 0.25 0.58 -0.32 0.00 1.57 -0.94 -1.98 116.57 115.73 2kq2 h LYS 132 Ca 0.08 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 2kq2 h LYS 132 Cb 0.26 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2kq2 h LYS 132 CO -0.00 0.38 -0.10 1.03 -0.57 0.00 0.00 179.45 180.20 2kq2 h SER 133 N 0.60 0.52 0.72 0.86 0.87 -1.31 0.72 113.55 116.53 2kq2 h SER 133 Ca 0.16 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 2kq2 h SER 133 Cb -0.07 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 2kq2 h SER 133 CO -0.03 0.66 -0.19 0.00 -0.53 0.00 0.00 176.83 176.73 2kq2 h ALA 134 N 1.40 1.11 -0.20 6.23 0.00 -0.87 -1.70 119.26 125.22 2kq2 h ALA 134 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kq2 h ALA 134 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2kq2 h ALA 134 CO 0.03 0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.80 2kq2 n LEU 135 N -3.47 2.19 0.00 0.00 4.77 -0.75 -4.79 117.00 114.96 2kq2 n LEU 135 Ca -0.01 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 2kq2 n LEU 135 Cb 0.36 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2kq2 n LEU 135 CO 0.32 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 2kq2 n GLY 136 N 1.24 0.50 3.65 -0.72 0.00 -0.64 -5.01 105.19 104.22 2kq2 n GLY 136 Ca 0.17 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2kq2 n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kq2 s ILE 137 N -2.00 4.96 0.22 -0.61 1.01 0.17 -4.99 121.20 119.97 2kq2 s ILE 137 Ca 0.00 1.31 -0.02 0.00 0.00 0.00 0.00 60.65 61.95 2kq2 s ILE 137 Cb 0.00 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 2kq2 s ILE 137 CO 0.00 0.05 0.20 0.00 0.00 0.00 0.00 174.94 175.19 2kq2 s ARG 138 N 2.22 1.33 -0.29 2.79 3.03 -1.26 -3.88 118.95 122.89 2kq2 s ARG 138 Ca 0.31 -1.62 -0.29 0.00 2.03 0.00 0.00 55.73 56.16 2kq2 s ARG 138 Cb -0.16 0.31 -0.01 0.00 -1.03 0.00 0.00 34.95 34.06 2kq2 s ARG 138 CO 0.10 -0.46 1.48 0.34 -1.13 0.00 0.00 175.30 175.62 2kq2 s ASP 139 N -3.16 6.45 0.02 -2.89 2.15 -1.26 -4.86 116.67 113.11 2kq2 s ASP 139 Ca 0.37 1.32 0.19 0.00 0.43 0.00 0.00 52.55 54.85 2kq2 s ASP 139 Cb 0.05 -2.54 -0.18 0.00 -0.30 0.00 0.00 42.92 39.96 2kq2 s ASP 139 CO 0.13 -1.25 0.66 0.18 -0.17 0.00 0.00 175.17 174.73 2kq2 n LEU 140 N 8.33 0.56 0.00 -1.34 4.77 -1.26 -4.78 117.00 123.28 2kq2 n LEU 140 Ca 0.17 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2kq2 n LEU 140 Cb 0.46 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2kq2 n LEU 140 CO 0.65 0.13 -0.04 -1.84 -1.33 0.00 0.00 177.39 174.97 2kq2 n GLU 141 N -2.72 5.48 -2.35 3.23 0.28 -1.26 -5.00 120.64 118.30 2kq2 n GLU 141 Ca -0.11 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.54 2kq2 n GLU 141 Cb 0.80 -0.53 -0.04 0.00 1.43 0.00 0.00 31.44 33.10 2kq2 n GLU 141 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2kq2 s HIS 142 N -0.15 2.24 0.26 -1.84 3.76 -1.26 -4.94 115.29 113.35 2kq2 s HIS 142 Ca 0.00 -0.25 0.06 0.00 -0.15 0.00 0.00 55.06 54.72 2kq2 s HIS 142 Cb 0.00 -4.43 -0.03 0.00 1.11 0.00 0.00 32.58 29.23 2kq2 s HIS 142 CO 0.00 -1.85 0.32 -3.38 -0.85 0.00 0.00 174.74 168.98 2kq2 s HIS 143 N 7.11 3.27 0.00 1.40 -3.43 -1.26 -4.44 115.29 117.95 2kq2 s HIS 143 Ca 0.56 -0.09 0.00 0.00 -0.80 0.00 0.00 55.06 54.73 2kq2 s HIS 143 Cb -0.03 -1.58 0.00 0.00 -1.43 0.00 0.00 32.58 29.54 2kq2 s HIS 143 CO -0.06 0.40 0.00 1.58 -2.00 0.00 0.00 174.74 174.66 2kq2 n HIS 144 N -1.36 0.00 -2.50 0.38 -0.00 -1.26 -4.75 115.22 105.73 2kq2 n HIS 144 Ca -0.07 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.24 2kq2 n HIS 144 Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.55 2kq2 n HIS 144 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kq2 s HIS 145 N 0.00 2.61 0.00 1.57 5.04 -1.26 -3.04 115.29 120.21 2kq2 s HIS 145 Ca 0.00 -1.19 0.00 0.00 -1.54 0.00 0.00 55.06 52.33 2kq2 s HIS 145 Cb 0.00 -4.63 0.00 0.00 0.04 0.00 0.00 32.58 27.99 2kq2 s HIS 145 CO 0.00 -1.74 0.00 1.58 -2.34 0.00 0.00 174.74 172.24 2kq2 n HIS 146 N 9.41 0.00 -1.01 3.88 -0.00 -1.26 -4.90 115.22 121.34 2kq2 n HIS 146 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.18 2kq2 n HIS 146 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 2kq2 n HIS 146 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95