#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 -0.27 3.64 3.38 0.00 -1.26 -5.08 105.19 105.60 2k1q n GLY 23 Ca 0.00 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 2k1q n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k1q s ARG 24 N -5.51 2.92 0.05 1.61 0.52 -1.26 -5.02 118.95 112.25 2k1q s ARG 24 Ca 0.72 -0.46 -0.14 0.00 -0.52 0.00 0.00 55.73 55.33 2k1q s ARG 24 Cb -0.03 -2.73 0.02 0.00 0.52 0.00 0.00 34.95 32.73 2k1q s ARG 24 CO 0.49 0.68 0.31 0.34 0.02 0.00 0.00 175.30 177.14 2k1q s ASP 25 N -0.83 -0.13 0.62 0.23 -1.08 -1.26 -4.72 116.67 109.50 2k1q s ASP 25 Ca 0.13 -0.20 -0.11 0.00 -0.52 0.00 0.00 52.55 51.84 2k1q s ASP 25 Cb -0.11 0.37 -0.04 0.00 -1.46 0.00 0.00 42.92 41.67 2k1q s ASP 25 CO 0.02 -0.63 1.03 -0.54 0.52 0.00 0.00 175.17 175.56 2k1q s LYS 26 N -2.66 3.60 0.25 4.34 1.02 -1.26 -4.96 119.74 120.07 2k1q s LYS 26 Ca -0.04 0.75 -0.06 0.00 0.02 0.00 0.00 55.97 56.64 2k1q s LYS 26 Cb -0.00 -2.08 0.27 0.00 -0.52 0.00 0.00 37.83 35.49 2k1q s LYS 26 CO -0.04 -0.57 1.93 -0.91 -0.92 0.00 0.00 175.35 174.84 2k1q h ASN 27 N -0.32 1.15 -3.92 2.83 -0.26 -2.03 -3.42 115.58 109.62 2k1q h ASN 27 Ca -0.44 -0.03 -0.53 0.00 -0.56 0.00 0.00 56.30 54.73 2k1q h ASN 27 Cb 1.19 -0.29 0.09 0.00 -1.06 0.00 0.00 38.32 38.25 2k1q h ASN 27 CO 0.62 0.84 0.73 -1.58 -1.06 0.00 0.00 177.43 176.98 2k1q s GLN 28 N -6.10 4.19 -0.11 0.81 0.74 -1.26 -5.01 119.66 112.92 2k1q s GLN 28 Ca -0.13 2.45 0.03 0.00 0.05 0.00 0.00 55.36 57.77 2k1q s GLN 28 Cb 0.18 -3.00 -0.00 0.00 1.10 0.00 0.00 33.01 31.29 2k1q s GLN 28 CO 0.82 -0.42 -0.23 0.08 -0.55 0.00 0.00 175.29 175.00 2k1q s VAL 29 N -1.13 2.16 0.22 1.34 1.01 -1.26 -5.01 120.40 117.73 2k1q s VAL 29 Ca 0.51 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 2k1q s VAL 29 Cb -0.44 -1.84 0.18 0.00 0.00 0.00 0.00 36.38 34.29 2k1q s VAL 29 CO 0.60 0.55 1.82 -0.33 0.00 0.00 0.00 175.10 177.74 2k1q h GLU 30 N 6.80 1.23 0.00 2.72 5.08 -1.94 -3.48 114.58 124.98 2k1q h GLU 30 Ca -0.22 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2k1q h GLU 30 Cb 1.23 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2k1q h GLU 30 CO 0.49 0.94 0.00 0.41 -1.00 0.00 0.00 179.01 179.85 2k1q n GLY 31 N -1.00 4.10 0.28 -3.84 0.00 -1.26 -4.93 105.19 98.53 2k1q n GLY 31 Ca 0.08 -1.41 -0.06 0.00 0.00 0.00 0.00 46.02 44.63 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 0.78 -5.15 1.61 5.08 -1.94 -3.42 114.58 111.54 2k1q h GLU 32 Ca 0.00 -0.25 -0.62 0.00 -1.00 0.00 0.00 59.36 57.48 2k1q h GLU 32 Cb 0.00 -0.07 -0.16 0.00 0.50 0.00 0.00 28.75 29.02 2k1q h GLU 32 CO 0.00 0.85 -0.55 0.08 -1.00 0.00 0.00 179.01 178.39 2k1q s VAL 33 N -4.82 4.94 0.15 3.13 1.01 -1.26 -2.94 120.40 120.60 2k1q s VAL 33 Ca -0.09 0.03 0.10 0.00 0.00 0.00 0.00 61.98 62.01 2k1q s VAL 33 Cb 0.14 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2k1q s VAL 33 CO 0.82 0.40 -0.19 -1.10 0.00 0.00 0.00 175.10 175.03 2k1q s GLN 34 N 0.82 1.72 0.00 2.72 -0.21 -1.21 -5.01 119.66 118.49 2k1q s GLN 34 Ca 0.05 -1.29 -0.19 0.00 0.02 0.00 0.00 55.36 53.95 2k1q s GLN 34 Cb -0.13 -2.04 -0.06 0.00 1.00 0.00 0.00 33.01 31.78 2k1q s GLN 34 CO 0.02 0.45 0.56 0.54 -2.12 0.00 0.00 175.29 174.74 2k1q s VAL 35 N -1.33 4.91 -0.03 1.09 0.11 -1.26 -2.85 120.40 121.03 2k1q s VAL 35 Ca 0.19 1.17 0.03 0.00 -2.93 0.00 0.00 61.98 60.45 2k1q s VAL 35 Cb -0.10 -3.89 -0.00 0.00 -1.53 0.00 0.00 36.38 30.86 2k1q s VAL 35 CO 0.10 0.46 -0.13 0.68 -3.33 0.00 0.00 175.10 172.88 2k1q s VAL 36 N -0.41 1.05 0.25 2.04 -7.23 -0.78 -4.09 120.40 111.23 2k1q s VAL 36 Ca 0.29 -0.53 0.01 0.00 -1.81 0.00 0.00 61.98 59.95 2k1q s VAL 36 Cb -0.18 -0.90 -0.05 0.00 0.56 0.00 0.00 36.38 35.81 2k1q s VAL 36 CO 0.17 0.31 0.12 -0.44 -0.31 0.00 0.00 175.10 174.94 2k1q s SER 37 N -0.01 1.00 0.03 4.85 0.01 -0.41 -1.40 113.70 117.77 2k1q s SER 37 Ca -0.01 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 55.83 2k1q s SER 37 Cb -0.08 0.26 -0.00 0.00 0.21 0.00 0.00 66.02 66.41 2k1q s SER 37 CO 0.01 -0.79 0.01 0.35 0.41 0.00 0.00 173.24 173.23 2k1q n THR 38 N -0.44 0.00 0.27 1.44 -2.24 0.21 -1.21 114.28 112.31 2k1q n THR 38 Ca 0.01 -0.17 0.14 0.00 -2.27 0.00 0.00 64.05 61.76 2k1q n THR 38 Cb 0.66 0.07 0.78 0.00 -2.10 0.00 0.00 70.33 69.74 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 1.05 1.27 0.00 6.98 0.00 -2.01 -3.35 119.26 123.21 2k1q h ALA 39 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2k1q h ALA 39 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k1q h ALA 39 CO 0.03 0.11 -0.08 -2.37 0.00 0.00 0.00 179.25 176.95 2k1q n THR 40 N -3.59 0.00 -4.30 0.00 5.66 -1.26 -5.10 114.28 105.69 2k1q n THR 40 Ca -0.02 -0.03 -0.24 0.00 -3.05 0.00 0.00 64.05 60.71 2k1q n THR 40 Cb 0.21 0.49 -0.13 0.00 -1.55 0.00 0.00 70.33 69.36 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 -0.21 1.13 0.01 1.09 2.00 -1.26 -5.15 119.66 117.27 2k1q s GLN 41 Ca 0.00 -1.14 0.03 0.00 -2.00 0.00 0.00 55.36 52.25 2k1q s GLN 41 Cb 0.00 -1.37 -0.01 0.00 0.80 0.00 0.00 33.01 32.43 2k1q s GLN 41 CO 0.00 0.32 -0.10 -1.54 -0.50 0.00 0.00 175.29 173.47 2k1q s SER 42 N -1.85 1.16 0.22 6.67 1.04 -1.26 0.66 113.70 120.34 2k1q s SER 42 Ca 0.06 -0.27 -0.13 0.00 0.48 0.00 0.00 55.95 56.09 2k1q s SER 42 Cb -0.10 -0.10 0.05 0.00 0.10 0.00 0.00 66.02 65.97 2k1q s SER 42 CO 0.04 0.06 0.67 2.22 0.98 0.00 0.00 173.24 177.21 2k1q n PHE 43 N 2.49 -1.62 -4.12 5.02 -1.74 -0.49 -4.55 117.46 112.45 2k1q n PHE 43 Ca -0.15 -1.18 -0.28 0.00 -0.56 0.00 0.00 57.45 55.27 2k1q n PHE 43 Cb 0.56 0.58 -0.02 0.00 1.52 0.00 0.00 39.48 42.13 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 2.55 0.14 5.98 1.43 -0.09 -1.87 118.68 126.81 2k1q s LEU 44 Ca 0.14 -1.38 -0.18 0.00 -1.03 0.00 0.00 54.13 51.68 2k1q s LEU 44 Cb -0.03 -1.03 0.04 0.00 0.03 0.00 0.00 46.19 45.20 2k1q s LEU 44 CO 0.07 -1.08 0.46 0.00 0.23 0.00 0.00 176.35 176.03 2k1q s ALA 45 N -2.82 -1.10 -0.02 4.21 0.00 -1.13 -3.95 121.76 116.95 2k1q s ALA 45 Ca 0.25 0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.34 2k1q s ALA 45 Cb -0.02 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 2k1q s ALA 45 CO 0.16 -0.69 -0.18 -0.08 0.00 0.00 0.00 175.76 174.97 2k1q s THR 46 N -3.80 1.47 -0.47 0.00 -1.32 -0.98 -3.35 115.64 107.19 2k1q s THR 46 Ca 0.03 -0.78 -0.17 0.00 -1.21 0.00 0.00 61.69 59.56 2k1q s THR 46 Cb 0.01 -1.23 0.05 0.00 -1.51 0.00 0.00 72.50 69.81 2k1q s THR 46 CO -0.12 0.42 0.50 0.00 -2.21 0.00 0.00 174.62 173.21 2k1q s VAL 48 N 2.19 3.68 -1.47 0.00 1.01 0.11 -2.10 120.40 123.82 2k1q s VAL 48 Ca 0.11 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 2k1q s VAL 48 Cb -0.20 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.62 2k1q s VAL 48 CO 0.11 0.50 0.70 -3.20 0.00 0.00 0.00 175.10 173.21 2k1q n ASN 49 N 3.52 -5.50 -0.35 3.32 2.85 -1.26 -1.11 115.26 116.73 2k1q n ASN 49 Ca -0.18 -0.39 -0.05 0.00 -0.11 0.00 0.00 54.58 53.86 2k1q n ASN 49 Cb 0.53 -4.44 -0.02 0.00 1.24 0.00 0.00 39.78 37.09 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 -1.53 0.73 2.97 8.20 0.00 -1.26 -5.02 105.19 109.28 2k1q n GLY 50 Ca -0.06 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.11 0.87 0.51 1.61 1.01 -0.26 -3.27 120.40 118.76 2k1q s VAL 51 Ca 0.00 -0.33 -0.20 0.00 0.00 0.00 0.00 61.98 61.46 2k1q s VAL 51 Cb 0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 36.38 35.48 2k1q s VAL 51 CO 0.00 0.30 1.07 0.00 0.00 0.00 0.00 175.10 176.47 2k1q s TRP 53 N -1.91 0.70 0.18 0.00 0.52 0.16 -2.87 118.94 115.72 2k1q s TRP 53 Ca 0.69 -0.50 -0.21 0.00 0.02 0.00 0.00 56.10 56.10 2k1q s TRP 53 Cb -0.19 -0.42 0.07 0.00 -1.15 0.00 0.00 33.47 31.79 2k1q s TRP 53 CO 0.23 -0.08 1.01 -2.37 0.02 0.00 0.00 176.95 175.76 2k1q n THR 54 N 1.45 0.00 -3.18 2.01 5.66 -1.13 -2.33 114.28 116.76 2k1q n THR 54 Ca -0.23 -0.56 -0.27 0.00 -3.05 0.00 0.00 64.05 59.95 2k1q n THR 54 Cb 0.55 0.76 -0.02 0.00 -1.55 0.00 0.00 70.33 70.07 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 5.01 0.05 1.08 0.11 -1.26 -2.65 120.40 120.66 2k1q s VAL 55 Ca 0.23 -0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 59.08 2k1q s VAL 55 Cb -0.03 -3.79 -0.17 0.00 -1.53 0.00 0.00 36.38 30.86 2k1q s VAL 55 CO 0.05 -0.51 1.25 0.22 -3.33 0.00 0.00 175.10 172.79 2k1q h TYR 56 N 1.11 0.70 0.00 1.54 5.03 -1.03 -1.35 116.97 122.96 2k1q h TYR 56 Ca -0.48 -0.29 -0.00 0.00 2.58 0.00 0.00 58.73 60.53 2k1q h TYR 56 Cb 1.20 -0.11 -0.00 0.00 1.55 0.00 0.00 36.73 39.37 2k1q h TYR 56 CO 0.56 1.06 -0.02 1.12 -1.32 0.00 0.00 178.16 179.56 2k1q h HIS 57 N 0.13 0.00 0.07 -3.82 2.07 -1.96 -1.86 115.15 109.78 2k1q h HIS 57 Ca -0.02 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.16 2k1q h HIS 57 Cb 1.10 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.04 2k1q h HIS 57 CO 0.11 0.02 -1.90 0.41 -3.07 0.00 0.00 177.93 173.49 2k1q n GLY 58 N -1.19 -0.75 2.62 6.13 0.00 -1.20 -4.75 105.19 106.06 2k1q n GLY 58 Ca -0.03 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 2k1q n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k1q s ALA 59 N -2.57 1.22 1.00 4.61 0.00 -0.51 -4.96 121.76 120.54 2k1q s ALA 59 Ca -0.15 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.17 2k1q s ALA 59 Cb 0.07 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.61 2k1q s ALA 59 CO 0.79 -1.79 0.00 0.41 0.00 0.00 0.00 175.76 175.17 2k1q n GLY 60 N 4.67 -0.98 2.84 0.00 0.00 -0.91 -4.27 105.19 106.55 2k1q n GLY 60 Ca 0.00 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.87 3.85 -4.18 1.61 3.41 -1.26 -4.81 113.62 110.38 2k1q n SER 61 Ca 0.00 -2.56 -0.12 0.00 -0.26 0.00 0.00 58.87 55.93 2k1q n SER 61 Cb 0.00 -1.19 -0.10 0.00 -0.26 0.00 0.00 64.21 62.67 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 4.09 1.23 0.26 4.33 1.02 -1.26 -5.07 119.74 124.32 2k1q s LYS 62 Ca 0.50 -1.58 -0.30 0.00 0.02 0.00 0.00 55.97 54.61 2k1q s LYS 62 Cb 0.13 0.29 -0.09 0.00 -0.52 0.00 0.00 37.83 37.64 2k1q s LYS 62 CO 0.03 -0.41 1.09 0.99 -0.92 0.00 0.00 175.35 176.13 2k1q s THR 63 N -4.14 3.59 -0.13 2.17 2.01 -1.26 -4.61 115.64 113.27 2k1q s THR 63 Ca 0.37 1.56 -0.03 0.00 0.31 0.00 0.00 61.69 63.90 2k1q s THR 63 Cb 0.06 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 2k1q s THR 63 CO 0.11 0.35 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.15 2k1q s LEU 64 N -1.23 3.34 -0.41 4.42 1.98 -1.20 -4.86 118.68 120.72 2k1q s LEU 64 Ca 0.45 -0.05 -0.26 0.00 -2.89 0.00 0.00 54.13 51.38 2k1q s LEU 64 Cb -0.31 -1.79 0.02 0.00 0.66 0.00 0.00 46.19 44.77 2k1q s LEU 64 CO 0.39 0.24 0.96 0.00 -1.89 0.00 0.00 176.35 176.05 2k1q s ALA 65 N -0.07 3.33 0.38 5.97 0.00 -0.35 -1.80 121.76 129.22 2k1q s ALA 65 Ca 0.02 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.48 2k1q s ALA 65 Cb -0.13 -3.61 0.03 0.00 0.00 0.00 0.00 23.12 19.40 2k1q s ALA 65 CO 0.02 -1.80 0.22 0.41 0.00 0.00 0.00 175.76 174.61 2k1q n GLY 66 N 4.57 3.05 0.25 0.00 0.00 0.57 -1.29 105.19 112.35 2k1q n GLY 66 Ca 0.08 -2.27 0.02 0.00 0.00 0.00 0.00 46.02 43.84 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 0.31 -0.01 1.61 0.13 -1.96 -2.37 132.00 129.72 2k1q h PRO 67 Ca -0.25 -0.06 -0.17 0.00 -0.87 0.00 0.00 66.00 64.64 2k1q h PRO 67 Cb 0.89 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.95 2k1q h PRO 67 CO 0.41 0.40 -0.77 -0.22 -0.23 0.00 0.00 178.00 177.59 2k1q h LYS 68 N 0.30 0.08 0.00 0.86 3.64 -1.95 -3.50 116.57 116.01 2k1q h LYS 68 Ca 0.07 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2k1q h LYS 68 Cb 0.32 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2k1q h LYS 68 CO 0.01 0.81 0.00 0.41 -2.27 0.00 0.00 179.45 178.41 2k1q n GLY 69 N 0.65 0.39 3.80 5.01 0.00 -0.89 -5.10 105.19 109.05 2k1q n GLY 69 Ca -0.02 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 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 3.21 -0.01 1.61 0.04 -1.26 -0.31 135.00 136.27 2k1q s PRO 70 Ca 0.00 1.21 0.04 0.00 0.04 0.00 0.00 61.00 62.30 2k1q s PRO 70 Cb 0.00 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 2k1q s PRO 70 CO 0.00 -0.90 -0.14 0.42 0.04 0.00 0.00 177.00 176.42 2k1q s ILE 71 N -2.48 1.08 -0.27 0.56 -1.09 -0.74 -4.85 121.20 113.41 2k1q s ILE 71 Ca 0.64 -0.58 -0.10 0.00 -2.23 0.00 0.00 60.65 58.37 2k1q s ILE 71 Cb -0.17 -0.90 -0.05 0.00 -1.58 0.00 0.00 42.46 39.77 2k1q s ILE 71 CO 0.39 0.31 0.16 -0.89 -1.23 0.00 0.00 174.94 173.68 2k1q s THR 72 N -0.31 5.15 0.25 2.92 2.01 -1.26 -3.22 115.64 121.17 2k1q s THR 72 Ca 0.05 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.87 2k1q s THR 72 Cb -0.05 -3.44 -0.09 0.00 0.01 0.00 0.00 72.50 68.93 2k1q s THR 72 CO -0.01 0.28 1.03 -1.58 -0.69 0.00 0.00 174.62 173.65 2k1q s GLN 73 N 1.61 4.73 -0.10 4.92 0.74 -1.26 -2.99 119.66 127.31 2k1q s GLN 73 Ca 0.07 1.65 0.09 0.00 0.05 0.00 0.00 55.36 57.22 2k1q s GLN 73 Cb -0.15 -3.24 -0.13 0.00 1.10 0.00 0.00 33.01 30.59 2k1q s GLN 73 CO 0.09 0.33 0.04 -1.33 -0.55 0.00 0.00 175.29 173.87 2k1q n MET 74 N 1.45 2.34 -4.78 1.67 2.81 -0.63 -4.92 117.12 115.05 2k1q n MET 74 Ca -0.01 -0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.54 2k1q n MET 74 Cb 0.46 -1.26 -0.13 0.00 -0.71 0.00 0.00 33.22 31.58 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 -2.25 2.80 -0.03 2.03 2.02 -1.18 -4.83 117.35 115.91 2k1q s TYR 75 Ca -0.05 -0.17 -0.01 0.00 -0.37 0.00 0.00 57.07 56.48 2k1q s TYR 75 Cb 0.03 -1.69 0.03 0.00 -0.40 0.00 0.00 41.96 39.93 2k1q s TYR 75 CO 0.42 0.17 0.03 0.95 -1.57 0.00 0.00 175.55 175.55 2k1q s THR 76 N -0.59 -0.01 -0.35 -0.71 -4.23 -1.26 -2.47 115.64 106.02 2k1q s THR 76 Ca 0.08 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 2k1q s THR 76 Cb -0.11 -0.15 0.14 0.00 1.34 0.00 0.00 72.50 73.71 2k1q s THR 76 CO 0.01 0.13 0.24 0.21 -0.54 0.00 0.00 174.62 174.68 2k1q s ASN 77 N 1.39 2.56 0.18 3.99 3.84 -0.44 -4.99 114.94 121.46 2k1q s ASN 77 Ca -0.05 -1.95 -0.10 0.00 0.21 0.00 0.00 52.86 50.97 2k1q s ASN 77 Cb -0.13 -0.15 0.06 0.00 -0.55 0.00 0.00 41.25 40.48 2k1q s ASN 77 CO -0.03 -0.31 1.63 0.58 -2.79 0.00 0.00 177.10 176.18 2k1q h VAL 78 N 5.15 1.27 -0.49 -5.21 2.07 -1.96 0.81 116.25 117.89 2k1q h VAL 78 Ca 0.04 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 2k1q h VAL 78 Cb 0.99 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 2k1q h VAL 78 CO 0.26 0.42 0.30 0.44 0.02 0.00 0.00 177.57 179.01 2k1q h ASP 79 N 0.94 0.57 -0.01 0.57 3.32 -1.95 -2.07 116.42 117.79 2k1q h ASP 79 Ca 0.17 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2k1q h ASP 79 Cb 0.56 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2k1q h ASP 79 CO 0.03 0.45 -0.00 1.67 -1.72 0.00 0.00 179.24 179.67 2k1q n GLN 80 N -4.72 1.52 -3.86 3.56 -0.06 -1.16 -4.93 117.38 107.73 2k1q n GLN 80 Ca 0.02 -0.75 -0.28 0.00 -2.00 0.00 0.00 57.00 53.99 2k1q n GLN 80 Cb 0.04 -1.48 0.03 0.00 -4.06 0.00 0.00 30.24 24.77 2k1q n GLN 80 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 2k1q n ASP 81 N -0.09 -3.88 -3.94 1.69 2.03 0.20 -4.89 116.55 107.67 2k1q n ASP 81 Ca 0.20 -0.79 -0.10 0.00 0.52 0.00 0.00 54.79 54.62 2k1q n ASP 81 Cb 0.30 -3.94 -0.11 0.00 -0.72 0.00 0.00 41.12 36.64 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 -7.13 2.05 0.33 -2.67 1.43 -0.70 -0.60 118.68 111.39 2k1q s LEU 82 Ca 0.49 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 53.22 2k1q s LEU 82 Cb -0.24 0.19 0.00 0.00 0.03 0.00 0.00 46.19 46.17 2k1q s LEU 82 CO 0.82 -0.24 0.47 0.68 0.23 0.00 0.00 176.35 178.31 2k1q s VAL 83 N -1.11 0.00 0.11 -1.59 -7.23 -1.09 -1.33 120.40 108.16 2k1q s VAL 83 Ca -0.12 -1.58 -0.20 0.00 -1.81 0.00 0.00 61.98 58.26 2k1q s VAL 83 Cb -0.07 -2.59 0.05 0.00 0.56 0.00 0.00 36.38 34.33 2k1q s VAL 83 CO -0.00 0.00 0.49 -0.83 -0.31 0.00 0.00 175.10 174.45 2k1q s GLY 84 N -3.21 -0.42 0.29 2.32 0.00 -1.03 -2.83 107.32 102.44 2k1q s GLY 84 Ca 0.30 0.31 0.11 0.00 0.00 0.00 0.00 44.72 45.44 2k1q s GLY 84 CO 0.18 0.02 -0.18 -0.98 0.00 0.00 0.00 173.10 172.14 2k1q s TRP 85 N -3.34 2.27 -0.42 1.90 0.51 -1.14 -1.61 118.94 117.12 2k1q s TRP 85 Ca -0.00 -0.37 -0.29 0.00 -2.12 0.00 0.00 56.10 53.32 2k1q s TRP 85 Cb 0.00 -1.04 0.01 0.00 -0.81 0.00 0.00 33.47 31.63 2k1q s TRP 85 CO -0.09 0.68 1.40 -1.14 -0.51 0.00 0.00 176.95 177.29 2k1q s GLN 86 N -3.53 3.57 0.70 4.98 0.74 -1.16 -2.34 119.66 122.61 2k1q s GLN 86 Ca 0.30 0.91 -0.15 0.00 0.05 0.00 0.00 55.36 56.47 2k1q s GLN 86 Cb -0.04 -4.02 0.02 0.00 1.10 0.00 0.00 33.01 30.07 2k1q s GLN 86 CO 0.15 -1.57 1.18 0.00 -0.55 0.00 0.00 175.29 174.49 2k1q s ALA 87 N 5.42 2.26 0.76 1.58 0.00 -1.20 -4.91 121.76 125.67 2k1q s ALA 87 Ca 0.61 0.79 -0.11 0.00 0.00 0.00 0.00 51.96 53.25 2k1q s ALA 87 Cb -0.13 -3.42 0.05 0.00 0.00 0.00 0.00 23.12 19.62 2k1q s ALA 87 CO 0.33 -1.63 1.09 -1.25 0.00 0.00 0.00 175.76 174.30 2k1q s PRO 88 N -3.90 2.33 0.39 0.00 0.04 -1.26 -4.95 135.00 127.64 2k1q s PRO 88 Ca 0.72 1.17 -0.27 0.00 0.04 0.00 0.00 61.00 62.67 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 0.43 -1.59 1.33 -1.25 0.04 0.00 0.00 177.00 175.96 2k1q s PRO 89 N -4.86 4.06 -0.94 0.56 0.04 -1.26 -2.43 135.00 130.17 2k1q s PRO 89 Ca 0.61 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.89 2k1q s PRO 89 Cb -0.17 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.52 2k1q s PRO 89 CO 0.55 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.55 2k1q n GLY 90 N 0.67 0.25 3.84 0.56 0.00 -1.26 -4.97 105.19 104.28 2k1q n GLY 90 Ca 0.03 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.48 3.20 0.09 4.61 0.00 -1.02 -4.99 121.76 121.16 2k1q s ALA 91 Ca 0.00 0.20 -0.21 0.00 0.00 0.00 0.00 51.96 51.95 2k1q s ALA 91 Cb 0.00 -2.94 -0.07 0.00 0.00 0.00 0.00 23.12 20.11 2k1q s ALA 91 CO 0.00 0.24 0.63 0.50 0.00 0.00 0.00 175.76 177.13 2k1q s ARG 92 N -3.05 4.32 0.29 0.00 6.06 -1.26 -4.87 118.95 120.44 2k1q s ARG 92 Ca 0.57 0.86 0.04 0.00 -2.50 0.00 0.00 55.73 54.70 2k1q s ARG 92 Cb -0.10 -3.26 -0.06 0.00 0.06 0.00 0.00 34.95 31.59 2k1q s ARG 92 CO 0.16 0.58 0.03 -1.54 -2.50 0.00 0.00 175.30 172.03 2k1q s SER 93 N -0.98 2.20 -0.13 -2.12 1.04 -1.26 -4.38 113.70 108.08 2k1q s SER 93 Ca 0.31 -1.32 -0.01 0.00 0.48 0.00 0.00 55.95 55.41 2k1q s SER 93 Cb -0.20 -0.05 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 2k1q s SER 93 CO 0.21 -0.56 -0.09 -0.76 0.98 0.00 0.00 173.24 173.02 2k1q s LEU 94 N -3.43 2.99 0.70 2.42 1.43 -0.89 -4.90 118.68 116.99 2k1q s LEU 94 Ca 0.34 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 2k1q s LEU 94 Cb 0.07 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.62 2k1q s LEU 94 CO 0.13 0.21 1.06 0.42 0.23 0.00 0.00 176.35 178.40 2k1q s THR 95 N 0.13 4.00 0.82 5.49 -4.23 -1.26 -4.31 115.64 116.27 2k1q s THR 95 Ca -0.04 0.65 -0.11 0.00 -1.18 0.00 0.00 61.69 61.02 2k1q s THR 95 Cb -0.14 -3.38 0.09 0.00 1.34 0.00 0.00 72.50 70.40 2k1q s THR 95 CO 0.04 -0.85 1.10 -2.16 -0.54 0.00 0.00 174.62 172.21 2k1q s PRO 96 N -5.03 1.85 0.20 3.99 0.04 -1.26 0.11 135.00 134.90 2k1q s PRO 96 Ca 0.58 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 2k1q s PRO 96 Cb -0.14 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 2k1q s PRO 96 CO 0.55 -1.92 1.28 0.00 0.04 0.00 0.00 177.00 176.95 2k1q n THR 98 N 2.54 1.07 -0.38 0.00 -2.24 -1.26 -4.83 114.28 109.17 2k1q n THR 98 Ca 0.05 -3.74 0.00 0.00 -2.27 0.00 0.00 64.05 58.10 2k1q n THR 98 Cb 0.43 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 2k1q n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k1q n GLY 100 N 0.00 -0.51 3.59 0.00 0.00 -1.26 -4.96 105.19 102.05 2k1q n GLY 100 Ca 0.00 0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 2k1q n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k1q s SER 101 N -3.56 6.02 0.22 1.61 0.01 -1.26 -4.97 113.70 111.77 2k1q s SER 101 Ca 0.46 -0.01 -0.07 0.00 1.31 0.00 0.00 55.95 57.63 2k1q s SER 101 Cb -0.20 -2.12 0.17 0.00 0.21 0.00 0.00 66.02 64.08 2k1q s SER 101 CO 0.73 -0.05 1.80 0.28 0.41 0.00 0.00 173.24 176.41 2k1q h SER 102 N 8.36 1.11 -3.63 2.44 0.02 -1.93 -3.43 113.55 116.49 2k1q h SER 102 Ca -0.35 -0.16 -0.54 0.00 -0.84 0.00 0.00 61.79 59.91 2k1q h SER 102 Cb 1.19 -0.29 0.10 0.00 0.14 0.00 0.00 62.40 63.54 2k1q h SER 102 CO 0.55 0.96 0.85 0.47 -1.14 0.00 0.00 176.83 178.52 2k1q n ASP 103 N -4.29 3.90 -3.93 3.07 8.00 -1.26 0.17 116.55 122.20 2k1q n ASP 103 Ca 0.08 1.19 -0.13 0.00 0.71 0.00 0.00 54.79 56.64 2k1q n ASP 103 Cb 0.17 -1.62 -0.13 0.00 -0.02 0.00 0.00 41.12 39.51 2k1q n ASP 103 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2k1q s LEU 104 N -1.31 2.07 -0.24 0.64 1.43 0.66 -4.52 118.68 117.41 2k1q s LEU 104 Ca 0.58 -0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 53.44 2k1q s LEU 104 Cb -0.48 -0.07 -0.03 0.00 0.03 0.00 0.00 46.19 45.64 2k1q s LEU 104 CO 0.56 -0.06 0.05 -0.31 0.23 0.00 0.00 176.35 176.83 2k1q s TYR 105 N -0.44 3.07 0.00 0.29 2.02 -0.55 -0.76 117.35 120.98 2k1q s TYR 105 Ca -0.03 -0.47 -0.01 0.00 -0.37 0.00 0.00 57.07 56.18 2k1q s TYR 105 Cb -0.03 -2.21 -0.04 0.00 -0.40 0.00 0.00 41.96 39.27 2k1q s TYR 105 CO -0.00 -0.37 0.13 -1.17 -1.57 0.00 0.00 175.55 172.57 2k1q s LEU 106 N 1.55 4.09 -0.17 -1.29 2.96 -1.18 -0.57 118.68 124.07 2k1q s LEU 106 Ca 0.06 0.22 -0.06 0.00 -0.22 0.00 0.00 54.13 54.13 2k1q s LEU 106 Cb -0.15 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 2k1q s LEU 106 CO 0.03 0.26 0.03 -0.69 -1.32 0.00 0.00 176.35 174.66 2k1q s VAL 107 N -1.27 4.52 0.52 1.68 1.01 -1.22 -3.40 120.40 122.23 2k1q s VAL 107 Ca 0.25 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.17 2k1q s VAL 107 Cb -0.12 -3.02 0.05 0.00 0.00 0.00 0.00 36.38 33.29 2k1q s VAL 107 CO 0.17 0.47 0.71 0.42 0.00 0.00 0.00 175.10 176.87 2k1q s THR 108 N 0.35 2.59 0.20 3.92 -4.23 0.02 -4.41 115.64 114.08 2k1q s THR 108 Ca 0.01 -0.91 0.24 0.00 -1.18 0.00 0.00 61.69 59.85 2k1q s THR 108 Cb -0.13 -2.67 0.24 0.00 1.34 0.00 0.00 72.50 71.28 2k1q s THR 108 CO 0.01 0.00 1.88 -0.09 -0.54 0.00 0.00 174.62 175.88 2k1q h ARG 109 N 0.29 0.00 -0.98 3.99 2.43 -1.89 -2.91 114.38 115.31 2k1q h ARG 109 Ca -0.37 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.47 2k1q h ARG 109 Cb 1.28 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 30.63 2k1q h ARG 109 CO 0.44 0.21 0.43 0.72 -1.51 0.00 0.00 179.97 180.26 2k1q n HIS 110 N -3.45 2.11 -3.82 2.20 8.25 -1.26 -4.87 115.22 114.38 2k1q n HIS 110 Ca -0.00 -1.38 -0.28 0.00 -0.26 0.00 0.00 57.72 55.80 2k1q n HIS 110 Cb 0.39 -0.72 0.04 0.00 1.12 0.00 0.00 29.99 30.83 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 -0.58 -1.29 -2.46 -1.41 0.00 -1.10 -4.98 120.51 108.69 2k1q n ALA 111 Ca 0.40 0.27 -0.31 0.00 0.00 0.00 0.00 53.44 53.81 2k1q n ALA 111 Cb 1.30 -4.85 -0.12 0.00 0.00 0.00 0.00 19.45 15.77 2k1q n ALA 111 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k1q s ASP 112 N -3.31 3.83 -0.04 0.00 -1.08 -1.26 -4.92 116.67 109.89 2k1q s ASP 112 Ca 0.65 -0.44 0.03 0.00 -0.52 0.00 0.00 52.55 52.26 2k1q s ASP 112 Cb -0.31 -0.61 0.01 0.00 -1.46 0.00 0.00 42.92 40.55 2k1q s ASP 112 CO 0.80 0.24 -0.11 0.54 0.52 0.00 0.00 175.17 177.16 2k1q s VAL 113 N -0.96 1.01 0.10 1.11 0.11 -1.26 -0.80 120.40 119.71 2k1q s VAL 113 Ca 0.15 -0.46 0.08 0.00 -2.93 0.00 0.00 61.98 58.83 2k1q s VAL 113 Cb -0.11 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2k1q s VAL 113 CO 0.06 0.31 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.30 2k1q s ILE 114 N 0.35 1.73 -0.17 7.04 1.01 -1.22 -4.96 121.20 124.98 2k1q s ILE 114 Ca -0.07 -1.56 -0.28 0.00 0.00 0.00 0.00 60.65 58.74 2k1q s ILE 114 Cb -0.12 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 2k1q s ILE 114 CO 0.02 -0.06 0.96 -2.16 0.00 0.00 0.00 174.94 173.70 2k1q s PRO 115 N -1.92 4.33 -0.15 2.79 0.04 -1.26 -3.12 135.00 135.71 2k1q s PRO 115 Ca 0.07 1.26 0.02 0.00 0.04 0.00 0.00 61.00 62.39 2k1q s PRO 115 Cb -0.10 -3.59 0.01 0.00 0.04 0.00 0.00 34.50 30.87 2k1q s PRO 115 CO 0.04 -0.42 -0.22 0.08 0.04 0.00 0.00 177.00 176.52 2k1q s VAL 116 N 2.44 2.07 -0.01 -0.36 1.01 0.06 -4.02 120.40 121.60 2k1q s VAL 116 Ca 0.44 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 61.17 2k1q s VAL 116 Cb -0.17 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 2k1q s VAL 116 CO 0.12 0.55 0.89 -0.60 0.00 0.00 0.00 175.10 176.07 2k1q s ARG 117 N 0.88 4.54 -0.01 2.72 6.06 -0.81 -0.25 118.95 132.07 2k1q s ARG 117 Ca -0.05 1.26 -0.30 0.00 -2.50 0.00 0.00 55.73 54.14 2k1q s ARG 117 Cb -0.15 -3.44 -0.03 0.00 0.06 0.00 0.00 34.95 31.38 2k1q s ARG 117 CO -0.03 0.02 1.09 0.50 -2.50 0.00 0.00 175.30 174.37 2k1q s ARG 118 N 0.82 4.46 -0.16 5.12 3.52 0.13 -0.21 118.95 132.62 2k1q s ARG 118 Ca 0.47 1.56 0.16 0.00 -0.13 0.00 0.00 55.73 57.80 2k1q s ARG 118 Cb -0.20 -3.46 0.34 0.00 -1.56 0.00 0.00 34.95 30.07 2k1q s ARG 118 CO 0.25 -0.23 1.19 0.54 -0.81 0.00 0.00 175.30 176.24 2k1q n ARG 119 N 4.37 1.45 0.00 5.12 5.12 0.10 -4.88 116.66 127.94 2k1q n ARG 119 Ca 0.08 -2.81 0.00 0.00 -1.93 0.00 0.00 57.85 53.19 2k1q n ARG 119 Cb 0.48 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 30.23 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 -1.30 -0.24 0.35 -0.13 0.00 -0.87 -4.78 105.19 98.22 2k1q n GLY 120 Ca 0.17 -1.16 -0.03 0.00 0.00 0.00 0.00 46.02 45.01 2k1q n GLY 120 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k1q h ASP 121 N 0.00 1.06 0.00 1.61 3.58 -1.97 -3.21 116.42 117.49 2k1q h ASP 121 Ca 0.00 -0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.35 2k1q h ASP 121 Cb 0.00 -0.27 -0.14 0.00 1.72 0.00 0.00 39.33 40.64 2k1q h ASP 121 CO 0.00 0.78 -0.63 -1.54 -2.88 0.00 0.00 179.24 174.96 2k1q n SER 122 N -4.43 1.31 -4.09 2.28 3.41 -1.26 -4.36 113.62 106.48 2k1q n SER 122 Ca 0.10 -2.85 -0.23 0.00 -0.26 0.00 0.00 58.87 55.63 2k1q n SER 122 Cb 0.02 -0.39 -0.16 0.00 -0.26 0.00 0.00 64.21 63.42 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 -1.57 1.32 0.15 4.33 6.06 -1.22 -1.80 118.95 126.22 2k1q s ARG 123 Ca 0.31 -0.48 -0.02 0.00 -2.50 0.00 0.00 55.73 53.03 2k1q s ARG 123 Cb 0.32 -1.20 -0.04 0.00 0.06 0.00 0.00 34.95 34.09 2k1q s ARG 123 CO -0.08 0.23 0.11 0.20 -2.50 0.00 0.00 175.30 173.25 2k1q s GLY 124 N -0.04 1.03 0.06 8.12 0.00 -0.77 0.01 107.32 115.72 2k1q s GLY 124 Ca -0.00 -1.44 0.07 0.00 0.00 0.00 0.00 44.72 43.35 2k1q s GLY 124 CO 0.01 -1.29 -0.21 -1.35 0.00 0.00 0.00 173.10 170.26 2k1q s SER 125 N -3.06 2.47 -0.22 1.64 1.04 0.70 -2.14 113.70 114.12 2k1q s SER 125 Ca 0.27 -0.56 -0.13 0.00 0.48 0.00 0.00 55.95 56.01 2k1q s SER 125 Cb 0.07 -0.19 -0.05 0.00 0.10 0.00 0.00 66.02 65.96 2k1q s SER 125 CO 0.04 0.13 0.25 -0.76 0.98 0.00 0.00 173.24 173.89 2k1q s LEU 126 N -1.36 4.13 0.18 2.42 1.02 0.11 -1.93 118.68 123.24 2k1q s LEU 126 Ca 0.07 0.28 -0.09 0.00 0.02 0.00 0.00 54.13 54.40 2k1q s LEU 126 Cb -0.09 -2.27 0.05 0.00 0.02 0.00 0.00 46.19 43.90 2k1q s LEU 126 CO 0.02 0.01 1.62 -0.07 0.02 0.00 0.00 176.35 177.95 2k1q h LEU 127 N 7.54 1.06 -8.40 1.79 4.07 -1.87 -3.40 115.31 116.10 2k1q h LEU 127 Ca -0.37 -0.33 -0.68 0.00 0.08 0.00 0.00 57.88 56.58 2k1q h LEU 127 Cb 1.17 -0.29 -0.26 0.00 1.08 0.00 0.00 40.66 42.36 2k1q h LEU 127 CO 0.68 1.13 -0.60 -0.44 -1.08 0.00 0.00 178.44 178.13 2k1q s SER 128 N -6.61 5.24 0.05 -0.43 0.01 -1.26 -5.06 113.70 105.64 2k1q s SER 128 Ca -0.12 -0.73 -0.31 0.00 1.31 0.00 0.00 55.95 56.11 2k1q s SER 128 Cb 0.13 -1.91 -0.08 0.00 0.21 0.00 0.00 66.02 64.38 2k1q s SER 128 CO 0.86 -0.21 1.64 -2.16 0.41 0.00 0.00 173.24 173.78 2k1q s PRO 129 N 1.51 4.20 0.28 12.44 0.04 -1.26 -4.99 135.00 147.22 2k1q s PRO 129 Ca 0.03 2.30 0.12 0.00 0.04 0.00 0.00 61.00 63.48 2k1q s PRO 129 Cb -0.17 -3.65 -0.05 0.00 0.04 0.00 0.00 34.50 30.67 2k1q s PRO 129 CO 0.03 -0.74 -0.19 1.03 0.04 0.00 0.00 177.00 177.17 2k1q s ARG 130 N 2.79 1.66 0.76 4.56 1.81 -1.22 -4.91 118.95 124.40 2k1q s ARG 130 Ca 0.73 -1.76 -0.13 0.00 -1.72 0.00 0.00 55.73 52.85 2k1q s ARG 130 Cb -0.39 -1.72 0.05 0.00 -0.45 0.00 0.00 34.95 32.45 2k1q s ARG 130 CO 0.32 0.32 1.15 -1.25 -0.68 0.00 0.00 175.30 175.15 2k1q s PRO 131 N -3.52 2.10 0.38 3.54 0.04 -1.26 -0.76 135.00 135.52 2k1q s PRO 131 Ca 0.29 1.51 0.13 0.00 0.04 0.00 0.00 61.00 62.97 2k1q s PRO 131 Cb -0.05 -1.85 0.77 0.00 0.04 0.00 0.00 34.50 33.41 2k1q s PRO 131 CO 0.14 -1.81 1.85 0.28 0.04 0.00 0.00 177.00 177.51 2k1q h VAL 132 N -0.69 1.24 -1.01 -0.36 2.07 -1.51 -2.87 116.25 113.13 2k1q h VAL 132 Ca -0.46 -1.17 0.01 0.00 0.82 0.00 0.00 66.70 65.91 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 0.49 0.33 0.67 0.28 0.02 0.00 0.00 177.57 179.36 2k1q h SER 133 N 0.00 1.15 -0.90 0.57 0.02 -1.91 -1.87 113.55 110.62 2k1q h SER 133 Ca -0.00 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2k1q h SER 133 Cb 0.60 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 2k1q h SER 133 CO 0.04 0.83 0.48 0.22 -1.14 0.00 0.00 176.83 177.27 2k1q h TYR 134 N 1.36 1.25 -0.02 3.45 3.20 -1.88 -2.27 116.97 122.06 2k1q h TYR 134 Ca 0.37 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 62.10 2k1q h TYR 134 Cb -0.15 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 37.71 2k1q h TYR 134 CO -0.00 0.87 -0.46 -0.07 -1.64 0.00 0.00 178.16 176.86 2k1q h LEU 135 N 1.26 0.04 -9.96 2.82 -0.00 -1.45 -3.44 115.31 104.59 2k1q h LEU 135 Ca 0.31 -0.02 -0.54 0.00 -0.00 0.00 0.00 57.88 57.63 2k1q h LEU 135 Cb 0.05 -0.01 0.11 0.00 -0.00 0.00 0.00 40.66 40.81 2k1q h LEU 135 CO -0.05 0.49 0.78 -0.54 -0.00 0.00 0.00 178.44 179.13 2k1q s LYS 136 N -4.00 4.03 0.00 1.13 -0.14 -0.76 -1.97 119.74 118.02 2k1q s LYS 136 Ca -0.03 2.58 0.00 0.00 -1.36 0.00 0.00 55.97 57.16 2k1q s LYS 136 Cb 0.14 -2.92 0.00 0.00 -1.68 0.00 0.00 37.83 33.37 2k1q s LYS 136 CO 0.75 -0.60 0.00 0.41 -0.76 0.00 0.00 175.35 175.14 2k1q n GLY 137 N 0.45 0.44 0.36 -3.33 0.00 -1.26 -4.90 105.19 96.95 2k1q n GLY 137 Ca 0.02 -0.51 0.03 0.00 0.00 0.00 0.00 46.02 45.55 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 0.93 2.53 -4.78 1.61 7.64 -0.83 -4.33 113.62 116.39 2k1q n SER 138 Ca 0.00 -2.01 -0.41 0.00 1.01 0.00 0.00 58.87 57.47 2k1q n SER 138 Cb 0.00 -0.13 -0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2k1q n SER 138 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k1q s SER 139 N -1.01 6.42 0.00 6.43 0.01 -1.26 -2.30 113.70 121.98 2k1q s SER 139 Ca 0.13 2.95 0.00 0.00 1.31 0.00 0.00 55.95 60.35 2k1q s SER 139 Cb 0.07 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2k1q s SER 139 CO 0.09 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.54 2k1q n GLY 140 N 0.54 2.86 3.61 3.44 0.00 -1.19 -0.91 105.19 113.54 2k1q n GLY 140 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 2k1q n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1q n GLY 141 N -2.00 1.24 3.81 -0.02 0.00 -0.97 -3.89 105.19 103.35 2k1q n GLY 141 Ca 0.00 0.82 -0.33 0.00 0.00 0.00 0.00 46.02 46.50 2k1q n GLY 141 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k1q s PRO 142 N 5.61 4.09 -0.41 1.61 0.04 -1.26 -1.33 135.00 143.35 2k1q s PRO 142 Ca 0.98 1.18 -0.14 0.00 0.04 0.00 0.00 61.00 63.06 2k1q s PRO 142 Cb -0.46 -2.15 0.03 0.00 0.04 0.00 0.00 34.50 31.96 2k1q s PRO 142 CO 0.40 -0.16 0.29 -0.51 0.04 0.00 0.00 177.00 177.06 2k1q s LEU 143 N -3.31 5.09 -0.20 -3.56 1.02 0.03 -3.42 118.68 114.33 2k1q s LEU 143 Ca 0.63 -1.02 -0.10 0.00 0.02 0.00 0.00 54.13 53.67 2k1q s LEU 143 Cb -0.11 -2.12 -0.05 0.00 0.02 0.00 0.00 46.19 43.93 2k1q s LEU 143 CO 0.16 -0.47 0.13 -0.76 0.02 0.00 0.00 176.35 175.43 2k1q s LEU 144 N 1.63 4.21 0.74 1.79 1.02 0.26 0.33 118.68 128.66 2k1q s LEU 144 Ca 0.04 0.23 -0.12 0.00 0.02 0.00 0.00 54.13 54.30 2k1q s LEU 144 Cb -0.20 -2.09 0.04 0.00 0.02 0.00 0.00 46.19 43.96 2k1q s LEU 144 CO 0.08 0.18 1.10 0.00 0.02 0.00 0.00 176.35 177.73 2k1q h PRO 146 N -0.80 0.00 -0.36 0.00 0.13 -1.91 -0.55 132.00 128.51 2k1q h PRO 146 Ca -0.44 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 2k1q h PRO 146 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2k1q h PRO 146 CO 0.52 0.00 -0.20 0.66 -0.23 0.00 0.00 178.00 178.75 2k1q h SER 147 N 0.00 0.68 0.00 1.44 4.64 -1.97 -3.47 113.55 114.88 2k1q h SER 147 Ca 0.03 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2k1q h SER 147 Cb 0.67 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2k1q h SER 147 CO -0.00 0.88 0.00 0.61 -0.87 0.00 0.00 176.83 177.45 2k1q n GLY 148 N -0.34 1.53 3.12 -0.77 0.00 -0.21 -5.15 105.19 103.37 2k1q n GLY 148 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 1.05 0.45 1.61 3.76 -1.25 -4.75 115.29 114.16 2k1q s HIS 149 Ca 0.00 -0.38 -0.23 0.00 -0.15 0.00 0.00 55.06 54.30 2k1q s HIS 149 Cb 0.00 -0.62 -0.08 0.00 1.11 0.00 0.00 32.58 32.99 2k1q s HIS 149 CO 0.00 0.01 1.15 0.00 -0.85 0.00 0.00 174.74 175.05 2k1q s ALA 150 N -0.96 2.98 -0.03 -1.40 0.00 0.12 -1.46 121.76 121.01 2k1q s ALA 150 Ca -0.01 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2k1q s ALA 150 Cb -0.08 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 2k1q s ALA 150 CO 0.01 -0.60 -0.03 0.28 0.00 0.00 0.00 175.76 175.43 2k1q n VAL 151 N -0.46 0.17 -3.50 0.00 0.31 0.15 0.21 118.33 115.22 2k1q n VAL 151 Ca 0.07 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2k1q n VAL 151 Cb 0.48 -0.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 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 3.35 1.08 3.02 2.92 0.00 -1.23 -1.05 105.19 113.27 2k1q n GLY 152 Ca -0.05 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.39 0.70 0.36 -0.61 1.01 -0.87 -0.79 121.20 118.61 2k1q s ILE 153 Ca 0.00 -0.38 -0.28 0.00 0.00 0.00 0.00 60.65 59.99 2k1q s ILE 153 Cb 0.00 -0.59 -0.11 0.00 0.01 0.00 0.00 42.46 41.77 2k1q s ILE 153 CO 0.00 0.20 1.52 0.33 0.00 0.00 0.00 174.94 176.99 2k1q n PHE 154 N 2.86 3.01 0.01 3.97 7.35 -0.44 -2.10 117.46 132.12 2k1q n PHE 154 Ca -0.13 0.40 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 2k1q n PHE 154 Cb 0.57 -2.55 0.00 0.00 0.35 0.00 0.00 39.48 37.85 2k1q n PHE 154 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2k1q n ARG 155 N 0.78 0.00 -3.87 -4.13 0.63 -0.47 -3.16 116.66 106.44 2k1q n ARG 155 Ca 0.02 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.87 2k1q n ARG 155 Cb 0.39 -0.42 -0.07 0.00 0.45 0.00 0.00 32.46 32.80 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 -2.00 -0.20 0.04 5.13 0.00 -1.17 -4.96 121.76 118.60 2k1q s ALA 156 Ca 0.00 -0.65 0.08 0.00 0.00 0.00 0.00 51.96 51.39 2k1q s ALA 156 Cb 0.00 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 2k1q s ALA 156 CO 0.00 -0.52 -0.20 0.00 0.00 0.00 0.00 175.76 175.04 2k1q s ALA 157 N -3.87 2.49 -0.23 0.00 0.00 -1.26 -1.85 121.76 117.05 2k1q s ALA 157 Ca 0.06 -1.20 -0.05 0.00 0.00 0.00 0.00 51.96 50.77 2k1q s ALA 157 Cb 0.05 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 2k1q s ALA 157 CO -0.10 0.56 -0.01 0.08 0.00 0.00 0.00 175.76 176.29 2k1q s VAL 158 N -0.87 3.68 0.04 0.00 1.01 -0.14 -4.99 120.40 119.12 2k1q s VAL 158 Ca 0.13 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.77 2k1q s VAL 158 Cb -0.10 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 2k1q s VAL 158 CO 0.04 0.40 -0.14 0.00 0.00 0.00 0.00 175.10 175.40 2k1q h THR 160 N 4.51 1.39 0.00 0.00 2.02 -1.84 -3.43 112.91 115.56 2k1q h THR 160 Ca -0.38 -1.21 -0.20 0.00 0.77 0.00 0.00 66.41 65.39 2k1q h THR 160 Cb 1.18 2.14 -0.14 0.00 -1.74 0.00 0.00 68.15 69.60 2k1q h THR 160 CO 0.44 0.32 -0.26 -2.11 0.37 0.00 0.00 175.52 174.28 2k1q n ARG 161 N -4.78 0.91 0.00 6.66 1.85 -1.26 -4.93 116.66 115.10 2k1q n ARG 161 Ca -0.08 -1.60 0.00 0.00 -1.00 0.00 0.00 57.85 55.17 2k1q n ARG 161 Cb 0.28 -0.34 0.00 0.00 -1.05 0.00 0.00 32.46 31.35 2k1q n ARG 161 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2k1q n GLY 162 N -0.21 2.16 3.33 2.89 0.00 -1.26 -5.08 105.19 107.02 2k1q n GLY 162 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.15 3.04 -0.18 1.61 1.01 -1.26 -1.19 120.40 121.27 2k1q s VAL 163 Ca 0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 2k1q s VAL 163 Cb 0.00 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2k1q s VAL 163 CO 0.00 0.50 0.38 0.00 0.00 0.00 0.00 175.10 175.98 2k1q s ALA 164 N 0.75 3.55 -0.08 5.51 0.00 0.06 -2.15 121.76 129.39 2k1q s ALA 164 Ca -0.05 -0.47 0.08 0.00 0.00 0.00 0.00 51.96 51.52 2k1q s ALA 164 Cb -0.15 -2.58 -0.12 0.00 0.00 0.00 0.00 23.12 20.27 2k1q s ALA 164 CO 0.01 -0.17 0.22 1.63 0.00 0.00 0.00 175.76 177.45 2k1q n LYS 165 N 4.17 1.02 -3.78 0.00 5.02 -0.95 -3.39 118.16 120.24 2k1q n LYS 165 Ca -0.09 -0.06 -0.10 0.00 -2.02 0.00 0.00 58.31 56.04 2k1q n LYS 165 Cb 0.51 -1.14 -0.07 0.00 -0.02 0.00 0.00 35.03 34.32 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 -2.43 -0.48 0.15 7.82 0.00 -1.23 0.03 121.76 125.63 2k1q s ALA 166 Ca -0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 2k1q s ALA 166 Cb 0.06 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 2k1q s ALA 166 CO 0.35 -0.53 0.08 0.14 0.00 0.00 0.00 175.76 175.80 2k1q s VAL 167 N -3.63 0.07 -0.05 0.00 -7.23 -0.91 -0.97 120.40 107.69 2k1q s VAL 167 Ca 0.03 -1.94 0.07 0.00 -1.81 0.00 0.00 61.98 58.32 2k1q s VAL 167 Cb 0.03 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 2k1q s VAL 167 CO -0.10 -0.31 -0.25 -1.81 -0.31 0.00 0.00 175.10 172.31 2k1q s ASP 168 N -3.08 3.07 0.05 4.85 1.01 -0.77 -1.86 116.67 119.94 2k1q s ASP 168 Ca 0.29 -0.50 0.01 0.00 0.71 0.00 0.00 52.55 53.06 2k1q s ASP 168 Cb 0.07 -0.69 -0.03 0.00 1.01 0.00 0.00 42.92 43.28 2k1q s ASP 168 CO 0.05 0.27 -0.05 0.72 0.21 0.00 0.00 175.17 176.37 2k1q s PHE 169 N -0.30 0.59 -0.21 4.23 -0.12 -0.75 -1.37 117.98 120.05 2k1q s PHE 169 Ca 0.01 -0.79 -0.17 0.00 -0.05 0.00 0.00 56.93 55.92 2k1q s PHE 169 Cb -0.13 -0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 41.85 2k1q s PHE 169 CO 0.02 -0.21 0.47 0.08 -0.05 0.00 0.00 175.22 175.53 2k1q s VAL 170 N -2.76 5.14 0.67 -2.49 1.01 -0.89 -4.29 120.40 116.78 2k1q s VAL 170 Ca -0.00 0.84 -0.16 0.00 0.00 0.00 0.00 61.98 62.66 2k1q s VAL 170 Cb -0.00 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2k1q s VAL 170 CO -0.04 0.19 1.15 -2.16 0.00 0.00 0.00 175.10 174.23 2k1q s PRO 171 N 1.62 2.65 0.62 2.72 0.04 -1.26 -2.06 135.00 139.33 2k1q s PRO 171 Ca 0.21 1.55 0.35 0.00 0.04 0.00 0.00 61.00 63.15 2k1q s PRO 171 Cb -0.15 -1.92 2.03 0.00 0.04 0.00 0.00 34.50 34.50 2k1q s PRO 171 CO 0.09 -1.40 2.30 0.28 0.04 0.00 0.00 177.00 178.31 2k1q h VAL 172 N 0.08 0.35 -0.87 -0.36 2.07 -1.44 -2.32 116.25 113.76 2k1q h VAL 172 Ca -0.48 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.09 2k1q h VAL 172 Cb 1.27 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 2k1q h VAL 172 CO 0.53 0.00 0.57 -0.08 0.02 0.00 0.00 177.57 178.61 2k1q h GLU 173 N 0.00 1.01 -0.72 1.57 4.81 -1.90 -1.74 114.58 117.62 2k1q h GLU 173 Ca 0.00 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2k1q h GLU 173 Cb 0.01 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.13 2k1q h GLU 173 CO -0.00 0.67 0.47 0.66 -0.73 0.00 0.00 179.01 180.08 2k1q h SER 174 N 1.04 0.82 -1.00 1.04 4.64 -1.78 -2.23 113.55 116.08 2k1q h SER 174 Ca 0.36 -0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.67 2k1q h SER 174 Cb 0.11 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 61.94 2k1q h SER 174 CO -0.12 0.60 0.66 0.24 -0.87 0.00 0.00 176.83 177.33 2k1q h MET 175 N 0.97 1.32 -0.87 4.77 2.86 -1.46 -1.10 114.93 121.42 2k1q h MET 175 Ca 0.26 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.82 2k1q h MET 175 Cb -0.11 -0.30 -0.04 0.00 0.06 0.00 0.00 31.60 31.21 2k1q h MET 175 CO -0.06 0.88 0.57 0.93 1.06 0.00 0.00 176.91 180.30 2k1q h GLU 176 N 1.36 1.16 -0.19 1.72 5.08 -1.37 0.37 114.58 122.71 2k1q h GLU 176 Ca 0.37 -0.08 -0.22 0.00 -1.00 0.00 0.00 59.36 58.43 2k1q h GLU 176 Cb -0.14 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 28.86 2k1q h GLU 176 CO -0.08 0.77 -0.72 1.79 -1.00 0.00 0.00 179.01 179.77 2k1q h THR 177 N 1.19 1.27 -0.21 1.13 1.35 -1.38 -2.57 112.91 113.69 2k1q h THR 177 Ca 0.32 -1.91 -0.09 0.00 -0.55 0.00 0.00 66.41 64.18 2k1q h THR 177 Cb -0.12 1.89 -0.00 0.00 -1.73 0.00 0.00 68.15 68.19 2k1q h THR 177 CO -0.07 0.61 -0.23 0.74 -0.25 0.00 0.00 175.52 176.32 2k1q h THR 178 N 0.58 1.33 -0.94 6.82 2.02 -0.90 -3.01 112.91 118.80 2k1q h THR 178 Ca -0.04 -1.41 -0.00 0.00 0.77 0.00 0.00 66.41 65.73 2k1q h THR 178 Cb 1.35 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 69.48 2k1q h THR 178 CO 0.15 0.43 0.58 -0.03 0.37 0.00 0.00 175.52 177.02 2k1q h MET 179 N 0.20 1.28 -0.99 6.66 -1.53 -0.32 -2.01 114.93 118.21 2k1q h MET 179 Ca 0.03 -0.11 0.01 0.00 -3.44 0.00 0.00 59.70 56.18 2k1q h MET 179 Cb 0.79 -0.27 -0.05 0.00 -0.55 0.00 0.00 31.60 31.52 2k1q h MET 179 CO 0.06 0.89 0.65 -0.09 0.14 0.00 0.00 176.91 178.55 2k1q h ARG 180 N 1.30 1.32 -0.45 0.39 2.43 -1.43 -2.53 114.38 115.41 2k1q h ARG 180 Ca 0.34 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 59.28 2k1q h ARG 180 Cb -0.07 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.18 2k1q h ARG 180 CO -0.06 0.88 -0.28 0.00 -1.51 0.00 0.00 179.97 178.99 2k1q h ALA 181 N 1.36 0.64 -0.55 2.80 0.00 -1.29 -3.48 119.26 118.73 2k1q h ALA 181 Ca 0.36 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k1q h ALA 181 Cb -0.14 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2k1q h ALA 181 CO -0.08 0.68 0.00 0.43 0.00 0.00 0.00 179.25 180.28 2k1q n SER 182 N -4.09 -1.65 -3.66 0.00 7.64 -0.81 -4.80 113.62 106.26 2k1q n SER 182 Ca -0.01 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.76 2k1q n SER 182 Cb 0.49 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.58 2k1q n SER 182 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2k1q s LYS 183 N 0.00 0.23 -0.12 1.43 2.20 -1.26 -5.02 119.74 117.20 2k1q s LYS 183 Ca 0.00 0.88 0.11 0.00 -0.36 0.00 0.00 55.97 56.60 2k1q s LYS 183 Cb 0.00 0.14 -0.15 0.00 -1.51 0.00 0.00 37.83 36.30 2k1q s LYS 183 CO 0.00 -0.27 0.04 1.63 -0.36 0.00 0.00 175.35 176.40 2k1q n LYS 184 N 5.34 1.95 -3.53 4.03 4.76 -1.26 -5.06 118.16 124.39 2k1q n LYS 184 Ca -0.08 -0.01 -0.11 0.00 -2.87 0.00 0.00 58.31 55.24 2k1q n LYS 184 Cb 0.50 -1.32 -0.03 0.00 -1.84 0.00 0.00 35.03 32.33 2k1q n LYS 184 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2k1q s LYS 185 N -2.30 1.17 0.00 1.97 -2.85 -1.26 -5.33 119.74 111.13 2k1q s LYS 185 Ca -0.06 -0.59 0.22 0.00 -1.00 0.00 0.00 55.97 54.54 2k1q s LYS 185 Cb 0.04 0.53 1.33 0.00 -2.06 0.00 0.00 37.83 37.66 2k1q s LYS 185 CO 0.51 -0.49 1.70 1.63 0.10 0.00 0.00 175.35 178.81