#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 -5.42 -3.63 3.17 2.03 -1.26 -4.89 116.55 106.55 2kq2 n ASP 2 Ca 0.00 0.03 -0.41 0.00 0.52 0.00 0.00 54.79 54.93 2kq2 n ASP 2 Cb 0.00 -4.48 -0.01 0.00 -0.72 0.00 0.00 41.12 35.91 2kq2 n ASP 2 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2kq2 n ASP 3 N -1.54 5.86 -1.02 1.67 5.75 -1.26 -4.55 116.55 121.46 2kq2 n ASP 3 Ca -0.22 -2.87 0.12 0.00 -0.01 0.00 0.00 54.79 51.80 2kq2 n ASP 3 Cb 0.66 -1.56 0.14 0.00 -1.03 0.00 0.00 41.12 39.34 2kq2 n ASP 3 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2kq2 n ARG 4 N 4.43 2.35 -4.02 0.11 1.85 -1.26 -4.81 116.66 115.30 2kq2 n ARG 4 Ca 0.57 -2.05 -0.31 0.00 -1.00 0.00 0.00 57.85 55.06 2kq2 n ARG 4 Cb 0.33 -1.47 -0.16 0.00 -1.05 0.00 0.00 32.46 30.11 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 -1.77 1.80 0.00 8.89 -4.23 -1.26 -5.08 115.64 114.00 2kq2 s THR 5 Ca 0.32 -1.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 2kq2 s THR 5 Cb 0.21 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 72.16 2kq2 s THR 5 CO 0.30 0.12 0.00 -1.84 -0.54 0.00 0.00 174.62 172.66 2kq2 n GLU 6 N 4.61 0.00 -4.09 3.99 0.00 -1.26 -4.91 120.64 118.98 2kq2 n GLU 6 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 56.92 2kq2 n GLU 6 Cb 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.79 2kq2 n GLU 6 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2kq2 s TYR 7 N 0.00 0.58 -0.00 -1.84 2.02 -1.26 -5.03 117.35 111.82 2kq2 s TYR 7 Ca 0.00 -0.89 -0.27 0.00 -0.37 0.00 0.00 57.07 55.54 2kq2 s TYR 7 Cb 0.00 -0.39 -0.04 0.00 -0.40 0.00 0.00 41.96 41.13 2kq2 s TYR 7 CO 0.00 -0.26 0.85 -0.51 -1.57 0.00 0.00 175.55 174.06 2kq2 s ASP 8 N -2.58 7.23 -0.10 2.29 1.01 -0.75 -4.85 116.67 118.92 2kq2 s ASP 8 Ca 0.03 1.48 0.02 0.00 0.71 0.00 0.00 52.55 54.79 2kq2 s ASP 8 Cb 0.03 -2.50 0.01 0.00 1.01 0.00 0.00 42.92 41.47 2kq2 s ASP 8 CO -0.06 -0.15 -0.14 -0.69 0.21 0.00 0.00 175.17 174.34 2kq2 s VAL 9 N 0.65 1.40 0.24 -1.27 1.01 -1.26 -2.75 120.40 118.42 2kq2 s VAL 9 Ca 0.44 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2kq2 s VAL 9 Cb -0.20 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 34.91 2kq2 s VAL 9 CO 0.24 0.42 0.17 -1.22 0.00 0.00 0.00 175.10 174.71 2kq2 n TYR 10 N 4.16 -0.97 -1.85 5.22 4.01 -1.21 -4.97 117.16 121.55 2kq2 n TYR 10 Ca -0.19 -1.04 -0.01 0.00 -0.16 0.00 0.00 57.90 56.50 2kq2 n TYR 10 Cb 0.51 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 2kq2 n TYR 10 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2kq2 n THR 11 N -1.03 -4.74 -0.30 -0.72 -1.04 -1.26 -4.35 114.28 100.84 2kq2 n THR 11 Ca -0.02 0.43 0.04 0.00 -2.04 0.00 0.00 64.05 62.47 2kq2 n THR 11 Cb 0.28 -4.86 0.24 0.00 -1.82 0.00 0.00 70.33 64.18 2kq2 n THR 11 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2kq2 h ASP 12 N 0.76 0.90 0.00 8.00 5.19 -1.88 -3.46 116.42 125.93 2kq2 h ASP 12 Ca 0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2kq2 h ASP 12 Cb 0.09 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.41 2kq2 h ASP 12 CO 0.04 0.58 0.00 0.61 -3.12 0.00 0.00 179.24 177.34 2kq2 n GLY 13 N -1.40 2.00 3.57 2.75 0.00 -0.39 -1.69 105.19 110.03 2kq2 n GLY 13 Ca 0.13 0.26 -0.38 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 6.28 -0.03 1.61 0.01 -1.26 -3.62 113.70 116.69 2kq2 s SER 14 Ca 0.00 -1.85 -0.08 0.00 1.31 0.00 0.00 55.95 55.33 2kq2 s SER 14 Cb 0.00 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.67 2kq2 s SER 14 CO 0.00 -1.74 0.19 -0.72 0.41 0.00 0.00 173.24 171.38 2kq2 s TYR 15 N 6.13 -0.09 -0.27 2.43 1.13 -1.26 -0.90 117.35 124.52 2kq2 s TYR 15 Ca 0.56 0.19 -0.25 0.00 -1.41 0.00 0.00 57.07 56.15 2kq2 s TYR 15 Cb 0.01 0.02 0.10 0.00 -1.10 0.00 0.00 41.96 40.99 2kq2 s TYR 15 CO 0.03 -0.23 0.90 0.54 -2.51 0.00 0.00 175.55 174.28 2kq2 s VAL 16 N -0.77 0.00 -1.73 -3.49 0.11 0.91 -4.78 120.40 110.66 2kq2 s VAL 16 Ca -0.09 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 2kq2 s VAL 16 Cb -0.05 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 2kq2 s VAL 16 CO 0.01 0.00 0.00 0.59 -3.33 0.00 0.00 175.10 172.37 2kq2 n ASN 17 N 2.29 -5.51 0.00 3.54 4.13 -1.26 -1.61 115.26 116.85 2kq2 n ASN 17 Ca -0.13 0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.20 2kq2 n ASN 17 Cb 0.56 -4.58 0.00 0.00 -1.54 0.00 0.00 39.78 34.22 2kq2 n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kq2 n GLY 18 N -0.94 0.95 3.44 7.41 0.00 -1.26 -5.03 105.19 109.76 2kq2 n GLY 18 Ca -0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 2kq2 n GLY 18 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kq2 s GLN 19 N -0.23 1.62 0.06 1.61 -2.07 -0.63 -5.14 119.66 114.88 2kq2 s GLN 19 Ca 0.00 -1.25 -0.00 0.00 -1.82 0.00 0.00 55.36 52.29 2kq2 s GLN 19 Cb 0.00 -2.02 -0.04 0.00 -1.09 0.00 0.00 33.01 29.86 2kq2 s GLN 19 CO 0.00 0.47 -0.04 1.52 -1.32 0.00 0.00 175.29 175.92 2kq2 s TYR 20 N -1.09 0.60 0.20 9.60 1.13 -1.26 -0.06 117.35 126.47 2kq2 s TYR 20 Ca 0.16 -1.03 -0.01 0.00 -1.41 0.00 0.00 57.07 54.78 2kq2 s TYR 20 Cb -0.10 -0.42 -0.04 0.00 -1.10 0.00 0.00 41.96 40.30 2kq2 s TYR 20 CO 0.08 -0.33 0.12 0.00 -2.51 0.00 0.00 175.55 172.91 2kq2 s ALA 21 N -3.82 1.22 -0.17 9.51 0.00 -0.08 -4.54 121.76 123.88 2kq2 s ALA 21 Ca 0.08 -1.71 -0.07 0.00 0.00 0.00 0.00 51.96 50.27 2kq2 s ALA 21 Cb 0.07 1.31 -0.04 0.00 0.00 0.00 0.00 23.12 24.46 2kq2 s ALA 21 CO -0.09 -0.57 0.04 1.67 0.00 0.00 0.00 175.76 176.82 2kq2 s TRP 22 N -4.10 3.22 0.16 0.00 1.48 0.34 -4.40 118.94 115.64 2kq2 s TRP 22 Ca 0.38 0.03 -0.21 0.00 -1.06 0.00 0.00 56.10 55.23 2kq2 s TRP 22 Cb 0.07 -2.05 0.06 0.00 -1.16 0.00 0.00 33.47 30.40 2kq2 s TRP 22 CO 0.12 0.15 0.57 0.00 -4.06 0.00 0.00 176.95 173.72 2kq2 s ALA 23 N 0.29 -1.44 0.15 2.67 0.00 -1.26 -0.94 121.76 121.23 2kq2 s ALA 23 Ca 0.02 0.33 -0.24 0.00 0.00 0.00 0.00 51.96 52.07 2kq2 s ALA 23 Cb -0.13 0.85 0.06 0.00 0.00 0.00 0.00 23.12 23.91 2kq2 s ALA 23 CO 0.01 -0.76 0.80 1.52 0.00 0.00 0.00 175.76 177.33 2kq2 s TYR 24 N -3.77 -0.29 -0.27 0.00 1.13 -1.15 -4.86 117.35 108.14 2kq2 s TYR 24 Ca 0.02 0.01 -0.02 0.00 -1.41 0.00 0.00 57.07 55.67 2kq2 s TYR 24 Cb -0.01 0.61 0.12 0.00 -1.10 0.00 0.00 41.96 41.58 2kq2 s TYR 24 CO -0.12 -0.86 0.24 0.00 -2.51 0.00 0.00 175.55 172.30 2kq2 s ALA 25 N -3.51 -0.17 -0.38 9.51 0.00 -1.26 -3.58 121.76 122.38 2kq2 s ALA 25 Ca 0.08 -0.33 -0.25 0.00 0.00 0.00 0.00 51.96 51.46 2kq2 s ALA 25 Cb -0.02 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.54 2kq2 s ALA 25 CO -0.03 -1.56 0.90 -0.06 0.00 0.00 0.00 175.76 175.01 2kq2 s PHE 26 N 2.29 3.07 0.03 0.00 0.08 -0.99 -3.34 117.98 119.13 2kq2 s PHE 26 Ca 0.09 0.69 0.03 0.00 0.12 0.00 0.00 56.93 57.86 2kq2 s PHE 26 Cb -0.15 -3.63 -0.02 0.00 -0.57 0.00 0.00 43.02 38.65 2kq2 s PHE 26 CO -0.28 -0.83 -0.10 0.54 -0.10 0.00 0.00 175.22 174.45 2kq2 s VAL 27 N 3.43 0.74 -0.15 -0.44 0.11 -1.11 -1.14 120.40 121.84 2kq2 s VAL 27 Ca 0.37 -0.90 -0.11 0.00 -2.93 0.00 0.00 61.98 58.41 2kq2 s VAL 27 Cb -0.12 -0.72 0.05 0.00 -1.53 0.00 0.00 36.38 34.06 2kq2 s VAL 27 CO 0.19 -0.14 0.38 -1.59 -3.33 0.00 0.00 175.10 170.61 2kq2 s LYS 28 N -1.15 0.40 0.00 1.54 -2.85 0.87 -1.81 119.74 116.74 2kq2 s LYS 28 Ca -0.03 0.63 0.00 0.00 -1.00 0.00 0.00 55.97 55.57 2kq2 s LYS 28 Cb -0.08 0.09 0.00 0.00 -2.06 0.00 0.00 37.83 35.78 2kq2 s LYS 28 CO 0.01 -0.11 0.00 -3.47 0.10 0.00 0.00 175.35 171.88 2kq2 n ASP 29 N 3.56 -3.03 0.00 0.03 -0.08 -1.26 -1.04 116.55 114.74 2kq2 n ASP 29 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 2kq2 n ASP 29 Cb 0.56 -1.77 0.00 0.00 2.34 0.00 0.00 41.12 42.25 2kq2 n ASP 29 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kq2 n GLY 30 N -1.32 0.51 3.70 0.27 0.00 -1.26 -4.89 105.19 102.20 2kq2 n GLY 30 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.86 -0.14 1.61 3.01 -0.20 -5.09 119.74 121.92 2kq2 s LYS 31 Ca 0.00 -0.28 -0.04 0.00 -1.01 0.00 0.00 55.97 54.64 2kq2 s LYS 31 Cb 0.00 -3.22 -0.03 0.00 -1.01 0.00 0.00 37.83 33.56 2kq2 s LYS 31 CO 0.00 0.40 -0.00 0.54 0.51 0.00 0.00 175.35 176.79 2kq2 s VAL 32 N 0.04 4.23 -0.10 3.17 0.11 -1.26 -0.09 120.40 126.49 2kq2 s VAL 32 Ca 0.07 -0.25 0.06 0.00 -2.93 0.00 0.00 61.98 58.93 2kq2 s VAL 32 Cb -0.12 -2.84 -0.10 0.00 -1.53 0.00 0.00 36.38 31.79 2kq2 s VAL 32 CO 0.00 0.52 -0.01 1.57 -3.33 0.00 0.00 175.10 173.86 2kq2 n HIS 33 N 3.07 0.00 -4.94 1.54 -0.00 -0.29 -4.99 115.22 109.61 2kq2 n HIS 33 Ca -0.18 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.68 2kq2 n HIS 33 Cb 0.53 -0.44 -0.14 0.00 -0.12 0.00 0.00 29.99 29.82 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 -2.22 2.66 -0.30 1.57 2.02 -1.19 -5.01 117.35 114.89 2kq2 s TYR 34 Ca -0.08 -0.24 -0.13 0.00 -0.37 0.00 0.00 57.07 56.25 2kq2 s TYR 34 Cb 0.03 -1.63 0.15 0.00 -0.40 0.00 0.00 41.96 40.11 2kq2 s TYR 34 CO 0.33 0.12 0.85 -2.00 -1.57 0.00 0.00 175.55 173.28 2kq2 s GLU 35 N -0.62 0.41 0.02 -0.62 2.12 -1.26 -2.35 118.70 116.40 2kq2 s GLU 35 Ca 0.09 1.04 -0.29 0.00 0.36 0.00 0.00 54.97 56.17 2kq2 s GLU 35 Cb -0.11 0.63 0.10 0.00 0.26 0.00 0.00 34.13 35.01 2kq2 s GLU 35 CO 0.01 -0.14 1.14 0.16 -0.54 0.00 0.00 175.26 175.89 2kq2 s ASP 36 N 2.64 -0.13 -0.23 -1.70 1.47 -1.24 -5.06 116.67 112.43 2kq2 s ASP 36 Ca -0.04 -0.19 -0.11 0.00 1.18 0.00 0.00 52.55 53.39 2kq2 s ASP 36 Cb -0.09 0.28 0.08 0.00 -0.34 0.00 0.00 42.92 42.86 2kq2 s ASP 36 CO -0.18 -0.51 0.53 0.00 0.68 0.00 0.00 175.17 175.69 2kq2 s ALA 37 N -2.76 -1.48 0.25 2.11 0.00 -1.26 -2.92 121.76 115.70 2kq2 s ALA 37 Ca 0.12 1.92 -0.06 0.00 0.00 0.00 0.00 51.96 53.94 2kq2 s ALA 37 Cb 0.02 -1.29 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 2kq2 s ALA 37 CO -0.02 -0.50 0.36 0.34 0.00 0.00 0.00 175.76 175.93 2kq2 s ASP 38 N 1.95 0.22 0.37 0.00 2.15 -0.11 -4.99 116.67 116.25 2kq2 s ASP 38 Ca -0.08 -1.20 -0.16 0.00 0.43 0.00 0.00 52.55 51.54 2kq2 s ASP 38 Cb -0.09 0.53 -0.09 0.00 -0.30 0.00 0.00 42.92 42.98 2kq2 s ASP 38 CO -0.16 -1.07 0.80 0.68 -0.17 0.00 0.00 175.17 175.25 2kq2 s VAL 39 N -3.87 4.63 0.03 1.11 -7.23 -1.26 -0.50 120.40 113.30 2kq2 s VAL 39 Ca 0.30 1.03 -0.30 0.00 -1.81 0.00 0.00 61.98 61.20 2kq2 s VAL 39 Cb 0.02 -3.63 -0.08 0.00 0.56 0.00 0.00 36.38 33.25 2kq2 s VAL 39 CO 0.13 -0.29 1.87 -0.83 -0.31 0.00 0.00 175.10 175.67 2kq2 s GLY 40 N -2.42 1.46 0.00 2.32 0.00 -1.26 -4.73 107.32 102.69 2kq2 s GLY 40 Ca 0.56 1.26 0.00 0.00 0.00 0.00 0.00 44.72 46.54 2kq2 s GLY 40 CO 0.19 3.32 0.00 0.28 0.00 0.00 0.00 173.10 176.89 2kq2 n LYS 41 N 7.13 1.45 -1.53 2.90 4.76 -1.26 -5.07 118.16 126.53 2kq2 n LYS 41 Ca 0.19 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.30 2kq2 n LYS 41 Cb 0.41 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.67 2kq2 n LYS 41 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2kq2 s ASN 42 N -0.96 4.59 0.19 4.39 0.01 -1.26 -4.88 114.94 117.03 2kq2 s ASN 42 Ca 0.00 2.12 -0.11 0.00 -0.71 0.00 0.00 52.86 54.16 2kq2 s ASN 42 Cb 0.00 -2.56 0.18 0.00 0.41 0.00 0.00 41.25 39.28 2kq2 s ASN 42 CO 0.00 -1.98 1.79 -0.65 -1.51 0.00 0.00 177.10 174.75 2kq2 h PRO 43 N -0.30 0.56 0.00 -0.60 0.11 -2.01 -1.89 132.00 127.87 2kq2 h PRO 43 Ca -0.47 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 2kq2 h PRO 43 Cb 1.26 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2kq2 h PRO 43 CO 0.51 0.37 -0.58 0.00 -0.21 0.00 0.00 178.00 178.09 2kq2 h ALA 44 N 1.31 0.64 0.00 -0.75 0.00 -1.99 -2.98 119.26 115.48 2kq2 h ALA 44 Ca 0.26 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2kq2 h ALA 44 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kq2 h ALA 44 CO -0.17 0.73 0.00 0.00 0.00 0.00 0.00 179.25 179.81 2kq2 n ALA 45 N -2.25 2.30 0.03 0.00 0.00 -0.93 -2.44 120.51 117.23 2kq2 n ALA 45 Ca 0.01 -0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.13 2kq2 n ALA 45 Cb 0.76 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 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 3.29 0.14 0.00 0.00 0.00 -1.20 -3.27 119.26 118.22 2kq2 h ALA 46 Ca 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 54.91 54.10 2kq2 h ALA 46 Cb 0.15 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2kq2 h ALA 46 CO 0.00 0.67 -0.94 1.15 0.00 0.00 0.00 179.25 180.13 2kq2 h THR 47 N 0.38 0.63 -2.94 0.00 2.02 -1.68 -3.38 112.91 107.94 2kq2 h THR 47 Ca -0.12 -2.02 -0.69 0.00 0.77 0.00 0.00 66.41 64.34 2kq2 h THR 47 Cb 1.66 2.18 -0.36 0.00 -1.74 0.00 0.00 68.15 69.89 2kq2 h THR 47 CO 0.20 0.36 -0.10 0.23 0.37 0.00 0.00 175.52 176.57 2kq2 n MET 48 N -3.04 2.86 -3.93 6.66 2.81 -1.02 -4.82 117.12 116.64 2kq2 n MET 48 Ca -0.03 -4.55 -0.09 0.00 -1.81 0.00 0.00 57.70 51.22 2kq2 n MET 48 Cb 0.77 -2.38 -0.09 0.00 -0.71 0.00 0.00 33.22 30.81 2kq2 n MET 48 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 2kq2 s ARG 49 N -1.92 0.68 0.28 0.03 3.52 -1.23 -4.65 118.95 115.66 2kq2 s ARG 49 Ca 0.31 -0.91 0.00 0.00 -0.13 0.00 0.00 55.73 55.00 2kq2 s ARG 49 Cb 0.01 0.26 0.65 0.00 -1.56 0.00 0.00 34.95 34.31 2kq2 s ARG 49 CO -0.06 -0.18 1.65 -0.91 -0.81 0.00 0.00 175.30 174.99 2kq2 h ASN 50 N 3.25 -0.03 0.73 -2.12 2.35 -1.95 -0.52 115.58 117.29 2kq2 h ASN 50 Ca -0.33 0.19 -0.10 0.00 -0.55 0.00 0.00 56.30 55.50 2kq2 h ASN 50 Cb 1.18 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.80 2kq2 h ASN 50 CO 0.55 -0.14 -0.49 0.58 -1.65 0.00 0.00 177.43 176.29 2kq2 h VAL 51 N 0.21 1.15 -0.58 2.81 2.07 -1.96 -3.28 116.25 116.68 2kq2 h VAL 51 Ca 0.52 -1.79 0.17 0.00 0.82 0.00 0.00 66.70 66.42 2kq2 h VAL 51 Cb 1.01 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 2kq2 h VAL 51 CO -0.63 0.48 0.43 0.00 0.02 0.00 0.00 177.57 177.86 2kq2 h ALA 52 N 1.51 2.51 -0.45 1.67 0.00 -1.37 -0.02 119.26 123.11 2kq2 h ALA 52 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kq2 h ALA 52 Cb 0.98 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2kq2 h ALA 52 CO 0.06 -0.73 0.28 0.78 0.00 0.00 0.00 179.25 179.65 2kq2 h GLY 53 N 0.00 0.64 1.15 0.00 0.00 -1.70 0.16 103.07 103.32 2kq2 h GLY 53 Ca 0.27 -0.26 -0.19 0.00 0.00 0.00 0.00 47.33 47.16 2kq2 h GLY 53 CO -0.00 0.25 -0.55 0.83 0.00 0.00 0.00 176.54 177.06 2kq2 h GLU 54 N 0.60 0.89 -0.76 4.80 3.07 -1.29 -3.18 114.58 118.70 2kq2 h GLU 54 Ca 0.16 -0.57 0.02 0.00 -0.50 0.00 0.00 59.36 58.48 2kq2 h GLU 54 Cb -0.03 0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 27.91 2kq2 h GLU 54 CO -0.03 1.20 0.51 0.82 -1.40 0.00 0.00 179.01 180.11 2kq2 h ILE 55 N 0.68 1.16 -0.95 3.13 2.04 -0.92 -1.93 117.51 120.72 2kq2 h ILE 55 Ca 0.01 -0.34 0.10 0.00 1.00 0.00 0.00 64.86 65.63 2kq2 h ILE 55 Cb 1.16 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.25 2kq2 h ILE 55 CO 0.12 0.18 0.61 0.00 0.00 0.00 0.00 178.15 179.07 2kq2 h ALA 56 N 1.54 1.55 -0.57 1.87 0.00 -0.67 0.41 119.26 123.39 2kq2 h ALA 56 Ca 0.29 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 2kq2 h ALA 56 Cb -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2kq2 h ALA 56 CO -0.07 0.26 0.04 0.00 0.00 0.00 0.00 179.25 179.47 2kq2 h ALA 57 N 1.53 0.99 -0.09 0.00 0.00 -1.43 -1.13 119.26 119.13 2kq2 h ALA 57 Ca 0.44 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.88 2kq2 h ALA 57 Cb 0.38 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2kq2 h ALA 57 CO -0.20 0.62 -0.77 0.00 0.00 0.00 0.00 179.25 178.90 2kq2 h ALA 58 N 1.15 0.49 -0.65 0.00 0.00 -1.07 -2.85 119.26 116.32 2kq2 h ALA 58 Ca 0.17 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 2kq2 h ALA 58 Cb 0.47 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2kq2 h ALA 58 CO 0.02 0.75 0.25 1.25 0.00 0.00 0.00 179.25 181.51 2kq2 h LEU 59 N 0.34 0.88 -1.01 0.00 6.46 0.07 -1.61 115.31 120.43 2kq2 h LEU 59 Ca -0.04 -0.13 -0.10 0.00 -0.12 0.00 0.00 57.88 57.49 2kq2 h LEU 59 Cb 1.37 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 2kq2 h LEU 59 CO 0.14 0.79 -0.46 0.22 -0.62 0.00 0.00 178.44 178.52 2kq2 h TYR 60 N 0.94 0.09 -0.16 1.25 3.20 -1.18 -2.15 116.97 118.96 2kq2 h TYR 60 Ca 0.22 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 2kq2 h TYR 60 Cb 0.20 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 2kq2 h TYR 60 CO 0.01 0.52 -0.27 0.00 -1.64 0.00 0.00 178.16 176.79 2kq2 h ALA 61 N 1.47 1.26 -0.51 1.82 0.00 -1.09 -1.79 119.26 120.42 2kq2 h ALA 61 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2kq2 h ALA 61 Cb 0.84 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2kq2 h ALA 61 CO 0.06 0.50 0.18 0.28 0.00 0.00 0.00 179.25 180.26 2kq2 h VAL 62 N 0.26 1.20 -0.34 0.00 2.07 -0.68 -1.04 116.25 117.71 2kq2 h VAL 62 Ca 0.04 -0.65 -0.12 0.00 0.82 0.00 0.00 66.70 66.79 2kq2 h VAL 62 Cb 0.62 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2kq2 h VAL 62 CO 0.04 0.25 -0.26 0.50 0.02 0.00 0.00 177.57 178.12 2kq2 h LYS 63 N 0.73 0.70 -0.62 1.57 3.64 -1.03 -2.32 116.57 119.24 2kq2 h LYS 63 Ca 0.17 -0.29 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 2kq2 h LYS 63 Cb 0.19 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2kq2 h LYS 63 CO -0.01 0.88 0.23 0.87 -2.27 0.00 0.00 179.45 179.15 2kq2 h LYS 64 N 0.60 0.91 -0.65 1.90 1.79 -0.59 -1.51 116.57 119.03 2kq2 h LYS 64 Ca 0.08 -0.15 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 2kq2 h LYS 64 Cb 0.75 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.22 2kq2 h LYS 64 CO 0.06 0.76 0.32 0.00 -1.08 0.00 0.00 179.45 179.50 2kq2 h ALA 65 N 1.36 1.34 -0.21 3.86 0.00 -0.84 -1.37 119.26 123.39 2kq2 h ALA 65 Ca 0.21 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2kq2 h ALA 65 Cb 0.20 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2kq2 h ALA 65 CO -0.02 0.52 -0.14 1.03 0.00 0.00 0.00 179.25 180.64 2kq2 h SER 66 N 0.91 0.34 -0.22 0.00 0.87 -0.80 0.11 113.55 114.76 2kq2 h SER 66 Ca 0.23 -0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 2kq2 h SER 66 Cb 0.09 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2kq2 h SER 66 CO -0.03 0.51 -0.11 1.56 -0.53 0.00 0.00 176.83 178.23 2kq2 h GLN 67 N 0.33 0.61 0.00 2.24 1.08 -0.30 -2.54 115.11 116.52 2kq2 h GLN 67 Ca 0.06 -0.18 -0.13 0.00 -1.45 0.00 0.00 58.65 56.95 2kq2 h GLN 67 Cb 0.45 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 2kq2 h GLN 67 CO 0.03 0.71 -0.76 -0.07 -0.95 0.00 0.00 178.83 177.78 2kq2 h LEU 68 N 0.56 0.00 0.00 1.46 4.07 -0.94 -3.48 115.31 116.98 2kq2 h LEU 68 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 2kq2 h LEU 68 Cb 0.52 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 2kq2 h LEU 68 CO 0.03 0.58 0.00 0.61 -1.08 0.00 0.00 178.44 178.58 2kq2 n GLY 69 N 1.28 1.49 3.55 0.83 0.00 0.22 -5.10 105.19 107.45 2kq2 n GLY 69 Ca -0.01 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 1.90 0.20 1.61 -7.23 -0.17 -5.00 120.40 109.71 2kq2 s VAL 70 Ca 0.00 -2.08 -0.00 0.00 -1.81 0.00 0.00 61.98 58.09 2kq2 s VAL 70 Cb 0.00 -2.79 0.00 0.00 0.56 0.00 0.00 36.38 34.15 2kq2 s VAL 70 CO 0.00 -0.10 0.25 2.29 -0.31 0.00 0.00 175.10 177.23 2kq2 n LYS 71 N -0.82 0.37 -4.10 4.82 0.00 -1.26 -3.92 118.16 113.24 2kq2 n LYS 71 Ca -0.05 -1.63 -0.29 0.00 -0.00 0.00 0.00 58.31 56.34 2kq2 n LYS 71 Cb 0.65 1.52 -0.07 0.00 -0.00 0.00 0.00 35.03 37.14 2kq2 n LYS 71 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 2kq2 s ILE 72 N -2.67 4.25 -0.30 0.58 -4.36 -0.43 -4.61 121.20 113.65 2kq2 s ILE 72 Ca 0.17 -0.98 0.01 0.00 -0.26 0.00 0.00 60.65 59.59 2kq2 s ILE 72 Cb -0.00 -3.08 0.09 0.00 1.25 0.00 0.00 42.46 40.72 2kq2 s ILE 72 CO 0.12 0.05 0.06 0.00 0.24 0.00 0.00 174.94 175.42 2kq2 s ARG 73 N -2.57 1.01 0.00 0.37 1.70 -1.26 -4.82 118.95 113.38 2kq2 s ARG 73 Ca 0.28 -1.24 0.06 0.00 -0.47 0.00 0.00 55.73 54.36 2kq2 s ARG 73 Cb -0.11 -2.38 -0.03 0.00 -0.57 0.00 0.00 34.95 31.86 2kq2 s ARG 73 CO 0.21 -0.91 -0.16 0.96 -1.08 0.00 0.00 175.30 174.31 2kq2 s ILE 74 N 1.42 2.90 -0.37 4.99 -4.36 -1.26 -5.00 121.20 119.50 2kq2 s ILE 74 Ca 0.08 -1.00 -0.38 0.00 -0.26 0.00 0.00 60.65 59.09 2kq2 s ILE 74 Cb -0.18 -2.18 -0.14 0.00 1.25 0.00 0.00 42.46 41.21 2kq2 s ILE 74 CO -0.18 0.44 2.10 0.18 0.24 0.00 0.00 174.94 177.73 2kq2 n LEU 75 N 1.86 1.83 0.00 0.37 4.32 -1.26 -4.65 117.00 119.47 2kq2 n LEU 75 Ca -0.16 0.59 0.00 0.00 -0.02 0.00 0.00 56.01 56.42 2kq2 n LEU 75 Cb 0.52 -1.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.17 2kq2 n LEU 75 CO 0.26 -0.69 0.05 0.00 -1.22 0.00 0.00 177.39 175.79 2kq2 n HIS 76 N 8.52 0.00 -4.24 -1.77 1.44 -1.26 -4.71 115.22 113.20 2kq2 n HIS 76 Ca 0.42 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 56.16 2kq2 n HIS 76 Cb 0.14 0.09 -0.01 0.00 0.12 0.00 0.00 29.99 30.34 2kq2 n HIS 76 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2kq2 n ASP 77 N 0.00 -6.08 -0.38 4.39 8.00 -1.26 -4.51 116.55 116.71 2kq2 n ASP 77 Ca 0.00 0.23 0.06 0.00 0.71 0.00 0.00 54.79 55.79 2kq2 n ASP 77 Cb 0.43 -0.64 0.02 0.00 -0.02 0.00 0.00 41.12 40.91 2kq2 n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kq2 n TYR 78 N -2.23 0.00 0.11 1.24 0.18 -1.26 -4.72 117.16 110.47 2kq2 n TYR 78 Ca 0.00 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.65 2kq2 n TYR 78 Cb 0.10 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.00 2kq2 n TYR 78 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2kq2 h ALA 79 N 2.33 -0.50 -0.34 -3.48 0.00 -2.01 0.04 119.26 115.31 2kq2 h ALA 79 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2kq2 h ALA 79 Cb 0.47 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2kq2 h ALA 79 CO 0.00 -0.84 -0.06 0.78 0.00 0.00 0.00 179.25 179.13 2kq2 h GLY 80 N -0.51 0.59 1.03 0.00 0.00 -1.84 -3.07 103.07 99.27 2kq2 h GLY 80 Ca 0.03 -0.38 -0.22 0.00 0.00 0.00 0.00 47.33 46.77 2kq2 h GLY 80 CO -0.19 0.35 -0.83 -2.22 0.00 0.00 0.00 176.54 173.66 2kq2 h ILE 81 N 0.51 1.33 -0.95 2.60 2.04 -1.78 -3.31 117.51 117.96 2kq2 h ILE 81 Ca 0.10 -2.13 0.02 0.00 1.00 0.00 0.00 64.86 63.85 2kq2 h ILE 81 Cb 0.42 2.40 -0.05 0.00 -0.74 0.00 0.00 36.82 38.86 2kq2 h ILE 81 CO 0.02 0.65 0.62 0.00 0.00 0.00 0.00 178.15 179.44 2kq2 h ALA 82 N 0.39 1.35 -0.55 1.87 0.00 -0.91 -2.45 119.26 118.96 2kq2 h ALA 82 Ca -0.10 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2kq2 h ALA 82 Cb 1.50 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2kq2 h ALA 82 CO 0.16 0.59 0.11 0.35 0.00 0.00 0.00 179.25 180.46 2kq2 h PHE 83 N 1.25 0.95 0.00 0.00 3.04 -1.63 -0.94 116.94 119.61 2kq2 h PHE 83 Ca 0.36 -0.12 -0.04 0.00 3.98 0.00 0.00 57.97 62.14 2kq2 h PHE 83 Cb -0.10 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.14 2kq2 h PHE 83 CO -0.00 0.83 -0.18 -1.49 -2.02 0.00 0.00 178.31 175.45 2kq2 h TRP 84 N 0.80 0.00 0.00 0.41 4.06 -1.61 0.50 115.95 120.11 2kq2 h TRP 84 Ca 0.17 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.12 2kq2 h TRP 84 Cb 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 2kq2 h TRP 84 CO 0.03 0.18 -0.50 0.00 -3.56 0.00 0.00 178.44 174.58 2kq2 h ALA 85 N 1.82 0.75 0.07 1.49 0.00 -0.96 -3.33 119.26 119.09 2kq2 h ALA 85 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 2kq2 h ALA 85 Cb 0.83 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2kq2 h ALA 85 CO 0.02 0.00 -2.14 0.25 0.00 0.00 0.00 179.25 177.38 2kq2 n THR 86 N -2.85 1.65 -0.04 0.00 -2.24 -0.41 -1.84 114.28 108.55 2kq2 n THR 86 Ca 0.02 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2kq2 n THR 86 Cb 0.54 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 2kq2 n THR 86 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kq2 n GLY 87 N 2.02 0.32 0.29 3.38 0.00 0.15 -4.85 105.19 106.49 2kq2 n GLY 87 Ca -0.35 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 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 1.03 -6.34 1.61 5.08 -1.90 -3.46 114.58 110.60 2kq2 h GLU 88 Ca 0.00 -0.41 -0.49 0.00 -1.00 0.00 0.00 59.36 57.46 2kq2 h GLU 88 Cb 0.00 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 2kq2 h GLU 88 CO 0.00 1.10 -0.25 -1.58 -1.00 0.00 0.00 179.01 177.28 2kq2 s TRP 89 N -4.76 2.10 -0.31 4.33 0.51 -1.26 -5.04 118.94 114.51 2kq2 s TRP 89 Ca -0.11 -0.62 -0.29 0.00 -2.12 0.00 0.00 56.10 52.96 2kq2 s TRP 89 Cb 0.13 -2.18 -0.01 0.00 -0.81 0.00 0.00 33.47 30.60 2kq2 s TRP 89 CO 0.87 -0.59 1.55 0.15 -0.51 0.00 0.00 176.95 178.41 2kq2 s LYS 90 N -4.38 3.66 -0.96 4.98 1.02 -1.26 -4.94 119.74 117.86 2kq2 s LYS 90 Ca 0.51 1.35 -0.14 0.00 0.02 0.00 0.00 55.97 57.72 2kq2 s LYS 90 Cb -0.05 -4.04 0.21 0.00 -0.52 0.00 0.00 37.83 33.43 2kq2 s LYS 90 CO 0.31 -1.45 0.99 0.00 -0.92 0.00 0.00 175.35 174.28 2kq2 s ALA 91 N 5.46 4.08 -0.27 5.17 0.00 -1.26 -4.79 121.76 130.16 2kq2 s ALA 91 Ca 0.68 -3.34 -0.18 0.00 0.00 0.00 0.00 51.96 49.12 2kq2 s ALA 91 Cb -0.20 -3.70 0.03 0.00 0.00 0.00 0.00 23.12 19.24 2kq2 s ALA 91 CO 0.30 -2.46 0.35 1.17 0.00 0.00 0.00 175.76 175.12 2kq2 n LYS 92 N 4.38 -1.53 -1.17 0.00 3.00 -1.26 -1.78 118.16 119.80 2kq2 n LYS 92 Ca 0.21 1.40 -0.06 0.00 -0.00 0.00 0.00 58.31 59.86 2kq2 n LYS 92 Cb 0.45 -2.39 -0.02 0.00 0.00 0.00 0.00 35.03 33.06 2kq2 n LYS 92 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2kq2 n ASN 93 N 0.44 -5.34 0.00 3.14 3.02 -1.26 -1.71 115.26 113.54 2kq2 n ASN 93 Ca -0.02 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 2kq2 n ASN 93 Cb 0.52 -3.34 0.00 0.00 -0.61 0.00 0.00 39.78 36.35 2kq2 n ASN 93 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2kq2 n GLU 94 N -0.63 -1.18 -0.04 3.52 -0.58 -0.73 -4.78 120.64 116.20 2kq2 n GLU 94 Ca -0.06 0.30 -0.16 0.00 -0.42 0.00 0.00 57.16 56.82 2kq2 n GLU 94 Cb 0.46 -4.66 -0.07 0.00 -0.57 0.00 0.00 31.44 26.61 2kq2 n GLU 94 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 2kq2 h PHE 95 N 0.00 0.85 0.00 -0.32 3.57 -1.31 -3.08 116.94 116.65 2kq2 h PHE 95 Ca 0.00 -0.34 -0.10 0.00 3.53 0.00 0.00 57.97 61.06 2kq2 h PHE 95 Cb 0.59 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2kq2 h PHE 95 CO 0.37 1.13 -0.45 1.15 -2.23 0.00 0.00 178.31 178.28 2kq2 h THR 96 N 0.33 1.13 -0.34 4.41 2.02 -1.25 -1.82 112.91 117.40 2kq2 h THR 96 Ca -0.02 -1.67 0.05 0.00 0.77 0.00 0.00 66.41 65.54 2kq2 h THR 96 Cb 1.15 1.95 -0.04 0.00 -1.74 0.00 0.00 68.15 69.47 2kq2 h THR 96 CO 0.11 0.45 0.08 -0.61 0.37 0.00 0.00 175.52 175.92 2kq2 h GLN 97 N 0.00 0.20 -0.09 6.66 4.15 -1.39 0.51 115.11 125.14 2kq2 h GLN 97 Ca -0.00 -0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.26 2kq2 h GLN 97 Cb 0.92 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.55 2kq2 h GLN 97 CO 0.06 0.13 -0.58 0.00 -1.93 0.00 0.00 178.83 176.51 2kq2 h ALA 98 N 1.24 0.85 -0.26 3.38 0.00 -1.43 -3.02 119.26 120.03 2kq2 h ALA 98 Ca 0.16 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 2kq2 h ALA 98 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2kq2 h ALA 98 CO -0.20 0.71 -0.22 -0.92 0.00 0.00 0.00 179.25 178.62 2kq2 h TYR 99 N 0.21 0.52 -0.55 0.00 3.20 -0.67 -2.85 116.97 116.83 2kq2 h TYR 99 Ca -0.00 -0.10 0.15 0.00 3.14 0.00 0.00 58.73 61.92 2kq2 h TYR 99 Cb 1.08 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 2kq2 h TYR 99 CO 0.02 0.66 0.39 0.00 -1.64 0.00 0.00 178.16 177.60 2kq2 h ALA 100 N 1.34 2.48 -0.92 1.82 0.00 0.14 0.41 119.26 124.53 2kq2 h ALA 100 Ca 0.07 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.07 2kq2 h ALA 100 Cb 0.62 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 2kq2 h ALA 100 CO 0.04 -0.64 0.56 -0.22 0.00 0.00 0.00 179.25 178.99 2kq2 h LYS 101 N 0.03 0.86 0.00 0.00 1.63 -1.11 -1.06 116.57 116.92 2kq2 h LYS 101 Ca 0.26 -0.05 -0.20 0.00 -0.85 0.00 0.00 60.65 59.81 2kq2 h LYS 101 Cb 1.01 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 32.41 2kq2 h LYS 101 CO -0.01 0.57 -2.00 1.28 -3.45 0.00 0.00 179.45 175.84 2kq2 n LEU 102 N -4.69 0.00 0.03 5.20 4.32 -0.52 -4.04 117.00 117.29 2kq2 n LEU 102 Ca 0.17 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 56.03 2kq2 n LEU 102 Cb 0.34 0.26 -0.09 0.00 -1.62 0.00 0.00 43.42 42.31 2kq2 n LEU 102 CO 0.26 0.26 0.66 -0.03 -1.22 0.00 0.00 177.39 177.33 2kq2 h MET 103 N 0.00 -0.07 0.00 3.23 4.05 -0.02 -2.81 114.93 119.31 2kq2 h MET 103 Ca -0.29 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.10 2kq2 h MET 103 Cb 1.59 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.40 2kq2 h MET 103 CO 0.02 0.30 -0.18 -0.97 0.23 0.00 0.00 176.91 176.30 2kq2 h ASN 104 N -0.45 0.00 -0.91 1.39 -1.24 -1.42 -2.68 115.58 110.27 2kq2 h ASN 104 Ca -0.01 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.06 2kq2 h ASN 104 Cb 0.40 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.39 2kq2 h ASN 104 CO 0.01 0.18 0.58 -0.61 -1.29 0.00 0.00 177.43 176.31 2kq2 h GLN 105 N 0.00 1.05 0.05 6.67 4.15 -1.65 -3.02 115.11 122.37 2kq2 h GLN 105 Ca -0.00 -0.06 -0.28 0.00 0.77 0.00 0.00 58.65 59.08 2kq2 h GLN 105 Cb 0.89 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 28.31 2kq2 h GLN 105 CO 0.02 0.70 -1.47 -0.92 -1.93 0.00 0.00 178.83 175.23 2kq2 h TYR 106 N 1.09 0.20 -4.27 3.99 3.20 -1.24 -3.47 116.97 116.46 2kq2 h TYR 106 Ca 0.39 -0.14 -0.51 0.00 3.14 0.00 0.00 58.73 61.61 2kq2 h TYR 106 Cb 0.11 -0.01 0.09 0.00 1.54 0.00 0.00 36.73 38.46 2kq2 h TYR 106 CO -0.02 1.18 0.36 1.03 -1.64 0.00 0.00 178.16 179.08 2kq2 s ARG 107 N -2.63 2.94 0.00 1.82 1.81 -1.04 -4.63 118.95 117.22 2kq2 s ARG 107 Ca -0.06 1.12 0.00 0.00 -1.72 0.00 0.00 55.73 55.07 2kq2 s ARG 107 Cb 0.08 -1.98 0.00 0.00 -0.45 0.00 0.00 34.95 32.60 2kq2 s ARG 107 CO 0.83 -1.11 0.00 0.41 -0.68 0.00 0.00 175.30 174.75 2kq2 n GLY 108 N -1.37 -0.39 0.07 -3.53 0.00 -1.26 -4.92 105.19 93.78 2kq2 n GLY 108 Ca 0.08 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 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 1.68 -3.88 -0.61 1.08 -1.92 -3.46 117.51 110.40 2kq2 h ILE 109 Ca 0.00 -3.34 -0.18 0.00 -0.39 0.00 0.00 64.86 60.95 2kq2 h ILE 109 Cb 0.13 2.81 -0.23 0.00 -3.07 0.00 0.00 36.82 36.46 2kq2 h ILE 109 CO 0.00 0.95 -0.69 -0.72 -0.69 0.00 0.00 178.15 177.00 2kq2 s TYR 110 N -2.75 0.18 0.08 1.37 1.13 -1.26 -1.32 117.35 114.79 2kq2 s TYR 110 Ca 0.01 -0.37 -0.20 0.00 -1.41 0.00 0.00 57.07 55.10 2kq2 s TYR 110 Cb 0.10 -0.13 0.05 0.00 -1.10 0.00 0.00 41.96 40.87 2kq2 s TYR 110 CO 0.82 -0.15 0.49 -1.12 -2.51 0.00 0.00 175.55 173.07 2kq2 s SER 111 N -1.11 -0.38 -0.03 -0.18 0.01 -1.26 -5.08 113.70 105.68 2kq2 s SER 111 Ca -0.12 -0.01 0.07 0.00 1.31 0.00 0.00 55.95 57.20 2kq2 s SER 111 Cb -0.07 0.49 -0.02 0.00 0.21 0.00 0.00 66.02 66.63 2kq2 s SER 111 CO -0.01 -0.78 -0.22 -0.36 0.41 0.00 0.00 173.24 172.28 2kq2 s PHE 112 N -3.01 2.04 0.03 2.43 0.08 -1.26 -4.87 117.98 113.43 2kq2 s PHE 112 Ca -0.02 -0.44 0.01 0.00 0.12 0.00 0.00 56.93 56.60 2kq2 s PHE 112 Cb -0.00 -1.32 -0.02 0.00 -0.57 0.00 0.00 43.02 41.11 2kq2 s PHE 112 CO -0.06 -0.07 -0.06 -2.00 -0.10 0.00 0.00 175.22 172.93 2kq2 s GLU 113 N -0.43 0.41 -0.83 0.44 -6.30 -1.26 -5.11 118.70 105.63 2kq2 s GLU 113 Ca 0.06 -0.60 -0.16 0.00 -2.50 0.00 0.00 54.97 51.76 2kq2 s GLU 113 Cb -0.10 -0.16 0.17 0.00 0.00 0.00 0.00 34.13 34.05 2kq2 s GLU 113 CO 0.00 0.02 0.88 0.15 0.02 0.00 0.00 175.26 176.33 2kq2 s LYS 114 N -1.29 3.52 0.21 4.30 1.02 -1.26 -4.60 119.74 121.64 2kq2 s LYS 114 Ca -0.10 -2.07 0.05 0.00 0.02 0.00 0.00 55.97 53.87 2kq2 s LYS 114 Cb -0.09 -4.58 -0.03 0.00 -0.52 0.00 0.00 37.83 32.61 2kq2 s LYS 114 CO -0.00 -1.49 0.26 0.08 -0.92 0.00 0.00 175.35 173.28 2kq2 s VAL 115 N 1.36 4.93 0.16 3.17 1.01 -0.68 -4.95 120.40 125.39 2kq2 s VAL 115 Ca 0.22 -1.05 -0.28 0.00 0.00 0.00 0.00 61.98 60.87 2kq2 s VAL 115 Cb -0.10 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 2kq2 s VAL 115 CO -0.07 -0.24 0.89 -0.75 0.00 0.00 0.00 175.10 174.93 2kq2 s LYS 116 N -3.62 4.71 -0.38 2.72 2.20 -1.26 -1.26 119.74 122.84 2kq2 s LYS 116 Ca 0.33 1.36 -0.29 0.00 -0.36 0.00 0.00 55.97 57.01 2kq2 s LYS 116 Cb -0.09 -3.32 -0.08 0.00 -1.51 0.00 0.00 37.83 32.82 2kq2 s LYS 116 CO 0.27 0.40 2.31 0.00 -0.36 0.00 0.00 175.35 177.96 2kq2 n ALA 117 N 2.11 1.21 -1.15 3.13 0.00 -1.24 -4.69 120.51 119.89 2kq2 n ALA 117 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2kq2 n ALA 117 Cb 0.48 -2.87 0.00 0.00 0.00 0.00 0.00 19.45 17.06 2kq2 n ALA 117 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2kq2 n HIS 118 N 12.44 0.00 0.10 0.00 1.44 -1.26 -4.88 115.22 123.06 2kq2 n HIS 118 Ca 0.37 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 56.18 2kq2 n HIS 118 Cb 0.39 0.02 0.58 0.00 0.12 0.00 0.00 29.99 31.10 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 0.00 0.17 -2.11 4.39 0.02 -2.00 -3.46 113.55 110.55 2kq2 h SER 119 Ca 0.00 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2kq2 h SER 119 Cb 0.85 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 63.38 2kq2 h SER 119 CO 0.00 0.11 -0.10 0.61 -1.14 0.00 0.00 176.83 176.32 2kq2 n GLY 120 N -1.54 0.52 3.47 -3.77 0.00 -1.26 -5.07 105.19 97.54 2kq2 n GLY 120 Ca 0.03 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.12 3.82 0.13 1.61 3.84 -1.26 -5.04 114.94 114.92 2kq2 s ASN 121 Ca 0.04 -0.47 -0.18 0.00 0.21 0.00 0.00 52.86 52.45 2kq2 s ASN 121 Cb -0.02 -0.58 -0.03 0.00 -0.55 0.00 0.00 41.25 40.07 2kq2 s ASN 121 CO 0.10 0.23 1.76 -0.33 -2.79 0.00 0.00 177.10 176.07 2kq2 h GLU 122 N 4.27 0.40 0.00 0.43 3.07 -1.99 0.98 114.58 121.74 2kq2 h GLU 122 Ca -0.48 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.25 2kq2 h GLU 122 Cb 1.16 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 2kq2 h GLU 122 CO 0.47 0.30 -0.45 0.74 -1.40 0.00 0.00 179.01 178.67 2kq2 h PHE 123 N 0.38 0.00 -0.20 4.33 0.04 -1.99 -2.34 116.94 117.16 2kq2 h PHE 123 Ca 0.11 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.79 2kq2 h PHE 123 Cb 0.01 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2kq2 h PHE 123 CO -0.04 0.45 -0.23 -0.97 -0.60 0.00 0.00 178.31 176.92 2kq2 h ASN 124 N 0.00 0.54 0.61 2.17 -1.24 -1.77 -2.72 115.58 113.16 2kq2 h ASN 124 Ca -0.00 -0.49 -0.07 0.00 0.71 0.00 0.00 56.30 56.44 2kq2 h ASN 124 Cb 0.92 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.81 2kq2 h ASN 124 CO 0.06 0.92 -0.33 -0.78 -1.29 0.00 0.00 177.43 176.01 2kq2 h ASP 125 N 0.16 0.00 -0.45 1.15 3.58 -0.76 -2.35 116.42 117.76 2kq2 h ASP 125 Ca 0.03 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.39 2kq2 h ASP 125 Cb 0.78 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 2kq2 h ASP 125 CO 0.05 0.33 -0.07 0.22 -2.88 0.00 0.00 179.24 176.89 2kq2 h TYR 126 N 0.00 0.93 0.00 0.28 3.20 -1.24 -0.38 116.97 119.76 2kq2 h TYR 126 Ca -0.00 -0.19 -0.14 0.00 3.14 0.00 0.00 58.73 61.54 2kq2 h TYR 126 Cb 0.72 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 2kq2 h TYR 126 CO 0.00 0.92 -0.68 -0.24 -1.64 0.00 0.00 178.16 176.52 2kq2 h VAL 127 N 0.67 1.39 -0.19 1.81 3.04 -1.35 -2.90 116.25 118.72 2kq2 h VAL 127 Ca 0.12 -2.42 -0.05 0.00 -1.01 0.00 0.00 66.70 63.34 2kq2 h VAL 127 Cb 0.60 2.34 -0.01 0.00 -2.01 0.00 0.00 31.29 32.21 2kq2 h VAL 127 CO 0.04 0.67 -0.09 -0.78 -1.01 0.00 0.00 177.57 176.39 2kq2 h ASP 128 N 0.00 0.42 -0.17 3.17 3.58 -1.15 0.93 116.42 123.21 2kq2 h ASP 128 Ca -0.01 -0.41 -0.02 0.00 0.42 0.00 0.00 57.03 57.01 2kq2 h ASP 128 Cb 1.28 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 2kq2 h ASP 128 CO 0.09 0.74 0.05 0.00 -2.88 0.00 0.00 179.24 177.24 2kq2 h MET 129 N 0.10 0.33 -0.30 0.28 -0.00 -1.10 0.15 114.93 114.39 2kq2 h MET 129 Ca 0.04 -0.04 -0.10 0.00 -0.00 0.00 0.00 59.70 59.60 2kq2 h MET 129 Cb 0.58 -0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 32.11 2kq2 h MET 129 CO 0.03 0.32 -0.22 0.87 -0.00 0.00 0.00 176.91 177.91 2kq2 h LYS 130 N 0.33 0.67 -0.58 -0.10 1.57 -1.29 -2.24 116.57 114.93 2kq2 h LYS 130 Ca 0.08 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2kq2 h LYS 130 Cb 0.14 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2kq2 h LYS 130 CO -0.00 0.93 0.35 0.00 -0.57 0.00 0.00 179.45 180.15 2kq2 h ALA 131 N 0.73 0.74 -0.08 3.86 0.00 0.35 0.20 119.26 125.07 2kq2 h ALA 131 Ca 0.06 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2kq2 h ALA 131 Cb 0.77 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2kq2 h ALA 131 CO 0.06 0.23 -0.08 0.87 0.00 0.00 0.00 179.25 180.33 2kq2 h LYS 132 N 0.79 -0.10 -0.63 0.00 1.57 -0.75 -1.45 116.57 116.00 2kq2 h LYS 132 Ca 0.21 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 2kq2 h LYS 132 Cb -0.01 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2kq2 h LYS 132 CO -0.04 -0.06 0.33 0.77 -0.57 0.00 0.00 179.45 179.88 2kq2 h SER 133 N -0.10 0.79 0.49 0.86 0.02 -0.98 0.20 113.55 114.83 2kq2 h SER 133 Ca 0.06 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 2kq2 h SER 133 Cb 0.18 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2kq2 h SER 133 CO -0.14 0.65 -0.26 0.00 -1.14 0.00 0.00 176.83 175.94 2kq2 h ALA 134 N 1.48 1.26 0.00 3.77 0.00 -0.13 -2.37 119.26 123.27 2kq2 h ALA 134 Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kq2 h ALA 134 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kq2 h ALA 134 CO -0.03 0.32 -0.64 -0.07 0.00 0.00 0.00 179.25 178.83 2kq2 h LEU 135 N 0.00 0.00 0.00 0.00 3.38 -0.38 -3.47 115.31 114.84 2kq2 h LEU 135 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2kq2 h LEU 135 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2kq2 h LEU 135 CO 0.03 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.21 2kq2 n GLY 136 N 1.22 1.53 3.75 0.83 0.00 -0.75 -5.10 105.19 106.67 2kq2 n GLY 136 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 4.06 0.03 -0.61 -1.09 -0.03 -4.87 121.20 116.70 2kq2 s ILE 137 Ca 0.00 1.96 0.00 0.00 -2.23 0.00 0.00 60.65 60.38 2kq2 s ILE 137 Cb 0.00 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 2kq2 s ILE 137 CO 0.00 0.42 0.00 -1.14 -1.23 0.00 0.00 174.94 172.99 2kq2 n ARG 138 N 1.81 -0.29 -1.58 2.79 0.63 -1.26 -4.38 116.66 114.38 2kq2 n ARG 138 Ca -0.01 0.19 -0.30 0.00 -0.92 0.00 0.00 57.85 56.82 2kq2 n ARG 138 Cb 0.47 -0.36 0.08 0.00 0.45 0.00 0.00 32.46 33.11 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 -4.10 4.65 0.00 6.15 2.15 -1.26 -4.91 116.67 119.35 2kq2 s ASP 139 Ca 0.00 1.33 0.00 0.00 0.43 0.00 0.00 52.55 54.31 2kq2 s ASP 139 Cb 0.00 -2.09 0.00 0.00 -0.30 0.00 0.00 42.92 40.53 2kq2 s ASP 139 CO 0.00 -1.87 0.65 0.18 -0.17 0.00 0.00 175.17 173.96 2kq2 n LEU 140 N -3.37 1.61 0.27 -1.34 4.77 -1.26 -3.91 117.00 113.77 2kq2 n LEU 140 Ca 0.07 -0.80 0.13 0.00 -0.03 0.00 0.00 56.01 55.37 2kq2 n LEU 140 Cb 0.56 -0.49 0.78 0.00 -2.33 0.00 0.00 43.42 41.94 2kq2 n LEU 140 CO 0.56 0.32 1.04 -0.33 -1.33 0.00 0.00 177.39 177.66 2kq2 h GLU 141 N 0.03 0.00 -6.44 3.23 5.08 -1.96 -3.41 114.58 111.11 2kq2 h GLU 141 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 2kq2 h GLU 141 Cb 0.65 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2kq2 h GLU 141 CO 0.00 0.07 0.25 -1.01 -1.00 0.00 0.00 179.01 177.31 2kq2 s HIS 142 N -4.50 3.79 -0.42 4.33 3.76 -1.25 -4.97 115.29 116.03 2kq2 s HIS 142 Ca -0.04 1.63 -0.27 0.00 -0.15 0.00 0.00 55.06 56.23 2kq2 s HIS 142 Cb 0.15 -2.91 -0.03 0.00 1.11 0.00 0.00 32.58 30.89 2kq2 s HIS 142 CO 0.59 0.27 1.95 -1.58 -0.85 0.00 0.00 174.74 175.12 2kq2 s HIS 143 N -0.17 1.59 -0.60 1.40 2.46 -1.26 -4.91 115.29 113.80 2kq2 s HIS 143 Ca 0.42 0.80 -0.20 0.00 0.47 0.00 0.00 55.06 56.54 2kq2 s HIS 143 Cb -0.22 -4.02 0.08 0.00 -0.13 0.00 0.00 32.58 28.30 2kq2 s HIS 143 CO 0.26 -2.83 0.79 -1.58 -2.47 0.00 0.00 174.74 168.91 2kq2 s HIS 144 N 8.44 2.89 0.27 3.88 5.04 -1.26 -5.01 115.29 129.54 2kq2 s HIS 144 Ca 0.81 -0.72 -0.31 0.00 -1.54 0.00 0.00 55.06 53.30 2kq2 s HIS 144 Cb -0.20 -4.03 -0.12 0.00 0.04 0.00 0.00 32.58 28.27 2kq2 s HIS 144 CO 0.29 -1.37 1.55 -2.39 -2.34 0.00 0.00 174.74 170.48 2kq2 n HIS 145 N 6.79 2.64 -0.09 3.88 1.44 -1.26 -4.93 115.22 123.70 2kq2 n HIS 145 Ca -0.07 0.29 -0.11 0.00 -2.01 0.00 0.00 57.72 55.82 2kq2 n HIS 145 Cb 0.44 -2.56 -0.05 0.00 0.12 0.00 0.00 29.99 27.94 2kq2 n HIS 145 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2kq2 n HIS 146 N 2.23 0.77 -1.47 -1.40 8.25 -1.26 -5.10 115.22 117.24 2kq2 n HIS 146 Ca 0.10 0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.90 2kq2 n HIS 146 Cb 0.35 -0.83 0.00 0.00 1.12 0.00 0.00 29.99 30.62 2kq2 n HIS 146 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59