#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 0.00 0.38 3.41 0.00 -1.26 -5.00 105.19 102.72 2k1q n GLY 23 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2k1q n GLY 23 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2k1q h ARG 24 N 0.00 1.33 -0.46 1.61 3.08 -2.08 -2.49 114.38 115.36 2k1q h ARG 24 Ca 0.00 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 59.81 2k1q h ARG 24 Cb 0.00 -0.30 -0.09 0.00 0.08 0.00 0.00 29.97 29.66 2k1q h ARG 24 CO 0.00 0.88 0.09 -0.40 -1.07 0.00 0.00 179.97 179.47 2k1q n ASP 25 N -4.38 3.63 -1.83 7.04 5.75 -1.26 -4.56 116.55 120.95 2k1q n ASP 25 Ca 0.12 -3.37 -0.07 0.00 -0.01 0.00 0.00 54.79 51.46 2k1q n ASP 25 Cb 0.01 -0.65 0.24 0.00 -1.03 0.00 0.00 41.12 39.70 2k1q n ASP 25 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2k1q n LYS 26 N -0.68 3.10 -0.66 0.11 4.81 -0.94 -4.24 118.16 119.66 2k1q n LYS 26 Ca 0.33 -2.52 0.06 0.00 -0.87 0.00 0.00 58.31 55.31 2k1q n LYS 26 Cb 1.12 -2.05 0.31 0.00 0.02 0.00 0.00 35.03 34.43 2k1q n LYS 26 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2k1q n ASN 27 N -0.18 4.46 -4.87 3.14 6.94 -1.26 -5.00 115.26 118.48 2k1q n ASN 27 Ca 0.36 -3.06 -0.31 0.00 -0.02 0.00 0.00 54.58 51.55 2k1q n ASN 27 Cb 1.25 -0.61 0.02 0.00 -2.36 0.00 0.00 39.78 38.08 2k1q n ASN 27 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2k1q s GLN 28 N -2.86 3.37 -0.21 -3.83 -0.21 -1.26 -5.05 119.66 109.62 2k1q s GLN 28 Ca 0.47 0.66 -0.09 0.00 0.02 0.00 0.00 55.36 56.42 2k1q s GLN 28 Cb 0.38 -2.06 -0.04 0.00 1.00 0.00 0.00 33.01 32.28 2k1q s GLN 28 CO 0.11 -0.71 0.11 0.08 -2.12 0.00 0.00 175.29 172.76 2k1q s VAL 29 N -3.23 5.05 0.35 1.09 1.01 -1.26 -5.07 120.40 118.32 2k1q s VAL 29 Ca 0.56 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 62.33 2k1q s VAL 29 Cb -0.11 -3.32 -0.09 0.00 0.00 0.00 0.00 36.38 32.86 2k1q s VAL 29 CO 0.53 0.41 1.19 -1.61 0.00 0.00 0.00 175.10 175.62 2k1q s GLU 30 N 0.73 4.31 -0.30 2.72 2.02 -1.26 -4.94 118.70 121.98 2k1q s GLU 30 Ca 0.06 1.95 -0.18 0.00 0.02 0.00 0.00 54.97 56.81 2k1q s GLU 30 Cb -0.13 -2.94 0.19 0.00 0.10 0.00 0.00 34.13 31.35 2k1q s GLU 30 CO 0.02 -0.13 1.21 0.20 0.02 0.00 0.00 175.26 176.57 2k1q s GLY 31 N -0.86 0.16 0.42 -1.39 0.00 -1.26 -4.92 107.32 99.45 2k1q s GLY 31 Ca 0.51 3.50 0.20 0.00 0.00 0.00 0.00 44.72 48.92 2k1q s GLY 31 CO 0.44 3.34 1.86 1.05 0.00 0.00 0.00 173.10 179.79 2k1q h GLU 32 N 7.17 0.00 -5.22 2.90 4.11 -1.93 -3.39 114.58 118.22 2k1q h GLU 32 Ca -0.14 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.65 2k1q h GLU 32 Cb 1.12 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.14 2k1q h GLU 32 CO 0.07 0.30 -0.69 0.08 0.07 0.00 0.00 179.01 178.84 2k1q s VAL 33 N -3.94 3.72 0.12 -1.06 1.01 -1.26 -3.25 120.40 115.74 2k1q s VAL 33 Ca -0.02 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.60 2k1q s VAL 33 Cb 0.13 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 2k1q s VAL 33 CO 0.67 0.47 -0.11 -1.10 0.00 0.00 0.00 175.10 175.03 2k1q s GLN 34 N 0.67 0.96 -0.28 2.72 -0.21 -1.21 -5.06 119.66 117.25 2k1q s GLN 34 Ca -0.02 -1.28 -0.20 0.00 0.02 0.00 0.00 55.36 53.87 2k1q s GLN 34 Cb -0.14 -0.65 -0.01 0.00 1.00 0.00 0.00 33.01 33.20 2k1q s GLN 34 CO 0.02 0.10 0.63 0.14 -2.12 0.00 0.00 175.29 174.06 2k1q s VAL 35 N -2.69 4.96 -0.03 1.09 -7.23 -1.26 -2.87 120.40 112.37 2k1q s VAL 35 Ca 0.10 0.98 0.05 0.00 -1.81 0.00 0.00 61.98 61.29 2k1q s VAL 35 Cb -0.01 -3.97 -0.03 0.00 0.56 0.00 0.00 36.38 32.93 2k1q s VAL 35 CO 0.01 -0.06 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.89 2k1q s VAL 36 N 2.56 2.95 0.32 1.32 1.01 -0.91 -3.96 120.40 123.69 2k1q s VAL 36 Ca 0.25 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2k1q s VAL 36 Cb -0.15 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 2k1q s VAL 36 CO 0.10 0.54 0.41 -1.20 0.00 0.00 0.00 175.10 174.95 2k1q n SER 37 N 2.16 -1.12 -0.86 3.32 7.64 -0.50 -1.83 113.62 122.43 2k1q n SER 37 Ca -0.17 -2.82 0.00 0.00 1.01 0.00 0.00 58.87 56.89 2k1q n SER 37 Cb 0.52 2.17 0.00 0.00 -1.01 0.00 0.00 64.21 65.89 2k1q n SER 37 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k1q n THR 38 N -0.55 0.00 -0.15 0.44 -2.24 0.13 -1.67 114.28 110.25 2k1q n THR 38 Ca 0.02 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.90 2k1q n THR 38 Cb 0.55 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.21 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 1.07 1.88 0.00 6.98 0.00 -1.98 -3.34 119.26 123.87 2k1q h ALA 39 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k1q h ALA 39 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2k1q h ALA 39 CO 0.00 -0.02 0.00 -2.37 0.00 0.00 0.00 179.25 176.86 2k1q n THR 40 N -4.48 0.00 -4.72 0.00 5.66 -1.26 -5.09 114.28 104.39 2k1q n THR 40 Ca 0.11 -0.07 -0.31 0.00 -3.05 0.00 0.00 64.05 60.73 2k1q n THR 40 Cb 0.33 1.17 -0.13 0.00 -1.55 0.00 0.00 70.33 70.16 2k1q n THR 40 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2k1q s GLN 41 N -0.11 2.21 -0.02 1.09 2.00 -1.25 -5.13 119.66 118.46 2k1q s GLN 41 Ca 0.00 -0.89 0.04 0.00 -2.00 0.00 0.00 55.36 52.51 2k1q s GLN 41 Cb 0.00 -2.25 -0.01 0.00 0.80 0.00 0.00 33.01 31.55 2k1q s GLN 41 CO 0.00 0.56 -0.14 -1.12 -0.50 0.00 0.00 175.29 174.10 2k1q s SER 42 N -1.25 1.64 0.18 6.67 0.01 -1.26 0.21 113.70 119.90 2k1q s SER 42 Ca 0.14 -0.26 -0.15 0.00 1.31 0.00 0.00 55.95 56.99 2k1q s SER 42 Cb -0.11 -0.26 0.05 0.00 0.21 0.00 0.00 66.02 65.92 2k1q s SER 42 CO 0.04 0.15 0.74 2.22 0.41 0.00 0.00 173.24 176.81 2k1q n PHE 43 N 2.88 -1.38 -4.43 2.43 -1.74 -0.76 -4.69 117.46 109.77 2k1q n PHE 43 Ca -0.15 -1.08 -0.31 0.00 -0.56 0.00 0.00 57.45 55.35 2k1q n PHE 43 Cb 0.55 0.53 -0.11 0.00 1.52 0.00 0.00 39.48 41.97 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 2.98 0.20 5.98 1.43 -1.19 -2.14 118.68 125.93 2k1q s LEU 44 Ca 0.16 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.02 2k1q s LEU 44 Cb -0.03 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 2k1q s LEU 44 CO 0.05 0.24 -0.10 0.00 0.23 0.00 0.00 176.35 176.77 2k1q s ALA 45 N -1.05 1.84 -0.01 4.21 0.00 -1.14 -1.87 121.76 123.74 2k1q s ALA 45 Ca 0.18 -1.64 0.08 0.00 0.00 0.00 0.00 51.96 50.57 2k1q s ALA 45 Cb -0.11 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2k1q s ALA 45 CO 0.09 -0.04 -0.24 -0.08 0.00 0.00 0.00 175.76 175.49 2k1q s THR 46 N -3.15 1.93 -0.42 0.00 -1.32 -0.94 -3.35 115.64 108.39 2k1q s THR 46 Ca 0.22 -1.07 -0.17 0.00 -1.21 0.00 0.00 61.69 59.46 2k1q s THR 46 Cb 0.02 -1.61 0.02 0.00 -1.51 0.00 0.00 72.50 69.42 2k1q s THR 46 CO 0.06 0.52 0.41 0.00 -2.21 0.00 0.00 174.62 173.39 2k1q s VAL 48 N 2.04 3.87 -1.47 0.00 1.01 0.14 -1.75 120.40 124.23 2k1q s VAL 48 Ca 0.11 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.60 2k1q s VAL 48 Cb -0.17 -2.69 0.06 0.00 0.00 0.00 0.00 36.38 33.57 2k1q s VAL 48 CO 0.13 0.50 1.06 -3.20 0.00 0.00 0.00 175.10 173.59 2k1q n ASN 49 N 3.52 -5.42 -0.88 3.32 2.85 -1.26 -1.03 115.26 116.35 2k1q n ASN 49 Ca -0.17 -0.69 -0.10 0.00 -0.11 0.00 0.00 54.58 53.50 2k1q n ASN 49 Cb 0.52 -4.30 -0.04 0.00 1.24 0.00 0.00 39.78 37.21 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 -1.81 0.92 2.95 8.20 0.00 -1.26 -5.01 105.19 109.18 2k1q n GLY 50 Ca 0.03 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.42 0.81 0.43 1.61 1.01 -0.20 -3.05 120.40 118.59 2k1q s VAL 51 Ca 0.00 -0.29 -0.24 0.00 0.00 0.00 0.00 61.98 61.46 2k1q s VAL 51 Cb 0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 36.38 35.52 2k1q s VAL 51 CO 0.00 0.28 1.12 0.00 0.00 0.00 0.00 175.10 176.50 2k1q s TRP 53 N -1.58 0.01 0.30 0.00 0.52 0.11 -3.32 118.94 114.98 2k1q s TRP 53 Ca 0.60 0.04 -0.19 0.00 0.02 0.00 0.00 56.10 56.57 2k1q s TRP 53 Cb -0.26 -0.07 0.04 0.00 -1.15 0.00 0.00 33.47 32.03 2k1q s TRP 53 CO 0.32 -0.03 0.79 -0.08 0.02 0.00 0.00 176.95 177.97 2k1q s THR 54 N 0.30 0.00 0.45 2.01 -1.32 -1.20 -2.21 115.64 113.67 2k1q s THR 54 Ca -0.03 -0.95 -0.20 0.00 -1.21 0.00 0.00 61.69 59.30 2k1q s THR 54 Cb -0.04 -2.39 -0.10 0.00 -1.51 0.00 0.00 72.50 68.46 2k1q s THR 54 CO -0.01 0.00 0.98 0.54 -2.21 0.00 0.00 174.62 173.92 2k1q s VAL 55 N -3.14 4.24 0.10 5.08 0.11 -1.26 -2.97 120.40 122.56 2k1q s VAL 55 Ca 0.13 1.37 -0.22 0.00 -2.93 0.00 0.00 61.98 60.34 2k1q s VAL 55 Cb -0.05 -3.57 -0.12 0.00 -1.53 0.00 0.00 36.38 31.12 2k1q s VAL 55 CO 0.08 -0.33 1.75 0.22 -3.33 0.00 0.00 175.10 173.50 2k1q h TYR 56 N 1.73 0.10 -0.09 1.54 5.03 -1.41 -2.38 116.97 121.49 2k1q h TYR 56 Ca -0.49 0.00 0.03 0.00 2.58 0.00 0.00 58.73 60.85 2k1q h TYR 56 Cb 1.19 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 39.43 2k1q h TYR 56 CO 0.61 0.07 0.12 1.12 -1.32 0.00 0.00 178.16 178.76 2k1q h HIS 57 N 0.11 0.00 -0.01 -3.82 2.07 -1.94 -1.22 115.15 110.33 2k1q h HIS 57 Ca 0.03 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.45 2k1q h HIS 57 Cb -0.01 0.00 0.01 0.00 2.57 0.00 0.00 27.41 29.98 2k1q h HIS 57 CO -0.07 0.00 -0.37 0.78 -3.07 0.00 0.00 177.93 175.20 2k1q h GLY 58 N 0.00 0.30 -6.83 6.13 0.00 -1.83 -3.41 103.07 97.43 2k1q h GLY 58 Ca 0.04 -0.50 -0.57 0.00 0.00 0.00 0.00 47.33 46.30 2k1q h GLY 58 CO -0.00 0.45 -0.79 0.00 0.00 0.00 0.00 176.54 176.19 2k1q s ALA 59 N -3.22 1.20 1.00 3.60 0.00 -0.53 -4.86 121.76 118.95 2k1q s ALA 59 Ca -0.15 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.05 2k1q s ALA 59 Cb 0.02 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.53 2k1q s ALA 59 CO 0.77 -1.90 0.00 0.41 0.00 0.00 0.00 175.76 175.04 2k1q n GLY 60 N 4.42 -2.62 3.04 0.00 0.00 -0.78 -4.63 105.19 104.61 2k1q n GLY 60 Ca 0.04 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.99 2.75 -3.35 1.61 3.41 -1.26 -4.81 113.62 109.99 2k1q n SER 61 Ca 0.00 -2.68 -0.18 0.00 -0.26 0.00 0.00 58.87 55.75 2k1q n SER 61 Cb 0.00 -1.17 -0.07 0.00 -0.26 0.00 0.00 64.21 62.71 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 4.75 1.78 0.52 4.33 1.02 -1.26 -5.14 119.74 125.75 2k1q s LYS 62 Ca 0.56 -1.93 -0.21 0.00 0.02 0.00 0.00 55.97 54.40 2k1q s LYS 62 Cb 0.14 0.36 -0.06 0.00 -0.52 0.00 0.00 37.83 37.76 2k1q s LYS 62 CO 0.09 -0.68 1.24 0.95 -0.92 0.00 0.00 175.35 176.03 2k1q s THR 63 N -3.35 2.64 -0.11 2.17 -4.23 -1.26 -4.73 115.64 106.76 2k1q s THR 63 Ca 0.38 0.46 0.00 0.00 -1.18 0.00 0.00 61.69 61.35 2k1q s THR 63 Cb 0.02 -3.22 -0.02 0.00 1.34 0.00 0.00 72.50 70.62 2k1q s THR 63 CO 0.25 -0.03 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.97 2k1q s LEU 64 N -3.47 2.83 -0.41 4.79 2.96 -1.14 -4.87 118.68 119.37 2k1q s LEU 64 Ca 0.70 -0.24 -0.15 0.00 -0.22 0.00 0.00 54.13 54.22 2k1q s LEU 64 Cb -0.33 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 44.76 2k1q s LEU 64 CO 0.38 0.23 0.31 0.00 -1.32 0.00 0.00 176.35 175.95 2k1q s ALA 65 N -0.03 3.48 0.10 5.97 0.00 -0.67 -0.69 121.76 129.92 2k1q s ALA 65 Ca -0.02 -1.75 0.01 0.00 0.00 0.00 0.00 51.96 50.19 2k1q s ALA 65 Cb -0.14 -2.90 0.01 0.00 0.00 0.00 0.00 23.12 20.08 2k1q s ALA 65 CO 0.04 -1.48 0.05 0.41 0.00 0.00 0.00 175.76 174.77 2k1q n GLY 66 N 5.16 3.41 0.24 0.00 0.00 0.31 -1.40 105.19 112.91 2k1q n GLY 66 Ca -0.11 -2.21 0.01 0.00 0.00 0.00 0.00 46.02 43.71 2k1q n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k1q h PRO 67 N 0.00 0.29 0.00 1.61 0.13 -1.98 -2.58 132.00 129.47 2k1q h PRO 67 Ca -0.07 -0.08 -0.18 0.00 -0.87 0.00 0.00 66.00 64.80 2k1q h PRO 67 Cb 0.23 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.31 2k1q h PRO 67 CO 0.11 0.46 -0.84 -0.22 -0.23 0.00 0.00 178.00 177.27 2k1q h LYS 68 N 0.27 0.09 0.00 0.86 1.63 -1.95 -3.50 116.57 113.98 2k1q h LYS 68 Ca 0.05 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2k1q h LYS 68 Cb 0.46 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 2k1q h LYS 68 CO 0.03 0.88 0.00 0.41 -3.45 0.00 0.00 179.45 177.32 2k1q n GLY 69 N 0.84 0.58 3.77 5.01 0.00 -0.97 -5.08 105.19 109.33 2k1q n GLY 69 Ca -0.02 -1.44 -0.38 0.00 0.00 0.00 0.00 46.02 44.19 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 4.27 -0.01 1.61 0.04 -1.26 -0.53 135.00 137.12 2k1q s PRO 70 Ca 0.00 1.60 0.04 0.00 0.04 0.00 0.00 61.00 62.68 2k1q s PRO 70 Cb 0.00 -2.71 -0.01 0.00 0.04 0.00 0.00 34.50 31.82 2k1q s PRO 70 CO 0.00 -0.07 -0.13 0.42 0.04 0.00 0.00 177.00 177.26 2k1q s ILE 71 N -1.52 1.02 0.06 0.56 1.01 0.13 -4.92 121.20 117.55 2k1q s ILE 71 Ca 0.55 -0.56 -0.23 0.00 0.00 0.00 0.00 60.65 60.40 2k1q s ILE 71 Cb -0.25 -0.85 -0.06 0.00 0.01 0.00 0.00 42.46 41.31 2k1q s ILE 71 CO 0.31 0.29 0.71 -0.89 0.00 0.00 0.00 174.94 175.36 2k1q s THR 72 N -0.31 4.70 0.36 2.92 2.01 -1.26 -2.90 115.64 121.16 2k1q s THR 72 Ca 0.05 1.51 -0.18 0.00 0.31 0.00 0.00 61.69 63.38 2k1q s THR 72 Cb -0.05 -4.05 -0.10 0.00 0.01 0.00 0.00 72.50 68.31 2k1q s THR 72 CO -0.00 0.43 0.82 0.00 -0.69 0.00 0.00 174.62 175.18 2k1q s GLN 73 N -0.41 4.12 -0.00 4.92 -2.07 -1.26 -2.85 119.66 122.10 2k1q s GLN 73 Ca 0.35 0.88 0.01 0.00 -1.82 0.00 0.00 55.36 54.78 2k1q s GLN 73 Cb -0.20 -2.37 -0.01 0.00 -1.09 0.00 0.00 33.01 29.33 2k1q s GLN 73 CO 0.22 0.10 0.02 -1.33 -1.32 0.00 0.00 175.29 172.98 2k1q n MET 74 N -0.38 0.75 -4.32 9.60 2.81 -0.38 -4.88 117.12 120.32 2k1q n MET 74 Ca 0.04 -0.01 -0.21 0.00 -1.81 0.00 0.00 57.70 55.71 2k1q n MET 74 Cb 0.53 -0.97 -0.13 0.00 -0.71 0.00 0.00 33.22 31.95 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 -1.95 1.46 -0.09 2.03 2.02 -1.14 -5.00 117.35 114.69 2k1q s TYR 75 Ca -0.00 -0.40 -0.04 0.00 -0.37 0.00 0.00 57.07 56.26 2k1q s TYR 75 Cb 0.01 -0.83 0.05 0.00 -0.40 0.00 0.00 41.96 40.78 2k1q s TYR 75 CO 0.03 0.09 0.18 0.95 -1.57 0.00 0.00 175.55 175.24 2k1q s THR 76 N -1.05 -0.15 -0.35 -0.71 -4.23 -1.26 -3.34 115.64 104.55 2k1q s THR 76 Ca 0.03 0.24 0.01 0.00 -1.18 0.00 0.00 61.69 60.78 2k1q s THR 76 Cb -0.09 -0.31 0.14 0.00 1.34 0.00 0.00 72.50 73.58 2k1q s THR 76 CO 0.02 0.10 0.26 0.20 -0.54 0.00 0.00 174.62 174.66 2k1q s ASN 77 N 1.66 2.44 0.03 3.99 0.02 0.02 -5.00 114.94 118.10 2k1q s ASN 77 Ca -0.05 -1.94 -0.21 0.00 -1.02 0.00 0.00 52.86 49.65 2k1q s ASN 77 Cb -0.12 -0.09 -0.15 0.00 0.02 0.00 0.00 41.25 40.91 2k1q s ASN 77 CO -0.07 -0.30 1.33 0.58 0.02 0.00 0.00 177.10 178.66 2k1q h VAL 78 N 5.12 1.35 -0.83 1.60 2.07 -1.96 0.28 116.25 123.88 2k1q h VAL 78 Ca 0.04 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.28 2k1q h VAL 78 Cb 1.00 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 32.64 2k1q h VAL 78 CO 0.25 0.37 0.55 -0.78 0.02 0.00 0.00 177.57 177.98 2k1q h ASP 79 N -0.07 0.95 -0.01 0.57 1.82 -1.96 -1.92 116.42 115.79 2k1q h ASP 79 Ca 0.02 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2k1q h ASP 79 Cb 0.66 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.43 2k1q h ASP 79 CO 0.03 0.69 -0.01 1.67 -1.61 0.00 0.00 179.24 180.01 2k1q n GLN 80 N -4.51 1.67 -3.84 0.28 7.27 -1.21 -4.95 117.38 112.10 2k1q n GLN 80 Ca 0.09 -0.98 -0.27 0.00 0.07 0.00 0.00 57.00 55.91 2k1q n GLN 80 Cb 0.01 -1.48 0.03 0.00 2.41 0.00 0.00 30.24 31.21 2k1q n GLN 80 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 2k1q n ASP 81 N 0.19 -3.14 -4.09 1.69 2.03 0.81 -4.91 116.55 109.13 2k1q n ASP 81 Ca 0.19 -0.81 -0.17 0.00 0.52 0.00 0.00 54.79 54.52 2k1q n ASP 81 Cb 0.36 -3.90 -0.13 0.00 -0.72 0.00 0.00 41.12 36.73 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 -7.03 2.18 0.25 -2.67 1.43 -0.19 -1.18 118.68 111.46 2k1q s LEU 82 Ca 0.37 -0.44 -0.14 0.00 -1.03 0.00 0.00 54.13 52.89 2k1q s LEU 82 Cb -0.19 -0.40 -0.00 0.00 0.03 0.00 0.00 46.19 45.63 2k1q s LEU 82 CO 0.83 -0.05 0.50 0.68 0.23 0.00 0.00 176.35 178.54 2k1q s VAL 83 N -0.94 0.00 0.01 -1.59 -7.23 -1.16 -0.80 120.40 108.71 2k1q s VAL 83 Ca -0.02 -1.33 -0.28 0.00 -1.81 0.00 0.00 61.98 58.54 2k1q s VAL 83 Cb -0.08 -2.14 0.09 0.00 0.56 0.00 0.00 36.38 34.82 2k1q s VAL 83 CO 0.01 -0.02 0.81 -0.83 -0.31 0.00 0.00 175.10 174.76 2k1q s GLY 84 N -3.00 -0.49 0.29 2.32 0.00 -1.21 -3.27 107.32 101.97 2k1q s GLY 84 Ca 0.20 1.04 0.04 0.00 0.00 0.00 0.00 44.72 46.00 2k1q s GLY 84 CO 0.08 0.44 0.03 -0.98 0.00 0.00 0.00 173.10 172.66 2k1q s TRP 85 N -2.84 1.85 -0.12 1.90 0.51 -1.21 -1.25 118.94 117.79 2k1q s TRP 85 Ca 0.02 -0.92 -0.29 0.00 -2.12 0.00 0.00 56.10 52.79 2k1q s TRP 85 Cb -0.01 -1.15 -0.03 0.00 -0.81 0.00 0.00 33.47 31.47 2k1q s TRP 85 CO -0.07 0.03 1.48 -1.14 -0.51 0.00 0.00 176.95 176.74 2k1q s GLN 86 N -3.86 4.16 0.53 4.98 2.00 -1.13 -2.58 119.66 123.75 2k1q s GLN 86 Ca 0.34 1.90 -0.20 0.00 -2.00 0.00 0.00 55.36 55.40 2k1q s GLN 86 Cb 0.07 -3.90 -0.06 0.00 0.80 0.00 0.00 33.01 29.92 2k1q s GLN 86 CO 0.13 -0.84 1.12 0.00 -0.50 0.00 0.00 175.29 175.20 2k1q s ALA 87 N 3.94 2.73 0.64 1.58 0.00 -1.17 -4.87 121.76 124.61 2k1q s ALA 87 Ca 0.65 0.80 -0.16 0.00 0.00 0.00 0.00 51.96 53.25 2k1q s ALA 87 Cb -0.27 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 2k1q s ALA 87 CO 0.23 -0.70 1.11 -1.25 0.00 0.00 0.00 175.76 175.15 2k1q s PRO 88 N -3.26 2.90 0.63 0.00 0.04 -1.26 -4.98 135.00 129.06 2k1q s PRO 88 Ca 0.72 1.41 -0.17 0.00 0.04 0.00 0.00 61.00 63.00 2k1q s PRO 88 Cb -0.23 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 2k1q s PRO 88 CO 0.26 -1.18 1.14 -1.25 0.04 0.00 0.00 177.00 176.01 2k1q s PRO 89 N -3.99 2.89 -0.90 0.56 0.04 -1.26 -3.21 135.00 129.14 2k1q s PRO 89 Ca 0.68 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2k1q s PRO 89 Cb -0.21 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2k1q s PRO 89 CO 0.39 -1.20 0.00 0.41 0.04 0.00 0.00 177.00 176.64 2k1q n GLY 90 N -0.11 -0.07 3.70 0.56 0.00 -1.26 -4.93 105.19 103.08 2k1q n GLY 90 Ca 0.11 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.53 3.34 0.27 4.61 0.00 -1.20 -4.42 121.76 121.84 2k1q s ALA 91 Ca 0.00 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 50.82 2k1q s ALA 91 Cb 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 23.12 21.74 2k1q s ALA 91 CO 0.00 0.69 0.62 1.03 0.00 0.00 0.00 175.76 178.10 2k1q s ARG 92 N -2.00 3.88 0.34 0.00 0.52 -1.26 -4.93 118.95 115.49 2k1q s ARG 92 Ca 0.24 0.43 0.04 0.00 -0.52 0.00 0.00 55.73 55.92 2k1q s ARG 92 Cb -0.12 -2.56 -0.07 0.00 0.52 0.00 0.00 34.95 32.73 2k1q s ARG 92 CO 0.16 0.25 0.05 -1.54 0.02 0.00 0.00 175.30 174.24 2k1q s SER 93 N -2.33 2.58 -0.10 0.23 1.04 -1.26 -4.22 113.70 109.65 2k1q s SER 93 Ca 0.50 -1.37 -0.01 0.00 0.48 0.00 0.00 55.95 55.55 2k1q s SER 93 Cb -0.11 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 2k1q s SER 93 CO 0.20 -0.58 -0.04 -0.76 0.98 0.00 0.00 173.24 173.03 2k1q s LEU 94 N -3.52 3.30 0.74 2.42 1.43 -0.71 -4.91 118.68 117.43 2k1q s LEU 94 Ca 0.36 -0.00 -0.12 0.00 -1.03 0.00 0.00 54.13 53.34 2k1q s LEU 94 Cb 0.09 -1.75 0.04 0.00 0.03 0.00 0.00 46.19 44.60 2k1q s LEU 94 CO 0.16 0.32 1.11 0.42 0.23 0.00 0.00 176.35 178.59 2k1q s THR 95 N -0.53 3.13 0.49 5.49 -4.23 -1.26 -4.21 115.64 114.52 2k1q s THR 95 Ca 0.08 0.37 -0.18 0.00 -1.18 0.00 0.00 61.69 60.78 2k1q s THR 95 Cb -0.12 -3.33 -0.09 0.00 1.34 0.00 0.00 72.50 70.31 2k1q s THR 95 CO 0.02 -0.48 0.97 -2.16 -0.54 0.00 0.00 174.62 172.43 2k1q s PRO 96 N -5.37 4.02 0.19 3.99 0.04 -1.26 0.85 135.00 137.45 2k1q s PRO 96 Ca 0.59 0.99 -0.31 0.00 0.04 0.00 0.00 61.00 62.31 2k1q s PRO 96 Cb -0.11 -2.15 -0.10 0.00 0.04 0.00 0.00 34.50 32.17 2k1q s PRO 96 CO 0.52 -0.20 1.51 0.00 0.04 0.00 0.00 177.00 178.86 2k1q n THR 98 N 3.43 0.94 -0.41 0.00 5.66 -1.26 -4.83 114.28 117.81 2k1q n THR 98 Ca 0.11 -4.01 0.00 0.00 -3.05 0.00 0.00 64.05 57.10 2k1q n THR 98 Cb 0.39 -0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.13 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 -0.37 3.76 0.00 0.00 -1.26 -4.97 105.19 102.35 2k1q n GLY 100 Ca 0.00 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2k1q n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k1q s SER 101 N -2.60 6.50 0.23 1.61 1.04 -1.26 -4.97 113.70 114.25 2k1q s SER 101 Ca 0.19 0.59 0.12 0.00 0.48 0.00 0.00 55.95 57.34 2k1q s SER 101 Cb -0.09 -2.19 -0.03 0.00 0.10 0.00 0.00 66.02 63.82 2k1q s SER 101 CO 0.24 0.15 1.39 0.28 0.98 0.00 0.00 173.24 176.28 2k1q h SER 102 N 6.23 0.00 -2.90 7.02 0.02 -1.93 -3.45 113.55 118.54 2k1q h SER 102 Ca -0.44 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 59.98 2k1q h SER 102 Cb 1.18 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.75 2k1q h SER 102 CO 0.72 0.67 0.81 -1.81 -1.14 0.00 0.00 176.83 176.08 2k1q s ASP 103 N -6.54 6.69 0.13 3.07 1.01 -1.26 0.37 116.67 120.14 2k1q s ASP 103 Ca 0.03 2.49 0.05 0.00 0.71 0.00 0.00 52.55 55.82 2k1q s ASP 103 Cb 0.08 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 2k1q s ASP 103 CO 0.77 -0.75 -0.11 -0.76 0.21 0.00 0.00 175.17 174.53 2k1q s LEU 104 N 1.15 2.46 -0.21 1.23 1.43 0.02 -4.03 118.68 120.73 2k1q s LEU 104 Ca 0.68 -0.90 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 2k1q s LEU 104 Cb -0.41 -0.40 0.04 0.00 0.03 0.00 0.00 46.19 45.45 2k1q s LEU 104 CO 0.31 -0.26 -0.16 -0.31 0.23 0.00 0.00 176.35 176.16 2k1q s TYR 105 N -2.73 2.99 -0.02 0.29 2.02 -0.57 -0.88 117.35 118.44 2k1q s TYR 105 Ca 0.11 -1.94 -0.15 0.00 -0.37 0.00 0.00 57.07 54.73 2k1q s TYR 105 Cb -0.01 -1.93 -0.05 0.00 -0.40 0.00 0.00 41.96 39.57 2k1q s TYR 105 CO 0.01 -0.84 0.41 -1.17 -1.57 0.00 0.00 175.55 172.39 2k1q s LEU 106 N 1.21 4.44 -0.18 -1.29 2.96 -1.05 -2.21 118.68 122.56 2k1q s LEU 106 Ca -0.01 0.92 -0.12 0.00 -0.22 0.00 0.00 54.13 54.70 2k1q s LEU 106 Cb -0.16 -2.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.90 2k1q s LEU 106 CO -0.10 0.28 0.22 -0.69 -1.32 0.00 0.00 176.35 174.74 2k1q s VAL 107 N -0.80 5.35 0.35 1.68 1.01 -1.22 -3.18 120.40 123.59 2k1q s VAL 107 Ca 0.23 0.39 0.07 0.00 0.00 0.00 0.00 61.98 62.68 2k1q s VAL 107 Cb -0.16 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2k1q s VAL 107 CO 0.12 0.41 0.30 -0.89 0.00 0.00 0.00 175.10 175.04 2k1q s THR 108 N 0.42 3.41 0.56 3.92 2.01 -0.84 -4.74 115.64 120.38 2k1q s THR 108 Ca 0.13 -1.38 0.24 0.00 0.31 0.00 0.00 61.69 60.99 2k1q s THR 108 Cb -0.12 -3.16 0.32 0.00 0.01 0.00 0.00 72.50 69.55 2k1q s THR 108 CO 0.01 -0.15 2.21 0.03 -0.69 0.00 0.00 174.62 176.03 2k1q h ARG 109 N 1.23 0.00 -0.98 4.92 3.08 -1.91 -1.42 114.38 119.30 2k1q h ARG 109 Ca -0.44 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.26 2k1q h ARG 109 Cb 1.26 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 31.10 2k1q h ARG 109 CO 0.58 0.00 0.44 1.58 -1.07 0.00 0.00 179.97 181.50 2k1q n HIS 110 N -4.15 2.18 -3.86 3.04 -0.00 -1.26 -4.87 115.22 106.29 2k1q n HIS 110 Ca -0.03 -1.40 -0.29 0.00 0.46 0.00 0.00 57.72 56.45 2k1q n HIS 110 Cb 0.09 -0.73 0.03 0.00 -0.12 0.00 0.00 29.99 29.26 2k1q n HIS 110 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2k1q n ALA 111 N -0.61 -1.28 -2.87 1.57 0.00 -0.53 -4.96 120.51 111.84 2k1q n ALA 111 Ca 0.42 0.23 -0.35 0.00 0.00 0.00 0.00 53.44 53.74 2k1q n ALA 111 Cb 1.32 -4.67 -0.11 0.00 0.00 0.00 0.00 19.45 16.00 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 -3.29 5.46 -0.23 0.00 1.01 -1.25 -4.88 116.67 113.48 2k1q s ASP 112 Ca 0.66 -0.00 -0.05 0.00 0.71 0.00 0.00 52.55 53.87 2k1q s ASP 112 Cb -0.32 -1.94 -0.02 0.00 1.01 0.00 0.00 42.92 41.65 2k1q s ASP 112 CO 0.81 0.12 -0.01 -0.69 0.21 0.00 0.00 175.17 175.62 2k1q s VAL 113 N 0.66 3.68 0.06 -1.27 1.01 -1.26 -1.98 120.40 121.31 2k1q s VAL 113 Ca 0.03 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 61.69 2k1q s VAL 113 Cb -0.13 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 2k1q s VAL 113 CO 0.02 0.40 -0.14 0.27 0.00 0.00 0.00 175.10 175.64 2k1q s ILE 114 N 1.51 3.09 -0.39 2.22 -4.36 -1.19 -4.92 121.20 117.16 2k1q s ILE 114 Ca 0.06 -1.18 -0.24 0.00 -0.26 0.00 0.00 60.65 59.03 2k1q s ILE 114 Cb -0.14 -2.37 0.02 0.00 1.25 0.00 0.00 42.46 41.21 2k1q s ILE 114 CO -0.01 0.26 0.81 -2.16 0.24 0.00 0.00 174.94 174.08 2k1q s PRO 115 N -1.73 3.67 -0.23 0.37 0.04 -1.26 -2.53 135.00 133.32 2k1q s PRO 115 Ca 0.17 0.24 -0.05 0.00 0.04 0.00 0.00 61.00 61.40 2k1q s PRO 115 Cb -0.11 -3.85 -0.01 0.00 0.04 0.00 0.00 34.50 30.57 2k1q s PRO 115 CO 0.08 -0.95 -0.00 0.08 0.04 0.00 0.00 177.00 176.25 2k1q s VAL 116 N 3.25 3.69 0.17 -0.36 1.01 -0.06 -4.12 120.40 123.97 2k1q s VAL 116 Ca 0.32 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 2k1q s VAL 116 Cb -0.12 -2.70 -0.07 0.00 0.00 0.00 0.00 36.38 33.48 2k1q s VAL 116 CO 0.19 0.39 0.97 -0.60 0.00 0.00 0.00 175.10 176.06 2k1q s ARG 117 N 1.52 4.75 -0.01 2.72 6.06 -0.75 -0.79 118.95 132.44 2k1q s ARG 117 Ca 0.06 1.51 -0.30 0.00 -2.50 0.00 0.00 55.73 54.50 2k1q s ARG 117 Cb -0.15 -3.32 -0.03 0.00 0.06 0.00 0.00 34.95 31.51 2k1q s ARG 117 CO -0.01 0.31 0.98 0.50 -2.50 0.00 0.00 175.30 174.59 2k1q s ARG 118 N -0.53 4.55 -0.12 5.12 3.52 0.16 0.34 118.95 131.98 2k1q s ARG 118 Ca 0.45 1.42 0.15 0.00 -0.13 0.00 0.00 55.73 57.61 2k1q s ARG 118 Cb -0.25 -3.47 0.29 0.00 -1.56 0.00 0.00 34.95 29.96 2k1q s ARG 118 CO 0.32 -0.07 1.15 0.54 -0.81 0.00 0.00 175.30 176.42 2k1q n ARG 119 N 4.00 1.07 -3.21 5.12 5.12 -0.96 -4.89 116.66 122.91 2k1q n ARG 119 Ca 0.06 -2.50 0.00 0.00 -1.93 0.00 0.00 57.85 53.48 2k1q n ARG 119 Cb 0.51 -1.26 0.00 0.00 -1.16 0.00 0.00 32.46 30.55 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 -0.98 -1.43 0.28 -0.13 0.00 -1.19 -4.87 105.19 96.87 2k1q n GLY 120 Ca 0.14 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 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 1.02 0.00 1.61 3.32 -1.97 -3.33 116.42 117.07 2k1q h ASP 121 Ca 0.00 -0.42 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 2k1q h ASP 121 Cb 0.00 -0.28 -0.12 0.00 0.22 0.00 0.00 39.33 39.15 2k1q h ASP 121 CO 0.00 1.22 -0.57 -1.54 -1.72 0.00 0.00 179.24 176.64 2k1q n SER 122 N -4.09 1.30 -4.26 6.45 3.41 -1.26 -4.57 113.62 110.59 2k1q n SER 122 Ca -0.01 -2.81 -0.15 0.00 -0.26 0.00 0.00 58.87 55.64 2k1q n SER 122 Cb 0.49 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 63.96 2k1q n SER 122 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2k1q s ARG 123 N -1.58 1.10 0.29 4.33 1.81 -1.25 -0.87 118.95 122.78 2k1q s ARG 123 Ca 0.28 -1.47 -0.12 0.00 -1.72 0.00 0.00 55.73 52.70 2k1q s ARG 123 Cb 0.29 -0.69 0.01 0.00 -0.45 0.00 0.00 34.95 34.10 2k1q s ARG 123 CO -0.07 0.09 0.55 0.20 -0.68 0.00 0.00 175.30 175.39 2k1q s GLY 124 N -3.19 0.62 0.06 -3.53 0.00 0.59 -2.26 107.32 99.62 2k1q s GLY 124 Ca 0.17 -0.92 0.07 0.00 0.00 0.00 0.00 44.72 44.05 2k1q s GLY 124 CO 0.01 -0.59 -0.19 -1.35 0.00 0.00 0.00 173.10 170.98 2k1q s SER 125 N -3.05 2.26 -0.27 1.64 1.04 0.15 -1.67 113.70 113.80 2k1q s SER 125 Ca 0.22 -0.57 -0.11 0.00 0.48 0.00 0.00 55.95 55.97 2k1q s SER 125 Cb -0.02 -0.15 -0.05 0.00 0.10 0.00 0.00 66.02 65.90 2k1q s SER 125 CO 0.11 0.08 0.19 -0.76 0.98 0.00 0.00 173.24 173.85 2k1q s LEU 126 N -1.43 4.04 0.24 2.42 1.02 0.12 -1.82 118.68 123.27 2k1q s LEU 126 Ca 0.05 0.03 -0.06 0.00 0.02 0.00 0.00 54.13 54.17 2k1q s LEU 126 Cb -0.09 -2.13 0.23 0.00 0.02 0.00 0.00 46.19 44.22 2k1q s LEU 126 CO 0.02 -0.03 1.89 -0.07 0.02 0.00 0.00 176.35 178.18 2k1q h LEU 127 N 8.19 1.15 -8.27 1.79 4.07 -1.87 -3.38 115.31 116.98 2k1q h LEU 127 Ca -0.36 -0.07 -0.68 0.00 0.08 0.00 0.00 57.88 56.85 2k1q h LEU 127 Cb 1.18 -0.29 -0.28 0.00 1.08 0.00 0.00 40.66 42.35 2k1q h LEU 127 CO 0.58 0.88 -0.64 -0.44 -1.08 0.00 0.00 178.44 177.74 2k1q s SER 128 N -6.18 5.08 0.12 -0.43 0.01 -1.26 -5.07 113.70 105.97 2k1q s SER 128 Ca -0.13 -0.91 -0.31 0.00 1.31 0.00 0.00 55.95 55.91 2k1q s SER 128 Cb 0.17 -1.84 -0.09 0.00 0.21 0.00 0.00 66.02 64.47 2k1q s SER 128 CO 0.83 -0.23 1.63 -2.16 0.41 0.00 0.00 173.24 173.71 2k1q s PRO 129 N 1.43 4.20 0.20 12.44 0.04 -1.26 -5.00 135.00 147.05 2k1q s PRO 129 Ca 0.00 2.37 0.07 0.00 0.04 0.00 0.00 61.00 63.49 2k1q s PRO 129 Cb -0.18 -3.38 -0.05 0.00 0.04 0.00 0.00 34.50 30.93 2k1q s PRO 129 CO 0.02 -0.68 -0.14 1.03 0.04 0.00 0.00 177.00 177.26 2k1q s ARG 130 N 1.92 1.30 0.50 4.56 0.52 -1.23 -4.93 118.95 121.59 2k1q s ARG 130 Ca 0.73 -1.58 -0.22 0.00 -0.52 0.00 0.00 55.73 54.13 2k1q s ARG 130 Cb -0.42 -1.07 -0.06 0.00 0.52 0.00 0.00 34.95 33.91 2k1q s ARG 130 CO 0.32 0.17 1.24 -1.25 0.02 0.00 0.00 175.30 175.81 2k1q s PRO 131 N -3.66 3.50 0.56 3.54 0.04 -1.26 -1.38 135.00 136.35 2k1q s PRO 131 Ca 0.22 1.96 0.25 0.00 0.04 0.00 0.00 61.00 63.46 2k1q s PRO 131 Cb -0.00 -2.34 1.61 0.00 0.04 0.00 0.00 34.50 33.81 2k1q s PRO 131 CO 0.06 -0.81 2.22 -0.39 0.04 0.00 0.00 177.00 178.12 2k1q h VAL 132 N 1.69 0.71 -1.00 -0.36 -1.51 -1.72 -2.14 116.25 111.91 2k1q h VAL 132 Ca -0.50 -0.00 0.01 0.00 -1.23 0.00 0.00 66.70 64.98 2k1q h VAL 132 Cb 1.27 1.00 -0.05 0.00 -2.13 0.00 0.00 31.29 31.38 2k1q h VAL 132 CO 0.59 0.00 0.67 -1.28 -1.23 0.00 0.00 177.57 176.32 2k1q h SER 133 N 0.00 1.15 -0.66 4.19 0.87 -1.90 -1.29 113.55 115.91 2k1q h SER 133 Ca -0.00 -0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.45 2k1q h SER 133 Cb 0.00 -0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 2k1q h SER 133 CO 0.00 0.83 0.09 0.22 -0.53 0.00 0.00 176.83 177.44 2k1q h TYR 134 N 1.36 1.19 0.00 2.24 3.20 -1.76 -2.67 116.97 120.53 2k1q h TYR 134 Ca 0.37 -0.17 -0.08 0.00 3.14 0.00 0.00 58.73 61.99 2k1q h TYR 134 Cb -0.15 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.78 2k1q h TYR 134 CO -0.00 1.00 -0.37 -0.07 -1.64 0.00 0.00 178.16 177.08 2k1q h LEU 135 N 1.04 0.00 -9.87 2.82 -0.00 -1.45 -3.45 115.31 104.40 2k1q h LEU 135 Ca 0.20 0.00 -0.55 0.00 -0.00 0.00 0.00 57.88 57.53 2k1q h LEU 135 Cb 0.47 0.00 0.11 0.00 -0.00 0.00 0.00 40.66 41.24 2k1q h LEU 135 CO 0.02 0.37 0.67 0.29 -0.00 0.00 0.00 178.44 179.79 2k1q n LYS 136 N -3.69 2.46 -0.64 1.13 4.76 -0.54 -2.07 118.16 119.58 2k1q n LYS 136 Ca -0.01 0.86 0.00 0.00 -2.87 0.00 0.00 58.31 56.29 2k1q n LYS 136 Cb 0.47 -2.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.12 2k1q n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k1q n GLY 137 N 0.57 0.72 0.24 0.72 0.00 -1.26 -4.90 105.19 101.28 2k1q n GLY 137 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 2k1q n GLY 137 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k1q n SER 138 N 0.00 1.25 -4.78 1.61 3.41 -0.88 -4.19 113.62 110.04 2k1q n SER 138 Ca 0.00 -1.12 -0.41 0.00 -0.26 0.00 0.00 58.87 57.08 2k1q n SER 138 Cb 0.00 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2k1q n SER 138 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k1q n SER 139 N -0.19 3.84 0.00 4.04 7.64 -1.26 -1.82 113.62 125.87 2k1q n SER 139 Ca 0.04 1.23 0.00 0.00 1.01 0.00 0.00 58.87 61.15 2k1q n SER 139 Cb 0.21 -1.63 0.00 0.00 -1.01 0.00 0.00 64.21 61.78 2k1q n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k1q n GLY 140 N 0.44 3.27 3.73 0.23 0.00 -0.80 -3.18 105.19 108.89 2k1q n GLY 140 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.80 2.85 0.34 -0.02 0.00 -0.76 -3.39 107.32 103.53 2k1q s GLY 141 Ca 0.00 1.20 -0.04 0.00 0.00 0.00 0.00 44.72 45.88 2k1q s GLY 141 CO 0.00 1.62 0.60 2.56 0.00 0.00 0.00 173.10 177.88 2k1q s PRO 142 N -3.38 3.59 -0.35 2.90 0.04 -1.26 -1.66 135.00 134.88 2k1q s PRO 142 Ca 0.82 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.83 2k1q s PRO 142 Cb -0.37 -2.60 0.09 0.00 0.04 0.00 0.00 34.50 31.66 2k1q s PRO 142 CO 0.39 0.13 0.08 -0.51 0.04 0.00 0.00 177.00 177.13 2k1q s LEU 143 N -3.92 4.64 -0.11 -3.56 1.02 0.18 -3.45 118.68 113.48 2k1q s LEU 143 Ca 0.44 -1.86 -0.15 0.00 0.02 0.00 0.00 54.13 52.58 2k1q s LEU 143 Cb -0.10 -1.71 -0.05 0.00 0.02 0.00 0.00 46.19 44.35 2k1q s LEU 143 CO 0.34 -0.40 0.35 -0.76 0.02 0.00 0.00 176.35 175.90 2k1q s LEU 144 N 1.08 4.32 0.75 1.79 1.02 -0.94 0.08 118.68 126.78 2k1q s LEU 144 Ca 0.05 0.68 -0.11 0.00 0.02 0.00 0.00 54.13 54.77 2k1q s LEU 144 Cb -0.21 -2.47 0.05 0.00 0.02 0.00 0.00 46.19 43.58 2k1q s LEU 144 CO -0.05 0.15 1.09 0.00 0.02 0.00 0.00 176.35 177.57 2k1q h PRO 146 N -0.97 0.00 -0.85 0.00 0.13 -1.92 -0.46 132.00 127.95 2k1q h PRO 146 Ca -0.44 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 2k1q h PRO 146 Cb 1.23 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 2k1q h PRO 146 CO 0.52 0.00 0.40 0.77 -0.23 0.00 0.00 178.00 179.46 2k1q h SER 147 N 0.00 1.12 0.00 1.44 0.02 -1.94 -3.46 113.55 110.73 2k1q h SER 147 Ca 0.22 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2k1q h SER 147 Cb 1.15 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.41 2k1q h SER 147 CO -0.00 0.95 0.00 0.61 -1.14 0.00 0.00 176.83 177.24 2k1q n GLY 148 N -0.99 0.98 2.98 -3.77 0.00 -0.18 -5.15 105.19 99.06 2k1q n GLY 148 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.87 0.43 0.33 1.61 3.76 -1.25 -4.80 115.29 113.51 2k1q s HIS 149 Ca 0.00 -0.28 -0.29 0.00 -0.15 0.00 0.00 55.06 54.34 2k1q s HIS 149 Cb 0.00 -0.27 -0.10 0.00 1.11 0.00 0.00 32.58 33.32 2k1q s HIS 149 CO 0.00 -0.06 1.31 0.00 -0.85 0.00 0.00 174.74 175.14 2k1q s ALA 150 N -0.74 3.50 -0.09 -1.40 0.00 0.25 -1.33 121.76 121.95 2k1q s ALA 150 Ca -0.05 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.21 2k1q s ALA 150 Cb -0.06 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.51 2k1q s ALA 150 CO -0.00 -0.66 -0.04 0.28 0.00 0.00 0.00 175.76 175.34 2k1q n VAL 151 N 0.78 0.54 -3.85 0.00 0.31 0.11 0.44 118.33 116.66 2k1q n VAL 151 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2k1q n VAL 151 Cb 0.42 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 2k1q n VAL 151 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k1q n GLY 152 N 2.85 0.44 3.10 2.92 0.00 -1.23 -2.14 105.19 111.14 2k1q n GLY 152 Ca -0.15 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.00 1.07 0.31 -0.61 1.01 -1.00 -0.64 121.20 119.34 2k1q s ILE 153 Ca 0.00 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.77 2k1q s ILE 153 Cb 0.00 -0.89 -0.11 0.00 0.01 0.00 0.00 42.46 41.46 2k1q s ILE 153 CO 0.00 0.30 1.57 0.12 0.00 0.00 0.00 174.94 176.92 2k1q s PHE 154 N -0.33 2.71 -0.04 3.97 5.36 -0.66 -1.89 117.98 127.10 2k1q s PHE 154 Ca 0.05 0.88 -0.03 0.00 -0.96 0.00 0.00 56.93 56.87 2k1q s PHE 154 Cb -0.05 -4.06 -0.02 0.00 -0.34 0.00 0.00 43.02 38.55 2k1q s PHE 154 CO -0.00 -3.43 -0.08 -2.13 -1.46 0.00 0.00 175.22 168.12 2k1q n ARG 155 N 1.73 0.12 -3.55 10.12 0.63 -0.18 -1.90 116.66 123.63 2k1q n ARG 155 Ca 0.06 0.05 -0.11 0.00 -0.92 0.00 0.00 57.85 56.94 2k1q n ARG 155 Cb 0.38 -0.71 -0.04 0.00 0.45 0.00 0.00 32.46 32.54 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 -2.13 -1.19 0.11 5.13 0.00 -1.17 -4.89 121.76 117.63 2k1q s ALA 156 Ca -0.08 0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.10 2k1q s ALA 156 Cb 0.03 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 2k1q s ALA 156 CO 0.10 -0.69 -0.04 0.00 0.00 0.00 0.00 175.76 175.13 2k1q s ALA 157 N -3.78 3.15 -0.24 0.00 0.00 -1.26 -1.71 121.76 117.93 2k1q s ALA 157 Ca 0.02 -1.22 -0.05 0.00 0.00 0.00 0.00 51.96 50.71 2k1q s ALA 157 Cb 0.01 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 2k1q s ALA 157 CO -0.12 0.63 0.00 0.08 0.00 0.00 0.00 175.76 176.35 2k1q s VAL 158 N -1.37 3.70 0.07 0.00 1.01 0.34 -4.98 120.40 119.17 2k1q s VAL 158 Ca 0.25 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.83 2k1q s VAL 158 Cb -0.11 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 2k1q s VAL 158 CO 0.17 0.37 -0.08 0.00 0.00 0.00 0.00 175.10 175.55 2k1q n THR 160 N 0.77 1.29 -2.59 0.00 -1.04 -1.14 -4.77 114.28 106.80 2k1q n THR 160 Ca -0.18 -0.35 -0.17 0.00 -2.04 0.00 0.00 64.05 61.31 2k1q n THR 160 Cb 0.57 -1.75 0.02 0.00 -1.82 0.00 0.00 70.33 67.35 2k1q n THR 160 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2k1q n ARG 161 N -3.94 2.16 -0.28 -2.82 1.74 -1.26 -4.88 116.66 107.38 2k1q n ARG 161 Ca -0.46 -3.82 0.00 0.00 -0.77 0.00 0.00 57.85 52.80 2k1q n ARG 161 Cb 0.84 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 2k1q n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k1q n GLY 162 N -0.24 1.08 3.38 -0.13 0.00 -1.26 -5.03 105.19 102.99 2k1q n GLY 162 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.78 3.18 -0.25 1.61 1.01 -1.26 -1.84 120.40 120.07 2k1q s VAL 163 Ca 0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 2k1q s VAL 163 Cb 0.00 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 2k1q s VAL 163 CO 0.00 0.52 0.17 0.00 0.00 0.00 0.00 175.10 175.78 2k1q s ALA 164 N 0.41 3.59 -0.10 5.51 0.00 -0.48 -2.89 121.76 127.80 2k1q s ALA 164 Ca -0.09 -0.93 0.12 0.00 0.00 0.00 0.00 51.96 51.06 2k1q s ALA 164 Cb -0.16 -2.36 -0.17 0.00 0.00 0.00 0.00 23.12 20.43 2k1q s ALA 164 CO 0.05 -0.27 0.30 1.63 0.00 0.00 0.00 175.76 177.46 2k1q n LYS 165 N 4.45 0.83 -3.95 0.00 5.02 -1.01 -3.55 118.16 119.95 2k1q n LYS 165 Ca -0.15 -0.09 -0.09 0.00 -2.02 0.00 0.00 58.31 55.96 2k1q n LYS 165 Cb 0.52 -1.24 -0.10 0.00 -0.02 0.00 0.00 35.03 34.19 2k1q n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k1q s ALA 166 N -2.69 0.02 0.15 7.82 0.00 -1.24 0.12 121.76 125.93 2k1q s ALA 166 Ca -0.03 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.35 2k1q s ALA 166 Cb 0.08 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 2k1q s ALA 166 CO 0.49 -0.27 -0.01 0.14 0.00 0.00 0.00 175.76 176.11 2k1q s VAL 167 N -2.34 0.60 -0.06 0.00 -7.23 -0.67 -0.50 120.40 110.19 2k1q s VAL 167 Ca -0.07 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.19 2k1q s VAL 167 Cb -0.03 -2.02 -0.01 0.00 0.56 0.00 0.00 36.38 34.89 2k1q s VAL 167 CO -0.04 -0.56 -0.22 -0.62 -0.31 0.00 0.00 175.10 173.35 2k1q s ASP 168 N -3.13 2.74 0.12 4.85 -1.08 -0.69 -0.30 116.67 119.18 2k1q s ASP 168 Ca 0.21 -0.46 0.04 0.00 -0.52 0.00 0.00 52.55 51.82 2k1q s ASP 168 Cb 0.06 -0.87 -0.04 0.00 -1.46 0.00 0.00 42.92 40.62 2k1q s ASP 168 CO 0.02 0.19 -0.10 0.72 0.52 0.00 0.00 175.17 176.52 2k1q s PHE 169 N 0.02 1.17 -0.25 -5.34 -0.12 -0.04 -1.01 117.98 112.40 2k1q s PHE 169 Ca -0.07 -0.70 -0.17 0.00 -0.05 0.00 0.00 56.93 55.94 2k1q s PHE 169 Cb -0.14 -0.62 -0.03 0.00 -0.63 0.00 0.00 43.02 41.60 2k1q s PHE 169 CO 0.04 0.04 0.47 0.08 -0.05 0.00 0.00 175.22 175.80 2k1q s VAL 170 N -2.84 5.11 0.55 -2.49 1.01 -0.79 -4.45 120.40 116.50 2k1q s VAL 170 Ca 0.11 0.78 -0.20 0.00 0.00 0.00 0.00 61.98 62.67 2k1q s VAL 170 Cb -0.00 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2k1q s VAL 170 CO 0.00 0.12 1.21 -2.16 0.00 0.00 0.00 175.10 174.27 2k1q s PRO 171 N 2.12 3.23 0.62 2.72 0.04 -1.26 -2.37 135.00 140.09 2k1q s PRO 171 Ca 0.19 1.84 0.34 0.00 0.04 0.00 0.00 61.00 63.41 2k1q s PRO 171 Cb -0.16 -2.09 1.99 0.00 0.04 0.00 0.00 34.50 34.29 2k1q s PRO 171 CO 0.09 -1.00 2.27 0.28 0.04 0.00 0.00 177.00 178.68 2k1q h VAL 172 N 1.23 0.35 -0.49 -0.36 2.07 -1.78 -2.14 116.25 115.13 2k1q h VAL 172 Ca -0.50 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.03 2k1q h VAL 172 Cb 1.28 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 2k1q h VAL 172 CO 0.57 0.00 0.32 -0.33 0.02 0.00 0.00 177.57 178.15 2k1q h GLU 173 N 0.00 0.59 -0.29 1.57 5.08 -1.90 -2.10 114.58 117.54 2k1q h GLU 173 Ca 0.01 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 2k1q h GLU 173 Cb 0.07 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2k1q h GLU 173 CO -0.00 0.39 -0.41 0.66 -1.00 0.00 0.00 179.01 178.65 2k1q h SER 174 N 0.61 0.75 -0.00 1.42 4.64 -1.75 -2.84 113.55 116.38 2k1q h SER 174 Ca 0.19 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2k1q h SER 174 Cb 0.00 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.88 2k1q h SER 174 CO -0.04 1.06 -0.00 0.24 -0.87 0.00 0.00 176.83 177.22 2k1q h MET 175 N 0.57 -0.00 0.00 4.77 2.86 -1.49 -2.39 114.93 119.25 2k1q h MET 175 Ca 0.05 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 2k1q h MET 175 Cb 0.95 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 2k1q h MET 175 CO 0.09 -0.00 -0.21 1.05 1.06 0.00 0.00 176.91 178.90 2k1q h GLU 176 N -0.00 0.00 -0.73 1.72 4.11 -1.54 -2.63 114.58 115.50 2k1q h GLU 176 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k1q h GLU 176 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2k1q h GLU 176 CO -0.00 0.21 0.46 1.15 0.07 0.00 0.00 179.01 180.89 2k1q h THR 177 N 0.00 1.20 -0.34 -1.06 2.02 -1.18 -0.66 112.91 112.89 2k1q h THR 177 Ca -0.00 -0.41 -0.15 0.00 0.77 0.00 0.00 66.41 66.62 2k1q h THR 177 Cb 0.39 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2k1q h THR 177 CO 0.03 0.20 -0.38 0.74 0.37 0.00 0.00 175.52 176.48 2k1q h THR 178 N 0.99 1.28 -0.81 3.16 2.02 -1.30 -2.31 112.91 115.94 2k1q h THR 178 Ca 0.26 -1.55 -0.04 0.00 0.77 0.00 0.00 66.41 65.85 2k1q h THR 178 Cb -0.07 1.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 2k1q h THR 178 CO -0.05 0.51 0.34 0.24 0.37 0.00 0.00 175.52 176.93 2k1q h MET 179 N 0.66 1.20 -0.47 6.66 2.07 -1.24 -1.86 114.93 121.96 2k1q h MET 179 Ca 0.05 -0.21 -0.14 0.00 -2.07 0.00 0.00 59.70 57.33 2k1q h MET 179 Cb 0.97 -0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 30.49 2k1q h MET 179 CO 0.09 0.96 -0.26 0.00 1.07 0.00 0.00 176.91 178.78 2k1q h ARG 180 N 1.18 1.00 -0.76 1.72 3.08 -1.08 -2.95 114.38 116.57 2k1q h ARG 180 Ca 0.27 -0.45 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 2k1q h ARG 180 Cb 0.20 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 2k1q h ARG 180 CO -0.03 1.12 0.24 0.00 -1.07 0.00 0.00 179.97 180.24 2k1q h ALA 181 N 0.85 0.99 0.00 0.04 0.00 -1.15 -0.61 119.26 119.37 2k1q h ALA 181 Ca 0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k1q h ALA 181 Cb 0.84 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k1q h ALA 181 CO 0.07 0.67 -0.00 1.03 0.00 0.00 0.00 179.25 181.03 2k1q h SER 182 N 1.13 -0.00 0.52 0.00 0.87 -1.25 -2.60 113.55 112.21 2k1q h SER 182 Ca 0.25 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.70 2k1q h SER 182 Cb 0.30 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 2k1q h SER 182 CO -0.01 -0.00 -0.48 0.07 -0.53 0.00 0.00 176.83 175.88 2k1q h LYS 183 N -0.00 0.00 -5.66 2.24 2.10 -1.41 -3.48 116.57 110.35 2k1q h LYS 183 Ca -0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 2k1q h LYS 183 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 2k1q h LYS 183 CO 0.00 0.48 -0.88 1.17 -2.00 0.00 0.00 179.45 178.21 2k1q n LYS 184 N -3.91 -2.29 -1.09 0.07 4.81 -0.25 -4.74 118.16 110.75 2k1q n LYS 184 Ca -0.01 1.98 0.14 0.00 -0.87 0.00 0.00 58.31 59.54 2k1q n LYS 184 Cb 0.50 -4.08 -0.04 0.00 0.02 0.00 0.00 35.03 31.43 2k1q n LYS 184 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2k1q n LYS 185 N 0.35 -2.16 0.00 1.64 4.76 -1.26 -5.10 118.16 116.38 2k1q n LYS 185 Ca 0.02 1.49 0.13 0.00 -2.87 0.00 0.00 58.31 57.08 2k1q n LYS 185 Cb 0.36 -2.66 0.30 0.00 -1.84 0.00 0.00 35.03 31.19 2k1q n LYS 185 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20