#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1q h GLY 23 N 0.00 1.40 -5.88 3.41 0.00 -2.09 -3.40 103.07 96.52 2k1q h GLY 23 Ca 0.00 -0.53 -0.63 0.00 0.00 0.00 0.00 47.33 46.17 2k1q h GLY 23 CO 0.00 0.52 -0.65 -1.60 0.00 0.00 0.00 176.54 174.80 2k1q s ARG 24 N -6.11 3.71 0.02 4.80 3.52 -1.26 -4.86 118.95 118.76 2k1q s ARG 24 Ca -0.13 -0.50 0.09 0.00 -0.13 0.00 0.00 55.73 55.06 2k1q s ARG 24 Cb 0.18 -2.95 -0.02 0.00 -1.56 0.00 0.00 34.95 30.60 2k1q s ARG 24 CO 0.82 0.25 -0.26 -0.51 -0.81 0.00 0.00 175.30 174.79 2k1q s ASP 25 N 0.35 3.04 -0.22 -2.12 1.01 -1.26 -5.05 116.67 112.42 2k1q s ASP 25 Ca -0.03 -0.53 -0.10 0.00 0.71 0.00 0.00 52.55 52.60 2k1q s ASP 25 Cb -0.14 -0.30 -0.05 0.00 1.01 0.00 0.00 42.92 43.44 2k1q s ASP 25 CO 0.03 0.28 0.14 -0.54 0.21 0.00 0.00 175.17 175.28 2k1q s LYS 26 N -0.95 4.14 -0.24 8.23 1.02 -1.26 -4.46 119.74 126.22 2k1q s LYS 26 Ca 0.11 -0.24 0.10 0.00 0.02 0.00 0.00 55.97 55.95 2k1q s LYS 26 Cb -0.10 -3.46 0.44 0.00 -0.52 0.00 0.00 37.83 34.19 2k1q s LYS 26 CO 0.01 0.21 1.26 0.09 -0.92 0.00 0.00 175.35 175.99 2k1q n ASN 27 N 3.82 2.53 0.00 2.83 3.02 -1.26 -5.03 115.26 121.17 2k1q n ASN 27 Ca -0.16 -3.86 0.00 0.00 -0.03 0.00 0.00 54.58 50.53 2k1q n ASN 27 Cb 0.52 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 2k1q n ASN 27 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2k1q n GLN 28 N -1.04 0.00 -4.14 3.52 7.27 -1.26 -4.39 117.38 117.34 2k1q n GLN 28 Ca 0.27 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 57.14 2k1q n GLN 28 Cb 0.79 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 33.28 2k1q n GLN 28 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2k1q s VAL 29 N 0.00 0.49 -0.06 1.69 0.11 -1.26 -5.01 120.40 116.36 2k1q s VAL 29 Ca 0.00 -0.10 0.05 0.00 -2.93 0.00 0.00 61.98 59.00 2k1q s VAL 29 Cb 0.00 -0.53 -0.07 0.00 -1.53 0.00 0.00 36.38 34.25 2k1q s VAL 29 CO 0.00 0.22 0.02 -0.62 -3.33 0.00 0.00 175.10 171.39 2k1q n GLU 30 N 4.05 3.00 -0.12 1.54 1.02 -1.26 -5.12 120.64 123.75 2k1q n GLU 30 Ca -0.25 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.89 2k1q n GLU 30 Cb 0.51 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 2k1q n GLU 30 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k1q n GLY 31 N 2.62 -0.86 0.27 0.62 0.00 -1.26 -4.82 105.19 101.76 2k1q n GLY 31 Ca -0.10 -1.10 0.13 0.00 0.00 0.00 0.00 46.02 44.96 2k1q n GLY 31 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2k1q h GLU 32 N 0.00 0.00 -5.19 1.61 4.11 -1.95 -3.41 114.58 109.75 2k1q h GLU 32 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.79 2k1q h GLU 32 Cb 0.00 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.03 2k1q h GLU 32 CO 0.00 0.10 -0.65 0.08 0.07 0.00 0.00 179.01 178.61 2k1q s VAL 33 N -4.25 4.02 0.17 -1.06 1.01 -1.26 -2.84 120.40 116.18 2k1q s VAL 33 Ca -0.03 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 61.74 2k1q s VAL 33 Cb 0.13 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2k1q s VAL 33 CO 0.58 0.45 -0.20 -1.10 0.00 0.00 0.00 175.10 174.82 2k1q s GLN 34 N 0.75 1.34 -0.21 2.72 -0.21 -1.21 -5.03 119.66 117.80 2k1q s GLN 34 Ca -0.00 -1.42 -0.20 0.00 0.02 0.00 0.00 55.36 53.76 2k1q s GLN 34 Cb -0.14 -1.50 -0.03 0.00 1.00 0.00 0.00 33.01 32.34 2k1q s GLN 34 CO 0.02 0.32 0.59 0.08 -2.12 0.00 0.00 175.29 174.17 2k1q s VAL 35 N -1.84 5.04 0.17 1.09 1.01 -1.26 -3.14 120.40 121.47 2k1q s VAL 35 Ca 0.16 1.08 0.11 0.00 0.00 0.00 0.00 61.98 63.33 2k1q s VAL 35 Cb -0.07 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2k1q s VAL 35 CO 0.07 0.11 -0.25 0.68 0.00 0.00 0.00 175.10 175.72 2k1q s VAL 36 N 1.96 2.28 0.20 2.92 -7.23 -0.96 -4.41 120.40 115.17 2k1q s VAL 36 Ca 0.26 -1.92 -0.03 0.00 -1.81 0.00 0.00 61.98 58.48 2k1q s VAL 36 Cb -0.16 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.70 2k1q s VAL 36 CO 0.10 -0.05 0.17 -0.44 -0.31 0.00 0.00 175.10 174.57 2k1q s SER 37 N -2.44 0.13 0.00 4.85 0.01 -0.01 -2.25 113.70 113.99 2k1q s SER 37 Ca 0.18 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 56.13 2k1q s SER 37 Cb -0.09 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2k1q s SER 37 CO 0.08 -0.87 0.00 0.41 0.41 0.00 0.00 173.24 173.27 2k1q n THR 38 N -0.27 0.00 -0.31 1.44 -1.04 0.10 -0.68 114.28 113.53 2k1q n THR 38 Ca 0.01 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.00 2k1q n THR 38 Cb 0.65 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 69.27 2k1q n THR 38 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k1q h ALA 39 N 1.00 1.11 0.00 2.41 0.00 -1.97 -3.35 119.26 118.45 2k1q h ALA 39 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k1q h ALA 39 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2k1q h ALA 39 CO 0.00 0.38 0.00 2.41 0.00 0.00 0.00 179.25 182.04 2k1q n THR 40 N -4.55 0.00 -4.25 0.00 -1.04 -1.26 -5.09 114.28 98.08 2k1q n THR 40 Ca 0.10 -0.14 -0.23 0.00 -2.04 0.00 0.00 64.05 61.74 2k1q n THR 40 Cb 0.09 1.22 -0.07 0.00 -1.82 0.00 0.00 70.33 69.75 2k1q n THR 40 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2k1q s GLN 41 N -0.20 2.40 -0.11 -2.82 2.00 -1.26 -5.14 119.66 114.54 2k1q s GLN 41 Ca 0.00 -1.37 -0.09 0.00 -2.00 0.00 0.00 55.36 51.90 2k1q s GLN 41 Cb 0.00 -2.23 0.03 0.00 0.80 0.00 0.00 33.01 31.62 2k1q s GLN 41 CO 0.00 0.35 0.27 -1.12 -0.50 0.00 0.00 175.29 174.29 2k1q s SER 42 N -3.72 -0.29 0.13 6.67 0.01 -1.26 0.02 113.70 115.26 2k1q s SER 42 Ca 0.32 0.56 -0.17 0.00 1.31 0.00 0.00 55.95 57.97 2k1q s SER 42 Cb -0.06 0.54 0.06 0.00 0.21 0.00 0.00 66.02 66.77 2k1q s SER 42 CO 0.21 -0.11 0.82 2.22 0.41 0.00 0.00 173.24 176.78 2k1q n PHE 43 N 3.21 -1.13 -4.29 2.43 -1.74 -0.95 -4.61 117.46 110.37 2k1q n PHE 43 Ca -0.15 -0.96 -0.23 0.00 -0.56 0.00 0.00 57.45 55.55 2k1q n PHE 43 Cb 0.57 0.47 -0.07 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 3.20 0.09 5.98 1.43 -0.99 -2.25 118.68 126.14 2k1q s LEU 44 Ca 0.18 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2k1q s LEU 44 Cb -0.02 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2k1q s LEU 44 CO 0.04 0.00 -0.06 0.00 0.23 0.00 0.00 176.35 176.56 2k1q s ALA 45 N -2.32 0.92 -0.02 4.21 0.00 -1.19 -3.75 121.76 119.62 2k1q s ALA 45 Ca 0.31 -1.33 0.06 0.00 0.00 0.00 0.00 51.96 51.01 2k1q s ALA 45 Cb -0.06 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 2k1q s ALA 45 CO 0.20 -0.24 -0.21 0.99 0.00 0.00 0.00 175.76 176.49 2k1q s THR 46 N -3.62 1.66 -0.41 0.00 2.01 -1.03 -3.33 115.64 110.92 2k1q s THR 46 Ca 0.11 -0.89 -0.19 0.00 0.31 0.00 0.00 61.69 61.03 2k1q s THR 46 Cb 0.05 -1.38 0.02 0.00 0.01 0.00 0.00 72.50 71.20 2k1q s THR 46 CO -0.05 0.47 0.53 0.00 -0.69 0.00 0.00 174.62 174.87 2k1q s VAL 48 N 2.43 2.53 -1.44 0.00 1.01 0.88 -1.76 120.40 124.05 2k1q s VAL 48 Ca 0.17 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 2k1q s VAL 48 Cb -0.16 -2.01 0.04 0.00 0.00 0.00 0.00 36.38 34.25 2k1q s VAL 48 CO 0.16 0.54 1.05 -3.20 0.00 0.00 0.00 175.10 173.65 2k1q n ASN 49 N 3.49 -5.80 -0.81 3.32 2.85 -1.26 -1.30 115.26 115.74 2k1q n ASN 49 Ca -0.19 -0.59 -0.11 0.00 -0.11 0.00 0.00 54.58 53.59 2k1q n ASN 49 Cb 0.53 -4.60 -0.05 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 -1.85 1.19 2.91 8.20 0.00 -1.26 -5.00 105.19 109.39 2k1q n GLY 50 Ca 0.01 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 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 0.62 0.44 1.61 1.01 -0.42 -3.24 120.40 118.04 2k1q s VAL 51 Ca 0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 61.98 61.58 2k1q s VAL 51 Cb 0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 36.38 35.66 2k1q s VAL 51 CO 0.00 0.24 1.06 0.00 0.00 0.00 0.00 175.10 176.40 2k1q s TRP 53 N -1.77 1.31 0.21 0.00 0.52 0.98 -2.58 118.94 117.60 2k1q s TRP 53 Ca 0.62 -0.49 -0.20 0.00 0.02 0.00 0.00 56.10 56.05 2k1q s TRP 53 Cb -0.20 -0.72 0.07 0.00 -1.15 0.00 0.00 33.47 31.47 2k1q s TRP 53 CO 0.25 0.09 0.98 -2.37 0.02 0.00 0.00 176.95 175.92 2k1q n THR 54 N 1.00 0.00 -3.00 2.01 5.66 -0.64 -2.46 114.28 116.85 2k1q n THR 54 Ca -0.19 -0.61 -0.27 0.00 -3.05 0.00 0.00 64.05 59.93 2k1q n THR 54 Cb 0.55 0.78 -0.01 0.00 -1.55 0.00 0.00 70.33 70.10 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 -2.08 4.97 0.05 1.08 0.11 -1.26 -1.98 120.40 121.29 2k1q s VAL 55 Ca 0.21 0.05 -0.16 0.00 -2.93 0.00 0.00 61.98 59.15 2k1q s VAL 55 Cb -0.03 -3.82 -0.19 0.00 -1.53 0.00 0.00 36.38 30.81 2k1q s VAL 55 CO 0.06 -0.62 1.22 0.22 -3.33 0.00 0.00 175.10 172.65 2k1q h TYR 56 N 0.80 0.83 0.00 1.54 3.20 -0.90 -2.41 116.97 120.02 2k1q h TYR 56 Ca -0.48 -0.39 -0.03 0.00 3.14 0.00 0.00 58.73 60.97 2k1q h TYR 56 Cb 1.20 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.35 2k1q h TYR 56 CO 0.57 1.20 -0.12 1.12 -1.64 0.00 0.00 178.16 179.28 2k1q h HIS 57 N 0.22 0.00 0.00 -3.82 2.07 -1.95 0.71 115.15 112.38 2k1q h HIS 57 Ca -0.06 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.46 2k1q h HIS 57 Cb 1.33 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.31 2k1q h HIS 57 CO 0.11 0.12 -0.07 0.78 -3.07 0.00 0.00 177.93 175.81 2k1q h GLY 58 N 1.88 0.00 0.00 6.13 0.00 -1.94 -3.42 103.07 105.72 2k1q h GLY 58 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 2k1q h GLY 58 CO 0.02 0.00 -1.21 0.00 0.00 0.00 0.00 176.54 175.35 2k1q n ALA 59 N -2.89 0.75 -0.41 3.60 0.00 -0.91 -4.85 120.51 115.79 2k1q n ALA 59 Ca -0.01 -0.53 0.03 0.00 0.00 0.00 0.00 53.44 52.93 2k1q n ALA 59 Cb 0.03 -0.37 -0.01 0.00 0.00 0.00 0.00 19.45 19.11 2k1q n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k1q n GLY 60 N 1.46 -1.89 2.41 0.00 0.00 0.25 -4.01 105.19 103.40 2k1q n GLY 60 Ca -0.28 -1.33 -0.40 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.13 7.88 -4.16 1.61 3.41 -1.26 -4.86 113.62 115.11 2k1q n SER 61 Ca 0.00 -2.72 -0.12 0.00 -0.26 0.00 0.00 58.87 55.78 2k1q n SER 61 Cb 0.10 -1.54 -0.09 0.00 -0.26 0.00 0.00 64.21 62.42 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 1.72 1.25 0.74 4.33 1.02 -1.26 -5.07 119.74 122.49 2k1q s LYS 62 Ca 0.63 -1.59 -0.13 0.00 0.02 0.00 0.00 55.97 54.91 2k1q s LYS 62 Cb 0.17 0.30 0.05 0.00 -0.52 0.00 0.00 37.83 37.83 2k1q s LYS 62 CO -0.07 -0.43 1.14 0.95 -0.92 0.00 0.00 175.35 176.02 2k1q s THR 63 N -4.13 2.82 -0.02 2.17 -4.23 -1.26 -4.61 115.64 106.38 2k1q s THR 63 Ca 0.37 0.34 0.07 0.00 -1.18 0.00 0.00 61.69 61.29 2k1q s THR 63 Cb 0.06 -2.79 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 2k1q s THR 63 CO 0.12 -0.28 -0.23 -0.22 -0.54 0.00 0.00 174.62 173.47 2k1q s LEU 64 N -5.46 2.26 -0.43 4.79 2.96 -0.71 -4.85 118.68 117.23 2k1q s LEU 64 Ca 0.68 -0.40 -0.19 0.00 -0.22 0.00 0.00 54.13 53.99 2k1q s LEU 64 Cb -0.22 -1.40 0.03 0.00 0.50 0.00 0.00 46.19 45.09 2k1q s LEU 64 CO 0.48 0.32 0.55 0.00 -1.32 0.00 0.00 176.35 176.38 2k1q s ALA 65 N -0.67 3.39 0.23 5.97 0.00 0.15 -0.29 121.76 130.53 2k1q s ALA 65 Ca 0.11 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2k1q s ALA 65 Cb -0.10 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2k1q s ALA 65 CO -0.00 -1.71 0.01 0.41 0.00 0.00 0.00 175.76 174.47 2k1q n GLY 66 N 5.08 3.84 0.25 0.00 0.00 -0.05 -0.83 105.19 113.47 2k1q n GLY 66 Ca -0.05 -2.28 0.03 0.00 0.00 0.00 0.00 46.02 43.72 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 0.28 0.01 1.61 0.13 -1.97 -2.37 132.00 129.69 2k1q h PRO 67 Ca -0.19 -0.05 -0.19 0.00 -0.87 0.00 0.00 66.00 64.70 2k1q h PRO 67 Cb 0.57 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.64 2k1q h PRO 67 CO 0.31 0.36 -0.89 0.87 -0.23 0.00 0.00 178.00 178.42 2k1q h LYS 68 N 0.27 0.07 0.00 0.86 1.57 -1.97 -3.50 116.57 113.87 2k1q h LYS 68 Ca 0.06 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2k1q h LYS 68 Cb 0.29 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2k1q h LYS 68 CO 0.01 0.91 0.00 0.41 -0.57 0.00 0.00 179.45 180.21 2k1q n GLY 69 N 0.97 0.70 3.75 3.86 0.00 -0.89 -5.08 105.19 108.50 2k1q n GLY 69 Ca -0.02 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 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 4.64 -0.10 1.61 0.04 -1.26 -0.88 135.00 137.06 2k1q s PRO 70 Ca 0.00 1.76 0.04 0.00 0.04 0.00 0.00 61.00 62.84 2k1q s PRO 70 Cb 0.00 -3.22 -0.00 0.00 0.04 0.00 0.00 34.50 31.32 2k1q s PRO 70 CO 0.00 0.19 -0.24 0.42 0.04 0.00 0.00 177.00 177.41 2k1q s ILE 71 N -0.87 2.07 0.24 0.56 1.01 0.60 -4.87 121.20 119.93 2k1q s ILE 71 Ca 0.46 -1.02 -0.25 0.00 0.00 0.00 0.00 60.65 59.84 2k1q s ILE 71 Cb -0.31 -1.78 -0.09 0.00 0.01 0.00 0.00 42.46 40.29 2k1q s ILE 71 CO 0.39 0.56 0.84 0.42 0.00 0.00 0.00 174.94 177.15 2k1q s THR 72 N 0.34 4.32 0.21 2.92 -4.23 -1.26 -1.74 115.64 116.21 2k1q s THR 72 Ca -0.19 1.70 -0.09 0.00 -1.18 0.00 0.00 61.69 61.94 2k1q s THR 72 Cb -0.18 -4.06 -0.07 0.00 1.34 0.00 0.00 72.50 69.53 2k1q s THR 72 CO 0.09 0.32 0.51 0.00 -0.54 0.00 0.00 174.62 175.00 2k1q s GLN 73 N -1.65 3.77 -0.03 3.99 -2.07 -1.26 -3.54 119.66 118.86 2k1q s GLN 73 Ca 0.43 0.20 0.04 0.00 -1.82 0.00 0.00 55.36 54.22 2k1q s GLN 73 Cb -0.21 -2.69 -0.06 0.00 -1.09 0.00 0.00 33.01 28.96 2k1q s GLN 73 CO 0.25 0.35 0.05 -1.33 -1.32 0.00 0.00 175.29 173.29 2k1q n MET 74 N -0.09 2.10 -5.31 9.60 2.81 -0.73 -4.90 117.12 120.61 2k1q n MET 74 Ca -0.00 -0.02 -0.31 0.00 -1.81 0.00 0.00 57.70 55.56 2k1q n MET 74 Cb 0.52 -1.12 -0.16 0.00 -0.71 0.00 0.00 33.22 31.75 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 -2.20 2.33 -0.02 2.03 2.02 -1.15 -5.00 117.35 115.36 2k1q s TYR 75 Ca -0.02 -0.44 -0.00 0.00 -0.37 0.00 0.00 57.07 56.24 2k1q s TYR 75 Cb 0.02 -1.50 0.03 0.00 -0.40 0.00 0.00 41.96 40.11 2k1q s TYR 75 CO 0.20 -0.04 0.04 0.99 -1.57 0.00 0.00 175.55 175.17 2k1q s THR 76 N -0.61 -0.06 -0.26 -0.71 2.01 -1.26 -2.17 115.64 112.59 2k1q s THR 76 Ca 0.10 0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.28 2k1q s THR 76 Cb -0.10 -0.10 0.09 0.00 0.01 0.00 0.00 72.50 72.40 2k1q s THR 76 CO -0.01 0.09 0.10 0.21 -0.69 0.00 0.00 174.62 174.32 2k1q s ASN 77 N 1.09 3.35 0.04 3.53 3.84 -0.79 -5.00 114.94 121.00 2k1q s ASN 77 Ca -0.09 -1.18 -0.19 0.00 0.21 0.00 0.00 52.86 51.61 2k1q s ASN 77 Cb -0.13 -0.48 -0.15 0.00 -0.55 0.00 0.00 41.25 39.94 2k1q s ASN 77 CO -0.03 -0.40 1.30 0.58 -2.79 0.00 0.00 177.10 175.76 2k1q h VAL 78 N 6.45 1.36 -0.01 -5.21 2.07 -1.96 0.20 116.25 119.15 2k1q h VAL 78 Ca -0.17 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 65.85 2k1q h VAL 78 Cb 1.05 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2k1q h VAL 78 CO 0.41 0.45 0.01 -0.78 0.02 0.00 0.00 177.57 177.67 2k1q h ASP 79 N 0.04 0.01 1.00 0.57 1.82 -1.97 -2.17 116.42 115.71 2k1q h ASP 79 Ca 0.01 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2k1q h ASP 79 Cb 0.84 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.84 2k1q h ASP 79 CO 0.06 0.01 -0.00 1.67 -1.61 0.00 0.00 179.24 179.37 2k1q n GLN 80 N -5.08 0.00 -3.70 0.28 -0.06 -1.24 -4.92 117.38 102.66 2k1q n GLN 80 Ca -0.07 -0.00 -0.24 0.00 -2.00 0.00 0.00 57.00 54.69 2k1q n GLN 80 Cb 0.03 -1.50 0.05 0.00 -4.06 0.00 0.00 30.24 24.76 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 -1.50 -3.49 -3.77 1.69 2.03 0.62 -4.88 116.55 107.25 2k1q n ASP 81 Ca 0.07 -0.72 -0.14 0.00 0.52 0.00 0.00 54.79 54.52 2k1q n ASP 81 Cb 0.34 -4.39 -0.15 0.00 -0.72 0.00 0.00 41.12 36.20 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 -6.94 1.02 0.17 -2.67 1.43 -0.74 -0.22 118.68 110.73 2k1q s LEU 82 Ca 0.32 0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.64 2k1q s LEU 82 Cb -0.15 0.16 -0.04 0.00 0.03 0.00 0.00 46.19 46.18 2k1q s LEU 82 CO 0.79 -0.12 -0.12 0.68 0.23 0.00 0.00 176.35 177.81 2k1q s VAL 83 N 0.97 1.35 0.07 -1.59 -7.23 -0.84 -1.88 120.40 111.24 2k1q s VAL 83 Ca -0.08 -2.11 0.01 0.00 -1.81 0.00 0.00 61.98 57.99 2k1q s VAL 83 Cb -0.11 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 2k1q s VAL 83 CO -0.04 -0.70 -0.05 -0.83 -0.31 0.00 0.00 175.10 173.17 2k1q s GLY 84 N -3.21 0.59 0.22 2.32 0.00 -0.92 -1.62 107.32 104.70 2k1q s GLY 84 Ca 0.19 -1.14 0.10 0.00 0.00 0.00 0.00 44.72 43.87 2k1q s GLY 84 CO 0.03 -1.23 -0.10 -0.98 0.00 0.00 0.00 173.10 170.82 2k1q s TRP 85 N -3.12 2.57 -0.39 1.90 0.51 -1.07 -1.77 118.94 117.57 2k1q s TRP 85 Ca 0.04 -0.25 -0.28 0.00 -2.12 0.00 0.00 56.10 53.49 2k1q s TRP 85 Cb 0.02 -1.20 -0.01 0.00 -0.81 0.00 0.00 33.47 31.47 2k1q s TRP 85 CO -0.05 0.58 1.74 -1.14 -0.51 0.00 0.00 176.95 177.57 2k1q s GLN 86 N -3.19 3.25 0.39 4.98 0.74 -1.23 -2.27 119.66 122.32 2k1q s GLN 86 Ca 0.27 1.20 -0.26 0.00 0.05 0.00 0.00 55.36 56.63 2k1q s GLN 86 Cb -0.07 -4.20 -0.09 0.00 1.10 0.00 0.00 33.01 29.75 2k1q s GLN 86 CO 0.16 -1.96 1.18 0.00 -0.55 0.00 0.00 175.29 174.13 2k1q s ALA 87 N 7.02 3.21 0.73 1.58 0.00 -1.20 -4.92 121.76 128.18 2k1q s ALA 87 Ca 0.74 1.00 -0.12 0.00 0.00 0.00 0.00 51.96 53.59 2k1q s ALA 87 Cb -0.19 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.57 2k1q s ALA 87 CO 0.31 -0.53 1.09 -1.25 0.00 0.00 0.00 175.76 175.39 2k1q s PRO 88 N -2.19 2.47 0.60 0.00 0.04 -1.26 -4.93 135.00 129.73 2k1q s PRO 88 Ca 0.55 1.23 -0.17 0.00 0.04 0.00 0.00 61.00 62.65 2k1q s PRO 88 Cb -0.32 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 2k1q s PRO 88 CO 0.41 -1.49 1.10 -1.25 0.04 0.00 0.00 177.00 175.81 2k1q s PRO 89 N -4.65 3.11 -0.53 0.56 0.04 -1.26 -3.48 135.00 128.78 2k1q s PRO 89 Ca 0.63 1.41 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2k1q s PRO 89 Cb -0.18 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2k1q s PRO 89 CO 0.51 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.96 2k1q n GLY 90 N -0.42 0.14 3.78 0.56 0.00 -1.26 -4.54 105.19 103.44 2k1q n GLY 90 Ca 0.10 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.31 3.52 0.60 4.61 0.00 -1.23 -4.71 121.76 122.25 2k1q s ALA 91 Ca 0.00 -1.21 -0.12 0.00 0.00 0.00 0.00 51.96 50.63 2k1q s ALA 91 Cb 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 23.12 21.75 2k1q s ALA 91 CO 0.00 0.53 1.02 1.03 0.00 0.00 0.00 175.76 178.34 2k1q s ARG 92 N -3.00 3.65 0.05 0.00 1.81 -1.26 -4.94 118.95 115.25 2k1q s ARG 92 Ca 0.30 0.76 -0.01 0.00 -1.72 0.00 0.00 55.73 55.07 2k1q s ARG 92 Cb -0.10 -2.09 -0.04 0.00 -0.45 0.00 0.00 34.95 32.26 2k1q s ARG 92 CO 0.23 -0.52 -0.03 -1.54 -0.68 0.00 0.00 175.30 172.76 2k1q s SER 93 N -4.03 0.49 -0.15 0.23 1.04 -1.26 -4.75 113.70 105.27 2k1q s SER 93 Ca 0.55 -0.99 -0.05 0.00 0.48 0.00 0.00 55.95 55.95 2k1q s SER 93 Cb -0.11 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 2k1q s SER 93 CO 0.51 -0.59 0.02 -0.76 0.98 0.00 0.00 173.24 173.39 2k1q s LEU 94 N -2.88 3.59 0.26 2.42 1.43 -0.72 -4.94 118.68 117.83 2k1q s LEU 94 Ca 0.06 0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 52.91 2k1q s LEU 94 Cb 0.07 -1.88 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 2k1q s LEU 94 CO -0.10 0.22 0.94 -0.89 0.23 0.00 0.00 176.35 176.75 2k1q s THR 95 N 0.08 4.11 0.96 5.49 2.01 -1.26 -4.46 115.64 122.57 2k1q s THR 95 Ca 0.03 2.01 -0.11 0.00 0.31 0.00 0.00 61.69 63.93 2k1q s THR 95 Cb -0.13 -4.24 0.17 0.00 0.01 0.00 0.00 72.50 68.31 2k1q s THR 95 CO 0.02 0.39 1.10 -2.16 -0.69 0.00 0.00 174.62 173.28 2k1q s PRO 96 N -1.44 0.73 -0.19 4.92 0.04 -1.26 0.27 135.00 138.08 2k1q s PRO 96 Ca 0.44 1.15 -0.22 0.00 0.04 0.00 0.00 61.00 62.40 2k1q s PRO 96 Cb -0.24 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 2k1q s PRO 96 CO 0.30 -2.70 0.69 0.00 0.04 0.00 0.00 177.00 175.33 2k1q n THR 98 N 4.70 3.33 -0.16 0.00 -1.04 -1.26 -4.67 114.28 115.19 2k1q n THR 98 Ca 0.00 -5.60 0.00 0.00 -2.04 0.00 0.00 64.05 56.41 2k1q n THR 98 Cb 0.49 -1.41 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 2k1q n THR 98 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k1q n GLY 100 N 0.00 0.50 3.72 0.00 0.00 -1.26 -4.90 105.19 103.25 2k1q n GLY 100 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.26 6.89 0.09 1.61 0.01 -1.26 -4.93 113.70 113.85 2k1q s SER 101 Ca 0.00 2.28 -0.13 0.00 1.31 0.00 0.00 55.95 59.40 2k1q s SER 101 Cb 0.00 -2.59 -0.19 0.00 0.21 0.00 0.00 66.02 63.46 2k1q s SER 101 CO 0.00 -0.59 1.26 0.28 0.41 0.00 0.00 173.24 174.60 2k1q h SER 102 N 6.54 0.94 -3.06 2.44 0.02 -1.92 -3.44 113.55 115.08 2k1q h SER 102 Ca -0.42 -0.67 -0.53 0.00 -0.84 0.00 0.00 61.79 59.33 2k1q h SER 102 Cb 1.21 -0.28 0.02 0.00 0.14 0.00 0.00 62.40 63.49 2k1q h SER 102 CO 0.84 1.47 0.71 -1.81 -1.14 0.00 0.00 176.83 176.90 2k1q s ASP 103 N -7.18 6.85 -0.01 3.07 1.01 -1.26 0.08 116.67 119.23 2k1q s ASP 103 Ca -0.10 2.32 0.04 0.00 0.71 0.00 0.00 52.55 55.51 2k1q s ASP 103 Cb 0.08 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 2k1q s ASP 103 CO 0.91 -0.63 -0.11 -0.76 0.21 0.00 0.00 175.17 174.79 2k1q s LEU 104 N 0.96 2.03 -0.21 1.23 1.43 0.21 -4.34 118.68 119.98 2k1q s LEU 104 Ca 0.63 -0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 53.46 2k1q s LEU 104 Cb -0.36 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 2k1q s LEU 104 CO 0.31 0.14 0.03 -0.31 0.23 0.00 0.00 176.35 176.75 2k1q s TYR 105 N -0.29 3.09 0.01 0.29 1.51 -0.39 -0.81 117.35 120.77 2k1q s TYR 105 Ca 0.04 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 2k1q s TYR 105 Cb -0.04 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 2k1q s TYR 105 CO -0.00 -0.19 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.06 2k1q s LEU 106 N 1.05 3.45 -0.22 -1.29 2.96 -1.21 -0.44 118.68 122.98 2k1q s LEU 106 Ca 0.03 -0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 53.84 2k1q s LEU 106 Cb -0.14 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 2k1q s LEU 106 CO 0.02 0.26 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.62 2k1q s VAL 107 N -1.11 3.68 0.57 1.68 1.01 -1.23 -3.50 120.40 121.51 2k1q s VAL 107 Ca 0.20 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2k1q s VAL 107 Cb -0.11 -2.68 0.06 0.00 0.00 0.00 0.00 36.38 33.64 2k1q s VAL 107 CO 0.11 0.41 0.79 0.42 0.00 0.00 0.00 175.10 176.82 2k1q s THR 108 N 1.41 2.53 -0.78 3.92 -4.23 -0.89 -4.60 115.64 113.01 2k1q s THR 108 Ca 0.05 -0.77 0.18 0.00 -1.18 0.00 0.00 61.69 59.97 2k1q s THR 108 Cb -0.14 -2.77 0.17 0.00 1.34 0.00 0.00 72.50 71.09 2k1q s THR 108 CO -0.01 0.00 1.55 -2.11 -0.54 0.00 0.00 174.62 173.51 2k1q n ARG 109 N -2.34 0.08 -0.63 3.99 1.85 -1.26 -2.44 116.66 115.91 2k1q n ARG 109 Ca 0.11 0.34 0.01 0.00 -1.00 0.00 0.00 57.85 57.31 2k1q n ARG 109 Cb 0.60 -1.66 0.24 0.00 -1.05 0.00 0.00 32.46 30.59 2k1q n ARG 109 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2k1q n HIS 110 N -1.81 1.48 -3.87 2.89 8.25 -1.26 -4.89 115.22 116.01 2k1q n HIS 110 Ca 0.03 -0.63 -0.29 0.00 -0.26 0.00 0.00 57.72 56.57 2k1q n HIS 110 Cb 0.18 -0.43 0.03 0.00 1.12 0.00 0.00 29.99 30.90 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 0.24 -1.29 -2.49 -1.41 0.00 -1.02 -4.98 120.51 109.57 2k1q n ALA 111 Ca 0.22 0.23 -0.25 0.00 0.00 0.00 0.00 53.44 53.63 2k1q n ALA 111 Cb 0.94 -4.68 -0.13 0.00 0.00 0.00 0.00 19.45 15.58 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 -3.31 2.64 -0.06 0.00 1.01 -1.26 -4.97 116.67 110.72 2k1q s ASP 112 Ca 0.66 -0.62 0.02 0.00 0.71 0.00 0.00 52.55 53.32 2k1q s ASP 112 Cb -0.32 -0.18 0.01 0.00 1.01 0.00 0.00 42.92 43.44 2k1q s ASP 112 CO 0.82 0.12 -0.11 0.54 0.21 0.00 0.00 175.17 176.75 2k1q s VAL 113 N -0.99 1.00 0.12 -1.27 0.11 -1.26 -2.09 120.40 116.03 2k1q s VAL 113 Ca 0.08 -0.41 0.10 0.00 -2.93 0.00 0.00 61.98 58.82 2k1q s VAL 113 Cb -0.10 -0.93 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 2k1q s VAL 113 CO 0.03 0.32 -0.26 0.27 -3.33 0.00 0.00 175.10 172.14 2k1q s ILE 114 N 0.64 2.14 -0.16 7.04 -4.36 -1.23 -4.96 121.20 120.31 2k1q s ILE 114 Ca -0.13 -1.71 -0.28 0.00 -0.26 0.00 0.00 60.65 58.27 2k1q s ILE 114 Cb -0.15 -1.90 -0.01 0.00 1.25 0.00 0.00 42.46 41.65 2k1q s ILE 114 CO 0.03 0.06 0.95 -2.16 0.24 0.00 0.00 174.94 174.06 2k1q s PRO 115 N -2.03 4.33 -0.17 0.37 0.04 -1.26 -3.31 135.00 132.97 2k1q s PRO 115 Ca 0.12 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.42 2k1q s PRO 115 Cb -0.10 -3.58 0.02 0.00 0.04 0.00 0.00 34.50 30.88 2k1q s PRO 115 CO 0.06 -0.41 -0.20 0.08 0.04 0.00 0.00 177.00 176.57 2k1q s VAL 116 N 2.39 2.11 0.46 -0.36 1.01 0.01 -4.09 120.40 121.93 2k1q s VAL 116 Ca 0.44 -0.93 -0.21 0.00 0.00 0.00 0.00 61.98 61.28 2k1q s VAL 116 Cb -0.17 -1.88 -0.09 0.00 0.00 0.00 0.00 36.38 34.24 2k1q s VAL 116 CO 0.13 0.54 1.01 -0.60 0.00 0.00 0.00 175.10 176.17 2k1q s ARG 117 N 1.21 3.98 -0.26 2.72 6.06 -1.18 -0.62 118.95 130.86 2k1q s ARG 117 Ca 0.03 1.29 -0.19 0.00 -2.50 0.00 0.00 55.73 54.36 2k1q s ARG 117 Cb -0.14 -2.16 -0.02 0.00 0.06 0.00 0.00 34.95 32.69 2k1q s ARG 117 CO -0.11 -0.27 0.58 0.50 -2.50 0.00 0.00 175.30 173.50 2k1q s ARG 118 N -3.15 4.09 -0.19 5.12 3.52 0.11 -1.57 118.95 126.89 2k1q s ARG 118 Ca 0.65 0.45 0.16 0.00 -0.13 0.00 0.00 55.73 56.86 2k1q s ARG 118 Cb -0.14 -3.65 0.56 0.00 -1.56 0.00 0.00 34.95 30.16 2k1q s ARG 118 CO 0.18 -0.38 1.46 0.54 -0.81 0.00 0.00 175.30 176.29 2k1q n ARG 119 N 5.62 3.12 -3.71 5.12 5.12 0.12 -4.94 116.66 127.11 2k1q n ARG 119 Ca -0.02 -2.88 0.00 0.00 -1.93 0.00 0.00 57.85 53.01 2k1q n ARG 119 Cb 0.49 -1.89 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 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 -0.40 -2.41 0.37 -0.13 0.00 -0.97 -4.77 105.19 96.88 2k1q n GLY 120 Ca 0.22 -1.24 -0.03 0.00 0.00 0.00 0.00 46.02 44.98 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 1.14 0.00 1.61 3.32 -1.96 -3.24 116.42 117.30 2k1q h ASP 121 Ca 0.00 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 2k1q h ASP 121 Cb 0.00 -0.29 -0.11 0.00 0.22 0.00 0.00 39.33 39.15 2k1q h ASP 121 CO 0.00 0.87 -0.54 -1.54 -1.72 0.00 0.00 179.24 176.31 2k1q n SER 122 N -4.36 1.20 -4.21 6.45 3.41 -1.26 -4.34 113.62 110.51 2k1q n SER 122 Ca 0.11 -2.68 -0.27 0.00 -0.26 0.00 0.00 58.87 55.76 2k1q n SER 122 Cb 0.05 -0.36 -0.16 0.00 -0.26 0.00 0.00 64.21 63.49 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 -1.39 1.70 0.15 4.33 6.06 -1.22 -1.46 118.95 127.11 2k1q s ARG 123 Ca 0.25 -0.73 -0.03 0.00 -2.50 0.00 0.00 55.73 52.73 2k1q s ARG 123 Cb 0.26 -1.62 -0.03 0.00 0.06 0.00 0.00 34.95 33.62 2k1q s ARG 123 CO -0.06 0.43 0.12 0.20 -2.50 0.00 0.00 175.30 173.48 2k1q s GLY 124 N -0.43 0.91 0.21 8.12 0.00 0.03 0.13 107.32 116.30 2k1q s GLY 124 Ca 0.07 -1.36 0.11 0.00 0.00 0.00 0.00 44.72 43.54 2k1q s GLY 124 CO -0.00 -1.24 -0.23 -1.35 0.00 0.00 0.00 173.10 170.27 2k1q s SER 125 N -3.04 3.44 -0.29 1.64 1.04 -0.61 -1.25 113.70 114.64 2k1q s SER 125 Ca 0.24 -0.90 -0.11 0.00 0.48 0.00 0.00 55.95 55.65 2k1q s SER 125 Cb 0.06 -0.26 -0.05 0.00 0.10 0.00 0.00 66.02 65.88 2k1q s SER 125 CO 0.02 0.10 0.20 -0.22 0.98 0.00 0.00 173.24 174.32 2k1q s LEU 126 N -2.85 4.07 0.20 2.42 2.96 0.31 -3.07 118.68 122.71 2k1q s LEU 126 Ca 0.23 -0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 54.00 2k1q s LEU 126 Cb -0.07 -2.12 0.11 0.00 0.50 0.00 0.00 46.19 44.61 2k1q s LEU 126 CO 0.11 -0.07 1.70 -0.07 -1.32 0.00 0.00 176.35 176.70 2k1q h LEU 127 N 8.38 1.07 -8.46 -0.68 4.07 -1.83 -3.41 115.31 114.46 2k1q h LEU 127 Ca -0.35 -0.25 -0.66 0.00 0.08 0.00 0.00 57.88 56.71 2k1q h LEU 127 Cb 1.19 -0.28 -0.27 0.00 1.08 0.00 0.00 40.66 42.38 2k1q h LEU 127 CO 0.56 1.05 -0.70 -0.94 -1.08 0.00 0.00 178.44 177.33 2k1q s SER 128 N -6.50 4.48 -0.04 -0.43 1.04 -1.26 -5.07 113.70 105.92 2k1q s SER 128 Ca -0.12 -0.35 -0.30 0.00 0.48 0.00 0.00 55.95 55.67 2k1q s SER 128 Cb 0.14 -1.78 -0.06 0.00 0.10 0.00 0.00 66.02 64.43 2k1q s SER 128 CO 0.85 -0.02 1.62 -2.16 0.98 0.00 0.00 173.24 174.51 2k1q s PRO 129 N 1.49 4.19 0.17 4.02 0.04 -1.26 -4.95 135.00 138.69 2k1q s PRO 129 Ca 0.06 2.16 0.06 0.00 0.04 0.00 0.00 61.00 63.31 2k1q s PRO 129 Cb -0.14 -3.91 -0.05 0.00 0.04 0.00 0.00 34.50 30.44 2k1q s PRO 129 CO -0.02 -0.81 -0.12 1.03 0.04 0.00 0.00 177.00 177.13 2k1q s ARG 130 N 3.76 1.15 0.76 4.56 1.81 -1.17 -4.93 118.95 124.89 2k1q s ARG 130 Ca 0.72 -1.50 -0.13 0.00 -1.72 0.00 0.00 55.73 53.10 2k1q s ARG 130 Cb -0.33 -0.79 0.05 0.00 -0.45 0.00 0.00 34.95 33.44 2k1q s ARG 130 CO 0.29 0.11 1.15 -1.25 -0.68 0.00 0.00 175.30 174.92 2k1q s PRO 131 N -3.71 2.10 0.47 3.54 0.04 -1.26 0.16 135.00 136.35 2k1q s PRO 131 Ca 0.19 1.50 0.24 0.00 0.04 0.00 0.00 61.00 62.97 2k1q s PRO 131 Cb 0.01 -1.85 1.18 0.00 0.04 0.00 0.00 34.50 33.88 2k1q s PRO 131 CO 0.03 -1.81 1.96 -0.39 0.04 0.00 0.00 177.00 176.83 2k1q h VAL 132 N -0.70 0.68 -1.01 -0.36 -1.51 -1.91 -2.90 116.25 108.55 2k1q h VAL 132 Ca -0.46 -0.82 0.01 0.00 -1.23 0.00 0.00 66.70 64.21 2k1q h VAL 132 Cb 1.26 1.52 -0.05 0.00 -2.13 0.00 0.00 31.29 31.89 2k1q h VAL 132 CO 0.49 0.19 0.67 0.28 -1.23 0.00 0.00 177.57 177.97 2k1q h SER 133 N 0.00 1.15 -1.00 4.19 0.02 -1.91 0.43 113.55 116.44 2k1q h SER 133 Ca -0.00 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2k1q h SER 133 Cb 0.50 -0.29 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 2k1q h SER 133 CO 0.02 0.83 0.66 0.22 -1.14 0.00 0.00 176.83 177.43 2k1q h TYR 134 N 1.36 1.26 0.00 3.45 3.20 -1.88 -2.33 116.97 122.02 2k1q h TYR 134 Ca 0.37 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 62.14 2k1q h TYR 134 Cb -0.15 -0.43 -0.02 0.00 1.54 0.00 0.00 36.73 37.67 2k1q h TYR 134 CO -0.00 0.80 -0.86 -0.07 -1.64 0.00 0.00 178.16 176.39 2k1q h LEU 135 N 1.36 0.00 -9.72 2.82 4.07 -1.51 -3.45 115.31 108.87 2k1q h LEU 135 Ca 0.37 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.80 2k1q h LEU 135 Cb -0.15 0.00 0.07 0.00 1.08 0.00 0.00 40.66 41.66 2k1q h LEU 135 CO -0.08 0.54 0.97 1.17 -1.08 0.00 0.00 178.44 179.96 2k1q n LYS 136 N -3.10 2.78 -0.40 1.13 3.00 0.15 -1.70 118.16 120.01 2k1q n LYS 136 Ca -0.02 1.00 0.00 0.00 -0.00 0.00 0.00 58.31 59.28 2k1q n LYS 136 Cb 0.78 -2.82 0.00 0.00 0.00 0.00 0.00 35.03 32.98 2k1q n LYS 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k1q n GLY 137 N 3.27 0.71 0.99 3.14 0.00 -1.26 -4.92 105.19 107.12 2k1q n GLY 137 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 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 4.08 -4.77 1.61 7.64 -0.69 -4.33 113.62 117.15 2k1q n SER 138 Ca 0.00 -3.01 -0.37 0.00 1.01 0.00 0.00 58.87 56.50 2k1q n SER 138 Cb 0.00 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 2k1q n SER 138 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k1q s SER 139 N -1.82 5.90 0.00 6.43 0.15 -1.26 -2.78 113.70 120.31 2k1q s SER 139 Ca 0.44 2.31 0.00 0.00 0.70 0.00 0.00 55.95 59.40 2k1q s SER 139 Cb 0.35 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 2k1q s SER 139 CO 0.10 -1.11 0.00 0.61 1.20 0.00 0.00 173.24 174.04 2k1q n GLY 140 N 0.39 2.23 3.74 9.45 0.00 -1.06 -2.34 105.19 117.60 2k1q n GLY 140 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.04 2.87 0.09 -0.02 0.00 -1.12 -3.99 107.32 103.12 2k1q s GLY 141 Ca 0.00 1.26 -0.05 0.00 0.00 0.00 0.00 44.72 45.94 2k1q s GLY 141 CO 0.00 1.72 0.32 2.56 0.00 0.00 0.00 173.10 177.70 2k1q s PRO 142 N -3.23 3.58 -0.39 2.90 0.04 -1.26 -1.89 135.00 134.74 2k1q s PRO 142 Ca 0.79 -0.14 -0.12 0.00 0.04 0.00 0.00 61.00 61.58 2k1q s PRO 142 Cb -0.39 -2.95 0.04 0.00 0.04 0.00 0.00 34.50 31.24 2k1q s PRO 142 CO 0.42 0.55 0.24 -0.51 0.04 0.00 0.00 177.00 177.74 2k1q s LEU 143 N -2.35 4.90 -0.16 -3.56 1.02 -0.19 -3.51 118.68 114.82 2k1q s LEU 143 Ca 0.36 -1.09 -0.09 0.00 0.02 0.00 0.00 54.13 53.33 2k1q s LEU 143 Cb -0.13 -2.05 -0.05 0.00 0.02 0.00 0.00 46.19 43.99 2k1q s LEU 143 CO 0.23 -0.44 0.14 -0.76 0.02 0.00 0.00 176.35 175.54 2k1q s LEU 144 N 1.56 4.30 0.77 1.79 1.02 0.41 0.70 118.68 129.22 2k1q s LEU 144 Ca 0.02 0.35 -0.11 0.00 0.02 0.00 0.00 54.13 54.42 2k1q s LEU 144 Cb -0.20 -2.09 0.05 0.00 0.02 0.00 0.00 46.19 43.98 2k1q s LEU 144 CO 0.06 0.29 1.09 0.00 0.02 0.00 0.00 176.35 177.81 2k1q h PRO 146 N -1.10 0.00 -0.37 0.00 0.13 -1.93 -0.59 132.00 128.14 2k1q h PRO 146 Ca -0.44 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.61 2k1q h PRO 146 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2k1q h PRO 146 CO 0.52 0.00 -0.11 1.03 -0.23 0.00 0.00 178.00 179.21 2k1q h SER 147 N 0.00 0.74 0.00 1.44 0.87 -1.96 -3.47 113.55 111.17 2k1q h SER 147 Ca 0.07 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2k1q h SER 147 Cb 0.88 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2k1q h SER 147 CO -0.00 0.94 0.00 0.61 -0.53 0.00 0.00 176.83 177.85 2k1q n GLY 148 N -0.16 1.02 3.07 5.77 0.00 -0.23 -5.15 105.19 109.51 2k1q n GLY 148 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.45 0.89 0.50 1.61 3.76 -1.26 -4.82 115.29 114.52 2k1q s HIS 149 Ca 0.00 -0.30 -0.23 0.00 -0.15 0.00 0.00 55.06 54.38 2k1q s HIS 149 Cb 0.00 -0.54 -0.06 0.00 1.11 0.00 0.00 32.58 33.09 2k1q s HIS 149 CO 0.00 -0.01 1.34 0.00 -0.85 0.00 0.00 174.74 175.22 2k1q s ALA 150 N -0.73 2.98 -0.01 -1.40 0.00 0.14 -1.79 121.76 120.96 2k1q s ALA 150 Ca -0.01 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.24 2k1q s ALA 150 Cb -0.07 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 2k1q s ALA 150 CO 0.00 -1.16 -0.01 0.28 0.00 0.00 0.00 175.76 174.88 2k1q n VAL 151 N -0.64 0.06 -3.89 0.00 0.31 0.22 0.96 118.33 115.35 2k1q n VAL 151 Ca 0.08 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2k1q n VAL 151 Cb 0.45 -0.59 0.01 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 3.39 0.51 3.20 2.92 0.00 -1.23 -0.61 105.19 113.37 2k1q n GLY 152 Ca -0.02 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.10 1.89 0.33 -0.61 1.01 -0.40 -1.02 121.20 120.30 2k1q s ILE 153 Ca 0.21 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.63 2k1q s ILE 153 Cb -0.01 -1.63 -0.11 0.00 0.01 0.00 0.00 42.46 40.72 2k1q s ILE 153 CO 0.02 0.52 1.56 0.12 0.00 0.00 0.00 174.94 177.16 2k1q s PHE 154 N 0.21 2.67 0.03 3.97 5.36 -0.79 -1.90 117.98 127.52 2k1q s PHE 154 Ca -0.13 0.93 0.00 0.00 -0.96 0.00 0.00 56.93 56.78 2k1q s PHE 154 Cb -0.16 -4.06 0.00 0.00 -0.34 0.00 0.00 43.02 38.46 2k1q s PHE 154 CO 0.06 -3.38 0.00 -2.13 -1.46 0.00 0.00 175.22 168.31 2k1q n ARG 155 N 1.45 0.00 -3.98 10.12 0.63 -0.82 -2.58 116.66 121.48 2k1q n ARG 155 Ca 0.05 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.90 2k1q n ARG 155 Cb 0.38 -0.47 -0.09 0.00 0.45 0.00 0.00 32.46 32.73 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 0.18 -0.05 5.13 0.00 -1.20 -4.94 121.76 118.88 2k1q s ALA 156 Ca 0.00 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.08 2k1q s ALA 156 Cb 0.00 0.37 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 2k1q s ALA 156 CO 0.00 -0.43 -0.23 0.00 0.00 0.00 0.00 175.76 175.10 2k1q s ALA 157 N -3.88 1.97 -0.26 0.00 0.00 -1.26 -1.34 121.76 116.99 2k1q s ALA 157 Ca 0.06 -0.95 -0.20 0.00 0.00 0.00 0.00 51.96 50.87 2k1q s ALA 157 Cb 0.07 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 2k1q s ALA 157 CO -0.10 0.39 0.62 0.08 0.00 0.00 0.00 175.76 176.74 2k1q s VAL 158 N -0.17 4.99 0.07 0.00 1.01 0.33 -4.98 120.40 121.64 2k1q s VAL 158 Ca -0.02 1.08 0.02 0.00 0.00 0.00 0.00 61.98 63.07 2k1q s VAL 158 Cb -0.12 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2k1q s VAL 158 CO 0.03 0.02 -0.08 0.00 0.00 0.00 0.00 175.10 175.06 2k1q s THR 160 N -2.19 0.96 -1.45 0.00 2.01 0.30 -4.78 115.64 110.50 2k1q s THR 160 Ca -0.01 -0.48 -0.10 0.00 0.31 0.00 0.00 61.69 61.41 2k1q s THR 160 Cb -0.04 -0.83 0.05 0.00 0.01 0.00 0.00 72.50 71.69 2k1q s THR 160 CO -0.01 0.28 0.73 0.54 -0.69 0.00 0.00 174.62 175.47 2k1q n ARG 161 N 3.06 -4.80 -1.49 4.92 5.12 -1.26 -0.71 116.66 121.51 2k1q n ARG 161 Ca -0.16 0.66 -0.06 0.00 -1.93 0.00 0.00 57.85 56.35 2k1q n ARG 161 Cb 0.55 -5.49 -0.02 0.00 -1.16 0.00 0.00 32.46 26.34 2k1q n ARG 161 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k1q n GLY 162 N -1.49 0.61 2.99 -0.13 0.00 -1.26 -5.02 105.19 100.89 2k1q n GLY 162 Ca -0.02 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.25 1.00 -0.17 1.61 1.01 0.12 -3.89 120.40 117.82 2k1q s VAL 163 Ca 0.00 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 2k1q s VAL 163 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 2k1q s VAL 163 CO 0.00 0.33 0.55 0.00 0.00 0.00 0.00 175.10 175.97 2k1q s ALA 164 N 0.72 3.52 -0.06 5.51 0.00 0.12 0.11 121.76 131.68 2k1q s ALA 164 Ca -0.14 -0.29 0.06 0.00 0.00 0.00 0.00 51.96 51.59 2k1q s ALA 164 Cb -0.15 -2.83 -0.08 0.00 0.00 0.00 0.00 23.12 20.06 2k1q s ALA 164 CO 0.03 -0.36 0.03 1.63 0.00 0.00 0.00 175.76 177.09 2k1q n LYS 165 N 4.56 2.82 -4.07 0.00 5.02 -0.85 -3.03 118.16 122.61 2k1q n LYS 165 Ca -0.04 -0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.16 2k1q n LYS 165 Cb 0.51 -1.17 -0.09 0.00 -0.02 0.00 0.00 35.03 34.25 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 -2.17 0.49 0.18 7.82 0.00 -1.15 0.11 121.76 127.04 2k1q s ALA 166 Ca -0.03 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.74 2k1q s ALA 166 Cb 0.02 0.62 -0.05 0.00 0.00 0.00 0.00 23.12 23.71 2k1q s ALA 166 CO 0.27 -0.47 0.03 0.14 0.00 0.00 0.00 175.76 175.73 2k1q s VAL 167 N -3.97 0.52 -0.04 0.00 -7.23 -0.38 -0.51 120.40 108.79 2k1q s VAL 167 Ca 0.15 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.39 2k1q s VAL 167 Cb 0.07 -2.19 -0.00 0.00 0.56 0.00 0.00 36.38 34.81 2k1q s VAL 167 CO -0.04 -0.39 -0.17 -0.62 -0.31 0.00 0.00 175.10 173.57 2k1q s ASP 168 N -3.17 2.10 0.02 4.85 -1.08 -0.45 -0.79 116.67 118.15 2k1q s ASP 168 Ca 0.26 -0.34 0.00 0.00 -0.52 0.00 0.00 52.55 51.95 2k1q s ASP 168 Cb 0.07 -0.54 -0.01 0.00 -1.46 0.00 0.00 42.92 40.97 2k1q s ASP 168 CO 0.05 0.16 -0.02 0.72 0.52 0.00 0.00 175.17 176.59 2k1q s PHE 169 N -0.00 0.21 -0.18 -5.34 -0.12 -0.53 -1.95 117.98 110.06 2k1q s PHE 169 Ca -0.03 -0.39 -0.20 0.00 -0.05 0.00 0.00 56.93 56.26 2k1q s PHE 169 Cb -0.11 -0.15 -0.03 0.00 -0.63 0.00 0.00 43.02 42.10 2k1q s PHE 169 CO 0.02 -0.14 0.59 0.14 -0.05 0.00 0.00 175.22 175.78 2k1q s VAL 170 N -1.08 5.07 0.86 -2.49 -7.23 -0.80 -4.21 120.40 110.52 2k1q s VAL 170 Ca -0.12 1.12 -0.10 0.00 -1.81 0.00 0.00 61.98 61.07 2k1q s VAL 170 Cb -0.07 -3.91 0.11 0.00 0.56 0.00 0.00 36.38 33.07 2k1q s VAL 170 CO -0.01 0.17 1.13 -2.16 -0.31 0.00 0.00 175.10 173.92 2k1q s PRO 171 N 1.58 1.48 0.59 4.82 0.04 -1.26 -1.27 135.00 140.98 2k1q s PRO 171 Ca 0.28 1.41 0.30 0.00 0.04 0.00 0.00 61.00 63.03 2k1q s PRO 171 Cb -0.16 -1.79 1.81 0.00 0.04 0.00 0.00 34.50 34.41 2k1q s PRO 171 CO 0.11 -2.27 2.25 0.28 0.04 0.00 0.00 177.00 177.41 2k1q h VAL 172 N -1.59 0.53 -0.92 -0.36 2.07 -1.21 -2.29 116.25 112.47 2k1q h VAL 172 Ca -0.43 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.10 2k1q h VAL 172 Cb 1.25 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 2k1q h VAL 172 CO 0.45 0.01 0.61 -0.08 0.02 0.00 0.00 177.57 178.57 2k1q h GLU 173 N 0.00 1.12 -1.00 1.57 4.81 -1.89 -1.95 114.58 117.24 2k1q h GLU 173 Ca -0.00 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2k1q h GLU 173 Cb 0.02 -0.25 -0.05 0.00 0.63 0.00 0.00 28.75 29.09 2k1q h GLU 173 CO 0.00 0.74 0.66 0.77 -0.73 0.00 0.00 179.01 180.46 2k1q h SER 174 N 1.16 1.15 -0.15 1.04 0.02 -1.76 -2.37 113.55 112.65 2k1q h SER 174 Ca 0.37 -0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 61.14 2k1q h SER 174 Cb 0.02 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 2k1q h SER 174 CO -0.11 0.84 -0.43 0.24 -1.14 0.00 0.00 176.83 176.22 2k1q h MET 175 N 1.36 0.69 -0.99 3.45 2.86 -1.50 -3.11 114.93 117.69 2k1q h MET 175 Ca 0.37 -0.38 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2k1q h MET 175 Cb -0.15 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.47 2k1q h MET 175 CO -0.08 0.99 0.66 1.49 1.06 0.00 0.00 176.91 181.03 2k1q h GLU 176 N 0.56 1.31 -0.48 1.72 4.81 -0.89 -2.26 114.58 119.35 2k1q h GLU 176 Ca 0.04 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 2k1q h GLU 176 Cb 0.98 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 2k1q h GLU 176 CO 0.09 0.87 -0.01 1.79 -0.73 0.00 0.00 179.01 181.02 2k1q h THR 177 N 1.35 1.24 -1.00 0.32 1.35 -1.41 -2.74 112.91 112.01 2k1q h THR 177 Ca 0.37 -1.02 0.01 0.00 -0.55 0.00 0.00 66.41 65.22 2k1q h THR 177 Cb -0.15 0.89 -0.05 0.00 -1.73 0.00 0.00 68.15 67.10 2k1q h THR 177 CO -0.08 0.36 0.66 0.74 -0.25 0.00 0.00 175.52 176.95 2k1q h THR 178 N 0.75 1.25 -0.35 6.82 2.02 -1.35 -2.14 112.91 119.91 2k1q h THR 178 Ca 0.14 -0.46 -0.11 0.00 0.77 0.00 0.00 66.41 66.75 2k1q h THR 178 Cb 0.46 -0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 2k1q h THR 178 CO 0.02 0.25 -0.23 0.24 0.37 0.00 0.00 175.52 176.17 2k1q h MET 179 N 1.35 0.69 -1.00 6.66 2.07 -1.30 -2.95 114.93 120.46 2k1q h MET 179 Ca 0.37 -0.27 0.01 0.00 -2.07 0.00 0.00 59.70 57.74 2k1q h MET 179 Cb -0.15 -0.04 -0.05 0.00 -1.87 0.00 0.00 31.60 29.50 2k1q h MET 179 CO -0.08 0.86 0.66 -0.09 1.07 0.00 0.00 176.91 179.33 2k1q h ARG 180 N 0.61 1.31 -1.01 1.72 9.65 -1.11 -2.27 114.38 123.27 2k1q h ARG 180 Ca 0.09 -0.08 0.01 0.00 -1.10 0.00 0.00 59.98 58.90 2k1q h ARG 180 Cb 0.71 -0.30 -0.05 0.00 -1.39 0.00 0.00 29.97 28.95 2k1q h ARG 180 CO 0.05 0.87 0.67 0.00 2.80 0.00 0.00 179.97 184.36 2k1q h ALA 181 N 1.37 1.28 -2.33 2.80 0.00 -1.31 -3.43 119.26 117.65 2k1q h ALA 181 Ca 0.37 -0.07 -0.51 0.00 0.00 0.00 0.00 54.91 54.70 2k1q h ALA 181 Cb -0.14 -0.41 0.11 0.00 0.00 0.00 0.00 17.79 17.35 2k1q h ALA 181 CO -0.08 0.67 0.35 -1.54 0.00 0.00 0.00 179.25 178.65 2k1q s SER 182 N -6.12 5.05 -0.07 0.00 1.04 -0.86 -4.94 113.70 107.80 2k1q s SER 182 Ca -0.13 1.69 0.10 0.00 0.48 0.00 0.00 55.95 58.09 2k1q s SER 182 Cb 0.18 -2.50 0.41 0.00 0.10 0.00 0.00 66.02 64.21 2k1q s SER 182 CO 0.82 -1.67 1.24 2.29 0.98 0.00 0.00 173.24 176.91 2k1q n LYS 183 N -3.28 2.59 -1.38 4.02 2.85 -1.26 -4.98 118.16 116.72 2k1q n LYS 183 Ca 0.08 -1.62 0.16 0.00 -1.05 0.00 0.00 58.31 55.89 2k1q n LYS 183 Cb 0.53 -1.64 -0.08 0.00 -0.65 0.00 0.00 35.03 33.19 2k1q n LYS 183 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2k1q n LYS 184 N 0.51 -3.01 -0.38 -1.58 4.81 -1.26 -4.37 118.16 112.88 2k1q n LYS 184 Ca 0.15 2.40 -0.02 0.00 -0.87 0.00 0.00 58.31 59.97 2k1q n LYS 184 Cb 0.57 -3.59 0.11 0.00 0.02 0.00 0.00 35.03 32.14 2k1q n LYS 184 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2k1q h LYS 185 N -1.40 1.33 0.00 1.64 1.57 -2.00 -3.55 116.57 114.15 2k1q h LYS 185 Ca -0.15 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2k1q h LYS 185 Cb 1.30 -0.30 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2k1q h LYS 185 CO 0.06 0.88 0.00 1.17 -0.57 0.00 0.00 179.45 180.99