#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 6.28 -0.80 6.12 2.15 -1.26 -4.99 116.67 124.16 2kq2 s ASP 2 Ca 0.00 -3.38 -0.07 0.00 0.43 0.00 0.00 52.55 49.53 2kq2 s ASP 2 Cb 0.00 -2.01 0.21 0.00 -0.30 0.00 0.00 42.92 40.81 2kq2 s ASP 2 CO 0.00 -0.30 0.70 -1.81 -0.17 0.00 0.00 175.17 173.59 2kq2 s ASP 3 N 0.70 6.16 0.00 -0.34 1.11 -1.26 -4.79 116.67 118.25 2kq2 s ASP 3 Ca 0.25 -3.04 0.16 0.00 0.18 0.00 0.00 52.55 50.09 2kq2 s ASP 3 Cb -0.11 -2.03 0.34 0.00 1.07 0.00 0.00 42.92 42.19 2kq2 s ASP 3 CO -0.09 -0.40 1.26 0.54 1.18 0.00 0.00 175.17 177.66 2kq2 n ARG 4 N 3.35 2.31 -4.33 8.23 1.74 -1.26 -4.94 116.66 121.77 2kq2 n ARG 4 Ca 0.14 -2.03 -0.34 0.00 -0.77 0.00 0.00 57.85 54.85 2kq2 n ARG 4 Cb 0.41 -1.36 -0.12 0.00 -1.02 0.00 0.00 32.46 30.36 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 -1.11 3.83 -0.37 0.55 -1.32 -1.26 -4.80 115.64 111.16 2kq2 s THR 5 Ca 0.29 -0.37 -0.15 0.00 -1.21 0.00 0.00 61.69 60.24 2kq2 s THR 5 Cb 0.16 -2.69 0.02 0.00 -1.51 0.00 0.00 72.50 68.48 2kq2 s THR 5 CO 0.22 0.48 0.43 -0.62 -2.21 0.00 0.00 174.62 172.92 2kq2 n GLU 6 N 3.75 -2.40 -2.70 7.08 -0.58 -1.21 -4.92 120.64 119.66 2kq2 n GLU 6 Ca -0.17 2.05 -0.42 0.00 -0.42 0.00 0.00 57.16 58.20 2kq2 n GLU 6 Cb 0.52 -4.61 -0.03 0.00 -0.57 0.00 0.00 31.44 26.75 2kq2 n GLU 6 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2kq2 s TYR 7 N -2.06 3.62 -0.48 -0.32 2.02 -0.74 -4.97 117.35 114.43 2kq2 s TYR 7 Ca 0.20 1.67 -0.23 0.00 -0.37 0.00 0.00 57.07 58.33 2kq2 s TYR 7 Cb -0.04 -3.14 0.03 0.00 -0.40 0.00 0.00 41.96 38.41 2kq2 s TYR 7 CO 0.73 -0.09 0.81 -0.51 -1.57 0.00 0.00 175.55 174.93 2kq2 s ASP 8 N 1.03 6.39 -0.19 2.29 1.01 -1.26 -1.02 116.67 124.92 2kq2 s ASP 8 Ca 0.51 -0.21 -0.01 0.00 0.71 0.00 0.00 52.55 53.55 2kq2 s ASP 8 Cb -0.20 -2.39 0.05 0.00 1.01 0.00 0.00 42.92 41.38 2kq2 s ASP 8 CO 0.26 -0.99 -0.03 -0.69 0.21 0.00 0.00 175.17 173.93 2kq2 s VAL 9 N 3.40 1.09 0.42 -1.27 1.01 -1.26 -3.44 120.40 120.35 2kq2 s VAL 9 Ca 0.29 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.55 2kq2 s VAL 9 Cb -0.13 -1.37 -0.07 0.00 0.00 0.00 0.00 36.38 34.82 2kq2 s VAL 9 CO 0.21 -0.01 0.02 -0.72 0.00 0.00 0.00 175.10 174.60 2kq2 s TYR 10 N 1.62 2.33 -0.18 5.22 -0.85 -1.26 -4.52 117.35 119.72 2kq2 s TYR 10 Ca -0.02 -0.76 -0.20 0.00 -0.52 0.00 0.00 57.07 55.57 2kq2 s TYR 10 Cb -0.17 -1.68 0.05 0.00 0.38 0.00 0.00 41.96 40.54 2kq2 s TYR 10 CO -0.07 0.35 0.54 -0.08 -1.52 0.00 0.00 175.55 174.77 2kq2 s THR 11 N -2.81 0.00 0.54 -3.49 -1.32 -1.26 -3.76 115.64 103.54 2kq2 s THR 11 Ca 0.30 -0.04 -0.16 0.00 -1.21 0.00 0.00 61.69 60.58 2kq2 s THR 11 Cb 0.08 -0.78 -0.06 0.00 -1.51 0.00 0.00 72.50 70.23 2kq2 s THR 11 CO 0.15 -0.02 1.01 -0.62 -2.21 0.00 0.00 174.62 172.93 2kq2 s ASP 12 N 0.01 6.30 -0.04 8.08 2.15 -1.26 -4.93 116.67 126.99 2kq2 s ASP 12 Ca -0.02 1.67 0.06 0.00 0.43 0.00 0.00 52.55 54.69 2kq2 s ASP 12 Cb -0.04 -2.52 0.09 0.00 -0.30 0.00 0.00 42.92 40.16 2kq2 s ASP 12 CO 0.02 -0.81 0.96 0.61 -0.17 0.00 0.00 175.17 175.78 2kq2 n GLY 13 N -1.31 1.74 3.60 2.66 0.00 -1.26 -4.89 105.19 105.73 2kq2 n GLY 13 Ca 0.07 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 2kq2 n GLY 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kq2 s SER 14 N -1.41 6.39 -0.03 1.61 1.04 -1.26 -5.05 113.70 114.99 2kq2 s SER 14 Ca 0.10 0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.90 2kq2 s SER 14 Cb 0.09 -2.28 -0.03 0.00 0.10 0.00 0.00 66.02 63.90 2kq2 s SER 14 CO 0.01 -0.35 -0.02 -0.72 0.98 0.00 0.00 173.24 173.14 2kq2 s TYR 15 N 2.34 3.04 -0.01 5.02 1.13 -1.26 -4.95 117.35 122.67 2kq2 s TYR 15 Ca 0.20 0.08 0.02 0.00 -1.41 0.00 0.00 57.07 55.96 2kq2 s TYR 15 Cb -0.15 -1.69 -0.01 0.00 -1.10 0.00 0.00 41.96 39.01 2kq2 s TYR 15 CO 0.11 0.43 -0.07 0.54 -2.51 0.00 0.00 175.55 174.04 2kq2 s VAL 16 N -0.99 0.59 -1.83 -3.49 0.11 -0.95 -4.75 120.40 109.09 2kq2 s VAL 16 Ca 0.17 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 2kq2 s VAL 16 Cb -0.11 -0.50 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 2kq2 s VAL 16 CO 0.07 0.17 0.00 0.59 -3.33 0.00 0.00 175.10 172.60 2kq2 n ASN 17 N 2.91 -5.56 -0.28 3.54 3.02 -1.26 -0.51 115.26 117.12 2kq2 n ASN 17 Ca -0.13 0.16 -0.04 0.00 -0.03 0.00 0.00 54.58 54.54 2kq2 n ASN 17 Cb 0.57 -4.72 -0.02 0.00 -0.61 0.00 0.00 39.78 35.01 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 -0.80 0.58 3.71 7.41 0.00 -1.26 -5.00 105.19 109.83 2kq2 n GLY 18 Ca -0.23 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.66 3.11 0.05 1.61 -0.21 0.34 -5.11 119.66 117.79 2kq2 s GLN 19 Ca 0.00 -0.36 -0.05 0.00 0.02 0.00 0.00 55.36 54.97 2kq2 s GLN 19 Cb 0.00 -2.87 -0.02 0.00 1.00 0.00 0.00 33.01 31.12 2kq2 s GLN 19 CO 0.00 0.69 0.07 1.52 -2.12 0.00 0.00 175.29 175.45 2kq2 s TYR 20 N -0.83 0.29 0.22 0.91 1.13 -1.26 -2.23 117.35 115.57 2kq2 s TYR 20 Ca 0.13 -0.69 -0.08 0.00 -1.41 0.00 0.00 57.07 55.02 2kq2 s TYR 20 Cb -0.12 -0.20 -0.02 0.00 -1.10 0.00 0.00 41.96 40.53 2kq2 s TYR 20 CO 0.02 -0.40 0.31 0.00 -2.51 0.00 0.00 175.55 172.97 2kq2 s ALA 21 N -3.25 0.35 -0.15 9.51 0.00 -1.26 -4.87 121.76 122.08 2kq2 s ALA 21 Ca 0.01 -1.20 -0.14 0.00 0.00 0.00 0.00 51.96 50.62 2kq2 s ALA 21 Cb 0.03 1.16 -0.05 0.00 0.00 0.00 0.00 23.12 24.27 2kq2 s ALA 21 CO -0.08 -0.72 0.31 1.67 0.00 0.00 0.00 175.76 176.94 2kq2 s TRP 22 N -4.07 3.49 -0.01 0.00 1.48 -0.85 -4.96 118.94 114.01 2kq2 s TRP 22 Ca 0.28 0.64 0.01 0.00 -1.06 0.00 0.00 56.10 55.97 2kq2 s TRP 22 Cb 0.03 -2.34 0.01 0.00 -1.16 0.00 0.00 33.47 30.00 2kq2 s TRP 22 CO 0.09 0.27 -0.02 0.00 -4.06 0.00 0.00 176.95 173.23 2kq2 s ALA 23 N 0.34 0.28 -0.01 2.67 0.00 -1.26 -1.66 121.76 122.12 2kq2 s ALA 23 Ca 0.18 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.11 2kq2 s ALA 23 Cb -0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.84 2kq2 s ALA 23 CO 0.05 0.02 -0.06 0.71 0.00 0.00 0.00 175.76 176.48 2kq2 s TYR 24 N 0.27 0.56 -0.11 0.00 2.02 0.33 -4.37 117.35 116.06 2kq2 s TYR 24 Ca -0.02 -0.11 -0.03 0.00 -0.37 0.00 0.00 57.07 56.54 2kq2 s TYR 24 Cb -0.05 -0.39 0.04 0.00 -0.40 0.00 0.00 41.96 41.16 2kq2 s TYR 24 CO -0.01 -0.03 0.05 0.00 -1.57 0.00 0.00 175.55 173.99 2kq2 s ALA 25 N -0.01 0.55 -0.48 3.71 0.00 -1.25 -1.25 121.76 123.04 2kq2 s ALA 25 Ca 0.01 -0.19 -0.25 0.00 0.00 0.00 0.00 51.96 51.53 2kq2 s ALA 25 Cb -0.04 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.25 2kq2 s ALA 25 CO -0.00 -0.78 0.93 -0.06 0.00 0.00 0.00 175.76 175.86 2kq2 s PHE 26 N 2.05 2.89 -0.21 0.00 0.40 0.17 -4.06 117.98 119.21 2kq2 s PHE 26 Ca 0.03 0.32 -0.05 0.00 -0.60 0.00 0.00 56.93 56.63 2kq2 s PHE 26 Cb -0.14 -4.00 -0.02 0.00 0.51 0.00 0.00 43.02 39.36 2kq2 s PHE 26 CO -0.06 -1.15 0.01 0.54 0.70 0.00 0.00 175.22 175.26 2kq2 s VAL 27 N 3.82 3.96 -0.04 -0.44 0.11 -1.22 -1.08 120.40 125.50 2kq2 s VAL 27 Ca 0.36 -0.30 0.04 0.00 -2.93 0.00 0.00 61.98 59.15 2kq2 s VAL 27 Cb -0.10 -2.81 -0.00 0.00 -1.53 0.00 0.00 36.38 31.94 2kq2 s VAL 27 CO 0.25 0.41 -0.15 -0.54 -3.33 0.00 0.00 175.10 171.74 2kq2 s LYS 28 N 1.21 1.58 -0.70 1.54 -0.14 0.91 -4.27 119.74 119.87 2kq2 s LYS 28 Ca 0.03 -0.53 0.00 0.00 -1.36 0.00 0.00 55.97 54.12 2kq2 s LYS 28 Cb -0.15 -1.39 0.00 0.00 -1.68 0.00 0.00 37.83 34.62 2kq2 s LYS 28 CO 0.01 0.20 0.00 -0.25 -0.76 0.00 0.00 175.35 174.56 2kq2 n ASP 29 N 3.21 -4.82 0.00 2.83 8.00 -1.26 -0.79 116.55 123.72 2kq2 n ASP 29 Ca -0.18 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.48 2kq2 n ASP 29 Cb 0.53 -2.90 0.00 0.00 -0.02 0.00 0.00 41.12 38.73 2kq2 n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kq2 n GLY 30 N -0.82 0.83 3.62 0.44 0.00 -1.26 -5.04 105.19 102.95 2kq2 n GLY 30 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.34 2.71 -0.25 1.61 -0.14 0.03 -5.08 119.74 118.28 2kq2 s LYS 31 Ca 0.00 -0.61 -0.21 0.00 -1.36 0.00 0.00 55.97 53.80 2kq2 s LYS 31 Cb 0.00 -2.60 -0.02 0.00 -1.68 0.00 0.00 37.83 33.54 2kq2 s LYS 31 CO 0.00 0.64 0.65 0.08 -0.76 0.00 0.00 175.35 175.95 2kq2 s VAL 32 N -0.93 4.97 -0.18 3.17 1.01 -1.26 -0.06 120.40 127.12 2kq2 s VAL 32 Ca 0.15 1.17 0.09 0.00 0.00 0.00 0.00 61.98 63.40 2kq2 s VAL 32 Cb -0.11 -3.95 -0.17 0.00 0.00 0.00 0.00 36.38 32.15 2kq2 s VAL 32 CO 0.05 0.02 -0.04 1.41 0.00 0.00 0.00 175.10 176.55 2kq2 n HIS 33 N 5.70 0.00 -5.04 5.22 8.25 -0.24 -4.97 115.22 124.14 2kq2 n HIS 33 Ca -0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 2kq2 n HIS 33 Cb 0.49 -0.80 -0.15 0.00 1.12 0.00 0.00 29.99 30.64 2kq2 n HIS 33 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2kq2 s TYR 34 N -2.40 2.02 -0.14 4.41 2.02 -1.17 -4.99 117.35 117.11 2kq2 s TYR 34 Ca -0.16 -0.38 -0.09 0.00 -0.37 0.00 0.00 57.07 56.06 2kq2 s TYR 34 Cb 0.06 -1.28 0.05 0.00 -0.40 0.00 0.00 41.96 40.38 2kq2 s TYR 34 CO 0.59 -0.00 0.35 -1.83 -1.57 0.00 0.00 175.55 173.09 2kq2 s GLU 35 N -0.67 0.36 0.07 -0.62 -1.05 -1.26 -0.66 118.70 114.86 2kq2 s GLU 35 Ca 0.09 0.62 -0.26 0.00 -0.15 0.00 0.00 54.97 55.26 2kq2 s GLU 35 Cb -0.09 0.04 0.09 0.00 -0.44 0.00 0.00 34.13 33.73 2kq2 s GLU 35 CO -0.00 -0.12 0.77 0.34 0.95 0.00 0.00 175.26 177.20 2kq2 s ASP 36 N 0.91 -0.45 -0.28 0.83 2.15 -0.38 -5.02 116.67 114.43 2kq2 s ASP 36 Ca -0.06 -0.01 -0.25 0.00 0.43 0.00 0.00 52.55 52.66 2kq2 s ASP 36 Cb -0.07 0.48 0.13 0.00 -0.30 0.00 0.00 42.92 43.16 2kq2 s ASP 36 CO -0.07 -0.77 1.09 0.00 -0.17 0.00 0.00 175.17 175.25 2kq2 s ALA 37 N -3.39 -2.01 0.35 3.66 0.00 -1.26 -0.51 121.76 118.60 2kq2 s ALA 37 Ca 0.03 1.84 -0.16 0.00 0.00 0.00 0.00 51.96 53.67 2kq2 s ALA 37 Cb -0.01 -1.48 0.04 0.00 0.00 0.00 0.00 23.12 21.68 2kq2 s ALA 37 CO -0.10 -0.22 0.75 0.34 0.00 0.00 0.00 175.76 176.53 2kq2 s ASP 38 N 0.17 -0.01 0.19 0.00 -1.08 -0.66 -4.76 116.67 110.51 2kq2 s ASP 38 Ca 0.04 -1.03 0.11 0.00 -0.52 0.00 0.00 52.55 51.15 2kq2 s ASP 38 Cb -0.05 0.81 -0.04 0.00 -1.46 0.00 0.00 42.92 42.17 2kq2 s ASP 38 CO -0.07 -1.57 -0.23 -0.69 0.52 0.00 0.00 175.17 173.12 2kq2 s VAL 39 N -2.79 2.28 0.00 1.11 1.01 -1.26 -2.01 120.40 118.74 2kq2 s VAL 39 Ca 0.15 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 60.12 2kq2 s VAL 39 Cb -0.05 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.25 2kq2 s VAL 39 CO 0.11 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.68 2kq2 n GLY 40 N 0.28 1.55 2.72 4.51 0.00 -1.26 -5.04 105.19 107.95 2kq2 n GLY 40 Ca -0.13 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 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 -5.08 0.67 0.27 1.61 1.02 -1.26 -5.02 119.74 111.96 2kq2 s LYS 41 Ca 0.00 -0.83 0.12 0.00 0.02 0.00 0.00 55.97 55.28 2kq2 s LYS 41 Cb 0.00 -1.95 -0.05 0.00 -0.52 0.00 0.00 37.83 35.31 2kq2 s LYS 41 CO 0.00 -0.88 -0.20 -0.80 -0.92 0.00 0.00 175.35 172.55 2kq2 s ASN 42 N 1.73 3.58 0.42 2.83 0.01 -1.26 -5.01 114.94 117.23 2kq2 s ASN 42 Ca 0.06 -1.02 0.12 0.00 -0.71 0.00 0.00 52.86 51.31 2kq2 s ASN 42 Cb -0.17 -0.30 0.96 0.00 0.41 0.00 0.00 41.25 42.15 2kq2 s ASN 42 CO -0.21 0.05 1.98 1.55 -1.51 0.00 0.00 177.10 178.96 2kq2 h PRO 43 N 2.34 0.47 0.00 -0.60 0.13 -2.03 0.81 132.00 133.13 2kq2 h PRO 43 Ca -0.40 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2kq2 h PRO 43 Cb 1.26 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kq2 h PRO 43 CO 0.59 0.31 0.00 0.00 -0.23 0.00 0.00 178.00 178.67 2kq2 n ALA 44 N -2.50 2.15 1.10 -0.56 0.00 -1.26 -2.99 120.51 116.46 2kq2 n ALA 44 Ca 0.09 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.59 2kq2 n ALA 44 Cb 0.31 -1.43 0.32 0.00 0.00 0.00 0.00 19.45 18.65 2kq2 n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kq2 n ALA 45 N -1.65 2.50 0.22 0.00 0.00 0.28 -3.77 120.51 118.09 2kq2 n ALA 45 Ca 0.05 -0.57 0.06 0.00 0.00 0.00 0.00 53.44 52.99 2kq2 n ALA 45 Cb 0.34 -1.05 0.51 0.00 0.00 0.00 0.00 19.45 19.25 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 3.99 1.50 0.04 0.00 0.00 -1.56 -3.04 119.26 120.18 2kq2 h ALA 46 Ca 0.00 -0.20 -0.34 0.00 0.00 0.00 0.00 54.91 54.36 2kq2 h ALA 46 Cb 0.51 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2kq2 h ALA 46 CO 0.00 0.28 -1.94 2.41 0.00 0.00 0.00 179.25 180.00 2kq2 n THR 47 N -4.08 1.60 0.00 0.00 -1.04 -1.25 -4.67 114.28 104.85 2kq2 n THR 47 Ca -0.02 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.62 2kq2 n THR 47 Cb 0.29 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 66.98 2kq2 n THR 47 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 2kq2 n MET 48 N -3.93 0.00 -0.43 -2.82 1.56 -1.15 -3.77 117.12 106.57 2kq2 n MET 48 Ca -0.39 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.04 2kq2 n MET 48 Cb 0.88 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.25 2kq2 n MET 48 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 2kq2 n ARG 49 N 0.00 0.00 0.26 2.12 0.63 -1.26 -4.98 116.66 113.43 2kq2 n ARG 49 Ca 0.00 0.00 0.18 0.00 -0.92 0.00 0.00 57.85 57.11 2kq2 n ARG 49 Cb 0.00 0.00 0.91 0.00 0.45 0.00 0.00 32.46 33.82 2kq2 n ARG 49 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 2kq2 h ASN 50 N 0.00 0.00 -0.94 6.15 4.21 -2.03 -2.09 115.58 120.88 2kq2 h ASN 50 Ca 0.00 0.00 0.23 0.00 1.21 0.00 0.00 56.30 57.74 2kq2 h ASN 50 Cb 0.00 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.13 2kq2 h ASN 50 CO 0.00 0.00 0.62 0.58 -1.29 0.00 0.00 177.43 177.34 2kq2 h VAL 51 N 0.00 0.63 -0.84 2.81 2.07 -1.94 -0.29 116.25 118.69 2kq2 h VAL 51 Ca 0.05 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.48 2kq2 h VAL 51 Cb 0.45 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 2kq2 h VAL 51 CO -0.00 0.06 0.55 0.00 0.02 0.00 0.00 177.57 178.21 2kq2 h ALA 52 N 1.60 1.47 -0.07 1.67 0.00 -1.47 0.14 119.26 122.60 2kq2 h ALA 52 Ca 0.49 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.18 2kq2 h ALA 52 Cb 1.32 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2kq2 h ALA 52 CO -0.18 0.46 -0.73 0.78 0.00 0.00 0.00 179.25 179.58 2kq2 h GLY 53 N 1.06 0.41 0.95 0.00 0.00 -1.27 -2.36 103.07 101.87 2kq2 h GLY 53 Ca 0.33 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 2kq2 h GLY 53 CO -0.09 0.53 -0.21 0.83 0.00 0.00 0.00 176.54 177.59 2kq2 h GLU 54 N 0.25 0.69 -0.07 4.80 5.08 -0.94 -1.93 114.58 122.46 2kq2 h GLU 54 Ca -0.03 -0.33 -0.11 0.00 -1.00 0.00 0.00 59.36 57.89 2kq2 h GLU 54 Cb 1.31 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2kq2 h GLU 54 CO 0.12 0.93 -0.47 -0.84 -1.00 0.00 0.00 179.01 177.76 2kq2 h ILE 55 N 0.44 1.34 -0.52 3.13 3.07 -0.84 -2.49 117.51 121.65 2kq2 h ILE 55 Ca 0.06 -1.65 -0.04 0.00 1.55 0.00 0.00 64.86 64.78 2kq2 h ILE 55 Cb 0.76 1.81 -0.02 0.00 -0.27 0.00 0.00 36.82 39.09 2kq2 h ILE 55 CO 0.06 0.48 0.15 0.00 -1.05 0.00 0.00 178.15 177.80 2kq2 h ALA 56 N 1.39 1.30 -0.42 0.16 0.00 -1.22 0.43 119.26 120.89 2kq2 h ALA 56 Ca 0.01 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 2kq2 h ALA 56 Cb 0.88 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2kq2 h ALA 56 CO 0.07 0.50 -0.10 0.00 0.00 0.00 0.00 179.25 179.72 2kq2 h ALA 57 N 1.42 1.04 0.00 0.00 0.00 -0.93 -2.32 119.26 118.46 2kq2 h ALA 57 Ca 0.17 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2kq2 h ALA 57 Cb 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2kq2 h ALA 57 CO -0.01 0.59 -0.42 0.00 0.00 0.00 0.00 179.25 179.41 2kq2 h ALA 58 N 1.21 1.00 -0.30 0.00 0.00 -0.98 -2.91 119.26 117.28 2kq2 h ALA 58 Ca 0.12 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 2kq2 h ALA 58 Cb 0.56 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2kq2 h ALA 58 CO 0.03 0.52 -0.05 1.25 0.00 0.00 0.00 179.25 181.01 2kq2 h LEU 59 N 0.00 0.45 -1.42 0.00 5.85 -0.37 -1.61 115.31 118.21 2kq2 h LEU 59 Ca -0.00 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 2kq2 h LEU 59 Cb 0.93 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 2kq2 h LEU 59 CO 0.05 0.55 0.01 1.88 -0.34 0.00 0.00 178.44 180.60 2kq2 h TYR 60 N 0.45 0.40 -0.36 1.25 0.05 -1.31 0.04 116.97 117.48 2kq2 h TYR 60 Ca 0.09 -0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.70 2kq2 h TYR 60 Cb 0.37 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 2kq2 h TYR 60 CO 0.01 0.39 -0.36 0.00 -1.05 0.00 0.00 178.16 177.16 2kq2 h ALA 61 N 1.64 0.68 -0.58 3.88 0.00 -1.37 -1.59 119.26 121.91 2kq2 h ALA 61 Ca 0.09 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 2kq2 h ALA 61 Cb 0.24 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2kq2 h ALA 61 CO 0.00 0.67 0.05 0.28 0.00 0.00 0.00 179.25 180.25 2kq2 h VAL 62 N 0.70 1.26 -0.50 0.00 2.07 -0.91 0.23 116.25 119.10 2kq2 h VAL 62 Ca 0.06 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 2kq2 h VAL 62 Cb 0.93 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2kq2 h VAL 62 CO 0.09 0.38 0.12 0.50 0.02 0.00 0.00 177.57 178.67 2kq2 h LYS 63 N 0.91 0.76 -0.05 1.57 3.11 -0.78 -2.55 116.57 119.53 2kq2 h LYS 63 Ca 0.17 -0.15 -0.25 0.00 -2.81 0.00 0.00 60.65 57.61 2kq2 h LYS 63 Cb 0.47 -0.12 0.02 0.00 -1.00 0.00 0.00 32.23 31.60 2kq2 h LYS 63 CO 0.02 0.69 -0.96 0.87 -2.81 0.00 0.00 179.45 177.26 2kq2 h LYS 64 N 0.73 0.72 -0.81 1.90 1.57 -0.88 -3.34 116.57 116.45 2kq2 h LYS 64 Ca 0.16 -0.71 0.14 0.00 -1.87 0.00 0.00 60.65 58.37 2kq2 h LYS 64 Cb 0.28 0.19 -0.06 0.00 0.08 0.00 0.00 32.23 32.72 2kq2 h LYS 64 CO -0.00 1.30 0.53 0.00 -0.57 0.00 0.00 179.45 180.71 2kq2 h ALA 65 N 0.47 1.96 0.00 3.86 0.00 -0.13 0.54 119.26 125.97 2kq2 h ALA 65 Ca -0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2kq2 h ALA 65 Cb 1.61 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2kq2 h ALA 65 CO 0.19 -0.18 -0.07 1.03 0.00 0.00 0.00 179.25 180.22 2kq2 h SER 66 N 0.56 0.00 1.47 0.00 0.87 -1.65 0.19 113.55 114.98 2kq2 h SER 66 Ca 0.40 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.89 2kq2 h SER 66 Cb 0.76 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 2kq2 h SER 66 CO -0.16 0.07 -0.55 1.56 -0.53 0.00 0.00 176.83 177.23 2kq2 h GLN 67 N 0.00 0.00 0.00 2.24 4.20 -1.09 -3.18 115.11 117.28 2kq2 h GLN 67 Ca -0.00 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 2kq2 h GLN 67 Cb 0.13 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2kq2 h GLN 67 CO 0.01 0.29 -1.12 -0.07 -0.67 0.00 0.00 178.83 177.26 2kq2 h LEU 68 N 0.00 0.00 0.00 1.46 4.07 -1.06 -3.48 115.31 116.30 2kq2 h LEU 68 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2kq2 h LEU 68 Cb 1.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.01 2kq2 h LEU 68 CO 0.04 0.52 0.00 0.61 -1.08 0.00 0.00 178.44 178.53 2kq2 n GLY 69 N 1.33 0.76 3.72 0.83 0.00 0.54 -5.07 105.19 107.30 2kq2 n GLY 69 Ca -0.06 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.13 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 4.09 0.49 1.61 -7.23 -0.88 -5.03 120.40 111.45 2kq2 s VAL 70 Ca 0.00 -1.19 0.04 0.00 -1.81 0.00 0.00 61.98 59.01 2kq2 s VAL 70 Cb 0.00 -3.05 -0.02 0.00 0.56 0.00 0.00 36.38 33.88 2kq2 s VAL 70 CO 0.00 -0.06 0.11 -0.54 -0.31 0.00 0.00 175.10 174.30 2kq2 s LYS 71 N -2.87 2.18 0.25 4.82 3.01 -1.26 -4.37 119.74 121.50 2kq2 s LYS 71 Ca 0.29 -2.21 0.09 0.00 -1.01 0.00 0.00 55.97 53.12 2kq2 s LYS 71 Cb -0.10 -1.72 -0.05 0.00 -1.01 0.00 0.00 37.83 34.94 2kq2 s LYS 71 CO 0.20 -0.34 -0.14 0.96 0.51 0.00 0.00 175.35 176.54 2kq2 s ILE 72 N -2.80 1.97 -0.63 2.17 -4.36 -0.17 -1.78 121.20 115.60 2kq2 s ILE 72 Ca 0.20 -2.26 -0.27 0.00 -0.26 0.00 0.00 60.65 58.06 2kq2 s ILE 72 Cb 0.02 -2.23 0.01 0.00 1.25 0.00 0.00 42.46 41.52 2kq2 s ILE 72 CO 0.11 -0.46 1.45 -0.60 0.24 0.00 0.00 174.94 175.68 2kq2 s ARG 73 N -3.62 3.15 0.10 0.37 3.00 -0.19 -4.74 118.95 117.03 2kq2 s ARG 73 Ca 0.27 0.26 -0.27 0.00 -1.00 0.00 0.00 55.73 54.98 2kq2 s ARG 73 Cb -0.01 -4.19 -0.06 0.00 0.00 0.00 0.00 34.95 30.69 2kq2 s ARG 73 CO 0.11 -2.14 0.84 -1.50 0.00 0.00 0.00 175.30 172.61 2kq2 s ILE 74 N 6.47 4.53 0.00 4.11 1.10 -1.26 -4.26 121.20 131.89 2kq2 s ILE 74 Ca 0.49 1.82 0.00 0.00 -0.51 0.00 0.00 60.65 62.45 2kq2 s ILE 74 Cb -0.10 -4.20 0.00 0.00 0.15 0.00 0.00 42.46 38.31 2kq2 s ILE 74 CO 0.21 0.39 0.00 0.00 -2.11 0.00 0.00 174.94 173.43 2kq2 n LEU 75 N 2.46 0.00 -4.37 8.50 -0.00 -1.26 -4.99 117.00 117.34 2kq2 n LEU 75 Ca -0.02 0.00 -0.46 0.00 -0.00 0.00 0.00 56.01 55.54 2kq2 n LEU 75 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.90 2kq2 n LEU 75 CO 0.48 0.00 0.69 -1.00 -0.00 0.00 0.00 177.39 177.57 2kq2 s HIS 76 N -1.18 3.67 0.81 1.47 3.76 -1.26 -4.80 115.29 117.77 2kq2 s HIS 76 Ca 0.00 -1.97 -0.09 0.00 -0.15 0.00 0.00 55.06 52.84 2kq2 s HIS 76 Cb 0.00 -3.97 0.13 0.00 1.11 0.00 0.00 32.58 29.85 2kq2 s HIS 76 CO 0.00 -1.13 1.14 0.34 -0.85 0.00 0.00 174.74 174.24 2kq2 s ASP 77 N 2.43 4.04 0.25 1.40 2.15 -1.26 -5.04 116.67 120.64 2kq2 s ASP 77 Ca 0.25 0.23 -0.30 0.00 0.43 0.00 0.00 52.55 53.17 2kq2 s ASP 77 Cb -0.08 -0.58 -0.09 0.00 -0.30 0.00 0.00 42.92 41.87 2kq2 s ASP 77 CO -0.08 -2.11 0.97 -0.47 -0.17 0.00 0.00 175.17 173.31 2kq2 s TYR 78 N -3.50 3.90 -0.53 -5.34 5.04 -1.26 -4.93 117.35 110.73 2kq2 s TYR 78 Ca 0.67 1.87 0.17 0.00 -2.44 0.00 0.00 57.07 57.34 2kq2 s TYR 78 Cb -0.07 -3.04 0.82 0.00 0.35 0.00 0.00 41.96 40.02 2kq2 s TYR 78 CO 0.48 0.25 1.52 0.00 -1.34 0.00 0.00 175.55 176.46 2kq2 n ALA 79 N 1.41 1.27 -0.11 3.97 0.00 -1.26 -3.38 120.51 122.41 2kq2 n ALA 79 Ca -0.02 0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.47 2kq2 n ALA 79 Cb 0.47 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.66 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 0.90 0.13 2.00 0.00 0.00 -1.91 -0.28 103.07 103.90 2kq2 h GLY 80 Ca 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 2kq2 h GLY 80 CO 0.00 -0.18 -0.20 1.19 0.00 0.00 0.00 176.54 177.35 2kq2 h ILE 81 N -0.10 0.38 -0.35 2.60 2.10 -1.82 -3.15 117.51 117.18 2kq2 h ILE 81 Ca 0.19 -1.30 0.00 0.00 1.08 0.00 0.00 64.86 64.82 2kq2 h ILE 81 Cb 0.38 1.99 0.00 0.00 -1.09 0.00 0.00 36.82 38.10 2kq2 h ILE 81 CO -0.44 0.19 0.00 0.00 -1.08 0.00 0.00 178.15 176.82 2kq2 n ALA 82 N -2.17 2.62 0.28 0.18 0.00 -0.24 -4.29 120.51 116.89 2kq2 n ALA 82 Ca 0.02 -0.72 0.18 0.00 0.00 0.00 0.00 53.44 52.92 2kq2 n ALA 82 Cb 0.53 -0.99 0.94 0.00 0.00 0.00 0.00 19.45 19.93 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 2.12 0.00 -0.07 0.00 -0.00 -1.19 0.24 116.94 118.04 2kq2 h PHE 83 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.97 57.84 2kq2 h PHE 83 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.61 2kq2 h PHE 83 CO 0.32 0.00 -0.54 2.35 -0.00 0.00 0.00 178.31 180.43 2kq2 h TRP 84 N 0.00 0.24 0.00 6.09 2.91 -1.88 0.17 115.95 123.49 2kq2 h TRP 84 Ca 0.04 -0.08 -0.24 0.00 1.13 0.00 0.00 58.89 59.73 2kq2 h TRP 84 Cb 0.36 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 28.92 2kq2 h TRP 84 CO 0.00 0.70 -1.52 0.00 -1.03 0.00 0.00 178.44 176.59 2kq2 h ALA 85 N 1.29 0.70 0.18 2.65 0.00 -1.30 -3.35 119.26 119.43 2kq2 h ALA 85 Ca 0.00 -1.20 -0.33 0.00 0.00 0.00 0.00 54.91 53.38 2kq2 h ALA 85 Cb 1.01 0.35 0.01 0.00 0.00 0.00 0.00 17.79 19.16 2kq2 h ALA 85 CO 0.08 1.33 -1.55 1.79 0.00 0.00 0.00 179.25 180.90 2kq2 h THR 86 N 0.00 1.17 -0.65 0.00 1.35 -1.37 -3.44 112.91 109.96 2kq2 h THR 86 Ca -0.21 -2.71 -0.13 0.00 -0.55 0.00 0.00 66.41 62.80 2kq2 h THR 86 Cb 1.85 2.87 -0.03 0.00 -1.73 0.00 0.00 68.15 71.11 2kq2 h THR 86 CO 0.07 0.84 -0.15 0.61 -0.25 0.00 0.00 175.52 176.64 2kq2 n GLY 87 N 1.73 0.46 0.25 5.82 0.00 0.61 -4.91 105.19 109.15 2kq2 n GLY 87 Ca -0.18 -0.68 0.13 0.00 0.00 0.00 0.00 46.02 45.29 2kq2 n GLY 87 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2kq2 h GLU 88 N 0.00 0.00 -5.40 1.61 4.11 -1.94 -3.38 114.58 109.59 2kq2 h GLU 88 Ca -0.15 0.00 -0.61 0.00 0.07 0.00 0.00 59.36 58.67 2kq2 h GLU 88 Cb 0.80 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.95 2kq2 h GLU 88 CO 0.19 0.14 -0.45 -0.46 0.07 0.00 0.00 179.01 178.50 2kq2 s TRP 89 N -3.98 3.46 0.32 2.06 -0.00 -1.26 -5.05 118.94 114.49 2kq2 s TRP 89 Ca -0.02 0.44 -0.29 0.00 -0.00 0.00 0.00 56.10 56.23 2kq2 s TRP 89 Cb 0.12 -2.16 -0.12 0.00 -0.00 0.00 0.00 33.47 31.30 2kq2 s TRP 89 CO 0.59 0.37 1.38 0.36 -0.00 0.00 0.00 176.95 179.65 2kq2 n LYS 90 N 3.21 2.25 -1.98 5.86 2.85 -1.26 -4.92 118.16 124.17 2kq2 n LYS 90 Ca -0.16 0.79 -0.36 0.00 -1.05 0.00 0.00 58.31 57.53 2kq2 n LYS 90 Cb 0.53 -2.44 0.04 0.00 -0.65 0.00 0.00 35.03 32.50 2kq2 n LYS 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kq2 s ALA 91 N -0.74 2.57 0.11 0.58 0.00 -1.26 -4.94 121.76 118.09 2kq2 s ALA 91 Ca 0.59 1.05 -0.23 0.00 0.00 0.00 0.00 51.96 53.38 2kq2 s ALA 91 Cb -0.56 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.02 2kq2 s ALA 91 CO 0.58 -1.19 1.69 -0.22 0.00 0.00 0.00 175.76 176.62 2kq2 h LYS 92 N 0.97 -0.14 0.00 0.00 1.63 -1.95 -3.46 116.57 113.62 2kq2 h LYS 92 Ca -0.50 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 2kq2 h LYS 92 Cb 1.30 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 2kq2 h LYS 92 CO 0.55 -0.09 0.00 -1.71 -3.45 0.00 0.00 179.45 174.75 2kq2 n ASN 93 N -5.23 -3.32 0.00 4.20 5.15 -1.26 -5.03 115.26 109.77 2kq2 n ASN 93 Ca -0.05 0.81 0.00 0.00 -0.60 0.00 0.00 54.58 54.74 2kq2 n ASN 93 Cb 0.15 3.18 0.00 0.00 -0.53 0.00 0.00 39.78 42.58 2kq2 n ASN 93 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2kq2 n GLU 94 N -3.33 0.00 -0.13 1.20 4.07 -1.26 -4.82 120.64 116.37 2kq2 n GLU 94 Ca 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.06 2kq2 n GLU 94 Cb 0.00 -0.36 0.03 0.00 -0.06 0.00 0.00 31.44 31.05 2kq2 n GLU 94 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 2kq2 h PHE 95 N 0.00 -0.07 -0.46 4.31 3.57 -1.98 0.34 116.94 122.66 2kq2 h PHE 95 Ca 0.00 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 2kq2 h PHE 95 Cb 0.14 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2kq2 h PHE 95 CO 0.00 -0.11 0.01 1.15 -2.23 0.00 0.00 178.31 177.13 2kq2 h THR 96 N 0.08 1.23 -0.08 4.41 2.02 -1.95 -1.70 112.91 116.93 2kq2 h THR 96 Ca 0.21 -0.94 -0.04 0.00 0.77 0.00 0.00 66.41 66.41 2kq2 h THR 96 Cb 0.30 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2kq2 h THR 96 CO -0.37 0.33 -0.09 1.56 0.37 0.00 0.00 175.52 177.32 2kq2 h GLN 97 N 0.70 0.20 -0.80 6.66 1.08 -1.39 -1.49 115.11 120.06 2kq2 h GLN 97 Ca 0.14 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2kq2 h GLN 97 Cb 0.41 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.80 2kq2 h GLN 97 CO 0.01 0.64 0.50 0.00 -0.95 0.00 0.00 178.83 179.04 2kq2 h ALA 98 N 0.55 1.39 -0.01 3.87 0.00 -0.31 0.18 119.26 124.93 2kq2 h ALA 98 Ca 0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 2kq2 h ALA 98 Cb 0.61 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2kq2 h ALA 98 CO 0.02 0.55 -0.61 1.88 0.00 0.00 0.00 179.25 181.09 2kq2 h TYR 99 N 1.09 0.05 -0.17 0.00 -1.99 -1.28 -0.52 116.97 114.15 2kq2 h TYR 99 Ca 0.29 -0.02 -0.19 0.00 2.00 0.00 0.00 58.73 60.81 2kq2 h TYR 99 Cb -0.09 -0.01 0.01 0.00 2.00 0.00 0.00 36.73 38.64 2kq2 h TYR 99 CO 0.00 0.64 -0.64 0.00 -0.00 0.00 0.00 178.16 178.16 2kq2 h ALA 100 N 1.36 0.31 -0.14 3.88 0.00 -0.31 -2.78 119.26 121.57 2kq2 h ALA 100 Ca -0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2kq2 h ALA 100 Cb 1.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2kq2 h ALA 100 CO 0.08 0.58 0.06 0.87 0.00 0.00 0.00 179.25 180.85 2kq2 h LYS 101 N 0.44 0.21 -1.46 0.00 1.79 -0.57 -2.95 116.57 114.05 2kq2 h LYS 101 Ca -0.03 -0.04 -0.45 0.00 -2.18 0.00 0.00 60.65 57.95 2kq2 h LYS 101 Cb 1.27 -0.04 -0.19 0.00 -1.58 0.00 0.00 32.23 31.69 2kq2 h LYS 101 CO 0.13 0.30 0.55 1.28 -1.08 0.00 0.00 179.45 180.63 2kq2 n LEU 102 N -4.89 6.83 -0.02 2.94 4.32 -0.21 -4.58 117.00 121.39 2kq2 n LEU 102 Ca -0.05 -3.69 0.23 0.00 -0.02 0.00 0.00 56.01 52.49 2kq2 n LEU 102 Cb 0.11 -1.06 0.72 0.00 -1.62 0.00 0.00 43.42 41.58 2kq2 n LEU 102 CO 0.34 1.36 1.21 0.00 -1.22 0.00 0.00 177.39 179.09 2kq2 h MET 103 N 1.83 0.00 -0.02 3.23 -0.00 -1.31 -1.50 114.93 117.16 2kq2 h MET 103 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.10 2kq2 h MET 103 Cb 0.84 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.44 2kq2 h MET 103 CO 1.01 0.00 0.01 -0.97 -0.00 0.00 0.00 176.91 176.96 2kq2 h ASN 104 N 0.00 0.00 -0.93 -0.10 -1.24 -1.88 -2.62 115.58 108.81 2kq2 h ASN 104 Ca 0.29 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.34 2kq2 h ASN 104 Cb 1.35 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.34 2kq2 h ASN 104 CO -0.00 0.00 0.61 0.06 -1.29 0.00 0.00 177.43 176.81 2kq2 h GLN 105 N 0.00 1.13 -0.48 6.67 3.07 -1.65 0.14 115.11 123.99 2kq2 h GLN 105 Ca 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 58.65 58.68 2kq2 h GLN 105 Cb 0.03 -0.25 0.00 0.00 0.08 0.00 0.00 27.48 27.34 2kq2 h GLN 105 CO -0.00 0.75 0.00 2.48 0.09 0.00 0.00 178.83 182.15 2kq2 n TYR 106 N -4.45 0.63 -2.65 0.06 0.18 -1.01 -4.82 117.16 105.11 2kq2 n TYR 106 Ca 0.13 -0.32 -0.43 0.00 1.88 0.00 0.00 57.90 59.16 2kq2 n TYR 106 Cb 0.11 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.05 2kq2 n TYR 106 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2kq2 s ARG 107 N -1.37 4.05 0.00 -3.48 1.81 0.04 -4.17 118.95 115.83 2kq2 s ARG 107 Ca 0.40 1.04 0.00 0.00 -1.72 0.00 0.00 55.73 55.45 2kq2 s ARG 107 Cb 0.22 -3.74 0.00 0.00 -0.45 0.00 0.00 34.95 30.98 2kq2 s ARG 107 CO 0.30 -0.91 0.00 0.41 -0.68 0.00 0.00 175.30 174.42 2kq2 n GLY 108 N 3.91 1.27 0.19 -3.53 0.00 -1.26 -4.91 105.19 100.86 2kq2 n GLY 108 Ca 0.12 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 1.36 -2.99 -0.61 5.03 -1.83 -3.45 117.51 115.02 2kq2 h ILE 109 Ca 0.00 -1.87 -0.13 0.00 -0.12 0.00 0.00 64.86 62.75 2kq2 h ILE 109 Cb 0.00 1.89 -0.22 0.00 -3.03 0.00 0.00 36.82 35.46 2kq2 h ILE 109 CO 0.00 0.56 -0.29 -0.72 -0.68 0.00 0.00 178.15 177.02 2kq2 s TYR 110 N -3.88 -0.25 -0.28 1.37 1.13 -1.26 -1.00 117.35 113.18 2kq2 s TYR 110 Ca -0.05 0.52 -0.16 0.00 -1.41 0.00 0.00 57.07 55.97 2kq2 s TYR 110 Cb 0.12 0.11 0.09 0.00 -1.10 0.00 0.00 41.96 41.18 2kq2 s TYR 110 CO 0.81 -0.31 0.73 -1.54 -2.51 0.00 0.00 175.55 172.73 2kq2 s SER 111 N -0.73 -0.89 -0.08 -0.18 1.04 -1.26 -4.61 113.70 106.98 2kq2 s SER 111 Ca -0.08 1.43 0.01 0.00 0.48 0.00 0.00 55.95 57.79 2kq2 s SER 111 Cb -0.04 1.37 -0.03 0.00 0.10 0.00 0.00 66.02 67.42 2kq2 s SER 111 CO 0.03 -0.23 -0.11 0.72 0.98 0.00 0.00 173.24 174.63 2kq2 s PHE 112 N 1.60 2.83 0.13 5.02 -0.71 -1.26 -4.90 117.98 120.68 2kq2 s PHE 112 Ca -0.10 -0.18 0.06 0.00 -1.04 0.00 0.00 56.93 55.67 2kq2 s PHE 112 Cb -0.05 -1.72 -0.04 0.00 -1.21 0.00 0.00 43.02 40.01 2kq2 s PHE 112 CO -0.19 0.16 -0.13 -1.21 -1.34 0.00 0.00 175.22 172.50 2kq2 s GLU 113 N -0.51 1.03 -0.90 1.99 2.02 -1.26 -5.07 118.70 116.01 2kq2 s GLU 113 Ca 0.07 -1.28 -0.25 0.00 0.02 0.00 0.00 54.97 53.54 2kq2 s GLU 113 Cb -0.12 -0.86 -0.04 0.00 0.10 0.00 0.00 34.13 33.21 2kq2 s GLU 113 CO 0.02 0.16 1.91 0.21 0.02 0.00 0.00 175.26 177.57 2kq2 s LYS 114 N -2.85 2.63 0.29 1.61 2.47 -1.26 -4.93 119.74 117.71 2kq2 s LYS 114 Ca 0.10 -0.31 0.11 0.00 -1.56 0.00 0.00 55.97 54.32 2kq2 s LYS 114 Cb -0.04 -5.05 -0.05 0.00 -1.46 0.00 0.00 37.83 31.23 2kq2 s LYS 114 CO 0.03 -3.26 -0.14 0.14 0.16 0.00 0.00 175.35 172.28 2kq2 s VAL 115 N 9.66 2.58 0.63 4.02 -7.23 -1.26 -5.13 120.40 123.66 2kq2 s VAL 115 Ca 0.68 -2.27 -0.13 0.00 -1.81 0.00 0.00 61.98 58.44 2kq2 s VAL 115 Cb -0.06 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 2kq2 s VAL 115 CO -0.00 -0.35 1.05 -1.59 -0.31 0.00 0.00 175.10 173.89 2kq2 s LYS 116 N -3.57 3.29 -0.41 4.82 0.00 -1.26 -4.95 119.74 117.66 2kq2 s LYS 116 Ca 0.31 1.02 -0.28 0.00 0.00 0.00 0.00 55.97 57.02 2kq2 s LYS 116 Cb -0.04 -2.04 -0.01 0.00 0.00 0.00 0.00 37.83 35.75 2kq2 s LYS 116 CO 0.16 -0.82 1.63 0.00 0.00 0.00 0.00 175.35 176.32 2kq2 s ALA 117 N -2.79 2.85 -0.03 0.59 0.00 -1.26 -4.75 121.76 116.37 2kq2 s ALA 117 Ca 0.60 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.53 2kq2 s ALA 117 Cb -0.14 -4.03 0.06 0.00 0.00 0.00 0.00 23.12 19.01 2kq2 s ALA 117 CO 0.45 -2.71 0.88 -2.39 0.00 0.00 0.00 175.76 172.00 2kq2 n HIS 118 N 9.96 0.00 -1.07 0.00 1.44 -1.26 -4.71 115.22 119.58 2kq2 n HIS 118 Ca 0.19 -0.34 0.01 0.00 -2.01 0.00 0.00 57.72 55.58 2kq2 n HIS 118 Cb 0.48 -0.06 0.29 0.00 0.12 0.00 0.00 29.99 30.82 2kq2 n HIS 118 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 2kq2 n SER 119 N -0.42 4.27 -3.02 4.39 3.41 -1.26 -4.81 113.62 116.17 2kq2 n SER 119 Ca 0.03 -3.20 -0.29 0.00 -0.26 0.00 0.00 58.87 55.15 2kq2 n SER 119 Cb 0.51 -0.65 -0.05 0.00 -0.26 0.00 0.00 64.21 63.75 2kq2 n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kq2 n GLY 120 N -0.34 3.70 3.74 5.00 0.00 -1.26 -4.88 105.19 111.14 2kq2 n GLY 120 Ca 0.31 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 2kq2 n GLY 120 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kq2 s ASN 121 N 2.43 3.45 0.62 1.61 -0.87 -1.26 -4.92 114.94 115.99 2kq2 s ASN 121 Ca 0.61 1.27 0.41 0.00 -1.57 0.00 0.00 52.86 53.58 2kq2 s ASN 121 Cb 0.18 -1.94 2.18 0.00 -0.02 0.00 0.00 41.25 41.65 2kq2 s ASN 121 CO -0.04 -2.63 2.25 -0.33 -2.57 0.00 0.00 177.10 173.79 2kq2 h GLU 122 N -1.54 0.00 0.00 -0.60 5.08 -2.04 -2.09 114.58 113.39 2kq2 h GLU 122 Ca -0.51 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.76 2kq2 h GLU 122 Cb 1.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2kq2 h GLU 122 CO 0.58 0.00 -0.46 0.74 -1.00 0.00 0.00 179.01 178.87 2kq2 h PHE 123 N 0.00 0.00 0.00 4.33 0.04 -1.95 -3.14 116.94 116.22 2kq2 h PHE 123 Ca 0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 2kq2 h PHE 123 Cb 0.07 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 2kq2 h PHE 123 CO 0.00 0.46 -0.28 -0.91 -0.60 0.00 0.00 178.31 176.98 2kq2 h ASN 124 N 0.00 0.00 0.05 2.17 2.35 -1.71 -2.23 115.58 116.21 2kq2 h ASN 124 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2kq2 h ASN 124 Cb 0.91 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.28 2kq2 h ASN 124 CO 0.06 0.28 -0.02 -0.78 -1.65 0.00 0.00 177.43 175.32 2kq2 h ASP 125 N 0.00 0.00 -0.03 5.81 3.58 -1.72 0.10 116.42 124.16 2kq2 h ASP 125 Ca -0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2kq2 h ASP 125 Cb 0.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2kq2 h ASP 125 CO 0.04 0.02 -0.08 0.22 -2.88 0.00 0.00 179.24 176.56 2kq2 h TYR 126 N 0.00 0.14 0.00 0.28 3.20 -1.59 -3.18 116.97 115.82 2kq2 h TYR 126 Ca -0.00 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 2kq2 h TYR 126 Cb 0.06 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 2kq2 h TYR 126 CO 0.00 0.69 -0.12 -0.24 -1.64 0.00 0.00 178.16 176.85 2kq2 h VAL 127 N -0.45 0.23 -0.97 1.81 3.04 -1.54 -3.08 116.25 115.28 2kq2 h VAL 127 Ca -0.00 -1.13 0.12 0.00 -1.01 0.00 0.00 66.70 64.68 2kq2 h VAL 127 Cb 0.69 1.94 -0.09 0.00 -2.01 0.00 0.00 31.29 31.83 2kq2 h VAL 127 CO 0.02 0.12 0.60 -0.78 -1.01 0.00 0.00 177.57 176.52 2kq2 h ASP 128 N 0.00 0.87 -0.60 3.17 3.58 -0.80 -1.72 116.42 120.93 2kq2 h ASP 128 Ca -0.00 0.05 0.06 0.00 0.42 0.00 0.00 57.03 57.56 2kq2 h ASP 128 Cb 0.93 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.81 2kq2 h ASP 128 CO 0.02 0.45 0.31 -0.03 -2.88 0.00 0.00 179.24 177.11 2kq2 h MET 129 N 0.94 0.57 -0.16 0.28 4.05 -1.54 0.46 114.93 119.52 2kq2 h MET 129 Ca 0.49 -0.03 -0.15 0.00 -0.28 0.00 0.00 59.70 59.73 2kq2 h MET 129 Cb 0.51 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 2kq2 h MET 129 CO -0.28 0.38 -0.52 -0.22 0.23 0.00 0.00 176.91 176.50 2kq2 h LYS 130 N 0.59 0.45 -0.08 0.39 3.11 -1.50 -2.40 116.57 117.14 2kq2 h LYS 130 Ca 0.27 -0.27 -0.05 0.00 -2.81 0.00 0.00 60.65 57.78 2kq2 h LYS 130 Cb 0.18 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.43 2kq2 h LYS 130 CO -0.18 0.87 -0.15 0.00 -2.81 0.00 0.00 179.45 177.18 2kq2 h ALA 131 N 1.08 0.12 0.00 5.00 0.00 -0.86 -3.20 119.26 121.40 2kq2 h ALA 131 Ca 0.01 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2kq2 h ALA 131 Cb 1.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2kq2 h ALA 131 CO 0.09 0.02 -0.36 0.87 0.00 0.00 0.00 179.25 179.88 2kq2 h LYS 132 N -0.24 0.00 -0.29 0.00 1.79 -0.92 -2.19 116.57 114.73 2kq2 h LYS 132 Ca 0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 2kq2 h LYS 132 Cb 0.73 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 2kq2 h LYS 132 CO 0.03 0.36 -0.04 0.77 -1.08 0.00 0.00 179.45 179.49 2kq2 h SER 133 N 0.00 0.43 1.31 0.86 0.02 -1.46 -1.39 113.55 113.32 2kq2 h SER 133 Ca -0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2kq2 h SER 133 Cb 0.65 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2kq2 h SER 133 CO 0.05 0.52 0.00 0.00 -1.14 0.00 0.00 176.83 176.26 2kq2 h ALA 134 N 1.53 1.00 0.00 3.77 0.00 -1.39 -2.81 119.26 121.36 2kq2 h ALA 134 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2kq2 h ALA 134 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2kq2 h ALA 134 CO 0.01 0.00 -0.49 1.28 0.00 0.00 0.00 179.25 180.05 2kq2 n LEU 135 N -2.36 0.50 0.00 0.00 4.77 -0.67 -4.83 117.00 114.40 2kq2 n LEU 135 Ca 0.04 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2kq2 n LEU 135 Cb 0.38 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2kq2 n LEU 135 CO 0.28 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2kq2 n GLY 136 N 1.47 1.16 3.75 -0.72 0.00 -1.06 -5.09 105.19 104.70 2kq2 n GLY 136 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 4.95 -0.52 -0.61 1.09 -0.61 -4.21 121.20 119.29 2kq2 s ILE 137 Ca 0.00 1.27 -0.01 0.00 -1.10 0.00 0.00 60.65 60.81 2kq2 s ILE 137 Cb 0.00 -3.95 -0.01 0.00 -1.06 0.00 0.00 42.46 37.44 2kq2 s ILE 137 CO 0.00 0.38 0.44 0.54 -0.10 0.00 0.00 174.94 176.20 2kq2 n ARG 138 N 3.00 -2.23 -3.10 2.79 1.74 -1.26 -4.30 116.66 113.30 2kq2 n ARG 138 Ca -0.06 0.39 -0.38 0.00 -0.77 0.00 0.00 57.85 57.03 2kq2 n ARG 138 Cb 0.51 -3.82 -0.06 0.00 -1.02 0.00 0.00 32.46 28.07 2kq2 n ARG 138 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2kq2 s ASP 139 N -3.45 7.22 0.00 0.55 -4.77 -1.26 -5.02 116.67 109.94 2kq2 s ASP 139 Ca 0.08 1.48 0.00 0.00 -3.30 0.00 0.00 52.55 50.81 2kq2 s ASP 139 Cb -0.01 -2.44 0.00 0.00 -1.09 0.00 0.00 42.92 39.38 2kq2 s ASP 139 CO 0.33 0.19 0.00 0.18 0.70 0.00 0.00 175.17 176.58 2kq2 n LEU 140 N 1.44 0.40 -0.00 2.11 4.77 -1.26 -4.86 117.00 119.60 2kq2 n LEU 140 Ca -0.06 0.13 0.02 0.00 -0.03 0.00 0.00 56.01 56.07 2kq2 n LEU 140 Cb 0.50 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 2kq2 n LEU 140 CO 0.44 -0.33 -0.56 -0.62 -1.33 0.00 0.00 177.39 174.98 2kq2 n GLU 141 N -1.90 0.42 -2.55 3.23 1.02 -1.26 -4.91 120.64 114.69 2kq2 n GLU 141 Ca 0.00 -0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.69 2kq2 n GLU 141 Cb 0.00 -1.11 -0.03 0.00 -0.02 0.00 0.00 31.44 30.28 2kq2 n GLU 141 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2kq2 s HIS 142 N -2.31 2.47 0.25 -0.32 3.76 -1.26 -4.16 115.29 113.72 2kq2 s HIS 142 Ca -0.02 -0.66 0.00 0.00 -0.15 0.00 0.00 55.06 54.23 2kq2 s HIS 142 Cb 0.03 -4.67 0.00 0.00 1.11 0.00 0.00 32.58 29.05 2kq2 s HIS 142 CO 0.19 -1.96 0.00 1.58 -0.85 0.00 0.00 174.74 173.70 2kq2 n HIS 143 N 9.09 -2.96 -3.65 1.40 -0.00 -1.26 -4.90 115.22 112.94 2kq2 n HIS 143 Ca 0.28 0.72 -0.08 0.00 -0.00 0.00 0.00 57.72 58.64 2kq2 n HIS 143 Cb 0.51 1.85 -0.08 0.00 -0.00 0.00 0.00 29.99 32.27 2kq2 n HIS 143 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kq2 s HIS 144 N -2.00 -1.00 -0.47 1.57 -3.43 -1.26 -5.12 115.29 103.58 2kq2 s HIS 144 Ca 0.00 2.02 0.04 0.00 -0.80 0.00 0.00 55.06 56.31 2kq2 s HIS 144 Cb 0.00 0.58 0.12 0.00 -1.43 0.00 0.00 32.58 31.85 2kq2 s HIS 144 CO 0.00 -0.50 0.20 -1.58 -2.00 0.00 0.00 174.74 170.86 2kq2 s HIS 145 N 1.58 3.36 -1.46 0.38 2.46 -1.26 -5.00 115.29 115.36 2kq2 s HIS 145 Ca -0.10 -3.12 0.00 0.00 0.47 0.00 0.00 55.06 52.32 2kq2 s HIS 145 Cb -0.05 -2.86 0.00 0.00 -0.13 0.00 0.00 32.58 29.53 2kq2 s HIS 145 CO -0.19 -0.81 0.00 0.72 -2.47 0.00 0.00 174.74 172.00 2kq2 n HIS 146 N 3.46 0.00 1.77 3.88 8.25 -1.26 -5.26 115.22 126.06 2kq2 n HIS 146 Ca 0.05 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.65 2kq2 n HIS 146 Cb 0.35 0.00 0.84 0.00 1.12 0.00 0.00 29.99 32.30 2kq2 n HIS 146 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70