#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 6.74 -0.01 7.83 -1.08 -1.26 -4.95 116.67 123.94 2kq2 s ASP 2 Ca 0.00 0.88 0.05 0.00 -0.52 0.00 0.00 52.55 52.95 2kq2 s ASP 2 Cb 0.00 -2.30 0.13 0.00 -1.46 0.00 0.00 42.92 39.29 2kq2 s ASP 2 CO 0.00 0.01 1.10 -0.90 0.52 0.00 0.00 175.17 175.91 2kq2 n ASP 3 N 3.53 2.37 -0.65 -0.34 5.75 -1.26 -4.60 116.55 121.35 2kq2 n ASP 3 Ca -0.07 -2.04 0.07 0.00 -0.01 0.00 0.00 54.79 52.74 2kq2 n ASP 3 Cb 0.52 -0.10 0.11 0.00 -1.03 0.00 0.00 41.12 40.61 2kq2 n ASP 3 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2kq2 n ARG 4 N -0.15 1.62 -3.56 0.11 1.74 -1.26 -4.81 116.66 110.34 2kq2 n ARG 4 Ca 0.05 -1.64 -0.41 0.00 -0.77 0.00 0.00 57.85 55.08 2kq2 n ARG 4 Cb 0.33 -1.29 -0.09 0.00 -1.02 0.00 0.00 32.46 30.39 2kq2 n ARG 4 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2kq2 s THR 5 N -1.11 4.22 0.00 0.55 -4.23 -1.26 -5.00 115.64 108.81 2kq2 s THR 5 Ca 0.21 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 2kq2 s THR 5 Cb 0.13 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 70.21 2kq2 s THR 5 CO 0.18 -0.74 0.00 -0.62 -0.54 0.00 0.00 174.62 172.90 2kq2 n GLU 6 N 4.91 0.00 -4.45 3.99 1.02 -1.26 -4.90 120.64 119.95 2kq2 n GLU 6 Ca -0.08 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.81 2kq2 n GLU 6 Cb 0.41 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.73 2kq2 n GLU 6 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2kq2 s TYR 7 N 0.00 2.44 -0.21 -0.32 2.02 -1.26 -4.97 117.35 115.05 2kq2 s TYR 7 Ca 0.00 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 2kq2 s TYR 7 Cb 0.00 -1.33 0.05 0.00 -0.40 0.00 0.00 41.96 40.28 2kq2 s TYR 7 CO 0.00 0.58 -0.06 0.16 -1.57 0.00 0.00 175.55 174.66 2kq2 s ASP 8 N -3.63 3.48 -0.02 2.29 -4.77 -1.26 -4.89 116.67 107.87 2kq2 s ASP 8 Ca 0.33 -0.98 0.03 0.00 -3.30 0.00 0.00 52.55 48.62 2kq2 s ASP 8 Cb -0.00 -1.10 -0.00 0.00 -1.09 0.00 0.00 42.92 40.72 2kq2 s ASP 8 CO 0.17 -0.21 -0.11 -0.69 0.70 0.00 0.00 175.17 175.04 2kq2 s VAL 9 N 1.47 0.90 0.02 2.11 1.01 -1.26 -3.83 120.40 120.82 2kq2 s VAL 9 Ca -0.03 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.56 2kq2 s VAL 9 Cb -0.17 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2kq2 s VAL 9 CO -0.07 0.27 -0.16 -0.72 0.00 0.00 0.00 175.10 174.42 2kq2 s TYR 10 N 0.08 1.43 0.00 5.22 1.13 -1.26 -4.98 117.35 118.98 2kq2 s TYR 10 Ca -0.02 -0.33 0.02 0.00 -1.41 0.00 0.00 57.07 55.34 2kq2 s TYR 10 Cb -0.08 -0.88 0.03 0.00 -1.10 0.00 0.00 41.96 39.93 2kq2 s TYR 10 CO 0.01 0.03 0.84 -2.37 -2.51 0.00 0.00 175.55 171.54 2kq2 n THR 11 N 2.17 0.00 -1.84 -3.49 5.66 -1.26 -3.50 114.28 112.02 2kq2 n THR 11 Ca -0.17 -0.07 -0.40 0.00 -3.05 0.00 0.00 64.05 60.36 2kq2 n THR 11 Cb 0.54 0.36 -0.03 0.00 -1.55 0.00 0.00 70.33 69.66 2kq2 n THR 11 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2kq2 s ASP 12 N -0.72 5.31 0.32 1.09 -1.08 -1.26 -4.90 116.67 115.43 2kq2 s ASP 12 Ca 0.03 1.11 -0.03 0.00 -0.52 0.00 0.00 52.55 53.14 2kq2 s ASP 12 Cb 0.03 -2.52 -0.00 0.00 -1.46 0.00 0.00 42.92 38.97 2kq2 s ASP 12 CO -0.01 -2.20 0.44 -0.83 0.52 0.00 0.00 175.17 173.08 2kq2 s GLY 13 N 8.43 1.47 -0.04 2.66 0.00 -1.26 -4.71 107.32 113.86 2kq2 s GLY 13 Ca 0.84 -1.52 0.01 0.00 0.00 0.00 0.00 44.72 44.06 2kq2 s GLY 13 CO 0.29 -1.03 -0.07 -0.56 0.00 0.00 0.00 173.10 171.73 2kq2 s SER 14 N -3.22 1.11 0.57 1.64 0.01 -1.26 -3.16 113.70 109.39 2kq2 s SER 14 Ca 0.31 -0.17 -0.13 0.00 1.31 0.00 0.00 55.95 57.28 2kq2 s SER 14 Cb 0.00 -0.51 -0.05 0.00 0.21 0.00 0.00 66.02 65.67 2kq2 s SER 14 CO 0.19 -0.02 1.00 -0.72 0.41 0.00 0.00 173.24 174.10 2kq2 s TYR 15 N 0.76 3.56 -0.19 2.43 1.13 -1.26 -5.03 117.35 118.74 2kq2 s TYR 15 Ca -0.11 1.33 0.01 0.00 -1.41 0.00 0.00 57.07 56.89 2kq2 s TYR 15 Cb -0.14 -2.72 0.03 0.00 -1.10 0.00 0.00 41.96 38.03 2kq2 s TYR 15 CO 0.01 -0.54 -0.15 0.54 -2.51 0.00 0.00 175.55 172.90 2kq2 s VAL 16 N -2.94 1.90 -1.45 -3.49 0.11 -0.72 -4.75 120.40 109.07 2kq2 s VAL 16 Ca 0.56 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 2kq2 s VAL 16 Cb -0.11 -1.83 0.00 0.00 -1.53 0.00 0.00 36.38 32.91 2kq2 s VAL 16 CO 0.45 0.35 0.00 0.59 -3.33 0.00 0.00 175.10 173.15 2kq2 n ASN 17 N 4.63 -4.91 0.00 3.54 4.13 -1.26 -0.44 115.26 120.94 2kq2 n ASN 17 Ca -0.18 0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.19 2kq2 n ASN 17 Cb 0.48 -4.14 0.00 0.00 -1.54 0.00 0.00 39.78 34.58 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 -0.88 2.32 3.69 7.41 0.00 -1.26 -5.03 105.19 111.44 2kq2 n GLY 18 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.74 4.41 0.04 1.61 -1.52 0.41 -5.03 119.66 118.84 2kq2 s GLN 19 Ca 0.00 1.54 0.03 0.00 -1.95 0.00 0.00 55.36 54.98 2kq2 s GLN 19 Cb 0.00 -3.52 -0.02 0.00 -0.22 0.00 0.00 33.01 29.25 2kq2 s GLN 19 CO 0.00 -0.33 -0.09 1.52 -0.25 0.00 0.00 175.29 176.14 2kq2 s TYR 20 N 1.90 0.78 -0.02 0.91 1.13 -1.26 -1.75 117.35 119.03 2kq2 s TYR 20 Ca 0.53 -0.39 0.02 0.00 -1.41 0.00 0.00 57.07 55.81 2kq2 s TYR 20 Cb -0.22 -0.47 0.00 0.00 -1.10 0.00 0.00 41.96 40.18 2kq2 s TYR 20 CO 0.22 -0.03 -0.06 0.00 -2.51 0.00 0.00 175.55 173.16 2kq2 s ALA 21 N -1.04 0.62 -0.03 9.51 0.00 -1.26 -4.52 121.76 125.04 2kq2 s ALA 21 Ca -0.05 -0.22 -0.27 0.00 0.00 0.00 0.00 51.96 51.42 2kq2 s ALA 21 Cb -0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 2kq2 s ALA 21 CO 0.01 0.10 0.85 1.67 0.00 0.00 0.00 175.76 178.38 2kq2 s TRP 22 N 0.21 3.62 -0.28 0.00 1.48 -0.38 -4.91 118.94 118.68 2kq2 s TRP 22 Ca -0.02 1.50 -0.21 0.00 -1.06 0.00 0.00 56.10 56.30 2kq2 s TRP 22 Cb -0.07 -2.98 0.12 0.00 -1.16 0.00 0.00 33.47 29.38 2kq2 s TRP 22 CO -0.00 0.04 0.93 0.00 -4.06 0.00 0.00 176.95 173.86 2kq2 s ALA 23 N 0.91 -2.04 0.35 2.67 0.00 -1.26 -1.33 121.76 121.06 2kq2 s ALA 23 Ca 0.45 2.08 -0.01 0.00 0.00 0.00 0.00 51.96 54.48 2kq2 s ALA 23 Cb -0.20 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.43 2kq2 s ALA 23 CO 0.24 -0.30 0.48 2.48 0.00 0.00 0.00 175.76 178.65 2kq2 n TYR 24 N 3.06 -1.41 -3.80 0.00 0.18 -1.25 -4.89 117.16 109.05 2kq2 n TYR 24 Ca -0.16 -2.39 -0.13 0.00 1.88 0.00 0.00 57.90 57.11 2kq2 n TYR 24 Cb 0.57 0.54 -0.14 0.00 -0.38 0.00 0.00 39.34 39.92 2kq2 n TYR 24 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2kq2 s ALA 25 N -2.82 -0.16 -0.77 -3.48 0.00 -1.23 -1.23 121.76 112.07 2kq2 s ALA 25 Ca 0.30 0.36 -0.24 0.00 0.00 0.00 0.00 51.96 52.39 2kq2 s ALA 25 Cb -0.01 -0.24 0.06 0.00 0.00 0.00 0.00 23.12 22.93 2kq2 s ALA 25 CO 0.21 -0.08 1.17 -0.06 0.00 0.00 0.00 175.76 177.00 2kq2 s PHE 26 N 0.56 2.57 0.18 0.00 0.08 0.82 -4.00 117.98 118.18 2kq2 s PHE 26 Ca -0.04 -0.52 -0.13 0.00 0.12 0.00 0.00 56.93 56.36 2kq2 s PHE 26 Cb -0.06 -4.47 -0.07 0.00 -0.57 0.00 0.00 43.02 37.85 2kq2 s PHE 26 CO -0.02 -1.83 0.55 0.54 -0.10 0.00 0.00 175.22 174.37 2kq2 s VAL 27 N 4.63 4.87 -0.21 -0.44 0.11 -1.25 -2.67 120.40 125.44 2kq2 s VAL 27 Ca 0.32 0.73 -0.04 0.00 -2.93 0.00 0.00 61.98 60.05 2kq2 s VAL 27 Cb -0.10 -3.70 0.07 0.00 -1.53 0.00 0.00 36.38 31.13 2kq2 s VAL 27 CO 0.06 0.14 0.10 -0.75 -3.33 0.00 0.00 175.10 171.32 2kq2 s LYS 28 N -2.24 0.16 -1.36 1.54 2.47 0.28 -4.41 119.74 116.18 2kq2 s LYS 28 Ca 0.41 -0.28 0.00 0.00 -1.56 0.00 0.00 55.97 54.54 2kq2 s LYS 28 Cb -0.14 -1.64 0.00 0.00 -1.46 0.00 0.00 37.83 34.60 2kq2 s LYS 28 CO 0.20 -0.79 0.00 -3.47 0.16 0.00 0.00 175.35 171.45 2kq2 n ASP 29 N 5.24 -4.50 0.00 1.43 2.03 -1.26 -1.75 116.55 117.74 2kq2 n ASP 29 Ca -0.07 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.47 2kq2 n ASP 29 Cb 0.46 -3.34 0.00 0.00 -0.72 0.00 0.00 41.12 37.52 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 -1.23 0.46 3.84 0.27 0.00 -1.26 -4.81 105.19 102.46 2kq2 n GLY 30 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 2kq2 n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kq2 s LYS 31 N -0.88 3.34 -0.40 1.61 3.01 -0.72 -5.08 119.74 120.63 2kq2 s LYS 31 Ca 0.00 -0.19 -0.15 0.00 -1.01 0.00 0.00 55.97 54.61 2kq2 s LYS 31 Cb 0.00 -3.10 0.01 0.00 -1.01 0.00 0.00 37.83 33.73 2kq2 s LYS 31 CO 0.00 0.76 0.34 0.08 0.51 0.00 0.00 175.35 177.04 2kq2 s VAL 32 N -1.00 5.20 -0.07 3.17 1.01 -1.26 0.99 120.40 128.44 2kq2 s VAL 32 Ca 0.15 -0.47 0.14 0.00 0.00 0.00 0.00 61.98 61.80 2kq2 s VAL 32 Cb -0.12 -3.93 -0.21 0.00 0.00 0.00 0.00 36.38 32.11 2kq2 s VAL 32 CO 0.04 -0.30 0.22 1.57 0.00 0.00 0.00 175.10 176.63 2kq2 n HIS 33 N 5.30 0.00 -4.03 5.22 -0.00 -1.09 -5.00 115.22 115.63 2kq2 n HIS 33 Ca -0.10 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 57.96 2kq2 n HIS 33 Cb 0.48 -0.50 -0.12 0.00 -0.12 0.00 0.00 29.99 29.73 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 -2.77 0.46 0.05 1.57 2.02 -1.17 -5.03 117.35 112.48 2kq2 s TYR 34 Ca -0.06 -0.45 -0.27 0.00 -0.37 0.00 0.00 57.07 55.92 2kq2 s TYR 34 Cb 0.08 -0.29 0.07 0.00 -0.40 0.00 0.00 41.96 41.42 2kq2 s TYR 34 CO 0.62 -0.11 0.64 -1.83 -1.57 0.00 0.00 175.55 173.30 2kq2 s GLU 35 N -1.32 1.17 0.31 -0.62 -1.05 -1.26 -0.13 118.70 115.80 2kq2 s GLU 35 Ca -0.11 -0.10 0.03 0.00 -0.15 0.00 0.00 54.97 54.65 2kq2 s GLU 35 Cb -0.09 0.54 -0.04 0.00 -0.44 0.00 0.00 34.13 34.11 2kq2 s GLU 35 CO -0.00 -0.44 0.15 0.16 0.95 0.00 0.00 175.26 176.07 2kq2 s ASP 36 N -1.96 1.61 0.00 0.83 -4.77 -0.36 -4.99 116.67 107.03 2kq2 s ASP 36 Ca -0.05 -1.54 0.00 0.00 -3.30 0.00 0.00 52.55 47.66 2kq2 s ASP 36 Cb -0.00 0.36 0.00 0.00 -1.09 0.00 0.00 42.92 42.18 2kq2 s ASP 36 CO -0.01 -0.87 0.00 0.00 0.70 0.00 0.00 175.17 174.99 2kq2 n ALA 37 N -0.60 0.00 -3.75 2.11 0.00 -1.26 -3.83 120.51 113.18 2kq2 n ALA 37 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2kq2 n ALA 37 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.08 2kq2 n ALA 37 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kq2 s ASP 38 N 0.00 -0.30 0.68 0.00 2.15 -0.44 -5.01 116.67 113.76 2kq2 s ASP 38 Ca 0.00 -0.44 0.00 0.00 0.43 0.00 0.00 52.55 52.55 2kq2 s ASP 38 Cb 0.00 0.64 0.12 0.00 -0.30 0.00 0.00 42.92 43.39 2kq2 s ASP 38 CO 0.00 -1.16 0.87 1.33 -0.17 0.00 0.00 175.17 176.04 2kq2 n VAL 39 N -0.44 0.00 -2.17 1.11 0.24 -1.26 -1.24 118.33 114.57 2kq2 n VAL 39 Ca -0.07 -1.41 -0.31 0.00 -2.04 0.00 0.00 64.34 60.52 2kq2 n VAL 39 Cb 0.60 -0.93 -0.05 0.00 -1.47 0.00 0.00 33.84 32.00 2kq2 n VAL 39 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2kq2 s GLY 40 N -4.75 0.45 0.00 7.63 0.00 -1.26 -4.75 107.32 104.64 2kq2 s GLY 40 Ca 0.58 -2.03 0.00 0.00 0.00 0.00 0.00 44.72 43.27 2kq2 s GLY 40 CO 0.38 3.35 0.00 0.28 0.00 0.00 0.00 173.10 177.11 2kq2 n LYS 41 N 8.56 1.62 -3.58 2.90 5.02 -1.26 -5.13 118.16 126.29 2kq2 n LYS 41 Ca 0.42 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.44 2kq2 n LYS 41 Cb 0.47 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.45 2kq2 n LYS 41 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2kq2 s ASN 42 N -0.90 6.40 0.55 4.39 -0.87 -1.26 -4.90 114.94 118.35 2kq2 s ASN 42 Ca 0.00 0.49 0.29 0.00 -1.57 0.00 0.00 52.86 52.07 2kq2 s ASN 42 Cb 0.00 -2.05 1.46 0.00 -0.02 0.00 0.00 41.25 40.64 2kq2 s ASN 42 CO 0.00 -0.10 1.91 -0.65 -2.57 0.00 0.00 177.10 175.69 2kq2 h PRO 43 N 1.85 0.00 -0.86 -0.60 0.11 -2.00 0.13 132.00 130.63 2kq2 h PRO 43 Ca -0.48 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.68 2kq2 h PRO 43 Cb 1.19 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 2kq2 h PRO 43 CO 0.67 0.00 0.54 0.00 -0.21 0.00 0.00 178.00 179.00 2kq2 h ALA 44 N 1.56 1.16 0.00 -0.75 0.00 -2.01 -0.85 119.26 118.36 2kq2 h ALA 44 Ca 0.32 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.97 2kq2 h ALA 44 Cb 1.38 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2kq2 h ALA 44 CO -0.00 0.31 -1.49 0.00 0.00 0.00 0.00 179.25 178.06 2kq2 h ALA 45 N 1.39 0.69 0.00 0.00 0.00 -1.25 -3.31 119.26 116.79 2kq2 h ALA 45 Ca 0.36 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2kq2 h ALA 45 Cb 0.13 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kq2 h ALA 45 CO -0.16 1.30 0.00 0.00 0.00 0.00 0.00 179.25 180.40 2kq2 h ALA 46 N 1.15 1.00 -0.89 0.00 0.00 -0.42 -1.91 119.26 118.19 2kq2 h ALA 46 Ca -0.21 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kq2 h ALA 46 Cb 1.83 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.57 2kq2 h ALA 46 CO 0.07 0.00 0.55 1.15 0.00 0.00 0.00 179.25 181.02 2kq2 h THR 47 N 0.00 1.24 -2.79 0.00 2.02 -1.25 -3.49 112.91 108.64 2kq2 h THR 47 Ca 0.00 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2kq2 h THR 47 Cb 0.22 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 2kq2 h THR 47 CO 0.00 0.25 -0.43 0.23 0.37 0.00 0.00 175.52 175.93 2kq2 n MET 48 N -4.37 -2.44 0.00 6.66 2.81 -0.72 -4.57 117.12 114.49 2kq2 n MET 48 Ca 0.10 2.02 0.12 0.00 -1.81 0.00 0.00 57.70 58.13 2kq2 n MET 48 Cb 0.05 -2.11 0.21 0.00 -0.71 0.00 0.00 33.22 30.66 2kq2 n MET 48 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2kq2 n ARG 49 N 0.84 2.09 0.07 0.03 1.85 -1.26 -4.01 116.66 116.27 2kq2 n ARG 49 Ca 0.00 -1.62 0.00 0.00 -1.00 0.00 0.00 57.85 55.23 2kq2 n ARG 49 Cb 0.00 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 29.94 2kq2 n ARG 49 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2kq2 n ASN 50 N 0.96 0.79 0.22 2.89 2.85 -1.26 -4.84 115.26 116.87 2kq2 n ASN 50 Ca 0.15 0.22 0.05 0.00 -0.11 0.00 0.00 54.58 54.90 2kq2 n ASN 50 Cb 0.53 -0.15 0.49 0.00 1.24 0.00 0.00 39.78 41.89 2kq2 n ASN 50 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2kq2 h VAL 51 N 0.00 1.10 0.00 3.44 2.07 -1.94 -2.45 116.25 118.47 2kq2 h VAL 51 Ca 0.00 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2kq2 h VAL 51 Cb 0.02 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2kq2 h VAL 51 CO 0.00 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.81 2kq2 h ALA 52 N 1.78 1.00 -0.50 1.67 0.00 -1.81 -1.25 119.26 120.16 2kq2 h ALA 52 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2kq2 h ALA 52 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2kq2 h ALA 52 CO 0.03 0.00 0.33 0.78 0.00 0.00 0.00 179.25 180.39 2kq2 h GLY 53 N 0.75 0.70 1.33 0.00 0.00 -1.73 0.42 103.07 104.53 2kq2 h GLY 53 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 47.33 46.90 2kq2 h GLY 53 CO 0.00 0.25 -0.55 0.83 0.00 0.00 0.00 176.54 177.08 2kq2 h GLU 54 N 0.67 0.71 -0.68 4.80 3.07 -1.44 -3.21 114.58 118.49 2kq2 h GLU 54 Ca 0.18 -0.45 -0.08 0.00 -0.50 0.00 0.00 59.36 58.52 2kq2 h GLU 54 Cb -0.07 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 2kq2 h GLU 54 CO -0.04 1.07 0.12 0.82 -1.40 0.00 0.00 179.01 179.57 2kq2 h ILE 55 N 0.54 1.26 -0.33 3.13 1.08 -0.99 -2.66 117.51 119.55 2kq2 h ILE 55 Ca 0.01 -1.03 -0.00 0.00 -0.39 0.00 0.00 64.86 63.45 2kq2 h ILE 55 Cb 1.12 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 35.46 2kq2 h ILE 55 CO 0.11 0.39 0.20 0.00 -0.69 0.00 0.00 178.15 178.16 2kq2 h ALA 56 N 1.07 1.74 -0.51 1.87 0.00 -0.19 0.20 119.26 123.44 2kq2 h ALA 56 Ca 0.21 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 2kq2 h ALA 56 Cb 0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2kq2 h ALA 56 CO 0.01 0.24 -0.16 0.00 0.00 0.00 0.00 179.25 179.34 2kq2 h ALA 57 N 1.77 0.71 0.00 0.00 0.00 -1.50 -2.92 119.26 117.32 2kq2 h ALA 57 Ca 0.12 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 2kq2 h ALA 57 Cb -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2kq2 h ALA 57 CO -0.02 0.66 -0.44 0.00 0.00 0.00 0.00 179.25 179.44 2kq2 h ALA 58 N 0.89 0.78 0.25 0.00 0.00 -1.17 -3.28 119.26 116.72 2kq2 h ALA 58 Ca 0.12 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.64 2kq2 h ALA 58 Cb 0.73 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2kq2 h ALA 58 CO 0.06 0.56 -0.46 1.25 0.00 0.00 0.00 179.25 180.65 2kq2 h LEU 59 N 0.00 -1.33 -1.16 0.00 6.46 -0.44 0.44 115.31 119.28 2kq2 h LEU 59 Ca -0.00 0.13 -0.08 0.00 -0.12 0.00 0.00 57.88 57.81 2kq2 h LEU 59 Cb 1.22 0.48 -0.01 0.00 -0.73 0.00 0.00 40.66 41.61 2kq2 h LEU 59 CO 0.06 -0.55 -0.39 1.88 -0.62 0.00 0.00 178.44 178.82 2kq2 h TYR 60 N -0.78 0.00 -0.15 1.25 0.05 -1.68 -0.11 116.97 115.55 2kq2 h TYR 60 Ca -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 2kq2 h TYR 60 Cb 0.75 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.48 2kq2 h TYR 60 CO -0.34 0.39 0.06 0.00 -1.05 0.00 0.00 178.16 177.21 2kq2 h ALA 61 N 1.61 0.19 -0.16 3.88 0.00 -1.47 -1.74 119.26 121.58 2kq2 h ALA 61 Ca -0.00 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2kq2 h ALA 61 Cb 0.76 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2kq2 h ALA 61 CO 0.05 -0.21 -0.55 0.28 0.00 0.00 0.00 179.25 178.81 2kq2 h VAL 62 N 0.08 1.33 -0.15 0.00 2.07 -0.73 -1.71 116.25 117.14 2kq2 h VAL 62 Ca 0.05 -1.82 0.02 0.00 0.82 0.00 0.00 66.70 65.77 2kq2 h VAL 62 Cb 0.18 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2kq2 h VAL 62 CO -0.00 0.56 0.04 0.50 0.02 0.00 0.00 177.57 178.68 2kq2 h LYS 63 N 0.38 0.10 0.00 1.57 3.64 -0.85 -2.47 116.57 118.94 2kq2 h LYS 63 Ca 0.01 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2kq2 h LYS 63 Cb 1.08 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 2kq2 h LYS 63 CO 0.10 0.07 -0.59 1.57 -2.27 0.00 0.00 179.45 178.33 2kq2 h LYS 64 N 0.10 0.00 -0.84 1.90 2.10 -1.32 -3.09 116.57 115.43 2kq2 h LYS 64 Ca 0.07 0.00 0.17 0.00 -2.00 0.00 0.00 60.65 58.88 2kq2 h LYS 64 Cb 0.06 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.32 2kq2 h LYS 64 CO -0.09 0.59 0.55 0.00 -2.00 0.00 0.00 179.45 178.50 2kq2 h ALA 65 N 1.41 2.08 -0.55 0.07 0.00 -0.84 0.24 119.26 121.67 2kq2 h ALA 65 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2kq2 h ALA 65 Cb 1.23 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2kq2 h ALA 65 CO 0.08 -0.32 0.25 1.03 0.00 0.00 0.00 179.25 180.28 2kq2 h SER 66 N 0.48 0.71 0.12 0.00 0.87 -1.42 0.93 113.55 115.23 2kq2 h SER 66 Ca 0.42 -0.07 -0.26 0.00 -1.23 0.00 0.00 61.79 60.64 2kq2 h SER 66 Cb 0.93 -0.18 0.02 0.00 -0.44 0.00 0.00 62.40 62.72 2kq2 h SER 66 CO -0.16 0.62 -1.06 1.56 -0.53 0.00 0.00 176.83 177.26 2kq2 h GLN 67 N 0.78 0.61 0.00 2.24 7.50 -0.76 -3.12 115.11 122.36 2kq2 h GLN 67 Ca 0.19 -0.69 -0.04 0.00 0.50 0.00 0.00 58.65 58.62 2kq2 h GLN 67 Cb 0.11 0.20 -0.01 0.00 0.05 0.00 0.00 27.48 27.84 2kq2 h GLN 67 CO -0.02 1.28 -0.19 -0.07 -1.50 0.00 0.00 178.83 178.32 2kq2 h LEU 68 N 0.33 0.00 -0.16 1.46 -0.00 -0.68 -3.47 115.31 112.79 2kq2 h LEU 68 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.75 2kq2 h LEU 68 Cb 1.71 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.37 2kq2 h LEU 68 CO 0.20 0.19 0.00 0.61 -0.00 0.00 0.00 178.44 179.44 2kq2 n GLY 69 N -0.39 1.18 3.21 0.83 0.00 0.21 -5.08 105.19 105.14 2kq2 n GLY 69 Ca -0.01 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.16 1.77 0.33 1.61 -7.23 -0.51 -5.03 120.40 109.18 2kq2 s VAL 70 Ca 0.00 -0.91 -0.09 0.00 -1.81 0.00 0.00 61.98 59.17 2kq2 s VAL 70 Cb 0.00 -1.50 0.02 0.00 0.56 0.00 0.00 36.38 35.45 2kq2 s VAL 70 CO 0.00 0.50 0.57 -1.59 -0.31 0.00 0.00 175.10 174.27 2kq2 s LYS 71 N -0.09 1.92 0.39 4.82 -2.85 -1.26 -4.28 119.74 118.38 2kq2 s LYS 71 Ca -0.03 -1.53 0.04 0.00 -1.00 0.00 0.00 55.97 53.45 2kq2 s LYS 71 Cb -0.13 0.51 -0.02 0.00 -2.06 0.00 0.00 37.83 36.13 2kq2 s LYS 71 CO 0.03 -0.83 0.16 0.96 0.10 0.00 0.00 175.35 175.77 2kq2 s ILE 72 N -3.09 0.45 -0.22 3.79 -5.25 -0.51 -4.25 121.20 112.13 2kq2 s ILE 72 Ca 0.24 -2.00 -0.03 0.00 -0.99 0.00 0.00 60.65 57.87 2kq2 s ILE 72 Cb -0.02 -2.37 0.07 0.00 2.95 0.00 0.00 42.46 43.09 2kq2 s ILE 72 CO 0.15 0.00 0.06 -0.60 -1.79 0.00 0.00 174.94 172.76 2kq2 s ARG 73 N -3.66 0.53 -0.17 0.37 3.52 -1.26 -4.55 118.95 113.73 2kq2 s ARG 73 Ca 0.27 -0.50 -0.20 0.00 -0.13 0.00 0.00 55.73 55.17 2kq2 s ARG 73 Cb 0.02 -1.95 -0.03 0.00 -1.56 0.00 0.00 34.95 31.44 2kq2 s ARG 73 CO 0.17 -0.75 0.60 0.42 -0.81 0.00 0.00 175.30 174.93 2kq2 s ILE 74 N 1.88 5.07 0.00 4.11 1.01 -1.24 -4.94 121.20 127.09 2kq2 s ILE 74 Ca 0.02 1.14 0.00 0.00 0.00 0.00 0.00 60.65 61.82 2kq2 s ILE 74 Cb -0.17 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.38 2kq2 s ILE 74 CO -0.14 0.18 0.00 0.00 0.00 0.00 0.00 174.94 174.97 2kq2 n LEU 75 N 4.61 0.00 -4.66 2.97 -0.00 -1.26 -4.53 117.00 114.12 2kq2 n LEU 75 Ca -0.03 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.61 2kq2 n LEU 75 Cb 0.50 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.83 2kq2 n LEU 75 CO 0.44 -0.10 -0.09 -1.00 -0.00 0.00 0.00 177.39 176.65 2kq2 s HIS 76 N 0.00 3.33 0.31 1.47 3.76 -1.26 -5.05 115.29 117.85 2kq2 s HIS 76 Ca 0.00 0.35 -0.29 0.00 -0.15 0.00 0.00 55.06 54.97 2kq2 s HIS 76 Cb 0.00 -2.35 -0.11 0.00 1.11 0.00 0.00 32.58 31.22 2kq2 s HIS 76 CO 0.00 0.04 1.54 -0.51 -0.85 0.00 0.00 174.74 174.96 2kq2 s ASP 77 N 1.06 6.41 0.21 1.40 1.01 -1.26 -4.89 116.67 120.60 2kq2 s ASP 77 Ca 0.11 2.94 0.03 0.00 0.71 0.00 0.00 52.55 56.35 2kq2 s ASP 77 Cb -0.14 -2.64 0.03 0.00 1.01 0.00 0.00 42.92 41.18 2kq2 s ASP 77 CO 0.06 -0.87 0.27 -1.22 0.21 0.00 0.00 175.17 173.62 2kq2 n TYR 78 N 1.65 -2.60 0.14 4.23 4.02 -1.26 -5.03 117.16 118.31 2kq2 n TYR 78 Ca 0.06 -0.76 0.02 0.00 -0.01 0.00 0.00 57.90 57.20 2kq2 n TYR 78 Cb 0.38 -0.19 0.08 0.00 -0.02 0.00 0.00 39.34 39.59 2kq2 n TYR 78 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kq2 h ALA 79 N 0.40 0.70 -0.61 -0.72 0.00 -1.99 -3.25 119.26 113.79 2kq2 h ALA 79 Ca -0.10 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2kq2 h ALA 79 Cb 0.45 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2kq2 h ALA 79 CO 0.14 0.68 0.39 0.78 0.00 0.00 0.00 179.25 181.24 2kq2 h GLY 80 N 3.07 0.86 0.94 0.00 0.00 -1.98 0.45 103.07 106.42 2kq2 h GLY 80 Ca -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 2kq2 h GLY 80 CO 0.07 0.33 0.03 -2.22 0.00 0.00 0.00 176.54 174.75 2kq2 h ILE 81 N 0.83 1.06 -0.55 2.60 1.08 -1.97 -2.84 117.51 117.72 2kq2 h ILE 81 Ca 0.22 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.51 2kq2 h ILE 81 Cb -0.07 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 2kq2 h ILE 81 CO -0.05 0.05 0.00 0.00 -0.69 0.00 0.00 178.15 177.47 2kq2 n ALA 82 N -2.14 2.49 -0.06 1.87 0.00 -1.09 -4.55 120.51 117.03 2kq2 n ALA 82 Ca -0.06 -1.01 -0.08 0.00 0.00 0.00 0.00 53.44 52.29 2kq2 n ALA 82 Cb 0.06 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 2kq2 n ALA 82 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2kq2 h PHE 83 N 3.23 0.04 0.00 0.00 3.57 -0.65 -0.50 116.94 122.63 2kq2 h PHE 83 Ca 0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 2kq2 h PHE 83 Cb 0.81 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 2kq2 h PHE 83 CO 0.40 -0.01 -0.25 -1.49 -2.23 0.00 0.00 178.31 174.74 2kq2 h TRP 84 N 0.11 0.00 0.00 0.41 6.55 -1.80 -2.61 115.95 118.62 2kq2 h TRP 84 Ca 0.12 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.96 2kq2 h TRP 84 Cb 0.14 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.44 2kq2 h TRP 84 CO -0.18 0.25 -0.49 0.00 -1.05 0.00 0.00 178.44 176.97 2kq2 h ALA 85 N 1.75 0.71 -0.00 1.49 0.00 -1.51 -3.23 119.26 118.47 2kq2 h ALA 85 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kq2 h ALA 85 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kq2 h ALA 85 CO 0.03 0.00 -0.00 0.25 0.00 0.00 0.00 179.25 179.53 2kq2 n THR 86 N -2.46 0.00 0.00 0.00 -2.24 -0.33 -4.75 114.28 104.50 2kq2 n THR 86 Ca 0.03 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2kq2 n THR 86 Cb 0.48 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 1.03 0.55 0.22 3.38 0.00 -1.22 -4.96 105.19 104.18 2kq2 n GLY 87 Ca 0.23 -0.71 0.15 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.64 1.61 4.11 -1.80 -3.44 114.58 111.42 2kq2 h GLU 88 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 2kq2 h GLU 88 Cb 0.00 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.08 2kq2 h GLU 88 CO 0.00 0.00 -0.43 -0.46 0.07 0.00 0.00 179.01 178.19 2kq2 s TRP 89 N -3.45 0.10 -0.26 2.06 -0.11 -1.26 -5.11 118.94 110.90 2kq2 s TRP 89 Ca 0.04 -0.35 -0.29 0.00 1.22 0.00 0.00 56.10 56.72 2kq2 s TRP 89 Cb 0.09 -0.06 -0.03 0.00 -1.50 0.00 0.00 33.47 31.97 2kq2 s TRP 89 CO 0.53 -0.42 1.75 0.15 -4.62 0.00 0.00 176.95 174.34 2kq2 s LYS 90 N -2.63 3.56 -0.58 5.86 3.01 -1.26 -4.94 119.74 122.76 2kq2 s LYS 90 Ca -0.05 1.60 -0.19 0.00 -1.01 0.00 0.00 55.97 56.33 2kq2 s LYS 90 Cb -0.01 -4.13 0.10 0.00 -1.01 0.00 0.00 37.83 32.77 2kq2 s LYS 90 CO -0.04 -1.59 0.69 0.00 0.51 0.00 0.00 175.35 174.92 2kq2 s ALA 91 N 6.13 3.41 -0.18 5.17 0.00 -1.26 -4.83 121.76 130.19 2kq2 s ALA 91 Ca 0.78 -2.16 0.22 0.00 0.00 0.00 0.00 51.96 50.80 2kq2 s ALA 91 Cb -0.25 -3.50 0.48 0.00 0.00 0.00 0.00 23.12 19.85 2kq2 s ALA 91 CO 0.32 -2.30 1.14 0.36 0.00 0.00 0.00 175.76 175.28 2kq2 n LYS 92 N 6.30 1.33 0.00 0.00 2.85 -1.26 -4.75 118.16 122.64 2kq2 n LYS 92 Ca -0.09 -3.09 0.00 0.00 -1.05 0.00 0.00 58.31 54.08 2kq2 n LYS 92 Cb 0.43 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 33.64 2kq2 n LYS 92 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2kq2 n ASN 93 N -0.29 0.00 0.00 -5.58 4.13 -1.26 -5.12 115.26 107.14 2kq2 n ASN 93 Ca 0.10 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.36 2kq2 n ASN 93 Cb 0.91 -0.04 0.00 0.00 -1.54 0.00 0.00 39.78 39.11 2kq2 n ASN 93 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2kq2 n GLU 94 N -1.52 0.00 -0.33 3.52 2.13 -1.26 -4.98 120.64 118.20 2kq2 n GLU 94 Ca 0.00 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.88 2kq2 n GLU 94 Cb 0.00 0.00 0.25 0.00 0.27 0.00 0.00 31.44 31.96 2kq2 n GLU 94 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2kq2 h PHE 95 N 0.00 1.06 -0.58 4.31 -0.00 -1.99 -1.34 116.94 118.40 2kq2 h PHE 95 Ca 0.00 0.03 -0.04 0.00 -0.00 0.00 0.00 57.97 57.96 2kq2 h PHE 95 Cb 0.00 -0.34 -0.02 0.00 -0.00 0.00 0.00 35.95 35.58 2kq2 h PHE 95 CO 0.00 0.49 0.19 0.00 -0.00 0.00 0.00 178.31 178.99 2kq2 h THR 96 N 0.98 1.24 -0.32 0.88 1.03 -1.97 0.15 112.91 114.90 2kq2 h THR 96 Ca 0.44 -0.78 -0.10 0.00 -0.01 0.00 0.00 66.41 65.96 2kq2 h THR 96 Cb 0.38 0.66 -0.01 0.00 -1.07 0.00 0.00 68.15 68.11 2kq2 h THR 96 CO -0.20 0.30 -0.17 1.56 -0.01 0.00 0.00 175.52 177.00 2kq2 h GLN 97 N 0.80 0.69 -0.36 0.00 1.08 -1.68 -0.44 115.11 115.20 2kq2 h GLN 97 Ca 0.19 -0.31 0.02 0.00 -1.45 0.00 0.00 58.65 57.10 2kq2 h GLN 97 Cb 0.26 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 2kq2 h GLN 97 CO -0.01 0.90 0.19 0.00 -0.95 0.00 0.00 178.83 178.96 2kq2 h ALA 98 N 0.77 0.44 -0.29 3.87 0.00 -1.01 0.10 119.26 123.13 2kq2 h ALA 98 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2kq2 h ALA 98 Cb 0.71 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2kq2 h ALA 98 CO 0.05 -0.17 -0.28 -0.92 0.00 0.00 0.00 179.25 177.93 2kq2 h TYR 99 N 0.39 0.67 -0.53 0.00 3.20 -0.66 -0.78 116.97 119.27 2kq2 h TYR 99 Ca 0.15 -0.16 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 2kq2 h TYR 99 Cb 0.04 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 2kq2 h TYR 99 CO -0.09 0.81 0.19 0.00 -1.64 0.00 0.00 178.16 177.43 2kq2 h ALA 100 N 1.19 0.69 -0.14 1.82 0.00 -0.58 0.33 119.26 122.57 2kq2 h ALA 100 Ca 0.07 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2kq2 h ALA 100 Cb 0.74 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2kq2 h ALA 100 CO 0.06 0.33 -0.33 -0.22 0.00 0.00 0.00 179.25 179.08 2kq2 h LYS 101 N 0.72 0.27 -0.44 0.00 3.64 -0.79 -0.94 116.57 119.04 2kq2 h LYS 101 Ca 0.17 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 2kq2 h LYS 101 Cb 0.24 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2kq2 h LYS 101 CO -0.01 0.58 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.56 2kq2 h LEU 102 N 0.24 0.87 -1.16 5.20 3.38 -0.63 -2.50 115.31 120.71 2kq2 h LEU 102 Ca 0.03 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 2kq2 h LEU 102 Cb 0.71 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2kq2 h LEU 102 CO 0.05 1.04 0.37 -0.03 0.09 0.00 0.00 178.44 179.96 2kq2 h MET 103 N 0.69 0.95 -0.14 1.13 4.05 0.18 -1.61 114.93 120.18 2kq2 h MET 103 Ca 0.11 -0.10 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 2kq2 h MET 103 Cb 0.67 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 2kq2 h MET 103 CO 0.05 0.70 -0.22 -0.97 0.23 0.00 0.00 176.91 176.70 2kq2 h ASN 104 N 0.95 0.23 -0.50 1.39 -1.24 -1.04 -2.73 115.58 112.65 2kq2 h ASN 104 Ca 0.24 -0.06 0.05 0.00 0.71 0.00 0.00 56.30 57.24 2kq2 h ASN 104 Cb 0.04 -0.06 -0.05 0.00 0.73 0.00 0.00 38.32 38.98 2kq2 h ASN 104 CO -0.04 0.47 0.24 1.56 -1.29 0.00 0.00 177.43 178.37 2kq2 h GLN 105 N 0.22 0.46 -0.69 6.67 1.08 -0.83 -2.38 115.11 119.64 2kq2 h GLN 105 Ca 0.04 -0.03 -0.18 0.00 -1.45 0.00 0.00 58.65 57.03 2kq2 h GLN 105 Cb 0.52 -0.10 -0.10 0.00 -0.05 0.00 0.00 27.48 27.74 2kq2 h GLN 105 CO 0.04 0.30 0.21 2.48 -0.95 0.00 0.00 178.83 180.91 2kq2 n TYR 106 N -4.90 2.33 -2.16 2.96 0.18 -1.12 -4.95 117.16 109.50 2kq2 n TYR 106 Ca 0.04 -1.13 -0.43 0.00 1.88 0.00 0.00 57.90 58.26 2kq2 n TYR 106 Cb 0.14 -0.65 -0.02 0.00 -0.38 0.00 0.00 39.34 38.43 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 -2.97 3.87 -0.29 -3.48 1.81 -0.90 -4.29 118.95 112.70 2kq2 s ARG 107 Ca 0.55 1.67 -0.07 0.00 -1.72 0.00 0.00 55.73 56.15 2kq2 s ARG 107 Cb 0.43 -4.00 0.01 0.00 -0.45 0.00 0.00 34.95 30.95 2kq2 s ARG 107 CO 0.13 -1.19 0.27 0.41 -0.68 0.00 0.00 175.30 174.24 2kq2 n GLY 108 N 4.50 -2.36 0.26 -3.53 0.00 -1.26 -4.91 105.19 97.90 2kq2 n GLY 108 Ca 0.18 0.68 -0.06 0.00 0.00 0.00 0.00 46.02 46.82 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 1.88 1.26 -4.01 -0.61 5.03 -1.89 -3.43 117.51 115.75 2kq2 h ILE 109 Ca 0.00 -1.21 -0.40 0.00 -0.12 0.00 0.00 64.86 63.12 2kq2 h ILE 109 Cb 0.45 1.14 -0.24 0.00 -3.03 0.00 0.00 36.82 35.13 2kq2 h ILE 109 CO 0.12 0.41 -0.78 -0.72 -0.68 0.00 0.00 178.15 176.50 2kq2 s TYR 110 N -4.70 1.07 0.01 1.37 -0.85 -1.26 -1.42 117.35 111.57 2kq2 s TYR 110 Ca -0.09 -0.36 0.01 0.00 -0.52 0.00 0.00 57.07 56.11 2kq2 s TYR 110 Cb 0.14 -0.63 -0.01 0.00 0.38 0.00 0.00 41.96 41.84 2kq2 s TYR 110 CO 0.82 0.01 -0.04 -1.54 -1.52 0.00 0.00 175.55 173.28 2kq2 s SER 111 N -1.15 0.42 -0.18 -0.18 1.04 -1.26 -5.03 113.70 107.36 2kq2 s SER 111 Ca -0.00 -0.17 -0.19 0.00 0.48 0.00 0.00 55.95 56.07 2kq2 s SER 111 Cb -0.08 -0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.08 2kq2 s SER 111 CO 0.01 -0.03 0.53 0.72 0.98 0.00 0.00 173.24 175.45 2kq2 s PHE 112 N -0.39 -0.56 -0.00 5.02 -0.71 -1.26 -3.71 117.98 116.37 2kq2 s PHE 112 Ca -0.02 1.33 -0.12 0.00 -1.04 0.00 0.00 56.93 57.08 2kq2 s PHE 112 Cb -0.03 0.21 0.01 0.00 -1.21 0.00 0.00 43.02 42.00 2kq2 s PHE 112 CO -0.00 -0.32 0.25 -2.00 -1.34 0.00 0.00 175.22 171.81 2kq2 s GLU 113 N 0.05 0.61 -0.96 1.99 2.56 -1.26 -5.03 118.70 116.66 2kq2 s GLU 113 Ca -0.02 -0.29 -0.24 0.00 0.00 0.00 0.00 54.97 54.42 2kq2 s GLU 113 Cb -0.04 0.27 0.01 0.00 2.00 0.00 0.00 34.13 36.37 2kq2 s GLU 113 CO 0.02 -0.16 1.66 -1.59 -0.56 0.00 0.00 175.26 174.62 2kq2 s LYS 114 N -1.44 3.14 0.01 4.30 0.00 -1.26 -4.90 119.74 119.60 2kq2 s LYS 114 Ca -0.13 -0.73 0.02 0.00 0.00 0.00 0.00 55.97 55.12 2kq2 s LYS 114 Cb -0.06 -5.20 -0.01 0.00 0.00 0.00 0.00 37.83 32.56 2kq2 s LYS 114 CO 0.03 -2.70 -0.06 0.54 0.00 0.00 0.00 175.35 173.16 2kq2 s VAL 115 N 7.16 0.46 0.76 1.79 0.11 -1.26 -5.15 120.40 124.27 2kq2 s VAL 115 Ca 0.56 -0.54 -0.13 0.00 -2.93 0.00 0.00 61.98 58.95 2kq2 s VAL 115 Cb -0.03 -0.45 0.06 0.00 -1.53 0.00 0.00 36.38 34.43 2kq2 s VAL 115 CO -0.05 -0.06 1.14 -1.59 -3.33 0.00 0.00 175.10 171.21 2kq2 s LYS 116 N -0.65 2.07 -0.03 1.54 -2.85 -1.26 -4.97 119.74 113.58 2kq2 s LYS 116 Ca -0.02 1.49 -0.07 0.00 -1.00 0.00 0.00 55.97 56.37 2kq2 s LYS 116 Cb -0.05 -1.85 0.01 0.00 -2.06 0.00 0.00 37.83 33.88 2kq2 s LYS 116 CO 0.00 -1.83 0.17 0.00 0.10 0.00 0.00 175.35 173.78 2kq2 s ALA 117 N -2.43 -0.40 -0.31 0.59 0.00 -1.19 -5.02 121.76 113.00 2kq2 s ALA 117 Ca 0.68 0.20 0.18 0.00 0.00 0.00 0.00 51.96 53.02 2kq2 s ALA 117 Cb -0.23 -0.09 0.46 0.00 0.00 0.00 0.00 23.12 23.26 2kq2 s ALA 117 CO 0.50 -0.15 1.15 -2.39 0.00 0.00 0.00 175.76 174.87 2kq2 n HIS 118 N 2.19 0.21 0.07 0.00 1.44 -1.26 -4.11 115.22 113.76 2kq2 n HIS 118 Ca -0.18 -2.28 0.02 0.00 -2.01 0.00 0.00 57.72 53.28 2kq2 n HIS 118 Cb 0.57 0.24 0.39 0.00 0.12 0.00 0.00 29.99 31.31 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 2.43 0.34 -4.86 4.39 0.02 -1.97 -3.47 113.55 110.43 2kq2 h SER 119 Ca -0.19 -0.05 -0.21 0.00 -0.84 0.00 0.00 61.79 60.50 2kq2 h SER 119 Cb 1.25 -0.09 0.15 0.00 0.14 0.00 0.00 62.40 63.85 2kq2 h SER 119 CO 0.20 0.40 -0.64 0.61 -1.14 0.00 0.00 176.83 176.26 2kq2 n GLY 120 N -1.05 -0.51 3.88 -3.77 0.00 -1.26 -5.05 105.19 97.42 2kq2 n GLY 120 Ca 0.01 0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.56 4.51 0.53 1.61 -0.87 -1.26 -4.99 114.94 110.91 2kq2 s ASN 121 Ca 0.23 -1.36 0.20 0.00 -1.57 0.00 0.00 52.86 50.36 2kq2 s ASN 121 Cb -0.03 0.50 1.33 0.00 -0.02 0.00 0.00 41.25 43.04 2kq2 s ASN 121 CO 0.57 -1.08 2.10 -0.33 -2.57 0.00 0.00 177.10 175.79 2kq2 h GLU 122 N 0.86 0.00 0.00 -0.60 3.07 -2.03 -0.44 114.58 115.43 2kq2 h GLU 122 Ca -0.38 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.43 2kq2 h GLU 122 Cb 1.31 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.21 2kq2 h GLU 122 CO 0.61 0.00 -0.21 0.74 -1.40 0.00 0.00 179.01 178.75 2kq2 h PHE 123 N 0.00 0.00 -0.27 4.33 0.04 -1.98 -2.57 116.94 116.49 2kq2 h PHE 123 Ca 0.08 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 2kq2 h PHE 123 Cb 0.34 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 2kq2 h PHE 123 CO 0.00 0.21 -0.00 -0.91 -0.60 0.00 0.00 178.31 177.01 2kq2 h ASN 124 N 0.00 0.37 -0.67 2.17 4.21 -1.35 0.41 115.58 120.72 2kq2 h ASN 124 Ca -0.00 -0.06 -0.06 0.00 1.21 0.00 0.00 56.30 57.39 2kq2 h ASN 124 Cb 0.48 -0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 37.56 2kq2 h ASN 124 CO 0.03 0.43 0.19 -0.78 -1.29 0.00 0.00 177.43 176.01 2kq2 h ASP 125 N 0.39 0.99 -0.01 5.81 3.58 -1.57 -0.52 116.42 125.10 2kq2 h ASP 125 Ca 0.09 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.31 2kq2 h ASP 125 Cb 0.26 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 2kq2 h ASP 125 CO 0.01 0.95 -0.01 0.22 -2.88 0.00 0.00 179.24 177.53 2kq2 h TYR 126 N 0.99 0.02 -0.14 0.28 3.20 -1.35 -3.17 116.97 116.80 2kq2 h TYR 126 Ca 0.21 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.92 2kq2 h TYR 126 Cb 0.33 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2kq2 h TYR 126 CO 0.02 0.54 -0.55 -0.24 -1.64 0.00 0.00 178.16 176.29 2kq2 h VAL 127 N -0.50 1.34 0.60 1.81 3.04 -0.95 -2.26 116.25 119.32 2kq2 h VAL 127 Ca 0.00 -1.83 -0.03 0.00 -1.01 0.00 0.00 66.70 63.83 2kq2 h VAL 127 Cb 0.54 1.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 2kq2 h VAL 127 CO 0.00 0.56 -0.31 -0.78 -1.01 0.00 0.00 177.57 176.03 2kq2 h ASP 128 N 0.33 -0.75 0.21 3.17 3.58 -1.16 0.85 116.42 122.65 2kq2 h ASP 128 Ca 0.00 0.03 -0.08 0.00 0.42 0.00 0.00 57.03 57.41 2kq2 h ASP 128 Cb 1.07 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.31 2kq2 h ASP 128 CO 0.10 -0.51 -0.30 0.00 -2.88 0.00 0.00 179.24 175.64 2kq2 h MET 129 N -0.83 0.15 -0.15 0.28 -0.00 -1.60 -1.39 114.93 111.38 2kq2 h MET 129 Ca -0.08 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.70 59.57 2kq2 h MET 129 Cb 0.65 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 32.24 2kq2 h MET 129 CO 0.11 0.44 0.07 -0.22 -0.00 0.00 0.00 176.91 177.32 2kq2 h LYS 130 N 0.13 0.22 -0.46 -0.10 3.11 -1.09 -2.42 116.57 115.96 2kq2 h LYS 130 Ca 0.02 -0.03 -0.09 0.00 -2.81 0.00 0.00 60.65 57.74 2kq2 h LYS 130 Cb 0.61 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.78 2kq2 h LYS 130 CO 0.04 0.27 -0.06 0.00 -2.81 0.00 0.00 179.45 176.89 2kq2 h ALA 131 N 0.94 1.02 -0.24 5.00 0.00 -0.45 -2.68 119.26 122.86 2kq2 h ALA 131 Ca 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2kq2 h ALA 131 Cb 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2kq2 h ALA 131 CO -0.01 0.59 0.09 0.87 0.00 0.00 0.00 179.25 180.79 2kq2 h LYS 132 N 0.74 0.32 -0.36 0.00 1.79 -1.07 -1.51 116.57 116.49 2kq2 h LYS 132 Ca 0.13 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.51 2kq2 h LYS 132 Cb 0.54 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 2kq2 h LYS 132 CO 0.03 0.28 -0.02 1.03 -1.08 0.00 0.00 179.45 179.69 2kq2 h SER 133 N 0.33 0.54 1.54 0.86 0.87 -1.08 0.19 113.55 116.80 2kq2 h SER 133 Ca 0.08 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 2kq2 h SER 133 Cb 0.08 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2kq2 h SER 133 CO -0.01 0.62 -0.13 0.00 -0.53 0.00 0.00 176.83 176.78 2kq2 h ALA 134 N 1.45 0.94 -0.01 6.23 0.00 -1.31 -2.81 119.26 123.75 2kq2 h ALA 134 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kq2 h ALA 134 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2kq2 h ALA 134 CO 0.01 0.16 -0.20 1.28 0.00 0.00 0.00 179.25 180.51 2kq2 n LEU 135 N -3.17 1.69 -0.27 0.00 4.77 -0.73 -4.80 117.00 114.50 2kq2 n LEU 135 Ca 0.02 -0.55 -0.03 0.00 -0.03 0.00 0.00 56.01 55.42 2kq2 n LEU 135 Cb 0.51 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 2kq2 n LEU 135 CO 0.34 0.30 -0.03 0.61 -1.33 0.00 0.00 177.39 177.27 2kq2 n GLY 136 N 1.32 0.47 3.73 -0.72 0.00 -0.29 -5.00 105.19 104.69 2kq2 n GLY 136 Ca 0.14 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.13 4.12 0.62 -0.61 -1.09 0.53 -5.01 121.20 117.64 2kq2 s ILE 137 Ca 0.00 1.74 -0.02 0.00 -2.23 0.00 0.00 60.65 60.14 2kq2 s ILE 137 Cb 0.00 -4.11 0.05 0.00 -1.58 0.00 0.00 42.46 36.82 2kq2 s ILE 137 CO 0.00 0.26 0.88 -0.13 -1.23 0.00 0.00 174.94 174.72 2kq2 s ARG 138 N 0.02 2.32 -0.83 2.79 3.00 -1.26 -4.59 118.95 120.39 2kq2 s ARG 138 Ca 0.50 -0.63 -0.03 0.00 0.00 0.00 0.00 55.73 55.57 2kq2 s ARG 138 Cb -0.27 -2.36 -0.01 0.00 0.00 0.00 0.00 34.95 32.31 2kq2 s ARG 138 CO 0.32 -0.98 0.72 -0.25 0.00 0.00 0.00 175.30 175.11 2kq2 n ASP 139 N -2.60 -6.86 -0.08 0.23 8.00 -1.26 -4.96 116.55 109.02 2kq2 n ASP 139 Ca 0.09 -0.41 -0.18 0.00 0.71 0.00 0.00 54.79 55.00 2kq2 n ASP 139 Cb 0.60 -4.41 -0.13 0.00 -0.02 0.00 0.00 41.12 37.16 2kq2 n ASP 139 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2kq2 n LEU 140 N -2.35 2.53 -0.77 0.64 4.77 -1.26 -4.30 117.00 116.26 2kq2 n LEU 140 Ca -0.08 -0.01 0.04 0.00 -0.03 0.00 0.00 56.01 55.94 2kq2 n LEU 140 Cb 0.56 -0.80 0.15 0.00 -2.33 0.00 0.00 43.42 41.00 2kq2 n LEU 140 CO 0.57 0.85 0.58 -1.84 -1.33 0.00 0.00 177.39 176.23 2kq2 n GLU 141 N -3.27 2.07 -2.62 3.23 0.00 -1.26 -4.78 120.64 114.01 2kq2 n GLU 141 Ca -0.40 -1.21 -0.42 0.00 0.00 0.00 0.00 57.16 55.14 2kq2 n GLU 141 Cb 1.02 -1.46 -0.02 0.00 0.00 0.00 0.00 31.44 30.98 2kq2 n GLU 141 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2kq2 s HIS 142 N -1.64 2.68 0.06 -1.84 2.46 -1.26 -4.33 115.29 111.41 2kq2 s HIS 142 Ca 0.22 -1.08 0.00 0.00 0.47 0.00 0.00 55.06 54.66 2kq2 s HIS 142 Cb 0.13 -4.64 0.00 0.00 -0.13 0.00 0.00 32.58 27.94 2kq2 s HIS 142 CO 0.11 -1.84 0.00 0.72 -2.47 0.00 0.00 174.74 171.26 2kq2 n HIS 143 N 8.40 -0.75 -1.77 3.88 8.25 -1.26 -5.11 115.22 126.85 2kq2 n HIS 143 Ca 0.35 0.11 0.14 0.00 -0.26 0.00 0.00 57.72 58.06 2kq2 n HIS 143 Cb 0.50 0.59 -0.04 0.00 1.12 0.00 0.00 29.99 32.16 2kq2 n HIS 143 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kq2 n HIS 144 N -2.69 -3.19 -3.54 4.41 8.25 -1.26 -4.89 115.22 112.31 2kq2 n HIS 144 Ca 0.00 1.32 -0.23 0.00 -0.26 0.00 0.00 57.72 58.56 2kq2 n HIS 144 Cb 0.00 -2.42 -0.15 0.00 1.12 0.00 0.00 29.99 28.55 2kq2 n HIS 144 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kq2 s HIS 145 N -1.75 -0.03 -0.02 4.41 3.76 -1.26 -5.12 115.29 115.27 2kq2 s HIS 145 Ca 0.00 -0.13 0.01 0.00 -0.15 0.00 0.00 55.06 54.79 2kq2 s HIS 145 Cb 0.00 -0.56 0.02 0.00 1.11 0.00 0.00 32.58 33.15 2kq2 s HIS 145 CO 0.00 -0.60 -0.01 -1.01 -0.85 0.00 0.00 174.74 172.28 2kq2 s HIS 146 N 2.23 0.30 0.00 1.40 3.76 -1.26 -5.36 115.29 116.36 2kq2 s HIS 146 Ca 0.05 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 2kq2 s HIS 146 Cb -0.16 -0.36 0.00 0.00 1.11 0.00 0.00 32.58 33.17 2kq2 s HIS 146 CO -0.14 -0.10 0.00 0.72 -0.85 0.00 0.00 174.74 174.37