#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 1.51 3.77 1.09 0.00 -1.26 -4.92 105.19 105.38 2k1q n GLY 23 Ca 0.00 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 2k1q n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k1q s ARG 24 N 0.00 4.25 0.52 1.61 3.52 -1.26 -4.97 118.95 122.62 2k1q s ARG 24 Ca 0.00 2.37 -0.19 0.00 -0.13 0.00 0.00 55.73 57.77 2k1q s ARG 24 Cb 0.00 -3.03 -0.07 0.00 -1.56 0.00 0.00 34.95 30.29 2k1q s ARG 24 CO 0.00 -0.33 1.07 -0.51 -0.81 0.00 0.00 175.30 174.72 2k1q s ASP 25 N -0.34 6.06 -0.13 -2.12 1.01 -1.26 -4.97 116.67 114.93 2k1q s ASP 25 Ca 0.51 2.00 0.15 0.00 0.71 0.00 0.00 52.55 55.91 2k1q s ASP 25 Cb -0.43 -2.56 0.32 0.00 1.01 0.00 0.00 42.92 41.27 2k1q s ASP 25 CO 0.57 -0.98 1.16 2.29 0.21 0.00 0.00 175.17 178.42 2k1q n LYS 26 N -1.21 1.06 -3.86 8.23 2.85 -1.26 -5.01 118.16 118.96 2k1q n LYS 26 Ca 0.10 -2.59 -0.35 0.00 -1.05 0.00 0.00 58.31 54.42 2k1q n LYS 26 Cb 0.52 -1.21 -0.14 0.00 -0.65 0.00 0.00 35.03 33.55 2k1q n LYS 26 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2k1q s ASN 27 N -2.67 4.52 0.14 -5.58 2.20 -1.26 -4.99 114.94 107.31 2k1q s ASN 27 Ca 0.31 -0.35 -0.11 0.00 -0.94 0.00 0.00 52.86 51.76 2k1q s ASN 27 Cb 0.30 -1.79 -0.04 0.00 -2.00 0.00 0.00 41.25 37.72 2k1q s ASN 27 CO -0.04 -0.03 1.49 -0.61 -2.94 0.00 0.00 177.10 174.97 2k1q h GLN 28 N 8.15 0.93 -5.23 3.55 4.15 -1.98 -3.45 115.11 121.23 2k1q h GLN 28 Ca -0.41 -0.47 -0.37 0.00 0.77 0.00 0.00 58.65 58.18 2k1q h GLN 28 Cb 1.16 0.01 -0.14 0.00 0.21 0.00 0.00 27.48 28.71 2k1q h GLN 28 CO 0.60 1.13 -0.72 0.14 -1.93 0.00 0.00 178.83 178.04 2k1q s VAL 29 N -4.46 1.36 0.00 2.39 -7.23 -1.26 -5.02 120.40 106.18 2k1q s VAL 29 Ca -0.11 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 57.95 2k1q s VAL 29 Cb 0.11 -1.91 0.00 0.00 0.56 0.00 0.00 36.38 35.14 2k1q s VAL 29 CO 0.87 -0.70 0.00 -0.62 -0.31 0.00 0.00 175.10 174.35 2k1q n GLU 30 N -0.26 0.00 0.00 4.82 -0.58 -1.26 -5.09 120.64 118.27 2k1q n GLU 30 Ca -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 2k1q n GLU 30 Cb 0.61 -0.36 0.00 0.00 -0.57 0.00 0.00 31.44 31.11 2k1q n GLU 30 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k1q n GLY 31 N 2.53 0.41 0.25 0.62 0.00 -1.26 -4.79 105.19 102.95 2k1q n GLY 31 Ca 0.00 -1.56 -0.08 0.00 0.00 0.00 0.00 46.02 44.38 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 0.68 -5.28 1.61 5.08 -1.91 -3.40 114.58 111.36 2k1q h GLU 32 Ca 0.00 -0.31 -0.66 0.00 -1.00 0.00 0.00 59.36 57.40 2k1q h GLU 32 Cb 0.00 -0.02 -0.28 0.00 0.50 0.00 0.00 28.75 28.96 2k1q h GLU 32 CO 0.00 0.90 -0.77 0.08 -1.00 0.00 0.00 179.01 178.22 2k1q s VAL 33 N -4.44 2.97 0.22 3.13 1.01 -1.26 -1.23 120.40 120.80 2k1q s VAL 33 Ca -0.08 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.30 2k1q s VAL 33 Cb 0.13 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 2k1q s VAL 33 CO 0.83 0.52 -0.16 -1.10 0.00 0.00 0.00 175.10 175.19 2k1q s GLN 34 N 0.51 1.41 -0.37 2.72 -0.21 -1.21 -5.04 119.66 117.47 2k1q s GLN 34 Ca -0.09 -1.63 -0.20 0.00 0.02 0.00 0.00 55.36 53.46 2k1q s GLN 34 Cb -0.16 -1.29 0.01 0.00 1.00 0.00 0.00 33.01 32.57 2k1q s GLN 34 CO 0.04 0.23 0.63 0.08 -2.12 0.00 0.00 175.29 174.15 2k1q s VAL 35 N -2.81 4.88 -0.02 1.09 1.01 -1.26 -3.16 120.40 120.13 2k1q s VAL 35 Ca 0.24 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.73 2k1q s VAL 35 Cb -0.02 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 2k1q s VAL 35 CO 0.09 -0.36 -0.05 0.68 0.00 0.00 0.00 175.10 175.45 2k1q s VAL 36 N 2.72 3.77 0.28 2.92 -7.23 -0.96 -4.40 120.40 117.49 2k1q s VAL 36 Ca 0.24 -0.66 0.03 0.00 -1.81 0.00 0.00 61.98 59.77 2k1q s VAL 36 Cb -0.14 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 2k1q s VAL 36 CO 0.16 0.44 0.17 -0.55 -0.31 0.00 0.00 175.10 175.00 2k1q s SER 37 N -1.29 1.23 0.21 4.85 0.15 -1.18 -1.63 113.70 116.03 2k1q s SER 37 Ca 0.16 -1.54 -0.05 0.00 0.70 0.00 0.00 55.95 55.22 2k1q s SER 37 Cb -0.11 0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 64.56 2k1q s SER 37 CO 0.06 -0.89 0.25 -0.89 1.20 0.00 0.00 173.24 172.97 2k1q s THR 38 N -3.72 0.01 -0.13 6.45 2.01 0.96 -3.41 115.64 117.82 2k1q s THR 38 Ca 0.37 -1.76 0.28 0.00 0.31 0.00 0.00 61.69 60.90 2k1q s THR 38 Cb 0.05 -2.32 0.30 0.00 0.01 0.00 0.00 72.50 70.55 2k1q s THR 38 CO 0.17 -0.06 1.86 0.00 -0.69 0.00 0.00 174.62 175.90 2k1q h ALA 39 N 2.52 1.00 0.00 7.40 0.00 -1.96 -3.27 119.26 124.95 2k1q h ALA 39 Ca -0.32 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.41 2k1q h ALA 39 Cb 1.24 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2k1q h ALA 39 CO 0.48 0.00 -1.66 2.41 0.00 0.00 0.00 179.25 180.48 2k1q n THR 40 N -2.57 0.66 -4.09 0.00 -1.04 -1.26 -5.09 114.28 100.90 2k1q n THR 40 Ca 0.00 -0.27 -0.11 0.00 -2.04 0.00 0.00 64.05 61.64 2k1q n THR 40 Cb 0.19 -0.90 -0.07 0.00 -1.82 0.00 0.00 70.33 67.73 2k1q n THR 40 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k1q s GLN 41 N -2.23 1.44 0.10 -2.82 0.00 -1.23 -5.18 119.66 109.75 2k1q s GLN 41 Ca -0.15 -1.44 0.07 0.00 -0.00 0.00 0.00 55.36 53.84 2k1q s GLN 41 Cb 0.04 0.39 -0.03 0.00 0.00 0.00 0.00 33.01 33.40 2k1q s GLN 41 CO 0.28 -0.56 -0.16 -1.54 0.00 0.00 0.00 175.29 173.31 2k1q s SER 42 N -3.09 2.10 0.20 12.60 1.04 -1.26 -0.03 113.70 125.26 2k1q s SER 42 Ca 0.30 -0.72 -0.16 0.00 0.48 0.00 0.00 55.95 55.85 2k1q s SER 42 Cb 0.02 -0.09 0.06 0.00 0.10 0.00 0.00 66.02 66.11 2k1q s SER 42 CO 0.11 -0.06 0.78 2.22 0.98 0.00 0.00 173.24 177.27 2k1q n PHE 43 N 0.90 -1.49 -4.24 5.02 -1.74 -0.65 -4.44 117.46 110.82 2k1q n PHE 43 Ca -0.18 -1.18 -0.29 0.00 -0.56 0.00 0.00 57.45 55.23 2k1q n PHE 43 Cb 0.55 0.58 -0.10 0.00 1.52 0.00 0.00 39.48 42.03 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 -1.12 -2.26 118.68 125.89 2k1q s LEU 44 Ca 0.17 -0.44 0.08 0.00 -1.03 0.00 0.00 54.13 52.91 2k1q s LEU 44 Cb -0.03 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 2k1q s LEU 44 CO 0.06 0.17 -0.15 0.00 0.23 0.00 0.00 176.35 176.66 2k1q s ALA 45 N -1.25 1.99 -0.09 4.21 0.00 -1.19 -3.19 121.76 122.25 2k1q s ALA 45 Ca 0.21 -1.62 0.05 0.00 0.00 0.00 0.00 51.96 50.60 2k1q s ALA 45 Cb -0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 2k1q s ALA 45 CO 0.13 0.09 -0.24 0.99 0.00 0.00 0.00 175.76 176.74 2k1q s THR 46 N -2.81 2.02 -0.59 0.00 2.01 -0.90 -3.31 115.64 112.07 2k1q s THR 46 Ca 0.21 -1.01 -0.22 0.00 0.31 0.00 0.00 61.69 60.98 2k1q s THR 46 Cb -0.02 -1.74 0.07 0.00 0.01 0.00 0.00 72.50 70.82 2k1q s THR 46 CO 0.07 0.56 0.84 0.00 -0.69 0.00 0.00 174.62 175.39 2k1q s VAL 48 N 3.49 3.74 -1.43 0.00 1.01 0.13 -2.16 120.40 125.19 2k1q s VAL 48 Ca 0.21 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 2k1q s VAL 48 Cb -0.18 -2.63 0.04 0.00 0.00 0.00 0.00 36.38 33.62 2k1q s VAL 48 CO 0.12 0.50 1.11 -3.20 0.00 0.00 0.00 175.10 173.63 2k1q n ASN 49 N 3.50 -5.82 -0.80 3.32 2.85 -1.26 -1.29 115.26 115.77 2k1q n ASN 49 Ca -0.18 -0.63 -0.10 0.00 -0.11 0.00 0.00 54.58 53.56 2k1q n ASN 49 Cb 0.53 -4.59 -0.04 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 -1.89 1.18 2.95 8.20 0.00 -1.26 -5.00 105.19 109.37 2k1q n GLY 50 Ca 0.02 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.39 0.80 0.44 1.61 1.01 -0.41 -3.23 120.40 118.24 2k1q s VAL 51 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 61.98 61.47 2k1q s VAL 51 Cb 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 36.38 35.52 2k1q s VAL 51 CO 0.00 0.28 1.05 0.00 0.00 0.00 0.00 175.10 176.43 2k1q s TRP 53 N -1.79 1.32 0.16 0.00 0.52 0.11 -2.62 118.94 116.64 2k1q s TRP 53 Ca 0.62 -0.51 -0.22 0.00 0.02 0.00 0.00 56.10 56.01 2k1q s TRP 53 Cb -0.20 -0.71 0.08 0.00 -1.15 0.00 0.00 33.47 31.48 2k1q s TRP 53 CO 0.24 0.10 1.04 -2.37 0.02 0.00 0.00 176.95 175.99 2k1q n THR 54 N 0.91 0.00 -3.16 2.01 5.66 -0.80 -2.12 114.28 116.77 2k1q n THR 54 Ca -0.18 -0.51 -0.28 0.00 -3.05 0.00 0.00 64.05 60.03 2k1q n THR 54 Cb 0.55 0.74 -0.02 0.00 -1.55 0.00 0.00 70.33 70.05 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 -2.06 4.99 0.10 1.08 0.11 -1.26 -2.11 120.40 121.24 2k1q s VAL 55 Ca 0.23 0.05 -0.15 0.00 -2.93 0.00 0.00 61.98 59.19 2k1q s VAL 55 Cb -0.03 -3.78 -0.09 0.00 -1.53 0.00 0.00 36.38 30.95 2k1q s VAL 55 CO 0.05 -0.49 1.41 0.22 -3.33 0.00 0.00 175.10 172.95 2k1q h TYR 56 N 1.18 0.83 0.00 1.54 3.20 -1.04 -3.05 116.97 119.63 2k1q h TYR 56 Ca -0.48 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.14 2k1q h TYR 56 Cb 1.20 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.30 2k1q h TYR 56 CO 0.57 1.00 0.00 1.12 -1.64 0.00 0.00 178.16 179.21 2k1q h HIS 57 N 0.42 0.00 0.24 -3.82 2.07 -1.95 0.87 115.15 112.97 2k1q h HIS 57 Ca 0.04 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.55 2k1q h HIS 57 Cb 0.87 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.86 2k1q h HIS 57 CO 0.07 0.00 -0.11 0.78 -3.07 0.00 0.00 177.93 175.60 2k1q h GLY 58 N 2.36 -0.33 0.68 6.13 0.00 -1.92 -3.38 103.07 106.60 2k1q h GLY 58 Ca 0.00 0.12 -0.33 0.00 0.00 0.00 0.00 47.33 47.13 2k1q h GLY 58 CO 0.00 -0.12 -1.70 0.00 0.00 0.00 0.00 176.54 174.72 2k1q h ALA 59 N -0.77 0.24 -0.60 3.60 0.00 -1.57 -3.45 119.26 116.72 2k1q h ALA 59 Ca -0.03 -1.20 -0.09 0.00 0.00 0.00 0.00 54.91 53.59 2k1q h ALA 59 Cb 0.41 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2k1q h ALA 59 CO 0.05 1.03 -0.11 0.41 0.00 0.00 0.00 179.25 180.63 2k1q n GLY 60 N 1.84 0.24 3.46 0.00 0.00 0.30 -3.80 105.19 107.24 2k1q n GLY 60 Ca -0.27 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 2k1q n GLY 60 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k1q n SER 61 N 1.15 -4.98 -3.41 1.61 2.88 -1.26 -5.01 113.62 104.59 2k1q n SER 61 Ca -0.05 -0.80 -0.20 0.00 -1.33 0.00 0.00 58.87 56.49 2k1q n SER 61 Cb 0.50 -4.52 -0.08 0.00 -0.75 0.00 0.00 64.21 59.35 2k1q n SER 61 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2k1q s LYS 62 N -5.17 1.75 0.34 -1.46 1.02 -1.25 -5.07 119.74 109.90 2k1q s LYS 62 Ca 0.35 -2.02 -0.29 0.00 0.02 0.00 0.00 55.97 54.03 2k1q s LYS 62 Cb -0.08 0.28 -0.10 0.00 -0.52 0.00 0.00 37.83 37.41 2k1q s LYS 62 CO 0.78 -0.64 1.37 0.95 -0.92 0.00 0.00 175.35 176.90 2k1q s THR 63 N -3.45 2.53 -0.12 2.17 -4.23 -1.26 -4.74 115.64 106.53 2k1q s THR 63 Ca 0.40 0.53 0.01 0.00 -1.18 0.00 0.00 61.69 61.44 2k1q s THR 63 Cb 0.02 -3.34 -0.01 0.00 1.34 0.00 0.00 72.50 70.52 2k1q s THR 63 CO 0.27 0.12 -0.15 -0.22 -0.54 0.00 0.00 174.62 174.10 2k1q s LEU 64 N -1.73 2.62 -0.44 4.79 1.98 -1.09 -4.85 118.68 119.95 2k1q s LEU 64 Ca 0.51 -0.36 -0.20 0.00 -2.89 0.00 0.00 54.13 51.19 2k1q s LEU 64 Cb -0.42 -1.58 0.03 0.00 0.66 0.00 0.00 46.19 44.88 2k1q s LEU 64 CO 0.55 0.17 0.60 0.00 -1.89 0.00 0.00 176.35 175.77 2k1q s ALA 65 N 0.34 3.37 0.00 5.97 0.00 -1.22 0.46 121.76 130.68 2k1q s ALA 65 Ca -0.12 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.49 2k1q s ALA 65 Cb -0.16 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2k1q s ALA 65 CO 0.06 -1.78 0.00 0.41 0.00 0.00 0.00 175.76 174.45 2k1q n GLY 66 N 5.07 4.39 0.15 0.00 0.00 0.22 -3.13 105.19 111.89 2k1q n GLY 66 Ca -0.04 -1.93 -0.03 0.00 0.00 0.00 0.00 46.02 44.02 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 0.09 0.00 1.61 0.13 -1.96 -3.10 132.00 128.77 2k1q h PRO 67 Ca 0.00 -0.06 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 2k1q h PRO 67 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 2k1q h PRO 67 CO 0.00 0.69 -0.58 1.57 -0.23 0.00 0.00 178.00 179.45 2k1q h LYS 68 N 0.06 0.00 0.00 0.86 2.10 -1.97 -3.50 116.57 114.12 2k1q h LYS 68 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2k1q h LYS 68 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2k1q h LYS 68 CO 0.09 0.20 0.00 0.41 -2.00 0.00 0.00 179.45 178.15 2k1q n GLY 69 N 1.20 0.37 3.82 0.07 0.00 -1.17 -5.08 105.19 104.41 2k1q n GLY 69 Ca 0.00 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.46 3.59 -0.01 1.61 0.04 -1.26 0.71 135.00 138.23 2k1q s PRO 70 Ca 0.00 1.08 0.03 0.00 0.04 0.00 0.00 61.00 62.15 2k1q s PRO 70 Cb 0.00 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 2k1q s PRO 70 CO 0.00 -0.58 -0.11 0.42 0.04 0.00 0.00 177.00 176.77 2k1q s ILE 71 N -2.57 0.88 -0.03 0.56 1.01 0.17 -4.84 121.20 116.37 2k1q s ILE 71 Ca 0.61 -0.48 -0.12 0.00 0.00 0.00 0.00 60.65 60.66 2k1q s ILE 71 Cb -0.13 -0.73 -0.05 0.00 0.01 0.00 0.00 42.46 41.55 2k1q s ILE 71 CO 0.36 0.25 0.33 -0.89 0.00 0.00 0.00 174.94 174.98 2k1q s THR 72 N -0.26 5.17 0.01 2.92 2.01 -1.26 -2.67 115.64 121.55 2k1q s THR 72 Ca 0.04 0.65 -0.15 0.00 0.31 0.00 0.00 61.69 62.55 2k1q s THR 72 Cb -0.04 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 2k1q s THR 72 CO -0.00 0.59 0.42 -1.58 -0.69 0.00 0.00 174.62 173.36 2k1q s GLN 73 N -1.07 3.93 -0.08 4.92 0.74 -1.26 -2.87 119.66 123.98 2k1q s GLN 73 Ca 0.21 0.43 0.07 0.00 0.05 0.00 0.00 55.36 56.12 2k1q s GLN 73 Cb -0.15 -3.22 -0.10 0.00 1.10 0.00 0.00 33.01 30.64 2k1q s GLN 73 CO 0.11 0.69 0.03 -1.33 -0.55 0.00 0.00 175.29 174.23 2k1q n MET 74 N 1.80 2.70 -5.19 1.67 2.81 -0.83 -4.89 117.12 115.19 2k1q n MET 74 Ca -0.14 -0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.43 2k1q n MET 74 Cb 0.52 -1.20 -0.15 0.00 -0.71 0.00 0.00 33.22 31.68 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 -2.19 2.44 -0.02 2.03 2.02 -1.17 -5.00 117.35 115.45 2k1q s TYR 75 Ca -0.04 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 2k1q s TYR 75 Cb 0.02 -1.54 0.02 0.00 -0.40 0.00 0.00 41.96 40.07 2k1q s TYR 75 CO 0.32 0.01 0.02 0.99 -1.57 0.00 0.00 175.55 175.33 2k1q s THR 76 N -0.62 -0.04 -0.33 -0.71 2.01 -1.26 -1.73 115.64 112.96 2k1q s THR 76 Ca 0.10 0.17 -0.01 0.00 0.31 0.00 0.00 61.69 62.26 2k1q s THR 76 Cb -0.10 -0.07 0.11 0.00 0.01 0.00 0.00 72.50 72.45 2k1q s THR 76 CO -0.00 0.07 0.15 0.21 -0.69 0.00 0.00 174.62 174.36 2k1q s ASN 77 N 0.85 3.58 0.14 3.53 3.04 -0.03 -4.99 114.94 121.07 2k1q s ASN 77 Ca -0.07 -1.75 -0.11 0.00 0.04 0.00 0.00 52.86 50.97 2k1q s ASN 77 Cb -0.10 -0.60 -0.05 0.00 -1.54 0.00 0.00 41.25 38.95 2k1q s ASN 77 CO -0.02 -0.38 1.46 0.58 -3.04 0.00 0.00 177.10 175.70 2k1q h VAL 78 N 6.00 1.27 -0.27 -5.21 2.07 -1.96 0.20 116.25 118.35 2k1q h VAL 78 Ca -0.10 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.84 2k1q h VAL 78 Cb 0.99 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2k1q h VAL 78 CO 0.42 0.53 0.18 -0.78 0.02 0.00 0.00 177.57 177.93 2k1q h ASP 79 N 0.75 0.31 -0.02 0.57 1.82 -1.96 -2.35 116.42 115.54 2k1q h ASP 79 Ca 0.05 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2k1q h ASP 79 Cb 1.01 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.94 2k1q h ASP 79 CO 0.10 0.22 0.00 0.00 -1.61 0.00 0.00 179.24 177.95 2k1q n GLN 80 N -4.90 1.67 -3.77 0.28 1.13 -1.21 -4.94 117.38 105.63 2k1q n GLN 80 Ca -0.02 -0.98 -0.24 0.00 -1.94 0.00 0.00 57.00 53.82 2k1q n GLN 80 Cb 0.03 -1.48 0.03 0.00 0.11 0.00 0.00 30.24 28.93 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 0.19 -2.50 -3.82 1.08 2.03 0.57 -4.88 116.55 109.22 2k1q n ASP 81 Ca 0.19 -0.80 -0.13 0.00 0.52 0.00 0.00 54.79 54.57 2k1q n ASP 81 Cb 0.36 -4.01 -0.14 0.00 -0.72 0.00 0.00 41.12 36.60 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 -6.90 1.44 0.18 -2.67 1.43 -0.44 -0.43 118.68 111.29 2k1q s LEU 82 Ca 0.24 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 2k1q s LEU 82 Cb -0.12 0.15 -0.05 0.00 0.03 0.00 0.00 46.19 46.20 2k1q s LEU 82 CO 0.82 -0.07 -0.00 0.68 0.23 0.00 0.00 176.35 178.01 2k1q s VAL 83 N 0.47 0.76 0.04 -1.59 -7.23 -0.90 -0.85 120.40 111.12 2k1q s VAL 83 Ca -0.04 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 58.11 2k1q s VAL 83 Cb -0.05 -2.15 -0.02 0.00 0.56 0.00 0.00 36.38 34.71 2k1q s VAL 83 CO -0.02 -0.46 0.03 -0.83 -0.31 0.00 0.00 175.10 173.51 2k1q s GLY 84 N -3.20 0.31 0.16 2.32 0.00 -0.70 -1.91 107.32 104.29 2k1q s GLY 84 Ca 0.25 -0.86 0.10 0.00 0.00 0.00 0.00 44.72 44.20 2k1q s GLY 84 CO 0.05 -0.98 -0.16 -0.98 0.00 0.00 0.00 173.10 171.03 2k1q s TRP 85 N -3.11 2.51 -0.40 1.90 0.51 -1.08 -1.97 118.94 117.30 2k1q s TRP 85 Ca -0.01 -0.27 -0.28 0.00 -2.12 0.00 0.00 56.10 53.43 2k1q s TRP 85 Cb 0.02 -1.27 -0.03 0.00 -0.81 0.00 0.00 33.47 31.38 2k1q s TRP 85 CO -0.07 0.46 1.93 -1.14 -0.51 0.00 0.00 176.95 177.62 2k1q s GLN 86 N -2.53 3.00 0.38 4.98 0.74 -1.14 -2.21 119.66 122.88 2k1q s GLN 86 Ca 0.21 1.30 -0.26 0.00 0.05 0.00 0.00 55.36 56.66 2k1q s GLN 86 Cb -0.09 -4.31 -0.09 0.00 1.10 0.00 0.00 33.01 29.62 2k1q s GLN 86 CO 0.12 -2.26 1.15 0.00 -0.55 0.00 0.00 175.29 173.75 2k1q s ALA 87 N 8.20 3.20 0.55 1.58 0.00 -1.20 -4.92 121.76 129.17 2k1q s ALA 87 Ca 0.81 0.93 -0.19 0.00 0.00 0.00 0.00 51.96 53.52 2k1q s ALA 87 Cb -0.21 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.50 2k1q s ALA 87 CO 0.30 -0.44 1.12 -1.25 0.00 0.00 0.00 175.76 175.49 2k1q s PRO 88 N -2.18 3.33 0.84 0.00 0.04 -1.26 -4.91 135.00 130.86 2k1q s PRO 88 Ca 0.55 1.58 -0.10 0.00 0.04 0.00 0.00 61.00 63.07 2k1q s PRO 88 Cb -0.30 -2.00 0.10 0.00 0.04 0.00 0.00 34.50 32.33 2k1q s PRO 88 CO 0.38 -0.86 1.12 -1.25 0.04 0.00 0.00 177.00 176.43 2k1q s PRO 89 N -3.34 1.65 -0.84 0.56 0.04 -1.26 -3.38 135.00 128.44 2k1q s PRO 89 Ca 0.72 1.38 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2k1q s PRO 89 Cb -0.23 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2k1q s PRO 89 CO 0.28 -2.13 0.00 0.41 0.04 0.00 0.00 177.00 175.60 2k1q n GLY 90 N -0.46 0.02 3.69 0.56 0.00 -1.26 -5.02 105.19 102.71 2k1q n GLY 90 Ca 0.11 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 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 3.29 0.26 4.61 0.00 -1.22 -4.58 121.76 121.65 2k1q s ALA 91 Ca 0.00 -1.11 -0.19 0.00 0.00 0.00 0.00 51.96 50.66 2k1q s ALA 91 Cb 0.00 -1.20 -0.09 0.00 0.00 0.00 0.00 23.12 21.84 2k1q s ALA 91 CO 0.00 0.70 0.75 0.50 0.00 0.00 0.00 175.76 177.71 2k1q s ARG 92 N -2.29 4.21 0.29 0.00 3.52 -1.26 -4.90 118.95 118.52 2k1q s ARG 92 Ca 0.26 0.85 0.03 0.00 -0.13 0.00 0.00 55.73 56.74 2k1q s ARG 92 Cb -0.12 -2.74 -0.04 0.00 -1.56 0.00 0.00 34.95 30.49 2k1q s ARG 92 CO 0.18 0.32 0.17 -1.54 -0.81 0.00 0.00 175.30 173.61 2k1q s SER 93 N -1.82 1.32 0.09 -2.12 1.04 -1.26 -3.50 113.70 107.45 2k1q s SER 93 Ca 0.47 -1.55 0.05 0.00 0.48 0.00 0.00 55.95 55.39 2k1q s SER 93 Cb -0.15 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.33 2k1q s SER 93 CO 0.20 -0.89 0.01 -0.76 0.98 0.00 0.00 173.24 172.77 2k1q s LEU 94 N -3.34 3.50 0.73 2.42 1.43 -0.92 -4.93 118.68 117.58 2k1q s LEU 94 Ca 0.37 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.29 2k1q s LEU 94 Cb 0.05 -2.22 0.12 0.00 0.03 0.00 0.00 46.19 44.17 2k1q s LEU 94 CO 0.18 0.18 1.01 0.42 0.23 0.00 0.00 176.35 178.37 2k1q s THR 95 N -1.31 2.19 0.45 5.49 -4.23 -1.26 -4.13 115.64 112.84 2k1q s THR 95 Ca 0.26 -0.50 -0.03 0.00 -1.18 0.00 0.00 61.69 60.23 2k1q s THR 95 Cb -0.12 -2.69 -0.03 0.00 1.34 0.00 0.00 72.50 71.00 2k1q s THR 95 CO 0.18 0.00 0.72 -2.16 -0.54 0.00 0.00 174.62 172.83 2k1q s PRO 96 N -5.20 3.47 0.18 3.99 0.04 -1.26 -0.33 135.00 135.89 2k1q s PRO 96 Ca 0.66 0.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.40 2k1q s PRO 96 Cb -0.06 -2.46 -0.09 0.00 0.04 0.00 0.00 34.50 31.93 2k1q s PRO 96 CO 0.45 -0.14 1.36 0.00 0.04 0.00 0.00 177.00 178.71 2k1q n THR 98 N 2.99 1.00 -0.37 0.00 5.66 -1.26 -4.83 114.28 117.47 2k1q n THR 98 Ca 0.08 -3.90 0.00 0.00 -3.05 0.00 0.00 64.05 57.18 2k1q n THR 98 Cb 0.42 0.02 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 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 -0.54 3.65 0.00 0.00 -1.26 -4.96 105.19 102.08 2k1q n GLY 100 Ca 0.00 0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.09 6.10 0.24 1.61 0.15 -1.26 -4.97 113.70 112.49 2k1q s SER 101 Ca 0.48 0.09 0.02 0.00 0.70 0.00 0.00 55.95 57.24 2k1q s SER 101 Cb -0.21 -2.11 0.29 0.00 -1.71 0.00 0.00 66.02 62.28 2k1q s SER 101 CO 0.59 0.04 1.61 0.77 1.20 0.00 0.00 173.24 177.46 2k1q h SER 102 N 7.66 0.43 -2.72 5.45 4.64 -1.95 -3.43 113.55 123.63 2k1q h SER 102 Ca -0.37 -0.20 -0.52 0.00 -0.47 0.00 0.00 61.79 60.22 2k1q h SER 102 Cb 1.17 -0.12 0.05 0.00 -0.31 0.00 0.00 62.40 63.19 2k1q h SER 102 CO 0.64 0.83 0.97 -1.81 -0.87 0.00 0.00 176.83 176.58 2k1q s ASP 103 N -6.88 6.45 0.04 4.97 1.01 -1.26 -2.05 116.67 118.96 2k1q s ASP 103 Ca -0.06 2.78 0.02 0.00 0.71 0.00 0.00 52.55 56.00 2k1q s ASP 103 Cb 0.12 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.43 2k1q s ASP 103 CO 0.80 -0.92 -0.08 -0.76 0.21 0.00 0.00 175.17 174.42 2k1q s LEU 104 N 1.17 2.26 -0.06 1.23 1.43 -0.17 -4.21 118.68 120.33 2k1q s LEU 104 Ca 0.73 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 2k1q s LEU 104 Cb -0.48 -0.19 -0.03 0.00 0.03 0.00 0.00 46.19 45.53 2k1q s LEU 104 CO 0.32 -0.20 -0.11 -0.31 0.23 0.00 0.00 176.35 176.28 2k1q s TYR 105 N -1.37 2.80 -0.01 0.29 1.51 -0.42 -0.50 117.35 119.65 2k1q s TYR 105 Ca -0.09 -0.08 0.05 0.00 -1.01 0.00 0.00 57.07 55.94 2k1q s TYR 105 Cb -0.10 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.06 2k1q s TYR 105 CO 0.01 0.25 -0.16 -1.17 -1.11 0.00 0.00 175.55 173.36 2k1q s LEU 106 N -0.77 2.65 -0.15 -1.29 2.96 -1.20 -0.64 118.68 120.25 2k1q s LEU 106 Ca 0.12 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 53.70 2k1q s LEU 106 Cb -0.11 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 2k1q s LEU 106 CO 0.01 0.31 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.60 2k1q s VAL 107 N -0.81 3.72 0.56 1.68 1.01 -1.22 -3.40 120.40 121.94 2k1q s VAL 107 Ca 0.13 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.74 2k1q s VAL 107 Cb -0.11 -2.62 0.05 0.00 0.00 0.00 0.00 36.38 33.70 2k1q s VAL 107 CO 0.03 0.50 0.40 0.35 0.00 0.00 0.00 175.10 176.38 2k1q n THR 108 N 3.51 0.00 0.29 3.92 -2.24 -1.21 -4.58 114.28 113.97 2k1q n THR 108 Ca -0.18 -2.23 0.13 0.00 -2.27 0.00 0.00 64.05 59.51 2k1q n THR 108 Cb 0.53 0.01 0.85 0.00 -2.10 0.00 0.00 70.33 69.61 2k1q n THR 108 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2k1q h ARG 109 N 0.00 0.00 -0.70 -0.78 3.08 -1.91 -1.02 114.38 113.04 2k1q h ARG 109 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.69 2k1q h ARG 109 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2k1q h ARG 109 CO 0.56 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 180.18 2k1q n HIS 110 N -4.01 0.94 -3.69 3.04 8.25 -1.26 -4.89 115.22 113.60 2k1q n HIS 110 Ca -0.03 -0.34 -0.28 0.00 -0.26 0.00 0.00 57.72 56.81 2k1q n HIS 110 Cb 0.08 -0.24 0.02 0.00 1.12 0.00 0.00 29.99 30.97 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 0.37 -1.19 -2.86 -1.41 0.00 -0.39 -4.95 120.51 110.08 2k1q n ALA 111 Ca 0.14 0.18 -0.37 0.00 0.00 0.00 0.00 53.44 53.39 2k1q n ALA 111 Cb 0.64 -4.04 -0.06 0.00 0.00 0.00 0.00 19.45 15.99 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 -3.09 6.26 -0.23 0.00 1.01 -1.26 -4.89 116.67 114.46 2k1q s ASP 112 Ca 0.57 0.43 -0.05 0.00 0.71 0.00 0.00 52.55 54.21 2k1q s ASP 112 Cb -0.28 -2.01 -0.01 0.00 1.01 0.00 0.00 42.92 41.63 2k1q s ASP 112 CO 0.70 0.40 -0.01 -0.69 0.21 0.00 0.00 175.17 175.79 2k1q s VAL 113 N -0.99 3.68 -0.17 -1.27 1.01 -1.26 -3.34 120.40 118.07 2k1q s VAL 113 Ca 0.15 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2k1q s VAL 113 Cb -0.12 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.58 2k1q s VAL 113 CO 0.04 0.39 -0.19 -0.51 0.00 0.00 0.00 175.10 174.83 2k1q s ILE 114 N 1.52 2.24 0.21 2.22 -1.16 -1.22 -4.94 121.20 120.07 2k1q s ILE 114 Ca 0.06 -0.90 -0.31 0.00 -0.51 0.00 0.00 60.65 59.00 2k1q s ILE 114 Cb -0.14 -1.93 -0.10 0.00 0.61 0.00 0.00 42.46 40.89 2k1q s ILE 114 CO -0.01 0.53 1.48 -2.16 -2.81 0.00 0.00 174.94 171.97 2k1q s PRO 115 N 1.11 4.25 -0.06 3.50 0.04 -1.26 -3.25 135.00 139.33 2k1q s PRO 115 Ca 0.00 2.30 0.02 0.00 0.04 0.00 0.00 61.00 63.36 2k1q s PRO 115 Cb -0.14 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.28 2k1q s PRO 115 CO -0.07 -0.48 -0.11 0.08 0.04 0.00 0.00 177.00 176.46 2k1q s VAL 116 N 0.48 1.01 -0.01 -0.36 1.01 0.35 -4.29 120.40 118.58 2k1q s VAL 116 Ca 0.63 -0.40 -0.23 0.00 0.00 0.00 0.00 61.98 61.97 2k1q s VAL 116 Cb -0.42 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 2k1q s VAL 116 CO 0.38 0.33 0.70 -0.60 0.00 0.00 0.00 175.10 175.91 2k1q s ARG 117 N 0.70 4.43 0.10 2.72 6.06 -1.02 -1.00 118.95 130.94 2k1q s ARG 117 Ca -0.14 0.92 -0.31 0.00 -2.50 0.00 0.00 55.73 53.70 2k1q s ARG 117 Cb -0.15 -3.39 -0.07 0.00 0.06 0.00 0.00 34.95 31.39 2k1q s ARG 117 CO 0.03 0.21 1.33 0.50 -2.50 0.00 0.00 175.30 174.86 2k1q s ARG 118 N 0.28 4.36 -0.04 5.12 3.52 -0.87 -0.50 118.95 130.82 2k1q s ARG 118 Ca 0.37 1.97 0.19 0.00 -0.13 0.00 0.00 55.73 58.13 2k1q s ARG 118 Cb -0.19 -3.28 -0.29 0.00 -1.56 0.00 0.00 34.95 29.63 2k1q s ARG 118 CO 0.20 -0.38 0.39 0.54 -0.81 0.00 0.00 175.30 175.24 2k1q n ARG 119 N 3.93 0.63 -1.13 5.12 5.12 0.20 -4.87 116.66 125.67 2k1q n ARG 119 Ca 0.11 -0.16 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 2k1q n ARG 119 Cb 0.44 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 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 1.45 1.48 0.38 -0.13 0.00 -0.50 -4.88 105.19 102.99 2k1q n GLY 120 Ca -0.06 -0.88 -0.02 0.00 0.00 0.00 0.00 46.02 45.07 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 1.16 0.00 1.61 3.32 -1.97 -3.21 116.42 117.32 2k1q h ASP 121 Ca 0.00 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 2k1q h ASP 121 Cb 0.00 -0.29 -0.10 0.00 0.22 0.00 0.00 39.33 39.16 2k1q h ASP 121 CO 0.00 0.84 -0.53 -1.54 -1.72 0.00 0.00 179.24 176.29 2k1q n SER 122 N -4.38 1.28 -4.18 6.45 3.41 -1.26 -4.41 113.62 110.53 2k1q n SER 122 Ca 0.12 -2.77 -0.25 0.00 -0.26 0.00 0.00 58.87 55.70 2k1q n SER 122 Cb 0.01 -0.37 -0.15 0.00 -0.26 0.00 0.00 64.21 63.44 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 -1.55 1.49 0.19 4.33 6.06 -1.21 -1.80 118.95 126.45 2k1q s ARG 123 Ca 0.27 -0.66 0.00 0.00 -2.50 0.00 0.00 55.73 52.84 2k1q s ARG 123 Cb 0.27 -1.44 -0.04 0.00 0.06 0.00 0.00 34.95 33.79 2k1q s ARG 123 CO -0.06 0.40 0.06 0.20 -2.50 0.00 0.00 175.30 173.40 2k1q s GLY 124 N -0.44 1.35 0.09 8.12 0.00 0.19 0.60 107.32 117.23 2k1q s GLY 124 Ca 0.07 -1.66 0.07 0.00 0.00 0.00 0.00 44.72 43.20 2k1q s GLY 124 CO -0.01 -1.48 -0.18 -1.35 0.00 0.00 0.00 173.10 170.08 2k1q s SER 125 N -3.18 2.12 -0.17 1.64 1.04 0.35 -1.64 113.70 113.85 2k1q s SER 125 Ca 0.31 -0.65 -0.07 0.00 0.48 0.00 0.00 55.95 56.01 2k1q s SER 125 Cb 0.07 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 2k1q s SER 125 CO 0.08 -0.01 0.07 -0.76 0.98 0.00 0.00 173.24 173.60 2k1q s LEU 126 N -1.83 3.91 0.23 2.42 1.02 0.27 -2.43 118.68 122.27 2k1q s LEU 126 Ca 0.02 0.14 -0.07 0.00 0.02 0.00 0.00 54.13 54.25 2k1q s LEU 126 Cb -0.10 -1.98 0.21 0.00 0.02 0.00 0.00 46.19 44.33 2k1q s LEU 126 CO 0.03 0.21 1.85 -0.07 0.02 0.00 0.00 176.35 178.39 2k1q h LEU 127 N 6.45 1.13 -8.99 1.79 4.07 -1.85 -3.43 115.31 114.48 2k1q h LEU 127 Ca -0.40 -0.11 -0.68 0.00 0.08 0.00 0.00 57.88 56.77 2k1q h LEU 127 Cb 1.17 -0.29 -0.21 0.00 1.08 0.00 0.00 40.66 42.42 2k1q h LEU 127 CO 0.70 0.92 -0.84 -0.94 -1.08 0.00 0.00 178.44 177.19 2k1q s SER 128 N -6.25 3.57 -1.19 -0.43 1.04 -1.26 -5.06 113.70 104.13 2k1q s SER 128 Ca -0.13 -0.67 -0.17 0.00 0.48 0.00 0.00 55.95 55.46 2k1q s SER 128 Cb 0.17 -0.36 0.11 0.00 0.10 0.00 0.00 66.02 66.03 2k1q s SER 128 CO 0.83 0.18 1.52 -2.16 0.98 0.00 0.00 173.24 174.59 2k1q s PRO 129 N -2.09 3.92 0.75 4.02 0.04 -1.26 -4.80 135.00 135.58 2k1q s PRO 129 Ca 0.16 -2.05 -0.11 0.00 0.04 0.00 0.00 61.00 59.04 2k1q s PRO 129 Cb -0.10 -5.28 0.04 0.00 0.04 0.00 0.00 34.50 29.20 2k1q s PRO 129 CO 0.08 -2.03 1.08 1.03 0.04 0.00 0.00 177.00 177.20 2k1q s ARG 130 N 3.25 2.49 0.53 4.56 1.81 -1.22 -4.50 118.95 125.87 2k1q s ARG 130 Ca 0.47 1.10 -0.20 0.00 -1.72 0.00 0.00 55.73 55.37 2k1q s ARG 130 Cb 0.00 -1.93 -0.06 0.00 -0.45 0.00 0.00 34.95 32.51 2k1q s ARG 130 CO 0.01 -1.46 1.14 -1.25 -0.68 0.00 0.00 175.30 173.06 2k1q s PRO 131 N -4.95 3.43 0.41 3.54 0.04 -1.26 -0.04 135.00 136.16 2k1q s PRO 131 Ca 0.60 1.65 0.07 0.00 0.04 0.00 0.00 61.00 63.36 2k1q s PRO 131 Cb -0.16 -2.08 0.84 0.00 0.04 0.00 0.00 34.50 33.14 2k1q s PRO 131 CO 0.56 -0.80 2.04 0.28 0.04 0.00 0.00 177.00 179.12 2k1q h VAL 132 N 1.32 1.11 -0.73 -0.36 2.07 -1.83 -2.05 116.25 115.79 2k1q h VAL 132 Ca -0.50 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 66.82 2k1q h VAL 132 Cb 1.26 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2k1q h VAL 132 CO 0.57 0.12 0.48 -1.28 0.02 0.00 0.00 177.57 177.48 2k1q h SER 133 N 0.54 0.73 -1.00 0.57 0.87 -1.91 -1.04 113.55 112.31 2k1q h SER 133 Ca 0.14 -0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2k1q h SER 133 Cb -0.02 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 61.72 2k1q h SER 133 CO -0.03 0.49 0.66 0.22 -0.53 0.00 0.00 176.83 177.64 2k1q h TYR 134 N 0.84 1.26 0.00 2.24 5.03 -1.74 -2.10 116.97 122.50 2k1q h TYR 134 Ca 0.30 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.62 2k1q h TYR 134 Cb 0.12 -0.43 -0.00 0.00 1.55 0.00 0.00 36.73 37.97 2k1q h TYR 134 CO -0.00 0.80 -0.22 -0.07 -1.32 0.00 0.00 178.16 177.35 2k1q h LEU 135 N 1.36 0.00 -9.94 2.82 4.07 -1.41 -3.45 115.31 108.76 2k1q h LEU 135 Ca 0.37 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.79 2k1q h LEU 135 Cb -0.15 0.00 0.11 0.00 1.08 0.00 0.00 40.66 41.70 2k1q h LEU 135 CO -0.08 0.08 0.79 0.29 -1.08 0.00 0.00 178.44 178.45 2k1q n LYS 136 N -3.06 2.71 -0.99 1.13 4.76 -0.48 -1.38 118.16 120.85 2k1q n LYS 136 Ca 0.03 0.95 0.00 0.00 -2.87 0.00 0.00 58.31 56.42 2k1q n LYS 136 Cb 0.57 -2.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.07 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 0.53 0.93 1.01 0.72 0.00 -1.26 -4.85 105.19 102.26 2k1q n GLY 137 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 3.16 -4.78 1.61 7.64 -0.48 -3.88 113.62 116.89 2k1q n SER 138 Ca 0.00 -1.95 -0.41 0.00 1.01 0.00 0.00 58.87 57.52 2k1q n SER 138 Cb 0.00 -0.14 -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 -0.24 -3.01 0.00 0.00 175.04 171.79 2k1q n SER 139 N 1.33 3.85 0.00 6.43 2.88 -1.26 -1.69 113.62 125.17 2k1q n SER 139 Ca 0.16 1.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.93 2k1q n SER 139 Cb 0.57 -1.63 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 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 0.46 2.82 3.71 0.46 0.00 -0.44 -2.77 105.19 109.43 2k1q n GLY 140 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 0.67 3.83 -0.02 0.00 -0.68 -3.87 105.19 103.12 2k1q n GLY 141 Ca 0.00 0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.02 4.11 -0.18 1.61 0.04 -1.26 -2.03 135.00 135.26 2k1q s PRO 142 Ca 0.57 0.67 -0.08 0.00 0.04 0.00 0.00 61.00 62.21 2k1q s PRO 142 Cb -0.53 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 2k1q s PRO 142 CO 0.61 0.43 0.07 -0.51 0.04 0.00 0.00 177.00 177.64 2k1q s LEU 143 N -2.00 3.86 -0.10 -3.56 1.02 -0.65 -3.46 118.68 113.78 2k1q s LEU 143 Ca 0.41 0.10 0.03 0.00 0.02 0.00 0.00 54.13 54.69 2k1q s LEU 143 Cb -0.16 -1.98 -0.01 0.00 0.02 0.00 0.00 46.19 44.07 2k1q s LEU 143 CO 0.20 0.18 -0.21 -0.76 0.02 0.00 0.00 176.35 175.77 2k1q s LEU 144 N 0.36 2.25 0.76 1.79 1.02 0.19 0.30 118.68 125.35 2k1q s LEU 144 Ca 0.04 -0.49 -0.11 0.00 0.02 0.00 0.00 54.13 53.59 2k1q s LEU 144 Cb -0.12 -1.46 0.05 0.00 0.02 0.00 0.00 46.19 44.68 2k1q s LEU 144 CO -0.00 0.18 1.09 0.00 0.02 0.00 0.00 176.35 177.64 2k1q h PRO 146 N -1.06 0.00 -0.83 0.00 0.13 -1.92 0.02 132.00 128.34 2k1q h PRO 146 Ca -0.44 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.37 0.77 -0.23 0.00 0.00 178.00 179.43 2k1q h SER 147 N 0.00 1.12 0.00 1.44 0.02 -1.94 -3.46 113.55 110.72 2k1q h SER 147 Ca 0.27 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2k1q h SER 147 Cb 1.34 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2k1q h SER 147 CO -0.00 0.96 0.00 0.61 -1.14 0.00 0.00 176.83 177.26 2k1q n GLY 148 N -0.95 1.34 3.14 -3.77 0.00 -0.01 -5.15 105.19 99.79 2k1q n GLY 148 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.98 1.01 0.33 1.61 3.76 -1.25 -4.86 115.29 113.91 2k1q s HIS 149 Ca 0.00 -0.51 -0.29 0.00 -0.15 0.00 0.00 55.06 54.11 2k1q s HIS 149 Cb 0.00 -0.57 -0.10 0.00 1.11 0.00 0.00 32.58 33.01 2k1q s HIS 149 CO 0.00 0.00 1.30 0.00 -0.85 0.00 0.00 174.74 175.19 2k1q s ALA 150 N -1.55 3.50 -0.01 -1.40 0.00 0.56 -1.55 121.76 121.30 2k1q s ALA 150 Ca -0.03 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.21 2k1q s ALA 150 Cb -0.09 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 2k1q s ALA 150 CO 0.01 -0.63 0.05 1.33 0.00 0.00 0.00 175.76 176.53 2k1q n VAL 151 N 0.82 0.04 -2.90 0.00 0.24 0.15 0.72 118.33 117.40 2k1q n VAL 151 Ca -0.00 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2k1q n VAL 151 Cb 0.42 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 2k1q n VAL 151 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k1q n GLY 152 N 2.43 -1.39 3.12 7.63 0.00 -1.24 -2.60 105.19 113.13 2k1q n GLY 152 Ca -0.01 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.85 1.15 0.21 -0.61 1.01 -1.09 -1.64 121.20 117.37 2k1q s ILE 153 Ca 0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 2k1q s ILE 153 Cb 0.00 -0.96 -0.09 0.00 0.01 0.00 0.00 42.46 41.43 2k1q s ILE 153 CO 0.00 0.32 1.24 0.12 0.00 0.00 0.00 174.94 176.63 2k1q s PHE 154 N -0.34 3.34 -0.02 3.97 5.36 -0.86 -2.53 117.98 126.90 2k1q s PHE 154 Ca 0.06 1.36 -0.03 0.00 -0.96 0.00 0.00 56.93 57.36 2k1q s PHE 154 Cb -0.06 -3.51 -0.02 0.00 -0.34 0.00 0.00 43.02 39.10 2k1q s PHE 154 CO -0.01 -1.48 -0.06 -2.13 -1.46 0.00 0.00 175.22 170.08 2k1q n ARG 155 N 2.34 0.10 -3.82 10.12 0.63 -1.12 -1.33 116.66 123.58 2k1q n ARG 155 Ca 0.04 0.04 -0.09 0.00 -0.92 0.00 0.00 57.85 56.93 2k1q n ARG 155 Cb 0.44 -0.67 -0.07 0.00 0.45 0.00 0.00 32.46 32.61 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 -2.11 -0.35 0.14 5.13 0.00 -1.21 -4.85 121.76 118.50 2k1q s ALA 156 Ca -0.06 -0.51 0.09 0.00 0.00 0.00 0.00 51.96 51.48 2k1q s ALA 156 Cb 0.02 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 2k1q s ALA 156 CO 0.08 -0.53 -0.16 0.00 0.00 0.00 0.00 175.76 175.15 2k1q s ALA 157 N -3.84 2.75 -0.23 0.00 0.00 -1.26 -2.23 121.76 116.95 2k1q s ALA 157 Ca 0.04 -1.41 -0.05 0.00 0.00 0.00 0.00 51.96 50.55 2k1q s ALA 157 Cb 0.04 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 2k1q s ALA 157 CO -0.11 0.55 0.00 0.08 0.00 0.00 0.00 175.76 176.28 2k1q s VAL 158 N -1.35 3.76 0.14 0.00 1.01 0.23 -4.97 120.40 119.23 2k1q s VAL 158 Ca 0.20 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.87 2k1q s VAL 158 Cb -0.10 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2k1q s VAL 158 CO 0.12 0.39 -0.11 0.00 0.00 0.00 0.00 175.10 175.49 2k1q n THR 160 N 0.07 1.32 -3.15 0.00 -1.04 -0.97 -4.84 114.28 105.67 2k1q n THR 160 Ca -0.12 0.19 -0.24 0.00 -2.04 0.00 0.00 64.05 61.84 2k1q n THR 160 Cb 0.59 -2.19 -0.05 0.00 -1.82 0.00 0.00 70.33 66.86 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 -4.18 2.03 -1.00 -2.82 1.74 -1.26 -4.84 116.66 106.34 2k1q n ARG 161 Ca -0.11 -4.13 0.00 0.00 -0.77 0.00 0.00 57.85 52.83 2k1q n ARG 161 Cb 0.42 -1.92 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 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 0.40 0.50 3.09 -0.13 0.00 -1.26 -5.02 105.19 102.76 2k1q n GLY 162 Ca 0.27 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 2k1q n GLY 162 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k1q s VAL 163 N -2.00 1.35 -0.22 1.61 -7.23 -1.26 -2.54 120.40 110.11 2k1q s VAL 163 Ca 0.00 -0.63 -0.16 0.00 -1.81 0.00 0.00 61.98 59.38 2k1q s VAL 163 Cb 0.00 -1.19 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 2k1q s VAL 163 CO 0.00 0.40 0.39 0.00 -0.31 0.00 0.00 175.10 175.58 2k1q s ALA 164 N 0.38 3.56 -0.10 1.32 0.00 0.94 -2.29 121.76 125.58 2k1q s ALA 164 Ca -0.11 -0.59 0.09 0.00 0.00 0.00 0.00 51.96 51.36 2k1q s ALA 164 Cb -0.14 -2.64 -0.13 0.00 0.00 0.00 0.00 23.12 20.21 2k1q s ALA 164 CO 0.04 -0.37 0.04 1.63 0.00 0.00 0.00 175.76 177.10 2k1q n LYS 165 N 4.64 2.30 -3.99 0.00 5.02 -0.92 -3.38 118.16 121.83 2k1q n LYS 165 Ca -0.08 -0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.11 2k1q n LYS 165 Cb 0.51 -1.26 -0.11 0.00 -0.02 0.00 0.00 35.03 34.15 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 -2.25 0.15 0.17 7.82 0.00 -1.22 0.97 121.76 127.40 2k1q s ALA 166 Ca -0.05 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.31 2k1q s ALA 166 Cb 0.03 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 2k1q s ALA 166 CO 0.42 -0.19 -0.12 0.14 0.00 0.00 0.00 175.76 176.01 2k1q s VAL 167 N -1.81 1.35 -0.09 0.00 -7.23 -0.65 -0.60 120.40 111.38 2k1q s VAL 167 Ca -0.13 -2.11 0.04 0.00 -1.81 0.00 0.00 61.98 57.97 2k1q s VAL 167 Cb -0.07 -1.91 0.00 0.00 0.56 0.00 0.00 36.38 34.96 2k1q s VAL 167 CO -0.02 -0.70 -0.21 -0.62 -0.31 0.00 0.00 175.10 173.24 2k1q s ASP 168 N -3.21 2.79 0.11 4.85 -1.08 -0.95 -0.64 116.67 118.55 2k1q s ASP 168 Ca 0.18 -0.50 0.03 0.00 -0.52 0.00 0.00 52.55 51.75 2k1q s ASP 168 Cb 0.01 -1.21 -0.04 0.00 -1.46 0.00 0.00 42.92 40.22 2k1q s ASP 168 CO 0.03 0.14 -0.08 0.72 0.52 0.00 0.00 175.17 176.50 2k1q s PHE 169 N 0.35 1.02 -0.18 -5.34 -0.71 -0.75 -2.81 117.98 109.56 2k1q s PHE 169 Ca -0.16 -0.86 -0.17 0.00 -1.04 0.00 0.00 56.93 54.70 2k1q s PHE 169 Cb -0.17 -0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 41.04 2k1q s PHE 169 CO 0.07 -0.07 0.43 0.08 -1.34 0.00 0.00 175.22 174.39 2k1q s VAL 170 N -3.51 5.19 0.79 -2.49 1.01 -1.05 -4.40 120.40 115.95 2k1q s VAL 170 Ca 0.13 0.80 -0.12 0.00 0.00 0.00 0.00 61.98 62.79 2k1q s VAL 170 Cb 0.04 -3.76 0.08 0.00 0.00 0.00 0.00 36.38 32.73 2k1q s VAL 170 CO -0.03 0.26 1.15 -2.16 0.00 0.00 0.00 175.10 174.33 2k1q s PRO 171 N 1.16 1.84 0.58 2.72 0.04 -1.26 -2.69 135.00 137.40 2k1q s PRO 171 Ca 0.21 1.54 0.28 0.00 0.04 0.00 0.00 61.00 63.07 2k1q s PRO 171 Cb -0.15 -1.82 1.77 0.00 0.04 0.00 0.00 34.50 34.34 2k1q s PRO 171 CO 0.08 -2.01 2.24 0.28 0.04 0.00 0.00 177.00 177.63 2k1q h VAL 172 N -0.97 0.57 -1.01 -0.36 2.07 -1.87 -2.19 116.25 112.49 2k1q h VAL 172 Ca -0.45 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.08 2k1q h VAL 172 Cb 1.27 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 2k1q h VAL 172 CO 0.48 0.00 0.67 -0.33 0.02 0.00 0.00 177.57 178.40 2k1q h GLU 173 N 0.00 1.33 -0.50 1.57 5.08 -1.89 -2.13 114.58 118.04 2k1q h GLU 173 Ca 0.00 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 2k1q h GLU 173 Cb 0.02 -0.30 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 2k1q h GLU 173 CO -0.00 0.88 -0.01 1.03 -1.00 0.00 0.00 179.01 179.91 2k1q h SER 174 N 1.36 0.81 -0.82 1.42 0.87 -1.75 -2.39 113.55 113.05 2k1q h SER 174 Ca 0.37 -0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2k1q h SER 174 Cb -0.16 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.55 2k1q h SER 174 CO -0.08 0.87 0.54 0.24 -0.53 0.00 0.00 176.83 177.88 2k1q h MET 175 N 0.78 1.09 -0.43 2.24 2.86 -1.44 -1.34 114.93 118.68 2k1q h MET 175 Ca 0.15 -0.07 -0.15 0.00 -2.06 0.00 0.00 59.70 57.57 2k1q h MET 175 Cb 0.48 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 2k1q h MET 175 CO 0.02 0.72 -0.31 1.49 1.06 0.00 0.00 176.91 179.89 2k1q h GLU 176 N 1.12 0.97 -0.89 1.72 4.57 -1.28 -3.02 114.58 117.77 2k1q h GLU 176 Ca 0.30 -0.47 -0.02 0.00 -1.18 0.00 0.00 59.36 57.99 2k1q h GLU 176 Cb -0.13 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.42 2k1q h GLU 176 CO -0.06 1.14 0.48 1.15 -1.18 0.00 0.00 179.01 180.53 2k1q h THR 177 N 0.81 1.26 -0.90 0.32 2.02 -1.00 -2.51 112.91 112.90 2k1q h THR 177 Ca 0.08 -0.66 0.01 0.00 0.77 0.00 0.00 66.41 66.61 2k1q h THR 177 Cb 0.90 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 2k1q h THR 177 CO 0.08 0.30 0.60 0.74 0.37 0.00 0.00 175.52 177.61 2k1q h THR 178 N 1.25 1.23 -0.36 3.16 2.02 -1.15 0.10 112.91 119.16 2k1q h THR 178 Ca 0.31 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2k1q h THR 178 Cb 0.04 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.34 2k1q h THR 178 CO -0.05 0.22 0.24 -0.03 0.37 0.00 0.00 175.52 176.27 2k1q h MET 179 N 1.22 0.47 -0.38 6.66 -1.53 -1.34 0.37 114.93 120.41 2k1q h MET 179 Ca 0.33 -0.03 -0.16 0.00 -3.44 0.00 0.00 59.70 56.40 2k1q h MET 179 Cb -0.14 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 30.80 2k1q h MET 179 CO -0.07 0.31 -0.41 -0.09 0.14 0.00 0.00 176.91 176.79 2k1q h ARG 180 N 0.48 0.94 0.00 0.39 2.43 -1.27 -2.92 114.38 114.44 2k1q h ARG 180 Ca 0.13 -0.51 -0.03 0.00 -0.81 0.00 0.00 59.98 58.76 2k1q h ARG 180 Cb -0.05 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2k1q h ARG 180 CO -0.03 1.16 -0.14 0.00 -1.51 0.00 0.00 179.97 179.46 2k1q h ALA 181 N 0.76 1.20 -1.00 2.80 0.00 -0.51 -2.87 119.26 119.64 2k1q h ALA 181 Ca 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2k1q h ALA 181 Cb 1.01 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2k1q h ALA 181 CO 0.10 0.17 0.66 0.77 0.00 0.00 0.00 179.25 180.96 2k1q h SER 182 N 0.00 1.16 -3.61 0.00 0.02 -0.72 -3.37 113.55 107.02 2k1q h SER 182 Ca -0.00 -0.03 -0.70 0.00 -0.84 0.00 0.00 61.79 60.21 2k1q h SER 182 Cb 0.43 -0.29 -0.26 0.00 0.14 0.00 0.00 62.40 62.42 2k1q h SER 182 CO 0.02 0.84 -0.54 -0.75 -1.14 0.00 0.00 176.83 175.25 2k1q s LYS 183 N -6.11 2.75 -0.20 3.45 2.20 -1.08 -5.05 119.74 115.69 2k1q s LYS 183 Ca -0.13 -1.12 -0.20 0.00 -0.36 0.00 0.00 55.97 54.16 2k1q s LYS 183 Cb 0.18 -3.64 0.05 0.00 -1.51 0.00 0.00 37.83 32.91 2k1q s LYS 183 CO 0.82 -0.69 0.56 0.21 -0.36 0.00 0.00 175.35 175.89 2k1q s LYS 184 N 1.50 0.69 0.11 4.03 2.47 -1.26 -4.96 119.74 122.32 2k1q s LYS 184 Ca 0.01 0.72 -0.12 0.00 -1.56 0.00 0.00 55.97 55.02 2k1q s LYS 184 Cb -0.19 0.33 0.02 0.00 -1.46 0.00 0.00 37.83 36.52 2k1q s LYS 184 CO 0.05 -0.10 0.29 -1.59 0.16 0.00 0.00 175.35 174.16 2k1q s LYS 185 N 0.15 0.95 0.00 4.03 -2.85 -1.26 -5.19 119.74 115.56 2k1q s LYS 185 Ca -0.01 -0.85 0.00 0.00 -1.00 0.00 0.00 55.97 54.11 2k1q s LYS 185 Cb -0.04 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 2k1q s LYS 185 CO 0.01 -0.34 0.00 0.36 0.10 0.00 0.00 175.35 175.49