#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 6.98 -1.27 6.12 2.15 -1.26 -4.98 116.67 124.42 2kq2 s ASP 2 Ca 0.00 -2.96 -0.18 0.00 0.43 0.00 0.00 52.55 49.84 2kq2 s ASP 2 Cb 0.00 -2.26 0.01 0.00 -0.30 0.00 0.00 42.92 40.37 2kq2 s ASP 2 CO 0.00 -0.56 1.94 0.47 -0.17 0.00 0.00 175.17 176.84 2kq2 n ASP 3 N 4.11 4.04 0.00 -0.34 8.00 -1.26 -4.09 116.55 127.01 2kq2 n ASP 3 Ca 0.22 -2.83 0.00 0.00 0.71 0.00 0.00 54.79 52.88 2kq2 n ASP 3 Cb 0.44 -1.65 0.00 0.00 -0.02 0.00 0.00 41.12 39.89 2kq2 n ASP 3 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kq2 n ARG 4 N 7.53 -0.01 -3.52 -1.24 1.74 -1.26 -5.04 116.66 114.86 2kq2 n ARG 4 Ca 0.49 -0.18 -0.42 0.00 -0.77 0.00 0.00 57.85 56.97 2kq2 n ARG 4 Cb 0.43 -0.56 -0.07 0.00 -1.02 0.00 0.00 32.46 31.24 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 -0.03 4.47 -0.03 0.55 -1.32 -1.26 -4.90 115.64 113.12 2kq2 s THR 5 Ca 0.00 -2.09 -0.02 0.00 -1.21 0.00 0.00 61.69 58.37 2kq2 s THR 5 Cb 0.00 -3.89 0.01 0.00 -1.51 0.00 0.00 72.50 67.11 2kq2 s THR 5 CO 0.00 -0.85 0.04 -1.84 -2.21 0.00 0.00 174.62 169.76 2kq2 n GLU 6 N 4.53 -1.80 -2.34 7.08 0.28 -1.26 -4.66 120.64 122.47 2kq2 n GLU 6 Ca -0.02 1.52 -0.42 0.00 -0.16 0.00 0.00 57.16 58.08 2kq2 n GLU 6 Cb 0.41 -1.60 -0.03 0.00 1.43 0.00 0.00 31.44 31.65 2kq2 n GLU 6 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2kq2 s TYR 7 N -0.13 3.05 -0.61 -1.84 2.02 -0.95 -4.51 117.35 114.38 2kq2 s TYR 7 Ca -0.05 1.03 -0.03 0.00 -0.37 0.00 0.00 57.07 57.65 2kq2 s TYR 7 Cb 0.00 -3.54 0.16 0.00 -0.40 0.00 0.00 41.96 38.18 2kq2 s TYR 7 CO 0.13 -1.86 0.43 0.34 -1.57 0.00 0.00 175.55 173.02 2kq2 s ASP 8 N 1.62 5.28 -0.33 2.29 2.15 -1.22 -3.51 116.67 122.95 2kq2 s ASP 8 Ca 0.60 -2.78 -0.13 0.00 0.43 0.00 0.00 52.55 50.67 2kq2 s ASP 8 Cb -0.28 -1.86 -0.02 0.00 -0.30 0.00 0.00 42.92 40.45 2kq2 s ASP 8 CO 0.25 -0.39 0.25 -0.69 -0.17 0.00 0.00 175.17 174.41 2kq2 s VAL 9 N 0.05 5.28 -0.09 1.11 1.01 -1.24 -4.50 120.40 122.01 2kq2 s VAL 9 Ca 0.16 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 2kq2 s VAL 9 Cb -0.20 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.50 2kq2 s VAL 9 CO -0.04 0.01 0.24 -0.72 0.00 0.00 0.00 175.10 174.60 2kq2 s TYR 10 N 1.76 -0.28 -0.21 5.22 1.13 -1.26 -4.43 117.35 119.28 2kq2 s TYR 10 Ca 0.07 0.67 -0.21 0.00 -1.41 0.00 0.00 57.07 56.19 2kq2 s TYR 10 Cb -0.17 0.08 0.06 0.00 -1.10 0.00 0.00 41.96 40.83 2kq2 s TYR 10 CO 0.11 -0.15 0.59 0.99 -2.51 0.00 0.00 175.55 174.58 2kq2 s THR 11 N 0.40 0.00 0.07 -3.49 2.01 -1.26 -4.73 115.64 108.64 2kq2 s THR 11 Ca -0.02 -0.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.86 2kq2 s THR 11 Cb -0.04 -0.83 -0.06 0.00 0.01 0.00 0.00 72.50 71.58 2kq2 s THR 11 CO -0.02 -0.01 0.40 -0.62 -0.69 0.00 0.00 174.62 173.68 2kq2 s ASP 12 N 0.19 6.65 -1.39 3.53 2.15 -1.26 -5.00 116.67 121.54 2kq2 s ASP 12 Ca -0.01 0.80 -0.10 0.00 0.43 0.00 0.00 52.55 53.68 2kq2 s ASP 12 Cb -0.04 -2.18 0.08 0.00 -0.30 0.00 0.00 42.92 40.48 2kq2 s ASP 12 CO 0.01 0.19 2.25 0.61 -0.17 0.00 0.00 175.17 178.07 2kq2 n GLY 13 N 1.00 4.70 3.78 2.66 0.00 -1.26 -4.90 105.19 111.17 2kq2 n GLY 13 Ca -0.09 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 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 1.53 5.58 0.30 1.61 0.01 -1.26 -5.05 113.70 116.42 2kq2 s SER 14 Ca 0.49 2.01 0.03 0.00 1.31 0.00 0.00 55.95 59.79 2kq2 s SER 14 Cb 0.14 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.76 2kq2 s SER 14 CO -0.05 -1.31 0.09 -0.72 0.41 0.00 0.00 173.24 171.66 2kq2 s TYR 15 N -2.14 1.74 -0.21 2.43 1.13 -1.26 -4.55 117.35 114.49 2kq2 s TYR 15 Ca 0.68 -1.12 -0.15 0.00 -1.41 0.00 0.00 57.07 55.08 2kq2 s TYR 15 Cb -0.20 -1.08 0.06 0.00 -1.10 0.00 0.00 41.96 39.64 2kq2 s TYR 15 CO 0.33 -0.21 0.53 0.54 -2.51 0.00 0.00 175.55 174.23 2kq2 s VAL 16 N -3.51 -0.01 -1.54 -3.49 0.11 0.39 -4.90 120.40 107.45 2kq2 s VAL 16 Ca 0.36 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.44 2kq2 s VAL 16 Cb 0.07 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 34.17 2kq2 s VAL 16 CO 0.15 0.01 0.00 0.59 -3.33 0.00 0.00 175.10 172.52 2kq2 n ASN 17 N 3.60 -5.05 0.00 3.54 3.02 -1.26 -1.00 115.26 118.10 2kq2 n ASN 17 Ca -0.18 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2kq2 n ASN 17 Cb 0.56 -4.13 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 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 -0.99 0.40 3.51 7.41 0.00 -1.26 -5.00 105.19 109.26 2kq2 n GLY 18 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.57 2.16 0.04 1.61 -1.52 -0.17 -5.13 119.66 116.08 2kq2 s GLN 19 Ca 0.00 -0.95 0.01 0.00 -1.95 0.00 0.00 55.36 52.46 2kq2 s GLN 19 Cb 0.00 -2.27 -0.03 0.00 -0.22 0.00 0.00 33.01 30.49 2kq2 s GLN 19 CO 0.00 0.54 -0.05 1.52 -0.25 0.00 0.00 175.29 177.05 2kq2 s TYR 20 N -1.02 0.50 0.17 0.91 -0.85 -1.26 -0.46 117.35 115.33 2kq2 s TYR 20 Ca 0.17 -0.65 -0.02 0.00 -0.52 0.00 0.00 57.07 56.05 2kq2 s TYR 20 Cb -0.11 -0.33 -0.04 0.00 0.38 0.00 0.00 41.96 41.87 2kq2 s TYR 20 CO 0.08 -0.18 0.12 0.00 -1.52 0.00 0.00 175.55 174.04 2kq2 s ALA 21 N -2.06 0.90 -0.16 9.51 0.00 -1.26 -4.43 121.76 124.25 2kq2 s ALA 21 Ca -0.07 -1.51 -0.13 0.00 0.00 0.00 0.00 51.96 50.25 2kq2 s ALA 21 Cb -0.06 1.09 -0.05 0.00 0.00 0.00 0.00 23.12 24.11 2kq2 s ALA 21 CO -0.02 -0.55 0.26 1.67 0.00 0.00 0.00 175.76 177.11 2kq2 s TRP 22 N -4.09 3.46 -0.25 0.00 1.48 -0.21 -4.89 118.94 114.44 2kq2 s TRP 22 Ca 0.30 0.55 -0.20 0.00 -1.06 0.00 0.00 56.10 55.69 2kq2 s TRP 22 Cb 0.07 -2.30 0.07 0.00 -1.16 0.00 0.00 33.47 30.15 2kq2 s TRP 22 CO 0.06 0.27 0.66 0.00 -4.06 0.00 0.00 176.95 173.87 2kq2 s ALA 23 N 0.39 -1.69 0.15 2.67 0.00 -1.26 -1.52 121.76 120.50 2kq2 s ALA 23 Ca 0.15 2.04 -0.24 0.00 0.00 0.00 0.00 51.96 53.91 2kq2 s ALA 23 Cb -0.13 -1.19 0.06 0.00 0.00 0.00 0.00 23.12 21.87 2kq2 s ALA 23 CO 0.03 -0.33 0.73 1.52 0.00 0.00 0.00 175.76 177.70 2kq2 s TYR 24 N 0.83 -0.38 -0.04 0.00 1.13 -1.18 -4.85 117.35 112.87 2kq2 s TYR 24 Ca -0.04 0.12 0.01 0.00 -1.41 0.00 0.00 57.07 55.74 2kq2 s TYR 24 Cb -0.05 0.60 0.02 0.00 -1.10 0.00 0.00 41.96 41.43 2kq2 s TYR 24 CO -0.07 -0.87 -0.02 0.00 -2.51 0.00 0.00 175.55 172.09 2kq2 s ALA 25 N -3.61 0.47 -0.53 9.51 0.00 -1.26 -3.18 121.76 123.17 2kq2 s ALA 25 Ca 0.05 0.07 -0.23 0.00 0.00 0.00 0.00 51.96 51.85 2kq2 s ALA 25 Cb -0.02 -0.38 0.04 0.00 0.00 0.00 0.00 23.12 22.76 2kq2 s ALA 25 CO -0.06 -0.07 0.86 -0.06 0.00 0.00 0.00 175.76 176.43 2kq2 s PHE 26 N 1.03 2.86 -0.16 0.00 0.08 0.38 -4.35 117.98 117.83 2kq2 s PHE 26 Ca -0.10 -0.10 -0.03 0.00 0.12 0.00 0.00 56.93 56.83 2kq2 s PHE 26 Cb -0.14 -3.93 -0.02 0.00 -0.57 0.00 0.00 43.02 38.37 2kq2 s PHE 26 CO -0.01 -1.25 -0.07 0.54 -0.10 0.00 0.00 175.22 174.33 2kq2 s VAL 27 N 3.62 3.53 -0.17 -0.44 0.11 -1.26 0.07 120.40 125.87 2kq2 s VAL 27 Ca 0.27 -0.48 0.01 0.00 -2.93 0.00 0.00 61.98 58.85 2kq2 s VAL 27 Cb -0.14 -2.54 0.02 0.00 -1.53 0.00 0.00 36.38 32.19 2kq2 s VAL 27 CO 0.18 0.49 -0.18 -1.59 -3.33 0.00 0.00 175.10 170.67 2kq2 s LYS 28 N 0.56 2.77 -1.69 1.54 -2.85 0.15 -3.37 119.74 116.85 2kq2 s LYS 28 Ca -0.05 -0.75 0.00 0.00 -1.00 0.00 0.00 55.97 54.18 2kq2 s LYS 28 Cb -0.15 -2.41 0.00 0.00 -2.06 0.00 0.00 37.83 33.21 2kq2 s LYS 28 CO 0.03 -0.20 0.00 -0.25 0.10 0.00 0.00 175.35 175.03 2kq2 n ASP 29 N 4.61 -5.25 0.00 0.03 9.92 -1.26 -0.07 116.55 124.52 2kq2 n ASP 29 Ca -0.20 0.39 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 2kq2 n ASP 29 Cb 0.50 -4.15 0.00 0.00 -0.64 0.00 0.00 41.12 36.83 2kq2 n ASP 29 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kq2 n GLY 30 N -0.57 0.59 3.72 0.44 0.00 -1.26 -4.59 105.19 103.52 2kq2 n GLY 30 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.86 3.69 -0.20 1.61 -0.14 0.89 -5.07 119.74 119.66 2kq2 s LYS 31 Ca 0.00 -0.28 -0.29 0.00 -1.36 0.00 0.00 55.97 54.04 2kq2 s LYS 31 Cb 0.00 -3.16 0.00 0.00 -1.68 0.00 0.00 37.83 32.99 2kq2 s LYS 31 CO 0.00 0.49 1.04 0.54 -0.76 0.00 0.00 175.35 176.66 2kq2 s VAL 32 N -0.24 4.70 -0.22 3.17 0.11 -1.26 0.30 120.40 126.95 2kq2 s VAL 32 Ca 0.09 2.02 0.08 0.00 -2.93 0.00 0.00 61.98 61.24 2kq2 s VAL 32 Cb -0.12 -4.30 -0.19 0.00 -1.53 0.00 0.00 36.38 30.24 2kq2 s VAL 32 CO 0.01 -0.13 -0.10 1.57 -3.33 0.00 0.00 175.10 173.12 2kq2 n HIS 33 N 5.99 0.00 -3.70 1.54 -0.00 0.11 -4.96 115.22 114.19 2kq2 n HIS 33 Ca 0.11 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.15 2kq2 n HIS 33 Cb 0.47 -0.92 -0.08 0.00 -0.12 0.00 0.00 29.99 29.33 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 -2.47 -0.37 -0.02 1.57 2.02 -1.15 -4.98 117.35 111.94 2kq2 s TYR 34 Ca -0.23 0.73 -0.30 0.00 -0.37 0.00 0.00 57.07 56.90 2kq2 s TYR 34 Cb 0.07 0.18 0.07 0.00 -0.40 0.00 0.00 41.96 41.88 2kq2 s TYR 34 CO 0.64 -0.38 0.69 -1.83 -1.57 0.00 0.00 175.55 173.11 2kq2 s GLU 35 N -0.80 1.06 -0.03 -0.62 4.04 -1.26 -0.47 118.70 120.62 2kq2 s GLU 35 Ca -0.09 0.13 -0.31 0.00 0.04 0.00 0.00 54.97 54.74 2kq2 s GLU 35 Cb -0.04 0.50 0.12 0.00 0.02 0.00 0.00 34.13 34.73 2kq2 s GLU 35 CO 0.04 -0.36 1.27 0.34 -1.84 0.00 0.00 175.26 174.71 2kq2 s ASP 36 N -1.45 -0.07 -0.15 0.83 2.15 -1.19 -5.04 116.67 111.75 2kq2 s ASP 36 Ca -0.08 -0.13 -0.14 0.00 0.43 0.00 0.00 52.55 52.63 2kq2 s ASP 36 Cb -0.00 0.17 0.04 0.00 -0.30 0.00 0.00 42.92 42.83 2kq2 s ASP 36 CO 0.05 -0.32 0.40 0.00 -0.17 0.00 0.00 175.17 175.14 2kq2 s ALA 37 N -2.46 -0.98 0.27 3.66 0.00 -1.26 -3.10 121.76 117.89 2kq2 s ALA 37 Ca 0.14 1.12 -0.15 0.00 0.00 0.00 0.00 51.96 53.07 2kq2 s ALA 37 Cb 0.04 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.51 2kq2 s ALA 37 CO -0.04 -0.19 0.56 0.34 0.00 0.00 0.00 175.76 176.44 2kq2 s ASP 38 N 0.22 -0.08 0.59 0.00 -1.08 -0.58 -5.00 116.67 110.74 2kq2 s ASP 38 Ca -0.00 -0.88 0.00 0.00 -0.52 0.00 0.00 52.55 51.15 2kq2 s ASP 38 Cb -0.03 0.65 0.09 0.00 -1.46 0.00 0.00 42.92 42.17 2kq2 s ASP 38 CO 0.00 -1.24 0.63 1.33 0.52 0.00 0.00 175.17 176.42 2kq2 n VAL 39 N -0.42 0.00 -1.87 1.11 0.24 -1.26 -1.04 118.33 115.09 2kq2 n VAL 39 Ca -0.02 -1.03 -0.34 0.00 -2.04 0.00 0.00 64.34 60.91 2kq2 n VAL 39 Cb 0.61 -1.04 -0.04 0.00 -1.47 0.00 0.00 33.84 31.91 2kq2 n VAL 39 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kq2 s GLY 40 N -4.10 -0.08 0.92 7.63 0.00 -1.26 -4.65 107.32 105.78 2kq2 s GLY 40 Ca 0.42 -0.61 -0.12 0.00 0.00 0.00 0.00 44.72 44.41 2kq2 s GLY 40 CO 0.28 3.71 1.26 0.54 0.00 0.00 0.00 173.10 178.89 2kq2 s LYS 41 N 7.55 0.68 0.18 2.90 1.02 -1.26 -5.05 119.74 125.75 2kq2 s LYS 41 Ca 0.78 -0.74 -0.19 0.00 0.02 0.00 0.00 55.97 55.84 2kq2 s LYS 41 Cb -0.13 -1.97 -0.08 0.00 -0.52 0.00 0.00 37.83 35.13 2kq2 s LYS 41 CO 0.18 -2.30 0.67 -0.80 -0.92 0.00 0.00 175.35 172.17 2kq2 s ASN 42 N -4.92 7.03 0.28 2.83 -0.87 -1.26 -4.94 114.94 113.09 2kq2 s ASN 42 Ca 0.74 1.34 -0.00 0.00 -1.57 0.00 0.00 52.86 53.36 2kq2 s ASN 42 Cb -0.03 -2.39 0.49 0.00 -0.02 0.00 0.00 41.25 39.30 2kq2 s ASN 42 CO 0.51 0.09 1.86 -0.65 -2.57 0.00 0.00 177.10 176.35 2kq2 h PRO 43 N 3.67 1.05 0.00 -0.60 0.11 -1.98 0.34 132.00 134.59 2kq2 h PRO 43 Ca -0.48 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2kq2 h PRO 43 Cb 1.20 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2kq2 h PRO 43 CO 0.65 0.70 0.00 0.00 -0.21 0.00 0.00 178.00 179.14 2kq2 h ALA 44 N 1.50 1.00 0.01 -0.75 0.00 -2.01 -1.44 119.26 117.57 2kq2 h ALA 44 Ca 0.47 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.99 2kq2 h ALA 44 Cb 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 2kq2 h ALA 44 CO -0.22 0.00 -2.43 0.00 0.00 0.00 0.00 179.25 176.61 2kq2 n ALA 45 N -1.91 1.40 0.22 0.00 0.00 -0.35 -4.43 120.51 115.44 2kq2 n ALA 45 Ca -0.00 -1.08 0.08 0.00 0.00 0.00 0.00 53.44 52.44 2kq2 n ALA 45 Cb 0.18 -0.16 0.53 0.00 0.00 0.00 0.00 19.45 19.99 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 0.08 1.28 0.00 0.00 0.00 -0.68 -2.80 119.26 117.14 2kq2 h ALA 46 Ca -0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 2kq2 h ALA 46 Cb 1.94 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 2kq2 h ALA 46 CO -0.06 0.30 -0.05 1.79 0.00 0.00 0.00 179.25 181.22 2kq2 h THR 47 N 0.00 0.54 -0.67 0.00 1.35 -1.48 -2.79 112.91 109.85 2kq2 h THR 47 Ca -0.00 -0.23 -0.38 0.00 -0.55 0.00 0.00 66.41 65.25 2kq2 h THR 47 Cb 0.54 1.15 -0.14 0.00 -1.73 0.00 0.00 68.15 67.97 2kq2 h THR 47 CO 0.03 0.05 0.22 0.80 -0.25 0.00 0.00 175.52 176.37 2kq2 n MET 48 N -3.76 2.13 -3.56 4.72 0.00 -1.06 -4.74 117.12 110.86 2kq2 n MET 48 Ca -0.02 -1.80 -0.19 0.00 0.00 0.00 0.00 57.70 55.69 2kq2 n MET 48 Cb 0.15 -1.95 0.06 0.00 0.00 0.00 0.00 33.22 31.48 2kq2 n MET 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2kq2 n ARG 49 N 1.14 -5.62 0.00 2.12 0.63 -1.15 -4.97 116.66 108.81 2kq2 n ARG 49 Ca 0.41 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 58.08 2kq2 n ARG 49 Cb 0.63 -5.51 0.00 0.00 0.45 0.00 0.00 32.46 28.03 2kq2 n ARG 49 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2kq2 n ASN 50 N -3.09 0.00 0.16 6.15 2.85 -1.06 -3.08 115.26 117.18 2kq2 n ASN 50 Ca -0.29 0.07 0.02 0.00 -0.11 0.00 0.00 54.58 54.27 2kq2 n ASN 50 Cb 0.67 -0.10 0.35 0.00 1.24 0.00 0.00 39.78 41.94 2kq2 n ASN 50 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2kq2 h VAL 51 N 0.00 1.25 0.00 3.44 2.07 -1.94 -1.31 116.25 119.76 2kq2 h VAL 51 Ca 0.00 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.34 2kq2 h VAL 51 Cb 0.00 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2kq2 h VAL 51 CO 0.00 0.35 0.00 0.00 0.02 0.00 0.00 177.57 177.94 2kq2 h ALA 52 N 1.59 1.00 0.42 1.67 0.00 -1.85 -3.34 119.26 118.76 2kq2 h ALA 52 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2kq2 h ALA 52 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2kq2 h ALA 52 CO 0.04 0.00 -0.20 0.78 0.00 0.00 0.00 179.25 179.87 2kq2 h GLY 53 N 2.61 -0.59 0.88 0.00 0.00 -1.16 0.75 103.07 105.56 2kq2 h GLY 53 Ca 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 2kq2 h GLY 53 CO 0.00 -0.21 0.07 0.83 0.00 0.00 0.00 176.54 177.22 2kq2 h GLU 54 N -0.60 0.33 -0.25 4.80 3.07 -1.73 -2.18 114.58 118.01 2kq2 h GLU 54 Ca -0.06 -0.07 -0.11 0.00 -0.50 0.00 0.00 59.36 58.63 2kq2 h GLU 54 Cb 0.45 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2kq2 h GLU 54 CO 0.09 0.42 -0.29 -0.84 -1.40 0.00 0.00 179.01 176.99 2kq2 h ILE 55 N 0.18 1.28 -0.25 3.13 3.07 -1.70 -0.40 117.51 122.81 2kq2 h ILE 55 Ca 0.07 -1.36 -0.11 0.00 1.55 0.00 0.00 64.86 65.01 2kq2 h ILE 55 Cb 0.23 1.40 -0.01 0.00 -0.27 0.00 0.00 36.82 38.16 2kq2 h ILE 55 CO -0.00 0.43 -0.33 0.00 -1.05 0.00 0.00 178.15 177.20 2kq2 h ALA 56 N 1.24 0.97 -0.32 0.16 0.00 -0.77 0.15 119.26 120.70 2kq2 h ALA 56 Ca 0.06 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.41 2kq2 h ALA 56 Cb 0.74 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2kq2 h ALA 56 CO 0.06 0.61 -0.46 0.00 0.00 0.00 0.00 179.25 179.46 2kq2 h ALA 57 N 1.20 0.57 0.00 0.00 0.00 -1.06 -3.01 119.26 116.97 2kq2 h ALA 57 Ca 0.05 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 2kq2 h ALA 57 Cb 0.79 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2kq2 h ALA 57 CO 0.06 0.68 -0.34 0.00 0.00 0.00 0.00 179.25 179.65 2kq2 h ALA 58 N 0.79 1.01 -0.65 0.00 0.00 -0.82 -3.08 119.26 116.52 2kq2 h ALA 58 Ca 0.04 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.69 2kq2 h ALA 58 Cb 1.05 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2kq2 h ALA 58 CO 0.10 0.43 0.43 1.25 0.00 0.00 0.00 179.25 181.46 2kq2 h LEU 59 N 0.00 0.62 -0.74 0.00 5.85 -0.55 0.88 115.31 121.37 2kq2 h LEU 59 Ca -0.00 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 2kq2 h LEU 59 Cb 0.86 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 2kq2 h LEU 59 CO 0.04 0.42 -0.56 0.22 -0.34 0.00 0.00 178.44 178.22 2kq2 h TYR 60 N 0.72 0.25 -0.12 1.25 3.20 -1.61 -1.08 116.97 119.58 2kq2 h TYR 60 Ca 0.27 -0.09 -0.14 0.00 3.14 0.00 0.00 58.73 61.91 2kq2 h TYR 60 Cb 0.17 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2kq2 h TYR 60 CO -0.00 0.72 -0.53 0.00 -1.64 0.00 0.00 178.16 176.70 2kq2 h ALA 61 N 1.27 0.86 -0.37 1.82 0.00 -1.18 -0.51 119.26 121.14 2kq2 h ALA 61 Ca -0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2kq2 h ALA 61 Cb 1.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2kq2 h ALA 61 CO 0.08 0.68 0.21 0.28 0.00 0.00 0.00 179.25 180.51 2kq2 h VAL 62 N 0.28 1.14 -0.80 0.00 2.07 -0.49 0.27 116.25 118.71 2kq2 h VAL 62 Ca 0.01 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2kq2 h VAL 62 Cb 1.03 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 2kq2 h VAL 62 CO 0.09 0.14 0.51 0.11 0.02 0.00 0.00 177.57 178.44 2kq2 h LYS 63 N 0.48 1.08 -0.28 1.57 1.57 -0.97 -2.19 116.57 117.83 2kq2 h LYS 63 Ca 0.13 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 2kq2 h LYS 63 Cb 0.04 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 2kq2 h LYS 63 CO -0.02 0.74 -0.20 0.87 -0.57 0.00 0.00 179.45 180.26 2kq2 h LYS 64 N 1.10 0.51 -0.27 3.15 1.79 -0.71 -2.68 116.57 119.47 2kq2 h LYS 64 Ca 0.29 -0.18 -0.03 0.00 -2.18 0.00 0.00 60.65 58.55 2kq2 h LYS 64 Cb -0.08 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 2kq2 h LYS 64 CO -0.06 0.69 0.03 0.00 -1.08 0.00 0.00 179.45 179.03 2kq2 h ALA 65 N 1.33 1.56 -0.16 3.86 0.00 0.11 -1.30 119.26 124.66 2kq2 h ALA 65 Ca 0.07 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2kq2 h ALA 65 Cb 0.61 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2kq2 h ALA 65 CO 0.04 0.33 -0.27 1.03 0.00 0.00 0.00 179.25 180.38 2kq2 h SER 66 N 0.38 0.29 0.30 0.00 0.87 -1.09 0.11 113.55 114.42 2kq2 h SER 66 Ca 0.09 -0.09 -0.12 0.00 -1.23 0.00 0.00 61.79 60.43 2kq2 h SER 66 Cb 0.21 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2kq2 h SER 66 CO 0.00 0.57 -0.50 1.56 -0.53 0.00 0.00 176.83 177.93 2kq2 h GLN 67 N 0.26 0.23 0.00 2.24 4.20 -1.15 -2.74 115.11 118.15 2kq2 h GLN 67 Ca 0.04 -0.13 -0.12 0.00 0.06 0.00 0.00 58.65 58.50 2kq2 h GLN 67 Cb 0.63 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 2kq2 h GLN 67 CO 0.05 0.67 -0.77 -0.07 -0.67 0.00 0.00 178.83 178.04 2kq2 h LEU 68 N 0.18 0.00 -0.26 1.46 4.07 -1.05 -3.48 115.31 116.23 2kq2 h LEU 68 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2kq2 h LEU 68 Cb 0.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.68 2kq2 h LEU 68 CO 0.08 0.52 0.00 0.61 -1.08 0.00 0.00 178.44 178.57 2kq2 n GLY 69 N 1.27 1.05 3.48 0.83 0.00 0.26 -5.09 105.19 106.99 2kq2 n GLY 69 Ca -0.01 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.26 2.29 0.30 1.61 -7.23 -0.42 -5.02 120.40 109.67 2kq2 s VAL 70 Ca 0.00 -2.31 0.10 0.00 -1.81 0.00 0.00 61.98 57.96 2kq2 s VAL 70 Cb 0.00 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 2kq2 s VAL 70 CO 0.00 -0.35 -0.06 -1.59 -0.31 0.00 0.00 175.10 172.78 2kq2 s LYS 71 N -3.57 2.02 0.37 4.82 -2.85 -1.26 -4.30 119.74 114.98 2kq2 s LYS 71 Ca 0.30 -1.65 0.04 0.00 -1.00 0.00 0.00 55.97 53.65 2kq2 s LYS 71 Cb -0.02 -1.95 -0.03 0.00 -2.06 0.00 0.00 37.83 33.77 2kq2 s LYS 71 CO 0.14 0.27 0.13 0.96 0.10 0.00 0.00 175.35 176.96 2kq2 s ILE 72 N -2.46 0.59 -0.13 3.79 -4.36 0.21 -2.25 121.20 116.59 2kq2 s ILE 72 Ca 0.32 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.64 2kq2 s ILE 72 Cb -0.04 -2.45 -0.04 0.00 1.25 0.00 0.00 42.46 41.18 2kq2 s ILE 72 CO 0.18 0.00 0.12 -0.13 0.24 0.00 0.00 174.94 175.35 2kq2 s ARG 73 N -3.75 3.55 -0.20 0.37 0.52 -1.23 -1.66 118.95 116.56 2kq2 s ARG 73 Ca 0.29 -0.18 -0.06 0.00 -0.52 0.00 0.00 55.73 55.26 2kq2 s ARG 73 Cb 0.04 -3.19 -0.03 0.00 0.52 0.00 0.00 34.95 32.29 2kq2 s ARG 73 CO 0.16 0.67 0.02 -1.50 0.02 0.00 0.00 175.30 174.67 2kq2 s ILE 74 N -0.72 4.19 0.00 1.52 -1.16 -1.14 -4.48 121.20 119.42 2kq2 s ILE 74 Ca 0.13 -0.23 0.00 0.00 -0.51 0.00 0.00 60.65 60.04 2kq2 s ILE 74 Cb -0.12 -2.90 0.00 0.00 0.61 0.00 0.00 42.46 40.06 2kq2 s ILE 74 CO 0.03 0.43 0.00 0.18 -2.81 0.00 0.00 174.94 172.77 2kq2 n LEU 75 N 4.08 1.21 -3.32 8.50 7.99 -1.26 -4.62 117.00 129.58 2kq2 n LEU 75 Ca -0.17 0.21 -0.11 0.00 -0.01 0.00 0.00 56.01 55.94 2kq2 n LEU 75 Cb 0.52 -0.26 -0.06 0.00 -0.11 0.00 0.00 43.42 43.51 2kq2 n LEU 75 CO 0.32 -0.26 -0.09 -1.00 -1.51 0.00 0.00 177.39 174.86 2kq2 s HIS 76 N -0.51 -0.83 -0.03 -1.77 3.76 -1.26 -5.01 115.29 109.64 2kq2 s HIS 76 Ca 0.00 -0.06 -0.01 0.00 -0.15 0.00 0.00 55.06 54.83 2kq2 s HIS 76 Cb 0.00 -0.21 0.02 0.00 1.11 0.00 0.00 32.58 33.50 2kq2 s HIS 76 CO 0.00 -1.00 0.06 0.34 -0.85 0.00 0.00 174.74 173.29 2kq2 s ASP 77 N 2.13 -0.01 0.00 1.40 2.15 -1.26 -4.99 116.67 116.09 2kq2 s ASP 77 Ca 0.12 0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.21 2kq2 s ASP 77 Cb -0.12 0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.54 2kq2 s ASP 77 CO -0.20 -0.09 0.64 -1.22 -0.17 0.00 0.00 175.17 174.12 2kq2 n TYR 78 N 3.77 0.00 -0.10 -5.34 4.01 -1.26 -4.74 117.16 113.50 2kq2 n TYR 78 Ca -0.22 -0.18 -0.17 0.00 -0.16 0.00 0.00 57.90 57.17 2kq2 n TYR 78 Cb 0.54 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.49 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 -0.18 0.86 -0.05 -0.72 0.00 -1.26 -4.27 120.51 114.89 2kq2 n ALA 79 Ca 0.00 -0.75 -0.13 0.00 0.00 0.00 0.00 53.44 52.55 2kq2 n ALA 79 Cb 0.34 -0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.00 0.39 2.00 0.00 0.00 -1.94 0.08 103.07 102.60 2kq2 h GLY 80 Ca -0.27 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 2kq2 h GLY 80 CO -0.17 0.39 -0.00 0.16 0.00 0.00 0.00 176.54 176.92 2kq2 h ILE 81 N -0.04 0.04 0.00 2.60 3.07 -1.85 -0.66 117.51 120.67 2kq2 h ILE 81 Ca 0.01 -0.09 -0.23 0.00 1.55 0.00 0.00 64.86 66.10 2kq2 h ILE 81 Cb 0.74 1.09 -0.04 0.00 -0.27 0.00 0.00 36.82 38.34 2kq2 h ILE 81 CO 0.04 0.00 -1.80 0.00 -1.05 0.00 0.00 178.15 175.35 2kq2 n ALA 82 N -2.10 1.80 -0.14 0.16 0.00 -1.08 -4.39 120.51 114.76 2kq2 n ALA 82 Ca -0.02 -0.80 -0.11 0.00 0.00 0.00 0.00 53.44 52.50 2kq2 n ALA 82 Cb 0.11 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 18.84 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 0.93 0.00 0.00 3.57 0.62 -1.14 116.94 120.92 2kq2 h PHE 83 Ca -0.28 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.01 2kq2 h PHE 83 Cb 1.80 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.32 2kq2 h PHE 83 CO 0.00 0.95 0.00 -2.67 -2.23 0.00 0.00 178.31 174.36 2kq2 n TRP 84 N -4.28 0.22 -0.08 0.41 2.14 -1.08 -1.51 117.44 113.26 2kq2 n TRP 84 Ca -0.01 0.08 -0.22 0.00 2.07 0.00 0.00 57.50 59.42 2kq2 n TRP 84 Cb 0.39 -0.63 -0.12 0.00 -0.81 0.00 0.00 31.31 30.14 2kq2 n TRP 84 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2kq2 n ALA 85 N -1.57 0.81 -1.25 -1.67 0.00 -0.91 -4.15 120.51 111.78 2kq2 n ALA 85 Ca 0.04 -0.52 -0.31 0.00 0.00 0.00 0.00 53.44 52.65 2kq2 n ALA 85 Cb 0.25 -0.58 0.08 0.00 0.00 0.00 0.00 19.45 19.20 2kq2 n ALA 85 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kq2 n THR 86 N -4.22 3.47 0.08 0.00 5.66 -0.48 -4.61 114.28 114.19 2kq2 n THR 86 Ca -0.33 -2.65 0.01 0.00 -3.05 0.00 0.00 64.05 58.03 2kq2 n THR 86 Cb 0.77 -1.12 0.04 0.00 -1.55 0.00 0.00 70.33 68.47 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 -0.77 -0.06 0.08 1.09 0.00 -0.57 -2.21 105.19 102.75 2kq2 n GLY 87 Ca 0.58 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.58 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 -0.08 0.00 1.61 4.39 -1.85 -3.50 114.58 115.14 2kq2 h GLU 88 Ca 0.00 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 2kq2 h GLU 88 Cb 0.00 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 2kq2 h GLU 88 CO 0.00 -0.06 0.13 0.91 -1.16 0.00 0.00 179.01 178.83 2kq2 n TRP 89 N -4.51 -1.79 -1.70 4.33 8.01 -0.94 -5.13 117.44 115.71 2kq2 n TRP 89 Ca -0.01 -1.39 -0.44 0.00 -1.31 0.00 0.00 57.50 54.35 2kq2 n TRP 89 Cb 0.03 0.60 -0.03 0.00 -2.01 0.00 0.00 31.31 29.90 2kq2 n TRP 89 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 2kq2 n LYS 90 N -0.38 2.36 -1.86 -0.99 4.81 -1.26 -4.82 118.16 116.02 2kq2 n LYS 90 Ca -0.05 0.85 -0.27 0.00 -0.87 0.00 0.00 58.31 57.97 2kq2 n LYS 90 Cb 0.42 -2.60 -0.05 0.00 0.02 0.00 0.00 35.03 32.82 2kq2 n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kq2 s ALA 91 N 0.50 1.51 0.08 3.14 0.00 -1.26 -4.95 121.76 120.79 2kq2 s ALA 91 Ca 0.72 -0.94 -0.14 0.00 0.00 0.00 0.00 51.96 51.59 2kq2 s ALA 91 Cb -0.60 -4.48 -0.06 0.00 0.00 0.00 0.00 23.12 17.98 2kq2 s ALA 91 CO 0.42 -4.86 0.48 0.15 0.00 0.00 0.00 175.76 171.95 2kq2 s LYS 92 N 7.67 3.95 3.34 0.00 1.02 -1.26 -4.89 119.74 129.56 2kq2 s LYS 92 Ca 0.79 0.44 0.00 0.00 0.02 0.00 0.00 55.97 57.22 2kq2 s LYS 92 Cb -0.11 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.13 2kq2 s LYS 92 CO 0.10 0.58 0.00 0.09 -0.92 0.00 0.00 175.35 175.19 2kq2 n ASN 93 N 1.23 -1.74 -0.01 2.83 4.13 -1.26 -3.84 115.26 116.60 2kq2 n ASN 93 Ca -0.09 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.25 2kq2 n ASN 93 Cb 0.52 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.64 2kq2 n ASN 93 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2kq2 n GLU 94 N 0.00 0.87 0.05 3.52 1.02 -1.26 -4.22 120.64 120.61 2kq2 n GLU 94 Ca 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 2kq2 n GLU 94 Cb 0.00 -1.35 0.31 0.00 -0.02 0.00 0.00 31.44 30.38 2kq2 n GLU 94 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2kq2 h PHE 95 N 0.00 0.43 0.02 -0.32 -0.00 -2.00 0.29 116.94 115.37 2kq2 h PHE 95 Ca 0.00 -0.05 -0.00 0.00 -0.00 0.00 0.00 57.97 57.92 2kq2 h PHE 95 Cb 0.64 -0.12 0.00 0.00 -0.00 0.00 0.00 35.95 36.47 2kq2 h PHE 95 CO 0.00 0.50 -0.01 1.79 -0.00 0.00 0.00 178.31 180.59 2kq2 h THR 96 N 0.39 1.41 -0.97 0.88 1.35 -1.78 -3.02 112.91 111.16 2kq2 h THR 96 Ca 0.08 -1.35 0.15 0.00 -0.55 0.00 0.00 66.41 64.74 2kq2 h THR 96 Cb 0.40 2.31 -0.09 0.00 -1.73 0.00 0.00 68.15 69.03 2kq2 h THR 96 CO 0.02 0.34 0.59 1.56 -0.25 0.00 0.00 175.52 177.78 2kq2 h GLN 97 N -0.61 0.82 -0.14 4.72 1.08 -1.64 0.13 115.11 119.47 2kq2 h GLN 97 Ca -0.00 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.08 2kq2 h GLN 97 Cb 0.58 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 2kq2 h GLN 97 CO 0.00 0.54 -0.23 0.00 -0.95 0.00 0.00 178.83 178.19 2kq2 h ALA 98 N 1.58 1.35 0.02 3.87 0.00 -0.47 -2.52 119.26 123.09 2kq2 h ALA 98 Ca 0.52 -0.28 -0.22 0.00 0.00 0.00 0.00 54.91 54.92 2kq2 h ALA 98 Cb 0.66 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2kq2 h ALA 98 CO -0.32 0.44 -1.04 -0.92 0.00 0.00 0.00 179.25 177.41 2kq2 h TYR 99 N 0.22 0.08 -0.05 0.00 3.20 -0.99 -3.31 116.97 116.12 2kq2 h TYR 99 Ca 0.04 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 2kq2 h TYR 99 Cb 0.54 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 2kq2 h TYR 99 CO 0.01 1.04 -0.10 0.00 -1.64 0.00 0.00 178.16 177.47 2kq2 h ALA 100 N 0.94 1.75 0.00 1.82 0.00 -0.38 -1.76 119.26 121.63 2kq2 h ALA 100 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2kq2 h ALA 100 Cb 1.80 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2kq2 h ALA 100 CO 0.14 0.19 0.00 0.36 0.00 0.00 0.00 179.25 179.94 2kq2 n LYS 101 N -4.38 0.19 -0.10 0.00 2.85 -1.16 -2.43 118.16 113.14 2kq2 n LYS 101 Ca -0.02 0.43 -0.10 0.00 -1.05 0.00 0.00 58.31 57.57 2kq2 n LYS 101 Cb 0.20 -1.87 -0.03 0.00 -0.65 0.00 0.00 35.03 32.68 2kq2 n LYS 101 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2kq2 h LEU 102 N 0.00 0.42 -1.03 -5.58 6.46 -1.52 -0.93 115.31 113.13 2kq2 h LEU 102 Ca 0.00 -0.18 -0.09 0.00 -0.12 0.00 0.00 57.88 57.49 2kq2 h LEU 102 Cb 0.35 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 2kq2 h LEU 102 CO 0.00 0.48 -0.44 0.24 -0.62 0.00 0.00 178.44 178.10 2kq2 h MET 103 N 0.33 0.00 -0.16 1.25 2.86 -1.64 -0.01 114.93 117.56 2kq2 h MET 103 Ca 0.10 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.66 2kq2 h MET 103 Cb 0.20 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2kq2 h MET 103 CO -0.01 0.44 -0.25 -0.97 1.06 0.00 0.00 176.91 177.18 2kq2 h ASN 104 N 0.00 0.29 0.27 1.22 -0.73 -1.26 0.17 115.58 115.54 2kq2 h ASN 104 Ca -0.00 -0.09 -0.34 0.00 1.87 0.00 0.00 56.30 57.74 2kq2 h ASN 104 Cb 0.86 -0.08 0.02 0.00 0.27 0.00 0.00 38.32 39.40 2kq2 h ASN 104 CO 0.06 0.54 -1.56 1.56 -0.37 0.00 0.00 177.43 177.66 2kq2 h GLN 105 N 0.26 0.46 0.00 6.67 1.08 -0.87 -3.34 115.11 119.37 2kq2 h GLN 105 Ca 0.04 -0.79 -0.01 0.00 -1.45 0.00 0.00 58.65 56.44 2kq2 h GLN 105 Cb 0.58 0.29 -0.00 0.00 -0.05 0.00 0.00 27.48 28.31 2kq2 h GLN 105 CO 0.04 1.37 -0.04 -0.92 -0.95 0.00 0.00 178.83 178.33 2kq2 h TYR 106 N 0.13 0.00 -3.90 2.96 3.20 -0.73 -3.44 116.97 115.18 2kq2 h TYR 106 Ca -0.28 0.00 -0.52 0.00 3.14 0.00 0.00 58.73 61.07 2kq2 h TYR 106 Cb 2.13 0.00 0.06 0.00 1.54 0.00 0.00 36.73 40.47 2kq2 h TYR 106 CO 0.11 0.04 0.60 -0.98 -1.64 0.00 0.00 178.16 176.29 2kq2 s ARG 107 N -3.69 4.21 0.00 1.82 1.04 0.58 -4.91 118.95 118.01 2kq2 s ARG 107 Ca 0.01 2.11 0.05 0.00 -1.04 0.00 0.00 55.73 56.86 2kq2 s ARG 107 Cb 0.09 -2.93 0.08 0.00 -2.04 0.00 0.00 34.95 30.16 2kq2 s ARG 107 CO 0.56 -0.27 0.90 0.41 -0.04 0.00 0.00 175.30 176.86 2kq2 n GLY 108 N 0.76 0.73 0.07 3.88 0.00 -1.26 -4.91 105.19 104.46 2kq2 n GLY 108 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2kq2 n GLY 108 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kq2 n ILE 109 N 0.10 0.90 -4.39 -0.61 5.41 -1.26 -4.66 119.36 114.85 2kq2 n ILE 109 Ca -0.02 -0.69 -0.21 0.00 1.00 0.00 0.00 62.75 62.83 2kq2 n ILE 109 Cb 0.73 -0.43 -0.13 0.00 -0.71 0.00 0.00 39.64 39.10 2kq2 n ILE 109 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 2kq2 s TYR 110 N -2.96 1.34 -0.10 1.39 -0.85 -1.26 0.67 117.35 115.57 2kq2 s TYR 110 Ca -0.07 -0.36 0.03 0.00 -0.52 0.00 0.00 57.07 56.15 2kq2 s TYR 110 Cb 0.09 -0.79 -0.01 0.00 0.38 0.00 0.00 41.96 41.63 2kq2 s TYR 110 CO 0.84 0.05 -0.20 -1.12 -1.52 0.00 0.00 175.55 173.61 2kq2 s SER 111 N -1.19 3.47 -0.11 -0.18 0.01 -0.66 -4.93 113.70 110.11 2kq2 s SER 111 Ca 0.03 -0.45 -0.02 0.00 1.31 0.00 0.00 55.95 56.82 2kq2 s SER 111 Cb -0.08 -1.37 -0.03 0.00 0.21 0.00 0.00 66.02 64.75 2kq2 s SER 111 CO 0.01 0.19 -0.04 0.12 0.41 0.00 0.00 173.24 173.93 2kq2 s PHE 112 N 0.21 3.02 -0.14 2.43 5.36 -1.26 -2.87 117.98 124.73 2kq2 s PHE 112 Ca -0.12 -0.09 -0.05 0.00 -0.96 0.00 0.00 56.93 55.70 2kq2 s PHE 112 Cb -0.16 -1.84 0.06 0.00 -0.34 0.00 0.00 43.02 40.74 2kq2 s PHE 112 CO 0.07 0.19 0.29 -1.21 -1.46 0.00 0.00 175.22 173.10 2kq2 s GLU 113 N -0.28 0.20 -1.29 10.12 2.02 -1.26 -5.07 118.70 123.14 2kq2 s GLU 113 Ca 0.05 0.76 -0.18 0.00 0.02 0.00 0.00 54.97 55.61 2kq2 s GLU 113 Cb -0.13 0.01 0.04 0.00 0.10 0.00 0.00 34.13 34.15 2kq2 s GLU 113 CO 0.02 -0.25 1.81 1.17 0.02 0.00 0.00 175.26 178.04 2kq2 n LYS 114 N 5.10 2.93 -3.86 1.61 4.81 -1.26 -4.92 118.16 122.58 2kq2 n LYS 114 Ca -0.11 -3.09 -0.36 0.00 -0.87 0.00 0.00 58.31 53.89 2kq2 n LYS 114 Cb 0.51 -3.50 -0.12 0.00 0.02 0.00 0.00 35.03 31.93 2kq2 n LYS 114 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2kq2 s VAL 115 N 5.02 4.27 -0.20 3.15 0.11 -1.26 -5.07 120.40 126.42 2kq2 s VAL 115 Ca 0.55 -0.19 -0.29 0.00 -2.93 0.00 0.00 61.98 59.12 2kq2 s VAL 115 Cb 0.05 -2.97 0.00 0.00 -1.53 0.00 0.00 36.38 31.92 2kq2 s VAL 115 CO 0.07 0.37 1.13 -0.75 -3.33 0.00 0.00 175.10 172.59 2kq2 s LYS 116 N 1.34 4.25 -0.59 1.54 2.36 -1.26 -4.95 119.74 122.43 2kq2 s LYS 116 Ca 0.05 1.48 -0.27 0.00 -2.55 0.00 0.00 55.97 54.68 2kq2 s LYS 116 Cb -0.15 -3.69 -0.02 0.00 -1.05 0.00 0.00 37.83 32.93 2kq2 s LYS 116 CO 0.03 -0.65 1.84 0.00 1.55 0.00 0.00 175.35 178.11 2kq2 s ALA 117 N 3.28 2.24 -0.31 3.13 0.00 -1.26 -4.72 121.76 124.13 2kq2 s ALA 117 Ca 0.48 -0.59 0.09 0.00 0.00 0.00 0.00 51.96 51.94 2kq2 s ALA 117 Cb -0.18 -4.28 0.21 0.00 0.00 0.00 0.00 23.12 18.88 2kq2 s ALA 117 CO 0.10 -3.77 1.16 -2.39 0.00 0.00 0.00 175.76 170.85 2kq2 n HIS 118 N 12.46 0.26 0.14 0.00 1.44 -1.26 -4.66 115.22 123.60 2kq2 n HIS 118 Ca 0.20 -0.64 -0.01 0.00 -2.01 0.00 0.00 57.72 55.26 2kq2 n HIS 118 Cb 0.52 -0.10 0.17 0.00 0.12 0.00 0.00 29.99 30.70 2kq2 n HIS 118 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 2kq2 h SER 119 N 0.83 0.00 -4.60 4.39 0.02 -2.03 -3.47 113.55 108.69 2kq2 h SER 119 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 2kq2 h SER 119 Cb 0.79 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.44 2kq2 h SER 119 CO 0.03 0.61 -0.53 0.61 -1.14 0.00 0.00 176.83 176.41 2kq2 n GLY 120 N 0.30 -0.14 4.01 -3.77 0.00 -1.26 -5.03 105.19 99.30 2kq2 n GLY 120 Ca -0.01 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.58 4.86 0.13 1.61 2.47 -1.26 -4.83 114.94 114.34 2kq2 s ASN 121 Ca 0.23 -0.60 -0.32 0.00 0.42 0.00 0.00 52.86 52.59 2kq2 s ASN 121 Cb -0.10 0.06 -0.09 0.00 -1.45 0.00 0.00 41.25 39.66 2kq2 s ASN 121 CO 0.53 -1.49 1.55 -0.08 -3.72 0.00 0.00 177.10 173.90 2kq2 h GLU 122 N -0.06 -0.39 0.00 0.43 4.81 -1.99 0.61 114.58 117.99 2kq2 h GLU 122 Ca -0.34 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 2kq2 h GLU 122 Cb 1.28 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.75 2kq2 h GLU 122 CO 0.41 -0.26 -0.08 0.74 -0.73 0.00 0.00 179.01 179.10 2kq2 h PHE 123 N -0.40 0.00 0.01 0.92 -1.00 -1.95 0.10 116.94 114.62 2kq2 h PHE 123 Ca 0.08 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.86 2kq2 h PHE 123 Cb 0.60 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.16 2kq2 h PHE 123 CO -0.70 0.08 -0.00 -0.97 -1.61 0.00 0.00 178.31 175.10 2kq2 h ASN 124 N 0.00 -0.01 1.06 2.17 -0.00 -1.31 -2.78 115.58 114.71 2kq2 h ASN 124 Ca -0.00 -0.54 -0.11 0.00 -0.00 0.00 0.00 56.30 55.66 2kq2 h ASN 124 Cb 0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.48 2kq2 h ASN 124 CO 0.01 0.53 -0.51 0.44 -0.00 0.00 0.00 177.43 177.91 2kq2 h ASP 125 N -0.55 0.00 -0.13 1.15 3.32 -0.91 -3.20 116.42 116.10 2kq2 h ASP 125 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2kq2 h ASP 125 Cb 0.54 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 2kq2 h ASP 125 CO 0.00 0.51 0.06 0.22 -1.72 0.00 0.00 179.24 178.31 2kq2 h TYR 126 N 0.00 0.19 -0.10 4.55 3.20 -0.78 -1.42 116.97 122.61 2kq2 h TYR 126 Ca -0.01 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 2kq2 h TYR 126 Cb 1.17 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 2kq2 h TYR 126 CO 0.00 0.25 -0.21 -0.24 -1.64 0.00 0.00 178.16 176.32 2kq2 h VAL 127 N 0.07 1.20 0.06 1.81 3.04 -1.55 0.32 116.25 121.21 2kq2 h VAL 127 Ca 0.04 -0.94 -0.00 0.00 -1.01 0.00 0.00 66.70 64.79 2kq2 h VAL 127 Cb 0.14 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 2kq2 h VAL 127 CO -0.00 0.28 -0.03 -0.78 -1.01 0.00 0.00 177.57 176.03 2kq2 h ASP 128 N 0.15 -0.07 0.14 3.17 1.82 -1.48 -0.88 116.42 119.28 2kq2 h ASP 128 Ca 0.03 -0.06 -0.10 0.00 -0.39 0.00 0.00 57.03 56.51 2kq2 h ASP 128 Cb 0.47 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 2kq2 h ASP 128 CO 0.03 0.01 -0.36 -0.03 -1.61 0.00 0.00 179.24 177.28 2kq2 h MET 129 N -0.14 0.31 -0.13 0.28 4.05 -0.76 -1.17 114.93 117.37 2kq2 h MET 129 Ca -0.01 -0.14 -0.00 0.00 -0.28 0.00 0.00 59.70 59.27 2kq2 h MET 129 Cb 0.12 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 2kq2 h MET 129 CO 0.01 0.64 0.08 -0.22 0.23 0.00 0.00 176.91 177.65 2kq2 h LYS 130 N 0.27 0.18 -0.09 0.39 1.63 -0.07 -1.68 116.57 117.20 2kq2 h LYS 130 Ca 0.03 -0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.69 2kq2 h LYS 130 Cb 0.77 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.35 2kq2 h LYS 130 CO 0.06 0.18 -0.49 0.00 -3.45 0.00 0.00 179.45 175.74 2kq2 h ALA 131 N 1.00 1.00 -0.54 5.00 0.00 -1.05 -1.74 119.26 122.92 2kq2 h ALA 131 Ca 0.05 -0.47 0.06 0.00 0.00 0.00 0.00 54.91 54.55 2kq2 h ALA 131 Cb 0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2kq2 h ALA 131 CO -0.01 0.65 0.25 -0.22 0.00 0.00 0.00 179.25 179.92 2kq2 h LYS 132 N 0.18 0.46 -0.03 0.00 1.63 -0.77 -0.88 116.57 117.16 2kq2 h LYS 132 Ca 0.01 -0.03 -0.21 0.00 -0.85 0.00 0.00 60.65 59.57 2kq2 h LYS 132 Cb 0.94 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 2kq2 h LYS 132 CO 0.08 0.30 -0.87 1.03 -3.45 0.00 0.00 179.45 176.54 2kq2 h SER 133 N 0.47 0.53 0.39 4.20 0.87 -1.19 -2.83 113.55 115.99 2kq2 h SER 133 Ca 0.25 -0.40 -0.05 0.00 -1.23 0.00 0.00 61.79 60.37 2kq2 h SER 133 Cb 0.21 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2kq2 h SER 133 CO -0.21 1.18 -0.22 0.00 -0.53 0.00 0.00 176.83 177.05 2kq2 h ALA 134 N 0.79 1.36 0.00 6.23 0.00 -0.69 -1.05 119.26 125.91 2kq2 h ALA 134 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2kq2 h ALA 134 Cb 1.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2kq2 h ALA 134 CO 0.15 0.28 -0.27 1.28 0.00 0.00 0.00 179.25 180.69 2kq2 n LEU 135 N -3.88 0.42 0.00 0.00 4.77 -0.39 -4.75 117.00 113.17 2kq2 n LEU 135 Ca -0.02 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2kq2 n LEU 135 Cb 0.31 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2kq2 n LEU 135 CO 0.34 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2kq2 n GLY 136 N 1.44 0.59 3.59 -0.72 0.00 -0.40 -5.00 105.19 104.70 2kq2 n GLY 136 Ca 0.06 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 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 3.84 0.00 -0.61 1.01 -1.07 -4.97 121.20 117.39 2kq2 s ILE 137 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.47 2kq2 s ILE 137 Cb 0.00 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.26 2kq2 s ILE 137 CO 0.00 -0.82 0.00 0.54 0.00 0.00 0.00 174.94 174.66 2kq2 n ARG 138 N 8.25 1.94 -2.37 2.79 3.00 -1.26 -4.74 116.66 124.27 2kq2 n ARG 138 Ca 0.16 0.00 -0.25 0.00 -0.01 0.00 0.00 57.85 57.75 2kq2 n ARG 138 Cb 0.48 0.00 0.05 0.00 0.00 0.00 0.00 32.46 32.99 2kq2 n ARG 138 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2kq2 s ASP 139 N -0.78 5.25 0.14 0.55 -4.77 -1.26 -5.02 116.67 110.78 2kq2 s ASP 139 Ca 0.00 0.51 0.23 0.00 -3.30 0.00 0.00 52.55 49.99 2kq2 s ASP 139 Cb 0.00 -1.36 -0.03 0.00 -1.09 0.00 0.00 42.92 40.44 2kq2 s ASP 139 CO 0.00 -1.28 0.96 0.18 0.70 0.00 0.00 175.17 175.74 2kq2 n LEU 140 N -2.68 0.67 0.08 2.11 4.77 -1.26 -4.17 117.00 116.52 2kq2 n LEU 140 Ca 0.06 0.23 -0.07 0.00 -0.03 0.00 0.00 56.01 56.20 2kq2 n LEU 140 Cb 0.59 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 2kq2 n LEU 140 CO 0.51 -0.12 0.18 -0.08 -1.33 0.00 0.00 177.39 176.55 2kq2 h GLU 141 N 0.00 0.06 -6.35 3.23 4.81 -2.01 -3.43 114.58 110.88 2kq2 h GLU 141 Ca 0.00 -0.08 -0.53 0.00 -0.13 0.00 0.00 59.36 58.62 2kq2 h GLU 141 Cb 0.95 0.03 0.02 0.00 0.63 0.00 0.00 28.75 30.38 2kq2 h GLU 141 CO 0.00 0.97 1.22 -1.58 -0.73 0.00 0.00 179.01 178.88 2kq2 s HIS 142 N -2.89 1.36 -0.30 0.92 2.46 -1.26 -2.87 115.29 112.71 2kq2 s HIS 142 Ca -0.00 -0.40 -0.09 0.00 0.47 0.00 0.00 55.06 55.04 2kq2 s HIS 142 Cb 0.10 -4.22 0.01 0.00 -0.13 0.00 0.00 32.58 28.34 2kq2 s HIS 142 CO 0.82 -5.42 0.32 0.72 -2.47 0.00 0.00 174.74 168.72 2kq2 n HIS 143 N 7.45 -2.83 -2.37 3.88 8.25 -1.26 -4.99 115.22 123.35 2kq2 n HIS 143 Ca 0.20 1.18 -0.29 0.00 -0.26 0.00 0.00 57.72 58.55 2kq2 n HIS 143 Cb 0.41 -3.49 0.00 0.00 1.12 0.00 0.00 29.99 28.03 2kq2 n HIS 143 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kq2 s HIS 144 N -1.95 3.58 0.46 4.41 -0.00 -1.14 -5.04 115.29 115.61 2kq2 s HIS 144 Ca 0.13 0.97 0.05 0.00 -0.00 0.00 0.00 55.06 56.21 2kq2 s HIS 144 Cb -0.04 -2.45 -0.04 0.00 -0.00 0.00 0.00 32.58 30.05 2kq2 s HIS 144 CO 0.60 -0.43 0.10 -1.58 -0.00 0.00 0.00 174.74 173.43 2kq2 s HIS 145 N -2.90 2.24 0.29 0.38 5.65 -1.26 -5.16 115.29 114.54 2kq2 s HIS 145 Ca 0.50 -0.75 0.10 0.00 0.25 0.00 0.00 55.06 55.16 2kq2 s HIS 145 Cb -0.11 -1.80 -0.05 0.00 -1.18 0.00 0.00 32.58 29.45 2kq2 s HIS 145 CO 0.48 0.20 -0.05 -1.01 -0.65 0.00 0.00 174.74 173.71 2kq2 s HIS 146 N -2.74 2.55 -1.53 3.88 3.76 -1.26 -5.23 115.29 114.73 2kq2 s HIS 146 Ca 0.28 -0.31 0.12 0.00 -0.15 0.00 0.00 55.06 55.00 2kq2 s HIS 146 Cb 0.04 -1.24 0.10 0.00 1.11 0.00 0.00 32.58 32.59 2kq2 s HIS 146 CO 0.15 0.60 0.89 0.72 -0.85 0.00 0.00 174.74 176.25