#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 1.27 -4.58 3.17 8.00 -1.26 -4.96 116.55 118.20 2kq2 n ASP 2 Ca 0.00 -1.63 -0.41 0.00 0.71 0.00 0.00 54.79 53.46 2kq2 n ASP 2 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2kq2 n ASP 2 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2kq2 s ASP 3 N -0.63 6.53 0.00 -2.24 -4.77 -1.26 -4.45 116.67 109.85 2kq2 s ASP 3 Ca 0.00 -2.19 0.23 0.00 -3.30 0.00 0.00 52.55 47.29 2kq2 s ASP 3 Cb 0.00 -2.58 0.36 0.00 -1.09 0.00 0.00 42.92 39.61 2kq2 s ASP 3 CO 0.00 -1.49 1.36 -2.11 0.70 0.00 0.00 175.17 173.63 2kq2 n ARG 4 N 8.45 2.45 -2.06 2.11 1.85 -1.26 -4.96 116.66 123.24 2kq2 n ARG 4 Ca 0.46 -2.19 -0.42 0.00 -1.00 0.00 0.00 57.85 54.70 2kq2 n ARG 4 Cb 0.47 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.35 2kq2 n ARG 4 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2kq2 s THR 5 N -1.62 2.93 0.47 8.89 -4.23 -1.26 -4.96 115.64 115.86 2kq2 s THR 5 Ca 0.36 0.70 -0.24 0.00 -1.18 0.00 0.00 61.69 61.32 2kq2 s THR 5 Cb 0.22 -3.45 -0.08 0.00 1.34 0.00 0.00 72.50 70.53 2kq2 s THR 5 CO 0.31 0.07 1.32 -1.84 -0.54 0.00 0.00 174.62 173.94 2kq2 n GLU 6 N 3.50 1.91 -2.36 3.99 0.28 -1.26 -4.79 120.64 121.91 2kq2 n GLU 6 Ca 0.11 0.68 -0.42 0.00 -0.16 0.00 0.00 57.16 57.38 2kq2 n GLU 6 Cb 0.41 -2.48 -0.03 0.00 1.43 0.00 0.00 31.44 30.76 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 -1.23 3.40 -0.13 -1.84 1.51 -1.25 -4.81 117.35 113.00 2kq2 s TYR 7 Ca 0.64 1.27 -0.00 0.00 -1.01 0.00 0.00 57.07 57.97 2kq2 s TYR 7 Cb -0.47 -3.47 -0.02 0.00 -0.11 0.00 0.00 41.96 37.89 2kq2 s TYR 7 CO 0.55 -1.47 -0.12 -0.51 -1.11 0.00 0.00 175.55 172.90 2kq2 s ASP 8 N 0.77 4.11 -0.24 2.29 1.01 -1.24 -3.66 116.67 119.72 2kq2 s ASP 8 Ca 0.58 -0.29 0.02 0.00 0.71 0.00 0.00 52.55 53.57 2kq2 s ASP 8 Cb -0.32 -1.59 0.05 0.00 1.01 0.00 0.00 42.92 42.07 2kq2 s ASP 8 CO 0.32 0.18 -0.11 -0.69 0.21 0.00 0.00 175.17 175.07 2kq2 s VAL 9 N 0.29 2.00 -0.35 -1.27 1.01 -1.15 -3.66 120.40 117.27 2kq2 s VAL 9 Ca -0.09 -1.42 -0.13 0.00 0.00 0.00 0.00 61.98 60.34 2kq2 s VAL 9 Cb -0.15 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 2kq2 s VAL 9 CO 0.05 0.05 0.24 -0.31 0.00 0.00 0.00 175.10 175.13 2kq2 s TYR 10 N 1.20 3.22 -0.33 5.22 1.51 -1.20 -4.39 117.35 122.58 2kq2 s TYR 10 Ca -0.06 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.59 2kq2 s TYR 10 Cb -0.19 -2.48 0.13 0.00 -0.11 0.00 0.00 41.96 39.32 2kq2 s TYR 10 CO -0.06 -0.44 0.21 -0.08 -1.11 0.00 0.00 175.55 174.07 2kq2 s THR 11 N 1.68 -0.05 0.00 -0.71 -1.32 -1.26 -1.06 115.64 112.92 2kq2 s THR 11 Ca 0.05 -1.17 0.00 0.00 -1.21 0.00 0.00 61.69 59.36 2kq2 s THR 11 Cb -0.18 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.81 2kq2 s THR 11 CO 0.09 -0.80 0.00 -0.67 -2.21 0.00 0.00 174.62 171.03 2kq2 n ASP 12 N 4.61 0.00 -2.55 8.08 -0.08 -1.25 -3.58 116.55 121.78 2kq2 n ASP 12 Ca 0.04 -0.66 -0.03 0.00 -1.51 0.00 0.00 54.79 52.63 2kq2 n ASP 12 Cb 0.41 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.88 2kq2 n ASP 12 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kq2 n GLY 13 N 5.00 -0.78 0.00 0.27 0.00 -1.26 -4.25 105.19 104.17 2kq2 n GLY 13 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2kq2 n GLY 13 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kq2 n SER 14 N -1.83 0.00 -3.72 1.61 7.64 -1.26 -4.28 113.62 111.78 2kq2 n SER 14 Ca -0.01 0.04 -0.12 0.00 1.01 0.00 0.00 58.87 59.79 2kq2 n SER 14 Cb 0.52 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.59 2kq2 n SER 14 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2kq2 s TYR 15 N -0.09 -0.36 -0.17 1.43 -0.85 -1.26 -1.98 117.35 114.08 2kq2 s TYR 15 Ca 0.00 0.84 -0.01 0.00 -0.52 0.00 0.00 57.07 57.38 2kq2 s TYR 15 Cb 0.00 0.05 -0.01 0.00 0.38 0.00 0.00 41.96 42.39 2kq2 s TYR 15 CO 0.00 -0.25 -0.12 0.54 -1.52 0.00 0.00 175.55 174.20 2kq2 s VAL 16 N 1.39 2.96 -1.71 -3.49 0.11 0.12 -4.55 120.40 115.23 2kq2 s VAL 16 Ca -0.08 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 2kq2 s VAL 16 Cb -0.10 -2.28 0.00 0.00 -1.53 0.00 0.00 36.38 32.47 2kq2 s VAL 16 CO -0.09 0.50 0.00 0.59 -3.33 0.00 0.00 175.10 172.77 2kq2 n ASN 17 N 4.10 -5.22 0.00 3.54 5.03 -1.26 -1.00 115.26 120.45 2kq2 n ASN 17 Ca -0.19 0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.44 2kq2 n ASN 17 Cb 0.52 -4.46 0.00 0.00 -1.02 0.00 0.00 39.78 34.82 2kq2 n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2kq2 n GLY 18 N -0.77 3.17 3.69 7.41 0.00 -1.26 -5.04 105.19 112.39 2kq2 n GLY 18 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.39 4.38 0.07 1.61 1.11 -0.17 -4.98 119.66 121.29 2kq2 s GLN 19 Ca 0.00 1.58 0.04 0.00 0.01 0.00 0.00 55.36 56.99 2kq2 s GLN 19 Cb 0.00 -3.55 -0.04 0.00 -1.01 0.00 0.00 33.01 28.41 2kq2 s GLN 19 CO 0.00 -0.40 0.02 1.52 0.01 0.00 0.00 175.29 176.45 2kq2 s TYR 20 N 2.12 3.06 0.21 0.91 1.13 -1.26 0.12 117.35 123.63 2kq2 s TYR 20 Ca 0.53 0.02 -0.07 0.00 -1.41 0.00 0.00 57.07 56.15 2kq2 s TYR 20 Cb -0.23 -1.58 -0.02 0.00 -1.10 0.00 0.00 41.96 39.03 2kq2 s TYR 20 CO 0.21 0.49 0.29 0.00 -2.51 0.00 0.00 175.55 174.02 2kq2 s ALA 21 N -1.30 0.47 -0.09 9.51 0.00 -0.84 -4.05 121.76 125.46 2kq2 s ALA 21 Ca 0.26 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.98 2kq2 s ALA 21 Cb -0.12 1.19 0.00 0.00 0.00 0.00 0.00 23.12 24.20 2kq2 s ALA 21 CO 0.18 -0.70 -0.21 1.67 0.00 0.00 0.00 175.76 176.70 2kq2 s TRP 22 N -4.08 2.31 -0.17 0.00 1.48 -0.03 -4.60 118.94 113.85 2kq2 s TRP 22 Ca 0.30 -0.95 -0.13 0.00 -1.06 0.00 0.00 56.10 54.25 2kq2 s TRP 22 Cb 0.03 -1.57 0.05 0.00 -1.16 0.00 0.00 33.47 30.83 2kq2 s TRP 22 CO 0.09 -0.40 0.43 0.00 -4.06 0.00 0.00 176.95 173.01 2kq2 s ALA 23 N 0.46 -1.08 0.04 2.67 0.00 -1.26 -1.08 121.76 121.50 2kq2 s ALA 23 Ca -0.17 1.34 -0.21 0.00 0.00 0.00 0.00 51.96 52.92 2kq2 s ALA 23 Cb -0.17 -0.79 0.05 0.00 0.00 0.00 0.00 23.12 22.20 2kq2 s ALA 23 CO 0.07 -0.23 0.49 1.52 0.00 0.00 0.00 175.76 177.61 2kq2 s TYR 24 N 0.61 -0.38 -0.07 0.00 1.13 -1.06 -3.80 117.35 113.77 2kq2 s TYR 24 Ca -0.03 0.44 -0.00 0.00 -1.41 0.00 0.00 57.07 56.06 2kq2 s TYR 24 Cb -0.05 0.30 0.03 0.00 -1.10 0.00 0.00 41.96 41.14 2kq2 s TYR 24 CO -0.04 -0.61 -0.03 0.00 -2.51 0.00 0.00 175.55 172.37 2kq2 s ALA 25 N -2.31 0.82 -0.60 9.51 0.00 -0.22 -2.87 121.76 126.09 2kq2 s ALA 25 Ca -0.06 -0.19 -0.25 0.00 0.00 0.00 0.00 51.96 51.45 2kq2 s ALA 25 Cb -0.01 -0.69 0.04 0.00 0.00 0.00 0.00 23.12 22.46 2kq2 s ALA 25 CO -0.01 -0.33 1.05 -0.06 0.00 0.00 0.00 175.76 176.41 2kq2 s PHE 26 N 1.63 2.66 -0.13 0.00 0.08 -0.09 -3.27 117.98 118.87 2kq2 s PHE 26 Ca 0.01 0.00 0.02 0.00 0.12 0.00 0.00 56.93 57.08 2kq2 s PHE 26 Cb -0.13 -4.28 -0.00 0.00 -0.57 0.00 0.00 43.02 38.04 2kq2 s PHE 26 CO -0.04 -1.55 -0.19 0.54 -0.10 0.00 0.00 175.22 173.87 2kq2 s VAL 27 N 4.44 2.39 -0.06 -0.44 0.11 -1.24 -1.50 120.40 124.11 2kq2 s VAL 27 Ca 0.33 -0.88 0.03 0.00 -2.93 0.00 0.00 61.98 58.52 2kq2 s VAL 27 Cb -0.11 -1.96 0.01 0.00 -1.53 0.00 0.00 36.38 32.78 2kq2 s VAL 27 CO 0.19 0.54 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.84 2kq2 s LYS 28 N 0.55 1.57 -0.47 1.54 1.02 0.39 -3.65 119.74 120.69 2kq2 s LYS 28 Ca -0.12 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.46 2kq2 s LYS 28 Cb -0.16 -1.33 0.00 0.00 -0.52 0.00 0.00 37.83 35.81 2kq2 s LYS 28 CO 0.04 0.07 0.00 -3.47 -0.92 0.00 0.00 175.35 171.07 2kq2 n ASP 29 N 3.65 -4.96 0.00 2.83 2.03 -1.26 -0.77 116.55 118.07 2kq2 n ASP 29 Ca -0.22 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.20 2kq2 n ASP 29 Cb 0.52 -2.86 0.00 0.00 -0.72 0.00 0.00 41.12 38.07 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 -0.54 0.61 3.63 0.27 0.00 -1.26 -5.07 105.19 102.83 2kq2 n GLY 30 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.87 2.71 -0.20 1.61 3.01 0.05 -5.09 119.74 120.95 2kq2 s LYS 31 Ca 0.00 -0.62 -0.05 0.00 -1.01 0.00 0.00 55.97 54.29 2kq2 s LYS 31 Cb 0.00 -2.60 -0.02 0.00 -1.01 0.00 0.00 37.83 34.20 2kq2 s LYS 31 CO 0.00 0.63 -0.00 0.08 0.51 0.00 0.00 175.35 176.57 2kq2 s VAL 32 N -0.97 3.91 -0.06 3.17 1.01 -1.26 -0.46 120.40 125.73 2kq2 s VAL 32 Ca 0.16 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.90 2kq2 s VAL 32 Cb -0.11 -2.77 -0.11 0.00 0.00 0.00 0.00 36.38 33.39 2kq2 s VAL 32 CO 0.07 0.43 0.07 1.57 0.00 0.00 0.00 175.10 177.24 2kq2 n HIS 33 N 4.28 0.00 -4.62 5.22 -0.00 -0.56 -5.01 115.22 114.53 2kq2 n HIS 33 Ca -0.17 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.79 2kq2 n HIS 33 Cb 0.52 -0.36 -0.15 0.00 -0.12 0.00 0.00 29.99 29.88 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 -2.31 1.25 -0.26 1.57 2.02 -1.23 -4.99 117.35 113.39 2kq2 s TYR 34 Ca -0.04 -0.24 -0.11 0.00 -0.37 0.00 0.00 57.07 56.30 2kq2 s TYR 34 Cb 0.03 -0.80 0.10 0.00 -0.40 0.00 0.00 41.96 40.90 2kq2 s TYR 34 CO 0.35 -0.02 0.60 -2.00 -1.57 0.00 0.00 175.55 172.91 2kq2 s GLU 35 N -0.39 0.56 -0.12 -0.62 2.12 -1.26 -0.91 118.70 118.07 2kq2 s GLU 35 Ca 0.05 1.25 -0.30 0.00 0.36 0.00 0.00 54.97 56.34 2kq2 s GLU 35 Cb -0.06 0.47 0.09 0.00 0.26 0.00 0.00 34.13 34.89 2kq2 s GLU 35 CO -0.00 -0.19 0.79 0.34 -0.54 0.00 0.00 175.26 175.65 2kq2 s ASP 36 N 2.30 -0.59 -0.05 -1.70 2.15 -1.14 -5.05 116.67 112.60 2kq2 s ASP 36 Ca -0.07 0.76 -0.03 0.00 0.43 0.00 0.00 52.55 53.64 2kq2 s ASP 36 Cb -0.09 0.64 0.02 0.00 -0.30 0.00 0.00 42.92 43.19 2kq2 s ASP 36 CO -0.18 -0.46 0.12 0.00 -0.17 0.00 0.00 175.17 174.48 2kq2 s ALA 37 N -0.85 -0.25 0.27 3.66 0.00 -1.26 -2.56 121.76 120.76 2kq2 s ALA 37 Ca -0.06 0.43 -0.21 0.00 0.00 0.00 0.00 51.96 52.12 2kq2 s ALA 37 Cb -0.01 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.86 2kq2 s ALA 37 CO 0.06 -0.09 0.70 0.34 0.00 0.00 0.00 175.76 176.76 2kq2 s ASP 38 N 0.47 -0.29 -0.13 0.00 2.15 -0.24 -4.91 116.67 113.72 2kq2 s ASP 38 Ca -0.03 -0.55 -0.03 0.00 0.43 0.00 0.00 52.55 52.36 2kq2 s ASP 38 Cb -0.05 0.71 -0.03 0.00 -0.30 0.00 0.00 42.92 43.25 2kq2 s ASP 38 CO -0.02 -1.30 -0.01 -0.69 -0.17 0.00 0.00 175.17 172.98 2kq2 s VAL 39 N -3.90 4.20 -0.01 1.11 1.01 -1.26 -0.85 120.40 120.70 2kq2 s VAL 39 Ca 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 2kq2 s VAL 39 Cb -0.05 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.52 2kq2 s VAL 39 CO 0.05 0.54 0.03 0.61 0.00 0.00 0.00 175.10 176.32 2kq2 n GLY 40 N 2.94 -4.94 3.15 4.51 0.00 -1.26 -4.94 105.19 104.65 2kq2 n GLY 40 Ca -0.18 0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 2kq2 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kq2 s LYS 41 N -0.99 3.45 0.47 1.61 -2.85 -1.26 -4.91 119.74 115.27 2kq2 s LYS 41 Ca -0.03 -3.26 -0.17 0.00 -1.00 0.00 0.00 55.97 51.51 2kq2 s LYS 41 Cb 0.00 -4.07 -0.09 0.00 -2.06 0.00 0.00 37.83 31.61 2kq2 s LYS 41 CO 0.08 -1.26 0.95 -0.80 0.10 0.00 0.00 175.35 174.41 2kq2 s ASN 42 N 0.15 6.70 0.20 0.03 0.01 -1.26 -4.81 114.94 115.97 2kq2 s ASN 42 Ca 0.28 1.55 -0.17 0.00 -0.71 0.00 0.00 52.86 53.81 2kq2 s ASN 42 Cb -0.08 -2.49 0.19 0.00 0.41 0.00 0.00 41.25 39.28 2kq2 s ASN 42 CO -0.12 -0.49 1.61 -0.65 -1.51 0.00 0.00 177.10 175.94 2kq2 h PRO 43 N 1.27 -0.08 0.25 -0.60 0.11 -1.97 0.14 132.00 131.11 2kq2 h PRO 43 Ca -0.47 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2kq2 h PRO 43 Cb 1.18 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kq2 h PRO 43 CO 0.62 -0.05 -0.12 0.00 -0.21 0.00 0.00 178.00 178.23 2kq2 h ALA 44 N 1.33 -0.33 -0.16 -0.75 0.00 -1.97 -2.72 119.26 114.67 2kq2 h ALA 44 Ca 0.27 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2kq2 h ALA 44 Cb 0.52 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2kq2 h ALA 44 CO -0.67 -0.51 -0.05 0.00 0.00 0.00 0.00 179.25 178.02 2kq2 h ALA 45 N -0.05 0.09 -0.52 0.00 0.00 -1.85 0.23 119.26 117.16 2kq2 h ALA 45 Ca -0.03 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2kq2 h ALA 45 Cb 0.47 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2kq2 h ALA 45 CO 0.06 -0.49 0.21 0.00 0.00 0.00 0.00 179.25 179.02 2kq2 h ALA 46 N 1.13 1.39 0.06 0.00 0.00 -0.80 0.16 119.26 121.19 2kq2 h ALA 46 Ca 0.08 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 2kq2 h ALA 46 Cb 0.14 -0.21 0.02 0.00 0.00 0.00 0.00 17.79 17.74 2kq2 h ALA 46 CO -0.17 0.46 -1.00 1.15 0.00 0.00 0.00 179.25 179.69 2kq2 h THR 47 N 0.74 1.33 -0.51 0.00 2.02 -1.14 -2.75 112.91 112.61 2kq2 h THR 47 Ca 0.18 -2.31 -0.02 0.00 0.77 0.00 0.00 66.41 65.04 2kq2 h THR 47 Cb 0.15 2.61 -0.02 0.00 -1.74 0.00 0.00 68.15 69.15 2kq2 h THR 47 CO -0.02 0.70 0.25 -0.03 0.37 0.00 0.00 175.52 176.79 2kq2 h MET 48 N 0.18 0.73 0.00 6.66 -1.53 -0.13 -1.83 114.93 119.01 2kq2 h MET 48 Ca -0.14 -0.10 0.00 0.00 -3.44 0.00 0.00 59.70 56.01 2kq2 h MET 48 Cb 1.69 -0.13 0.00 0.00 -0.55 0.00 0.00 31.60 32.60 2kq2 h MET 48 CO 0.19 0.60 0.00 0.54 0.14 0.00 0.00 176.91 178.39 2kq2 n ARG 49 N -4.60 0.47 -0.77 0.39 1.74 0.52 -4.86 116.66 109.55 2kq2 n ARG 49 Ca 0.02 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2kq2 n ARG 49 Cb 0.11 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 2kq2 n ARG 49 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2kq2 n ASN 50 N -1.21 -0.30 -0.22 0.55 5.15 -0.69 -4.84 115.26 113.71 2kq2 n ASN 50 Ca 0.14 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 54.10 2kq2 n ASN 50 Cb 0.16 -1.29 0.10 0.00 -0.53 0.00 0.00 39.78 38.22 2kq2 n ASN 50 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 2kq2 h VAL 51 N 0.00 0.91 0.00 3.44 2.07 -1.76 -0.23 116.25 120.69 2kq2 h VAL 51 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2kq2 h VAL 51 Cb 0.03 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2kq2 h VAL 51 CO 0.00 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.70 2kq2 h ALA 52 N 1.36 1.00 -0.63 1.67 0.00 -1.87 -2.72 119.26 118.08 2kq2 h ALA 52 Ca 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 2kq2 h ALA 52 Cb 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2kq2 h ALA 52 CO -0.21 0.00 0.08 0.78 0.00 0.00 0.00 179.25 179.90 2kq2 h GLY 53 N 0.58 1.12 0.87 0.00 0.00 -1.33 0.02 103.07 104.32 2kq2 h GLY 53 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 2kq2 h GLY 53 CO 0.00 0.69 0.04 0.83 0.00 0.00 0.00 176.54 178.10 2kq2 h GLU 54 N 0.97 0.17 0.00 4.80 4.39 -1.62 -0.43 114.58 122.86 2kq2 h GLU 54 Ca 0.19 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 2kq2 h GLU 54 Cb 0.45 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2kq2 h GLU 54 CO 0.01 0.28 -0.41 -0.84 -1.16 0.00 0.00 179.01 176.89 2kq2 h ILE 55 N 0.02 1.17 -0.64 3.13 -2.65 -1.69 -1.00 117.51 115.86 2kq2 h ILE 55 Ca 0.04 -1.48 -0.05 0.00 1.03 0.00 0.00 64.86 64.40 2kq2 h ILE 55 Cb 0.17 1.82 -0.03 0.00 -2.05 0.00 0.00 36.82 36.74 2kq2 h ILE 55 CO -0.00 0.41 0.19 0.00 0.03 0.00 0.00 178.15 178.77 2kq2 h ALA 56 N 1.59 0.83 -0.26 0.16 0.00 -0.49 -0.73 119.26 120.36 2kq2 h ALA 56 Ca -0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 2kq2 h ALA 56 Cb 0.79 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2kq2 h ALA 56 CO 0.05 0.51 -0.33 0.00 0.00 0.00 0.00 179.25 179.49 2kq2 h ALA 57 N 1.07 0.95 0.00 0.00 0.00 -0.77 -2.65 119.26 117.86 2kq2 h ALA 57 Ca 0.20 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2kq2 h ALA 57 Cb 0.30 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kq2 h ALA 57 CO -0.01 0.61 -0.07 0.00 0.00 0.00 0.00 179.25 179.79 2kq2 h ALA 58 N 1.18 1.10 -0.56 0.00 0.00 -0.72 -2.64 119.26 117.62 2kq2 h ALA 58 Ca 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2kq2 h ALA 58 Cb 0.80 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2kq2 h ALA 58 CO 0.06 0.09 0.37 1.25 0.00 0.00 0.00 179.25 181.02 2kq2 h LEU 59 N 0.00 0.63 -1.06 0.00 5.85 -0.76 0.19 115.31 120.16 2kq2 h LEU 59 Ca -0.00 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 2kq2 h LEU 59 Cb 0.38 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2kq2 h LEU 59 CO 0.01 0.45 -0.40 1.88 -0.34 0.00 0.00 178.44 180.04 2kq2 h TYR 60 N 0.74 0.15 -0.19 1.25 -1.99 -1.60 -0.54 116.97 114.80 2kq2 h TYR 60 Ca 0.21 -0.04 -0.13 0.00 2.00 0.00 0.00 58.73 60.77 2kq2 h TYR 60 Cb -0.07 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 38.62 2kq2 h TYR 60 CO -0.00 0.52 -0.44 0.00 -0.00 0.00 0.00 178.16 178.23 2kq2 h ALA 61 N 1.48 0.88 -0.73 3.88 0.00 -1.12 -0.86 119.26 122.79 2kq2 h ALA 61 Ca 0.01 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 2kq2 h ALA 61 Cb 0.76 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2kq2 h ALA 61 CO 0.06 0.65 0.21 0.28 0.00 0.00 0.00 179.25 180.45 2kq2 h VAL 62 N 0.38 1.26 -0.68 0.00 2.07 -0.54 0.15 116.25 118.89 2kq2 h VAL 62 Ca 0.03 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 2kq2 h VAL 62 Cb 0.93 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 2kq2 h VAL 62 CO 0.08 0.36 0.38 0.11 0.02 0.00 0.00 177.57 178.52 2kq2 h LYS 63 N 1.08 0.95 -0.60 1.57 1.57 -0.77 -0.01 116.57 120.37 2kq2 h LYS 63 Ca 0.23 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2kq2 h LYS 63 Cb 0.32 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2kq2 h LYS 63 CO -0.01 0.70 0.16 0.87 -0.57 0.00 0.00 179.45 180.60 2kq2 h LYS 64 N 0.93 0.92 -0.03 3.15 1.57 -0.73 -2.05 116.57 120.33 2kq2 h LYS 64 Ca 0.24 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2kq2 h LYS 64 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2kq2 h LYS 64 CO -0.04 0.81 -0.23 0.00 -0.57 0.00 0.00 179.45 179.42 2kq2 h ALA 65 N 1.29 1.55 -0.48 3.86 0.00 -0.06 0.14 119.26 125.56 2kq2 h ALA 65 Ca 0.19 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2kq2 h ALA 65 Cb 0.30 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2kq2 h ALA 65 CO -0.00 0.33 -0.03 1.03 0.00 0.00 0.00 179.25 180.58 2kq2 h SER 66 N 0.05 0.86 0.68 0.00 0.87 -0.34 0.12 113.55 115.80 2kq2 h SER 66 Ca 0.01 -0.32 -0.10 0.00 -1.23 0.00 0.00 61.79 60.15 2kq2 h SER 66 Cb 0.45 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 2kq2 h SER 66 CO 0.03 0.98 -0.49 1.56 -0.53 0.00 0.00 176.83 178.38 2kq2 h GLN 67 N 0.73 0.00 0.00 2.24 1.08 -0.85 -3.00 115.11 115.31 2kq2 h GLN 67 Ca 0.13 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.21 2kq2 h GLN 67 Cb 0.55 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.96 2kq2 h GLN 67 CO 0.03 0.49 -0.71 1.25 -0.95 0.00 0.00 178.83 178.94 2kq2 h LEU 68 N 0.00 0.00 -0.35 1.46 5.85 -0.45 -3.48 115.31 118.34 2kq2 h LEU 68 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kq2 h LEU 68 Cb 0.96 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2kq2 h LEU 68 CO 0.06 0.57 0.00 0.61 -0.34 0.00 0.00 178.44 179.34 2kq2 n GLY 69 N 1.27 0.90 2.73 3.75 0.00 0.27 -5.06 105.19 109.05 2kq2 n GLY 69 Ca -0.00 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 2kq2 n GLY 69 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kq2 n VAL 70 N -2.49 0.00 -3.98 1.61 0.24 -0.38 -5.05 118.33 108.28 2kq2 n VAL 70 Ca 0.00 -1.84 -0.10 0.00 -2.04 0.00 0.00 64.34 60.36 2kq2 n VAL 70 Cb 0.36 0.44 -0.04 0.00 -1.47 0.00 0.00 33.84 33.13 2kq2 n VAL 70 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2kq2 s LYS 71 N -3.35 1.74 0.12 7.34 -2.85 -1.26 -4.50 119.74 116.98 2kq2 s LYS 71 Ca 0.04 -1.36 0.09 0.00 -1.00 0.00 0.00 55.97 53.73 2kq2 s LYS 71 Cb 0.00 0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 36.23 2kq2 s LYS 71 CO 0.03 -0.75 -0.21 0.96 0.10 0.00 0.00 175.35 175.49 2kq2 s ILE 72 N -3.57 1.79 -0.26 3.79 -4.36 0.49 -3.83 121.20 115.25 2kq2 s ILE 72 Ca 0.22 -1.65 -0.08 0.00 -0.26 0.00 0.00 60.65 58.88 2kq2 s ILE 72 Cb -0.02 -1.67 -0.02 0.00 1.25 0.00 0.00 42.46 42.01 2kq2 s ILE 72 CO 0.12 -0.11 0.09 -0.13 0.24 0.00 0.00 174.94 175.14 2kq2 s ARG 73 N -2.14 3.54 -0.22 0.37 3.00 -1.24 -4.13 118.95 118.13 2kq2 s ARG 73 Ca 0.09 -0.56 -0.03 0.00 0.00 0.00 0.00 55.73 55.24 2kq2 s ARG 73 Cb -0.09 -3.37 0.01 0.00 0.00 0.00 0.00 34.95 31.50 2kq2 s ARG 73 CO 0.05 -0.26 -0.07 0.42 0.00 0.00 0.00 175.30 175.45 2kq2 s ILE 74 N 1.60 3.06 -0.57 1.52 1.01 -1.10 -2.93 121.20 123.79 2kq2 s ILE 74 Ca 0.06 -0.71 0.12 0.00 0.00 0.00 0.00 60.65 60.13 2kq2 s ILE 74 Cb -0.16 -2.43 0.37 0.00 0.01 0.00 0.00 42.46 40.26 2kq2 s ILE 74 CO 0.04 0.37 1.30 0.18 0.00 0.00 0.00 174.94 176.83 2kq2 n LEU 75 N 4.74 3.21 -4.69 2.97 4.77 -1.26 -1.60 117.00 125.13 2kq2 n LEU 75 Ca -0.18 -2.41 -0.41 0.00 -0.03 0.00 0.00 56.01 52.99 2kq2 n LEU 75 Cb 0.50 -0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 2kq2 n LEU 75 CO 0.28 0.70 0.53 -2.28 -1.33 0.00 0.00 177.39 175.28 2kq2 s HIS 76 N -1.73 3.50 0.05 -1.77 2.46 -1.23 -4.80 115.29 111.77 2kq2 s HIS 76 Ca 0.29 1.28 -0.30 0.00 0.47 0.00 0.00 55.06 56.80 2kq2 s HIS 76 Cb 0.20 -2.94 -0.08 0.00 -0.13 0.00 0.00 32.58 29.63 2kq2 s HIS 76 CO 0.12 -0.10 1.71 0.34 -2.47 0.00 0.00 174.74 174.35 2kq2 s ASP 77 N 1.02 6.58 0.00 9.88 2.15 -1.26 -4.73 116.67 130.30 2kq2 s ASP 77 Ca 0.39 2.49 0.00 0.00 0.43 0.00 0.00 52.55 55.86 2kq2 s ASP 77 Cb -0.17 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 2kq2 s ASP 77 CO 0.16 -0.93 0.51 0.00 -0.17 0.00 0.00 175.17 174.74 2kq2 n TYR 78 N 6.14 0.00 -0.03 -5.34 9.36 -1.26 -4.94 117.16 121.09 2kq2 n TYR 78 Ca 0.17 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.34 2kq2 n TYR 78 Cb 0.41 0.22 0.16 0.00 -0.63 0.00 0.00 39.34 39.50 2kq2 n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2kq2 h ALA 79 N 0.00 1.03 -0.62 2.98 0.00 -1.99 -2.90 119.26 117.76 2kq2 h ALA 79 Ca 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2kq2 h ALA 79 Cb 1.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2kq2 h ALA 79 CO 0.00 0.58 0.31 0.78 0.00 0.00 0.00 179.25 180.93 2kq2 h GLY 80 N 0.99 0.95 2.00 0.00 0.00 -2.01 -2.63 103.07 102.38 2kq2 h GLY 80 Ca 0.08 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 2kq2 h GLY 80 CO 0.05 0.44 -0.03 -2.22 0.00 0.00 0.00 176.54 174.78 2kq2 h ILE 81 N 0.85 0.05 0.00 2.60 1.08 -1.96 -3.31 117.51 116.83 2kq2 h ILE 81 Ca 0.22 -0.89 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 2kq2 h ILE 81 Cb 0.09 1.84 0.00 0.00 -3.07 0.00 0.00 36.82 35.69 2kq2 h ILE 81 CO -0.03 0.03 0.00 0.00 -0.69 0.00 0.00 178.15 177.46 2kq2 n ALA 82 N -2.11 1.75 0.33 1.87 0.00 -0.99 -2.69 120.51 118.67 2kq2 n ALA 82 Ca 0.03 -0.03 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2kq2 n ALA 82 Cb 0.46 -1.29 0.63 0.00 0.00 0.00 0.00 19.45 19.25 2kq2 n ALA 82 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2kq2 h PHE 83 N 0.00 0.00 0.00 0.00 -0.00 -1.70 -1.72 116.94 113.52 2kq2 h PHE 83 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2kq2 h PHE 83 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.26 2kq2 h PHE 83 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 178.31 176.82 2kq2 h TRP 84 N 0.00 0.00 -0.01 6.09 4.06 -1.81 -0.34 115.95 123.93 2kq2 h TRP 84 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2kq2 h TRP 84 Cb 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.57 2kq2 h TRP 84 CO 0.00 0.00 -0.03 0.00 -3.56 0.00 0.00 178.44 174.85 2kq2 n ALA 85 N -2.00 2.64 -1.07 1.49 0.00 -0.65 -2.47 120.51 118.45 2kq2 n ALA 85 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2kq2 n ALA 85 Cb 0.22 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.10 0.00 0.00 0.00 5.66 -0.97 -1.53 114.28 117.54 2kq2 n THR 86 Ca 0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.18 2kq2 n THR 86 Cb 0.36 1.81 0.00 0.00 -1.55 0.00 0.00 70.33 70.95 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 0.00 1.16 0.09 1.09 0.00 -0.18 -5.00 105.19 102.36 2kq2 n GLY 87 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2kq2 n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kq2 n GLU 88 N 0.00 0.51 -3.61 1.61 1.02 -1.26 -5.10 120.64 113.81 2kq2 n GLU 88 Ca 0.00 0.28 -0.05 0.00 -0.02 0.00 0.00 57.16 57.37 2kq2 n GLU 88 Cb 0.00 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 29.90 2kq2 n GLU 88 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 2kq2 s TRP 89 N -2.76 -0.15 -0.36 -0.32 -2.14 -1.25 -4.77 118.94 107.18 2kq2 s TRP 89 Ca -0.26 0.20 -0.11 0.00 2.66 0.00 0.00 56.10 58.59 2kq2 s TRP 89 Cb 0.04 0.49 0.01 0.00 -3.10 0.00 0.00 33.47 30.91 2kq2 s TRP 89 CO 0.38 -0.17 0.21 0.21 -2.66 0.00 0.00 176.95 174.93 2kq2 s LYS 90 N -1.55 3.02 -0.78 3.25 2.20 -1.03 -4.88 119.74 119.98 2kq2 s LYS 90 Ca 0.06 -0.95 -0.07 0.00 -0.36 0.00 0.00 55.97 54.66 2kq2 s LYS 90 Cb -0.01 -3.74 0.20 0.00 -1.51 0.00 0.00 37.83 32.77 2kq2 s LYS 90 CO -0.04 -0.62 0.66 0.00 -0.36 0.00 0.00 175.35 174.98 2kq2 s ALA 91 N 1.60 3.95 -0.15 3.13 0.00 -1.26 -2.61 121.76 126.42 2kq2 s ALA 91 Ca 0.03 -3.43 0.17 0.00 0.00 0.00 0.00 51.96 48.73 2kq2 s ALA 91 Cb -0.18 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 2kq2 s ALA 91 CO 0.07 -2.18 1.05 -0.22 0.00 0.00 0.00 175.76 174.48 2kq2 h LYS 92 N 7.08 0.00 0.00 0.00 1.63 -1.95 -3.46 116.57 119.87 2kq2 h LYS 92 Ca 0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 2kq2 h LYS 92 Cb 0.95 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.58 2kq2 h LYS 92 CO 0.77 0.31 0.00 -1.71 -3.45 0.00 0.00 179.45 175.37 2kq2 n ASN 93 N -2.97 0.00 0.14 4.20 2.85 -1.26 -4.89 115.26 113.33 2kq2 n ASN 93 Ca -0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 2kq2 n ASN 93 Cb 0.77 0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.92 2kq2 n ASN 93 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2kq2 n GLU 94 N -2.02 0.00 0.25 1.20 2.13 -1.26 -4.94 120.64 116.01 2kq2 n GLU 94 Ca 0.00 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.90 2kq2 n GLU 94 Cb 0.00 0.00 0.63 0.00 0.27 0.00 0.00 31.44 32.34 2kq2 n GLU 94 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 2kq2 h PHE 95 N 0.00 0.00 -0.35 4.31 0.04 -1.99 -2.39 116.94 116.56 2kq2 h PHE 95 Ca 0.00 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.86 2kq2 h PHE 95 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 2kq2 h PHE 95 CO 0.00 0.03 0.25 1.15 -0.60 0.00 0.00 178.31 179.15 2kq2 h THR 96 N 0.00 0.85 -0.86 -1.55 2.02 -1.92 -2.00 112.91 109.45 2kq2 h THR 96 Ca -0.00 -0.02 0.11 0.00 0.77 0.00 0.00 66.41 67.27 2kq2 h THR 96 Cb 0.06 0.79 -0.08 0.00 -1.74 0.00 0.00 68.15 67.19 2kq2 h THR 96 CO 0.00 0.01 0.49 -0.61 0.37 0.00 0.00 175.52 175.79 2kq2 h GLN 97 N 0.05 0.77 -0.03 6.66 -0.00 -1.17 0.27 115.11 121.66 2kq2 h GLN 97 Ca 0.17 -0.05 -0.23 0.00 -0.00 0.00 0.00 58.65 58.54 2kq2 h GLN 97 Cb 0.61 -0.17 0.01 0.00 0.00 0.00 0.00 27.48 27.92 2kq2 h GLN 97 CO -0.01 0.51 -0.92 0.00 0.00 0.00 0.00 178.83 178.41 2kq2 h ALA 98 N 1.49 0.32 0.02 3.38 0.00 -1.57 -3.22 119.26 119.69 2kq2 h ALA 98 Ca 0.43 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2kq2 h ALA 98 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2kq2 h ALA 98 CO -0.27 0.76 -0.16 -0.92 0.00 0.00 0.00 179.25 178.65 2kq2 h TYR 99 N 0.32 0.08 0.00 0.00 3.20 -1.40 -3.38 116.97 115.80 2kq2 h TYR 99 Ca -0.08 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.73 2kq2 h TYR 99 Cb 1.55 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.82 2kq2 h TYR 99 CO 0.07 1.06 0.00 0.00 -1.64 0.00 0.00 178.16 177.65 2kq2 h ALA 100 N -0.00 1.00 -0.30 1.82 0.00 -0.64 -2.92 119.26 118.22 2kq2 h ALA 100 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2kq2 h ALA 100 Cb 1.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2kq2 h ALA 100 CO 0.02 0.00 0.16 -0.22 0.00 0.00 0.00 179.25 179.21 2kq2 h LYS 101 N 0.00 0.40 0.00 0.00 3.64 -1.72 -2.28 116.57 116.61 2kq2 h LYS 101 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2kq2 h LYS 101 Cb 0.78 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 2kq2 h LYS 101 CO 0.00 0.30 -0.24 1.28 -2.27 0.00 0.00 179.45 178.52 2kq2 n LEU 102 N -4.45 2.25 -0.15 5.20 4.77 -1.20 -4.75 117.00 118.67 2kq2 n LEU 102 Ca 0.01 -3.17 -0.07 0.00 -0.03 0.00 0.00 56.01 52.75 2kq2 n LEU 102 Cb 0.10 -0.42 0.09 0.00 -2.33 0.00 0.00 43.42 40.87 2kq2 n LEU 102 CO 0.36 0.90 0.83 -0.03 -1.33 0.00 0.00 177.39 178.12 2kq2 h MET 103 N 0.37 0.91 -0.34 3.23 4.05 -1.21 -2.20 114.93 119.73 2kq2 h MET 103 Ca -0.01 -0.28 -0.04 0.00 -0.28 0.00 0.00 59.70 59.09 2kq2 h MET 103 Cb 1.06 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.76 2kq2 h MET 103 CO 0.00 0.92 0.04 -0.97 0.23 0.00 0.00 176.91 177.14 2kq2 h ASN 104 N 0.83 0.47 0.32 1.39 -1.24 -1.50 0.87 115.58 116.74 2kq2 h ASN 104 Ca 0.15 -0.07 -0.14 0.00 0.71 0.00 0.00 56.30 56.95 2kq2 h ASN 104 Cb 0.54 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 2kq2 h ASN 104 CO 0.03 0.51 -0.56 -0.61 -1.29 0.00 0.00 177.43 175.51 2kq2 h GLN 105 N 0.50 0.25 0.08 6.67 -0.00 -1.70 -3.20 115.11 117.70 2kq2 h GLN 105 Ca 0.11 -0.16 -0.25 0.00 -0.00 0.00 0.00 58.65 58.36 2kq2 h GLN 105 Cb 0.26 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 27.75 2kq2 h GLN 105 CO 0.00 0.74 -1.12 -0.92 0.00 0.00 0.00 178.83 177.53 2kq2 h TYR 106 N 0.19 0.46 -4.29 3.99 3.20 -0.73 -3.46 116.97 116.33 2kq2 h TYR 106 Ca 0.00 -0.30 -0.52 0.00 3.14 0.00 0.00 58.73 61.05 2kq2 h TYR 106 Cb 1.04 -0.03 0.14 0.00 1.54 0.00 0.00 36.73 39.42 2kq2 h TYR 106 CO 0.02 1.20 0.31 -0.98 -1.64 0.00 0.00 178.16 177.06 2kq2 s ARG 107 N -2.85 2.06 0.00 1.82 1.04 0.21 -4.60 118.95 116.63 2kq2 s ARG 107 Ca -0.04 1.28 0.00 0.00 -1.04 0.00 0.00 55.73 55.93 2kq2 s ARG 107 Cb 0.08 -1.87 0.00 0.00 -2.04 0.00 0.00 34.95 31.12 2kq2 s ARG 107 CO 0.87 -1.81 0.00 0.41 -0.04 0.00 0.00 175.30 174.73 2kq2 n GLY 108 N -0.82 2.86 0.21 3.88 0.00 -1.26 -4.91 105.19 105.15 2kq2 n GLY 108 Ca 0.10 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 2kq2 n GLY 108 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kq2 h ILE 109 N 0.00 1.28 -3.55 -0.61 5.03 -1.85 -3.44 117.51 114.37 2kq2 h ILE 109 Ca 0.00 -2.15 -0.67 0.00 -0.12 0.00 0.00 64.86 61.92 2kq2 h ILE 109 Cb 0.00 2.23 -0.16 0.00 -3.03 0.00 0.00 36.82 35.86 2kq2 h ILE 109 CO 0.00 0.67 -0.69 -0.72 -0.68 0.00 0.00 178.15 176.73 2kq2 s TYR 110 N -3.48 2.92 -0.07 1.37 1.13 -1.26 -0.38 117.35 117.59 2kq2 s TYR 110 Ca -0.10 -0.02 -0.31 0.00 -1.41 0.00 0.00 57.07 55.23 2kq2 s TYR 110 Cb 0.08 -1.61 0.11 0.00 -1.10 0.00 0.00 41.96 39.44 2kq2 s TYR 110 CO 0.92 0.40 1.01 0.45 -2.51 0.00 0.00 175.55 175.81 2kq2 s SER 111 N -1.52 -0.27 -0.02 -0.18 0.15 -1.26 -4.77 113.70 105.83 2kq2 s SER 111 Ca 0.18 -0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.85 2kq2 s SER 111 Cb -0.11 0.30 -0.03 0.00 -1.71 0.00 0.00 66.02 64.46 2kq2 s SER 111 CO 0.09 -0.49 -0.08 0.72 1.20 0.00 0.00 173.24 174.68 2kq2 s PHE 112 N -2.87 2.85 -0.11 3.44 -0.71 -1.26 -2.70 117.98 116.63 2kq2 s PHE 112 Ca 0.07 -0.05 -0.02 0.00 -1.04 0.00 0.00 56.93 55.88 2kq2 s PHE 112 Cb -0.01 -1.62 0.04 0.00 -1.21 0.00 0.00 43.02 40.22 2kq2 s PHE 112 CO -0.07 0.33 0.03 -2.00 -1.34 0.00 0.00 175.22 172.17 2kq2 s GLU 113 N -1.20 0.47 -1.07 1.99 2.12 -0.63 -5.00 118.70 115.38 2kq2 s GLU 113 Ca 0.15 -0.00 -0.18 0.00 0.36 0.00 0.00 54.97 55.29 2kq2 s GLU 113 Cb -0.11 -1.28 0.11 0.00 0.26 0.00 0.00 34.13 33.12 2kq2 s GLU 113 CO 0.05 -0.43 1.37 0.21 -0.54 0.00 0.00 175.26 175.93 2kq2 s LYS 114 N 1.99 3.77 -0.09 4.30 2.20 -1.26 -4.52 119.74 126.13 2kq2 s LYS 114 Ca 0.03 -1.84 0.02 0.00 -0.36 0.00 0.00 55.97 53.82 2kq2 s LYS 114 Cb -0.14 -5.15 -0.02 0.00 -1.51 0.00 0.00 37.83 31.01 2kq2 s LYS 114 CO -0.06 -1.95 -0.14 0.54 -0.36 0.00 0.00 175.35 173.38 2kq2 s VAL 115 N 3.20 3.04 -0.42 4.02 0.11 -1.26 -5.09 120.40 124.00 2kq2 s VAL 115 Ca 0.41 -0.70 0.02 0.00 -2.93 0.00 0.00 61.98 58.78 2kq2 s VAL 115 Cb -0.02 -2.23 0.13 0.00 -1.53 0.00 0.00 36.38 32.73 2kq2 s VAL 115 CO -0.05 0.56 0.20 -0.75 -3.33 0.00 0.00 175.10 171.74 2kq2 s LYS 116 N -0.20 1.33 0.51 1.54 2.47 -1.26 -5.09 119.74 119.03 2kq2 s LYS 116 Ca 0.00 -1.95 0.01 0.00 -1.56 0.00 0.00 55.97 52.47 2kq2 s LYS 116 Cb -0.13 -2.52 -0.01 0.00 -1.46 0.00 0.00 37.83 33.72 2kq2 s LYS 116 CO 0.03 -1.11 0.02 0.00 0.16 0.00 0.00 175.35 174.45 2kq2 s ALA 117 N 0.49 4.08 -0.31 3.13 0.00 -1.26 -5.02 121.76 122.87 2kq2 s ALA 117 Ca 0.16 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 51.89 2kq2 s ALA 117 Cb -0.23 0.11 0.24 0.00 0.00 0.00 0.00 23.12 23.24 2kq2 s ALA 117 CO -0.04 -0.05 1.21 1.58 0.00 0.00 0.00 175.76 178.46 2kq2 n HIS 118 N -1.26 0.97 -0.23 0.00 -0.00 -1.26 -4.23 115.22 109.21 2kq2 n HIS 118 Ca -0.19 -0.77 -0.12 0.00 0.46 0.00 0.00 57.72 57.09 2kq2 n HIS 118 Cb 0.67 -0.42 0.11 0.00 -0.12 0.00 0.00 29.99 30.22 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 0.01 3.43 -4.60 0.26 2.88 -1.26 -4.91 113.62 109.44 2kq2 n SER 119 Ca 0.18 -2.87 -0.43 0.00 -1.33 0.00 0.00 58.87 54.42 2kq2 n SER 119 Cb 0.82 -0.68 -0.03 0.00 -0.75 0.00 0.00 64.21 63.57 2kq2 n SER 119 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2kq2 s GLY 120 N -0.29 0.77 0.95 0.46 0.00 -1.26 -4.98 107.32 102.98 2kq2 s GLY 120 Ca 0.32 0.28 -0.16 0.00 0.00 0.00 0.00 44.72 45.15 2kq2 s GLY 120 CO 0.06 3.29 1.21 0.70 0.00 0.00 0.00 173.10 178.37 2kq2 n ASN 121 N 10.37 -0.23 0.06 1.64 4.13 -1.26 -4.95 115.26 125.02 2kq2 n ASN 121 Ca 0.23 -1.40 -0.09 0.00 1.68 0.00 0.00 54.58 55.01 2kq2 n ASN 121 Cb 0.47 -0.95 -0.12 0.00 -1.54 0.00 0.00 39.78 37.63 2kq2 n ASN 121 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 2kq2 h GLU 122 N 0.00 0.04 -0.24 3.52 9.09 -1.99 -3.05 114.58 121.95 2kq2 h GLU 122 Ca -0.40 -0.08 -0.03 0.00 0.05 0.00 0.00 59.36 58.90 2kq2 h GLU 122 Cb 1.12 0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 28.24 2kq2 h GLU 122 CO 0.28 1.01 0.03 0.74 0.05 0.00 0.00 179.01 181.12 2kq2 h PHE 123 N 0.01 0.43 0.01 2.06 0.04 -1.98 -2.00 116.94 115.51 2kq2 h PHE 123 Ca -0.05 -0.06 -0.20 0.00 2.80 0.00 0.00 57.97 60.46 2kq2 h PHE 123 Cb 1.82 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 39.84 2kq2 h PHE 123 CO 0.01 0.54 -0.89 -2.95 -0.60 0.00 0.00 178.31 174.42 2kq2 h ASN 124 N 0.20 0.25 -0.52 2.17 -1.07 -1.86 -2.99 115.58 111.76 2kq2 h ASN 124 Ca 0.07 -0.20 -0.03 0.00 0.07 0.00 0.00 56.30 56.21 2kq2 h ASN 124 Cb 0.34 -0.08 -0.02 0.00 -2.07 0.00 0.00 38.32 36.50 2kq2 h ASN 124 CO 0.01 1.01 0.21 -0.78 0.07 0.00 0.00 177.43 177.95 2kq2 h ASP 125 N 0.10 0.71 -0.30 6.14 1.82 -1.48 0.42 116.42 123.84 2kq2 h ASP 125 Ca -0.04 -0.17 -0.01 0.00 -0.39 0.00 0.00 57.03 56.42 2kq2 h ASP 125 Cb 1.53 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 41.34 2kq2 h ASP 125 CO 0.13 0.68 0.15 0.22 -1.61 0.00 0.00 179.24 178.82 2kq2 h TYR 126 N 0.70 0.42 0.00 0.28 3.20 -1.35 -2.31 116.97 117.91 2kq2 h TYR 126 Ca 0.17 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 2kq2 h TYR 126 Cb 0.19 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2kq2 h TYR 126 CO 0.00 0.37 -0.33 -0.24 -1.64 0.00 0.00 178.16 176.32 2kq2 h VAL 127 N 0.36 0.63 -0.49 1.81 3.04 -1.44 -2.97 116.25 117.18 2kq2 h VAL 127 Ca 0.10 -1.67 -0.08 0.00 -1.01 0.00 0.00 66.70 64.05 2kq2 h VAL 127 Cb 0.10 2.14 -0.02 0.00 -2.01 0.00 0.00 31.29 31.50 2kq2 h VAL 127 CO -0.01 0.33 -0.00 -0.78 -1.01 0.00 0.00 177.57 176.09 2kq2 h ASP 128 N 0.00 0.78 -0.37 3.17 3.58 -0.58 -1.22 116.42 121.78 2kq2 h ASP 128 Ca -0.00 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.23 2kq2 h ASP 128 Cb 1.12 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.94 2kq2 h ASP 128 CO 0.04 0.85 0.15 0.24 -2.88 0.00 0.00 179.24 177.64 2kq2 h MET 129 N 0.76 0.55 -0.22 0.28 2.86 -1.28 -2.22 114.93 115.67 2kq2 h MET 129 Ca 0.15 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.73 2kq2 h MET 129 Cb 0.46 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.99 2kq2 h MET 129 CO 0.02 0.53 -0.05 0.87 1.06 0.00 0.00 176.91 179.35 2kq2 h LYS 130 N 0.45 0.01 0.10 1.72 1.79 -1.29 -1.08 116.57 118.27 2kq2 h LYS 130 Ca 0.12 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 2kq2 h LYS 130 Cb 0.19 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2kq2 h LYS 130 CO -0.01 0.00 -0.05 0.00 -1.08 0.00 0.00 179.45 178.31 2kq2 h ALA 131 N 1.22 -0.14 -0.04 3.86 0.00 -1.20 -3.15 119.26 119.82 2kq2 h ALA 131 Ca 0.11 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2kq2 h ALA 131 Cb 0.16 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kq2 h ALA 131 CO -0.22 -0.41 -0.33 0.87 0.00 0.00 0.00 179.25 179.16 2kq2 h LYS 132 N -0.48 0.07 -0.07 0.00 1.57 -1.34 -1.88 116.57 114.43 2kq2 h LYS 132 Ca -0.01 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 2kq2 h LYS 132 Cb 0.40 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2kq2 h LYS 132 CO 0.02 0.39 -0.17 1.03 -0.57 0.00 0.00 179.45 180.16 2kq2 h SER 133 N 0.06 0.10 0.55 0.86 0.87 -1.20 -1.16 113.55 113.63 2kq2 h SER 133 Ca 0.01 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2kq2 h SER 133 Cb 0.62 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2kq2 h SER 133 CO 0.05 0.29 0.00 0.00 -0.53 0.00 0.00 176.83 176.63 2kq2 n ALA 134 N -2.50 2.12 1.17 6.23 0.00 -0.71 -2.10 120.51 124.72 2kq2 n ALA 134 Ca -0.02 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.45 2kq2 n ALA 134 Cb 0.27 -1.37 0.24 0.00 0.00 0.00 0.00 19.45 18.59 2kq2 n ALA 134 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kq2 n LEU 135 N -1.36 2.37 0.00 0.00 7.99 -0.44 -4.94 117.00 120.62 2kq2 n LEU 135 Ca 0.09 -0.79 0.00 0.00 -0.01 0.00 0.00 56.01 55.30 2kq2 n LEU 135 Cb 0.21 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.51 2kq2 n LEU 135 CO 0.19 0.40 0.00 0.61 -1.51 0.00 0.00 177.39 177.07 2kq2 n GLY 136 N 1.30 0.78 3.75 -0.72 0.00 -0.89 -5.02 105.19 104.40 2kq2 n GLY 136 Ca 0.15 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2kq2 n GLY 136 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kq2 s ILE 137 N -2.00 2.04 -0.95 -0.61 2.07 -1.21 -2.80 121.20 117.74 2kq2 s ILE 137 Ca 0.00 0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.26 2kq2 s ILE 137 Cb 0.00 -3.02 -0.03 0.00 0.13 0.00 0.00 42.46 39.54 2kq2 s ILE 137 CO 0.00 0.01 0.81 -1.14 -1.91 0.00 0.00 174.94 172.71 2kq2 n ARG 138 N 1.95 -3.96 -1.62 3.50 0.63 -1.26 -4.92 116.66 110.98 2kq2 n ARG 138 Ca 0.07 0.72 -0.34 0.00 -0.92 0.00 0.00 57.85 57.39 2kq2 n ARG 138 Cb 0.38 -5.25 0.07 0.00 0.45 0.00 0.00 32.46 28.10 2kq2 n ARG 138 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2kq2 s ASP 139 N -3.79 4.71 0.03 6.15 2.15 -1.12 -4.96 116.67 119.84 2kq2 s ASP 139 Ca 0.17 2.15 0.24 0.00 0.43 0.00 0.00 52.55 55.55 2kq2 s ASP 139 Cb -0.02 -2.57 0.35 0.00 -0.30 0.00 0.00 42.92 40.38 2kq2 s ASP 139 CO 0.62 -1.91 1.30 0.18 -0.17 0.00 0.00 175.17 175.19 2kq2 n LEU 140 N -2.55 0.59 -0.07 -1.34 7.99 -1.26 -4.25 117.00 116.12 2kq2 n LEU 140 Ca 0.12 0.01 -0.09 0.00 -0.01 0.00 0.00 56.01 56.03 2kq2 n LEU 140 Cb 0.51 -0.19 -0.07 0.00 -0.11 0.00 0.00 43.42 43.56 2kq2 n LEU 140 CO 0.48 0.09 -0.96 1.21 -1.51 0.00 0.00 177.39 176.69 2kq2 n GLU 141 N -1.69 0.65 -1.97 3.23 4.07 -1.26 -4.89 120.64 118.77 2kq2 n GLU 141 Ca 0.04 0.07 -0.38 0.00 -0.06 0.00 0.00 57.16 56.84 2kq2 n GLU 141 Cb 0.37 -1.29 -0.03 0.00 -0.06 0.00 0.00 31.44 30.43 2kq2 n GLU 141 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2kq2 s HIS 142 N -2.29 1.58 0.40 4.31 2.46 -1.26 -4.94 115.29 115.55 2kq2 s HIS 142 Ca -0.18 0.89 0.07 0.00 0.47 0.00 0.00 55.06 56.32 2kq2 s HIS 142 Cb 0.05 -4.02 -0.06 0.00 -0.13 0.00 0.00 32.58 28.42 2kq2 s HIS 142 CO 0.36 -2.32 0.09 -1.01 -2.47 0.00 0.00 174.74 169.39 2kq2 s HIS 143 N 9.57 2.56 -0.30 3.88 3.76 -1.26 -4.76 115.29 128.74 2kq2 s HIS 143 Ca 0.71 -0.60 -0.09 0.00 -0.15 0.00 0.00 55.06 54.94 2kq2 s HIS 143 Cb -0.13 -1.82 0.18 0.00 1.11 0.00 0.00 32.58 31.92 2kq2 s HIS 143 CO 0.21 0.33 0.93 -1.58 -0.85 0.00 0.00 174.74 173.78 2kq2 s HIS 144 N -2.63 -0.82 0.14 1.40 2.46 -1.26 -5.18 115.29 109.41 2kq2 s HIS 144 Ca 0.38 0.72 0.11 0.00 0.47 0.00 0.00 55.06 56.74 2kq2 s HIS 144 Cb 0.06 0.23 -0.04 0.00 -0.13 0.00 0.00 32.58 32.70 2kq2 s HIS 144 CO 0.20 -0.46 -0.24 -3.38 -2.47 0.00 0.00 174.74 168.39 2kq2 s HIS 145 N 2.93 2.36 -0.10 3.88 -3.43 -1.26 -5.13 115.29 114.54 2kq2 s HIS 145 Ca 0.10 -0.35 0.00 0.00 -0.80 0.00 0.00 55.06 54.02 2kq2 s HIS 145 Cb -0.09 -1.25 0.02 0.00 -1.43 0.00 0.00 32.58 29.84 2kq2 s HIS 145 CO -0.17 0.39 -0.09 -1.58 -2.00 0.00 0.00 174.74 171.29 2kq2 s HIS 146 N -1.22 1.49 0.00 0.38 2.46 -1.26 -5.37 115.29 111.77 2kq2 s HIS 146 Ca 0.16 -0.69 0.00 0.00 0.47 0.00 0.00 55.06 55.00 2kq2 s HIS 146 Cb -0.10 -1.19 0.00 0.00 -0.13 0.00 0.00 32.58 31.16 2kq2 s HIS 146 CO 0.08 -0.45 0.40 1.58 -2.47 0.00 0.00 174.74 173.88