#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1q n GLY 23 N 0.00 2.12 0.38 3.41 0.00 -1.26 -4.83 105.19 105.01 2k1q n GLY 23 Ca 0.00 -1.58 -0.02 0.00 0.00 0.00 0.00 46.02 44.42 2k1q n GLY 23 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k1q h ARG 24 N 0.00 1.32 -5.51 1.61 2.43 -2.07 -3.48 114.38 108.68 2k1q h ARG 24 Ca 0.00 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 2k1q h ARG 24 Cb 0.00 -0.30 0.00 0.00 -0.42 0.00 0.00 29.97 29.26 2k1q h ARG 24 CO 0.00 0.88 -0.84 -3.47 -1.51 0.00 0.00 179.97 175.02 2k1q n ASP 25 N -4.38 -7.55 0.02 -3.80 -0.08 -1.26 -4.88 116.55 94.62 2k1q n ASP 25 Ca 0.12 0.81 0.14 0.00 -1.51 0.00 0.00 54.79 54.34 2k1q n ASP 25 Cb 0.01 -4.48 0.57 0.00 2.34 0.00 0.00 41.12 39.56 2k1q n ASP 25 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2k1q n LYS 26 N 0.32 0.06 -3.16 -0.67 5.02 -1.26 -4.73 118.16 113.73 2k1q n LYS 26 Ca 0.03 0.05 -0.41 0.00 -2.02 0.00 0.00 58.31 55.96 2k1q n LYS 26 Cb 0.31 -1.57 -0.07 0.00 -0.02 0.00 0.00 35.03 33.68 2k1q n LYS 26 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2k1q s ASN 27 N -3.34 6.46 0.10 4.39 0.02 -1.26 -4.96 114.94 116.34 2k1q s ASN 27 Ca 0.13 0.40 -0.22 0.00 -1.02 0.00 0.00 52.86 52.15 2k1q s ASN 27 Cb 0.18 -2.31 -0.13 0.00 0.02 0.00 0.00 41.25 39.01 2k1q s ASN 27 CO 0.55 -0.43 1.75 -0.61 0.02 0.00 0.00 177.10 178.38 2k1q h GLN 28 N 8.17 0.07 -2.68 -0.60 5.75 -2.01 -3.41 115.11 120.41 2k1q h GLN 28 Ca -0.27 -0.00 -0.40 0.00 -0.15 0.00 0.00 58.65 57.82 2k1q h GLN 28 Cb 1.12 -0.02 -0.38 0.00 1.07 0.00 0.00 27.48 29.28 2k1q h GLN 28 CO 0.77 0.04 -0.69 0.14 -2.65 0.00 0.00 178.83 176.45 2k1q s VAL 29 N -6.19 -0.22 0.14 2.39 -7.23 -1.26 -5.02 120.40 103.02 2k1q s VAL 29 Ca -0.13 -0.30 -0.11 0.00 -1.81 0.00 0.00 61.98 59.63 2k1q s VAL 29 Cb 0.07 -0.74 -0.05 0.00 0.56 0.00 0.00 36.38 36.21 2k1q s VAL 29 CO 0.67 -0.36 1.47 -0.08 -0.31 0.00 0.00 175.10 176.48 2k1q h GLU 30 N 8.35 0.94 0.00 4.82 4.81 -1.86 -3.47 114.58 128.18 2k1q h GLU 30 Ca -0.17 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.56 2k1q h GLU 30 Cb 1.12 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2k1q h GLU 30 CO 0.32 1.16 0.00 0.41 -0.73 0.00 0.00 179.01 180.17 2k1q n GLY 31 N 0.17 0.81 0.31 1.92 0.00 -1.26 -4.99 105.19 102.15 2k1q n GLY 31 Ca -0.02 0.06 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 2k1q n GLY 31 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k1q h GLU 32 N 0.00 0.87 -5.29 1.61 5.08 -1.92 -3.42 114.58 111.51 2k1q h GLU 32 Ca 0.00 -0.16 -0.63 0.00 -1.00 0.00 0.00 59.36 57.58 2k1q h GLU 32 Cb 0.00 -0.14 -0.19 0.00 0.50 0.00 0.00 28.75 28.92 2k1q h GLU 32 CO 0.00 0.75 -0.61 0.08 -1.00 0.00 0.00 179.01 178.22 2k1q s VAL 33 N -5.32 4.35 0.17 3.13 1.01 -1.26 -2.66 120.40 119.82 2k1q s VAL 33 Ca -0.10 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.75 2k1q s VAL 33 Cb 0.16 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2k1q s VAL 33 CO 0.80 0.48 -0.14 -1.10 0.00 0.00 0.00 175.10 175.14 2k1q s GLN 34 N 0.35 1.21 -0.17 2.72 -0.21 -1.21 -5.04 119.66 117.30 2k1q s GLN 34 Ca -0.01 -1.48 -0.15 0.00 0.02 0.00 0.00 55.36 53.75 2k1q s GLN 34 Cb -0.13 -0.99 -0.04 0.00 1.00 0.00 0.00 33.01 32.84 2k1q s GLN 34 CO 0.01 0.17 0.34 0.08 -2.12 0.00 0.00 175.29 173.77 2k1q s VAL 35 N -2.81 5.26 0.16 1.09 1.01 -1.26 -3.01 120.40 120.85 2k1q s VAL 35 Ca 0.18 0.63 0.06 0.00 0.00 0.00 0.00 61.98 62.85 2k1q s VAL 35 Cb -0.01 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2k1q s VAL 35 CO 0.05 0.34 -0.12 0.68 0.00 0.00 0.00 175.10 176.04 2k1q s VAL 36 N 0.76 1.41 0.18 2.92 -7.23 -0.94 -4.10 120.40 113.40 2k1q s VAL 36 Ca 0.18 -2.05 -0.15 0.00 -1.81 0.00 0.00 61.98 58.14 2k1q s VAL 36 Cb -0.14 -1.86 0.02 0.00 0.56 0.00 0.00 36.38 34.96 2k1q s VAL 36 CO 0.06 -0.63 0.45 -0.55 -0.31 0.00 0.00 175.10 174.12 2k1q s SER 37 N -3.09 -0.18 0.00 4.85 0.15 -0.69 -1.94 113.70 112.81 2k1q s SER 37 Ca 0.17 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2k1q s SER 37 Cb -0.00 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 2k1q s SER 37 CO 0.03 -0.98 0.00 0.35 1.20 0.00 0.00 173.24 173.84 2k1q n THR 38 N -0.29 0.00 -0.02 6.45 -2.24 0.32 -1.78 114.28 116.72 2k1q n THR 38 Ca -0.10 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.71 2k1q n THR 38 Cb 0.63 -0.06 0.41 0.00 -2.10 0.00 0.00 70.33 69.20 2k1q n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k1q h ALA 39 N 0.96 1.69 0.00 6.98 0.00 -2.00 -3.33 119.26 123.56 2k1q h ALA 39 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k1q h ALA 39 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2k1q h ALA 39 CO 0.00 0.29 -0.03 0.25 0.00 0.00 0.00 179.25 179.76 2k1q n THR 40 N -4.47 0.00 -4.37 0.00 -2.24 -1.26 -5.08 114.28 96.86 2k1q n THR 40 Ca 0.03 -0.20 -0.27 0.00 -2.27 0.00 0.00 64.05 61.34 2k1q n THR 40 Cb 0.06 0.95 -0.11 0.00 -2.10 0.00 0.00 70.33 69.12 2k1q n THR 40 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2k1q s GLN 41 N -0.47 1.70 -0.01 -0.78 2.00 -1.25 -5.14 119.66 115.71 2k1q s GLN 41 Ca 0.00 -1.40 0.01 0.00 -2.00 0.00 0.00 55.36 51.97 2k1q s GLN 41 Cb 0.00 -1.97 0.00 0.00 0.80 0.00 0.00 33.01 31.84 2k1q s GLN 41 CO 0.00 0.42 -0.02 0.45 -0.50 0.00 0.00 175.29 175.65 2k1q s SER 42 N -2.60 0.25 0.18 6.67 0.15 -1.26 0.12 113.70 117.20 2k1q s SER 42 Ca 0.21 -0.03 -0.17 0.00 0.70 0.00 0.00 55.95 56.66 2k1q s SER 42 Cb -0.09 -0.05 0.06 0.00 -1.71 0.00 0.00 66.02 64.23 2k1q s SER 42 CO 0.11 0.00 0.82 2.22 1.20 0.00 0.00 173.24 177.59 2k1q n PHE 43 N 3.22 -1.35 -4.29 3.44 -1.74 -0.82 -4.62 117.46 111.30 2k1q n PHE 43 Ca -0.15 -1.12 -0.25 0.00 -0.56 0.00 0.00 57.45 55.38 2k1q n PHE 43 Cb 0.58 0.55 -0.08 0.00 1.52 0.00 0.00 39.48 42.04 2k1q n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2k1q s LEU 44 N 0.00 3.10 0.14 5.98 1.43 -1.21 -2.22 118.68 125.90 2k1q s LEU 44 Ca 0.18 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 2k1q s LEU 44 Cb -0.03 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 2k1q s LEU 44 CO 0.05 0.05 -0.03 0.00 0.23 0.00 0.00 176.35 176.65 2k1q s ALA 45 N -2.07 1.18 -0.02 4.21 0.00 -1.16 -3.47 121.76 120.43 2k1q s ALA 45 Ca 0.29 -1.48 0.06 0.00 0.00 0.00 0.00 51.96 50.83 2k1q s ALA 45 Cb -0.07 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 2k1q s ALA 45 CO 0.18 -0.28 -0.20 -0.08 0.00 0.00 0.00 175.76 175.38 2k1q s THR 46 N -3.64 1.58 -0.36 0.00 -1.32 -0.98 -3.35 115.64 107.56 2k1q s THR 46 Ca 0.18 -0.85 -0.15 0.00 -1.21 0.00 0.00 61.69 59.66 2k1q s THR 46 Cb 0.06 -1.31 -0.00 0.00 -1.51 0.00 0.00 72.50 69.73 2k1q s THR 46 CO -0.00 0.45 0.36 0.00 -2.21 0.00 0.00 174.62 173.21 2k1q s VAL 48 N 1.99 1.95 -1.43 0.00 1.01 0.14 -1.35 120.40 122.71 2k1q s VAL 48 Ca 0.11 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 2k1q s VAL 48 Cb -0.17 -1.66 0.04 0.00 0.00 0.00 0.00 36.38 34.59 2k1q s VAL 48 CO 0.12 0.54 1.11 -3.20 0.00 0.00 0.00 175.10 173.67 2k1q n ASN 49 N 3.14 -5.84 -1.30 3.32 2.85 -1.26 -1.59 115.26 114.57 2k1q n ASN 49 Ca -0.18 -0.62 -0.13 0.00 -0.11 0.00 0.00 54.58 53.54 2k1q n ASN 49 Cb 0.52 -4.62 -0.02 0.00 1.24 0.00 0.00 39.78 36.91 2k1q n ASN 49 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k1q n GLY 50 N -1.90 0.32 2.86 8.20 0.00 -1.26 -5.00 105.19 108.40 2k1q n GLY 50 Ca 0.02 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 2k1q n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1q s VAL 51 N -2.58 -0.01 0.36 1.61 1.01 -0.62 -3.33 120.40 116.84 2k1q s VAL 51 Ca 0.00 0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.79 2k1q s VAL 51 Cb 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 36.38 36.26 2k1q s VAL 51 CO 0.00 0.01 0.91 0.00 0.00 0.00 0.00 175.10 176.02 2k1q s TRP 53 N -1.89 1.31 0.15 0.00 0.52 0.14 -2.15 118.94 117.03 2k1q s TRP 53 Ca 0.55 -0.53 -0.22 0.00 0.02 0.00 0.00 56.10 55.92 2k1q s TRP 53 Cb -0.13 -0.70 0.08 0.00 -1.15 0.00 0.00 33.47 31.56 2k1q s TRP 53 CO 0.18 0.10 1.03 -2.37 0.02 0.00 0.00 176.95 175.91 2k1q n THR 54 N 0.80 0.00 -3.63 2.01 5.66 -0.43 -2.31 114.28 116.36 2k1q n THR 54 Ca -0.18 -0.49 -0.35 0.00 -3.05 0.00 0.00 64.05 59.98 2k1q n THR 54 Cb 0.56 0.72 -0.05 0.00 -1.55 0.00 0.00 70.33 70.01 2k1q n THR 54 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2k1q s VAL 55 N -2.07 5.16 0.20 1.08 0.11 -1.26 -2.61 120.40 121.01 2k1q s VAL 55 Ca 0.23 0.36 -0.11 0.00 -2.93 0.00 0.00 61.98 59.54 2k1q s VAL 55 Cb -0.02 -3.62 0.14 0.00 -1.53 0.00 0.00 36.38 31.35 2k1q s VAL 55 CO 0.05 0.32 1.86 0.22 -3.33 0.00 0.00 175.10 174.21 2k1q h TYR 56 N 3.82 0.94 0.00 1.54 3.20 -1.34 0.13 116.97 125.25 2k1q h TYR 56 Ca -0.49 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.38 2k1q h TYR 56 Cb 1.19 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 39.15 2k1q h TYR 56 CO 0.67 0.61 -0.01 1.12 -1.64 0.00 0.00 178.16 178.92 2k1q h HIS 57 N 0.99 0.00 0.09 -3.82 2.07 -1.95 -2.03 115.15 110.50 2k1q h HIS 57 Ca 0.26 0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 57.47 2k1q h HIS 57 Cb -0.07 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.89 2k1q h HIS 57 CO -0.02 0.01 -1.69 0.78 -3.07 0.00 0.00 177.93 173.94 2k1q h GLY 58 N 2.00 0.23 -6.75 6.13 0.00 -1.79 -3.43 103.07 99.45 2k1q h GLY 58 Ca -0.00 -0.58 -0.60 0.00 0.00 0.00 0.00 47.33 46.15 2k1q h GLY 58 CO 0.00 0.51 -0.80 0.00 0.00 0.00 0.00 176.54 176.25 2k1q s ALA 59 N -2.49 2.04 1.00 3.60 0.00 0.38 -4.91 121.76 121.38 2k1q s ALA 59 Ca -0.23 -2.67 0.00 0.00 0.00 0.00 0.00 51.96 49.05 2k1q s ALA 59 Cb 0.06 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.37 2k1q s ALA 59 CO 0.73 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.85 2k1q n GLY 60 N 3.11 -3.15 2.89 0.00 0.00 -0.77 -4.52 105.19 102.75 2k1q n GLY 60 Ca 0.18 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 2k1q n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k1q n SER 61 N -2.64 3.54 -4.20 1.61 3.41 -1.26 -4.82 113.62 109.26 2k1q n SER 61 Ca 0.00 -2.63 -0.12 0.00 -0.26 0.00 0.00 58.87 55.86 2k1q n SER 61 Cb 0.00 -1.22 -0.10 0.00 -0.26 0.00 0.00 64.21 62.63 2k1q n SER 61 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2k1q s LYS 62 N 4.22 1.19 0.33 4.33 1.02 -1.26 -5.03 119.74 124.54 2k1q s LYS 62 Ca 0.52 -1.62 -0.29 0.00 0.02 0.00 0.00 55.97 54.61 2k1q s LYS 62 Cb 0.14 0.27 -0.10 0.00 -0.52 0.00 0.00 37.83 37.61 2k1q s LYS 62 CO 0.04 -0.38 1.35 0.99 -0.92 0.00 0.00 175.35 176.43 2k1q s THR 63 N -4.15 2.58 -0.10 2.17 2.01 -1.26 -4.63 115.64 112.26 2k1q s THR 63 Ca 0.38 0.58 0.02 0.00 0.31 0.00 0.00 61.69 62.98 2k1q s THR 63 Cb 0.07 -3.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.20 2k1q s THR 63 CO 0.12 0.13 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.80 2k1q s LEU 64 N -1.73 2.59 -0.27 4.42 2.96 -1.18 -4.91 118.68 120.56 2k1q s LEU 64 Ca 0.50 -0.33 -0.19 0.00 -0.22 0.00 0.00 54.13 53.89 2k1q s LEU 64 Cb -0.41 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 2k1q s LEU 64 CO 0.54 0.23 0.59 0.00 -1.32 0.00 0.00 176.35 176.39 2k1q s ALA 65 N -0.02 3.59 0.43 5.97 0.00 -0.73 -1.71 121.76 129.29 2k1q s ALA 65 Ca -0.04 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.40 2k1q s ALA 65 Cb -0.14 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 2k1q s ALA 65 CO 0.04 -0.85 0.07 0.20 0.00 0.00 0.00 175.76 175.22 2k1q s GLY 66 N 1.54 2.68 0.41 0.00 0.00 -0.63 -1.69 107.32 109.61 2k1q s GLY 66 Ca 0.24 -1.14 0.10 0.00 0.00 0.00 0.00 44.72 43.92 2k1q s GLY 66 CO 0.09 -1.98 1.97 -0.56 0.00 0.00 0.00 173.10 172.62 2k1q h PRO 67 N 1.68 0.26 -0.05 2.90 0.13 -1.97 -1.99 132.00 132.96 2k1q h PRO 67 Ca -0.40 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 64.57 2k1q h PRO 67 Cb 1.28 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2k1q h PRO 67 CO 0.67 0.33 -0.50 0.87 -0.23 0.00 0.00 178.00 179.14 2k1q h LYS 68 N 0.26 0.13 0.00 0.86 1.79 -1.95 -3.49 116.57 114.16 2k1q h LYS 68 Ca 0.06 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2k1q h LYS 68 Cb 0.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2k1q h LYS 68 CO 0.01 0.60 0.00 0.41 -1.08 0.00 0.00 179.45 179.39 2k1q n GLY 69 N -0.03 0.68 3.78 3.86 0.00 -0.75 -5.09 105.19 107.64 2k1q n GLY 69 Ca -0.02 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 2k1q n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k1q s PRO 70 N -2.00 2.96 -0.01 1.61 0.04 -1.26 -1.60 135.00 134.73 2k1q s PRO 70 Ca 0.00 1.36 0.04 0.00 0.04 0.00 0.00 61.00 62.44 2k1q s PRO 70 Cb 0.00 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 2k1q s PRO 70 CO 0.00 -1.12 -0.13 0.42 0.04 0.00 0.00 177.00 176.21 2k1q s ILE 71 N -2.33 1.03 -0.13 0.56 1.01 -0.69 -4.89 121.20 115.75 2k1q s ILE 71 Ca 0.66 -0.55 -0.07 0.00 0.00 0.00 0.00 60.65 60.69 2k1q s ILE 71 Cb -0.20 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 2k1q s ILE 71 CO 0.40 0.29 0.13 -0.89 0.00 0.00 0.00 174.94 174.86 2k1q s THR 72 N -0.30 5.40 0.39 2.92 2.01 -1.26 -3.11 115.64 121.70 2k1q s THR 72 Ca 0.05 0.17 -0.25 0.00 0.31 0.00 0.00 61.69 61.96 2k1q s THR 72 Cb -0.05 -3.36 -0.09 0.00 0.01 0.00 0.00 72.50 69.01 2k1q s THR 72 CO -0.00 0.60 1.18 -1.10 -0.69 0.00 0.00 174.62 174.60 2k1q s GLN 73 N -0.85 4.08 -0.01 4.92 1.11 -1.26 -3.34 119.66 124.30 2k1q s GLN 73 Ca 0.14 1.86 -0.01 0.00 0.01 0.00 0.00 55.36 57.36 2k1q s GLN 73 Cb -0.12 -2.70 -0.01 0.00 -1.01 0.00 0.00 33.01 29.17 2k1q s GLN 73 CO 0.03 -0.31 -0.02 -1.33 0.01 0.00 0.00 175.29 173.68 2k1q n MET 74 N 0.12 0.02 -5.31 2.91 2.81 -0.81 -4.82 117.12 112.05 2k1q n MET 74 Ca 0.04 0.01 -0.31 0.00 -1.81 0.00 0.00 57.70 55.63 2k1q n MET 74 Cb 0.46 -0.54 -0.16 0.00 -0.71 0.00 0.00 33.22 32.27 2k1q n MET 74 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2k1q s TYR 75 N -2.02 2.33 -0.03 2.03 2.02 -1.21 -4.99 117.35 115.48 2k1q s TYR 75 Ca -0.02 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.25 2k1q s TYR 75 Cb 0.01 -1.50 0.02 0.00 -0.40 0.00 0.00 41.96 40.08 2k1q s TYR 75 CO 0.02 -0.04 -0.03 0.99 -1.57 0.00 0.00 175.55 174.92 2k1q s THR 76 N -0.61 0.38 -0.29 -0.71 2.01 -1.26 -2.29 115.64 112.87 2k1q s THR 76 Ca 0.10 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.00 2k1q s THR 76 Cb -0.10 -0.40 0.13 0.00 0.01 0.00 0.00 72.50 72.14 2k1q s THR 76 CO -0.01 0.16 0.26 0.21 -0.69 0.00 0.00 174.62 174.56 2k1q s ASN 77 N 0.61 1.99 0.20 3.53 2.47 -0.68 -4.36 114.94 118.70 2k1q s ASN 77 Ca -0.07 -0.82 -0.03 0.00 0.42 0.00 0.00 52.86 52.35 2k1q s ASN 77 Cb -0.10 0.35 0.14 0.00 -1.45 0.00 0.00 41.25 40.19 2k1q s ASN 77 CO -0.00 -0.39 1.55 0.58 -3.72 0.00 0.00 177.10 175.11 2k1q h VAL 78 N 6.29 1.30 -0.00 -5.21 2.07 -1.85 -0.37 116.25 118.49 2k1q h VAL 78 Ca -0.15 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.75 2k1q h VAL 78 Cb 1.07 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2k1q h VAL 78 CO 0.35 0.52 -0.00 0.44 0.02 0.00 0.00 177.57 178.90 2k1q h ASP 79 N 0.51 -0.00 -0.02 0.57 5.19 -1.95 -2.71 116.42 118.00 2k1q h ASP 79 Ca 0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2k1q h ASP 79 Cb 0.97 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.48 2k1q h ASP 79 CO 0.09 -0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.21 2k1q n GLN 80 N -5.09 1.70 -3.82 3.56 1.13 -1.23 -4.93 117.38 108.70 2k1q n GLN 80 Ca -0.07 -1.02 -0.28 0.00 -1.94 0.00 0.00 57.00 53.69 2k1q n GLN 80 Cb 0.03 -1.48 0.04 0.00 0.11 0.00 0.00 30.24 28.95 2k1q n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2k1q n ASP 81 N 0.24 -5.30 -4.12 1.08 2.03 -0.21 -4.91 116.55 105.35 2k1q n ASP 81 Ca 0.19 -0.71 -0.27 0.00 0.52 0.00 0.00 54.79 54.52 2k1q n ASP 81 Cb 0.37 -4.24 -0.16 0.00 -0.72 0.00 0.00 41.12 36.36 2k1q n ASP 81 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2k1q s LEU 82 N -7.30 1.87 0.06 -2.67 2.01 -0.83 -1.09 118.68 110.73 2k1q s LEU 82 Ca 0.64 -0.39 -0.07 0.00 0.01 0.00 0.00 54.13 54.32 2k1q s LEU 82 Cb -0.31 -1.04 -0.01 0.00 0.01 0.00 0.00 46.19 44.84 2k1q s LEU 82 CO 0.80 0.12 0.14 0.68 1.01 0.00 0.00 176.35 179.10 2k1q s VAL 83 N 0.30 0.14 0.29 -1.59 -7.23 -1.07 -1.69 120.40 109.55 2k1q s VAL 83 Ca -0.11 -1.16 -0.02 0.00 -1.81 0.00 0.00 61.98 58.89 2k1q s VAL 83 Cb -0.15 -1.12 -0.02 0.00 0.56 0.00 0.00 36.38 35.66 2k1q s VAL 83 CO 0.04 -0.64 0.34 -0.83 -0.31 0.00 0.00 175.10 173.71 2k1q s GLY 84 N -2.46 1.50 0.16 2.32 0.00 -0.97 -1.32 107.32 106.56 2k1q s GLY 84 Ca -0.00 -1.58 0.05 0.00 0.00 0.00 0.00 44.72 43.19 2k1q s GLY 84 CO -0.07 -1.14 -0.11 -0.98 0.00 0.00 0.00 173.10 170.79 2k1q s TRP 85 N -3.59 1.40 0.01 1.90 0.51 -0.91 -1.92 118.94 116.35 2k1q s TRP 85 Ca 0.34 -0.70 -0.30 0.00 -2.12 0.00 0.00 56.10 53.31 2k1q s TRP 85 Cb 0.02 -0.69 -0.07 0.00 -0.81 0.00 0.00 33.47 31.92 2k1q s TRP 85 CO 0.18 0.17 1.61 1.14 -0.51 0.00 0.00 176.95 179.54 2k1q s GLN 86 N -3.71 4.21 0.24 4.98 -2.07 -1.21 -1.41 119.66 120.68 2k1q s GLN 86 Ca 0.18 2.22 -0.30 0.00 -1.82 0.00 0.00 55.36 55.64 2k1q s GLN 86 Cb 0.01 -3.73 -0.09 0.00 -1.09 0.00 0.00 33.01 28.11 2k1q s GLN 86 CO 0.02 -0.74 0.96 0.00 -1.32 0.00 0.00 175.29 174.21 2k1q s ALA 87 N 3.09 3.34 0.75 2.60 0.00 -1.21 -4.80 121.76 125.53 2k1q s ALA 87 Ca 0.72 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 2k1q s ALA 87 Cb -0.36 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 19.58 2k1q s ALA 87 CO 0.30 0.16 1.09 -1.25 0.00 0.00 0.00 175.76 176.07 2k1q s PRO 88 N -1.15 2.37 0.22 0.00 0.04 -1.26 -4.93 135.00 130.28 2k1q s PRO 88 Ca 0.42 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 2k1q s PRO 88 Cb -0.27 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 2k1q s PRO 88 CO 0.33 -1.56 1.22 -1.25 0.04 0.00 0.00 177.00 175.78 2k1q s PRO 89 N -4.77 4.47 0.00 0.56 0.04 -1.26 -2.78 135.00 131.26 2k1q s PRO 89 Ca 0.62 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.61 2k1q s PRO 89 Cb -0.18 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.16 2k1q s PRO 89 CO 0.54 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.89 2k1q n GLY 90 N 1.95 3.27 3.78 0.56 0.00 -1.26 -5.04 105.19 108.44 2k1q n GLY 90 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2k1q n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k1q s ALA 91 N -2.90 3.58 0.58 4.61 0.00 -1.12 -4.75 121.76 121.76 2k1q s ALA 91 Ca 0.00 1.59 -0.11 0.00 0.00 0.00 0.00 51.96 53.44 2k1q s ALA 91 Cb 0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 2k1q s ALA 91 CO 0.00 -1.08 0.99 0.50 0.00 0.00 0.00 175.76 176.17 2k1q s ARG 92 N -2.12 3.66 0.28 0.00 6.06 -1.26 -4.92 118.95 120.66 2k1q s ARG 92 Ca 0.53 0.72 0.03 0.00 -2.50 0.00 0.00 55.73 54.51 2k1q s ARG 92 Cb -0.47 -2.13 -0.06 0.00 0.06 0.00 0.00 34.95 32.36 2k1q s ARG 92 CO 0.64 -0.47 0.05 -1.54 -2.50 0.00 0.00 175.30 171.48 2k1q s SER 93 N -3.95 1.93 -0.06 -2.12 1.04 -1.26 -4.48 113.70 104.80 2k1q s SER 93 Ca 0.55 -1.34 0.03 0.00 0.48 0.00 0.00 55.95 55.66 2k1q s SER 93 Cb -0.11 0.00 -0.03 0.00 0.10 0.00 0.00 66.02 65.99 2k1q s SER 93 CO 0.49 -0.62 -0.12 -0.76 0.98 0.00 0.00 173.24 173.21 2k1q s LEU 94 N -3.40 2.88 0.68 2.42 1.43 -0.46 -4.90 118.68 117.34 2k1q s LEU 94 Ca 0.35 -0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 53.22 2k1q s LEU 94 Cb 0.08 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.72 2k1q s LEU 94 CO 0.13 0.35 1.05 0.42 0.23 0.00 0.00 176.35 178.53 2k1q s THR 95 N -0.76 3.29 0.63 5.49 -4.23 -1.26 -4.14 115.64 114.66 2k1q s THR 95 Ca 0.12 0.25 -0.10 0.00 -1.18 0.00 0.00 61.69 60.78 2k1q s THR 95 Cb -0.11 -3.39 -0.02 0.00 1.34 0.00 0.00 72.50 70.33 2k1q s THR 95 CO 0.01 -0.47 1.01 -2.16 -0.54 0.00 0.00 174.62 172.46 2k1q s PRO 96 N -5.27 3.27 0.07 3.99 0.04 -1.26 0.19 135.00 136.02 2k1q s PRO 96 Ca 0.57 0.50 -0.31 0.00 0.04 0.00 0.00 61.00 61.81 2k1q s PRO 96 Cb -0.11 -2.12 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 2k1q s PRO 96 CO 0.49 -0.69 1.22 0.00 0.04 0.00 0.00 177.00 178.05 2k1q n THR 98 N 3.88 1.26 -0.34 0.00 5.66 -1.26 -4.81 114.28 118.68 2k1q n THR 98 Ca 0.09 -4.24 0.00 0.00 -3.05 0.00 0.00 64.05 56.85 2k1q n THR 98 Cb 0.46 -0.29 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 2k1q n THR 98 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k1q n GLY 100 N 0.00 -0.49 3.59 0.00 0.00 -1.26 -4.96 105.19 102.07 2k1q n GLY 100 Ca 0.00 0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 2k1q n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k1q s SER 101 N -3.61 6.02 0.22 1.61 0.15 -1.26 -4.97 113.70 111.86 2k1q s SER 101 Ca 0.43 -0.01 -0.08 0.00 0.70 0.00 0.00 55.95 56.99 2k1q s SER 101 Cb -0.19 -2.12 0.17 0.00 -1.71 0.00 0.00 66.02 62.17 2k1q s SER 101 CO 0.74 -0.05 1.80 0.28 1.20 0.00 0.00 173.24 177.21 2k1q h SER 102 N 8.37 1.11 -2.84 5.45 0.02 -1.92 -3.42 113.55 120.31 2k1q h SER 102 Ca -0.35 -0.15 -0.52 0.00 -0.84 0.00 0.00 61.79 59.92 2k1q h SER 102 Cb 1.19 -0.29 0.05 0.00 0.14 0.00 0.00 62.40 63.49 2k1q h SER 102 CO 0.55 0.96 0.90 -1.81 -1.14 0.00 0.00 176.83 176.29 2k1q s ASP 103 N -6.32 6.54 0.05 3.07 1.01 -1.26 -1.96 116.67 117.81 2k1q s ASP 103 Ca -0.12 2.68 0.01 0.00 0.71 0.00 0.00 52.55 55.82 2k1q s ASP 103 Cb 0.16 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 2k1q s ASP 103 CO 0.84 -0.85 -0.05 -0.76 0.21 0.00 0.00 175.17 174.56 2k1q s LEU 104 N 1.00 2.38 -0.12 1.23 1.43 -0.09 -4.14 118.68 120.37 2k1q s LEU 104 Ca 0.70 -0.78 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2k1q s LEU 104 Cb -0.45 0.02 -0.03 0.00 0.03 0.00 0.00 46.19 45.76 2k1q s LEU 104 CO 0.33 -0.40 0.01 -0.31 0.23 0.00 0.00 176.35 176.20 2k1q s TYR 105 N -2.68 3.15 -0.20 0.29 2.02 -0.30 -0.33 117.35 119.30 2k1q s TYR 105 Ca -0.01 0.06 -0.07 0.00 -0.37 0.00 0.00 57.07 56.68 2k1q s TYR 105 Cb -0.01 -1.89 -0.04 0.00 -0.40 0.00 0.00 41.96 39.63 2k1q s TYR 105 CO -0.04 0.29 0.05 -1.17 -1.57 0.00 0.00 175.55 173.11 2k1q s LEU 106 N -0.34 3.63 0.12 -1.29 2.96 -0.77 -1.90 118.68 121.10 2k1q s LEU 106 Ca 0.07 -0.03 -0.23 0.00 -0.22 0.00 0.00 54.13 53.73 2k1q s LEU 106 Cb -0.12 -1.93 -0.07 0.00 0.50 0.00 0.00 46.19 44.57 2k1q s LEU 106 CO 0.02 0.12 0.68 -0.69 -1.32 0.00 0.00 176.35 175.16 2k1q s VAL 107 N 0.71 4.53 0.31 1.68 1.01 -1.22 -3.31 120.40 124.12 2k1q s VAL 107 Ca 0.03 1.48 0.03 0.00 0.00 0.00 0.00 61.98 63.52 2k1q s VAL 107 Cb -0.13 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 2k1q s VAL 107 CO 0.02 0.54 0.07 -0.89 0.00 0.00 0.00 175.10 174.84 2k1q s THR 108 N -1.13 0.99 0.62 3.92 2.01 -1.17 -4.64 115.64 116.24 2k1q s THR 108 Ca 0.33 -2.00 0.36 0.00 0.31 0.00 0.00 61.69 60.68 2k1q s THR 108 Cb -0.21 -2.75 0.39 0.00 0.01 0.00 0.00 72.50 69.94 2k1q s THR 108 CO 0.23 0.00 2.30 0.03 -0.69 0.00 0.00 174.62 176.49 2k1q h ARG 109 N 2.19 0.00 -0.76 4.92 3.08 -1.91 -1.25 114.38 120.65 2k1q h ARG 109 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.65 2k1q h ARG 109 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2k1q h ARG 109 CO 0.67 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 180.29 2k1q n HIS 110 N -3.55 1.03 -3.89 3.04 8.25 -1.26 -4.89 115.22 113.95 2k1q n HIS 110 Ca -0.03 -0.36 -0.30 0.00 -0.26 0.00 0.00 57.72 56.77 2k1q n HIS 110 Cb 0.08 -0.29 0.03 0.00 1.12 0.00 0.00 29.99 30.92 2k1q n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k1q n ALA 111 N 0.34 -1.27 -2.62 -1.41 0.00 -0.47 -4.97 120.51 110.10 2k1q n ALA 111 Ca 0.14 0.21 -0.25 0.00 0.00 0.00 0.00 53.44 53.54 2k1q n ALA 111 Cb 0.71 -4.53 -0.08 0.00 0.00 0.00 0.00 19.45 15.55 2k1q n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k1q s ASP 112 N -3.28 4.47 -0.04 0.00 1.01 -1.26 -4.93 116.67 112.63 2k1q s ASP 112 Ca 0.66 -0.60 0.03 0.00 0.71 0.00 0.00 52.55 53.35 2k1q s ASP 112 Cb -0.33 -0.82 0.01 0.00 1.01 0.00 0.00 42.92 42.78 2k1q s ASP 112 CO 0.82 0.04 -0.12 0.68 0.21 0.00 0.00 175.17 176.80 2k1q s VAL 113 N -2.07 1.07 0.09 -1.27 -7.23 -1.26 -3.02 120.40 106.71 2k1q s VAL 113 Ca 0.29 -0.49 0.09 0.00 -1.81 0.00 0.00 61.98 60.06 2k1q s VAL 113 Cb -0.07 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.88 2k1q s VAL 113 CO 0.18 0.33 -0.24 -0.63 -0.31 0.00 0.00 175.10 174.43 2k1q s ILE 114 N 0.32 1.95 -0.03 -0.62 -1.09 -1.21 -4.84 121.20 115.68 2k1q s ILE 114 Ca -0.07 -1.51 -0.27 0.00 -2.23 0.00 0.00 60.65 56.57 2k1q s ILE 114 Cb -0.12 -1.72 -0.03 0.00 -1.58 0.00 0.00 42.46 39.01 2k1q s ILE 114 CO 0.02 0.12 0.87 -2.16 -1.23 0.00 0.00 174.94 172.56 2k1q s PRO 115 N -1.67 4.50 -0.06 2.79 0.04 -1.26 -1.84 135.00 137.51 2k1q s PRO 115 Ca 0.10 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.36 2k1q s PRO 115 Cb -0.10 -3.46 0.01 0.00 0.04 0.00 0.00 34.50 31.00 2k1q s PRO 115 CO 0.04 -0.02 -0.11 0.08 0.04 0.00 0.00 177.00 177.04 2k1q s VAL 116 N 0.98 1.00 0.49 -0.36 1.01 0.55 -3.54 120.40 120.54 2k1q s VAL 116 Ca 0.46 -0.40 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 2k1q s VAL 116 Cb -0.20 -0.93 -0.09 0.00 0.00 0.00 0.00 36.38 35.17 2k1q s VAL 116 CO 0.24 0.32 0.98 -0.13 0.00 0.00 0.00 175.10 176.51 2k1q s ARG 117 N 0.71 3.99 -0.29 2.72 1.81 -1.00 -0.91 118.95 125.97 2k1q s ARG 117 Ca -0.14 1.03 -0.12 0.00 -1.72 0.00 0.00 55.73 54.78 2k1q s ARG 117 Cb -0.15 -2.14 -0.04 0.00 -0.45 0.00 0.00 34.95 32.16 2k1q s ARG 117 CO 0.03 -0.24 0.23 0.50 -0.68 0.00 0.00 175.30 175.14 2k1q s ARG 118 N -3.80 3.87 -0.21 3.54 3.52 -0.83 -1.62 118.95 123.42 2k1q s ARG 118 Ca 0.60 -0.33 0.14 0.00 -0.13 0.00 0.00 55.73 56.01 2k1q s ARG 118 Cb -0.10 -3.69 0.46 0.00 -1.56 0.00 0.00 34.95 30.06 2k1q s ARG 118 CO 0.26 -0.25 1.36 0.54 -0.81 0.00 0.00 175.30 176.40 2k1q n ARG 119 N 5.12 2.05 -3.90 5.12 5.12 0.19 -4.92 116.66 125.45 2k1q n ARG 119 Ca -0.13 -2.95 0.00 0.00 -1.93 0.00 0.00 57.85 52.84 2k1q n ARG 119 Cb 0.51 -1.74 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 2k1q n ARG 119 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k1q n GLY 120 N -0.99 -2.13 0.33 -0.13 0.00 -1.03 -4.76 105.19 96.48 2k1q n GLY 120 Ca 0.24 -1.25 -0.07 0.00 0.00 0.00 0.00 46.02 44.94 2k1q n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k1q h ASP 121 N 0.00 1.09 0.00 1.61 3.32 -1.96 -3.29 116.42 117.18 2k1q h ASP 121 Ca 0.00 -0.23 -0.09 0.00 0.02 0.00 0.00 57.03 56.73 2k1q h ASP 121 Cb 0.00 -0.29 -0.19 0.00 0.22 0.00 0.00 39.33 39.08 2k1q h ASP 121 CO 0.00 1.04 -0.73 -1.54 -1.72 0.00 0.00 179.24 176.28 2k1q n SER 122 N -4.23 1.30 -4.10 6.45 3.41 -1.26 -4.27 113.62 110.91 2k1q n SER 122 Ca 0.05 -2.83 -0.17 0.00 -0.26 0.00 0.00 58.87 55.66 2k1q n SER 122 Cb 0.26 -0.39 -0.13 0.00 -0.26 0.00 0.00 64.21 63.69 2k1q n SER 122 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2k1q s ARG 123 N -1.46 0.75 0.26 4.33 6.06 -1.24 -1.93 118.95 125.72 2k1q s ARG 123 Ca 0.33 -0.71 -0.21 0.00 -2.50 0.00 0.00 55.73 52.64 2k1q s ARG 123 Cb 0.35 -0.69 0.03 0.00 0.06 0.00 0.00 34.95 34.70 2k1q s ARG 123 CO -0.11 0.16 0.74 0.20 -2.50 0.00 0.00 175.30 173.80 2k1q s GLY 124 N -1.20 -0.11 0.23 8.12 0.00 -0.99 0.55 107.32 113.92 2k1q s GLY 124 Ca -0.02 -0.25 0.08 0.00 0.00 0.00 0.00 44.72 44.53 2k1q s GLY 124 CO 0.01 -0.08 0.08 -1.35 0.00 0.00 0.00 173.10 171.77 2k1q s SER 125 N -2.92 5.04 -0.27 1.64 1.04 -0.64 -2.18 113.70 115.41 2k1q s SER 125 Ca 0.11 -0.40 -0.10 0.00 0.48 0.00 0.00 55.95 56.04 2k1q s SER 125 Cb -0.05 -1.14 -0.04 0.00 0.10 0.00 0.00 66.02 64.88 2k1q s SER 125 CO 0.06 0.01 0.15 -0.22 0.98 0.00 0.00 173.24 174.23 2k1q s LEU 126 N -3.53 3.84 0.19 2.42 2.96 0.36 -2.36 118.68 122.56 2k1q s LEU 126 Ca 0.31 -0.08 -0.09 0.00 -0.22 0.00 0.00 54.13 54.05 2k1q s LEU 126 Cb -0.08 -2.06 0.09 0.00 0.50 0.00 0.00 46.19 44.65 2k1q s LEU 126 CO 0.22 -0.05 1.68 -0.07 -1.32 0.00 0.00 176.35 176.81 2k1q h LEU 127 N 8.33 1.07 -8.19 -0.68 4.07 -1.85 -3.39 115.31 114.67 2k1q h LEU 127 Ca -0.36 -0.27 -0.70 0.00 0.08 0.00 0.00 57.88 56.63 2k1q h LEU 127 Cb 1.18 -0.29 -0.29 0.00 1.08 0.00 0.00 40.66 42.35 2k1q h LEU 127 CO 0.56 1.08 -0.61 -0.44 -1.08 0.00 0.00 178.44 177.95 2k1q s SER 128 N -6.52 5.30 -0.08 -0.43 0.01 -1.26 -5.06 113.70 105.66 2k1q s SER 128 Ca -0.12 -1.15 -0.30 0.00 1.31 0.00 0.00 55.95 55.70 2k1q s SER 128 Cb 0.14 -1.86 -0.05 0.00 0.21 0.00 0.00 66.02 64.46 2k1q s SER 128 CO 0.85 -0.32 1.72 -2.16 0.41 0.00 0.00 173.24 173.74 2k1q s PRO 129 N 1.40 4.06 0.28 12.44 0.04 -1.26 -4.99 135.00 146.97 2k1q s PRO 129 Ca -0.02 2.15 0.12 0.00 0.04 0.00 0.00 61.00 63.29 2k1q s PRO 129 Cb -0.20 -4.04 -0.05 0.00 0.04 0.00 0.00 34.50 30.26 2k1q s PRO 129 CO 0.03 -1.00 -0.20 1.03 0.04 0.00 0.00 177.00 176.90 2k1q s ARG 130 N 4.31 1.68 0.79 4.56 1.81 -1.24 -4.89 118.95 125.97 2k1q s ARG 130 Ca 0.76 -1.77 -0.12 0.00 -1.72 0.00 0.00 55.73 52.88 2k1q s ARG 130 Cb -0.33 -1.77 0.07 0.00 -0.45 0.00 0.00 34.95 32.47 2k1q s ARG 130 CO 0.31 0.33 1.14 -1.25 -0.68 0.00 0.00 175.30 175.15 2k1q s PRO 131 N -3.51 1.92 0.37 3.54 0.04 -1.26 -0.67 135.00 135.43 2k1q s PRO 131 Ca 0.30 1.46 0.12 0.00 0.04 0.00 0.00 61.00 62.91 2k1q s PRO 131 Cb -0.05 -1.84 0.71 0.00 0.04 0.00 0.00 34.50 33.36 2k1q s PRO 131 CO 0.15 -1.94 1.83 0.28 0.04 0.00 0.00 177.00 177.36 2k1q h VAL 132 N -1.00 1.26 -0.98 -0.36 2.07 -1.70 -2.91 116.25 112.63 2k1q h VAL 132 Ca -0.45 -1.22 0.01 0.00 0.82 0.00 0.00 66.70 65.86 2k1q h VAL 132 Cb 1.26 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 32.61 2k1q h VAL 132 CO 0.48 0.35 0.65 0.77 0.02 0.00 0.00 177.57 179.84 2k1q h SER 133 N 0.04 1.13 -0.73 0.57 4.64 -1.91 -1.49 113.55 115.80 2k1q h SER 133 Ca 0.00 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 2k1q h SER 133 Cb 0.63 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 2k1q h SER 133 CO 0.05 0.82 0.20 0.22 -0.87 0.00 0.00 176.83 177.25 2k1q h TYR 134 N 1.33 1.21 -0.03 4.77 3.20 -1.88 -2.69 116.97 122.88 2k1q h TYR 134 Ca 0.36 -0.14 -0.11 0.00 3.14 0.00 0.00 58.73 61.98 2k1q h TYR 134 Cb -0.15 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 37.76 2k1q h TYR 134 CO 0.00 0.97 -0.49 -0.07 -1.64 0.00 0.00 178.16 176.92 2k1q h LEU 135 N 1.10 0.08 -9.99 2.82 -0.00 -1.45 -3.44 115.31 104.42 2k1q h LEU 135 Ca 0.23 -0.04 -0.55 0.00 -0.00 0.00 0.00 57.88 57.53 2k1q h LEU 135 Cb 0.35 -0.02 0.12 0.00 -0.00 0.00 0.00 40.66 41.11 2k1q h LEU 135 CO -0.00 0.56 0.72 -0.54 -0.00 0.00 0.00 178.44 179.17 2k1q s LYS 136 N -3.92 3.66 0.00 1.13 -0.14 -0.61 -1.90 119.74 117.96 2k1q s LYS 136 Ca -0.03 2.45 0.00 0.00 -1.36 0.00 0.00 55.97 57.04 2k1q s LYS 136 Cb 0.13 -2.65 0.00 0.00 -1.68 0.00 0.00 37.83 33.63 2k1q s LYS 136 CO 0.76 -0.85 0.00 0.41 -0.76 0.00 0.00 175.35 174.91 2k1q n GLY 137 N 0.57 0.56 0.07 -3.33 0.00 -1.26 -4.86 105.19 96.94 2k1q n GLY 137 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.11 2k1q n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k1q n SER 138 N -0.00 0.63 -4.78 1.61 7.64 -0.80 -4.39 113.62 113.54 2k1q n SER 138 Ca 0.00 -0.82 -0.41 0.00 1.01 0.00 0.00 58.87 58.65 2k1q n SER 138 Cb 0.00 0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 2k1q n SER 138 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2k1q n SER 139 N -0.80 3.78 0.00 6.43 2.88 -1.26 -2.24 113.62 122.41 2k1q n SER 139 Ca 0.02 1.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 2k1q n SER 139 Cb 0.13 -1.62 0.00 0.00 -0.75 0.00 0.00 64.21 61.96 2k1q n SER 139 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k1q n GLY 140 N 0.45 3.27 3.76 0.46 0.00 -0.40 -3.33 105.19 109.40 2k1q n GLY 140 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2k1q n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1q s GLY 141 N -2.87 2.89 0.16 -0.02 0.00 -0.95 -3.83 107.32 102.70 2k1q s GLY 141 Ca 0.00 1.35 -0.20 0.00 0.00 0.00 0.00 44.72 45.86 2k1q s GLY 141 CO 0.00 1.90 0.67 2.56 0.00 0.00 0.00 173.10 178.23 2k1q s PRO 142 N -2.72 4.28 -0.26 2.90 0.04 -1.26 -1.49 135.00 136.50 2k1q s PRO 142 Ca 0.67 0.86 -0.10 0.00 0.04 0.00 0.00 61.00 62.47 2k1q s PRO 142 Cb -0.41 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.01 2k1q s PRO 142 CO 0.50 0.52 0.15 -0.51 0.04 0.00 0.00 177.00 177.70 2k1q s LEU 143 N -1.52 3.94 -0.11 -3.56 1.02 -0.11 -3.38 118.68 114.97 2k1q s LEU 143 Ca 0.37 -0.00 -0.00 0.00 0.02 0.00 0.00 54.13 54.51 2k1q s LEU 143 Cb -0.19 -2.07 -0.02 0.00 0.02 0.00 0.00 46.19 43.93 2k1q s LEU 143 CO 0.21 0.00 -0.10 -0.76 0.02 0.00 0.00 176.35 175.73 2k1q s LEU 144 N 1.44 2.94 0.77 1.79 1.02 -0.80 -0.44 118.68 125.41 2k1q s LEU 144 Ca 0.07 -0.19 -0.11 0.00 0.02 0.00 0.00 54.13 53.92 2k1q s LEU 144 Cb -0.15 -1.66 0.05 0.00 0.02 0.00 0.00 46.19 44.46 2k1q s LEU 144 CO 0.07 0.24 1.09 0.00 0.02 0.00 0.00 176.35 177.77 2k1q h PRO 146 N -1.11 0.00 -0.64 0.00 0.13 -1.92 0.17 132.00 128.63 2k1q h PRO 146 Ca -0.44 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 2k1q h PRO 146 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2k1q h PRO 146 CO 0.52 0.00 0.04 1.03 -0.23 0.00 0.00 178.00 179.35 2k1q h SER 147 N 0.00 1.07 0.00 1.44 0.87 -1.94 -3.47 113.55 111.52 2k1q h SER 147 Ca 0.11 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2k1q h SER 147 Cb 1.00 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2k1q h SER 147 CO -0.00 1.10 0.00 0.61 -0.53 0.00 0.00 176.83 178.00 2k1q n GLY 148 N -0.47 1.49 3.11 5.77 0.00 0.05 -5.15 105.19 109.98 2k1q n GLY 148 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 2k1q n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k1q s HIS 149 N -1.90 1.05 0.23 1.61 3.76 -1.25 -4.85 115.29 113.94 2k1q s HIS 149 Ca 0.00 -0.34 -0.30 0.00 -0.15 0.00 0.00 55.06 54.27 2k1q s HIS 149 Cb 0.00 -0.63 -0.09 0.00 1.11 0.00 0.00 32.58 32.97 2k1q s HIS 149 CO 0.00 0.01 1.19 0.00 -0.85 0.00 0.00 174.74 175.09 2k1q s ALA 150 N -0.83 3.44 -0.02 -1.40 0.00 0.13 -1.51 121.76 121.57 2k1q s ALA 150 Ca -0.00 0.98 0.05 0.00 0.00 0.00 0.00 51.96 52.99 2k1q s ALA 150 Cb -0.07 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 2k1q s ALA 150 CO 0.01 -0.35 0.08 1.55 0.00 0.00 0.00 175.76 177.05 2k1q n VAL 151 N 1.88 0.08 -2.83 0.00 3.14 0.42 0.53 118.33 121.55 2k1q n VAL 151 Ca 0.02 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 2k1q n VAL 151 Cb 0.44 0.07 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 2k1q n VAL 151 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k1q n GLY 152 N 2.35 -1.26 3.09 7.55 0.00 -1.24 -1.53 105.19 114.15 2k1q n GLY 152 Ca -0.03 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 2k1q n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k1q s ILE 153 N -2.91 1.03 0.34 -0.61 1.01 -1.04 -0.93 121.20 118.10 2k1q s ILE 153 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 60.65 59.80 2k1q s ILE 153 Cb 0.00 -0.86 -0.11 0.00 0.01 0.00 0.00 42.46 41.50 2k1q s ILE 153 CO 0.00 0.29 1.49 0.12 0.00 0.00 0.00 174.94 176.84 2k1q s PHE 154 N -0.31 2.72 0.00 3.97 5.36 -0.56 -2.34 117.98 126.83 2k1q s PHE 154 Ca 0.05 1.08 -0.01 0.00 -0.96 0.00 0.00 56.93 57.09 2k1q s PHE 154 Cb -0.05 -3.98 -0.01 0.00 -0.34 0.00 0.00 43.02 38.64 2k1q s PHE 154 CO -0.00 -3.00 -0.03 -2.13 -1.46 0.00 0.00 175.22 168.60 2k1q n ARG 155 N 1.13 0.04 -3.66 10.12 0.63 -0.45 -1.27 116.66 123.20 2k1q n ARG 155 Ca 0.03 0.02 -0.10 0.00 -0.92 0.00 0.00 57.85 56.88 2k1q n ARG 155 Cb 0.39 -0.57 -0.05 0.00 0.45 0.00 0.00 32.46 32.68 2k1q n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k1q s ALA 156 N -2.05 -0.85 0.07 5.13 0.00 -1.16 -4.83 121.76 118.07 2k1q s ALA 156 Ca -0.03 -0.12 0.07 0.00 0.00 0.00 0.00 51.96 51.88 2k1q s ALA 156 Cb 0.01 0.69 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 2k1q s ALA 156 CO 0.04 -0.64 -0.15 0.00 0.00 0.00 0.00 175.76 175.00 2k1q s ALA 157 N -3.82 2.74 -0.23 0.00 0.00 -1.26 -1.61 121.76 117.59 2k1q s ALA 157 Ca 0.04 -1.24 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 2k1q s ALA 157 Cb 0.02 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 2k1q s ALA 157 CO -0.11 0.60 -0.01 0.08 0.00 0.00 0.00 175.76 176.32 2k1q s VAL 158 N -1.06 3.68 0.03 0.00 1.01 0.02 -4.98 120.40 119.10 2k1q s VAL 158 Ca 0.17 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.83 2k1q s VAL 158 Cb -0.11 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 2k1q s VAL 158 CO 0.09 0.40 -0.19 0.00 0.00 0.00 0.00 175.10 175.39 2k1q h THR 160 N 4.46 0.58 -1.89 0.00 2.02 -1.89 -3.43 112.91 112.76 2k1q h THR 160 Ca -0.41 -1.47 -0.49 0.00 0.77 0.00 0.00 66.41 64.81 2k1q h THR 160 Cb 1.16 1.13 -0.41 0.00 -1.74 0.00 0.00 68.15 68.30 2k1q h THR 160 CO 0.45 0.20 -1.06 0.54 0.37 0.00 0.00 175.52 176.02 2k1q n ARG 161 N -4.69 1.61 0.00 6.66 5.12 -1.26 -4.88 116.66 119.23 2k1q n ARG 161 Ca -0.06 -3.74 0.00 0.00 -1.93 0.00 0.00 57.85 52.12 2k1q n ARG 161 Cb 0.22 -1.78 0.00 0.00 -1.16 0.00 0.00 32.46 29.74 2k1q n ARG 161 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k1q n GLY 162 N 0.08 1.44 3.35 -0.13 0.00 -1.26 -5.02 105.19 103.65 2k1q n GLY 162 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 2k1q n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1q s VAL 163 N -2.48 3.55 -0.03 1.61 1.01 -1.26 -1.72 120.40 121.08 2k1q s VAL 163 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 2k1q s VAL 163 Cb 0.00 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 2k1q s VAL 163 CO 0.00 0.42 1.04 0.00 0.00 0.00 0.00 175.10 176.56 2k1q s ALA 164 N 1.35 3.29 -0.06 5.51 0.00 0.15 -2.54 121.76 129.47 2k1q s ALA 164 Ca 0.04 0.54 0.08 0.00 0.00 0.00 0.00 51.96 52.63 2k1q s ALA 164 Cb -0.14 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.46 2k1q s ALA 164 CO -0.01 -0.41 0.10 0.36 0.00 0.00 0.00 175.76 175.80 2k1q n LYS 165 N 4.33 1.66 -4.04 0.00 2.85 -0.56 -3.60 118.16 118.80 2k1q n LYS 165 Ca 0.08 -0.04 -0.08 0.00 -1.05 0.00 0.00 58.31 57.22 2k1q n LYS 165 Cb 0.49 -1.22 -0.10 0.00 -0.65 0.00 0.00 35.03 33.56 2k1q n LYS 165 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k1q s ALA 166 N -2.38 0.34 0.12 0.58 0.00 -1.20 0.14 121.76 119.35 2k1q s ALA 166 Ca -0.04 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 50.91 2k1q s ALA 166 Cb 0.04 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 2k1q s ALA 166 CO 0.37 -0.38 -0.08 0.14 0.00 0.00 0.00 175.76 175.81 2k1q s VAL 167 N -3.70 0.92 -0.06 0.00 -7.23 -0.93 -0.80 120.40 108.60 2k1q s VAL 167 Ca 0.05 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.27 2k1q s VAL 167 Cb 0.06 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.23 2k1q s VAL 167 CO -0.09 -0.81 -0.22 -0.62 -0.31 0.00 0.00 175.10 173.04 2k1q s ASP 168 N -3.10 2.81 0.04 4.85 -1.08 -0.63 -2.34 116.67 117.21 2k1q s ASP 168 Ca 0.14 -0.48 0.01 0.00 -0.52 0.00 0.00 52.55 51.70 2k1q s ASP 168 Cb 0.04 -0.91 -0.02 0.00 -1.46 0.00 0.00 42.92 40.56 2k1q s ASP 168 CO -0.02 0.20 -0.05 0.72 0.52 0.00 0.00 175.17 176.53 2k1q s PHE 169 N 0.03 0.48 -0.19 -5.34 -0.12 -0.81 -1.34 117.98 110.69 2k1q s PHE 169 Ca -0.08 -0.59 -0.22 0.00 -0.05 0.00 0.00 56.93 56.00 2k1q s PHE 169 Cb -0.14 -0.31 -0.02 0.00 -0.63 0.00 0.00 43.02 41.92 2k1q s PHE 169 CO 0.05 -0.16 0.68 0.08 -0.05 0.00 0.00 175.22 175.81 2k1q s VAL 170 N -1.76 4.99 0.69 -2.49 1.01 -0.99 -4.17 120.40 117.68 2k1q s VAL 170 Ca -0.10 1.29 -0.15 0.00 0.00 0.00 0.00 61.98 63.02 2k1q s VAL 170 Cb -0.08 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.33 2k1q s VAL 170 CO -0.01 0.09 1.14 -2.16 0.00 0.00 0.00 175.10 174.15 2k1q s PRO 171 N 1.98 2.53 0.64 2.72 0.04 -1.26 -2.48 135.00 139.17 2k1q s PRO 171 Ca 0.31 1.49 0.37 0.00 0.04 0.00 0.00 61.00 63.21 2k1q s PRO 171 Cb -0.16 -1.91 2.07 0.00 0.04 0.00 0.00 34.50 34.55 2k1q s PRO 171 CO 0.11 -1.48 2.23 0.28 0.04 0.00 0.00 177.00 178.18 2k1q h VAL 172 N -0.18 0.16 -1.01 -0.36 2.07 -1.64 -2.33 116.25 112.97 2k1q h VAL 172 Ca -0.47 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.11 2k1q h VAL 172 Cb 1.26 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 31.88 2k1q h VAL 172 CO 0.52 0.00 0.65 -0.08 0.02 0.00 0.00 177.57 178.69 2k1q h GLU 173 N 0.00 1.17 -0.08 1.57 4.81 -1.89 -1.11 114.58 119.05 2k1q h GLU 173 Ca 0.01 -0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 58.99 2k1q h GLU 173 Cb 0.20 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 2k1q h GLU 173 CO -0.00 0.78 -0.75 0.77 -0.73 0.00 0.00 179.01 179.08 2k1q h SER 174 N 1.21 0.51 -0.77 1.04 0.02 -1.78 -2.74 113.55 111.03 2k1q h SER 174 Ca 0.43 -0.34 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2k1q h SER 174 Cb 0.12 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 2k1q h SER 174 CO -0.16 1.09 0.31 0.24 -1.14 0.00 0.00 176.83 177.17 2k1q h MET 175 N 0.29 1.15 -0.40 3.45 2.86 -1.40 -1.31 114.93 119.56 2k1q h MET 175 Ca -0.04 -0.20 -0.16 0.00 -2.06 0.00 0.00 59.70 57.24 2k1q h MET 175 Cb 1.33 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 2k1q h MET 175 CO 0.13 0.93 -0.36 0.93 1.06 0.00 0.00 176.91 179.60 2k1q h GLU 176 N 1.11 0.95 -0.66 1.72 4.39 -1.22 -2.74 114.58 118.14 2k1q h GLU 176 Ca 0.26 -0.49 -0.09 0.00 0.34 0.00 0.00 59.36 59.39 2k1q h GLU 176 Cb 0.21 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 2k1q h GLU 176 CO -0.02 1.15 0.08 1.15 -1.16 0.00 0.00 179.01 180.20 2k1q h THR 177 N 0.78 1.27 -0.12 1.13 2.02 -1.24 -2.10 112.91 114.64 2k1q h THR 177 Ca 0.07 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 2k1q h THR 177 Cb 0.96 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 2k1q h THR 177 CO 0.09 0.40 0.07 0.74 0.37 0.00 0.00 175.52 177.19 2k1q h THR 178 N 1.03 1.10 -0.15 3.16 2.02 -1.18 -0.68 112.91 118.20 2k1q h THR 178 Ca 0.20 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2k1q h THR 178 Cb 0.48 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2k1q h THR 178 CO 0.02 0.09 0.10 -0.03 0.37 0.00 0.00 175.52 176.07 2k1q h MET 179 N 0.10 0.20 -0.99 6.66 -1.53 -1.39 -0.63 114.93 117.36 2k1q h MET 179 Ca 0.04 -0.01 0.01 0.00 -3.44 0.00 0.00 59.70 56.30 2k1q h MET 179 Cb 0.08 -0.05 -0.05 0.00 -0.55 0.00 0.00 31.60 31.03 2k1q h MET 179 CO -0.01 0.14 0.65 -0.09 0.14 0.00 0.00 176.91 177.74 2k1q h ARG 180 N 0.21 1.31 -0.57 0.39 2.43 -1.25 -2.42 114.38 114.47 2k1q h ARG 180 Ca 0.06 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 2k1q h ARG 180 Cb -0.02 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 29.22 2k1q h ARG 180 CO -0.01 0.87 -0.07 0.00 -1.51 0.00 0.00 179.97 179.25 2k1q h ALA 181 N 1.37 0.79 -6.37 2.80 0.00 -0.73 -3.47 119.26 113.65 2k1q h ALA 181 Ca 0.36 -0.34 -0.49 0.00 0.00 0.00 0.00 54.91 54.45 2k1q h ALA 181 Cb -0.15 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.37 2k1q h ALA 181 CO -0.08 0.68 -0.77 0.43 0.00 0.00 0.00 179.25 179.51 2k1q n SER 182 N -4.15 -4.64 -4.81 0.00 7.64 -0.28 -4.95 113.62 102.43 2k1q n SER 182 Ca 0.02 -0.81 -0.36 0.00 1.01 0.00 0.00 58.87 58.73 2k1q n SER 182 Cb 0.39 -3.72 -0.07 0.00 -1.01 0.00 0.00 64.21 59.79 2k1q n SER 182 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k1q s LYS 183 N -6.68 3.27 -0.11 1.43 1.02 -1.26 -5.08 119.74 112.33 2k1q s LYS 183 Ca 0.68 -0.23 -0.05 0.00 0.02 0.00 0.00 55.97 56.39 2k1q s LYS 183 Cb -0.35 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 2k1q s LYS 183 CO 0.85 0.75 0.08 0.15 -0.92 0.00 0.00 175.35 176.26 2k1q s LYS 184 N -0.98 3.25 1.11 1.68 1.02 -1.26 -4.54 119.74 120.02 2k1q s LYS 184 Ca 0.14 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.89 2k1q s LYS 184 Cb -0.12 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 2k1q s LYS 184 CO 0.03 0.75 0.00 1.63 -0.92 0.00 0.00 175.35 176.84 2k1q n LYS 185 N 2.04 0.00 0.00 1.68 5.02 -1.26 -5.11 118.16 120.53 2k1q n LYS 185 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 2k1q n LYS 185 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 2k1q n LYS 185 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05